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 2z3z_1_A DATA FIRST_RESID 54 DATA SEQUENCE VVGLQWMGDN YVFIEGDDLV FNKXXXXXXX TTRFSAADLN ALMXXXXXXX DATA SEQUENCE XXXXFPSFRT LDAGRGLVVL FTQGGLVGFD MLARKVTYLF DTNEETASLD DATA SEQUENCE FSPVGDRVAY VRNHNLYIAR GGKLGEGMSR AIAVTIDGTE TLVYGQAVHQ DATA SEQUENCE REFGIEKGTF WSPKGSCLAF YRMDQSMVKP TPIVDYHPLE AESKPLYYPM DATA SEQUENCE AGTPSHHVTV GIYHLATGKT VYLQTGEPKE KFLTNLSWSP DENILYVAEV DATA SEQUENCE NRAQNECKVN AYDAETGRFV RTLFVETDKH YVEPLHPLTF LPGSNNQFIW DATA SEQUENCE QSRRDGWNHL YLYDTTGRLI RQVTKGEWEV TNFAGFDPKG TRLYFESTEA DATA SEQUENCE SPLERHFYCI DIKGGKTKDL TPESGMHRTQ LSPDGSAIID IFQSPTVPRK DATA SEQUENCE VTVTNIGKGS HTLLEAKXXX XXXAMPEIRT GTIMAADGQT PLYYKLTMPL DATA SEQUENCE HFDPAKKYPV IVYVYGGPHA QLVTKTWXXX XGGWDIYMAQ KGYAVFTVDS DATA SEQUENCE RGSANRGAAF EQVIHRRLGQ TEMADQMCGV DFLKSQSWVD ADRIGVHGWS DATA SEQUENCE YGGFMTTNLM LTHGDVFKVG VAGGPVIDWN RYAIMYGERY FDAPQENPEG DATA SEQUENCE YDAANLLKRA GDLKGRLMLI HGAIDPVVVW QHSLLFLDAC VKARTYPDYY DATA SEQUENCE VYPSHEHNVM GPDRVHLYET ITRYFTDHL 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 54 V HA 0.000 nan 4.120 nan 0.000 0.244 54 V C 0.000 176.054 176.094 -0.067 0.000 1.182 54 V CA 0.000 62.194 62.300 -0.176 0.000 1.235 54 V CB 0.000 31.640 31.823 -0.306 0.000 1.184 55 V N 2.006 121.916 119.914 -0.007 0.000 2.539 55 V HA 0.371 4.492 4.120 0.002 0.000 0.300 55 V C 1.659 177.766 176.094 0.022 0.000 1.019 55 V CA 1.543 63.844 62.300 0.003 0.000 1.160 55 V CB 0.115 31.947 31.823 0.015 0.000 0.901 55 V HN 1.672 nan 8.190 nan 0.000 0.481 56 G N 3.543 112.328 108.800 -0.025 0.000 2.198 56 G HA2 -0.227 3.734 3.960 0.002 0.000 0.257 56 G HA3 -0.227 3.734 3.960 0.002 0.000 0.257 56 G C -0.200 174.702 174.900 0.004 0.000 1.042 56 G CA 0.089 45.166 45.100 -0.040 0.000 0.791 56 G HN 0.953 nan 8.290 nan 0.000 0.502 57 L N 0.950 122.170 121.223 -0.004 0.000 2.562 57 L HA 0.528 4.869 4.340 0.002 0.000 0.271 57 L C 0.537 177.366 176.870 -0.068 0.000 1.167 57 L CA 0.989 55.817 54.840 -0.021 0.000 0.917 57 L CB 0.177 42.182 42.059 -0.089 0.000 1.187 57 L HN 0.725 nan 8.230 nan 0.000 0.482 58 Q N 3.315 123.060 119.800 -0.092 0.000 2.804 58 Q HA 0.299 4.640 4.340 0.002 0.000 0.302 58 Q C -1.729 174.183 176.000 -0.148 0.000 0.885 58 Q CA -1.025 54.725 55.803 -0.088 0.000 0.759 58 Q CB 0.355 29.129 28.738 0.060 0.000 1.465 58 Q HN 0.495 nan 8.270 nan 0.000 0.432 59 W N 1.084 122.441 121.300 0.096 0.000 2.365 59 W HA 0.633 5.294 4.660 0.002 0.000 0.316 59 W C -0.181 176.397 176.519 0.098 0.000 1.164 59 W CA -0.488 56.919 57.345 0.102 0.000 1.204 59 W CB 1.525 31.033 29.460 0.079 0.000 1.213 59 W HN 0.361 nan 8.180 nan 0.000 0.539 60 M N 4.240 124.073 119.600 0.388 0.000 2.090 60 M HA 0.334 4.815 4.480 0.002 0.000 0.277 60 M C 0.639 177.102 176.300 0.271 0.000 0.935 60 M CA -0.136 55.331 55.300 0.279 0.000 0.966 60 M CB 1.425 34.170 32.600 0.242 0.000 1.635 60 M HN 0.813 nan 8.290 nan 0.000 0.446 61 G N 3.238 112.155 108.800 0.194 0.000 2.591 61 G HA2 -0.325 3.636 3.960 0.002 0.000 0.298 61 G HA3 -0.325 3.636 3.960 0.002 0.000 0.298 61 G C 0.072 175.060 174.900 0.146 0.000 1.195 61 G CA 0.754 45.930 45.100 0.127 0.000 0.989 61 G HN 0.881 nan 8.290 nan 0.000 0.551 62 D N 1.449 121.929 120.400 0.134 0.000 2.342 62 D HA 0.147 4.788 4.640 0.002 0.000 0.221 62 D C 0.343 176.841 176.300 0.331 0.000 1.101 62 D CA 0.011 54.099 54.000 0.147 0.000 0.837 62 D CB -0.423 40.413 40.800 0.060 0.000 0.938 62 D HN 0.407 nan 8.370 nan 0.000 0.508 63 N N 0.982 119.907 118.700 0.376 0.000 2.430 63 N HA 0.190 4.931 4.740 0.002 0.000 0.292 63 N C -0.553 175.165 175.510 0.348 0.000 1.051 63 N CA -0.610 52.630 53.050 0.317 0.000 0.917 63 N CB 1.277 39.931 38.487 0.278 0.000 1.164 63 N HN 0.262 nan 8.380 nan 0.000 0.484 64 Y N -0.802 119.506 120.300 0.013 0.000 2.310 64 Y HA 0.696 5.247 4.550 0.002 0.000 0.326 64 Y C -0.436 175.344 175.900 -0.199 0.000 1.151 64 Y CA -0.859 57.008 58.100 -0.388 0.000 1.195 64 Y CB 0.766 38.761 38.460 -0.774 0.000 1.210 64 Y HN 0.108 nan 8.280 nan 0.000 0.483 65 V N 5.282 125.153 119.914 -0.072 0.000 2.925 65 V HA 0.635 4.756 4.120 0.002 0.000 0.311 65 V C -0.837 175.235 176.094 -0.037 0.000 1.104 65 V CA -1.013 61.117 62.300 -0.283 0.000 0.954 65 V CB 1.764 33.308 31.823 -0.464 0.000 1.022 65 V HN 0.886 nan 8.190 nan 0.000 0.427 66 F N 1.682 121.492 119.950 -0.234 0.000 2.741 66 F HA 0.805 5.333 4.527 0.002 0.000 0.313 66 F C -1.258 174.427 175.800 -0.191 0.000 1.153 66 F CA -1.274 56.630 58.000 -0.159 0.000 0.931 66 F CB 1.238 40.178 39.000 -0.099 0.000 1.335 66 F HN 0.287 nan 8.300 nan 0.000 0.460 67 I N 1.153 121.759 120.570 0.061 0.000 2.498 67 I HA 0.347 4.518 4.170 0.002 0.000 0.301 67 I C -0.326 175.860 176.117 0.115 0.000 0.984 67 I CA -0.579 60.695 61.300 -0.043 0.000 1.204 67 I CB 1.725 39.732 38.000 0.011 0.000 1.362 67 I HN 0.680 nan 8.210 nan 0.000 0.471 68 E N 3.870 124.088 120.200 0.030 0.000 3.896 68 E HA 0.204 4.555 4.350 0.002 0.000 0.217 68 E C 0.882 177.519 176.600 0.062 0.000 1.150 68 E CA -0.091 56.360 56.400 0.085 0.000 1.338 68 E CB 0.986 30.734 29.700 0.080 0.000 1.242 68 E HN 1.035 nan 8.360 nan 0.000 0.435 69 G N 2.209 111.051 108.800 0.070 0.000 2.594 69 G HA2 -0.431 3.530 3.960 0.002 0.000 0.249 69 G HA3 -0.431 3.530 3.960 0.002 0.000 0.249 69 G C 0.922 175.880 174.900 0.096 0.000 1.006 69 G CA 1.788 46.931 45.100 0.071 0.000 0.656 69 G HN 0.552 nan 8.290 nan 0.000 0.565 70 D N -1.079 119.381 120.400 0.101 0.000 2.212 70 D HA 0.151 4.792 4.640 0.002 0.000 0.311 70 D C 0.083 176.482 176.300 0.165 0.000 1.091 70 D CA 0.455 54.522 54.000 0.111 0.000 0.910 70 D CB 0.546 41.377 40.800 0.051 0.000 1.707 70 D HN 0.271 nan 8.370 nan 0.000 0.522 71 D N 0.579 121.013 120.400 0.056 0.000 2.228 71 D HA 0.324 4.965 4.640 0.002 0.000 0.247 71 D C -0.786 175.306 176.300 -0.347 0.000 0.995 71 D CA -0.526 53.442 54.000 -0.054 0.000 0.903 71 D CB 2.311 43.070 40.800 -0.068 0.000 1.205 71 D HN 0.041 nan 8.370 nan 0.000 0.459 72 L N 1.720 122.593 121.223 -0.583 0.000 2.280 72 L HA 0.295 4.636 4.340 0.002 0.000 0.287 72 L C -1.037 175.523 176.870 -0.517 0.000 1.023 72 L CA -0.555 53.819 54.840 -0.776 0.000 0.819 72 L CB 1.427 42.858 42.059 -1.045 0.000 1.212 72 L HN 0.081 nan 8.230 nan 0.000 0.420 73 V N 5.619 125.061 119.914 -0.786 0.000 2.394 73 V HA 0.445 4.566 4.120 0.002 0.000 0.282 73 V C -0.419 175.232 176.094 -0.738 0.000 1.031 73 V CA -0.423 61.464 62.300 -0.688 0.000 0.881 73 V CB 1.103 32.319 31.823 -1.012 0.000 0.982 73 V HN 0.454 nan 8.190 nan 0.000 0.451 74 F N 3.387 123.129 119.950 -0.347 0.000 2.443 74 F HA 0.606 5.134 4.527 0.002 0.000 0.335 74 F C 0.528 176.127 175.800 -0.336 0.000 1.104 74 F CA -0.498 57.321 58.000 -0.303 0.000 1.013 74 F CB 1.515 40.396 39.000 -0.200 0.000 1.136 74 F HN 0.423 nan 8.300 nan 0.000 0.470 75 N N 1.191 119.679 118.700 -0.354 0.000 2.329 75 N HA 0.676 5.417 4.740 0.002 0.000 0.282 75 N C -0.673 174.596 175.510 -0.400 0.000 1.198 75 N CA -0.698 52.063 53.050 -0.481 0.000 0.790 75 N CB 2.210 40.190 38.487 -0.845 0.000 1.579 75 N HN 0.608 nan 8.380 nan 0.000 0.475 85 T N 4.143 118.700 114.554 0.006 0.000 2.916 85 T HA 0.786 5.137 4.350 0.002 0.000 0.292 85 T C -0.719 174.042 174.700 0.102 0.000 1.055 85 T CA -0.933 61.177 62.100 0.017 0.000 1.009 85 T CB 2.080 70.905 68.868 -0.071 0.000 1.118 85 T HN 0.672 nan 8.240 nan 0.000 0.497 86 R N 0.798 121.361 120.500 0.104 0.000 2.628 86 R HA 0.633 4.974 4.340 0.002 0.000 0.288 86 R C -2.028 174.423 176.300 0.251 0.000 0.980 86 R CA -0.802 55.378 56.100 0.134 0.000 0.891 86 R CB 1.543 31.874 30.300 0.051 0.000 1.188 86 R HN 0.724 nan 8.270 nan 0.000 0.450 87 F N 3.909 123.913 119.950 0.090 0.000 2.577 87 F HA 0.328 4.856 4.527 0.002 0.000 0.344 87 F C -0.339 175.574 175.800 0.188 0.000 1.145 87 F CA -0.594 57.493 58.000 0.146 0.000 0.996 87 F CB 1.372 40.531 39.000 0.266 0.000 1.248 87 F HN 0.607 nan 8.300 nan 0.000 0.447 88 S N 3.910 119.560 115.700 -0.083 0.000 2.652 88 S HA 0.578 5.049 4.470 0.002 0.000 0.270 88 S C 1.074 175.557 174.600 -0.194 0.000 1.243 88 S CA -0.205 57.969 58.200 -0.044 0.000 0.999 88 S CB 1.723 64.904 63.200 -0.031 0.000 0.973 88 S HN 0.853 nan 8.310 nan 0.000 0.544 89 A N 1.202 123.971 122.820 -0.085 0.000 2.024 89 A HA 0.159 4.480 4.320 0.002 0.000 0.220 89 A C 2.225 179.624 177.584 -0.309 0.000 1.164 89 A CA 1.689 53.522 52.037 -0.341 0.000 0.643 89 A CB -1.466 17.388 19.000 -0.242 0.000 0.806 89 A HN 1.285 nan 8.150 nan 0.000 0.451 90 A N -0.125 122.576 122.820 -0.199 0.000 1.935 90 A HA -0.021 4.300 4.320 0.002 0.000 0.214 90 A C 1.702 179.196 177.584 -0.150 0.000 1.178 90 A CA 1.427 53.376 52.037 -0.147 0.000 0.640 90 A CB -0.386 18.563 19.000 -0.084 0.000 0.825 90 A HN 0.415 nan 8.150 nan 0.000 0.447 91 D N 0.070 120.362 120.400 -0.181 0.000 2.106 91 D HA -0.185 4.456 4.640 0.002 0.000 0.191 91 D C 1.846 178.060 176.300 -0.142 0.000 0.997 91 D CA 1.585 55.517 54.000 -0.114 0.000 0.834 91 D CB -0.589 40.154 40.800 -0.096 0.000 0.956 91 D HN 0.346 nan 8.370 nan 0.000 0.448 92 L N 1.131 122.056 121.223 -0.498 0.000 2.017 92 L HA -0.121 4.220 4.340 0.002 0.000 0.208 92 L C 1.673 178.395 176.870 -0.246 0.000 1.073 92 L CA 1.733 56.326 54.840 -0.412 0.000 0.745 92 L CB -0.809 40.794 42.059 -0.760 0.000 0.894 92 L HN -0.045 nan 8.230 nan 0.000 0.432 93 N N -0.075 118.474 118.700 -0.252 0.000 2.205 93 N HA -0.165 4.576 4.740 0.002 0.000 0.186 93 N C 1.719 177.179 175.510 -0.084 0.000 1.015 93 N CA 1.342 54.292 53.050 -0.166 0.000 0.862 93 N CB -0.047 38.346 38.487 -0.156 0.000 0.986 93 N HN 0.558 nan 8.380 nan 0.000 0.429 94 A N 0.395 123.181 122.820 -0.057 0.000 2.070 94 A HA -0.040 4.281 4.320 0.002 0.000 0.220 94 A C 2.195 179.794 177.584 0.025 0.000 1.159 94 A CA 0.780 52.811 52.037 -0.010 0.000 0.656 94 A CB -0.293 18.710 19.000 0.006 0.000 0.800 94 A HN 0.299 nan 8.150 nan 0.000 0.453 95 L N -0.615 120.641 121.223 0.054 0.000 2.477 95 L HA 0.102 4.443 4.340 0.002 0.000 0.220 95 L C 1.037 177.968 176.870 0.101 0.000 1.106 95 L CA -0.405 54.509 54.840 0.123 0.000 0.851 95 L CB -0.280 41.951 42.059 0.286 0.000 0.994 95 L HN 0.316 nan 8.230 nan 0.000 0.462 109 P HA 0.222 nan 4.420 nan 0.000 0.271 109 P C -0.554 176.823 177.300 0.130 0.000 1.244 109 P CA -0.220 62.826 63.100 -0.089 0.000 0.793 109 P CB 0.866 32.442 31.700 -0.207 0.000 0.984 110 S N -0.322 115.436 115.700 0.097 0.000 2.584 110 S HA 0.594 5.065 4.470 0.002 0.000 0.273 110 S C -0.223 174.526 174.600 0.249 0.000 1.311 110 S CA -0.342 57.903 58.200 0.076 0.000 1.034 110 S CB -0.411 62.799 63.200 0.016 0.000 0.939 110 S HN 0.428 nan 8.310 nan 0.000 0.513 111 F N 0.492 120.567 119.950 0.208 0.000 2.662 111 F HA 0.693 5.221 4.527 0.002 0.000 0.312 111 F C -0.712 175.237 175.800 0.248 0.000 1.113 111 F CA -1.452 56.689 58.000 0.235 0.000 0.951 111 F CB 1.260 40.367 39.000 0.179 0.000 1.344 111 F HN 0.434 nan 8.300 nan 0.000 0.462 112 R N 1.074 121.878 120.500 0.506 0.000 2.387 112 R HA 0.543 4.884 4.340 0.002 0.000 0.314 112 R C -1.306 175.196 176.300 0.337 0.000 0.958 112 R CA -0.396 55.923 56.100 0.365 0.000 0.846 112 R CB 1.635 32.176 30.300 0.403 0.000 1.147 112 R HN 0.909 nan 8.270 nan 0.000 0.447 113 T N 5.910 120.661 114.554 0.328 0.000 2.794 113 T HA 0.190 4.541 4.350 0.002 0.000 0.296 113 T C 1.212 175.990 174.700 0.130 0.000 0.949 113 T CA -0.286 61.969 62.100 0.258 0.000 1.101 113 T CB 0.877 69.917 68.868 0.287 0.000 0.905 113 T HN 0.561 nan 8.240 nan 0.000 0.516 114 L N 1.614 122.866 121.223 0.048 0.000 2.425 114 L HA 0.319 4.660 4.340 0.002 0.000 0.215 114 L C 0.782 177.678 176.870 0.044 0.000 1.065 114 L CA 0.444 55.279 54.840 -0.008 0.000 0.842 114 L CB 0.401 42.358 42.059 -0.170 0.000 1.033 114 L HN 0.538 nan 8.230 nan 0.000 0.474 115 D N -0.327 120.107 120.400 0.058 0.000 2.319 115 D HA 0.269 4.910 4.640 0.002 0.000 0.237 115 D C 0.477 176.831 176.300 0.090 0.000 1.353 115 D CA 0.067 54.108 54.000 0.069 0.000 0.992 115 D CB 1.827 42.652 40.800 0.043 0.000 1.368 115 D HN 0.017 nan 8.370 nan 0.000 0.564 116 A N 2.475 125.366 122.820 0.118 0.000 1.933 116 A HA 0.006 4.327 4.320 0.002 0.000 0.218 116 A C 2.015 179.678 177.584 0.131 0.000 1.175 116 A CA 1.988 54.116 52.037 0.152 0.000 0.628 116 A CB -0.570 18.542 19.000 0.186 0.000 0.814 116 A HN 0.567 nan 8.150 nan 0.000 0.444 117 G N -0.417 108.439 108.800 0.093 0.000 2.440 117 G HA2 -0.223 3.738 3.960 0.002 0.000 0.218 117 G HA3 -0.223 3.738 3.960 0.002 0.000 0.218 117 G C 1.619 176.552 174.900 0.055 0.000 1.154 117 G CA 0.836 45.974 45.100 0.063 0.000 0.767 117 G HN 0.576 nan 8.290 nan 0.000 0.552 118 R N 0.112 120.641 120.500 0.048 0.000 2.334 118 R HA 0.210 4.551 4.340 0.002 0.000 0.216 118 R C 1.537 177.853 176.300 0.026 0.000 0.905 118 R CA 0.434 56.549 56.100 0.024 0.000 1.064 118 R CB 0.215 30.521 30.300 0.009 0.000 1.046 118 R HN 0.341 nan 8.270 nan 0.000 0.508 119 G N 2.411 111.250 108.800 0.065 0.000 2.305 119 G HA2 -0.272 3.689 3.960 0.002 0.000 0.287 119 G HA3 -0.272 3.689 3.960 0.002 0.000 0.287 119 G C -0.003 174.919 174.900 0.037 0.000 1.036 119 G CA 0.167 45.314 45.100 0.079 0.000 0.887 119 G HN 0.201 nan 8.290 nan 0.000 0.505 120 L N -0.194 121.045 121.223 0.027 0.000 2.276 120 L HA 0.687 5.028 4.340 0.002 0.000 0.286 120 L C 0.881 177.759 176.870 0.013 0.000 1.061 120 L CA -0.945 53.899 54.840 0.006 0.000 0.807 120 L CB 1.367 43.425 42.059 -0.001 0.000 1.177 120 L HN 0.257 nan 8.230 nan 0.000 0.429 121 V N 1.968 121.890 119.914 0.014 0.000 3.158 121 V HA 0.739 4.860 4.120 0.002 0.000 0.311 121 V C -0.922 175.154 176.094 -0.030 0.000 1.181 121 V CA -0.780 61.533 62.300 0.021 0.000 1.054 121 V CB 2.401 34.217 31.823 -0.012 0.000 1.085 121 V HN 0.421 nan 8.190 nan 0.000 0.446 122 V N 1.883 121.754 119.914 -0.071 0.000 2.656 122 V HA 0.673 4.794 4.120 0.002 0.000 0.307 122 V C -0.908 175.100 176.094 -0.144 0.000 1.051 122 V CA -0.587 61.599 62.300 -0.191 0.000 0.893 122 V CB 1.718 33.218 31.823 -0.539 0.000 0.999 122 V HN 0.883 nan 8.190 nan 0.000 0.426 123 L N 6.334 127.479 121.223 -0.131 0.000 2.322 123 L HA 0.581 4.922 4.340 0.002 0.000 0.281 123 L C -1.059 175.707 176.870 -0.173 0.000 1.014 123 L CA -0.290 54.525 54.840 -0.042 0.000 0.815 123 L CB 1.647 43.714 42.059 0.014 0.000 1.247 123 L HN 0.509 nan 8.230 nan 0.000 0.421 124 F N 1.295 121.302 119.950 0.095 0.000 2.390 124 F HA 0.451 4.979 4.527 0.002 0.000 0.361 124 F C 0.850 176.676 175.800 0.042 0.000 1.124 124 F CA -0.482 57.562 58.000 0.074 0.000 1.149 124 F CB 1.247 40.284 39.000 0.062 0.000 1.160 124 F HN 0.403 nan 8.300 nan 0.000 0.501 125 T N -0.448 114.198 114.554 0.153 0.000 2.916 125 T HA 0.666 5.017 4.350 0.002 0.000 0.292 125 T C -0.309 174.437 174.700 0.077 0.000 1.055 125 T CA -0.910 61.243 62.100 0.087 0.000 1.009 125 T CB 1.370 70.263 68.868 0.042 0.000 1.118 125 T HN 0.737 nan 8.240 nan 0.000 0.497 126 Q N 0.224 120.053 119.800 0.047 0.000 2.269 126 Q HA 0.443 4.784 4.340 0.002 0.000 0.300 126 Q C 1.281 177.299 176.000 0.030 0.000 1.070 126 Q CA 0.355 56.178 55.803 0.033 0.000 0.957 126 Q CB -1.299 27.449 28.738 0.016 0.000 1.131 126 Q HN 2.620 nan 8.270 nan 0.000 0.377 127 G N 1.180 109.998 108.800 0.030 0.000 2.341 127 G HA2 0.339 4.300 3.960 0.002 0.000 0.278 127 G HA3 0.339 4.300 3.960 0.002 0.000 0.278 127 G C 1.017 175.939 174.900 0.037 0.000 1.111 127 G CA 0.736 45.851 45.100 0.026 0.000 0.982 127 G HN 2.802 nan 8.290 nan 0.000 0.502 128 G N -1.613 107.217 108.800 0.050 0.000 2.645 128 G HA2 0.196 4.157 3.960 0.002 0.000 0.645 128 G HA3 0.196 4.157 3.960 0.002 0.000 0.645 128 G C -0.255 174.698 174.900 0.087 0.000 1.304 128 G CA -0.380 44.761 45.100 0.067 0.000 0.885 128 G HN 1.334 nan 8.290 nan 0.000 0.526 129 L N -0.671 120.627 121.223 0.125 0.000 2.322 129 L HA 0.694 5.035 4.340 0.002 0.000 0.279 129 L C 0.268 177.258 176.870 0.199 0.000 1.036 129 L CA -1.188 53.722 54.840 0.116 0.000 0.807 129 L CB 1.802 43.957 42.059 0.160 0.000 1.226 129 L HN 0.448 nan 8.230 nan 0.000 0.433 130 V N 1.674 121.661 119.914 0.122 0.000 2.376 130 V HA 0.456 4.577 4.120 0.002 0.000 0.287 130 V C 0.591 176.795 176.094 0.182 0.000 1.015 130 V CA -0.590 61.799 62.300 0.148 0.000 0.834 130 V CB 1.463 33.342 31.823 0.093 0.000 1.001 130 V HN 0.887 nan 8.190 nan 0.000 0.428 131 G N 3.272 112.238 108.800 0.277 0.000 2.432 131 G HA2 0.515 4.476 3.960 0.002 0.000 0.257 131 G HA3 0.515 4.476 3.960 0.002 0.000 0.257 131 G C -1.250 173.776 174.900 0.211 0.000 1.238 131 G CA 0.014 45.267 45.100 0.254 0.000 0.838 131 G HN 0.502 nan 8.290 nan 0.000 0.547 132 F N 1.330 121.275 119.950 -0.008 0.000 2.574 132 F HA 0.324 4.852 4.527 0.002 0.000 0.313 132 F C -0.972 174.797 175.800 -0.053 0.000 1.130 132 F CA -1.171 56.811 58.000 -0.031 0.000 0.936 132 F CB 2.500 41.493 39.000 -0.011 0.000 1.219 132 F HN 0.394 nan 8.300 nan 0.000 0.445 133 D N 6.360 126.394 120.400 -0.611 0.000 2.380 133 D HA 0.161 4.802 4.640 0.002 0.000 0.230 133 D C 0.818 176.893 176.300 -0.375 0.000 1.154 133 D CA -0.151 53.615 54.000 -0.391 0.000 0.859 133 D CB 1.018 41.582 40.800 -0.392 0.000 1.045 133 D HN 0.500 nan 8.370 nan 0.000 0.495 134 M N 3.332 122.911 119.600 -0.035 0.000 2.419 134 M HA -0.021 4.460 4.480 0.002 0.000 0.264 134 M C 1.681 177.891 176.300 -0.150 0.000 1.082 134 M CA 0.605 55.953 55.300 0.079 0.000 1.119 134 M CB -0.141 32.589 32.600 0.217 0.000 1.398 134 M HN 0.498 nan 8.290 nan 0.000 0.453 135 L N -0.917 120.210 121.223 -0.160 0.000 2.162 135 L HA -0.002 4.339 4.340 0.002 0.000 0.205 135 L C 2.468 179.168 176.870 -0.283 0.000 1.086 135 L CA 0.843 55.545 54.840 -0.230 0.000 0.778 135 L CB -0.720 41.266 42.059 -0.122 0.000 0.928 135 L HN 0.194 nan 8.230 nan 0.000 0.446 136 A N -0.614 122.042 122.820 -0.273 0.000 2.132 136 A HA 0.020 4.341 4.320 0.002 0.000 0.213 136 A C 0.972 178.360 177.584 -0.326 0.000 1.154 136 A CA -0.110 51.762 52.037 -0.275 0.000 0.753 136 A CB -0.062 18.786 19.000 -0.253 0.000 0.826 136 A HN 0.382 nan 8.150 nan 0.000 0.469 137 R N -0.712 119.540 120.500 -0.413 0.000 3.209 137 R HA -0.121 4.220 4.340 0.002 0.000 0.252 137 R C -1.187 174.879 176.300 -0.390 0.000 0.958 137 R CA 0.982 56.860 56.100 -0.370 0.000 0.651 137 R CB -1.821 28.276 30.300 -0.339 0.000 1.142 137 R HN 0.534 nan 8.270 nan 0.000 0.441 138 K N 0.068 119.927 120.400 -0.900 0.000 2.523 138 K HA 0.324 4.645 4.320 0.002 0.000 0.257 138 K C -0.126 175.903 176.600 -0.952 0.000 0.932 138 K CA -0.957 54.937 56.287 -0.655 0.000 0.812 138 K CB 2.775 35.038 32.500 -0.397 0.000 1.326 138 K HN -0.104 nan 8.250 nan 0.000 0.433 139 V N 2.460 122.133 119.914 -0.402 0.000 2.740 139 V HA -0.058 4.063 4.120 0.002 0.000 0.303 139 V C 1.611 177.527 176.094 -0.298 0.000 1.054 139 V CA 0.677 62.871 62.300 -0.177 0.000 1.106 139 V CB 1.001 32.844 31.823 0.033 0.000 0.957 139 V HN 1.073 nan 8.190 nan 0.000 0.486 140 T N 2.050 116.444 114.554 -0.268 0.000 3.115 140 T HA 0.194 4.545 4.350 0.002 0.000 0.235 140 T C 0.029 174.283 174.700 -0.744 0.000 0.999 140 T CA 0.344 62.160 62.100 -0.474 0.000 1.276 140 T CB 0.080 68.814 68.868 -0.223 0.000 0.967 140 T HN 0.401 nan 8.240 nan 0.000 0.420 141 Y N 0.211 120.427 120.300 -0.139 0.000 2.534 141 Y HA 0.631 5.182 4.550 0.002 0.000 0.345 141 Y C -0.754 174.913 175.900 -0.390 0.000 1.031 141 Y CA -1.465 56.427 58.100 -0.347 0.000 1.022 141 Y CB 1.846 39.910 38.460 -0.659 0.000 1.292 141 Y HN 0.158 nan 8.280 nan 0.000 0.459 142 L N 3.082 124.181 121.223 -0.208 0.000 2.307 142 L HA 0.515 4.856 4.340 0.002 0.000 0.282 142 L C -1.230 175.453 176.870 -0.312 0.000 1.051 142 L CA -0.384 54.367 54.840 -0.147 0.000 0.804 142 L CB 0.621 42.650 42.059 -0.050 0.000 1.197 142 L HN 0.466 nan 8.230 nan 0.000 0.431 143 F N 0.708 120.716 119.950 0.096 0.000 2.495 143 F HA 0.310 4.838 4.527 0.002 0.000 0.327 143 F C 0.007 175.815 175.800 0.013 0.000 1.103 143 F CA -0.791 57.249 58.000 0.068 0.000 0.949 143 F CB 1.746 40.807 39.000 0.101 0.000 1.142 143 F HN 0.345 nan 8.300 nan 0.000 0.457 144 D N 1.272 121.769 120.400 0.161 0.000 2.460 144 D HA 0.204 4.845 4.640 0.002 0.000 0.232 144 D C 0.233 176.505 176.300 -0.047 0.000 1.079 144 D CA -0.378 53.650 54.000 0.047 0.000 0.864 144 D CB 1.048 41.866 40.800 0.030 0.000 1.048 144 D HN 0.574 nan 8.370 nan 0.000 0.523 145 T N 0.355 114.790 114.554 -0.198 0.000 3.248 145 T HA 0.179 4.530 4.350 0.002 0.000 0.271 145 T C 0.431 174.809 174.700 -0.537 0.000 1.005 145 T CA -0.643 61.071 62.100 -0.642 0.000 0.902 145 T CB -0.677 67.655 68.868 -0.894 0.000 1.102 145 T HN 0.507 nan 8.240 nan 0.000 0.548 146 N N 2.768 121.326 118.700 -0.236 0.000 2.716 146 N HA -0.206 4.535 4.740 0.002 0.000 0.250 146 N C -0.064 175.368 175.510 -0.131 0.000 1.033 146 N CA 1.052 54.015 53.050 -0.146 0.000 0.727 146 N CB -0.824 37.588 38.487 -0.125 0.000 0.950 146 N HN 0.812 nan 8.380 nan 0.000 0.541 147 E N -2.607 117.520 120.200 -0.121 0.000 3.801 147 E HA -0.261 4.090 4.350 0.002 0.000 0.319 147 E C -0.019 176.537 176.600 -0.073 0.000 0.784 147 E CA 1.111 57.471 56.400 -0.068 0.000 1.183 147 E CB -0.774 28.904 29.700 -0.037 0.000 1.601 147 E HN 0.589 nan 8.360 nan 0.000 0.441 148 E N 1.069 121.177 120.200 -0.154 0.000 2.316 148 E HA 0.153 4.504 4.350 0.002 0.000 0.275 148 E C 0.901 177.464 176.600 -0.063 0.000 1.029 148 E CA 1.102 57.441 56.400 -0.102 0.000 0.871 148 E CB 0.866 30.512 29.700 -0.091 0.000 1.022 148 E HN 0.232 nan 8.360 nan 0.000 0.418 149 T N 0.832 115.398 114.554 0.020 0.000 3.010 149 T HA 0.290 4.641 4.350 0.002 0.000 0.252 149 T C 1.661 176.413 174.700 0.088 0.000 0.963 149 T CA 0.298 62.451 62.100 0.089 0.000 0.952 149 T CB -0.230 68.693 68.868 0.092 0.000 1.182 149 T HN 0.313 nan 8.240 nan 0.000 0.495 150 A N 2.587 125.440 122.820 0.056 0.000 1.940 150 A HA 0.019 4.340 4.320 0.002 0.000 0.219 150 A C 2.421 180.055 177.584 0.084 0.000 1.176 150 A CA 2.107 54.179 52.037 0.058 0.000 0.631 150 A CB -0.895 18.133 19.000 0.046 0.000 0.814 150 A HN 0.810 nan 8.150 nan 0.000 0.446 151 S N -0.972 114.786 115.700 0.096 0.000 2.557 151 S HA 0.410 4.881 4.470 0.002 0.000 0.223 151 S C 0.276 174.937 174.600 0.102 0.000 0.969 151 S CA -0.551 57.709 58.200 0.100 0.000 0.927 151 S CB -0.558 62.709 63.200 0.112 0.000 0.806 151 S HN 0.330 nan 8.310 nan 0.000 0.489 152 L N 2.751 124.033 121.223 0.100 0.000 2.559 152 L HA 0.292 4.633 4.340 0.002 0.000 0.274 152 L C -0.092 176.804 176.870 0.043 0.000 1.205 152 L CA 0.200 55.050 54.840 0.017 0.000 0.907 152 L CB 0.082 42.158 42.059 0.029 0.000 1.153 152 L HN 0.210 nan 8.230 nan 0.000 0.490 153 D N 3.670 124.058 120.400 -0.020 0.000 2.476 153 D HA 0.300 4.941 4.640 0.002 0.000 0.251 153 D C -0.884 175.524 176.300 0.179 0.000 1.291 153 D CA -0.400 53.696 54.000 0.161 0.000 0.939 153 D CB 0.743 41.652 40.800 0.183 0.000 1.221 153 D HN 0.011 nan 8.370 nan 0.000 0.567 154 F N 1.548 121.553 119.950 0.091 0.000 2.399 154 F HA 0.244 4.772 4.527 0.002 0.000 0.342 154 F C 1.586 177.136 175.800 -0.418 0.000 1.106 154 F CA -0.355 57.568 58.000 -0.127 0.000 1.196 154 F CB 1.273 40.161 39.000 -0.187 0.000 1.163 154 F HN 0.146 nan 8.300 nan 0.000 0.547 155 S N 4.713 119.911 115.700 -0.837 0.000 2.563 155 S HA 0.058 4.529 4.470 0.002 0.000 0.284 155 S C -1.132 173.144 174.600 -0.540 0.000 1.331 155 S CA -1.153 56.166 58.200 -1.468 0.000 1.047 155 S CB 0.625 62.861 63.200 -1.607 0.000 0.859 155 S HN 0.460 nan 8.310 nan 0.000 0.514 156 P HA -0.072 nan 4.420 nan 0.000 0.221 156 P C 1.353 178.579 177.300 -0.124 0.000 1.145 156 P CA 0.758 63.773 63.100 -0.141 0.000 0.795 156 P CB -0.128 31.531 31.700 -0.067 0.000 0.775 157 V N -0.555 119.243 119.914 -0.193 0.000 2.667 157 V HA 0.019 4.140 4.120 0.002 0.000 0.252 157 V C 2.115 178.171 176.094 -0.062 0.000 1.065 157 V CA 1.848 64.077 62.300 -0.119 0.000 1.083 157 V CB -1.536 30.201 31.823 -0.143 0.000 0.692 157 V HN 0.353 nan 8.190 nan 0.000 0.468 158 G N 1.152 109.903 108.800 -0.083 0.000 2.175 158 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 158 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 158 G C 0.447 175.419 174.900 0.121 0.000 0.982 158 G CA 0.486 45.618 45.100 0.053 0.000 0.641 158 G HN 0.681 nan 8.290 nan 0.000 0.527 159 D N -0.526 119.805 120.400 -0.116 0.000 2.433 159 D HA 0.251 4.892 4.640 0.002 0.000 0.211 159 D C 0.886 177.097 176.300 -0.148 0.000 1.114 159 D CA 0.005 53.697 54.000 -0.513 0.000 0.837 159 D CB 0.300 40.692 40.800 -0.680 0.000 0.984 159 D HN 0.566 nan 8.370 nan 0.000 0.505 160 R N -0.745 119.765 120.500 0.017 0.000 2.774 160 R HA 0.695 5.036 4.340 0.002 0.000 0.272 160 R C -1.801 174.483 176.300 -0.027 0.000 1.000 160 R CA -1.051 55.100 56.100 0.085 0.000 0.906 160 R CB 3.070 33.371 30.300 0.002 0.000 1.227 160 R HN -0.048 nan 8.270 nan 0.000 0.468 161 V N 0.882 120.808 119.914 0.020 0.000 2.733 161 V HA 0.785 4.906 4.120 0.002 0.000 0.306 161 V C -1.147 175.038 176.094 0.152 0.000 1.084 161 V CA -0.451 61.718 62.300 -0.218 0.000 0.905 161 V CB 1.821 32.999 31.823 -1.075 0.000 1.010 161 V HN 0.946 nan 8.190 nan 0.000 0.424 162 A N 6.169 129.139 122.820 0.250 0.000 2.304 162 A HA 0.987 5.308 4.320 0.002 0.000 0.301 162 A C -0.996 176.648 177.584 0.100 0.000 1.132 162 A CA -0.145 51.947 52.037 0.092 0.000 0.819 162 A CB 0.867 19.811 19.000 -0.093 0.000 1.094 162 A HN 1.832 nan 8.150 nan 0.000 0.492 163 Y N -1.860 118.414 120.300 -0.043 0.000 2.713 163 Y HA 0.622 5.173 4.550 0.002 0.000 0.335 163 Y C -1.436 174.485 175.900 0.035 0.000 1.222 163 Y CA -1.432 56.655 58.100 -0.022 0.000 1.061 163 Y CB 0.673 39.111 38.460 -0.038 0.000 1.314 163 Y HN 0.447 nan 8.280 nan 0.000 0.453 164 V N 2.607 122.622 119.914 0.168 0.000 2.495 164 V HA 0.703 4.824 4.120 0.002 0.000 0.298 164 V C -0.629 175.600 176.094 0.226 0.000 1.031 164 V CA -0.712 61.654 62.300 0.109 0.000 0.871 164 V CB 1.599 33.470 31.823 0.079 0.000 0.988 164 V HN 0.801 nan 8.190 nan 0.000 0.432 165 R N 3.824 124.468 120.500 0.239 0.000 2.533 165 R HA 0.386 4.727 4.340 0.002 0.000 0.288 165 R C -0.020 176.360 176.300 0.133 0.000 1.039 165 R CA -0.596 55.610 56.100 0.177 0.000 0.909 165 R CB 0.829 31.228 30.300 0.166 0.000 1.195 165 R HN 0.748 nan 8.270 nan 0.000 0.438 166 N N 3.366 122.059 118.700 -0.012 0.000 2.705 166 N HA -0.260 4.481 4.740 0.002 0.000 0.255 166 N C -0.638 174.867 175.510 -0.008 0.000 1.008 166 N CA 1.805 54.797 53.050 -0.096 0.000 0.742 166 N CB -0.782 37.715 38.487 0.018 0.000 0.906 166 N HN 0.977 nan 8.380 nan 0.000 0.541 167 H N -4.213 114.926 119.070 0.116 0.000 4.089 167 H HA -0.177 4.380 4.556 0.002 0.000 0.142 167 H C -0.176 175.223 175.328 0.117 0.000 0.778 167 H CA 1.356 57.470 56.048 0.110 0.000 1.258 167 H CB -1.393 28.427 29.762 0.096 0.000 0.810 167 H HN 0.541 nan 8.280 nan 0.000 0.487 168 N N 0.634 119.428 118.700 0.156 0.000 2.362 168 N HA 0.392 5.133 4.740 0.002 0.000 0.299 168 N C -0.307 175.040 175.510 -0.273 0.000 1.170 168 N CA -0.770 52.223 53.050 -0.095 0.000 0.825 168 N CB 2.371 40.709 38.487 -0.249 0.000 1.299 168 N HN 0.011 nan 8.380 nan 0.000 0.502 169 L N 1.968 122.839 121.223 -0.586 0.000 2.292 169 L HA 0.423 4.764 4.340 0.002 0.000 0.284 169 L C -1.361 174.915 176.870 -0.991 0.000 1.065 169 L CA -0.040 54.410 54.840 -0.650 0.000 0.806 169 L CB -0.089 41.528 42.059 -0.737 0.000 1.175 169 L HN 0.404 nan 8.230 nan 0.000 0.431 170 Y N 4.477 124.359 120.300 -0.697 0.000 2.570 170 Y HA 0.649 5.199 4.550 0.002 0.000 0.345 170 Y C -0.388 175.151 175.900 -0.602 0.000 1.014 170 Y CA -0.730 56.946 58.100 -0.708 0.000 1.063 170 Y CB 1.798 39.693 38.460 -0.943 0.000 1.272 170 Y HN 0.359 nan 8.280 nan 0.000 0.477 171 I N 2.036 122.497 120.570 -0.183 0.000 2.447 171 I HA 0.626 4.797 4.170 0.002 0.000 0.287 171 I C -0.687 175.522 176.117 0.152 0.000 1.023 171 I CA -0.853 60.454 61.300 0.012 0.000 1.083 171 I CB 1.615 39.654 38.000 0.064 0.000 1.245 171 I HN 0.679 nan 8.210 nan 0.000 0.434 172 A N 6.475 129.461 122.820 0.276 0.000 2.305 172 A HA 0.664 4.985 4.320 0.002 0.000 0.322 172 A C -0.266 177.475 177.584 0.262 0.000 1.187 172 A CA -0.567 51.643 52.037 0.289 0.000 0.825 172 A CB 0.868 20.086 19.000 0.364 0.000 1.164 172 A HN 0.798 nan 8.150 nan 0.000 0.498 173 R N 2.058 122.667 120.500 0.181 0.000 2.349 173 R HA 0.467 4.808 4.340 0.002 0.000 0.299 173 R C 0.617 176.929 176.300 0.019 0.000 1.027 173 R CA 0.077 56.239 56.100 0.103 0.000 0.958 173 R CB 0.919 31.246 30.300 0.045 0.000 1.047 173 R HN 0.895 nan 8.270 nan 0.000 0.468 174 G N 1.466 110.156 108.800 -0.184 0.000 2.432 174 G HA2 0.314 4.275 3.960 0.002 0.000 0.239 174 G HA3 0.314 4.275 3.960 0.002 0.000 0.239 174 G C -0.327 174.425 174.900 -0.246 0.000 1.291 174 G CA -0.315 44.373 45.100 -0.686 0.000 0.863 174 G HN 0.688 nan 8.290 nan 0.000 0.560 175 G N 1.140 109.853 108.800 -0.146 0.000 2.417 175 G HA2 0.520 4.481 3.960 0.002 0.000 0.320 175 G HA3 0.520 4.481 3.960 0.002 0.000 0.320 175 G C -0.060 174.865 174.900 0.041 0.000 1.204 175 G CA -0.744 44.356 45.100 -0.001 0.000 0.923 175 G HN 0.582 nan 8.290 nan 0.000 0.466 176 K N 1.915 122.349 120.400 0.058 0.000 2.295 176 K HA 0.154 4.475 4.320 0.002 0.000 0.270 176 K C 0.417 176.980 176.600 -0.063 0.000 1.011 176 K CA -0.378 55.870 56.287 -0.065 0.000 0.953 176 K CB 1.525 33.977 32.500 -0.081 0.000 0.956 176 K HN 0.363 nan 8.250 nan 0.000 0.477 177 L N 1.880 123.050 121.223 -0.088 0.000 2.706 177 L HA -0.179 4.162 4.340 0.002 0.000 0.282 177 L C 1.300 178.146 176.870 -0.039 0.000 1.219 177 L CA 0.859 55.666 54.840 -0.055 0.000 0.935 177 L CB -0.559 41.467 42.059 -0.056 0.000 1.204 177 L HN 1.069 nan 8.230 nan 0.000 0.491 178 G N 2.936 111.721 108.800 -0.026 0.000 2.283 178 G HA2 -0.288 3.673 3.960 0.002 0.000 0.280 178 G HA3 -0.288 3.673 3.960 0.002 0.000 0.280 178 G C 0.500 175.391 174.900 -0.016 0.000 1.029 178 G CA 0.582 45.671 45.100 -0.018 0.000 0.840 178 G HN 0.847 nan 8.290 nan 0.000 0.505 179 E N -0.578 119.614 120.200 -0.014 0.000 2.583 179 E HA 0.435 4.786 4.350 0.002 0.000 0.213 179 E C 1.323 177.922 176.600 -0.001 0.000 0.989 179 E CA -0.031 56.365 56.400 -0.007 0.000 0.991 179 E CB 0.801 30.498 29.700 -0.005 0.000 1.040 179 E HN 1.492 nan 8.360 nan 0.000 0.481 180 G N 1.906 110.705 108.800 -0.002 0.000 2.814 180 G HA2 -0.227 3.734 3.960 0.002 0.000 0.677 180 G HA3 -0.227 3.734 3.960 0.002 0.000 0.677 180 G C -0.331 174.571 174.900 0.004 0.000 1.429 180 G CA -0.559 44.541 45.100 0.001 0.000 0.868 180 G HN -0.024 nan 8.290 nan 0.000 0.553 181 M N -0.060 119.544 119.600 0.007 0.000 2.664 181 M HA 0.711 5.192 4.480 0.002 0.000 0.314 181 M C 0.349 176.660 176.300 0.018 0.000 1.200 181 M CA -0.809 54.497 55.300 0.010 0.000 0.916 181 M CB 1.821 34.427 32.600 0.010 0.000 1.717 181 M HN 0.798 nan 8.290 nan 0.000 0.470 182 S N 0.253 115.969 115.700 0.026 0.000 2.568 182 S HA 0.571 5.042 4.470 0.002 0.000 0.302 182 S C -0.555 174.073 174.600 0.047 0.000 1.082 182 S CA -0.759 57.462 58.200 0.035 0.000 1.009 182 S CB 1.879 65.103 63.200 0.039 0.000 1.069 182 S HN 0.678 nan 8.310 nan 0.000 0.500 183 R N 1.878 122.407 120.500 0.048 0.000 2.491 183 R HA 0.481 4.822 4.340 0.002 0.000 0.283 183 R C 0.294 176.642 176.300 0.080 0.000 1.072 183 R CA -0.136 55.997 56.100 0.056 0.000 1.048 183 R CB 0.319 30.647 30.300 0.047 0.000 0.983 183 R HN 0.735 nan 8.270 nan 0.000 0.450 184 A N 4.642 127.523 122.820 0.101 0.000 2.507 184 A HA 0.112 4.433 4.320 0.002 0.000 0.235 184 A C 0.163 177.828 177.584 0.136 0.000 1.070 184 A CA 0.004 52.127 52.037 0.144 0.000 0.768 184 A CB 0.166 19.284 19.000 0.198 0.000 1.011 184 A HN 0.758 nan 8.150 nan 0.000 0.502 185 I N 1.056 121.686 120.570 0.101 0.000 2.365 185 I HA 0.375 4.546 4.170 0.002 0.000 0.291 185 I C 0.793 176.860 176.117 -0.084 0.000 1.004 185 I CA -0.022 61.287 61.300 0.016 0.000 1.311 185 I CB 1.570 39.559 38.000 -0.018 0.000 1.401 185 I HN 0.692 nan 8.210 nan 0.000 0.491 186 A N 6.388 129.117 122.820 -0.152 0.000 2.310 186 A HA 0.332 4.653 4.320 0.002 0.000 0.300 186 A C 0.931 178.158 177.584 -0.595 0.000 1.269 186 A CA -0.424 51.308 52.037 -0.508 0.000 0.909 186 A CB 0.408 19.218 19.000 -0.317 0.000 1.144 186 A HN 0.664 nan 8.150 nan 0.000 0.540 187 V N 2.554 121.966 119.914 -0.837 0.000 2.453 187 V HA -0.049 4.072 4.120 0.002 0.000 0.247 187 V C 1.575 177.236 176.094 -0.721 0.000 1.048 187 V CA 2.233 63.990 62.300 -0.905 0.000 1.049 187 V CB -0.874 30.284 31.823 -1.108 0.000 0.672 187 V HN 0.979 nan 8.190 nan 0.000 0.457 188 T N -1.901 112.168 114.554 -0.809 0.000 2.916 188 T HA 0.663 5.014 4.350 0.002 0.000 0.292 188 T C 0.153 174.546 174.700 -0.511 0.000 1.055 188 T CA -0.233 61.429 62.100 -0.731 0.000 1.009 188 T CB 2.463 70.576 68.868 -1.257 0.000 1.118 188 T HN 0.236 nan 8.240 nan 0.000 0.497 189 I N -1.569 118.816 120.570 -0.308 0.000 4.439 189 I HA 0.402 4.573 4.170 0.002 0.000 0.331 189 I C 0.411 176.504 176.117 -0.041 0.000 1.345 189 I CA -0.399 60.810 61.300 -0.152 0.000 1.193 189 I CB 0.571 38.514 38.000 -0.095 0.000 1.221 189 I HN 0.584 nan 8.210 nan 0.000 0.429 190 D N 1.534 121.939 120.400 0.009 0.000 2.501 190 D HA 0.218 4.859 4.640 0.002 0.000 0.226 190 D C 0.905 177.325 176.300 0.200 0.000 1.198 190 D CA -0.221 53.840 54.000 0.100 0.000 0.830 190 D CB -0.049 40.810 40.800 0.098 0.000 1.014 190 D HN 0.248 nan 8.370 nan 0.000 0.496 191 G N 0.249 109.212 108.800 0.271 0.000 2.491 191 G HA2 0.432 4.393 3.960 0.002 0.000 0.238 191 G HA3 0.432 4.393 3.960 0.002 0.000 0.238 191 G C 0.192 175.117 174.900 0.041 0.000 1.277 191 G CA 0.634 45.915 45.100 0.301 0.000 0.851 191 G HN 0.412 nan 8.290 nan 0.000 0.573 192 T N -1.424 113.012 114.554 -0.196 0.000 2.649 192 T HA 0.323 4.674 4.350 0.002 0.000 0.305 192 T C 0.820 175.135 174.700 -0.643 0.000 1.409 192 T CA -0.489 61.239 62.100 -0.621 0.000 1.021 192 T CB 1.088 69.766 68.868 -0.318 0.000 1.726 192 T HN 0.368 nan 8.240 nan 0.000 0.475 193 E N 0.805 120.686 120.200 -0.531 0.000 2.097 193 E HA -0.162 4.189 4.350 0.002 0.000 0.196 193 E C 1.700 178.120 176.600 -0.300 0.000 1.000 193 E CA 2.062 58.329 56.400 -0.223 0.000 0.804 193 E CB -0.292 29.400 29.700 -0.013 0.000 0.740 193 E HN 0.800 nan 8.360 nan 0.000 0.454 194 T N -1.546 112.779 114.554 -0.382 0.000 3.122 194 T HA 0.239 4.590 4.350 0.002 0.000 0.250 194 T C 0.172 174.657 174.700 -0.359 0.000 1.067 194 T CA -0.273 61.511 62.100 -0.526 0.000 0.966 194 T CB 0.299 68.886 68.868 -0.468 0.000 1.002 194 T HN -0.105 nan 8.240 nan 0.000 0.542 195 L N 1.928 122.974 121.223 -0.296 0.000 2.518 195 L HA 0.588 4.929 4.340 0.002 0.000 0.262 195 L C -1.302 175.374 176.870 -0.322 0.000 0.982 195 L CA -0.895 53.760 54.840 -0.308 0.000 0.873 195 L CB 1.785 43.688 42.059 -0.260 0.000 1.198 195 L HN 0.008 nan 8.230 nan 0.000 0.427 196 V N 5.087 124.810 119.914 -0.317 0.000 2.398 196 V HA 0.478 4.599 4.120 0.002 0.000 0.286 196 V C -0.698 175.283 176.094 -0.188 0.000 1.026 196 V CA -0.520 61.685 62.300 -0.158 0.000 0.868 196 V CB 1.288 33.061 31.823 -0.085 0.000 0.982 196 V HN 0.530 nan 8.190 nan 0.000 0.443 197 Y N 1.505 121.853 120.300 0.079 0.000 2.429 197 Y HA 0.619 5.170 4.550 0.002 0.000 0.342 197 Y C 1.208 177.156 175.900 0.080 0.000 1.004 197 Y CA 0.207 58.370 58.100 0.104 0.000 1.075 197 Y CB 2.177 40.629 38.460 -0.013 0.000 1.214 197 Y HN 0.842 nan 8.280 nan 0.000 0.455 198 G N 1.660 110.665 108.800 0.342 0.000 2.155 198 G HA2 -0.220 3.741 3.960 0.002 0.000 0.257 198 G HA3 -0.220 3.741 3.960 0.002 0.000 0.257 198 G C -0.265 174.727 174.900 0.153 0.000 0.983 198 G CA -0.080 45.133 45.100 0.188 0.000 0.676 198 G HN 0.512 nan 8.290 nan 0.000 0.528 199 Q N -0.642 119.278 119.800 0.200 0.000 2.378 199 Q HA 0.732 5.073 4.340 0.002 0.000 0.276 199 Q C 0.382 176.505 176.000 0.205 0.000 1.083 199 Q CA -0.461 55.436 55.803 0.157 0.000 0.856 199 Q CB 1.786 30.591 28.738 0.110 0.000 1.383 199 Q HN 0.789 nan 8.270 nan 0.000 0.458 200 A N 0.888 123.804 122.820 0.160 0.000 2.531 200 A HA 0.353 4.674 4.320 0.002 0.000 0.236 200 A C 0.291 177.864 177.584 -0.017 0.000 1.062 200 A CA -0.099 52.025 52.037 0.146 0.000 0.760 200 A CB -0.109 18.971 19.000 0.133 0.000 0.995 200 A HN 0.511 nan 8.150 nan 0.000 0.501 201 V N -1.230 118.573 119.914 -0.185 0.000 3.164 201 V HA 0.677 4.798 4.120 0.002 0.000 0.313 201 V C 0.414 176.397 176.094 -0.184 0.000 1.188 201 V CA -0.567 61.477 62.300 -0.426 0.000 1.058 201 V CB 1.038 32.276 31.823 -0.974 0.000 1.110 201 V HN 1.123 nan 8.190 nan 0.000 0.453 202 H N 0.325 119.421 119.070 0.044 0.000 2.820 202 H HA -0.142 4.415 4.556 0.002 0.000 0.295 202 H C 0.763 176.145 175.328 0.091 0.000 1.187 202 H CA 1.019 57.227 56.048 0.267 0.000 1.144 202 H CB -1.802 28.116 29.762 0.261 0.000 1.354 202 H HN 0.951 nan 8.280 nan 0.000 0.395 203 Q N -0.949 118.954 119.800 0.171 0.000 2.481 203 Q HA -0.282 4.059 4.340 0.002 0.000 0.272 203 Q C 0.635 176.666 176.000 0.051 0.000 1.157 203 Q CA 1.392 57.229 55.803 0.057 0.000 0.935 203 Q CB -1.143 27.567 28.738 -0.047 0.000 1.338 203 Q HN 0.862 nan 8.270 nan 0.000 0.494 204 R N -1.241 119.309 120.500 0.084 0.000 3.770 204 R HA -0.174 4.167 4.340 0.002 0.000 0.305 204 R C 0.076 176.400 176.300 0.041 0.000 1.184 204 R CA 1.281 57.435 56.100 0.090 0.000 0.823 204 R CB -0.895 29.456 30.300 0.085 0.000 1.285 204 R HN 0.317 nan 8.270 nan 0.000 0.499 205 E N 0.225 120.404 120.200 -0.035 0.000 2.351 205 E HA 0.184 4.535 4.350 0.002 0.000 0.255 205 E C 0.786 177.288 176.600 -0.163 0.000 1.188 205 E CA -0.447 55.759 56.400 -0.322 0.000 0.940 205 E CB 0.099 29.293 29.700 -0.845 0.000 1.094 205 E HN 0.168 nan 8.360 nan 0.000 0.474 206 F N -0.471 119.496 119.950 0.028 0.000 3.057 206 F HA -0.249 4.279 4.527 0.002 0.000 0.287 206 F C 1.190 177.026 175.800 0.060 0.000 0.834 206 F CA 0.515 58.542 58.000 0.045 0.000 1.147 206 F CB -2.062 36.978 39.000 0.065 0.000 1.245 206 F HN 0.723 nan 8.300 nan 0.000 0.509 207 G N -0.038 108.836 108.800 0.124 0.000 2.162 207 G HA2 -0.349 3.612 3.960 0.002 0.000 0.260 207 G HA3 -0.349 3.612 3.960 0.002 0.000 0.260 207 G C 0.155 175.175 174.900 0.200 0.000 0.976 207 G CA 0.062 45.223 45.100 0.101 0.000 0.655 207 G HN 0.546 nan 8.290 nan 0.000 0.533 208 I N 0.861 121.584 120.570 0.255 0.000 2.436 208 I HA 0.251 4.422 4.170 0.002 0.000 0.289 208 I C 1.197 177.467 176.117 0.255 0.000 1.083 208 I CA 0.224 61.722 61.300 0.331 0.000 1.372 208 I CB 0.833 39.054 38.000 0.368 0.000 1.408 208 I HN 0.229 nan 8.210 nan 0.000 0.516 209 E N 5.960 126.320 120.200 0.267 0.000 2.539 209 E HA 0.114 4.465 4.350 0.002 0.000 0.215 209 E C -0.207 176.497 176.600 0.174 0.000 0.965 209 E CA -0.024 56.491 56.400 0.192 0.000 1.019 209 E CB 0.690 30.494 29.700 0.172 0.000 1.059 209 E HN 0.615 nan 8.360 nan 0.000 0.496 210 K N -1.761 118.765 120.400 0.209 0.000 2.556 210 K HA 0.558 4.879 4.320 0.002 0.000 0.289 210 K C -0.028 176.667 176.600 0.158 0.000 1.040 210 K CA -0.855 55.495 56.287 0.105 0.000 0.894 210 K CB 1.098 33.582 32.500 -0.027 0.000 1.547 210 K HN -0.054 nan 8.250 nan 0.000 0.417 211 G N 0.418 109.243 108.800 0.040 0.000 3.839 211 G HA2 0.208 4.169 3.960 0.002 0.000 0.286 211 G HA3 0.208 4.169 3.960 0.002 0.000 0.286 211 G C -0.600 174.227 174.900 -0.121 0.000 1.005 211 G CA 0.101 45.321 45.100 0.201 0.000 0.824 211 G HN 0.729 nan 8.290 nan 0.000 0.489 212 T N -1.642 112.558 114.554 -0.590 0.000 2.876 212 T HA 0.740 5.091 4.350 0.002 0.000 0.289 212 T C -1.242 172.910 174.700 -0.913 0.000 1.014 212 T CA -0.857 60.946 62.100 -0.496 0.000 0.986 212 T CB 1.927 70.621 68.868 -0.291 0.000 1.021 212 T HN -0.016 nan 8.240 nan 0.000 0.458 213 F N 1.021 120.979 119.950 0.012 0.000 2.902 213 F HA 0.415 4.943 4.527 0.002 0.000 0.368 213 F C -0.712 175.237 175.800 0.249 0.000 1.202 213 F CA -1.332 56.784 58.000 0.192 0.000 1.109 213 F CB 0.892 40.021 39.000 0.215 0.000 1.418 213 F HN 0.617 nan 8.300 nan 0.000 0.527 214 W N 2.308 123.732 121.300 0.206 0.000 2.190 214 W HA 0.384 5.045 4.660 0.002 0.000 0.330 214 W C 0.847 177.140 176.519 -0.376 0.000 1.299 214 W CA -0.165 57.168 57.345 -0.020 0.000 1.215 214 W CB 0.917 30.359 29.460 -0.029 0.000 1.147 214 W HN 0.499 nan 8.180 nan 0.000 0.563 215 S N 3.448 118.719 115.700 -0.715 0.000 2.579 215 S HA 0.103 4.574 4.470 0.002 0.000 0.275 215 S C -1.374 172.969 174.600 -0.429 0.000 1.345 215 S CA -1.035 56.331 58.200 -1.390 0.000 1.031 215 S CB 1.067 63.283 63.200 -1.640 0.000 0.892 215 S HN 0.416 nan 8.310 nan 0.000 0.529 216 P HA -0.029 nan 4.420 nan 0.000 0.226 216 P C 0.310 177.570 177.300 -0.067 0.000 1.153 216 P CA 1.043 64.106 63.100 -0.061 0.000 0.777 216 P CB -0.022 31.691 31.700 0.023 0.000 0.794 217 K N -1.042 119.293 120.400 -0.107 0.000 2.373 217 K HA 0.327 4.648 4.320 0.002 0.000 0.202 217 K C 1.111 177.661 176.600 -0.083 0.000 1.025 217 K CA 0.440 56.682 56.287 -0.075 0.000 1.115 217 K CB 0.008 32.474 32.500 -0.056 0.000 0.858 217 K HN 0.042 nan 8.250 nan 0.000 0.525 218 G N 1.347 110.094 108.800 -0.088 0.000 2.155 218 G HA2 -0.308 3.653 3.960 0.002 0.000 0.257 218 G HA3 -0.308 3.653 3.960 0.002 0.000 0.257 218 G C 0.873 175.817 174.900 0.075 0.000 0.983 218 G CA 0.747 45.830 45.100 -0.029 0.000 0.676 218 G HN 0.322 nan 8.290 nan 0.000 0.528 219 S N -1.355 114.330 115.700 -0.025 0.000 2.428 219 S HA 0.195 4.666 4.470 0.002 0.000 0.230 219 S C 1.054 175.632 174.600 -0.036 0.000 1.014 219 S CA 1.043 59.232 58.200 -0.019 0.000 0.957 219 S CB 0.246 63.416 63.200 -0.050 0.000 0.784 219 S HN 0.829 nan 8.310 nan 0.000 0.499 220 C N 0.740 119.965 119.300 -0.125 0.000 3.090 220 C HA 0.737 5.197 4.460 0.002 0.000 0.305 220 C C -0.890 174.016 174.990 -0.139 0.000 1.292 220 C CA -1.160 57.735 59.018 -0.206 0.000 1.482 220 C CB 1.474 28.986 27.740 -0.380 0.000 1.897 220 C HN 0.401 nan 8.230 nan 0.000 0.469 221 L N 2.547 123.695 121.223 -0.124 0.000 2.342 221 L HA 0.773 5.114 4.340 0.002 0.000 0.276 221 L C 0.168 177.103 176.870 0.109 0.000 0.997 221 L CA 0.012 54.690 54.840 -0.270 0.000 0.838 221 L CB 0.754 42.426 42.059 -0.644 0.000 1.224 221 L HN 0.906 nan 8.230 nan 0.000 0.416 222 A N 4.580 127.569 122.820 0.282 0.000 2.302 222 A HA 0.802 5.123 4.320 0.002 0.000 0.285 222 A C -0.844 176.862 177.584 0.205 0.000 1.105 222 A CA -0.191 51.952 52.037 0.176 0.000 0.816 222 A CB 0.269 19.360 19.000 0.151 0.000 1.067 222 A HN 0.841 nan 8.150 nan 0.000 0.489 223 F N -1.723 118.225 119.950 -0.003 0.000 2.678 223 F HA 0.607 5.135 4.527 0.002 0.000 0.308 223 F C -1.354 174.481 175.800 0.059 0.000 1.118 223 F CA -1.452 56.557 58.000 0.016 0.000 0.959 223 F CB 0.729 39.710 39.000 -0.031 0.000 1.305 223 F HN 0.514 nan 8.300 nan 0.000 0.443 224 Y N 1.518 122.017 120.300 0.330 0.000 2.309 224 Y HA 0.499 5.050 4.550 0.002 0.000 0.327 224 Y C 0.463 176.552 175.900 0.315 0.000 1.172 224 Y CA -0.680 57.539 58.100 0.199 0.000 1.280 224 Y CB 1.261 39.810 38.460 0.148 0.000 1.234 224 Y HN 0.646 nan 8.280 nan 0.000 0.512 225 R N 4.721 125.451 120.500 0.383 0.000 2.360 225 R HA 0.427 4.768 4.340 0.002 0.000 0.318 225 R C -1.469 174.814 176.300 -0.029 0.000 0.950 225 R CA -0.659 55.534 56.100 0.156 0.000 0.837 225 R CB 0.868 31.351 30.300 0.305 0.000 1.165 225 R HN 0.834 nan 8.270 nan 0.000 0.458 226 M N 4.640 124.135 119.600 -0.175 0.000 2.044 226 M HA 0.211 4.692 4.480 0.002 0.000 0.333 226 M C -1.255 174.914 176.300 -0.220 0.000 1.004 226 M CA -0.624 54.551 55.300 -0.209 0.000 0.954 226 M CB 1.199 33.606 32.600 -0.321 0.000 1.468 226 M HN 0.466 nan 8.290 nan 0.000 0.414 227 D N 4.446 124.758 120.400 -0.146 0.000 2.339 227 D HA 0.093 4.734 4.640 0.002 0.000 0.241 227 D C -0.019 176.188 176.300 -0.155 0.000 1.183 227 D CA 0.101 54.004 54.000 -0.161 0.000 0.859 227 D CB 0.946 41.682 40.800 -0.106 0.000 1.067 227 D HN 0.765 nan 8.370 nan 0.000 0.484 228 Q N 1.714 121.387 119.800 -0.211 0.000 2.175 228 Q HA 0.096 4.437 4.340 0.002 0.000 0.225 228 Q C 0.733 176.585 176.000 -0.247 0.000 0.837 228 Q CA -0.327 55.377 55.803 -0.165 0.000 1.032 228 Q CB 0.155 28.815 28.738 -0.130 0.000 1.137 228 Q HN 0.321 nan 8.270 nan 0.000 0.483 229 S N 1.077 116.630 115.700 -0.244 0.000 2.474 229 S HA -0.118 4.353 4.470 0.002 0.000 0.235 229 S C 1.876 176.425 174.600 -0.085 0.000 0.997 229 S CA 0.683 58.767 58.200 -0.193 0.000 0.949 229 S CB -0.234 62.871 63.200 -0.157 0.000 0.766 229 S HN 0.598 nan 8.310 nan 0.000 0.517 230 M N 0.755 120.292 119.600 -0.105 0.000 2.495 230 M HA 0.365 4.846 4.480 0.002 0.000 0.237 230 M C -0.097 176.205 176.300 0.002 0.000 1.131 230 M CA 0.084 55.342 55.300 -0.069 0.000 1.032 230 M CB -1.057 31.450 32.600 -0.155 0.000 1.513 230 M HN 0.015 nan 8.290 nan 0.000 0.488 231 V N 2.736 122.693 119.914 0.071 0.000 2.465 231 V HA 0.255 4.376 4.120 0.002 0.000 0.279 231 V C 0.260 176.476 176.094 0.202 0.000 1.045 231 V CA -0.633 61.753 62.300 0.144 0.000 0.938 231 V CB 1.201 33.155 31.823 0.219 0.000 0.986 231 V HN 0.349 nan 8.190 nan 0.000 0.467 232 K N 7.639 128.104 120.400 0.107 0.000 2.316 232 K HA 0.320 4.641 4.320 0.002 0.000 0.289 232 K C -2.205 174.397 176.600 0.004 0.000 1.070 232 K CA -1.293 55.029 56.287 0.058 0.000 0.928 232 K CB 0.833 33.351 32.500 0.029 0.000 1.039 232 K HN 0.473 nan 8.250 nan 0.000 0.480 233 P HA 0.148 nan 4.420 nan 0.000 0.278 233 P C -0.917 176.284 177.300 -0.165 0.000 1.258 233 P CA -0.505 62.409 63.100 -0.310 0.000 0.811 233 P CB 1.238 32.467 31.700 -0.786 0.000 1.063 234 T N 2.190 116.661 114.554 -0.139 0.000 2.823 234 T HA 0.437 4.788 4.350 0.002 0.000 0.279 234 T C -2.495 172.152 174.700 -0.088 0.000 0.998 234 T CA -1.474 60.573 62.100 -0.088 0.000 0.994 234 T CB 1.029 69.855 68.868 -0.070 0.000 0.960 234 T HN 0.335 nan 8.240 nan 0.000 0.448 235 P HA 0.309 nan 4.420 nan 0.000 0.276 235 P C -0.867 176.439 177.300 0.010 0.000 1.235 235 P CA -0.413 62.665 63.100 -0.037 0.000 0.772 235 P CB 0.474 32.157 31.700 -0.027 0.000 0.871 236 I N 4.264 124.838 120.570 0.007 0.000 2.355 236 I HA 0.233 4.404 4.170 0.002 0.000 0.288 236 I C -0.059 176.056 176.117 -0.004 0.000 0.999 236 I CA -0.806 60.516 61.300 0.037 0.000 1.163 236 I CB 1.782 39.803 38.000 0.036 0.000 1.316 236 I HN 0.032 nan 8.210 nan 0.000 0.454 237 V N 5.378 125.286 119.914 -0.010 0.000 2.398 237 V HA 0.253 4.374 4.120 0.002 0.000 0.286 237 V C -0.093 175.824 176.094 -0.296 0.000 1.026 237 V CA -0.689 61.482 62.300 -0.215 0.000 0.868 237 V CB 2.094 33.695 31.823 -0.369 0.000 0.982 237 V HN 0.604 nan 8.190 nan 0.000 0.443 238 D N 3.042 123.277 120.400 -0.274 0.000 2.347 238 D HA 0.220 4.861 4.640 0.002 0.000 0.235 238 D C 0.212 176.325 176.300 -0.313 0.000 1.149 238 D CA -0.080 53.817 54.000 -0.171 0.000 0.850 238 D CB 0.807 41.578 40.800 -0.048 0.000 1.061 238 D HN 0.511 nan 8.370 nan 0.000 0.487 239 Y N 2.099 122.312 120.300 -0.146 0.000 2.529 239 Y HA -0.001 4.550 4.550 0.002 0.000 0.290 239 Y C 1.935 177.696 175.900 -0.231 0.000 1.177 239 Y CA 0.252 58.238 58.100 -0.190 0.000 1.305 239 Y CB 0.235 38.562 38.460 -0.221 0.000 1.047 239 Y HN 0.590 nan 8.280 nan 0.000 0.522 240 H N -0.915 118.208 119.070 0.087 0.000 2.436 240 H HA 0.091 4.648 4.556 0.002 0.000 0.294 240 H C -1.256 174.094 175.328 0.037 0.000 1.048 240 H CA 0.313 56.396 56.048 0.058 0.000 1.353 240 H CB -1.357 28.424 29.762 0.031 0.000 1.414 240 H HN 0.246 nan 8.280 nan 0.000 0.536 241 P HA -0.070 nan 4.420 nan 0.000 0.271 241 P C 1.284 178.617 177.300 0.056 0.000 1.233 241 P CA -0.132 63.008 63.100 0.067 0.000 0.789 241 P CB 0.935 32.656 31.700 0.034 0.000 0.951 242 L N 0.875 122.126 121.223 0.046 0.000 1.978 242 L HA -0.194 4.147 4.340 0.002 0.000 0.218 242 L C 0.364 177.257 176.870 0.039 0.000 1.075 242 L CA 2.087 56.952 54.840 0.041 0.000 0.767 242 L CB -0.828 41.250 42.059 0.032 0.000 0.890 242 L HN 0.408 nan 8.230 nan 0.000 0.434 243 E N 0.066 120.282 120.200 0.027 0.000 2.197 243 E HA 0.534 4.885 4.350 0.002 0.000 0.281 243 E C 0.011 176.611 176.600 -0.001 0.000 0.995 243 E CA 0.163 56.575 56.400 0.020 0.000 0.808 243 E CB 1.110 30.817 29.700 0.012 0.000 1.093 243 E HN 0.415 nan 8.360 nan 0.000 0.394 244 A N 3.489 126.301 122.820 -0.013 0.000 2.520 244 A HA 0.100 4.421 4.320 0.002 0.000 0.235 244 A C -0.150 177.357 177.584 -0.127 0.000 1.065 244 A CA 0.117 52.083 52.037 -0.119 0.000 0.764 244 A CB 0.201 19.062 19.000 -0.232 0.000 1.002 244 A HN 0.657 nan 8.150 nan 0.000 0.502 245 E N 0.749 120.854 120.200 -0.159 0.000 2.199 245 E HA 0.448 4.799 4.350 0.002 0.000 0.265 245 E C -0.644 175.883 176.600 -0.122 0.000 0.882 245 E CA -0.506 55.834 56.400 -0.100 0.000 0.759 245 E CB 1.843 31.513 29.700 -0.051 0.000 1.148 245 E HN 0.726 nan 8.360 nan 0.000 0.412 246 S N 2.933 118.582 115.700 -0.086 0.000 2.608 246 S HA 0.563 5.034 4.470 0.002 0.000 0.291 246 S C -0.392 174.188 174.600 -0.034 0.000 1.146 246 S CA -0.894 57.263 58.200 -0.072 0.000 1.043 246 S CB 1.876 65.039 63.200 -0.062 0.000 1.037 246 S HN 0.437 nan 8.310 nan 0.000 0.520 247 K N 1.340 121.727 120.400 -0.022 0.000 2.427 247 K HA 0.558 4.879 4.320 0.002 0.000 0.252 247 K C -3.115 173.471 176.600 -0.023 0.000 0.931 247 K CA -2.317 53.972 56.287 0.003 0.000 0.793 247 K CB 1.777 34.294 32.500 0.029 0.000 1.211 247 K HN 0.398 nan 8.250 nan 0.000 0.426 248 P HA 0.097 nan 4.420 nan 0.000 0.276 248 P C -1.189 175.995 177.300 -0.193 0.000 1.230 248 P CA -0.522 62.457 63.100 -0.203 0.000 0.776 248 P CB 0.651 32.135 31.700 -0.361 0.000 0.888 249 L N 4.665 125.768 121.223 -0.201 0.000 2.298 249 L HA 0.372 4.713 4.340 0.002 0.000 0.284 249 L C -0.799 175.997 176.870 -0.123 0.000 1.013 249 L CA -0.661 54.148 54.840 -0.052 0.000 0.824 249 L CB 0.385 42.465 42.059 0.036 0.000 1.221 249 L HN 0.209 nan 8.230 nan 0.000 0.418 250 Y N 5.385 125.754 120.300 0.115 0.000 2.724 250 Y HA 0.121 4.672 4.550 0.002 0.000 0.354 250 Y C -0.589 175.402 175.900 0.152 0.000 1.270 250 Y CA 0.133 58.299 58.100 0.111 0.000 1.902 250 Y CB -0.732 37.771 38.460 0.070 0.000 1.981 250 Y HN 0.519 nan 8.280 nan 0.000 0.428 251 Y N 5.081 125.426 120.300 0.075 0.000 2.454 251 Y HA 0.384 4.935 4.550 0.002 0.000 0.345 251 Y C -2.464 173.464 175.900 0.047 0.000 0.970 251 Y CA -3.343 54.790 58.100 0.056 0.000 1.204 251 Y CB 0.869 39.332 38.460 0.005 0.000 1.122 251 Y HN 0.216 nan 8.280 nan 0.000 0.514 252 P HA 0.193 nan 4.420 nan 0.000 0.286 252 P C -0.750 176.484 177.300 -0.109 0.000 1.321 252 P CA 0.013 63.066 63.100 -0.079 0.000 0.790 252 P CB 0.738 32.370 31.700 -0.114 0.000 0.897 253 M N 2.262 121.896 119.600 0.057 0.000 2.255 253 M HA 0.413 4.894 4.480 0.002 0.000 0.336 253 M C 0.863 177.232 176.300 0.114 0.000 1.135 253 M CA -0.690 54.690 55.300 0.133 0.000 1.145 253 M CB 0.974 33.683 32.600 0.182 0.000 1.473 253 M HN 0.328 nan 8.290 nan 0.000 0.462 254 A N 1.640 124.576 122.820 0.193 0.000 2.598 254 A HA 0.310 4.631 4.320 0.002 0.000 0.239 254 A C 1.279 178.915 177.584 0.088 0.000 1.032 254 A CA 0.930 53.089 52.037 0.203 0.000 0.760 254 A CB -1.002 18.226 19.000 0.379 0.000 0.946 254 A HN 1.269 nan 8.150 nan 0.000 0.512 255 G N 1.668 110.500 108.800 0.055 0.000 2.184 255 G HA2 -0.207 3.754 3.960 0.002 0.000 0.264 255 G HA3 -0.207 3.754 3.960 0.002 0.000 0.264 255 G C 0.669 175.572 174.900 0.005 0.000 0.975 255 G CA 1.433 46.531 45.100 -0.003 0.000 0.642 255 G HN 2.254 nan 8.290 nan 0.000 0.536 256 T N -1.495 113.073 114.554 0.023 0.000 2.897 256 T HA 0.664 5.015 4.350 0.002 0.000 0.278 256 T C -2.569 172.140 174.700 0.015 0.000 0.981 256 T CA -1.542 60.568 62.100 0.017 0.000 0.973 256 T CB 2.010 70.894 68.868 0.027 0.000 1.092 256 T HN 0.017 nan 8.240 nan 0.000 0.543 257 P HA 0.244 nan 4.420 nan 0.000 0.267 257 P C -0.320 176.977 177.300 -0.004 0.000 1.205 257 P CA -0.029 63.077 63.100 0.010 0.000 0.765 257 P CB 0.553 32.255 31.700 0.002 0.000 0.828 258 S N 2.278 117.979 115.700 0.001 0.000 2.645 258 S HA 0.192 4.663 4.470 0.002 0.000 0.266 258 S C 0.250 174.827 174.600 -0.038 0.000 1.258 258 S CA -0.650 57.513 58.200 -0.062 0.000 0.990 258 S CB 0.118 63.303 63.200 -0.025 0.000 0.967 258 S HN 0.519 nan 8.310 nan 0.000 0.556 259 H N 0.193 119.325 119.070 0.103 0.000 2.660 259 H HA 0.298 4.855 4.556 0.002 0.000 0.374 259 H C -0.694 174.742 175.328 0.180 0.000 1.291 259 H CA -0.377 55.687 56.048 0.026 0.000 1.437 259 H CB 0.100 29.879 29.762 0.029 0.000 1.509 259 H HN 0.676 nan 8.280 nan 0.000 0.614 260 H N 0.239 119.429 119.070 0.199 0.000 2.638 260 H HA 0.343 4.900 4.556 0.002 0.000 0.317 260 H C -0.782 174.579 175.328 0.055 0.000 1.006 260 H CA -0.940 55.169 56.048 0.103 0.000 1.222 260 H CB 1.656 31.429 29.762 0.018 0.000 1.419 260 H HN 0.214 nan 8.280 nan 0.000 0.489 261 V N 3.840 123.878 119.914 0.207 0.000 2.435 261 V HA 0.282 4.403 4.120 0.002 0.000 0.290 261 V C 0.425 176.572 176.094 0.089 0.000 1.030 261 V CA -0.505 61.832 62.300 0.062 0.000 0.881 261 V CB 1.626 33.391 31.823 -0.096 0.000 0.983 261 V HN 0.895 nan 8.190 nan 0.000 0.445 262 T N 1.635 116.249 114.554 0.101 0.000 2.926 262 T HA 0.789 5.140 4.350 0.002 0.000 0.289 262 T C -0.822 173.986 174.700 0.180 0.000 1.054 262 T CA -0.826 61.346 62.100 0.120 0.000 1.015 262 T CB 1.961 70.888 68.868 0.099 0.000 1.167 262 T HN 0.253 nan 8.240 nan 0.000 0.526 263 V N 1.089 121.039 119.914 0.062 0.000 2.409 263 V HA 0.715 4.836 4.120 0.002 0.000 0.291 263 V C 0.788 176.600 176.094 -0.470 0.000 1.020 263 V CA -0.560 61.632 62.300 -0.180 0.000 0.848 263 V CB 1.195 32.847 31.823 -0.283 0.000 0.990 263 V HN 1.250 nan 8.190 nan 0.000 0.430 264 G N 4.453 112.605 108.800 -1.080 0.000 2.437 264 G HA2 0.770 4.731 3.960 0.002 0.000 0.319 264 G HA3 0.770 4.731 3.960 0.002 0.000 0.319 264 G C -0.880 173.308 174.900 -1.185 0.000 1.158 264 G CA -0.547 43.495 45.100 -1.764 0.000 0.899 264 G HN 0.609 nan 8.290 nan 0.000 0.502 265 I N 0.766 120.961 120.570 -0.626 0.000 2.468 265 I HA 0.173 4.344 4.170 0.002 0.000 0.285 265 I C -1.406 174.720 176.117 0.015 0.000 1.039 265 I CA -0.790 60.386 61.300 -0.206 0.000 1.074 265 I CB 2.167 40.089 38.000 -0.131 0.000 1.228 265 I HN 0.502 nan 8.210 nan 0.000 0.436 266 Y N 6.364 126.685 120.300 0.035 0.000 2.341 266 Y HA 0.335 4.886 4.550 0.002 0.000 0.340 266 Y C -0.173 175.689 175.900 -0.064 0.000 0.997 266 Y CA -0.301 57.833 58.100 0.057 0.000 1.149 266 Y CB 0.447 38.925 38.460 0.031 0.000 1.171 266 Y HN 0.434 nan 8.280 nan 0.000 0.494 267 H N 8.364 127.131 119.070 -0.505 0.000 2.705 267 H HA 0.098 4.655 4.556 0.002 0.000 0.291 267 H C 0.553 175.511 175.328 -0.617 0.000 1.085 267 H CA -0.194 55.620 56.048 -0.389 0.000 1.357 267 H CB 1.528 31.160 29.762 -0.216 0.000 1.419 267 H HN 0.781 nan 8.280 nan 0.000 0.462 268 L N 3.141 124.204 121.223 -0.267 0.000 2.083 268 L HA -0.171 4.170 4.340 0.002 0.000 0.209 268 L C 2.568 179.398 176.870 -0.066 0.000 1.083 268 L CA 1.681 56.451 54.840 -0.116 0.000 0.752 268 L CB -0.587 41.544 42.059 0.121 0.000 0.899 268 L HN 0.707 nan 8.230 nan 0.000 0.433 269 A N -1.068 121.732 122.820 -0.034 0.000 1.930 269 A HA -0.174 4.147 4.320 0.002 0.000 0.217 269 A C 2.315 179.881 177.584 -0.029 0.000 1.175 269 A CA 2.170 54.201 52.037 -0.010 0.000 0.627 269 A CB -0.797 18.206 19.000 0.004 0.000 0.815 269 A HN 0.505 nan 8.150 nan 0.000 0.443 270 T N -5.643 108.870 114.554 -0.068 0.000 2.990 270 T HA 0.417 4.768 4.350 0.002 0.000 0.250 270 T C 1.389 176.046 174.700 -0.072 0.000 1.041 270 T CA 1.090 63.152 62.100 -0.063 0.000 1.010 270 T CB 0.213 69.033 68.868 -0.079 0.000 1.003 270 T HN 1.676 nan 8.240 nan 0.000 0.499 271 G N 1.843 110.538 108.800 -0.176 0.000 2.168 271 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 271 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 271 G C -0.093 174.778 174.900 -0.049 0.000 0.997 271 G CA 0.515 45.541 45.100 -0.125 0.000 0.708 271 G HN 0.835 nan 8.290 nan 0.000 0.520 272 K N 0.429 120.752 120.400 -0.128 0.000 2.110 272 K HA 0.577 4.898 4.320 0.002 0.000 0.263 272 K C -0.443 176.199 176.600 0.070 0.000 0.975 272 K CA -0.251 56.035 56.287 -0.002 0.000 0.895 272 K CB 0.774 33.249 32.500 -0.041 0.000 1.060 272 K HN 0.051 nan 8.250 nan 0.000 0.448 273 T N 2.699 117.348 114.554 0.159 0.000 2.797 273 T HA 0.370 4.721 4.350 0.002 0.000 0.279 273 T C -0.766 174.003 174.700 0.115 0.000 0.991 273 T CA -0.776 61.435 62.100 0.184 0.000 0.979 273 T CB 1.269 70.291 68.868 0.256 0.000 0.943 273 T HN 0.456 nan 8.240 nan 0.000 0.444 274 V N 1.038 120.973 119.914 0.036 0.000 2.680 274 V HA 0.710 4.831 4.120 0.002 0.000 0.309 274 V C -1.552 174.435 176.094 -0.178 0.000 1.052 274 V CA -1.177 61.137 62.300 0.024 0.000 0.908 274 V CB 1.171 33.028 31.823 0.057 0.000 1.001 274 V HN 0.765 nan 8.190 nan 0.000 0.431 275 Y N 2.990 123.276 120.300 -0.024 0.000 2.342 275 Y HA 0.626 5.177 4.550 0.002 0.000 0.334 275 Y C 0.581 176.410 175.900 -0.117 0.000 1.067 275 Y CA -0.779 57.266 58.100 -0.092 0.000 1.128 275 Y CB 1.653 40.077 38.460 -0.060 0.000 1.200 275 Y HN 0.610 nan 8.280 nan 0.000 0.464 276 L N 3.617 124.767 121.223 -0.122 0.000 2.525 276 L HA -0.007 4.334 4.340 0.002 0.000 0.278 276 L C 0.257 177.036 176.870 -0.150 0.000 1.218 276 L CA 0.323 55.006 54.840 -0.261 0.000 0.878 276 L CB 0.224 41.886 42.059 -0.662 0.000 1.127 276 L HN 0.588 nan 8.230 nan 0.000 0.492 277 Q N 1.640 121.425 119.800 -0.024 0.000 3.150 277 Q HA 0.044 4.385 4.340 0.002 0.000 0.297 277 Q C 1.106 177.179 176.000 0.121 0.000 1.382 277 Q CA -0.125 55.726 55.803 0.080 0.000 1.059 277 Q CB 0.162 28.988 28.738 0.147 0.000 1.559 277 Q HN 0.780 nan 8.270 nan 0.000 0.548 278 T N -2.914 111.606 114.554 -0.056 0.000 2.995 278 T HA 0.109 4.460 4.350 0.002 0.000 0.269 278 T C 1.222 175.907 174.700 -0.025 0.000 1.091 278 T CA 0.296 62.378 62.100 -0.031 0.000 1.128 278 T CB -0.075 68.705 68.868 -0.147 0.000 0.891 278 T HN 0.640 nan 8.240 nan 0.000 0.492 279 G N 1.522 110.293 108.800 -0.048 0.000 2.569 279 G HA2 -0.187 3.774 3.960 0.002 0.000 0.259 279 G HA3 -0.187 3.774 3.960 0.002 0.000 0.259 279 G C -0.759 174.075 174.900 -0.111 0.000 1.263 279 G CA -0.162 44.892 45.100 -0.077 0.000 0.928 279 G HN 0.542 nan 8.290 nan 0.000 0.572 280 E N 1.526 121.654 120.200 -0.120 0.000 2.202 280 E HA 0.513 4.864 4.350 0.002 0.000 0.272 280 E C -2.034 174.482 176.600 -0.140 0.000 0.951 280 E CA -1.411 54.907 56.400 -0.136 0.000 0.813 280 E CB 1.599 31.229 29.700 -0.116 0.000 1.151 280 E HN 0.460 nan 8.360 nan 0.000 0.398 281 P HA 0.206 nan 4.420 nan 0.000 0.275 281 P C 0.126 177.289 177.300 -0.227 0.000 1.228 281 P CA -0.275 62.719 63.100 -0.177 0.000 0.786 281 P CB 1.153 32.752 31.700 -0.169 0.000 0.927 282 K N 0.984 121.197 120.400 -0.311 0.000 2.283 282 K HA -0.108 4.213 4.320 0.002 0.000 0.202 282 K C 1.373 177.750 176.600 -0.372 0.000 1.048 282 K CA 1.141 57.154 56.287 -0.456 0.000 0.948 282 K CB 0.092 32.049 32.500 -0.904 0.000 0.742 282 K HN 0.544 nan 8.250 nan 0.000 0.458 283 E N 1.550 121.589 120.200 -0.268 0.000 2.478 283 E HA -0.082 4.269 4.350 0.002 0.000 0.198 283 E C -0.111 176.255 176.600 -0.390 0.000 1.046 283 E CA 0.200 56.503 56.400 -0.162 0.000 0.870 283 E CB 0.048 29.654 29.700 -0.156 0.000 0.818 283 E HN 0.326 nan 8.360 nan 0.000 0.527 284 K N 0.793 120.977 120.400 -0.359 0.000 2.469 284 K HA -0.001 4.320 4.320 0.002 0.000 0.274 284 K C -0.619 175.740 176.600 -0.402 0.000 0.983 284 K CA 0.129 56.141 56.287 -0.459 0.000 0.974 284 K CB 0.274 32.623 32.500 -0.252 0.000 0.913 284 K HN -0.265 nan 8.250 nan 0.000 0.493 285 F N 2.427 122.225 119.950 -0.253 0.000 2.420 285 F HA 0.277 4.805 4.527 0.002 0.000 0.352 285 F C 0.111 175.792 175.800 -0.198 0.000 1.108 285 F CA -0.963 56.741 58.000 -0.494 0.000 1.162 285 F CB 0.640 39.103 39.000 -0.896 0.000 1.118 285 F HN 0.244 nan 8.300 nan 0.000 0.510 286 L N 4.303 125.743 121.223 0.362 0.000 2.277 286 L HA 0.480 4.821 4.340 0.002 0.000 0.284 286 L C 0.160 177.213 176.870 0.306 0.000 1.028 286 L CA -0.451 54.538 54.840 0.250 0.000 0.835 286 L CB 0.947 43.159 42.059 0.256 0.000 1.215 286 L HN 0.744 nan 8.230 nan 0.000 0.425 287 T N -1.026 113.624 114.554 0.159 0.000 2.916 287 T HA 0.391 4.742 4.350 0.002 0.000 0.292 287 T C 0.214 175.002 174.700 0.146 0.000 1.064 287 T CA -0.710 61.509 62.100 0.197 0.000 1.011 287 T CB 1.570 70.498 68.868 0.100 0.000 1.152 287 T HN 0.609 nan 8.240 nan 0.000 0.510 288 N N 0.065 118.873 118.700 0.180 0.000 2.725 288 N HA -0.125 4.616 4.740 0.002 0.000 0.251 288 N C -0.844 174.693 175.510 0.044 0.000 1.031 288 N CA 0.078 53.229 53.050 0.168 0.000 0.720 288 N CB -1.435 37.220 38.487 0.280 0.000 0.930 288 N HN 0.541 nan 8.380 nan 0.000 0.543 289 L N 0.412 121.509 121.223 -0.211 0.000 2.578 289 L HA 0.091 4.432 4.340 0.002 0.000 0.279 289 L C 0.380 177.153 176.870 -0.162 0.000 1.227 289 L CA 1.169 55.774 54.840 -0.392 0.000 0.900 289 L CB 0.749 42.188 42.059 -1.034 0.000 1.144 289 L HN 0.190 nan 8.230 nan 0.000 0.496 290 S N 2.474 118.144 115.700 -0.051 0.000 2.720 290 S HA 0.336 4.807 4.470 0.002 0.000 0.278 290 S C -1.143 173.599 174.600 0.237 0.000 1.172 290 S CA -0.783 57.532 58.200 0.192 0.000 1.019 290 S CB 0.518 63.866 63.200 0.247 0.000 1.049 290 S HN 0.416 nan 8.310 nan 0.000 0.483 291 W N 3.077 124.510 121.300 0.220 0.000 2.261 291 W HA 0.382 5.043 4.660 0.002 0.000 0.323 291 W C 1.050 177.655 176.519 0.143 0.000 1.243 291 W CA -0.145 57.290 57.345 0.149 0.000 1.210 291 W CB 0.715 30.243 29.460 0.114 0.000 1.149 291 W HN 0.672 nan 8.180 nan 0.000 0.562 292 S N 2.811 118.707 115.700 0.326 0.000 2.572 292 S HA 0.097 4.568 4.470 0.002 0.000 0.279 292 S C -1.823 172.731 174.600 -0.076 0.000 1.341 292 S CA -0.907 57.284 58.200 -0.014 0.000 1.043 292 S CB 1.131 64.361 63.200 0.050 0.000 0.887 292 S HN 0.298 nan 8.310 nan 0.000 0.516 293 P HA -0.144 nan 4.420 nan 0.000 0.217 293 P C 0.833 178.105 177.300 -0.047 0.000 1.148 293 P CA 1.527 64.540 63.100 -0.145 0.000 0.828 293 P CB -0.094 31.495 31.700 -0.184 0.000 0.783 294 D N -1.178 119.200 120.400 -0.036 0.000 2.340 294 D HA -0.074 4.567 4.640 0.002 0.000 0.220 294 D C 0.438 176.764 176.300 0.044 0.000 1.039 294 D CA 0.181 54.186 54.000 0.008 0.000 0.866 294 D CB -0.812 39.996 40.800 0.014 0.000 0.913 294 D HN 0.183 nan 8.370 nan 0.000 0.523 295 E N -1.406 118.854 120.200 0.100 0.000 3.801 295 E HA -0.221 4.130 4.350 0.002 0.000 0.319 295 E C 0.547 177.319 176.600 0.285 0.000 0.784 295 E CA 0.724 57.238 56.400 0.190 0.000 1.183 295 E CB -1.551 28.139 29.700 -0.016 0.000 1.601 295 E HN 0.258 nan 8.360 nan 0.000 0.441 296 N N 0.069 118.868 118.700 0.166 0.000 2.416 296 N HA 0.042 4.783 4.740 0.002 0.000 0.177 296 N C 0.359 175.896 175.510 0.045 0.000 1.036 296 N CA 0.875 53.991 53.050 0.110 0.000 0.901 296 N CB 0.478 38.996 38.487 0.051 0.000 0.976 296 N HN 0.196 nan 8.380 nan 0.000 0.444 297 I N 1.282 121.840 120.570 -0.019 0.000 2.582 297 I HA 0.243 4.414 4.170 0.002 0.000 0.292 297 I C -0.787 175.079 176.117 -0.419 0.000 1.066 297 I CA -0.900 60.230 61.300 -0.283 0.000 1.053 297 I CB 2.291 40.001 38.000 -0.483 0.000 1.241 297 I HN -0.181 nan 8.210 nan 0.000 0.421 298 L N 7.592 128.466 121.223 -0.581 0.000 2.280 298 L HA 0.469 4.810 4.340 0.002 0.000 0.287 298 L C -1.077 175.477 176.870 -0.528 0.000 1.023 298 L CA -0.250 54.153 54.840 -0.728 0.000 0.819 298 L CB 0.730 42.220 42.059 -0.948 0.000 1.212 298 L HN 0.260 nan 8.230 nan 0.000 0.420 299 Y N 3.918 124.089 120.300 -0.215 0.000 2.299 299 Y HA 0.630 5.181 4.550 0.002 0.000 0.326 299 Y C 0.087 175.898 175.900 -0.148 0.000 1.164 299 Y CA -0.455 57.555 58.100 -0.150 0.000 1.234 299 Y CB 1.500 39.854 38.460 -0.176 0.000 1.219 299 Y HN 0.298 nan 8.280 nan 0.000 0.497 300 V N 1.955 121.909 119.914 0.066 0.000 2.686 300 V HA 0.643 4.764 4.120 0.002 0.000 0.306 300 V C -0.648 175.447 176.094 0.002 0.000 1.065 300 V CA -1.287 61.024 62.300 0.019 0.000 0.894 300 V CB 1.807 33.644 31.823 0.023 0.000 1.004 300 V HN 0.860 nan 8.190 nan 0.000 0.424 301 A N 3.649 126.475 122.820 0.012 0.000 2.279 301 A HA 0.646 4.967 4.320 0.002 0.000 0.306 301 A C 0.005 177.584 177.584 -0.009 0.000 1.300 301 A CA -0.361 51.671 52.037 -0.009 0.000 0.925 301 A CB 0.008 19.111 19.000 0.173 0.000 1.152 301 A HN 0.846 nan 8.150 nan 0.000 0.544 302 E N 1.586 121.761 120.200 -0.041 0.000 2.197 302 E HA 0.480 4.831 4.350 0.002 0.000 0.281 302 E C -1.005 175.548 176.600 -0.078 0.000 0.995 302 E CA -0.571 55.799 56.400 -0.050 0.000 0.808 302 E CB 2.002 31.685 29.700 -0.029 0.000 1.093 302 E HN 0.388 nan 8.360 nan 0.000 0.394 303 V N 3.673 123.519 119.914 -0.114 0.000 2.555 303 V HA 0.165 4.286 4.120 0.002 0.000 0.302 303 V C 0.113 176.152 176.094 -0.091 0.000 1.038 303 V CA -1.160 61.097 62.300 -0.072 0.000 0.887 303 V CB 1.599 33.339 31.823 -0.139 0.000 0.991 303 V HN 0.709 nan 8.190 nan 0.000 0.434 304 N N 3.855 122.520 118.700 -0.059 0.000 2.381 304 N HA 0.125 4.866 4.740 0.002 0.000 0.254 304 N C 0.864 176.308 175.510 -0.110 0.000 1.264 304 N CA -0.599 52.374 53.050 -0.128 0.000 0.942 304 N CB 0.641 39.087 38.487 -0.069 0.000 1.190 304 N HN 0.546 nan 8.380 nan 0.000 0.495 305 R N 0.249 120.640 120.500 -0.181 0.000 2.096 305 R HA 0.010 4.351 4.340 0.002 0.000 0.235 305 R C 1.811 178.183 176.300 0.119 0.000 1.127 305 R CA 1.801 57.848 56.100 -0.088 0.000 0.968 305 R CB -1.010 29.221 30.300 -0.114 0.000 0.861 305 R HN 0.741 nan 8.270 nan 0.000 0.440 306 A N 0.056 122.923 122.820 0.079 0.000 2.070 306 A HA -0.123 4.198 4.320 0.002 0.000 0.220 306 A C 0.599 178.280 177.584 0.162 0.000 1.159 306 A CA 1.316 53.423 52.037 0.117 0.000 0.656 306 A CB -0.213 18.835 19.000 0.081 0.000 0.800 306 A HN 0.601 nan 8.150 nan 0.000 0.453 307 Q N -1.989 117.921 119.800 0.183 0.000 2.502 307 Q HA -0.224 4.116 4.340 0.002 0.000 0.273 307 Q C -0.105 175.999 176.000 0.172 0.000 1.127 307 Q CA 0.731 56.662 55.803 0.213 0.000 0.952 307 Q CB -1.907 26.967 28.738 0.226 0.000 1.333 307 Q HN 1.007 nan 8.270 nan 0.000 0.494 308 N N -0.053 118.720 118.700 0.121 0.000 2.200 308 N HA 0.116 4.857 4.740 0.002 0.000 0.224 308 N C -0.376 175.171 175.510 0.062 0.000 1.179 308 N CA -0.031 53.072 53.050 0.087 0.000 0.877 308 N CB 0.789 39.312 38.487 0.059 0.000 1.072 308 N HN 0.388 nan 8.380 nan 0.000 0.519 309 E N 0.099 120.337 120.200 0.063 0.000 2.278 309 E HA 0.372 4.723 4.350 0.002 0.000 0.272 309 E C -1.780 174.844 176.600 0.040 0.000 0.890 309 E CA -0.849 55.576 56.400 0.041 0.000 0.770 309 E CB 1.954 31.660 29.700 0.010 0.000 1.212 309 E HN 0.190 nan 8.360 nan 0.000 0.415 310 C N 5.488 124.817 119.300 0.048 0.000 2.340 310 C HA 0.561 5.022 4.460 0.002 0.000 0.323 310 C C -0.945 174.012 174.990 -0.055 0.000 1.260 310 C CA -0.506 58.530 59.018 0.030 0.000 1.464 310 C CB -0.021 27.797 27.740 0.129 0.000 2.156 310 C HN 0.676 nan 8.230 nan 0.000 0.476 311 K N 4.961 125.293 120.400 -0.114 0.000 2.265 311 K HA 0.544 4.865 4.320 0.002 0.000 0.267 311 K C -0.914 175.497 176.600 -0.314 0.000 0.994 311 K CA -0.481 55.684 56.287 -0.203 0.000 0.860 311 K CB 1.969 34.397 32.500 -0.119 0.000 1.099 311 K HN 0.546 nan 8.250 nan 0.000 0.448 312 V N 4.277 123.809 119.914 -0.636 0.000 2.368 312 V HA 0.162 4.283 4.120 0.002 0.000 0.266 312 V C -0.263 175.584 176.094 -0.412 0.000 1.045 312 V CA -0.640 61.231 62.300 -0.715 0.000 0.899 312 V CB 0.596 31.540 31.823 -1.465 0.000 1.006 312 V HN 0.682 nan 8.190 nan 0.000 0.470 313 N N 3.086 121.683 118.700 -0.171 0.000 2.319 313 N HA 0.771 5.512 4.740 0.002 0.000 0.305 313 N C -0.411 175.018 175.510 -0.135 0.000 1.103 313 N CA -0.360 52.630 53.050 -0.101 0.000 0.815 313 N CB 2.201 40.720 38.487 0.054 0.000 1.288 313 N HN 0.725 nan 8.380 nan 0.000 0.493 314 A N 1.593 124.189 122.820 -0.373 0.000 2.304 314 A HA 0.689 5.010 4.320 0.002 0.000 0.323 314 A C -1.404 175.733 177.584 -0.746 0.000 1.195 314 A CA -0.361 51.367 52.037 -0.516 0.000 0.826 314 A CB 0.291 19.036 19.000 -0.425 0.000 1.184 314 A HN 0.615 nan 8.150 nan 0.000 0.496 315 Y N 0.221 120.280 120.300 -0.402 0.000 2.446 315 Y HA 0.364 4.915 4.550 0.002 0.000 0.345 315 Y C 0.071 175.797 175.900 -0.289 0.000 0.984 315 Y CA -0.532 57.399 58.100 -0.282 0.000 1.058 315 Y CB 1.925 40.258 38.460 -0.212 0.000 1.220 315 Y HN 0.837 nan 8.280 nan 0.000 0.455 316 D N 1.475 121.844 120.400 -0.052 0.000 2.371 316 D HA 0.315 4.956 4.640 0.002 0.000 0.256 316 D C 0.705 177.001 176.300 -0.008 0.000 1.193 316 D CA 0.362 54.331 54.000 -0.051 0.000 0.881 316 D CB 1.234 42.017 40.800 -0.028 0.000 1.143 316 D HN 0.703 nan 8.370 nan 0.000 0.473 317 A N 3.688 126.511 122.820 0.004 0.000 2.015 317 A HA -0.138 4.183 4.320 0.002 0.000 0.219 317 A C 1.921 179.650 177.584 0.241 0.000 1.163 317 A CA 1.125 53.216 52.037 0.090 0.000 0.646 317 A CB -0.346 18.795 19.000 0.235 0.000 0.806 317 A HN 0.681 nan 8.150 nan 0.000 0.448 318 E N -0.276 120.012 120.200 0.147 0.000 2.076 318 E HA -0.100 4.251 4.350 0.002 0.000 0.190 318 E C 2.029 178.626 176.600 -0.006 0.000 0.979 318 E CA 1.949 58.370 56.400 0.035 0.000 0.807 318 E CB -0.084 29.606 29.700 -0.016 0.000 0.761 318 E HN 0.648 nan 8.360 nan 0.000 0.454 319 T N -4.899 109.668 114.554 0.021 0.000 2.971 319 T HA 0.336 4.687 4.350 0.002 0.000 0.252 319 T C 1.563 176.289 174.700 0.043 0.000 1.022 319 T CA 0.478 62.588 62.100 0.018 0.000 0.980 319 T CB 0.644 69.520 68.868 0.014 0.000 1.044 319 T HN 0.274 nan 8.240 nan 0.000 0.501 320 G N 2.118 110.949 108.800 0.051 0.000 2.179 320 G HA2 -0.281 3.679 3.960 0.002 0.000 0.260 320 G HA3 -0.281 3.679 3.960 0.002 0.000 0.260 320 G C 0.226 175.217 174.900 0.151 0.000 0.977 320 G CA -0.009 45.124 45.100 0.057 0.000 0.641 320 G HN 0.704 nan 8.290 nan 0.000 0.533 321 R N -0.396 120.180 120.500 0.126 0.000 2.590 321 R HA 0.405 4.746 4.340 0.002 0.000 0.274 321 R C 0.483 176.901 176.300 0.197 0.000 1.061 321 R CA -0.446 55.748 56.100 0.157 0.000 1.081 321 R CB 0.360 30.705 30.300 0.074 0.000 0.984 321 R HN 0.241 nan 8.270 nan 0.000 0.448 322 F N 2.677 122.653 119.950 0.043 0.000 2.578 322 F HA -0.031 4.497 4.527 0.002 0.000 0.376 322 F C 0.703 176.352 175.800 -0.252 0.000 1.085 322 F CA 0.135 57.965 58.000 -0.283 0.000 1.260 322 F CB 0.632 39.505 39.000 -0.211 0.000 1.095 322 F HN 0.187 nan 8.300 nan 0.000 0.573 323 V N 5.408 124.643 119.914 -1.132 0.000 2.599 323 V HA 0.232 4.353 4.120 0.002 0.000 0.237 323 V C 0.139 175.584 176.094 -1.082 0.000 1.081 323 V CA 1.026 62.838 62.300 -0.813 0.000 1.107 323 V CB -0.116 31.399 31.823 -0.513 0.000 0.808 323 V HN 0.856 nan 8.190 nan 0.000 0.486 324 R N -1.311 118.347 120.500 -1.402 0.000 2.728 324 R HA 0.374 4.715 4.340 0.002 0.000 0.274 324 R C -1.564 174.424 176.300 -0.520 0.000 1.032 324 R CA -0.573 55.010 56.100 -0.863 0.000 0.866 324 R CB 1.147 31.242 30.300 -0.342 0.000 1.263 324 R HN -0.003 nan 8.270 nan 0.000 0.475 325 T N 2.575 117.103 114.554 -0.044 0.000 2.744 325 T HA 0.252 4.603 4.350 0.002 0.000 0.291 325 T C 0.970 175.641 174.700 -0.049 0.000 0.957 325 T CA -0.529 61.579 62.100 0.013 0.000 1.002 325 T CB 1.071 69.998 68.868 0.099 0.000 0.919 325 T HN 0.400 nan 8.240 nan 0.000 0.468 326 L N 3.299 124.451 121.223 -0.117 0.000 2.023 326 L HA 0.266 4.607 4.340 0.002 0.000 0.205 326 L C 0.396 177.311 176.870 0.075 0.000 1.073 326 L CA 1.490 56.316 54.840 -0.023 0.000 0.745 326 L CB -0.333 41.710 42.059 -0.026 0.000 0.900 326 L HN 0.793 nan 8.230 nan 0.000 0.435 327 F N -4.577 115.281 119.950 -0.154 0.000 2.741 327 F HA 0.689 5.217 4.527 0.002 0.000 0.311 327 F C -1.205 174.509 175.800 -0.143 0.000 1.149 327 F CA -1.653 56.264 58.000 -0.139 0.000 0.930 327 F CB 0.848 39.735 39.000 -0.189 0.000 1.312 327 F HN -0.446 nan 8.300 nan 0.000 0.450 328 V N 1.047 121.042 119.914 0.135 0.000 2.709 328 V HA 0.501 4.622 4.120 0.002 0.000 0.308 328 V C -0.880 175.317 176.094 0.172 0.000 1.062 328 V CA -0.734 61.595 62.300 0.048 0.000 0.901 328 V CB 1.875 33.712 31.823 0.024 0.000 1.003 328 V HN 0.826 nan 8.190 nan 0.000 0.425 329 E N 1.970 122.260 120.200 0.151 0.000 2.212 329 E HA 0.719 5.070 4.350 0.002 0.000 0.268 329 E C -0.724 175.935 176.600 0.098 0.000 0.902 329 E CA -0.570 55.927 56.400 0.161 0.000 0.779 329 E CB 2.548 32.394 29.700 0.243 0.000 1.172 329 E HN 0.861 nan 8.360 nan 0.000 0.409 330 T N -0.722 113.873 114.554 0.069 0.000 2.883 330 T HA 0.627 4.978 4.350 0.002 0.000 0.296 330 T C -1.075 173.635 174.700 0.017 0.000 1.117 330 T CA -0.921 61.203 62.100 0.039 0.000 1.006 330 T CB 2.202 71.082 68.868 0.020 0.000 1.191 330 T HN 0.416 nan 8.240 nan 0.000 0.508 331 D N -1.062 119.331 120.400 -0.011 0.000 2.736 331 D HA 0.325 4.966 4.640 0.002 0.000 0.223 331 D C 0.796 177.021 176.300 -0.124 0.000 1.231 331 D CA -0.751 53.209 54.000 -0.067 0.000 0.818 331 D CB 2.269 43.024 40.800 -0.075 0.000 1.587 331 D HN 0.615 nan 8.370 nan 0.000 0.463 332 K N 0.650 120.918 120.400 -0.219 0.000 2.113 332 K HA -0.191 4.130 4.320 0.002 0.000 0.208 332 K C 0.809 177.132 176.600 -0.461 0.000 1.047 332 K CA 1.604 57.674 56.287 -0.362 0.000 0.928 332 K CB 0.092 32.256 32.500 -0.560 0.000 0.716 332 K HN 0.492 nan 8.250 nan 0.000 0.446 333 H N -2.558 116.335 119.070 -0.295 0.000 2.317 333 H HA 0.116 4.673 4.556 0.002 0.000 0.291 333 H C -0.071 175.029 175.328 -0.380 0.000 0.999 333 H CA 0.810 56.489 56.048 -0.615 0.000 1.336 333 H CB 0.483 29.708 29.762 -0.894 0.000 1.485 333 H HN 0.129 nan 8.280 nan 0.000 0.597 334 Y N -0.689 119.540 120.300 -0.119 0.000 2.565 334 Y HA 0.458 5.009 4.550 0.002 0.000 0.330 334 Y C -0.809 175.080 175.900 -0.017 0.000 1.150 334 Y CA -1.617 56.436 58.100 -0.078 0.000 1.055 334 Y CB 0.822 39.199 38.460 -0.138 0.000 1.337 334 Y HN -0.079 nan 8.280 nan 0.000 0.457 335 V N -0.706 119.340 119.914 0.220 0.000 2.713 335 V HA 0.758 4.879 4.120 0.002 0.000 0.307 335 V C -0.413 175.849 176.094 0.279 0.000 1.052 335 V CA -0.599 61.825 62.300 0.207 0.000 0.967 335 V CB 1.812 33.739 31.823 0.173 0.000 1.019 335 V HN 1.012 nan 8.190 nan 0.000 0.459 336 E N 3.822 124.185 120.200 0.272 0.000 2.908 336 E HA 0.389 4.740 4.350 0.002 0.000 0.291 336 E C -2.887 173.875 176.600 0.269 0.000 1.154 336 E CA -1.601 54.980 56.400 0.302 0.000 0.784 336 E CB 1.775 31.627 29.700 0.254 0.000 1.500 336 E HN 0.788 nan 8.360 nan 0.000 0.382 337 P HA 0.096 nan 4.420 nan 0.000 0.271 337 P C 0.083 177.489 177.300 0.176 0.000 1.220 337 P CA -0.086 63.145 63.100 0.217 0.000 0.768 337 P CB 1.259 33.172 31.700 0.354 0.000 0.848 338 L N 1.904 123.118 121.223 -0.015 0.000 3.174 338 L HA 0.253 4.594 4.340 0.002 0.000 0.283 338 L C 0.167 176.743 176.870 -0.490 0.000 1.187 338 L CA 0.014 54.731 54.840 -0.204 0.000 1.018 338 L CB 0.097 41.972 42.059 -0.307 0.000 1.433 338 L HN 0.472 nan 8.230 nan 0.000 0.593 339 H N -0.663 118.425 119.070 0.029 0.000 2.895 339 H HA 0.410 4.967 4.556 0.002 0.000 0.373 339 H C -2.511 172.894 175.328 0.129 0.000 1.174 339 H CA -1.660 54.435 56.048 0.078 0.000 1.144 339 H CB 1.710 31.495 29.762 0.038 0.000 1.793 339 H HN -0.227 nan 8.280 nan 0.000 0.551 340 P HA 0.099 nan 4.420 nan 0.000 0.276 340 P C -0.670 176.889 177.300 0.432 0.000 1.261 340 P CA -0.686 62.641 63.100 0.377 0.000 0.800 340 P CB 1.152 33.065 31.700 0.355 0.000 1.066 341 L N 0.688 122.138 121.223 0.379 0.000 2.453 341 L HA 0.214 4.555 4.340 0.002 0.000 0.272 341 L C 0.972 178.035 176.870 0.321 0.000 1.182 341 L CA 1.336 56.327 54.840 0.251 0.000 0.858 341 L CB -0.437 41.388 42.059 -0.390 0.000 1.120 341 L HN 0.327 nan 8.230 nan 0.000 0.474 342 T N 3.895 118.696 114.554 0.411 0.000 2.842 342 T HA 0.442 4.793 4.350 0.002 0.000 0.308 342 T C -0.212 174.806 174.700 0.530 0.000 1.041 342 T CA -0.365 62.063 62.100 0.546 0.000 0.964 342 T CB -0.022 69.274 68.868 0.712 0.000 0.972 342 T HN 0.034 nan 8.240 nan 0.000 0.460 343 F N 2.456 122.673 119.950 0.445 0.000 2.471 343 F HA 0.276 4.804 4.527 0.002 0.000 0.353 343 F C 0.752 176.653 175.800 0.169 0.000 1.113 343 F CA -0.942 57.265 58.000 0.345 0.000 1.262 343 F CB 0.271 39.422 39.000 0.251 0.000 1.146 343 F HN 0.288 nan 8.300 nan 0.000 0.578 344 L N 5.160 126.461 121.223 0.130 0.000 2.506 344 L HA 0.116 4.457 4.340 0.002 0.000 0.281 344 L C -1.961 174.760 176.870 -0.250 0.000 1.228 344 L CA -1.282 53.331 54.840 -0.378 0.000 0.850 344 L CB -0.630 41.324 42.059 -0.176 0.000 1.110 344 L HN 0.384 nan 8.230 nan 0.000 0.496 345 P HA 0.101 nan 4.420 nan 0.000 0.262 345 P C 0.717 177.993 177.300 -0.040 0.000 1.182 345 P CA 0.905 63.918 63.100 -0.146 0.000 0.761 345 P CB 0.464 32.089 31.700 -0.125 0.000 0.795 346 G N 1.846 110.656 108.800 0.017 0.000 2.175 346 G HA2 -0.258 3.703 3.960 0.002 0.000 0.265 346 G HA3 -0.258 3.703 3.960 0.002 0.000 0.265 346 G C 0.366 175.299 174.900 0.054 0.000 0.979 346 G CA 0.388 45.508 45.100 0.033 0.000 0.663 346 G HN 0.767 nan 8.290 nan 0.000 0.533 347 S N -0.716 115.038 115.700 0.089 0.000 2.454 347 S HA 0.596 5.067 4.470 0.002 0.000 0.306 347 S C 0.684 175.415 174.600 0.217 0.000 1.100 347 S CA 0.026 58.316 58.200 0.149 0.000 1.087 347 S CB 1.353 64.655 63.200 0.169 0.000 1.019 347 S HN 0.356 nan 8.310 nan 0.000 0.480 348 N N 3.359 122.163 118.700 0.174 0.000 2.236 348 N HA 0.253 4.994 4.740 0.002 0.000 0.196 348 N C 0.417 176.132 175.510 0.342 0.000 1.114 348 N CA 0.187 53.307 53.050 0.116 0.000 0.859 348 N CB 0.217 38.733 38.487 0.048 0.000 0.982 348 N HN 0.516 nan 8.380 nan 0.000 0.493 349 N N -0.704 118.244 118.700 0.413 0.000 2.193 349 N HA 0.146 4.887 4.740 0.002 0.000 0.210 349 N C -0.791 174.924 175.510 0.341 0.000 1.215 349 N CA 0.197 53.469 53.050 0.370 0.000 0.901 349 N CB 0.828 39.439 38.487 0.207 0.000 1.060 349 N HN 0.293 nan 8.380 nan 0.000 0.508 350 Q N 0.152 120.153 119.800 0.334 0.000 2.347 350 Q HA 0.534 4.875 4.340 0.002 0.000 0.271 350 Q C -1.333 174.687 176.000 0.034 0.000 1.064 350 Q CA -0.844 55.014 55.803 0.091 0.000 0.800 350 Q CB 2.554 31.316 28.738 0.040 0.000 1.304 350 Q HN 0.123 nan 8.270 nan 0.000 0.438 351 F N -0.886 118.943 119.950 -0.201 0.000 2.662 351 F HA 0.683 5.211 4.527 0.002 0.000 0.312 351 F C -1.418 174.400 175.800 0.030 0.000 1.113 351 F CA -1.425 56.402 58.000 -0.288 0.000 0.951 351 F CB 1.000 39.422 39.000 -0.964 0.000 1.344 351 F HN 0.237 nan 8.300 nan 0.000 0.462 352 I N 2.616 123.403 120.570 0.362 0.000 2.359 352 I HA 0.176 4.347 4.170 0.002 0.000 0.294 352 I C -0.979 175.442 176.117 0.506 0.000 0.987 352 I CA -0.598 60.867 61.300 0.274 0.000 1.225 352 I CB 1.378 39.406 38.000 0.048 0.000 1.366 352 I HN 0.835 nan 8.210 nan 0.000 0.466 353 W N 7.246 128.707 121.300 0.268 0.000 2.656 353 W HA 0.377 5.038 4.660 0.002 0.000 0.327 353 W C -1.188 175.475 176.519 0.240 0.000 1.041 353 W CA -0.622 56.917 57.345 0.324 0.000 1.229 353 W CB 1.783 31.494 29.460 0.418 0.000 1.397 353 W HN 0.541 nan 8.180 nan 0.000 0.479 354 Q N 3.528 123.079 119.800 -0.415 0.000 2.261 354 Q HA 0.362 4.702 4.340 0.002 0.000 0.252 354 Q C -0.598 175.058 176.000 -0.572 0.000 0.915 354 Q CA -0.001 55.584 55.803 -0.363 0.000 0.915 354 Q CB 2.130 30.704 28.738 -0.274 0.000 1.204 354 Q HN 0.331 nan 8.270 nan 0.000 0.421 355 S N 1.223 116.855 115.700 -0.113 0.000 2.543 355 S HA 0.304 4.775 4.470 0.002 0.000 0.271 355 S C -0.527 174.134 174.600 0.103 0.000 1.148 355 S CA -0.693 57.480 58.200 -0.045 0.000 0.914 355 S CB 1.411 64.566 63.200 -0.075 0.000 1.096 355 S HN 0.726 nan 8.310 nan 0.000 0.471 356 R N 2.080 122.621 120.500 0.068 0.000 2.426 356 R HA 0.148 4.489 4.340 0.002 0.000 0.263 356 R C 2.110 178.447 176.300 0.061 0.000 0.961 356 R CA 0.080 56.215 56.100 0.059 0.000 1.086 356 R CB -0.025 30.286 30.300 0.018 0.000 1.186 356 R HN 0.744 nan 8.270 nan 0.000 0.537 357 R N 0.326 120.873 120.500 0.078 0.000 2.117 357 R HA -0.148 4.193 4.340 0.002 0.000 0.243 357 R C 0.856 177.201 176.300 0.075 0.000 1.143 357 R CA 1.971 58.103 56.100 0.053 0.000 0.968 357 R CB -0.449 29.856 30.300 0.008 0.000 0.863 357 R HN 0.125 nan 8.270 nan 0.000 0.444 358 D N -0.565 119.930 120.400 0.158 0.000 2.328 358 D HA 0.080 4.721 4.640 0.002 0.000 0.226 358 D C 1.079 177.492 176.300 0.188 0.000 1.066 358 D CA 0.625 54.733 54.000 0.181 0.000 0.861 358 D CB 0.507 41.446 40.800 0.232 0.000 0.912 358 D HN 0.511 nan 8.370 nan 0.000 0.521 359 G N -1.024 107.795 108.800 0.032 0.000 2.201 359 G HA2 -0.187 3.774 3.960 0.002 0.000 0.212 359 G HA3 -0.187 3.774 3.960 0.002 0.000 0.212 359 G C -0.479 173.987 174.900 -0.722 0.000 0.994 359 G CA -0.179 44.747 45.100 -0.290 0.000 0.644 359 G HN 0.211 nan 8.290 nan 0.000 0.508 360 W N 0.085 121.368 121.300 -0.028 0.000 3.274 360 W HA 0.617 5.278 4.660 0.001 0.000 0.327 360 W C -0.374 175.980 176.519 -0.276 0.000 1.172 360 W CA -1.318 55.931 57.345 -0.160 0.000 1.217 360 W CB 0.919 30.247 29.460 -0.220 0.000 1.376 360 W HN 0.143 nan 8.180 nan 0.000 0.507 361 N N 2.681 121.300 118.700 -0.134 0.000 2.431 361 N HA 0.107 4.848 4.740 0.002 0.000 0.265 361 N C -0.599 174.632 175.510 -0.465 0.000 1.184 361 N CA 0.772 53.722 53.050 -0.166 0.000 0.943 361 N CB 0.188 38.645 38.487 -0.051 0.000 1.080 361 N HN 0.362 nan 8.380 nan 0.000 0.477 362 H N 2.218 121.267 119.070 -0.036 0.000 2.907 362 H HA 0.426 4.983 4.556 0.002 0.000 0.361 362 H C -0.568 174.628 175.328 -0.220 0.000 1.194 362 H CA -0.647 55.258 56.048 -0.238 0.000 1.152 362 H CB 1.097 30.636 29.762 -0.371 0.000 1.867 362 H HN 0.310 nan 8.280 nan 0.000 0.561 363 L N 2.162 123.213 121.223 -0.287 0.000 2.275 363 L HA 0.316 4.657 4.340 0.002 0.000 0.288 363 L C -0.912 175.737 176.870 -0.368 0.000 1.046 363 L CA -0.534 54.110 54.840 -0.327 0.000 0.805 363 L CB 0.337 42.064 42.059 -0.553 0.000 1.193 363 L HN 0.334 nan 8.230 nan 0.000 0.426 364 Y N 3.069 123.309 120.300 -0.100 0.000 2.393 364 Y HA 0.471 5.022 4.550 0.002 0.000 0.341 364 Y C -0.312 175.525 175.900 -0.105 0.000 0.988 364 Y CA -0.804 57.243 58.100 -0.089 0.000 1.078 364 Y CB 2.115 40.609 38.460 0.057 0.000 1.203 364 Y HN 0.347 nan 8.280 nan 0.000 0.453 365 L N 4.505 125.639 121.223 -0.149 0.000 2.265 365 L HA 0.510 4.851 4.340 0.002 0.000 0.289 365 L C -1.793 174.813 176.870 -0.441 0.000 1.033 365 L CA -0.604 54.106 54.840 -0.216 0.000 0.814 365 L CB -0.157 41.796 42.059 -0.177 0.000 1.203 365 L HN 0.535 nan 8.230 nan 0.000 0.423 366 Y N 2.321 122.281 120.300 -0.567 0.000 2.524 366 Y HA 0.487 5.038 4.550 0.002 0.000 0.344 366 Y C -0.161 175.321 175.900 -0.698 0.000 1.012 366 Y CA -0.747 56.924 58.100 -0.715 0.000 1.068 366 Y CB 1.676 39.463 38.460 -1.122 0.000 1.249 366 Y HN 0.736 nan 8.280 nan 0.000 0.468 367 D N -1.771 118.522 120.400 -0.178 0.000 2.385 367 D HA 0.146 4.787 4.640 0.002 0.000 0.254 367 D C 0.735 177.129 176.300 0.157 0.000 1.053 367 D CA -0.585 53.395 54.000 -0.033 0.000 0.992 367 D CB 1.021 41.838 40.800 0.028 0.000 1.145 367 D HN 0.556 nan 8.370 nan 0.000 0.523 368 T N -3.623 111.113 114.554 0.303 0.000 3.163 368 T HA -0.081 4.270 4.350 0.002 0.000 0.260 368 T C 1.528 176.400 174.700 0.287 0.000 1.156 368 T CA 1.051 63.403 62.100 0.420 0.000 1.072 368 T CB -0.975 68.181 68.868 0.480 0.000 0.937 368 T HN 0.597 nan 8.240 nan 0.000 0.528 369 T N -1.971 112.703 114.554 0.201 0.000 3.067 369 T HA 0.390 4.741 4.350 0.002 0.000 0.261 369 T C 1.957 176.752 174.700 0.160 0.000 1.110 369 T CA 0.696 62.882 62.100 0.143 0.000 1.113 369 T CB -0.497 68.429 68.868 0.097 0.000 0.917 369 T HN 0.851 nan 8.240 nan 0.000 0.499 370 G N 1.354 110.294 108.800 0.232 0.000 2.179 370 G HA2 -0.227 3.734 3.960 0.002 0.000 0.220 370 G HA3 -0.227 3.734 3.960 0.002 0.000 0.220 370 G C 0.100 175.199 174.900 0.333 0.000 0.990 370 G CA -0.088 45.198 45.100 0.309 0.000 0.646 370 G HN 0.824 nan 8.290 nan 0.000 0.517 371 R N 0.492 121.110 120.500 0.198 0.000 2.347 371 R HA 0.500 4.841 4.340 0.002 0.000 0.304 371 R C 0.287 176.551 176.300 -0.060 0.000 1.072 371 R CA -0.656 55.492 56.100 0.079 0.000 0.980 371 R CB 0.270 30.582 30.300 0.021 0.000 0.986 371 R HN 0.330 nan 8.270 nan 0.000 0.448 372 L N 6.449 127.515 121.223 -0.261 0.000 2.361 372 L HA 0.157 4.498 4.340 0.002 0.000 0.278 372 L C 0.588 177.207 176.870 -0.420 0.000 1.113 372 L CA 0.468 54.856 54.840 -0.753 0.000 0.849 372 L CB 0.724 42.367 42.059 -0.694 0.000 1.155 372 L HN 0.818 nan 8.230 nan 0.000 0.452 373 I N 4.193 124.512 120.570 -0.418 0.000 2.206 373 I HA 0.003 4.174 4.170 0.002 0.000 0.239 373 I C 0.730 176.709 176.117 -0.230 0.000 1.078 373 I CA 0.773 61.922 61.300 -0.251 0.000 1.367 373 I CB -0.158 37.720 38.000 -0.203 0.000 1.078 373 I HN 0.746 nan 8.210 nan 0.000 0.413 374 R N 0.520 120.860 120.500 -0.266 0.000 2.664 374 R HA 0.289 4.630 4.340 0.002 0.000 0.266 374 R C -1.039 175.102 176.300 -0.265 0.000 1.046 374 R CA -0.783 55.182 56.100 -0.224 0.000 0.885 374 R CB 0.889 31.079 30.300 -0.183 0.000 1.254 374 R HN -0.046 nan 8.270 nan 0.000 0.465 375 Q N 1.888 121.515 119.800 -0.289 0.000 2.262 375 Q HA 0.110 4.451 4.340 0.002 0.000 0.272 375 Q C 0.117 175.833 176.000 -0.474 0.000 1.076 375 Q CA -0.195 55.266 55.803 -0.570 0.000 0.905 375 Q CB 1.336 29.707 28.738 -0.611 0.000 1.182 375 Q HN 0.599 nan 8.270 nan 0.000 0.390 376 V N 2.806 122.430 119.914 -0.483 0.000 2.331 376 V HA -0.063 4.058 4.120 0.002 0.000 0.242 376 V C 1.065 176.945 176.094 -0.357 0.000 1.034 376 V CA 1.747 63.842 62.300 -0.343 0.000 1.027 376 V CB -0.153 31.501 31.823 -0.282 0.000 0.667 376 V HN 0.943 nan 8.190 nan 0.000 0.457 377 T N 0.791 115.064 114.554 -0.470 0.000 2.907 377 T HA 0.634 4.985 4.350 0.002 0.000 0.284 377 T C -0.658 173.477 174.700 -0.942 0.000 1.004 377 T CA -0.706 61.114 62.100 -0.467 0.000 1.063 377 T CB 1.664 70.330 68.868 -0.337 0.000 0.992 377 T HN 0.616 nan 8.240 nan 0.000 0.483 378 K N 0.442 120.257 120.400 -0.976 0.000 2.556 378 K HA 0.793 5.114 4.320 0.002 0.000 0.274 378 K C -0.524 175.493 176.600 -0.971 0.000 0.966 378 K CA -1.261 54.224 56.287 -1.336 0.000 0.865 378 K CB 1.708 33.775 32.500 -0.721 0.000 1.444 378 K HN 1.270 nan 8.250 nan 0.000 0.433 379 G N 0.690 108.925 108.800 -0.942 0.000 2.347 379 G HA2 0.019 3.980 3.960 0.002 0.000 0.321 379 G HA3 0.019 3.980 3.960 0.002 0.000 0.321 379 G C -1.553 172.682 174.900 -1.108 0.000 1.412 379 G CA -0.997 43.627 45.100 -0.793 0.000 0.990 379 G HN 0.541 nan 8.290 nan 0.000 0.637 380 E N 1.349 120.964 120.200 -0.975 0.000 2.261 380 E HA 0.257 4.608 4.350 0.002 0.000 0.308 380 E C -0.051 175.820 176.600 -1.216 0.000 1.400 380 E CA -0.249 55.075 56.400 -1.793 0.000 1.542 380 E CB 0.109 29.175 29.700 -1.056 0.000 1.369 380 E HN 0.460 nan 8.360 nan 0.000 0.493 381 W N 0.027 120.869 121.300 -0.762 0.000 2.937 381 W HA 0.458 5.119 4.660 0.002 0.000 0.360 381 W C -0.997 175.543 176.519 0.035 0.000 1.215 381 W CA -0.840 56.408 57.345 -0.163 0.000 1.183 381 W CB 0.544 29.915 29.460 -0.148 0.000 1.458 381 W HN -0.159 nan 8.180 nan 0.000 0.574 382 E N 1.066 121.510 120.200 0.407 0.000 2.266 382 E HA 0.422 4.773 4.350 0.002 0.000 0.268 382 E C -0.949 175.814 176.600 0.272 0.000 0.879 382 E CA -1.160 55.319 56.400 0.132 0.000 0.762 382 E CB 3.417 33.217 29.700 0.166 0.000 1.199 382 E HN 0.158 nan 8.360 nan 0.000 0.422 383 V N 2.303 122.270 119.914 0.088 0.000 2.508 383 V HA 0.016 4.137 4.120 0.002 0.000 0.281 383 V C 1.241 177.445 176.094 0.183 0.000 1.041 383 V CA 0.679 63.102 62.300 0.206 0.000 1.016 383 V CB 0.838 32.643 31.823 -0.030 0.000 0.984 383 V HN 0.952 nan 8.190 nan 0.000 0.478 384 T N 0.130 114.845 114.554 0.269 0.000 2.971 384 T HA 0.194 4.545 4.350 0.002 0.000 0.252 384 T C 0.506 175.356 174.700 0.249 0.000 1.022 384 T CA -0.088 62.158 62.100 0.242 0.000 0.980 384 T CB 0.100 69.117 68.868 0.248 0.000 1.044 384 T HN 0.568 nan 8.240 nan 0.000 0.501 385 N N 0.044 118.920 118.700 0.293 0.000 2.537 385 N HA 0.267 5.008 4.740 0.002 0.000 0.281 385 N C -2.091 173.645 175.510 0.377 0.000 1.097 385 N CA -0.434 52.791 53.050 0.292 0.000 0.964 385 N CB 1.876 40.545 38.487 0.303 0.000 1.588 385 N HN 0.109 nan 8.380 nan 0.000 0.511 386 F N 3.909 123.924 119.950 0.107 0.000 2.390 386 F HA 0.548 5.076 4.527 0.002 0.000 0.361 386 F C 0.669 176.567 175.800 0.163 0.000 1.124 386 F CA -0.588 57.477 58.000 0.108 0.000 1.149 386 F CB 0.845 39.829 39.000 -0.026 0.000 1.160 386 F HN 0.616 nan 8.300 nan 0.000 0.501 387 A N 4.021 126.825 122.820 -0.026 0.000 2.095 387 A HA 0.630 4.951 4.320 0.002 0.000 0.212 387 A C 1.154 178.537 177.584 -0.336 0.000 1.162 387 A CA 0.792 52.812 52.037 -0.029 0.000 0.753 387 A CB -0.716 18.537 19.000 0.422 0.000 0.840 387 A HN 1.384 nan 8.150 nan 0.000 0.468 388 G N -1.961 106.359 108.800 -0.799 0.000 2.260 388 G HA2 0.308 4.269 3.960 0.002 0.000 0.250 388 G HA3 0.308 4.269 3.960 0.002 0.000 0.250 388 G C -0.971 173.709 174.900 -0.366 0.000 1.340 388 G CA -0.554 44.098 45.100 -0.746 0.000 1.056 388 G HN 0.379 nan 8.290 nan 0.000 0.471 389 F N 1.328 121.425 119.950 0.244 0.000 2.611 389 F HA 0.574 5.102 4.527 0.002 0.000 0.324 389 F C 0.271 176.300 175.800 0.382 0.000 1.061 389 F CA -0.345 57.852 58.000 0.329 0.000 0.954 389 F CB 1.467 40.614 39.000 0.245 0.000 1.301 389 F HN 0.654 nan 8.300 nan 0.000 0.482 390 D N 0.519 121.273 120.400 0.591 0.000 2.357 390 D HA 0.130 4.771 4.640 0.002 0.000 0.242 390 D C -2.185 174.282 176.300 0.278 0.000 1.153 390 D CA -1.857 52.396 54.000 0.422 0.000 0.918 390 D CB 0.295 41.295 40.800 0.334 0.000 1.181 390 D HN 0.133 nan 8.370 nan 0.000 0.435 391 P HA -0.146 nan 4.420 nan 0.000 0.217 391 P C 0.828 178.184 177.300 0.093 0.000 1.148 391 P CA 1.675 64.845 63.100 0.116 0.000 0.828 391 P CB 0.113 31.858 31.700 0.075 0.000 0.783 392 K N -1.985 118.475 120.400 0.100 0.000 2.418 392 K HA 0.174 4.495 4.320 0.002 0.000 0.195 392 K C 1.175 177.811 176.600 0.060 0.000 1.035 392 K CA 0.670 56.999 56.287 0.069 0.000 1.003 392 K CB -0.421 32.119 32.500 0.068 0.000 0.793 392 K HN 0.109 nan 8.250 nan 0.000 0.494 393 G N 2.345 111.205 108.800 0.100 0.000 2.221 393 G HA2 -0.282 3.679 3.960 0.002 0.000 0.265 393 G HA3 -0.282 3.679 3.960 0.002 0.000 0.265 393 G C 0.654 175.639 174.900 0.141 0.000 1.041 393 G CA 0.875 46.031 45.100 0.093 0.000 0.807 393 G HN 0.439 nan 8.290 nan 0.000 0.502 394 T N -3.786 110.853 114.554 0.142 0.000 3.023 394 T HA 0.495 4.846 4.350 0.002 0.000 0.253 394 T C 0.911 175.664 174.700 0.089 0.000 1.038 394 T CA 0.412 62.570 62.100 0.098 0.000 0.962 394 T CB 0.764 69.671 68.868 0.065 0.000 1.018 394 T HN 0.503 nan 8.240 nan 0.000 0.521 395 R N 0.086 120.655 120.500 0.116 0.000 2.795 395 R HA 0.734 5.075 4.340 0.002 0.000 0.275 395 R C -1.420 174.889 176.300 0.015 0.000 0.981 395 R CA -0.781 55.312 56.100 -0.012 0.000 0.917 395 R CB 2.001 32.199 30.300 -0.170 0.000 1.202 395 R HN 0.184 nan 8.270 nan 0.000 0.469 396 L N 2.668 123.845 121.223 -0.078 0.000 2.329 396 L HA 0.536 4.877 4.340 0.002 0.000 0.279 396 L C -1.087 175.715 176.870 -0.113 0.000 1.014 396 L CA -0.854 54.007 54.840 0.035 0.000 0.814 396 L CB 1.255 43.389 42.059 0.126 0.000 1.257 396 L HN 0.526 nan 8.230 nan 0.000 0.424 397 Y N 2.902 123.326 120.300 0.208 0.000 2.377 397 Y HA 0.671 5.222 4.550 0.002 0.000 0.339 397 Y C -0.173 175.759 175.900 0.053 0.000 1.011 397 Y CA -0.647 57.414 58.100 -0.065 0.000 1.093 397 Y CB 1.784 40.194 38.460 -0.082 0.000 1.201 397 Y HN 0.444 nan 8.280 nan 0.000 0.455 398 F N -1.065 118.677 119.950 -0.347 0.000 2.744 398 F HA 0.449 4.977 4.527 0.002 0.000 0.311 398 F C -1.456 174.323 175.800 -0.035 0.000 1.144 398 F CA -1.344 56.632 58.000 -0.041 0.000 0.938 398 F CB 1.336 40.438 39.000 0.171 0.000 1.292 398 F HN 0.384 nan 8.300 nan 0.000 0.444 399 E N 1.637 122.074 120.200 0.396 0.000 2.266 399 E HA 0.644 4.995 4.350 0.002 0.000 0.277 399 E C -0.975 175.921 176.600 0.494 0.000 1.018 399 E CA -0.331 56.329 56.400 0.433 0.000 0.840 399 E CB 1.610 31.576 29.700 0.443 0.000 1.082 399 E HN 0.916 nan 8.360 nan 0.000 0.395 400 S N 1.166 117.136 115.700 0.450 0.000 2.656 400 S HA 0.218 4.689 4.470 0.002 0.000 0.273 400 S C 0.231 174.992 174.600 0.268 0.000 1.168 400 S CA -0.166 58.260 58.200 0.378 0.000 0.817 400 S CB 1.187 64.588 63.200 0.336 0.000 1.146 400 S HN 0.517 nan 8.310 nan 0.000 0.475 401 T N -2.239 112.455 114.554 0.234 0.000 3.188 401 T HA 0.264 4.615 4.350 0.002 0.000 0.250 401 T C 1.098 175.793 174.700 -0.009 0.000 1.077 401 T CA 0.579 62.768 62.100 0.149 0.000 0.967 401 T CB -0.315 68.673 68.868 0.200 0.000 1.006 401 T HN 0.724 nan 8.240 nan 0.000 0.552 402 E N 1.573 121.586 120.200 -0.311 0.000 2.070 402 E HA -0.206 4.145 4.350 0.002 0.000 0.197 402 E C 2.330 178.681 176.600 -0.415 0.000 1.004 402 E CA 1.438 57.366 56.400 -0.788 0.000 0.805 402 E CB -0.490 28.174 29.700 -1.727 0.000 0.744 402 E HN 0.678 nan 8.360 nan 0.000 0.451 403 A N 0.082 122.705 122.820 -0.329 0.000 1.902 403 A HA -0.060 4.261 4.320 0.002 0.000 0.217 403 A C 1.234 178.697 177.584 -0.201 0.000 1.181 403 A CA 1.357 53.188 52.037 -0.343 0.000 0.623 403 A CB -0.088 18.427 19.000 -0.808 0.000 0.818 403 A HN 0.261 nan 8.150 nan 0.000 0.443 404 S N -3.086 112.529 115.700 -0.141 0.000 2.675 404 S HA 0.351 4.822 4.470 0.002 0.000 0.297 404 S C -2.814 171.755 174.600 -0.051 0.000 1.035 404 S CA -0.241 57.903 58.200 -0.094 0.000 0.852 404 S CB 1.220 64.356 63.200 -0.107 0.000 1.051 404 S HN -0.060 nan 8.310 nan 0.000 0.451 405 P HA 0.050 nan 4.420 nan 0.000 0.225 405 P C 1.143 178.406 177.300 -0.062 0.000 1.148 405 P CA 0.733 63.819 63.100 -0.023 0.000 0.779 405 P CB -0.100 31.582 31.700 -0.029 0.000 0.780 406 L N -1.375 119.762 121.223 -0.143 0.000 2.591 406 L HA 0.157 4.498 4.340 0.002 0.000 0.228 406 L C 1.107 177.963 176.870 -0.023 0.000 1.133 406 L CA 0.428 55.190 54.840 -0.130 0.000 0.880 406 L CB -0.325 41.582 42.059 -0.253 0.000 1.033 406 L HN -0.010 nan 8.230 nan 0.000 0.450 407 E N 0.033 120.256 120.200 0.039 0.000 2.359 407 E HA 0.548 4.899 4.350 0.002 0.000 0.266 407 E C -0.705 176.035 176.600 0.234 0.000 0.920 407 E CA -0.975 55.520 56.400 0.159 0.000 0.788 407 E CB 2.092 31.929 29.700 0.229 0.000 1.279 407 E HN -0.065 nan 8.360 nan 0.000 0.438 408 R N 1.497 122.212 120.500 0.359 0.000 2.502 408 R HA 0.437 4.778 4.340 0.002 0.000 0.300 408 R C -0.849 175.779 176.300 0.546 0.000 0.984 408 R CA -0.430 55.905 56.100 0.392 0.000 0.882 408 R CB 1.215 31.683 30.300 0.279 0.000 1.180 408 R HN 0.630 nan 8.270 nan 0.000 0.444 409 H N 0.994 120.197 119.070 0.222 0.000 2.771 409 H HA 0.417 4.974 4.556 0.002 0.000 0.367 409 H C -0.922 174.392 175.328 -0.022 0.000 1.172 409 H CA -0.790 55.249 56.048 -0.014 0.000 1.186 409 H CB 2.745 32.317 29.762 -0.316 0.000 1.790 409 H HN 0.287 nan 8.280 nan 0.000 0.556 410 F N 1.959 121.712 119.950 -0.329 0.000 2.436 410 F HA 0.316 4.844 4.527 0.002 0.000 0.340 410 F C -1.348 174.141 175.800 -0.519 0.000 1.113 410 F CA -0.480 57.370 58.000 -0.251 0.000 1.022 410 F CB 0.472 39.378 39.000 -0.157 0.000 1.128 410 F HN 0.356 nan 8.300 nan 0.000 0.466 411 Y N 3.569 123.350 120.300 -0.866 0.000 2.602 411 Y HA 0.561 5.112 4.550 0.002 0.000 0.342 411 Y C -0.440 174.978 175.900 -0.802 0.000 1.029 411 Y CA -1.164 56.447 58.100 -0.816 0.000 1.080 411 Y CB 1.521 39.366 38.460 -1.024 0.000 1.284 411 Y HN 0.653 nan 8.280 nan 0.000 0.485 412 C N 3.253 122.397 119.300 -0.261 0.000 2.456 412 C HA 0.832 5.293 4.460 0.002 0.000 0.325 412 C C -0.616 174.319 174.990 -0.093 0.000 1.217 412 C CA -0.744 58.117 59.018 -0.263 0.000 1.687 412 C CB -0.350 27.294 27.740 -0.161 0.000 2.270 412 C HN 0.796 nan 8.230 nan 0.000 0.499 413 I N 4.166 124.721 120.570 -0.026 0.000 2.722 413 I HA 0.320 4.491 4.170 0.002 0.000 0.295 413 I C -0.566 175.544 176.117 -0.010 0.000 1.161 413 I CA -0.264 61.072 61.300 0.059 0.000 1.032 413 I CB 1.607 39.738 38.000 0.218 0.000 1.244 413 I HN 0.689 nan 8.210 nan 0.000 0.421 414 D N 5.031 125.424 120.400 -0.011 0.000 2.443 414 D HA -0.016 4.625 4.640 0.002 0.000 0.239 414 D C 1.070 177.363 176.300 -0.010 0.000 1.136 414 D CA 0.311 54.303 54.000 -0.013 0.000 0.879 414 D CB 1.304 42.097 40.800 -0.012 0.000 1.195 414 D HN 0.580 nan 8.370 nan 0.000 0.443 415 I N 3.751 124.325 120.570 0.008 0.000 2.423 415 I HA -0.241 3.930 4.170 0.002 0.000 0.254 415 I C 1.995 178.093 176.117 -0.032 0.000 1.151 415 I CA 1.347 62.652 61.300 0.009 0.000 1.421 415 I CB 0.120 38.156 38.000 0.060 0.000 1.079 415 I HN 0.366 nan 8.210 nan 0.000 0.431 416 K N 0.878 121.260 120.400 -0.031 0.000 2.504 416 K HA 0.197 4.518 4.320 0.002 0.000 0.195 416 K C 1.062 177.621 176.600 -0.069 0.000 1.036 416 K CA 0.532 56.790 56.287 -0.049 0.000 0.984 416 K CB -0.270 32.209 32.500 -0.036 0.000 0.788 416 K HN 0.570 nan 8.250 nan 0.000 0.488 417 G N 0.015 108.774 108.800 -0.067 0.000 2.545 417 G HA2 0.039 4.000 3.960 0.002 0.000 0.216 417 G HA3 0.039 4.000 3.960 0.002 0.000 0.216 417 G C 0.306 175.175 174.900 -0.051 0.000 1.314 417 G CA -0.495 44.556 45.100 -0.083 0.000 0.906 417 G HN 0.610 nan 8.290 nan 0.000 0.563 418 G N -0.521 108.245 108.800 -0.056 0.000 2.496 418 G HA2 0.068 4.029 3.960 0.002 0.000 0.243 418 G HA3 0.068 4.029 3.960 0.002 0.000 0.243 418 G C 0.257 175.154 174.900 -0.006 0.000 1.176 418 G CA 1.040 46.120 45.100 -0.033 0.000 0.940 418 G HN 1.517 nan 8.290 nan 0.000 0.573 419 K N 1.842 122.242 120.400 0.000 0.000 2.276 419 K HA 0.533 4.854 4.320 0.002 0.000 0.283 419 K C 0.948 177.563 176.600 0.025 0.000 1.044 419 K CA 0.408 56.701 56.287 0.010 0.000 0.944 419 K CB 0.396 32.896 32.500 -0.001 0.000 1.012 419 K HN 0.843 nan 8.250 nan 0.000 0.472 420 T N 1.013 115.584 114.554 0.028 0.000 2.904 420 T HA 0.192 4.543 4.350 0.002 0.000 0.290 420 T C -0.171 174.559 174.700 0.051 0.000 1.018 420 T CA -0.710 61.414 62.100 0.039 0.000 1.075 420 T CB 1.163 69.986 68.868 -0.075 0.000 0.986 420 T HN 0.492 nan 8.240 nan 0.000 0.523 421 K N 1.508 121.947 120.400 0.066 0.000 2.358 421 K HA 0.201 4.522 4.320 0.002 0.000 0.260 421 K C -1.159 175.445 176.600 0.007 0.000 0.956 421 K CA -0.682 55.628 56.287 0.037 0.000 0.834 421 K CB 1.184 33.684 32.500 0.000 0.000 1.102 421 K HN 0.709 nan 8.250 nan 0.000 0.431 422 D N 5.161 125.516 120.400 -0.075 0.000 2.338 422 D HA 0.059 4.700 4.640 0.002 0.000 0.255 422 D C 0.740 176.855 176.300 -0.309 0.000 1.237 422 D CA -0.077 53.653 54.000 -0.449 0.000 0.883 422 D CB 0.815 41.411 40.800 -0.341 0.000 1.087 422 D HN 0.571 nan 8.370 nan 0.000 0.485 423 L N 2.742 123.772 121.223 -0.322 0.000 2.558 423 L HA 0.081 4.422 4.340 0.002 0.000 0.225 423 L C 1.086 177.810 176.870 -0.243 0.000 1.128 423 L CA 0.404 55.148 54.840 -0.160 0.000 0.868 423 L CB -0.048 42.027 42.059 0.027 0.000 1.006 423 L HN 0.472 nan 8.230 nan 0.000 0.454 424 T N -4.359 109.939 114.554 -0.426 0.000 3.542 424 T HA 0.263 4.614 4.350 0.002 0.000 0.276 424 T C -2.010 172.225 174.700 -0.774 0.000 1.412 424 T CA -1.303 60.366 62.100 -0.718 0.000 1.664 424 T CB 0.768 68.966 68.868 -1.117 0.000 0.863 424 T HN -0.157 nan 8.240 nan 0.000 0.661 425 P HA -0.029 nan 4.420 nan 0.000 0.225 425 P C 0.506 177.740 177.300 -0.109 0.000 1.148 425 P CA 0.533 63.535 63.100 -0.163 0.000 0.779 425 P CB 0.277 31.908 31.700 -0.116 0.000 0.780 426 E N 0.869 120.926 120.200 -0.237 0.000 2.384 426 E HA 0.090 4.441 4.350 0.002 0.000 0.266 426 E C -0.206 176.410 176.600 0.027 0.000 1.012 426 E CA -0.286 55.999 56.400 -0.191 0.000 0.901 426 E CB 0.271 29.641 29.700 -0.550 0.000 0.967 426 E HN -0.138 nan 8.360 nan 0.000 0.435 427 S N 2.773 118.571 115.700 0.163 0.000 2.466 427 S HA 0.456 4.927 4.470 0.002 0.000 0.286 427 S C 0.098 174.926 174.600 0.381 0.000 1.221 427 S CA 0.632 59.006 58.200 0.290 0.000 1.091 427 S CB -0.297 63.012 63.200 0.182 0.000 0.956 427 S HN 0.744 nan 8.310 nan 0.000 0.501 428 G N 4.662 113.688 108.800 0.376 0.000 2.403 428 G HA2 0.115 4.076 3.960 0.002 0.000 0.223 428 G HA3 0.115 4.076 3.960 0.002 0.000 0.223 428 G C -1.503 173.451 174.900 0.090 0.000 1.287 428 G CA -0.787 44.403 45.100 0.149 0.000 0.982 428 G HN 0.542 nan 8.290 nan 0.000 0.471 429 M N 2.258 121.732 119.600 -0.211 0.000 2.066 429 M HA 0.429 4.910 4.480 0.002 0.000 0.340 429 M C -0.931 175.270 176.300 -0.165 0.000 1.053 429 M CA -0.351 54.886 55.300 -0.105 0.000 0.983 429 M CB 0.791 33.320 32.600 -0.118 0.000 1.520 429 M HN 0.530 nan 8.290 nan 0.000 0.428 430 H N 2.454 121.597 119.070 0.122 0.000 2.459 430 H HA 0.445 5.002 4.556 0.002 0.000 0.332 430 H C -0.533 174.834 175.328 0.066 0.000 1.094 430 H CA -0.467 55.647 56.048 0.110 0.000 1.224 430 H CB 2.247 32.030 29.762 0.035 0.000 1.449 430 H HN 0.533 nan 8.280 nan 0.000 0.484 431 R N 2.410 122.985 120.500 0.124 0.000 2.337 431 R HA 0.319 4.660 4.340 0.002 0.000 0.319 431 R C -1.176 175.118 176.300 -0.010 0.000 0.954 431 R CA -0.422 55.718 56.100 0.067 0.000 0.840 431 R CB 0.746 31.066 30.300 0.034 0.000 1.164 431 R HN 0.562 nan 8.270 nan 0.000 0.472 432 T N 3.712 118.217 114.554 -0.082 0.000 2.841 432 T HA 0.322 4.673 4.350 0.002 0.000 0.283 432 T C -0.858 173.651 174.700 -0.320 0.000 1.000 432 T CA -0.752 61.156 62.100 -0.320 0.000 0.977 432 T CB 1.970 70.374 68.868 -0.773 0.000 0.979 432 T HN 0.508 nan 8.240 nan 0.000 0.446 433 Q N 1.902 121.571 119.800 -0.219 0.000 2.341 433 Q HA 0.492 4.833 4.340 0.002 0.000 0.268 433 Q C -1.057 174.988 176.000 0.075 0.000 1.013 433 Q CA -0.936 54.861 55.803 -0.010 0.000 0.798 433 Q CB 2.162 30.981 28.738 0.135 0.000 1.253 433 Q HN 0.459 nan 8.270 nan 0.000 0.457 434 L N 2.565 123.768 121.223 -0.034 0.000 2.380 434 L HA 0.220 4.561 4.340 0.002 0.000 0.273 434 L C 0.060 176.763 176.870 -0.278 0.000 1.138 434 L CA 0.350 55.120 54.840 -0.117 0.000 0.832 434 L CB 1.116 43.142 42.059 -0.055 0.000 1.124 434 L HN 0.705 nan 8.230 nan 0.000 0.454 435 S N 4.377 119.636 115.700 -0.735 0.000 2.579 435 S HA 0.274 4.745 4.470 0.002 0.000 0.275 435 S C -1.729 172.505 174.600 -0.611 0.000 1.345 435 S CA -0.687 56.643 58.200 -1.450 0.000 1.031 435 S CB 0.312 62.426 63.200 -1.810 0.000 0.892 435 S HN 0.660 nan 8.310 nan 0.000 0.529 436 P HA -0.186 nan 4.420 nan 0.000 0.216 436 P C 0.806 178.025 177.300 -0.134 0.000 1.154 436 P CA 1.830 64.835 63.100 -0.158 0.000 0.865 436 P CB -0.189 31.467 31.700 -0.074 0.000 0.789 437 D N -2.356 117.927 120.400 -0.196 0.000 2.349 437 D HA 0.087 4.728 4.640 0.002 0.000 0.224 437 D C 1.348 177.585 176.300 -0.106 0.000 1.029 437 D CA 0.636 54.567 54.000 -0.116 0.000 0.879 437 D CB -1.135 39.603 40.800 -0.103 0.000 0.906 437 D HN 0.221 nan 8.370 nan 0.000 0.528 438 G N 0.232 108.924 108.800 -0.180 0.000 2.166 438 G HA2 -0.370 3.591 3.960 0.002 0.000 0.260 438 G HA3 -0.370 3.591 3.960 0.002 0.000 0.260 438 G C 1.112 175.897 174.900 -0.193 0.000 0.986 438 G CA 1.030 46.027 45.100 -0.171 0.000 0.683 438 G HN 0.727 nan 8.290 nan 0.000 0.527 439 S N -1.423 114.158 115.700 -0.199 0.000 2.486 439 S HA 0.724 5.195 4.470 0.002 0.000 0.220 439 S C 1.069 175.593 174.600 -0.127 0.000 1.011 439 S CA 1.255 59.383 58.200 -0.120 0.000 0.921 439 S CB 0.450 63.599 63.200 -0.085 0.000 0.785 439 S HN 2.006 nan 8.310 nan 0.000 0.517 440 A N 0.970 123.657 122.820 -0.222 0.000 2.569 440 A HA 0.811 5.132 4.320 0.002 0.000 0.290 440 A C -1.080 176.477 177.584 -0.045 0.000 1.136 440 A CA -1.077 50.907 52.037 -0.087 0.000 0.710 440 A CB 1.059 20.083 19.000 0.040 0.000 1.303 440 A HN 0.862 nan 8.150 nan 0.000 0.413 441 I N -1.522 119.139 120.570 0.151 0.000 2.686 441 I HA 0.675 4.846 4.170 0.002 0.000 0.295 441 I C -1.153 175.075 176.117 0.185 0.000 1.114 441 I CA -0.788 60.598 61.300 0.143 0.000 1.038 441 I CB 1.916 39.830 38.000 -0.144 0.000 1.238 441 I HN 0.482 nan 8.210 nan 0.000 0.420 442 I N 3.691 124.341 120.570 0.132 0.000 2.342 442 I HA 0.309 4.480 4.170 0.002 0.000 0.291 442 I C -0.739 175.281 176.117 -0.162 0.000 1.010 442 I CA 0.222 61.425 61.300 -0.162 0.000 1.308 442 I CB 1.235 39.036 38.000 -0.333 0.000 1.400 442 I HN 0.654 nan 8.210 nan 0.000 0.488 443 D N 6.993 127.296 120.400 -0.161 0.000 2.505 443 D HA 0.554 5.195 4.640 0.002 0.000 0.249 443 D C -0.947 175.312 176.300 -0.068 0.000 1.082 443 D CA -0.336 53.601 54.000 -0.105 0.000 0.839 443 D CB 1.440 42.197 40.800 -0.071 0.000 1.317 443 D HN 0.272 nan 8.370 nan 0.000 0.497 444 I N 3.905 124.458 120.570 -0.027 0.000 2.389 444 I HA 0.370 4.541 4.170 0.002 0.000 0.288 444 I C -1.004 175.129 176.117 0.025 0.000 0.999 444 I CA -1.018 60.265 61.300 -0.030 0.000 1.129 444 I CB 1.205 39.162 38.000 -0.071 0.000 1.288 444 I HN 0.303 nan 8.210 nan 0.000 0.444 445 F N 6.866 126.707 119.950 -0.181 0.000 2.532 445 F HA 0.627 5.154 4.527 0.002 0.000 0.321 445 F C -0.711 174.942 175.800 -0.245 0.000 1.089 445 F CA -0.239 57.578 58.000 -0.304 0.000 0.926 445 F CB 1.609 40.389 39.000 -0.366 0.000 1.168 445 F HN 0.541 nan 8.300 nan 0.000 0.459 446 Q N 3.098 122.212 119.800 -1.143 0.000 2.462 446 Q HA 0.760 5.101 4.340 0.002 0.000 0.285 446 Q C -1.792 173.549 176.000 -1.098 0.000 1.035 446 Q CA -0.990 54.276 55.803 -0.894 0.000 0.799 446 Q CB 2.286 30.800 28.738 -0.372 0.000 1.452 446 Q HN 0.774 nan 8.270 nan 0.000 0.404 447 S N -1.019 114.328 115.700 -0.588 0.000 2.643 447 S HA 0.565 5.036 4.470 0.002 0.000 0.270 447 S C -2.524 172.096 174.600 0.033 0.000 1.166 447 S CA -1.087 56.929 58.200 -0.306 0.000 0.815 447 S CB 1.384 64.438 63.200 -0.242 0.000 1.139 447 S HN 0.447 nan 8.310 nan 0.000 0.472 448 P HA -0.039 nan 4.420 nan 0.000 0.219 448 P C 1.392 178.851 177.300 0.265 0.000 1.146 448 P CA 2.118 65.267 63.100 0.082 0.000 0.808 448 P CB -0.263 31.431 31.700 -0.011 0.000 0.779 449 T N -5.384 109.301 114.554 0.218 0.000 3.037 449 T HA 0.146 4.497 4.350 0.002 0.000 0.251 449 T C 0.580 175.367 174.700 0.144 0.000 1.079 449 T CA 0.078 62.313 62.100 0.224 0.000 1.067 449 T CB -0.388 68.552 68.868 0.119 0.000 0.948 449 T HN -0.198 nan 8.240 nan 0.000 0.496 450 V N 3.519 123.463 119.914 0.049 0.000 2.326 450 V HA 0.343 4.464 4.120 0.002 0.000 0.281 450 V C -1.877 173.972 176.094 -0.409 0.000 1.015 450 V CA -1.811 60.391 62.300 -0.162 0.000 0.823 450 V CB 1.805 33.609 31.823 -0.032 0.000 1.009 450 V HN 0.056 nan 8.190 nan 0.000 0.436 451 P HA -0.025 nan 4.420 nan 0.000 0.217 451 P C 0.329 177.258 177.300 -0.619 0.000 1.151 451 P CA 0.701 63.046 63.100 -1.257 0.000 0.828 451 P CB 0.267 31.070 31.700 -1.496 0.000 0.788 452 R N -1.117 119.128 120.500 -0.424 0.000 2.868 452 R HA 0.334 4.675 4.340 0.002 0.000 0.262 452 R C -1.686 174.505 176.300 -0.182 0.000 1.163 452 R CA -0.406 55.528 56.100 -0.276 0.000 1.105 452 R CB 0.567 30.711 30.300 -0.260 0.000 1.270 452 R HN -0.247 nan 8.270 nan 0.000 0.437 453 K N 3.866 124.213 120.400 -0.088 0.000 2.545 453 K HA 0.526 4.847 4.320 0.002 0.000 0.252 453 K C -1.403 175.162 176.600 -0.058 0.000 0.948 453 K CA -0.709 55.553 56.287 -0.043 0.000 0.827 453 K CB 1.771 34.315 32.500 0.074 0.000 1.128 453 K HN 0.335 nan 8.250 nan 0.000 0.429 454 V N 3.719 123.552 119.914 -0.134 0.000 2.347 454 V HA 0.347 4.468 4.120 0.002 0.000 0.280 454 V C -0.189 175.778 176.094 -0.211 0.000 1.021 454 V CA -0.464 61.733 62.300 -0.172 0.000 0.847 454 V CB 1.481 33.173 31.823 -0.219 0.000 0.990 454 V HN 0.815 nan 8.190 nan 0.000 0.444 455 T N 4.079 118.517 114.554 -0.193 0.000 2.932 455 T HA 0.720 5.071 4.350 0.002 0.000 0.289 455 T C -0.709 173.850 174.700 -0.236 0.000 1.039 455 T CA -0.446 61.530 62.100 -0.207 0.000 1.024 455 T CB 2.061 70.838 68.868 -0.152 0.000 1.090 455 T HN 0.336 nan 8.240 nan 0.000 0.496 456 V N 2.359 122.147 119.914 -0.209 0.000 2.524 456 V HA 0.532 4.653 4.120 0.002 0.000 0.297 456 V C -0.427 175.650 176.094 -0.028 0.000 1.035 456 V CA -0.718 61.464 62.300 -0.197 0.000 0.867 456 V CB 1.948 33.484 31.823 -0.479 0.000 1.004 456 V HN 0.996 nan 8.190 nan 0.000 0.426 457 T N 3.549 118.114 114.554 0.018 0.000 2.848 457 T HA 0.361 4.712 4.350 0.002 0.000 0.285 457 T C -0.181 174.564 174.700 0.074 0.000 0.995 457 T CA -0.514 61.607 62.100 0.036 0.000 0.970 457 T CB 1.164 70.027 68.868 -0.008 0.000 0.976 457 T HN 0.618 nan 8.240 nan 0.000 0.441 458 N N 2.541 121.285 118.700 0.073 0.000 2.399 458 N HA 0.249 4.990 4.740 0.002 0.000 0.259 458 N C -0.006 175.527 175.510 0.040 0.000 1.160 458 N CA -0.240 52.846 53.050 0.060 0.000 0.946 458 N CB 0.100 38.623 38.487 0.060 0.000 1.156 458 N HN 0.551 nan 8.380 nan 0.000 0.489 459 I N 2.222 122.811 120.570 0.033 0.000 2.821 459 I HA -0.090 4.081 4.170 0.002 0.000 0.294 459 I C 1.357 177.506 176.117 0.052 0.000 1.210 459 I CA 0.586 61.915 61.300 0.048 0.000 1.430 459 I CB -0.059 37.982 38.000 0.069 0.000 1.356 459 I HN 0.733 nan 8.210 nan 0.000 0.563 460 G N 3.169 111.997 108.800 0.046 0.000 2.333 460 G HA2 -0.019 3.942 3.960 0.002 0.000 0.296 460 G HA3 -0.019 3.942 3.960 0.002 0.000 0.296 460 G C -0.146 174.771 174.900 0.029 0.000 1.059 460 G CA 0.539 45.661 45.100 0.037 0.000 1.050 460 G HN 1.123 nan 8.290 nan 0.000 0.508 461 K N -1.717 118.697 120.400 0.024 0.000 2.826 461 K HA 0.948 5.269 4.320 0.002 0.000 0.292 461 K C 0.786 177.398 176.600 0.021 0.000 0.946 461 K CA 0.421 56.722 56.287 0.023 0.000 0.717 461 K CB -0.474 32.044 32.500 0.030 0.000 1.366 461 K HN 1.887 nan 8.250 nan 0.000 0.357 462 G N 0.516 109.332 108.800 0.026 0.000 2.483 462 G HA2 0.465 4.426 3.960 0.002 0.000 0.248 462 G HA3 0.465 4.426 3.960 0.002 0.000 0.248 462 G C 0.316 175.238 174.900 0.036 0.000 1.248 462 G CA 0.848 45.964 45.100 0.028 0.000 0.838 462 G HN 1.402 nan 8.290 nan 0.000 0.566 463 S N -0.120 115.597 115.700 0.027 0.000 2.593 463 S HA 0.525 4.996 4.470 0.002 0.000 0.297 463 S C -0.700 173.943 174.600 0.073 0.000 1.112 463 S CA -0.841 57.374 58.200 0.025 0.000 1.043 463 S CB 1.287 64.471 63.200 -0.026 0.000 1.054 463 S HN 0.793 nan 8.310 nan 0.000 0.516 464 H N 2.337 121.376 119.070 -0.052 0.000 2.840 464 H HA 0.330 4.887 4.556 0.002 0.000 0.340 464 H C -1.183 174.090 175.328 -0.091 0.000 1.004 464 H CA -0.396 55.621 56.048 -0.051 0.000 1.288 464 H CB 1.300 31.053 29.762 -0.016 0.000 1.607 464 H HN 0.653 nan 8.280 nan 0.000 0.522 465 T N 6.004 120.230 114.554 -0.548 0.000 2.814 465 T HA 0.050 4.401 4.350 0.002 0.000 0.297 465 T C 1.297 175.580 174.700 -0.695 0.000 0.956 465 T CA -0.366 61.443 62.100 -0.485 0.000 1.123 465 T CB 1.144 69.839 68.868 -0.289 0.000 0.902 465 T HN 0.501 nan 8.240 nan 0.000 0.528 466 L N 3.906 124.854 121.223 -0.458 0.000 2.425 466 L HA 0.603 4.944 4.340 0.002 0.000 0.215 466 L C -0.054 176.658 176.870 -0.263 0.000 1.065 466 L CA 0.899 55.536 54.840 -0.338 0.000 0.842 466 L CB 0.260 42.141 42.059 -0.296 0.000 1.033 466 L HN 0.611 nan 8.230 nan 0.000 0.474 467 L N -0.643 120.430 121.223 -0.250 0.000 2.506 467 L HA 0.486 4.827 4.340 0.002 0.000 0.257 467 L C -1.639 175.122 176.870 -0.182 0.000 0.964 467 L CA -0.375 54.340 54.840 -0.209 0.000 0.836 467 L CB 1.890 43.813 42.059 -0.226 0.000 1.384 467 L HN 0.030 nan 8.230 nan 0.000 0.410 468 E N 3.221 123.326 120.200 -0.160 0.000 2.287 468 E HA 0.717 5.068 4.350 0.002 0.000 0.274 468 E C -1.532 174.974 176.600 -0.157 0.000 0.896 468 E CA -0.548 55.764 56.400 -0.148 0.000 0.788 468 E CB 1.963 31.588 29.700 -0.125 0.000 1.244 468 E HN 0.821 nan 8.360 nan 0.000 0.408 469 A N 2.744 125.447 122.820 -0.195 0.000 2.264 469 A HA 0.882 5.203 4.320 0.002 0.000 0.304 469 A C -0.225 177.212 177.584 -0.246 0.000 1.100 469 A CA 0.123 52.023 52.037 -0.228 0.000 0.839 469 A CB 1.142 19.964 19.000 -0.297 0.000 1.121 469 A HN 0.689 nan 8.150 nan 0.000 0.496 478 M N 1.584 121.178 119.600 -0.011 0.000 2.662 478 M HA 0.541 5.022 4.480 0.002 0.000 0.310 478 M C -2.589 173.652 176.300 -0.097 0.000 1.204 478 M CA -2.184 53.079 55.300 -0.062 0.000 0.891 478 M CB 0.941 33.504 32.600 -0.062 0.000 1.732 478 M HN 0.467 nan 8.290 nan 0.000 0.467 479 P HA 0.111 nan 4.420 nan 0.000 0.268 479 P C -0.525 176.682 177.300 -0.155 0.000 1.204 479 P CA -0.112 62.895 63.100 -0.156 0.000 0.768 479 P CB 0.427 32.025 31.700 -0.169 0.000 0.842 480 E N 2.728 122.833 120.200 -0.158 0.000 2.360 480 E HA 0.164 4.515 4.350 0.002 0.000 0.269 480 E C -0.782 175.718 176.600 -0.167 0.000 1.022 480 E CA -0.328 55.980 56.400 -0.153 0.000 0.887 480 E CB 0.340 29.952 29.700 -0.147 0.000 0.990 480 E HN 0.335 nan 8.360 nan 0.000 0.426 481 I N 5.000 125.483 120.570 -0.145 0.000 2.330 481 I HA 0.323 4.494 4.170 0.002 0.000 0.289 481 I C 0.234 176.313 176.117 -0.064 0.000 1.001 481 I CA -0.453 60.778 61.300 -0.115 0.000 1.193 481 I CB 1.325 39.233 38.000 -0.153 0.000 1.345 481 I HN 0.365 nan 8.210 nan 0.000 0.461 482 R N 3.735 124.237 120.500 0.004 0.000 2.604 482 R HA 0.736 5.077 4.340 0.002 0.000 0.287 482 R C -0.528 175.828 176.300 0.093 0.000 0.970 482 R CA -0.670 55.473 56.100 0.072 0.000 0.946 482 R CB 2.129 32.528 30.300 0.166 0.000 1.127 482 R HN 0.668 nan 8.270 nan 0.000 0.473 483 T N -1.456 113.086 114.554 -0.021 0.000 2.906 483 T HA 0.849 5.200 4.350 0.002 0.000 0.295 483 T C 0.006 174.398 174.700 -0.513 0.000 1.061 483 T CA -0.742 61.194 62.100 -0.272 0.000 1.000 483 T CB 2.453 71.206 68.868 -0.191 0.000 1.103 483 T HN 0.751 nan 8.240 nan 0.000 0.486 484 G N 0.393 108.492 108.800 -1.168 0.000 2.428 484 G HA2 0.603 4.564 3.960 0.002 0.000 0.305 484 G HA3 0.603 4.564 3.960 0.002 0.000 0.305 484 G C -1.468 173.053 174.900 -0.632 0.000 1.260 484 G CA -0.701 43.941 45.100 -0.763 0.000 0.853 484 G HN 0.907 nan 8.290 nan 0.000 0.480 485 T N 0.581 115.031 114.554 -0.173 0.000 2.893 485 T HA 0.675 5.026 4.350 0.002 0.000 0.293 485 T C -0.163 174.552 174.700 0.026 0.000 1.027 485 T CA -0.239 61.809 62.100 -0.088 0.000 0.988 485 T CB 1.485 70.306 68.868 -0.079 0.000 1.043 485 T HN 0.979 nan 8.240 nan 0.000 0.461 486 I N -1.341 119.228 120.570 -0.001 0.000 3.002 486 I HA 0.700 4.871 4.170 0.002 0.000 0.310 486 I C -0.674 175.431 176.117 -0.019 0.000 1.087 486 I CA -1.559 59.745 61.300 0.006 0.000 1.017 486 I CB 1.695 39.701 38.000 0.010 0.000 1.226 486 I HN 0.300 nan 8.210 nan 0.000 0.443 487 M N 3.015 122.621 119.600 0.010 0.000 2.211 487 M HA 0.424 4.905 4.480 0.002 0.000 0.356 487 M C 0.511 176.820 176.300 0.016 0.000 1.216 487 M CA -0.073 55.233 55.300 0.009 0.000 1.134 487 M CB 1.024 33.637 32.600 0.022 0.000 1.564 487 M HN 0.920 nan 8.290 nan 0.000 0.463 488 A N 2.948 125.775 122.820 0.011 0.000 2.364 488 A HA 0.443 4.764 4.320 0.002 0.000 0.258 488 A C 1.269 178.854 177.584 0.002 0.000 1.131 488 A CA 0.494 52.532 52.037 0.003 0.000 0.800 488 A CB -0.185 18.802 19.000 -0.021 0.000 1.086 488 A HN 0.973 nan 8.150 nan 0.000 0.508 489 A N -0.421 122.395 122.820 -0.007 0.000 2.121 489 A HA -0.066 4.255 4.320 0.002 0.000 0.218 489 A C 1.370 178.954 177.584 -0.000 0.000 1.154 489 A CA 1.810 53.846 52.037 -0.001 0.000 0.679 489 A CB -0.740 18.258 19.000 -0.002 0.000 0.795 489 A HN 0.872 nan 8.150 nan 0.000 0.458 490 D N -1.675 118.721 120.400 -0.006 0.000 2.347 490 D HA 0.165 4.806 4.640 0.002 0.000 0.215 490 D C 1.294 177.601 176.300 0.013 0.000 0.976 490 D CA 0.982 54.983 54.000 0.002 0.000 0.884 490 D CB -0.794 40.005 40.800 -0.002 0.000 0.915 490 D HN 0.756 nan 8.370 nan 0.000 0.526 491 G N -0.222 108.587 108.800 0.015 0.000 2.162 491 G HA2 -0.317 3.644 3.960 0.002 0.000 0.260 491 G HA3 -0.317 3.644 3.960 0.002 0.000 0.260 491 G C 0.979 175.896 174.900 0.027 0.000 0.976 491 G CA 0.651 45.764 45.100 0.021 0.000 0.655 491 G HN 0.396 nan 8.290 nan 0.000 0.533 492 Q N -0.991 118.827 119.800 0.030 0.000 2.459 492 Q HA 0.122 4.463 4.340 0.002 0.000 0.260 492 Q C 0.761 176.794 176.000 0.055 0.000 0.828 492 Q CA 1.006 56.834 55.803 0.042 0.000 0.987 492 Q CB 0.303 29.068 28.738 0.045 0.000 1.216 492 Q HN 0.443 nan 8.270 nan 0.000 0.558 493 T N 4.946 119.535 114.554 0.059 0.000 2.780 493 T HA 0.340 4.691 4.350 0.002 0.000 0.294 493 T C -2.563 172.175 174.700 0.063 0.000 0.949 493 T CA -1.134 61.025 62.100 0.099 0.000 1.074 493 T CB 1.275 70.222 68.868 0.131 0.000 0.910 493 T HN -0.066 nan 8.240 nan 0.000 0.501 494 P HA 0.334 nan 4.420 nan 0.000 0.276 494 P C -0.754 176.387 177.300 -0.265 0.000 1.235 494 P CA -0.361 62.656 63.100 -0.139 0.000 0.772 494 P CB 0.509 32.108 31.700 -0.169 0.000 0.871 495 L N 3.787 124.818 121.223 -0.320 0.000 2.334 495 L HA 0.491 4.832 4.340 0.002 0.000 0.276 495 L C -0.307 176.252 176.870 -0.518 0.000 1.014 495 L CA -0.971 53.709 54.840 -0.267 0.000 0.815 495 L CB 1.091 43.149 42.059 -0.002 0.000 1.268 495 L HN 0.347 nan 8.230 nan 0.000 0.428 496 Y N 1.543 121.883 120.300 0.067 0.000 2.360 496 Y HA 0.485 5.036 4.550 0.002 0.000 0.337 496 Y C -0.260 175.623 175.900 -0.029 0.000 1.039 496 Y CA -0.713 57.363 58.100 -0.039 0.000 1.109 496 Y CB 1.441 39.861 38.460 -0.068 0.000 1.201 496 Y HN 0.423 nan 8.280 nan 0.000 0.458 497 Y N 0.339 120.645 120.300 0.008 0.000 2.570 497 Y HA 0.795 5.346 4.550 0.002 0.000 0.345 497 Y C -1.398 174.426 175.900 -0.127 0.000 1.014 497 Y CA -2.155 55.834 58.100 -0.186 0.000 1.063 497 Y CB 1.526 39.788 38.460 -0.331 0.000 1.272 497 Y HN 0.541 nan 8.280 nan 0.000 0.477 498 K N 2.328 122.757 120.400 0.049 0.000 2.422 498 K HA 0.754 5.075 4.320 0.002 0.000 0.251 498 K C -2.332 174.369 176.600 0.169 0.000 0.933 498 K CA -1.027 55.309 56.287 0.081 0.000 0.798 498 K CB 2.600 35.093 32.500 -0.012 0.000 1.238 498 K HN 0.731 nan 8.250 nan 0.000 0.428 499 L N 1.453 122.826 121.223 0.250 0.000 2.446 499 L HA 0.359 4.700 4.340 0.002 0.000 0.268 499 L C -1.408 175.530 176.870 0.113 0.000 0.975 499 L CA 0.090 55.114 54.840 0.307 0.000 0.848 499 L CB 2.182 44.557 42.059 0.527 0.000 1.225 499 L HN 0.809 nan 8.230 nan 0.000 0.410 500 T N 6.170 120.754 114.554 0.051 0.000 2.728 500 T HA 0.467 4.818 4.350 0.002 0.000 0.296 500 T C 0.366 174.989 174.700 -0.127 0.000 0.940 500 T CA -0.435 61.627 62.100 -0.063 0.000 1.013 500 T CB 0.393 69.210 68.868 -0.084 0.000 0.912 500 T HN 0.412 nan 8.240 nan 0.000 0.484 501 M N 4.018 123.471 119.600 -0.245 0.000 2.255 501 M HA 0.330 4.811 4.480 0.002 0.000 0.336 501 M C -2.256 173.825 176.300 -0.364 0.000 1.135 501 M CA -3.282 51.746 55.300 -0.454 0.000 1.145 501 M CB -0.245 31.951 32.600 -0.673 0.000 1.473 501 M HN 0.179 nan 8.290 nan 0.000 0.462 502 P HA 0.015 nan 4.420 nan 0.000 0.265 502 P C -0.349 176.818 177.300 -0.222 0.000 1.187 502 P CA -0.419 62.496 63.100 -0.307 0.000 0.766 502 P CB 0.214 31.611 31.700 -0.505 0.000 0.820 503 L N 5.389 126.490 121.223 -0.204 0.000 2.540 503 L HA -0.015 4.326 4.340 0.002 0.000 0.276 503 L C 0.539 177.271 176.870 -0.230 0.000 1.212 503 L CA 0.533 55.194 54.840 -0.298 0.000 0.893 503 L CB -1.387 40.426 42.059 -0.410 0.000 1.138 503 L HN 0.592 nan 8.230 nan 0.000 0.491 504 H N 1.999 121.060 119.070 -0.014 0.000 2.791 504 H HA -0.281 4.276 4.556 0.002 0.000 0.302 504 H C -0.051 175.282 175.328 0.007 0.000 1.198 504 H CA 0.559 56.607 56.048 0.000 0.000 1.145 504 H CB -2.071 27.694 29.762 0.004 0.000 1.385 504 H HN 0.538 nan 8.280 nan 0.000 0.409 505 F N 2.430 122.311 119.950 -0.115 0.000 2.623 505 F HA 0.041 4.569 4.527 0.002 0.000 0.386 505 F C 0.530 176.285 175.800 -0.075 0.000 1.068 505 F CA 0.133 57.977 58.000 -0.260 0.000 1.265 505 F CB 0.494 39.211 39.000 -0.471 0.000 1.026 505 F HN 0.241 nan 8.300 nan 0.000 0.568 506 D N 8.342 128.304 120.400 -0.730 0.000 2.440 506 D HA 0.328 4.969 4.640 0.002 0.000 0.239 506 D C -2.068 173.707 176.300 -0.875 0.000 1.084 506 D CA -2.362 51.276 54.000 -0.603 0.000 0.843 506 D CB 2.006 42.693 40.800 -0.188 0.000 1.097 506 D HN 0.204 nan 8.370 nan 0.000 0.531 507 P HA -0.049 nan 4.420 nan 0.000 0.221 507 P C 0.821 178.072 177.300 -0.082 0.000 1.145 507 P CA 0.728 63.604 63.100 -0.374 0.000 0.795 507 P CB 0.287 31.931 31.700 -0.094 0.000 0.775 508 A N -1.273 121.479 122.820 -0.114 0.000 2.167 508 A HA -0.028 4.293 4.320 0.002 0.000 0.214 508 A C 1.086 178.639 177.584 -0.051 0.000 1.151 508 A CA 0.822 52.827 52.037 -0.052 0.000 0.735 508 A CB -0.551 18.411 19.000 -0.063 0.000 0.802 508 A HN 0.176 nan 8.150 nan 0.000 0.467 509 K N 0.226 120.581 120.400 -0.075 0.000 2.139 509 K HA 0.444 4.765 4.320 0.002 0.000 0.243 509 K C -0.599 175.939 176.600 -0.103 0.000 0.983 509 K CA -0.758 55.423 56.287 -0.176 0.000 0.890 509 K CB 0.949 33.223 32.500 -0.376 0.000 1.090 509 K HN -0.063 nan 8.250 nan 0.000 0.445 510 K N 1.826 122.080 120.400 -0.244 0.000 2.182 510 K HA 0.360 4.681 4.320 0.002 0.000 0.262 510 K C -1.084 175.346 176.600 -0.282 0.000 0.957 510 K CA -0.484 55.751 56.287 -0.088 0.000 0.842 510 K CB 1.126 33.576 32.500 -0.083 0.000 1.099 510 K HN 0.467 nan 8.250 nan 0.000 0.438 511 Y N 1.712 122.104 120.300 0.153 0.000 2.512 511 Y HA 0.318 4.869 4.550 0.002 0.000 0.348 511 Y C -1.976 173.938 175.900 0.023 0.000 0.990 511 Y CA -2.155 56.005 58.100 0.100 0.000 1.033 511 Y CB 1.920 40.535 38.460 0.258 0.000 1.259 511 Y HN 0.459 nan 8.280 nan 0.000 0.461 512 P HA 0.262 nan 4.420 nan 0.000 0.276 512 P C -1.136 176.241 177.300 0.129 0.000 1.252 512 P CA -0.233 62.873 63.100 0.010 0.000 0.802 512 P CB 2.253 33.842 31.700 -0.186 0.000 1.035 513 V N 2.262 122.276 119.914 0.166 0.000 2.888 513 V HA 0.533 4.654 4.120 0.002 0.000 0.309 513 V C -1.101 175.113 176.094 0.200 0.000 1.114 513 V CA -0.985 61.428 62.300 0.188 0.000 0.940 513 V CB 1.900 33.793 31.823 0.118 0.000 1.021 513 V HN 0.323 nan 8.190 nan 0.000 0.426 514 I N 5.794 126.479 120.570 0.192 0.000 2.436 514 I HA 0.450 4.621 4.170 0.002 0.000 0.289 514 I C -0.429 175.878 176.117 0.316 0.000 1.010 514 I CA -0.981 60.428 61.300 0.182 0.000 1.098 514 I CB 2.118 40.085 38.000 -0.055 0.000 1.266 514 I HN 0.336 nan 8.210 nan 0.000 0.434 515 V N 6.677 126.819 119.914 0.380 0.000 2.427 515 V HA 0.018 4.139 4.120 0.002 0.000 0.268 515 V C -0.460 175.852 176.094 0.364 0.000 1.046 515 V CA -0.268 62.289 62.300 0.428 0.000 0.970 515 V CB 0.268 32.360 31.823 0.449 0.000 1.001 515 V HN 0.467 nan 8.190 nan 0.000 0.476 516 Y N 5.710 126.181 120.300 0.284 0.000 2.383 516 Y HA 0.564 5.115 4.550 0.002 0.000 0.344 516 Y C -0.160 175.827 175.900 0.146 0.000 0.986 516 Y CA -0.184 58.056 58.100 0.232 0.000 1.175 516 Y CB 1.444 40.086 38.460 0.304 0.000 1.152 516 Y HN 0.452 nan 8.280 nan 0.000 0.511 517 V N 8.497 128.121 119.914 -0.484 0.000 2.680 517 V HA 0.327 4.447 4.120 0.002 0.000 0.309 517 V C -1.229 174.671 176.094 -0.323 0.000 1.052 517 V CA -0.307 61.839 62.300 -0.257 0.000 0.908 517 V CB 1.587 33.316 31.823 -0.157 0.000 1.001 517 V HN 0.915 nan 8.190 nan 0.000 0.431 518 Y N 4.690 124.886 120.300 -0.174 0.000 2.972 518 Y HA 0.564 5.115 4.550 0.002 0.000 0.211 518 Y C 1.697 177.626 175.900 0.050 0.000 0.969 518 Y CA 1.309 59.377 58.100 -0.055 0.000 1.574 518 Y CB 0.369 38.840 38.460 0.018 0.000 1.364 518 Y HN 0.921 nan 8.280 nan 0.000 0.467 519 G N 0.322 109.112 108.800 -0.016 0.000 2.176 519 G HA2 -0.180 3.781 3.960 0.002 0.000 0.253 519 G HA3 -0.180 3.781 3.960 0.002 0.000 0.253 519 G C 0.536 175.165 174.900 -0.451 0.000 0.979 519 G CA 0.288 45.320 45.100 -0.114 0.000 0.641 519 G HN 0.934 nan 8.290 nan 0.000 0.530 520 G N 0.136 108.400 108.800 -0.893 0.000 2.488 520 G HA2 0.740 4.701 3.960 0.002 0.000 0.318 520 G HA3 0.740 4.701 3.960 0.002 0.000 0.318 520 G C -1.940 172.644 174.900 -0.527 0.000 1.188 520 G CA -0.833 43.370 45.100 -1.494 0.000 0.944 520 G HN 0.203 nan 8.290 nan 0.000 0.495 521 P HA 0.059 nan 4.420 nan 0.000 0.270 521 P C -0.075 177.222 177.300 -0.005 0.000 1.223 521 P CA 0.259 63.136 63.100 -0.372 0.000 0.785 521 P CB 0.417 31.623 31.700 -0.823 0.000 0.923 522 H N -2.832 116.264 119.070 0.044 0.000 3.415 522 H HA -0.173 4.384 4.556 0.002 0.000 0.213 522 H C 0.159 175.548 175.328 0.103 0.000 1.091 522 H CA 1.341 57.452 56.048 0.105 0.000 1.182 522 H CB -1.849 27.998 29.762 0.142 0.000 1.160 522 H HN 0.705 nan 8.280 nan 0.000 0.319 523 A N 0.490 123.430 122.820 0.201 0.000 2.413 523 A HA 0.673 4.994 4.320 0.002 0.000 0.307 523 A C -0.299 177.366 177.584 0.135 0.000 1.087 523 A CA -0.422 51.692 52.037 0.128 0.000 0.750 523 A CB 2.574 21.577 19.000 0.004 0.000 1.296 523 A HN 0.189 nan 8.150 nan 0.000 0.423 524 Q N 1.844 121.704 119.800 0.099 0.000 2.295 524 Q HA 0.455 4.796 4.340 0.002 0.000 0.259 524 Q C -1.286 174.763 176.000 0.083 0.000 0.966 524 Q CA -0.573 55.292 55.803 0.105 0.000 0.763 524 Q CB 1.140 29.930 28.738 0.088 0.000 1.283 524 Q HN 0.592 nan 8.270 nan 0.000 0.445 525 L N 3.175 124.459 121.223 0.102 0.000 2.529 525 L HA 0.213 4.554 4.340 0.002 0.000 0.223 525 L C 0.019 176.925 176.870 0.059 0.000 1.113 525 L CA 0.670 55.563 54.840 0.089 0.000 0.861 525 L CB 1.123 43.273 42.059 0.151 0.000 1.012 525 L HN 0.423 nan 8.230 nan 0.000 0.461 526 V N 0.105 120.054 119.914 0.058 0.000 2.304 526 V HA 0.519 4.640 4.120 0.002 0.000 0.278 526 V C 0.062 176.158 176.094 0.004 0.000 1.018 526 V CA -0.362 61.955 62.300 0.028 0.000 0.814 526 V CB 0.861 32.714 31.823 0.050 0.000 1.021 526 V HN 0.358 nan 8.190 nan 0.000 0.440 527 T N 0.764 115.306 114.554 -0.020 0.000 2.887 527 T HA 0.519 4.870 4.350 0.002 0.000 0.292 527 T C -0.401 174.265 174.700 -0.056 0.000 1.087 527 T CA -0.991 61.088 62.100 -0.035 0.000 1.009 527 T CB 2.106 70.968 68.868 -0.010 0.000 1.203 527 T HN 0.425 nan 8.240 nan 0.000 0.518 528 K N 1.260 121.626 120.400 -0.057 0.000 2.142 528 K HA 0.374 4.695 4.320 0.002 0.000 0.250 528 K C -0.398 176.156 176.600 -0.077 0.000 1.148 528 K CA -0.169 56.081 56.287 -0.062 0.000 1.040 528 K CB -0.394 32.081 32.500 -0.041 0.000 1.569 528 K HN 0.694 nan 8.250 nan 0.000 0.361 529 T N 1.713 116.220 114.554 -0.077 0.000 2.888 529 T HA 0.222 4.573 4.350 0.002 0.000 0.288 529 T C -1.082 173.603 174.700 -0.025 0.000 1.063 529 T CA -0.868 61.186 62.100 -0.075 0.000 1.010 529 T CB 0.429 69.264 68.868 -0.055 0.000 1.214 529 T HN 0.601 nan 8.240 nan 0.000 0.533 536 G N -0.675 108.181 108.800 0.093 0.000 2.143 536 G HA2 -0.357 3.604 3.960 0.002 0.000 0.248 536 G HA3 -0.357 3.604 3.960 0.002 0.000 0.248 536 G C 1.026 176.007 174.900 0.135 0.000 0.991 536 G CA 0.926 46.077 45.100 0.086 0.000 0.689 536 G HN 1.071 nan 8.290 nan 0.000 0.522 537 W N 1.816 123.047 121.300 -0.114 0.000 2.388 537 W HA -0.038 4.623 4.660 0.002 0.000 0.294 537 W C 2.135 178.566 176.519 -0.147 0.000 1.212 537 W CA 2.114 59.273 57.345 -0.311 0.000 1.271 537 W CB 0.038 29.090 29.460 -0.680 0.000 1.126 537 W HN 0.415 nan 8.180 nan 0.000 0.535 538 D N 0.592 120.876 120.400 -0.193 0.000 2.123 538 D HA -0.288 4.353 4.640 0.002 0.000 0.196 538 D C 2.000 178.115 176.300 -0.310 0.000 0.992 538 D CA 2.182 55.989 54.000 -0.322 0.000 0.833 538 D CB -1.165 39.558 40.800 -0.128 0.000 0.954 538 D HN 0.353 nan 8.370 nan 0.000 0.455 539 I N -0.315 120.147 120.570 -0.180 0.000 2.252 539 I HA -0.237 3.934 4.170 0.002 0.000 0.245 539 I C 2.689 178.748 176.117 -0.097 0.000 1.102 539 I CA 1.007 62.230 61.300 -0.128 0.000 1.385 539 I CB -0.480 37.475 38.000 -0.076 0.000 1.064 539 I HN -0.024 nan 8.210 nan 0.000 0.414 540 Y N 0.588 120.736 120.300 -0.254 0.000 2.128 540 Y HA -0.346 4.205 4.550 0.002 0.000 0.284 540 Y C 2.721 178.419 175.900 -0.338 0.000 1.154 540 Y CA 1.257 59.212 58.100 -0.242 0.000 1.149 540 Y CB 0.090 38.443 38.460 -0.178 0.000 0.976 540 Y HN 0.037 nan 8.280 nan 0.000 0.505 541 M N 0.105 119.307 119.600 -0.664 0.000 2.108 541 M HA -0.212 4.269 4.480 0.002 0.000 0.261 541 M C 2.509 178.607 176.300 -0.338 0.000 1.066 541 M CA 1.666 56.551 55.300 -0.692 0.000 1.107 541 M CB -1.732 30.268 32.600 -1.000 0.000 1.356 541 M HN 0.464 nan 8.290 nan 0.000 0.406 542 A N -0.462 122.189 122.820 -0.283 0.000 1.933 542 A HA -0.205 4.116 4.320 0.002 0.000 0.218 542 A C 2.064 179.559 177.584 -0.149 0.000 1.175 542 A CA 1.510 53.440 52.037 -0.178 0.000 0.628 542 A CB -0.712 18.177 19.000 -0.185 0.000 0.814 542 A HN 0.641 nan 8.150 nan 0.000 0.444 543 Q N -0.562 119.146 119.800 -0.153 0.000 2.291 543 Q HA -0.063 4.277 4.340 0.002 0.000 0.205 543 Q C 1.106 177.046 176.000 -0.100 0.000 0.970 543 Q CA 1.064 56.795 55.803 -0.120 0.000 0.876 543 Q CB -0.059 28.653 28.738 -0.043 0.000 0.935 543 Q HN 0.596 nan 8.270 nan 0.000 0.455 544 K N -0.664 119.663 120.400 -0.123 0.000 2.387 544 K HA 0.133 4.454 4.320 0.002 0.000 0.198 544 K C 0.527 177.211 176.600 0.140 0.000 1.022 544 K CA 0.482 56.752 56.287 -0.030 0.000 1.128 544 K CB 0.908 33.318 32.500 -0.149 0.000 0.853 544 K HN 0.272 nan 8.250 nan 0.000 0.523 545 G N 1.212 110.058 108.800 0.076 0.000 2.130 545 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 545 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 545 G C -0.680 174.223 174.900 0.005 0.000 0.999 545 G CA -0.329 44.813 45.100 0.069 0.000 0.686 545 G HN 0.247 nan 8.290 nan 0.000 0.515 546 Y N 0.546 120.818 120.300 -0.047 0.000 2.350 546 Y HA 0.679 5.230 4.550 0.002 0.000 0.338 546 Y C 0.644 176.494 175.900 -0.083 0.000 0.961 546 Y CA -0.409 57.669 58.100 -0.035 0.000 1.100 546 Y CB 1.866 40.249 38.460 -0.128 0.000 1.179 546 Y HN 0.491 nan 8.280 nan 0.000 0.454 547 A N 2.832 125.715 122.820 0.104 0.000 2.407 547 A HA 0.612 4.933 4.320 0.002 0.000 0.248 547 A C -0.760 176.896 177.584 0.120 0.000 1.082 547 A CA -0.340 51.747 52.037 0.083 0.000 0.785 547 A CB 0.234 19.382 19.000 0.247 0.000 1.020 547 A HN 0.532 nan 8.150 nan 0.000 0.489 548 V N 2.335 122.309 119.914 0.100 0.000 2.531 548 V HA 0.480 4.601 4.120 0.002 0.000 0.301 548 V C -0.914 175.353 176.094 0.287 0.000 1.034 548 V CA -0.265 62.131 62.300 0.160 0.000 0.865 548 V CB 1.209 33.054 31.823 0.036 0.000 0.995 548 V HN 0.782 nan 8.190 nan 0.000 0.424 549 F N 3.412 123.479 119.950 0.195 0.000 2.482 549 F HA 0.786 5.314 4.527 0.002 0.000 0.331 549 F C 0.029 175.977 175.800 0.247 0.000 1.115 549 F CA 0.085 58.209 58.000 0.208 0.000 0.955 549 F CB 2.080 41.188 39.000 0.179 0.000 1.136 549 F HN 0.470 nan 8.300 nan 0.000 0.452 550 T N 5.714 120.034 114.554 -0.390 0.000 2.886 550 T HA 0.596 4.947 4.350 0.002 0.000 0.292 550 T C -1.596 172.807 174.700 -0.495 0.000 1.012 550 T CA -0.649 61.310 62.100 -0.235 0.000 0.982 550 T CB 1.768 70.677 68.868 0.068 0.000 1.018 550 T HN 0.540 nan 8.240 nan 0.000 0.451 551 V N 2.334 122.108 119.914 -0.234 0.000 2.709 551 V HA 0.418 4.539 4.120 0.002 0.000 0.308 551 V C -1.295 174.839 176.094 0.067 0.000 1.062 551 V CA -0.870 61.384 62.300 -0.077 0.000 0.901 551 V CB 2.064 33.905 31.823 0.031 0.000 1.003 551 V HN 0.860 nan 8.190 nan 0.000 0.425 552 D N 4.921 125.393 120.400 0.120 0.000 2.435 552 D HA 0.259 4.900 4.640 0.002 0.000 0.230 552 D C 0.517 176.953 176.300 0.227 0.000 1.215 552 D CA 0.282 54.392 54.000 0.184 0.000 0.947 552 D CB 0.947 41.877 40.800 0.217 0.000 1.048 552 D HN 0.731 nan 8.370 nan 0.000 0.512 553 S N 2.135 117.915 115.700 0.134 0.000 2.608 553 S HA 0.308 4.779 4.470 0.002 0.000 0.261 553 S C 0.734 175.278 174.600 -0.092 0.000 1.314 553 S CA -0.831 57.393 58.200 0.040 0.000 0.992 553 S CB 1.538 64.737 63.200 -0.001 0.000 0.935 553 S HN 0.304 nan 8.310 nan 0.000 0.564 554 R N 0.018 120.272 120.500 -0.410 0.000 2.679 554 R HA 0.408 4.749 4.340 0.002 0.000 0.268 554 R C 1.530 177.551 176.300 -0.464 0.000 1.044 554 R CA 1.050 56.575 56.100 -0.957 0.000 1.105 554 R CB -0.121 29.663 30.300 -0.860 0.000 0.989 554 R HN 1.081 nan 8.270 nan 0.000 0.447 555 G N 0.570 109.128 108.800 -0.403 0.000 2.313 555 G HA2 -0.321 3.640 3.960 0.002 0.000 0.215 555 G HA3 -0.321 3.640 3.960 0.002 0.000 0.215 555 G C 0.192 175.045 174.900 -0.079 0.000 1.023 555 G CA 0.102 45.074 45.100 -0.214 0.000 0.626 555 G HN 0.730 nan 8.290 nan 0.000 0.503 556 S N 0.771 116.536 115.700 0.107 0.000 2.634 556 S HA 0.811 5.282 4.470 0.002 0.000 0.261 556 S C 0.630 175.381 174.600 0.252 0.000 1.271 556 S CA 0.663 58.980 58.200 0.196 0.000 0.985 556 S CB 1.674 65.027 63.200 0.255 0.000 0.968 556 S HN 1.959 nan 8.310 nan 0.000 0.568 557 A N 0.294 123.200 122.820 0.143 0.000 2.256 557 A HA 0.656 4.976 4.320 0.002 0.000 0.318 557 A C 0.489 178.094 177.584 0.034 0.000 1.103 557 A CA -0.726 51.360 52.037 0.082 0.000 0.860 557 A CB -0.319 18.741 19.000 0.100 0.000 1.182 557 A HN 1.059 nan 8.150 nan 0.000 0.501 558 N N -0.721 118.001 118.700 0.037 0.000 2.776 558 N HA -0.124 4.617 4.740 0.002 0.000 0.250 558 N C -0.012 175.501 175.510 0.006 0.000 1.112 558 N CA 0.966 54.048 53.050 0.054 0.000 0.733 558 N CB -0.521 38.016 38.487 0.084 0.000 1.097 558 N HN 0.648 nan 8.380 nan 0.000 0.558 559 R N 0.115 120.544 120.500 -0.118 0.000 2.572 559 R HA 0.354 4.695 4.340 0.002 0.000 0.370 559 R C 1.095 177.232 176.300 -0.272 0.000 1.005 559 R CA 0.570 56.519 56.100 -0.253 0.000 1.146 559 R CB 0.505 30.160 30.300 -1.075 0.000 1.390 559 R HN 0.394 nan 8.270 nan 0.000 0.553 560 G N 0.091 108.668 108.800 -0.372 0.000 2.730 560 G HA2 -0.219 3.742 3.960 0.002 0.000 0.686 560 G HA3 -0.219 3.742 3.960 0.002 0.000 0.686 560 G C 0.635 175.223 174.900 -0.521 0.000 1.343 560 G CA -0.315 44.212 45.100 -0.955 0.000 0.826 560 G HN 0.161 nan 8.290 nan 0.000 0.582 561 A N 0.324 122.806 122.820 -0.563 0.000 1.930 561 A HA 0.358 4.679 4.320 0.002 0.000 0.217 561 A C 2.955 180.394 177.584 -0.242 0.000 1.175 561 A CA 3.195 55.042 52.037 -0.315 0.000 0.627 561 A CB -0.867 17.958 19.000 -0.292 0.000 0.815 561 A HN 2.510 nan 8.150 nan 0.000 0.443 562 A N -1.102 121.563 122.820 -0.258 0.000 1.902 562 A HA -0.101 4.220 4.320 0.002 0.000 0.217 562 A C 2.067 179.616 177.584 -0.058 0.000 1.181 562 A CA 1.602 53.563 52.037 -0.128 0.000 0.623 562 A CB -0.746 18.213 19.000 -0.068 0.000 0.818 562 A HN 0.714 nan 8.150 nan 0.000 0.443 563 F N 0.533 120.375 119.950 -0.181 0.000 2.171 563 F HA -0.131 4.397 4.527 0.002 0.000 0.300 563 F C 2.207 177.938 175.800 -0.114 0.000 1.090 563 F CA 2.071 60.004 58.000 -0.112 0.000 1.293 563 F CB 0.014 38.962 39.000 -0.087 0.000 1.013 563 F HN 0.447 nan 8.300 nan 0.000 0.486 564 E N -0.263 119.980 120.200 0.072 0.000 2.060 564 E HA -0.184 4.167 4.350 0.002 0.000 0.189 564 E C 1.949 178.493 176.600 -0.093 0.000 0.974 564 E CA 0.844 57.239 56.400 -0.009 0.000 0.808 564 E CB -0.220 29.499 29.700 0.032 0.000 0.768 564 E HN 0.544 nan 8.360 nan 0.000 0.453 565 Q N 0.405 120.110 119.800 -0.158 0.000 2.488 565 Q HA -0.036 4.305 4.340 0.002 0.000 0.211 565 Q C 2.078 177.891 176.000 -0.312 0.000 0.967 565 Q CA 0.305 55.937 55.803 -0.284 0.000 0.926 565 Q CB 0.306 28.693 28.738 -0.586 0.000 0.992 565 Q HN 0.199 nan 8.270 nan 0.000 0.506 566 V N 1.850 121.630 119.914 -0.223 0.000 2.568 566 V HA -0.229 3.892 4.120 0.002 0.000 0.253 566 V C 1.923 177.939 176.094 -0.131 0.000 1.072 566 V CA 1.730 63.926 62.300 -0.173 0.000 1.084 566 V CB -0.398 31.323 31.823 -0.171 0.000 0.676 566 V HN 0.550 nan 8.190 nan 0.000 0.469 567 I N -2.142 118.351 120.570 -0.128 0.000 3.111 567 I HA -0.003 4.168 4.170 0.002 0.000 0.272 567 I C 1.440 177.513 176.117 -0.074 0.000 1.268 567 I CA 0.457 61.684 61.300 -0.121 0.000 1.467 567 I CB -0.828 37.068 38.000 -0.174 0.000 1.087 567 I HN 0.344 nan 8.210 nan 0.000 0.467 568 H N 3.999 123.014 119.070 -0.092 0.000 3.125 568 H HA -0.013 4.544 4.556 0.002 0.000 0.310 568 H C 0.397 175.762 175.328 0.061 0.000 0.980 568 H CA 0.855 56.917 56.048 0.023 0.000 1.422 568 H CB 0.374 30.142 29.762 0.010 0.000 1.432 568 H HN 0.415 nan 8.280 nan 0.000 0.577 569 R N 2.464 122.758 120.500 -0.344 0.000 3.977 569 R HA -0.195 4.146 4.340 0.002 0.000 0.428 569 R C 0.057 176.447 176.300 0.151 0.000 1.079 569 R CA 1.555 57.621 56.100 -0.056 0.000 1.269 569 R CB -0.869 29.325 30.300 -0.177 0.000 1.856 569 R HN 0.729 nan 8.270 nan 0.000 0.551 570 R N 0.554 121.009 120.500 -0.076 0.000 2.635 570 R HA 0.271 4.612 4.340 0.002 0.000 0.393 570 R C -0.376 175.771 176.300 -0.255 0.000 1.070 570 R CA -0.456 55.618 56.100 -0.043 0.000 1.118 570 R CB 0.672 30.959 30.300 -0.020 0.000 1.341 570 R HN -0.008 nan 8.270 nan 0.000 0.628 571 L N 0.410 121.161 121.223 -0.788 0.000 2.525 571 L HA -0.008 4.333 4.340 0.002 0.000 0.278 571 L C 1.472 178.250 176.870 -0.153 0.000 1.218 571 L CA 1.392 55.779 54.840 -0.755 0.000 0.878 571 L CB 0.296 41.316 42.059 -1.730 0.000 1.127 571 L HN 0.754 nan 8.230 nan 0.000 0.492 572 G N 1.589 110.434 108.800 0.075 0.000 2.363 572 G HA2 -0.327 3.634 3.960 0.002 0.000 0.238 572 G HA3 -0.327 3.634 3.960 0.002 0.000 0.238 572 G C 0.884 175.784 174.900 -0.001 0.000 1.062 572 G CA 0.547 45.701 45.100 0.090 0.000 0.629 572 G HN 0.671 nan 8.290 nan 0.000 0.514 573 Q N -0.286 119.511 119.800 -0.005 0.000 1.967 573 Q HA -0.031 4.310 4.340 0.002 0.000 0.202 573 Q C 2.757 178.752 176.000 -0.008 0.000 0.985 573 Q CA 2.156 57.959 55.803 0.001 0.000 0.839 573 Q CB -0.466 28.277 28.738 0.008 0.000 0.906 573 Q HN 0.536 nan 8.270 nan 0.000 0.423 574 T N 1.206 115.737 114.554 -0.037 0.000 2.746 574 T HA -0.139 4.212 4.350 0.002 0.000 0.267 574 T C 1.558 176.224 174.700 -0.056 0.000 1.039 574 T CA 1.564 63.630 62.100 -0.056 0.000 1.142 574 T CB -0.208 68.599 68.868 -0.101 0.000 0.866 574 T HN 0.267 nan 8.240 nan 0.000 0.444 575 E N 1.239 121.406 120.200 -0.055 0.000 2.070 575 E HA -0.085 4.266 4.350 0.002 0.000 0.197 575 E C 2.157 178.747 176.600 -0.016 0.000 1.004 575 E CA 1.241 57.617 56.400 -0.040 0.000 0.805 575 E CB -0.338 29.363 29.700 0.002 0.000 0.744 575 E HN 0.447 nan 8.360 nan 0.000 0.451 576 M N -0.025 119.571 119.600 -0.007 0.000 2.175 576 M HA -0.075 4.406 4.480 0.002 0.000 0.264 576 M C 2.395 178.732 176.300 0.061 0.000 1.063 576 M CA 1.299 56.617 55.300 0.031 0.000 1.119 576 M CB -0.263 32.373 32.600 0.059 0.000 1.377 576 M HN 0.212 nan 8.290 nan 0.000 0.415 577 A N 0.700 123.550 122.820 0.050 0.000 1.883 577 A HA -0.215 4.106 4.320 0.002 0.000 0.217 577 A C 1.667 179.261 177.584 0.017 0.000 1.186 577 A CA 2.220 54.279 52.037 0.038 0.000 0.624 577 A CB -0.780 18.234 19.000 0.024 0.000 0.822 577 A HN 0.394 nan 8.150 nan 0.000 0.444 578 D N -0.568 119.835 120.400 0.004 0.000 2.144 578 D HA -0.109 4.532 4.640 0.002 0.000 0.200 578 D C 2.160 178.496 176.300 0.060 0.000 0.978 578 D CA 1.067 55.076 54.000 0.014 0.000 0.833 578 D CB -0.328 40.461 40.800 -0.019 0.000 0.961 578 D HN 0.383 nan 8.370 nan 0.000 0.470 579 Q N -0.303 119.538 119.800 0.068 0.000 2.170 579 Q HA -0.059 4.282 4.340 0.002 0.000 0.203 579 Q C 1.997 178.071 176.000 0.123 0.000 0.976 579 Q CA 0.749 56.627 55.803 0.126 0.000 0.858 579 Q CB -0.187 28.612 28.738 0.102 0.000 0.907 579 Q HN 0.344 nan 8.270 nan 0.000 0.433 580 M N -0.655 118.968 119.600 0.039 0.000 2.319 580 M HA -0.095 4.386 4.480 0.002 0.000 0.265 580 M C 2.239 178.523 176.300 -0.027 0.000 1.068 580 M CA 0.587 55.858 55.300 -0.048 0.000 1.118 580 M CB -1.222 31.262 32.600 -0.192 0.000 1.395 580 M HN 0.215 nan 8.290 nan 0.000 0.435 581 C N 0.157 119.468 119.300 0.018 0.000 2.440 581 C HA -0.040 4.421 4.460 0.002 0.000 0.278 581 C C 2.886 177.914 174.990 0.064 0.000 1.295 581 C CA 0.941 59.979 59.018 0.033 0.000 1.738 581 C CB -1.800 25.966 27.740 0.044 0.000 1.987 581 C HN 0.676 nan 8.230 nan 0.000 0.492 582 G N 0.528 109.404 108.800 0.127 0.000 2.418 582 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 582 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 582 G C 1.670 176.486 174.900 -0.139 0.000 1.158 582 G CA 1.336 46.535 45.100 0.167 0.000 0.771 582 G HN 0.395 nan 8.290 nan 0.000 0.545 583 V N 1.411 121.276 119.914 -0.082 0.000 2.295 583 V HA -0.168 3.953 4.120 0.002 0.000 0.246 583 V C 2.604 178.568 176.094 -0.217 0.000 1.049 583 V CA 2.143 64.328 62.300 -0.193 0.000 1.024 583 V CB -0.459 31.248 31.823 -0.193 0.000 0.648 583 V HN 0.273 nan 8.190 nan 0.000 0.447 584 D N -0.258 120.060 120.400 -0.135 0.000 2.116 584 D HA -0.231 4.410 4.640 0.002 0.000 0.193 584 D C 1.900 178.123 176.300 -0.127 0.000 0.998 584 D CA 1.705 55.637 54.000 -0.114 0.000 0.836 584 D CB -0.396 40.375 40.800 -0.049 0.000 0.951 584 D HN 0.490 nan 8.370 nan 0.000 0.449 585 F N 1.295 121.099 119.950 -0.243 0.000 2.102 585 F HA -0.134 4.394 4.527 0.001 0.000 0.298 585 F C 2.172 177.731 175.800 -0.401 0.000 1.105 585 F CA 1.103 58.932 58.000 -0.285 0.000 1.239 585 F CB -0.396 38.420 39.000 -0.306 0.000 0.991 585 F HN -0.108 nan 8.300 nan 0.000 0.474 586 L N 0.326 121.156 121.223 -0.654 0.000 2.046 586 L HA -0.244 4.097 4.340 0.002 0.000 0.208 586 L C 2.435 178.895 176.870 -0.683 0.000 1.077 586 L CA 1.729 56.085 54.840 -0.806 0.000 0.747 586 L CB -0.719 40.965 42.059 -0.625 0.000 0.896 586 L HN 0.080 nan 8.230 nan 0.000 0.432 587 K N -0.248 119.868 120.400 -0.473 0.000 2.280 587 K HA -0.124 4.197 4.320 0.002 0.000 0.202 587 K C 2.164 178.548 176.600 -0.361 0.000 1.047 587 K CA 1.417 57.480 56.287 -0.374 0.000 0.942 587 K CB -0.139 32.202 32.500 -0.266 0.000 0.739 587 K HN 0.350 nan 8.250 nan 0.000 0.457 588 S N 0.537 115.997 115.700 -0.400 0.000 2.522 588 S HA -0.040 4.431 4.470 0.002 0.000 0.227 588 S C 0.569 174.926 174.600 -0.405 0.000 0.986 588 S CA 0.134 58.134 58.200 -0.333 0.000 0.929 588 S CB 0.076 63.117 63.200 -0.265 0.000 0.769 588 S HN 0.072 nan 8.310 nan 0.000 0.529 589 Q N 2.164 121.595 119.800 -0.614 0.000 2.279 589 Q HA 0.292 4.633 4.340 0.002 0.000 0.256 589 Q C 1.255 176.921 176.000 -0.557 0.000 0.937 589 Q CA 0.328 55.727 55.803 -0.674 0.000 0.933 589 Q CB 1.530 29.544 28.738 -1.207 0.000 1.189 589 Q HN 0.533 nan 8.270 nan 0.000 0.417 590 S N 2.494 118.031 115.700 -0.272 0.000 2.399 590 S HA -0.108 4.363 4.470 0.002 0.000 0.231 590 S C 1.301 175.865 174.600 -0.059 0.000 1.022 590 S CA 0.843 58.970 58.200 -0.121 0.000 0.983 590 S CB -0.336 62.870 63.200 0.010 0.000 0.803 590 S HN 0.847 nan 8.310 nan 0.000 0.480 591 W N 1.586 122.931 121.300 0.074 0.000 2.937 591 W HA 0.403 5.065 4.660 0.002 0.000 0.245 591 W C -0.432 176.192 176.519 0.174 0.000 1.306 591 W CA -0.530 56.931 57.345 0.193 0.000 1.470 591 W CB -0.743 28.991 29.460 0.456 0.000 1.132 591 W HN -0.009 nan 8.180 nan 0.000 0.675 592 V N 3.646 123.258 119.914 -0.503 0.000 2.488 592 V HA -0.018 4.103 4.120 0.002 0.000 0.277 592 V C 0.109 176.088 176.094 -0.192 0.000 1.046 592 V CA -0.056 61.982 62.300 -0.436 0.000 0.986 592 V CB 1.023 32.396 31.823 -0.751 0.000 0.989 592 V HN -0.114 nan 8.190 nan 0.000 0.475 593 D N 4.511 124.865 120.400 -0.076 0.000 2.374 593 D HA 0.274 4.915 4.640 0.002 0.000 0.240 593 D C 0.993 177.232 176.300 -0.101 0.000 1.229 593 D CA 0.110 54.065 54.000 -0.075 0.000 0.895 593 D CB 1.565 42.340 40.800 -0.042 0.000 1.046 593 D HN 0.615 nan 8.370 nan 0.000 0.498 594 A N 3.914 126.654 122.820 -0.133 0.000 2.125 594 A HA -0.153 4.168 4.320 0.002 0.000 0.219 594 A C 1.402 178.921 177.584 -0.108 0.000 1.156 594 A CA 0.974 52.923 52.037 -0.147 0.000 0.671 594 A CB 0.082 18.989 19.000 -0.155 0.000 0.794 594 A HN 0.482 nan 8.150 nan 0.000 0.459 595 D N -0.845 119.512 120.400 -0.071 0.000 2.339 595 D HA 0.080 4.721 4.640 0.002 0.000 0.217 595 D C 0.487 176.783 176.300 -0.007 0.000 1.050 595 D CA 0.344 54.319 54.000 -0.041 0.000 0.856 595 D CB 0.112 40.895 40.800 -0.029 0.000 0.922 595 D HN 0.413 nan 8.370 nan 0.000 0.518 596 R N 0.598 121.097 120.500 -0.002 0.000 2.886 596 R HA 0.390 4.731 4.340 0.002 0.000 0.306 596 R C -0.327 176.025 176.300 0.087 0.000 1.300 596 R CA -0.222 55.914 56.100 0.060 0.000 1.441 596 R CB 0.873 31.205 30.300 0.053 0.000 1.328 596 R HN -0.022 nan 8.270 nan 0.000 0.629 597 I N 0.434 121.037 120.570 0.055 0.000 2.359 597 I HA 0.421 4.592 4.170 0.002 0.000 0.294 597 I C 0.798 177.059 176.117 0.239 0.000 0.987 597 I CA -0.485 60.857 61.300 0.070 0.000 1.225 597 I CB 1.837 39.760 38.000 -0.129 0.000 1.366 597 I HN 0.253 nan 8.210 nan 0.000 0.466 598 G N 4.419 113.433 108.800 0.357 0.000 3.013 598 G HA2 0.725 4.686 3.960 0.002 0.000 0.278 598 G HA3 0.725 4.686 3.960 0.002 0.000 0.278 598 G C -1.567 173.669 174.900 0.561 0.000 1.353 598 G CA -0.604 44.818 45.100 0.538 0.000 1.043 598 G HN 0.431 nan 8.290 nan 0.000 0.523 599 V N -0.645 119.600 119.914 0.551 0.000 2.969 599 V HA 0.743 4.864 4.120 0.002 0.000 0.304 599 V C -1.898 174.461 176.094 0.442 0.000 1.192 599 V CA -0.727 61.772 62.300 0.331 0.000 0.962 599 V CB 2.055 33.820 31.823 -0.098 0.000 1.045 599 V HN 1.214 nan 8.190 nan 0.000 0.428 600 H N 3.407 122.588 119.070 0.186 0.000 2.894 600 H HA 0.912 5.469 4.556 0.002 0.000 0.367 600 H C -0.417 174.797 175.328 -0.191 0.000 1.144 600 H CA 0.223 56.336 56.048 0.109 0.000 1.180 600 H CB 2.278 32.133 29.762 0.155 0.000 1.758 600 H HN 1.188 nan 8.280 nan 0.000 0.541 601 G N 1.846 110.212 108.800 -0.724 0.000 2.523 601 G HA2 0.296 4.257 3.960 0.002 0.000 0.291 601 G HA3 0.296 4.257 3.960 0.002 0.000 0.291 601 G C -2.176 172.473 174.900 -0.418 0.000 1.450 601 G CA -0.882 43.751 45.100 -0.779 0.000 0.790 601 G HN 0.456 nan 8.290 nan 0.000 0.496 602 W N 0.642 121.747 121.300 -0.325 0.000 2.785 602 W HA 0.547 5.208 4.660 0.002 0.000 0.333 602 W C 0.717 177.234 176.519 -0.003 0.000 1.062 602 W CA 0.567 57.809 57.345 -0.171 0.000 1.233 602 W CB 2.023 31.396 29.460 -0.145 0.000 1.413 602 W HN 1.218 nan 8.180 nan 0.000 0.489 603 S N 2.404 118.027 115.700 -0.129 0.000 4.142 603 S HA -0.412 4.059 4.470 0.002 0.000 0.624 603 S C 1.045 175.654 174.600 0.014 0.000 1.892 603 S CA 1.633 59.908 58.200 0.125 0.000 4.236 603 S CB -1.859 61.688 63.200 0.580 0.000 0.204 603 S HN 0.731 nan 8.310 nan 0.000 0.486 604 Y N 2.154 122.424 120.300 -0.050 0.000 2.256 604 Y HA 0.007 4.558 4.550 0.002 0.000 0.288 604 Y C 2.349 178.101 175.900 -0.246 0.000 1.155 604 Y CA 2.458 60.425 58.100 -0.223 0.000 1.203 604 Y CB -0.859 37.248 38.460 -0.587 0.000 0.980 604 Y HN 0.531 nan 8.280 nan 0.000 0.530 605 G N -1.220 107.525 108.800 -0.092 0.000 2.471 605 G HA2 -0.168 3.793 3.960 0.002 0.000 0.219 605 G HA3 -0.168 3.793 3.960 0.002 0.000 0.219 605 G C 1.809 176.579 174.900 -0.216 0.000 1.125 605 G CA 0.671 45.690 45.100 -0.135 0.000 0.775 605 G HN 0.552 nan 8.290 nan 0.000 0.548 606 G N 0.472 109.141 108.800 -0.217 0.000 2.396 606 G HA2 -0.089 3.872 3.960 0.002 0.000 0.214 606 G HA3 -0.089 3.872 3.960 0.002 0.000 0.214 606 G C 1.533 176.277 174.900 -0.258 0.000 1.166 606 G CA 0.674 45.591 45.100 -0.305 0.000 0.793 606 G HN 0.404 nan 8.290 nan 0.000 0.533 607 F N 0.977 120.697 119.950 -0.383 0.000 2.069 607 F HA -0.132 4.396 4.527 0.002 0.000 0.298 607 F C 2.652 178.272 175.800 -0.299 0.000 1.113 607 F CA 1.632 59.407 58.000 -0.375 0.000 1.214 607 F CB 0.048 38.768 39.000 -0.466 0.000 0.978 607 F HN -0.007 nan 8.300 nan 0.000 0.474 608 M N 0.399 119.685 119.600 -0.524 0.000 2.117 608 M HA -0.170 4.311 4.480 0.002 0.000 0.262 608 M C 2.187 178.211 176.300 -0.461 0.000 1.065 608 M CA 1.928 56.886 55.300 -0.571 0.000 1.114 608 M CB -1.655 30.770 32.600 -0.291 0.000 1.361 608 M HN 0.182 nan 8.290 nan 0.000 0.408 609 T N 0.692 115.027 114.554 -0.365 0.000 2.652 609 T HA -0.146 4.205 4.350 0.002 0.000 0.267 609 T C 1.804 176.314 174.700 -0.317 0.000 1.039 609 T CA 2.235 64.145 62.100 -0.317 0.000 1.153 609 T CB -0.401 68.334 68.868 -0.221 0.000 0.863 609 T HN 0.418 nan 8.240 nan 0.000 0.428 610 T N 2.115 116.466 114.554 -0.337 0.000 2.708 610 T HA -0.115 4.236 4.350 0.002 0.000 0.266 610 T C 2.056 176.579 174.700 -0.294 0.000 1.037 610 T CA 1.113 63.010 62.100 -0.338 0.000 1.146 610 T CB -0.449 68.129 68.868 -0.484 0.000 0.865 610 T HN 0.245 nan 8.240 nan 0.000 0.435 611 N N 1.094 119.554 118.700 -0.400 0.000 2.120 611 N HA 0.001 4.742 4.740 0.002 0.000 0.188 611 N C 1.784 177.154 175.510 -0.234 0.000 1.024 611 N CA 1.031 53.867 53.050 -0.357 0.000 0.852 611 N CB -0.492 37.599 38.487 -0.660 0.000 1.003 611 N HN 0.355 nan 8.380 nan 0.000 0.424 612 L N -0.039 121.014 121.223 -0.283 0.000 2.046 612 L HA -0.098 4.243 4.340 0.002 0.000 0.208 612 L C 2.472 179.310 176.870 -0.054 0.000 1.077 612 L CA 0.904 55.618 54.840 -0.210 0.000 0.747 612 L CB -0.295 41.383 42.059 -0.635 0.000 0.896 612 L HN 0.212 nan 8.230 nan 0.000 0.432 613 M N -0.693 118.846 119.600 -0.102 0.000 2.117 613 M HA -0.216 4.265 4.480 0.002 0.000 0.262 613 M C 2.242 178.599 176.300 0.095 0.000 1.065 613 M CA 1.745 57.093 55.300 0.078 0.000 1.114 613 M CB -0.306 32.330 32.600 0.060 0.000 1.361 613 M HN 0.259 nan 8.290 nan 0.000 0.408 614 L N -1.164 120.078 121.223 0.032 0.000 2.109 614 L HA -0.116 4.225 4.340 0.002 0.000 0.207 614 L C 2.324 179.192 176.870 -0.004 0.000 1.086 614 L CA 1.039 55.904 54.840 0.042 0.000 0.760 614 L CB -0.831 41.258 42.059 0.051 0.000 0.910 614 L HN 0.273 nan 8.230 nan 0.000 0.437 615 T N -2.499 112.016 114.554 -0.065 0.000 2.937 615 T HA -0.014 4.337 4.350 0.002 0.000 0.260 615 T C 0.825 175.303 174.700 -0.371 0.000 1.051 615 T CA 0.826 62.786 62.100 -0.234 0.000 1.141 615 T CB -0.008 68.669 68.868 -0.318 0.000 0.879 615 T HN 0.254 nan 8.240 nan 0.000 0.459 616 H N 0.200 119.355 119.070 0.142 0.000 2.551 616 H HA 0.401 4.958 4.556 0.002 0.000 0.238 616 H C 1.541 176.997 175.328 0.213 0.000 1.345 616 H CA -0.423 55.738 56.048 0.189 0.000 1.105 616 H CB 0.132 30.074 29.762 0.300 0.000 1.805 616 H HN 0.330 nan 8.280 nan 0.000 0.553 617 G N 0.281 109.199 108.800 0.197 0.000 2.470 617 G HA2 -0.217 3.744 3.960 0.002 0.000 0.220 617 G HA3 -0.217 3.744 3.960 0.002 0.000 0.220 617 G C 1.141 176.120 174.900 0.132 0.000 1.121 617 G CA 0.367 45.567 45.100 0.167 0.000 0.766 617 G HN 0.292 nan 8.290 nan 0.000 0.553 618 D N -0.184 120.278 120.400 0.102 0.000 2.277 618 D HA -0.003 4.638 4.640 0.002 0.000 0.208 618 D C 2.591 178.893 176.300 0.003 0.000 0.962 618 D CA 0.341 54.371 54.000 0.050 0.000 0.865 618 D CB 0.266 41.089 40.800 0.037 0.000 0.939 618 D HN 0.279 nan 8.370 nan 0.000 0.510 619 V N -0.200 119.698 119.914 -0.026 0.000 2.436 619 V HA 0.030 4.151 4.120 0.002 0.000 0.240 619 V C 0.586 176.500 176.094 -0.300 0.000 1.040 619 V CA 0.560 62.708 62.300 -0.253 0.000 1.052 619 V CB -0.172 31.341 31.823 -0.517 0.000 0.707 619 V HN -0.018 nan 8.190 nan 0.000 0.469 620 F N 1.313 121.321 119.950 0.097 0.000 2.375 620 F HA 0.371 4.899 4.527 0.002 0.000 0.362 620 F C 1.354 177.230 175.800 0.127 0.000 1.129 620 F CA -0.451 57.622 58.000 0.121 0.000 1.154 620 F CB 0.884 39.961 39.000 0.128 0.000 1.205 620 F HN -0.131 nan 8.300 nan 0.000 0.513 621 K N 1.825 122.383 120.400 0.262 0.000 2.137 621 K HA 0.163 4.484 4.320 0.002 0.000 0.202 621 K C 0.157 176.897 176.600 0.233 0.000 1.052 621 K CA 0.676 57.085 56.287 0.204 0.000 0.961 621 K CB 0.282 32.882 32.500 0.166 0.000 0.741 621 K HN 0.304 nan 8.250 nan 0.000 0.452 622 V N -0.369 119.741 119.914 0.328 0.000 2.808 622 V HA 0.654 4.775 4.120 0.002 0.000 0.308 622 V C -0.154 176.205 176.094 0.441 0.000 1.099 622 V CA -0.941 61.555 62.300 0.326 0.000 0.920 622 V CB 2.042 34.063 31.823 0.330 0.000 1.014 622 V HN 0.317 nan 8.190 nan 0.000 0.425 623 G N 1.865 110.841 108.800 0.294 0.000 2.690 623 G HA2 0.730 4.691 3.960 0.002 0.000 0.291 623 G HA3 0.730 4.691 3.960 0.002 0.000 0.291 623 G C -1.980 172.948 174.900 0.047 0.000 1.403 623 G CA -0.666 44.601 45.100 0.279 0.000 0.864 623 G HN 0.611 nan 8.290 nan 0.000 0.480 624 V N 0.121 120.100 119.914 0.109 0.000 2.577 624 V HA 0.744 4.865 4.120 0.002 0.000 0.303 624 V C -0.062 176.096 176.094 0.107 0.000 1.042 624 V CA -0.669 61.611 62.300 -0.033 0.000 0.872 624 V CB 1.472 33.201 31.823 -0.158 0.000 0.998 624 V HN 1.309 nan 8.190 nan 0.000 0.423 625 A N 3.490 126.255 122.820 -0.091 0.000 2.310 625 A HA 0.851 5.172 4.320 0.002 0.000 0.304 625 A C 0.218 177.540 177.584 -0.438 0.000 1.231 625 A CA -0.112 51.789 52.037 -0.226 0.000 0.799 625 A CB 1.074 19.922 19.000 -0.253 0.000 1.162 625 A HN 1.056 nan 8.150 nan 0.000 0.486 626 G N 0.617 108.931 108.800 -0.810 0.000 2.389 626 G HA2 0.538 4.499 3.960 0.002 0.000 0.317 626 G HA3 0.538 4.499 3.960 0.002 0.000 0.317 626 G C 0.900 174.643 174.900 -1.928 0.000 1.137 626 G CA 0.013 44.008 45.100 -1.842 0.000 0.870 626 G HN 2.011 nan 8.290 nan 0.000 0.496 627 G N 1.923 109.778 108.800 -1.575 0.000 2.451 627 G HA2 -0.198 3.763 3.960 0.002 0.000 0.296 627 G HA3 -0.198 3.763 3.960 0.002 0.000 0.296 627 G C -1.701 172.827 174.900 -0.620 0.000 0.922 627 G CA 0.164 44.613 45.100 -1.085 0.000 1.074 627 G HN 0.644 nan 8.290 nan 0.000 0.509 628 P HA 0.362 nan 4.420 nan 0.000 0.280 628 P C 0.396 177.481 177.300 -0.358 0.000 1.244 628 P CA -0.285 62.601 63.100 -0.357 0.000 0.784 628 P CB 1.655 33.173 31.700 -0.304 0.000 0.913 629 V N 5.249 124.851 119.914 -0.520 0.000 2.555 629 V HA 0.055 4.176 4.120 0.002 0.000 0.286 629 V C 1.642 177.464 176.094 -0.453 0.000 1.044 629 V CA 0.674 62.450 62.300 -0.875 0.000 1.026 629 V CB 0.312 31.211 31.823 -1.541 0.000 0.981 629 V HN 0.535 nan 8.190 nan 0.000 0.480 630 I N 1.522 122.011 120.570 -0.135 0.000 4.398 630 I HA 0.243 4.414 4.170 0.002 0.000 0.310 630 I C 0.158 176.335 176.117 0.100 0.000 1.232 630 I CA 0.402 61.736 61.300 0.056 0.000 1.312 630 I CB 0.799 38.878 38.000 0.131 0.000 1.347 630 I HN 0.629 nan 8.210 nan 0.000 0.454 631 D N -0.722 119.757 120.400 0.133 0.000 2.469 631 D HA 0.138 4.779 4.640 0.002 0.000 0.251 631 D C 0.097 176.475 176.300 0.130 0.000 1.173 631 D CA -0.576 53.493 54.000 0.115 0.000 0.882 631 D CB 0.731 41.565 40.800 0.056 0.000 1.129 631 D HN 0.034 nan 8.370 nan 0.000 0.549 632 W N 2.484 123.913 121.300 0.214 0.000 2.525 632 W HA -0.041 4.620 4.660 0.002 0.000 0.259 632 W C 2.009 178.807 176.519 0.464 0.000 1.253 632 W CA 0.012 57.514 57.345 0.262 0.000 1.262 632 W CB -0.092 29.436 29.460 0.112 0.000 1.122 632 W HN 0.433 nan 8.180 nan 0.000 0.607 633 N N 0.908 119.963 118.700 0.592 0.000 2.364 633 N HA -0.135 4.606 4.740 0.002 0.000 0.183 633 N C 1.148 176.828 175.510 0.284 0.000 1.022 633 N CA 1.058 54.341 53.050 0.388 0.000 0.883 633 N CB -0.077 38.518 38.487 0.180 0.000 0.965 633 N HN 0.220 nan 8.380 nan 0.000 0.438 634 R N -1.405 119.248 120.500 0.255 0.000 2.393 634 R HA 0.079 4.420 4.340 0.002 0.000 0.244 634 R C -0.309 176.242 176.300 0.418 0.000 0.920 634 R CA -0.317 55.889 56.100 0.177 0.000 1.076 634 R CB 0.221 30.409 30.300 -0.187 0.000 1.119 634 R HN 0.138 nan 8.270 nan 0.000 0.524 635 Y N 0.790 121.316 120.300 0.377 0.000 2.374 635 Y HA 0.410 4.961 4.550 0.002 0.000 0.322 635 Y C 0.257 176.410 175.900 0.422 0.000 1.275 635 Y CA -1.436 56.911 58.100 0.412 0.000 1.307 635 Y CB 0.811 39.438 38.460 0.278 0.000 1.282 635 Y HN 0.037 nan 8.280 nan 0.000 0.509 636 A N 4.496 127.099 122.820 -0.362 0.000 2.498 636 A HA 0.142 4.463 4.320 0.002 0.000 0.239 636 A C 1.279 178.866 177.584 0.006 0.000 1.068 636 A CA -0.097 51.685 52.037 -0.425 0.000 0.766 636 A CB -0.322 18.224 19.000 -0.757 0.000 1.003 636 A HN 0.972 nan 8.150 nan 0.000 0.497 637 I N 1.054 121.614 120.570 -0.016 0.000 2.113 637 I HA -0.358 3.813 4.170 0.002 0.000 0.242 637 I C 2.144 178.317 176.117 0.094 0.000 1.064 637 I CA 2.222 63.579 61.300 0.095 0.000 1.320 637 I CB -0.224 37.819 38.000 0.072 0.000 1.028 637 I HN 0.742 nan 8.210 nan 0.000 0.406 638 M N -1.413 118.166 119.600 -0.035 0.000 2.394 638 M HA -0.149 4.332 4.480 0.002 0.000 0.264 638 M C 2.025 178.239 176.300 -0.143 0.000 1.073 638 M CA 1.618 56.790 55.300 -0.213 0.000 1.111 638 M CB -0.533 31.832 32.600 -0.391 0.000 1.401 638 M HN 0.253 nan 8.290 nan 0.000 0.448 639 Y N -0.173 120.109 120.300 -0.030 0.000 2.266 639 Y HA 0.229 4.780 4.550 0.002 0.000 0.294 639 Y C 2.301 178.352 175.900 0.252 0.000 1.127 639 Y CA 1.189 59.373 58.100 0.139 0.000 1.140 639 Y CB -0.590 38.132 38.460 0.437 0.000 1.071 639 Y HN 0.116 nan 8.280 nan 0.000 0.525 640 G N 0.209 109.448 108.800 0.732 0.000 2.440 640 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 640 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 640 G C 1.333 176.454 174.900 0.368 0.000 1.154 640 G CA 1.210 46.725 45.100 0.691 0.000 0.767 640 G HN 0.533 nan 8.290 nan 0.000 0.552 641 E N -0.349 120.013 120.200 0.270 0.000 2.285 641 E HA 0.005 4.355 4.350 0.002 0.000 0.194 641 E C 2.412 179.057 176.600 0.076 0.000 0.997 641 E CA -0.038 56.495 56.400 0.222 0.000 0.845 641 E CB 0.015 29.846 29.700 0.217 0.000 0.782 641 E HN 0.407 nan 8.360 nan 0.000 0.491 642 R N 0.436 120.825 120.500 -0.185 0.000 2.070 642 R HA -0.169 4.172 4.340 0.002 0.000 0.232 642 R C 1.653 177.589 176.300 -0.608 0.000 1.138 642 R CA 1.619 57.381 56.100 -0.563 0.000 0.936 642 R CB -0.182 29.438 30.300 -1.133 0.000 0.839 642 R HN 0.222 nan 8.270 nan 0.000 0.429 643 Y N -1.769 118.339 120.300 -0.321 0.000 2.420 643 Y HA 0.008 4.559 4.550 0.002 0.000 0.292 643 Y C 1.739 177.614 175.900 -0.040 0.000 1.119 643 Y CA 0.565 58.521 58.100 -0.240 0.000 1.229 643 Y CB 0.109 38.266 38.460 -0.505 0.000 1.026 643 Y HN 0.099 nan 8.280 nan 0.000 0.554 644 F N -0.481 119.445 119.950 -0.039 0.000 2.706 644 F HA 0.112 4.640 4.527 0.002 0.000 0.308 644 F C -0.086 175.743 175.800 0.049 0.000 1.095 644 F CA -0.515 57.399 58.000 -0.142 0.000 1.244 644 F CB 0.586 39.354 39.000 -0.387 0.000 1.063 644 F HN -0.070 nan 8.300 nan 0.000 0.582 645 D N 0.254 120.853 120.400 0.331 0.000 4.556 645 D HA -0.212 4.429 4.640 0.002 0.000 0.303 645 D C -0.244 176.248 176.300 0.320 0.000 2.368 645 D CA 0.947 55.118 54.000 0.286 0.000 1.145 645 D CB -0.419 40.504 40.800 0.205 0.000 1.097 645 D HN 0.248 nan 8.370 nan 0.000 1.280 646 A N 0.313 123.235 122.820 0.171 0.000 2.322 646 A HA 0.545 4.866 4.320 0.002 0.000 0.269 646 A C -1.491 175.962 177.584 -0.217 0.000 1.094 646 A CA -0.630 51.435 52.037 0.048 0.000 0.807 646 A CB 0.537 19.549 19.000 0.020 0.000 1.047 646 A HN 0.325 nan 8.150 nan 0.000 0.487 647 P HA -0.181 nan 4.420 nan 0.000 0.216 647 P C 0.990 178.015 177.300 -0.459 0.000 1.150 647 P CA 1.481 63.935 63.100 -1.077 0.000 0.837 647 P CB 0.146 31.354 31.700 -0.820 0.000 0.786 648 Q N -0.290 119.358 119.800 -0.254 0.000 2.167 648 Q HA -0.144 4.197 4.340 0.002 0.000 0.202 648 Q C 1.879 177.823 176.000 -0.093 0.000 0.970 648 Q CA 1.336 57.055 55.803 -0.139 0.000 0.855 648 Q CB -0.733 27.952 28.738 -0.089 0.000 0.911 648 Q HN 0.451 nan 8.270 nan 0.000 0.438 649 E N -0.212 119.943 120.200 -0.075 0.000 2.371 649 E HA -0.015 4.336 4.350 0.002 0.000 0.194 649 E C 0.227 176.822 176.600 -0.008 0.000 1.012 649 E CA 0.409 56.797 56.400 -0.019 0.000 0.860 649 E CB 0.225 29.939 29.700 0.023 0.000 0.811 649 E HN 0.110 nan 8.360 nan 0.000 0.502 650 N N -0.038 118.639 118.700 -0.039 0.000 2.664 650 N HA 0.078 4.819 4.740 0.002 0.000 0.287 650 N C -2.196 173.313 175.510 -0.002 0.000 1.869 650 N CA -1.569 51.491 53.050 0.016 0.000 0.832 650 N CB 0.697 39.244 38.487 0.100 0.000 1.293 650 N HN -0.153 nan 8.380 nan 0.000 0.498 651 P HA -0.108 nan 4.420 nan 0.000 0.218 651 P C 0.808 178.121 177.300 0.022 0.000 1.149 651 P CA 1.132 64.211 63.100 -0.035 0.000 0.817 651 P CB 0.686 32.363 31.700 -0.039 0.000 0.785 652 E N -0.139 120.080 120.200 0.031 0.000 2.051 652 E HA -0.100 4.251 4.350 0.002 0.000 0.192 652 E C 2.383 179.028 176.600 0.074 0.000 0.991 652 E CA 1.328 57.757 56.400 0.049 0.000 0.799 652 E CB -0.763 28.964 29.700 0.045 0.000 0.748 652 E HN 0.274 nan 8.360 nan 0.000 0.449 653 G N 0.145 108.991 108.800 0.076 0.000 2.404 653 G HA2 -0.256 3.705 3.960 0.002 0.000 0.215 653 G HA3 -0.256 3.705 3.960 0.002 0.000 0.215 653 G C 1.204 176.101 174.900 -0.005 0.000 1.174 653 G CA 0.629 45.809 45.100 0.134 0.000 0.780 653 G HN 0.219 nan 8.290 nan 0.000 0.537 654 Y N 1.236 121.251 120.300 -0.474 0.000 2.128 654 Y HA -0.126 4.424 4.550 0.002 0.000 0.284 654 Y C 2.802 178.675 175.900 -0.044 0.000 1.154 654 Y CA 1.514 59.324 58.100 -0.484 0.000 1.149 654 Y CB 0.005 38.209 38.460 -0.428 0.000 0.976 654 Y HN 0.140 nan 8.280 nan 0.000 0.505 655 D N -0.446 120.036 120.400 0.138 0.000 2.117 655 D HA -0.181 4.460 4.640 0.002 0.000 0.197 655 D C 2.211 178.598 176.300 0.145 0.000 0.987 655 D CA 1.366 55.442 54.000 0.127 0.000 0.829 655 D CB -0.528 40.321 40.800 0.082 0.000 0.961 655 D HN 0.353 nan 8.370 nan 0.000 0.460 656 A N 0.495 123.405 122.820 0.149 0.000 1.972 656 A HA 0.027 4.348 4.320 0.002 0.000 0.219 656 A C 2.112 179.826 177.584 0.218 0.000 1.169 656 A CA 1.853 53.983 52.037 0.155 0.000 0.635 656 A CB -0.313 18.770 19.000 0.139 0.000 0.810 656 A HN 0.229 nan 8.150 nan 0.000 0.446 657 A N -0.759 122.252 122.820 0.319 0.000 2.308 657 A HA 0.157 4.478 4.320 0.002 0.000 0.217 657 A C 0.865 178.739 177.584 0.483 0.000 1.216 657 A CA 0.012 52.332 52.037 0.471 0.000 0.864 657 A CB -0.325 19.023 19.000 0.581 0.000 0.902 657 A HN 0.379 nan 8.150 nan 0.000 0.499 658 N N 1.477 120.376 118.700 0.331 0.000 2.448 658 N HA 0.197 4.938 4.740 0.002 0.000 0.250 658 N C 0.617 176.269 175.510 0.237 0.000 1.136 658 N CA -0.122 53.094 53.050 0.277 0.000 0.953 658 N CB 0.169 38.781 38.487 0.209 0.000 1.251 658 N HN 0.366 nan 8.380 nan 0.000 0.502 659 L N 3.022 124.401 121.223 0.261 0.000 2.362 659 L HA -0.092 4.249 4.340 0.002 0.000 0.219 659 L C 1.843 178.907 176.870 0.324 0.000 1.134 659 L CA 0.532 55.523 54.840 0.252 0.000 0.807 659 L CB -0.183 41.972 42.059 0.160 0.000 0.927 659 L HN 0.515 nan 8.230 nan 0.000 0.447 660 L N -0.099 121.280 121.223 0.260 0.000 2.131 660 L HA -0.205 4.136 4.340 0.002 0.000 0.210 660 L C 2.415 179.332 176.870 0.079 0.000 1.092 660 L CA 1.330 56.270 54.840 0.168 0.000 0.759 660 L CB -0.529 41.589 42.059 0.097 0.000 0.903 660 L HN 0.263 nan 8.230 nan 0.000 0.435 661 K N 0.091 120.548 120.400 0.096 0.000 2.365 661 K HA -0.026 4.295 4.320 0.002 0.000 0.199 661 K C 1.325 177.955 176.600 0.050 0.000 1.045 661 K CA 0.710 57.032 56.287 0.058 0.000 0.962 661 K CB 0.120 32.663 32.500 0.070 0.000 0.759 661 K HN 0.305 nan 8.250 nan 0.000 0.469 662 R N -0.501 120.050 120.500 0.085 0.000 2.596 662 R HA 0.242 4.583 4.340 0.002 0.000 0.369 662 R C 1.275 177.623 176.300 0.080 0.000 1.042 662 R CA -0.055 56.089 56.100 0.073 0.000 1.120 662 R CB 0.796 31.146 30.300 0.085 0.000 1.353 662 R HN 0.037 nan 8.270 nan 0.000 0.564 663 A N 0.758 123.593 122.820 0.024 0.000 1.978 663 A HA -0.108 4.213 4.320 0.002 0.000 0.220 663 A C 2.105 179.618 177.584 -0.120 0.000 1.170 663 A CA 1.825 53.779 52.037 -0.139 0.000 0.636 663 A CB -0.632 18.078 19.000 -0.484 0.000 0.810 663 A HN 0.431 nan 8.150 nan 0.000 0.448 664 G N -0.787 107.964 108.800 -0.083 0.000 2.625 664 G HA2 -0.098 3.863 3.960 0.002 0.000 0.214 664 G HA3 -0.098 3.863 3.960 0.002 0.000 0.214 664 G C 0.650 175.543 174.900 -0.012 0.000 1.132 664 G CA 0.892 45.956 45.100 -0.060 0.000 0.782 664 G HN 0.477 nan 8.290 nan 0.000 0.538 665 D N -0.293 120.118 120.400 0.018 0.000 2.328 665 D HA 0.060 4.701 4.640 0.002 0.000 0.226 665 D C 0.561 176.902 176.300 0.067 0.000 1.066 665 D CA -0.233 53.791 54.000 0.040 0.000 0.861 665 D CB 0.433 41.258 40.800 0.040 0.000 0.912 665 D HN 0.223 nan 8.370 nan 0.000 0.521 666 L N 1.816 123.083 121.223 0.073 0.000 2.325 666 L HA 0.125 4.466 4.340 0.002 0.000 0.284 666 L C 1.113 178.039 176.870 0.094 0.000 1.089 666 L CA 0.222 55.127 54.840 0.108 0.000 0.836 666 L CB 0.323 42.461 42.059 0.132 0.000 1.184 666 L HN -0.108 nan 8.230 nan 0.000 0.444 667 K N 3.002 123.462 120.400 0.101 0.000 2.438 667 K HA 0.435 4.756 4.320 0.002 0.000 0.206 667 K C 0.498 177.156 176.600 0.097 0.000 1.081 667 K CA 0.080 56.423 56.287 0.094 0.000 1.053 667 K CB 0.580 33.126 32.500 0.076 0.000 0.908 667 K HN 0.617 nan 8.250 nan 0.000 0.556 668 G N 0.953 109.821 108.800 0.113 0.000 2.828 668 G HA2 0.407 4.368 3.960 0.002 0.000 0.244 668 G HA3 0.407 4.368 3.960 0.002 0.000 0.244 668 G C -0.940 174.019 174.900 0.098 0.000 1.365 668 G CA -0.842 44.323 45.100 0.108 0.000 1.041 668 G HN -0.022 nan 8.290 nan 0.000 0.560 669 R N -0.122 120.425 120.500 0.080 0.000 2.229 669 R HA 0.491 4.832 4.340 0.002 0.000 0.332 669 R C -1.351 175.082 176.300 0.223 0.000 0.989 669 R CA -0.682 55.452 56.100 0.058 0.000 0.842 669 R CB 0.674 30.828 30.300 -0.243 0.000 1.119 669 R HN 0.301 nan 8.270 nan 0.000 0.456 670 L N 3.436 124.794 121.223 0.225 0.000 2.406 670 L HA 0.527 4.868 4.340 0.002 0.000 0.272 670 L C -0.795 176.075 176.870 0.000 0.000 0.980 670 L CA -0.383 54.540 54.840 0.138 0.000 0.831 670 L CB 1.815 43.940 42.059 0.110 0.000 1.253 670 L HN 0.629 nan 8.230 nan 0.000 0.406 671 M N 5.111 124.503 119.600 -0.348 0.000 2.157 671 M HA 0.510 4.991 4.480 0.002 0.000 0.354 671 M C -1.574 174.626 176.300 -0.167 0.000 1.170 671 M CA -0.586 54.463 55.300 -0.419 0.000 1.060 671 M CB 0.946 32.948 32.600 -0.996 0.000 1.615 671 M HN 0.626 nan 8.290 nan 0.000 0.460 672 L N 6.285 127.535 121.223 0.046 0.000 2.325 672 L HA 0.595 4.936 4.340 0.002 0.000 0.279 672 L C -0.634 176.317 176.870 0.135 0.000 1.054 672 L CA -0.024 54.877 54.840 0.103 0.000 0.804 672 L CB 1.616 43.831 42.059 0.261 0.000 1.200 672 L HN 0.639 nan 8.230 nan 0.000 0.436 673 I N 1.373 121.920 120.570 -0.038 0.000 2.582 673 I HA 0.437 4.608 4.170 0.002 0.000 0.292 673 I C -1.026 175.042 176.117 -0.081 0.000 1.066 673 I CA -0.633 60.655 61.300 -0.021 0.000 1.053 673 I CB 2.123 40.172 38.000 0.081 0.000 1.241 673 I HN 0.580 nan 8.210 nan 0.000 0.421 674 H N 2.033 121.103 119.070 -0.000 0.000 2.894 674 H HA 0.511 5.068 4.556 0.002 0.000 0.367 674 H C -0.131 175.214 175.328 0.029 0.000 1.144 674 H CA -0.515 55.551 56.048 0.029 0.000 1.180 674 H CB 2.185 32.021 29.762 0.124 0.000 1.758 674 H HN 0.735 nan 8.280 nan 0.000 0.541 675 G N 1.395 110.363 108.800 0.279 0.000 2.364 675 G HA2 0.367 4.328 3.960 0.002 0.000 0.267 675 G HA3 0.367 4.328 3.960 0.002 0.000 0.267 675 G C 0.865 175.709 174.900 -0.093 0.000 1.233 675 G CA 0.156 45.369 45.100 0.188 0.000 0.885 675 G HN 0.823 nan 8.290 nan 0.000 0.490 676 A N 2.881 125.433 122.820 -0.445 0.000 1.972 676 A HA -0.075 4.246 4.320 0.002 0.000 0.219 676 A C 1.980 179.369 177.584 -0.325 0.000 1.169 676 A CA 1.472 52.894 52.037 -1.026 0.000 0.635 676 A CB -0.306 18.039 19.000 -1.092 0.000 0.810 676 A HN 1.144 nan 8.150 nan 0.000 0.446 677 I N -3.546 116.973 120.570 -0.085 0.000 3.884 677 I HA 0.220 4.391 4.170 0.002 0.000 0.330 677 I C -0.173 175.999 176.117 0.092 0.000 1.451 677 I CA -0.601 60.718 61.300 0.033 0.000 1.165 677 I CB -0.081 37.941 38.000 0.037 0.000 1.097 677 I HN -0.102 nan 8.210 nan 0.000 0.404 678 D N 5.037 125.521 120.400 0.140 0.000 2.479 678 D HA 0.011 4.652 4.640 0.002 0.000 0.257 678 D C -1.466 174.913 176.300 0.133 0.000 1.230 678 D CA -1.228 52.904 54.000 0.220 0.000 0.912 678 D CB 1.209 42.251 40.800 0.403 0.000 1.130 678 D HN 0.259 nan 8.370 nan 0.000 0.515 679 P HA 0.044 nan 4.420 nan 0.000 0.268 679 P C 0.860 178.201 177.300 0.067 0.000 1.329 679 P CA -0.059 63.084 63.100 0.072 0.000 0.899 679 P CB 0.781 32.551 31.700 0.116 0.000 1.378 680 V N -0.804 119.116 119.914 0.010 0.000 2.599 680 V HA 0.099 4.220 4.120 0.002 0.000 0.237 680 V C 1.042 177.087 176.094 -0.081 0.000 1.081 680 V CA 0.740 63.007 62.300 -0.056 0.000 1.107 680 V CB 0.085 31.711 31.823 -0.328 0.000 0.808 680 V HN -0.216 nan 8.190 nan 0.000 0.486 681 V N 3.573 123.424 119.914 -0.105 0.000 2.293 681 V HA 0.354 4.475 4.120 0.002 0.000 0.275 681 V C -0.139 176.085 176.094 0.216 0.000 1.021 681 V CA -0.720 61.597 62.300 0.029 0.000 0.815 681 V CB 1.287 33.106 31.823 -0.006 0.000 1.025 681 V HN 0.333 nan 8.190 nan 0.000 0.448 682 V N 2.430 122.395 119.914 0.084 0.000 2.843 682 V HA 0.136 4.257 4.120 0.002 0.000 0.305 682 V C 1.203 177.383 176.094 0.143 0.000 1.065 682 V CA -0.080 62.252 62.300 0.055 0.000 1.116 682 V CB 0.487 32.210 31.823 -0.167 0.000 0.968 682 V HN 0.930 nan 8.190 nan 0.000 0.487 683 W N 1.946 123.087 121.300 -0.265 0.000 2.331 683 W HA -0.184 4.477 4.660 0.002 0.000 0.291 683 W C 2.439 178.760 176.519 -0.330 0.000 1.214 683 W CA 1.934 58.903 57.345 -0.627 0.000 1.228 683 W CB -0.521 28.773 29.460 -0.277 0.000 1.135 683 W HN 0.972 nan 8.180 nan 0.000 0.537 684 Q N -1.030 118.726 119.800 -0.074 0.000 2.197 684 Q HA -0.309 4.032 4.340 0.002 0.000 0.211 684 Q C 2.254 178.186 176.000 -0.114 0.000 0.993 684 Q CA 2.164 57.862 55.803 -0.175 0.000 0.883 684 Q CB -0.665 27.960 28.738 -0.188 0.000 0.916 684 Q HN 0.403 nan 8.270 nan 0.000 0.418 685 H N -0.532 118.522 119.070 -0.026 0.000 2.290 685 H HA -0.114 4.443 4.556 0.002 0.000 0.298 685 H C 2.538 177.918 175.328 0.085 0.000 1.087 685 H CA 1.970 58.039 56.048 0.035 0.000 1.291 685 H CB -0.159 29.648 29.762 0.075 0.000 1.369 685 H HN 0.484 nan 8.280 nan 0.000 0.492 686 S N 0.623 116.509 115.700 0.310 0.000 2.395 686 S HA -0.036 4.435 4.470 0.002 0.000 0.225 686 S C 2.375 177.030 174.600 0.091 0.000 1.027 686 S CA 0.340 58.727 58.200 0.312 0.000 0.965 686 S CB -0.651 62.930 63.200 0.635 0.000 0.812 686 S HN 0.201 nan 8.310 nan 0.000 0.482 687 L N 0.974 122.172 121.223 -0.041 0.000 2.017 687 L HA -0.037 4.304 4.340 0.002 0.000 0.208 687 L C 2.646 179.404 176.870 -0.187 0.000 1.073 687 L CA 1.301 55.992 54.840 -0.248 0.000 0.745 687 L CB -0.685 41.116 42.059 -0.429 0.000 0.894 687 L HN 0.295 nan 8.230 nan 0.000 0.432 688 L N -1.526 119.627 121.223 -0.117 0.000 2.131 688 L HA -0.242 4.099 4.340 0.002 0.000 0.210 688 L C 2.530 179.375 176.870 -0.042 0.000 1.092 688 L CA 1.082 55.867 54.840 -0.092 0.000 0.759 688 L CB -0.478 41.533 42.059 -0.080 0.000 0.903 688 L HN 0.191 nan 8.230 nan 0.000 0.435 689 F N 0.548 120.433 119.950 -0.108 0.000 2.146 689 F HA -0.200 4.328 4.527 0.002 0.000 0.298 689 F C 2.231 177.943 175.800 -0.145 0.000 1.096 689 F CA 1.390 59.333 58.000 -0.094 0.000 1.275 689 F CB -0.092 38.878 39.000 -0.051 0.000 1.008 689 F HN -0.127 nan 8.300 nan 0.000 0.480 690 L N -0.189 120.936 121.223 -0.163 0.000 2.083 690 L HA -0.239 4.102 4.340 0.002 0.000 0.209 690 L C 2.081 178.765 176.870 -0.310 0.000 1.083 690 L CA 2.088 56.750 54.840 -0.296 0.000 0.752 690 L CB -0.970 40.865 42.059 -0.374 0.000 0.899 690 L HN 0.175 nan 8.230 nan 0.000 0.433 691 D N -0.035 120.211 120.400 -0.258 0.000 2.117 691 D HA -0.163 4.478 4.640 0.002 0.000 0.197 691 D C 2.183 178.337 176.300 -0.243 0.000 0.987 691 D CA 1.305 55.171 54.000 -0.223 0.000 0.829 691 D CB 0.190 40.881 40.800 -0.182 0.000 0.961 691 D HN 0.259 nan 8.370 nan 0.000 0.460 692 A N -0.461 122.190 122.820 -0.281 0.000 1.933 692 A HA -0.179 4.142 4.320 0.002 0.000 0.218 692 A C 2.478 179.838 177.584 -0.373 0.000 1.175 692 A CA 1.392 53.251 52.037 -0.297 0.000 0.628 692 A CB -0.965 17.857 19.000 -0.297 0.000 0.814 692 A HN 0.495 nan 8.150 nan 0.000 0.444 693 C N -1.314 117.677 119.300 -0.515 0.000 2.440 693 C HA -0.029 4.432 4.460 0.002 0.000 0.278 693 C C 2.732 177.477 174.990 -0.408 0.000 1.295 693 C CA 0.886 59.602 59.018 -0.503 0.000 1.738 693 C CB -1.203 26.198 27.740 -0.565 0.000 1.987 693 C HN 0.470 nan 8.230 nan 0.000 0.492 694 V N 1.380 121.091 119.914 -0.339 0.000 2.231 694 V HA -0.304 3.817 4.120 0.002 0.000 0.248 694 V C 2.511 178.472 176.094 -0.221 0.000 1.054 694 V CA 2.413 64.552 62.300 -0.269 0.000 1.015 694 V CB -0.735 30.971 31.823 -0.195 0.000 0.638 694 V HN 0.587 nan 8.190 nan 0.000 0.444 695 K N 0.304 120.589 120.400 -0.193 0.000 2.057 695 K HA -0.151 4.170 4.320 0.002 0.000 0.207 695 K C 1.957 178.469 176.600 -0.147 0.000 1.049 695 K CA 1.617 57.816 56.287 -0.147 0.000 0.931 695 K CB -0.321 32.102 32.500 -0.128 0.000 0.714 695 K HN 0.452 nan 8.250 nan 0.000 0.440 696 A N 0.896 123.604 122.820 -0.187 0.000 2.206 696 A HA 0.023 4.344 4.320 0.002 0.000 0.211 696 A C -0.025 177.457 177.584 -0.171 0.000 1.158 696 A CA 0.244 52.182 52.037 -0.164 0.000 0.761 696 A CB -0.112 18.778 19.000 -0.184 0.000 0.801 696 A HN 0.382 nan 8.150 nan 0.000 0.473 697 R N 0.142 120.501 120.500 -0.235 0.000 3.267 697 R HA -0.133 4.208 4.340 0.002 0.000 0.254 697 R C -0.119 175.937 176.300 -0.407 0.000 0.993 697 R CA 1.240 57.170 56.100 -0.285 0.000 0.670 697 R CB -3.048 27.216 30.300 -0.060 0.000 1.125 697 R HN 0.805 nan 8.270 nan 0.000 0.434 698 T N -3.404 110.793 114.554 -0.595 0.000 2.926 698 T HA 0.733 5.084 4.350 0.002 0.000 0.289 698 T C -0.316 173.923 174.700 -0.769 0.000 1.054 698 T CA -0.734 61.074 62.100 -0.486 0.000 1.015 698 T CB 1.807 70.560 68.868 -0.191 0.000 1.167 698 T HN 0.194 nan 8.240 nan 0.000 0.526 699 Y N 1.214 121.497 120.300 -0.027 0.000 2.584 699 Y HA 0.395 4.946 4.550 0.002 0.000 0.358 699 Y C -2.305 173.610 175.900 0.026 0.000 1.028 699 Y CA -1.944 56.150 58.100 -0.010 0.000 1.148 699 Y CB 0.792 39.251 38.460 -0.002 0.000 1.126 699 Y HN 0.545 nan 8.280 nan 0.000 0.658 700 P HA 0.223 nan 4.420 nan 0.000 0.276 700 P C -0.477 176.910 177.300 0.144 0.000 1.261 700 P CA -0.139 63.043 63.100 0.137 0.000 0.800 700 P CB 1.860 33.654 31.700 0.156 0.000 1.066 701 D N -1.099 119.393 120.400 0.154 0.000 2.449 701 D HA 0.437 5.078 4.640 0.002 0.000 0.250 701 D C -1.014 175.420 176.300 0.224 0.000 1.050 701 D CA 0.189 54.294 54.000 0.175 0.000 1.024 701 D CB 1.251 42.172 40.800 0.203 0.000 1.218 701 D HN 0.296 nan 8.370 nan 0.000 0.566 702 Y N -0.110 120.223 120.300 0.055 0.000 2.581 702 Y HA 0.408 4.959 4.550 0.002 0.000 0.337 702 Y C -1.943 174.039 175.900 0.137 0.000 1.108 702 Y CA -0.964 57.182 58.100 0.077 0.000 1.033 702 Y CB 1.333 39.838 38.460 0.075 0.000 1.318 702 Y HN 0.357 nan 8.280 nan 0.000 0.459 703 Y N 2.895 123.019 120.300 -0.293 0.000 2.513 703 Y HA 0.736 5.287 4.550 0.002 0.000 0.340 703 Y C -1.772 173.821 175.900 -0.511 0.000 1.055 703 Y CA -0.877 57.033 58.100 -0.317 0.000 1.020 703 Y CB 1.852 40.234 38.460 -0.130 0.000 1.301 703 Y HN 0.417 nan 8.280 nan 0.000 0.453 704 V N 5.237 124.706 119.914 -0.740 0.000 2.656 704 V HA 0.313 4.434 4.120 0.002 0.000 0.307 704 V C -1.468 174.391 176.094 -0.393 0.000 1.051 704 V CA -0.950 61.086 62.300 -0.440 0.000 0.893 704 V CB 1.743 33.331 31.823 -0.392 0.000 0.999 704 V HN 0.628 nan 8.190 nan 0.000 0.426 705 Y N 5.427 125.705 120.300 -0.035 0.000 2.595 705 Y HA 0.332 4.883 4.550 0.002 0.000 0.336 705 Y C -1.738 174.140 175.900 -0.037 0.000 0.996 705 Y CA -2.143 56.003 58.100 0.075 0.000 1.260 705 Y CB 1.265 39.836 38.460 0.185 0.000 1.108 705 Y HN 0.518 nan 8.280 nan 0.000 0.509 706 P HA -0.101 nan 4.420 nan 0.000 0.225 706 P C 0.921 178.228 177.300 0.011 0.000 1.148 706 P CA 1.373 64.400 63.100 -0.122 0.000 0.779 706 P CB 0.468 32.062 31.700 -0.178 0.000 0.780 707 S N -2.658 113.105 115.700 0.106 0.000 2.556 707 S HA 0.074 4.545 4.470 0.002 0.000 0.216 707 S C 0.554 175.055 174.600 -0.165 0.000 0.970 707 S CA -0.023 58.206 58.200 0.049 0.000 0.912 707 S CB -0.399 62.836 63.200 0.057 0.000 0.790 707 S HN 0.254 nan 8.310 nan 0.000 0.504 708 H N 1.379 120.510 119.070 0.103 0.000 2.499 708 H HA 0.401 4.958 4.556 0.002 0.000 0.340 708 H C 0.408 175.783 175.328 0.078 0.000 1.148 708 H CA -0.327 55.767 56.048 0.078 0.000 1.215 708 H CB 1.229 31.027 29.762 0.060 0.000 1.529 708 H HN 0.246 nan 8.280 nan 0.000 0.510 709 E N 0.308 120.626 120.200 0.197 0.000 3.523 709 E HA -0.044 4.307 4.350 0.002 0.000 0.526 709 E C 1.022 177.789 176.600 0.279 0.000 0.298 709 E CA -0.389 56.129 56.400 0.197 0.000 3.069 709 E CB 0.424 30.219 29.700 0.158 0.000 2.322 709 E HN 0.536 nan 8.360 nan 0.000 0.415 710 H N 0.225 119.397 119.070 0.171 0.000 2.357 710 H HA 0.088 4.645 4.556 0.002 0.000 0.301 710 H C 0.053 175.552 175.328 0.284 0.000 1.082 710 H CA 1.142 57.326 56.048 0.226 0.000 1.342 710 H CB 0.191 30.073 29.762 0.201 0.000 1.389 710 H HN 0.054 nan 8.280 nan 0.000 0.511 711 N N -0.248 118.479 118.700 0.045 0.000 2.335 711 N HA 0.203 4.944 4.740 0.002 0.000 0.304 711 N C -1.231 174.129 175.510 -0.251 0.000 1.135 711 N CA -0.535 52.344 53.050 -0.284 0.000 0.817 711 N CB 2.735 40.999 38.487 -0.371 0.000 1.294 711 N HN -0.127 nan 8.380 nan 0.000 0.497 712 V N 3.337 122.934 119.914 -0.528 0.000 2.408 712 V HA 0.281 4.402 4.120 0.002 0.000 0.267 712 V C 0.416 176.228 176.094 -0.470 0.000 1.047 712 V CA -0.053 61.829 62.300 -0.697 0.000 0.937 712 V CB 0.396 31.612 31.823 -1.013 0.000 0.999 712 V HN 0.503 nan 8.190 nan 0.000 0.472 713 M N 3.456 122.914 119.600 -0.237 0.000 2.578 713 M HA 0.725 5.206 4.480 0.002 0.000 0.321 713 M C 0.697 176.962 176.300 -0.059 0.000 1.182 713 M CA 0.110 55.342 55.300 -0.113 0.000 0.965 713 M CB 1.458 34.053 32.600 -0.008 0.000 1.694 713 M HN 0.878 nan 8.290 nan 0.000 0.461 714 G N 2.754 111.498 108.800 -0.092 0.000 2.632 714 G HA2 -0.163 3.798 3.960 0.002 0.000 0.224 714 G HA3 -0.163 3.798 3.960 0.002 0.000 0.224 714 G C -2.409 172.435 174.900 -0.093 0.000 1.341 714 G CA -0.677 44.383 45.100 -0.066 0.000 0.880 714 G HN 0.477 nan 8.290 nan 0.000 0.566 715 P HA 0.009 nan 4.420 nan 0.000 0.217 715 P C 1.198 178.466 177.300 -0.054 0.000 1.148 715 P CA 1.699 64.763 63.100 -0.059 0.000 0.828 715 P CB -0.079 31.607 31.700 -0.024 0.000 0.783 716 D N -1.281 119.105 120.400 -0.024 0.000 2.311 716 D HA -0.145 4.496 4.640 0.002 0.000 0.212 716 D C 1.897 178.118 176.300 -0.131 0.000 0.972 716 D CA 0.701 54.692 54.000 -0.016 0.000 0.887 716 D CB -0.433 40.390 40.800 0.038 0.000 0.915 716 D HN 0.173 nan 8.370 nan 0.000 0.497 717 R N 0.316 120.672 120.500 -0.240 0.000 2.193 717 R HA -0.077 4.264 4.340 0.002 0.000 0.229 717 R C 1.840 177.928 176.300 -0.352 0.000 1.110 717 R CA 0.467 56.349 56.100 -0.363 0.000 0.988 717 R CB 0.025 30.054 30.300 -0.452 0.000 0.871 717 R HN 0.014 nan 8.270 nan 0.000 0.458 718 V N 0.169 119.946 119.914 -0.228 0.000 2.343 718 V HA -0.286 3.835 4.120 0.002 0.000 0.247 718 V C 2.380 178.478 176.094 0.006 0.000 1.051 718 V CA 2.089 64.301 62.300 -0.146 0.000 1.036 718 V CB -0.763 31.003 31.823 -0.095 0.000 0.654 718 V HN 0.517 nan 8.190 nan 0.000 0.451 719 H N -0.224 118.836 119.070 -0.016 0.000 2.353 719 H HA -0.164 4.393 4.556 0.002 0.000 0.300 719 H C 2.253 177.638 175.328 0.095 0.000 1.090 719 H CA 2.273 58.354 56.048 0.055 0.000 1.327 719 H CB -0.035 29.793 29.762 0.108 0.000 1.383 719 H HN 0.341 nan 8.280 nan 0.000 0.508 720 L N 0.549 121.891 121.223 0.198 0.000 1.989 720 L HA -0.235 4.106 4.340 0.002 0.000 0.211 720 L C 2.279 179.308 176.870 0.265 0.000 1.071 720 L CA 1.689 56.632 54.840 0.171 0.000 0.749 720 L CB -1.196 40.814 42.059 -0.082 0.000 0.890 720 L HN 0.157 nan 8.230 nan 0.000 0.431 721 Y N 0.575 120.906 120.300 0.051 0.000 2.165 721 Y HA -0.207 4.345 4.550 0.002 0.000 0.286 721 Y C 2.694 178.757 175.900 0.272 0.000 1.155 721 Y CA 1.419 59.649 58.100 0.216 0.000 1.164 721 Y CB -0.742 37.840 38.460 0.203 0.000 0.978 721 Y HN 0.349 nan 8.280 nan 0.000 0.513 722 E N -0.841 119.533 120.200 0.290 0.000 2.072 722 E HA -0.132 4.219 4.350 0.002 0.000 0.191 722 E C 2.152 178.800 176.600 0.079 0.000 0.985 722 E CA 1.609 58.126 56.400 0.195 0.000 0.801 722 E CB -0.579 29.152 29.700 0.052 0.000 0.750 722 E HN 0.417 nan 8.360 nan 0.000 0.452 723 T N 1.898 116.423 114.554 -0.047 0.000 2.708 723 T HA -0.111 4.240 4.350 0.002 0.000 0.266 723 T C 2.159 176.893 174.700 0.057 0.000 1.037 723 T CA 1.030 63.085 62.100 -0.076 0.000 1.146 723 T CB -0.220 68.523 68.868 -0.207 0.000 0.865 723 T HN 0.094 nan 8.240 nan 0.000 0.435 724 I N 0.955 121.589 120.570 0.108 0.000 2.202 724 I HA -0.169 4.002 4.170 0.002 0.000 0.242 724 I C 2.764 179.058 176.117 0.295 0.000 1.091 724 I CA 1.144 62.509 61.300 0.109 0.000 1.368 724 I CB -0.676 37.309 38.000 -0.025 0.000 1.058 724 I HN 0.226 nan 8.210 nan 0.000 0.410 725 T N 0.215 114.985 114.554 0.359 0.000 2.746 725 T HA -0.228 4.123 4.350 0.002 0.000 0.267 725 T C 2.025 176.800 174.700 0.124 0.000 1.039 725 T CA 1.406 63.658 62.100 0.253 0.000 1.142 725 T CB -0.292 68.628 68.868 0.087 0.000 0.866 725 T HN 0.296 nan 8.240 nan 0.000 0.444 726 R N -0.613 119.952 120.500 0.109 0.000 2.148 726 R HA -0.072 4.269 4.340 0.002 0.000 0.227 726 R C 2.206 178.534 176.300 0.048 0.000 1.103 726 R CA 0.875 57.006 56.100 0.052 0.000 0.983 726 R CB -0.345 29.982 30.300 0.045 0.000 0.874 726 R HN 0.418 nan 8.270 nan 0.000 0.451 727 Y N 0.252 120.529 120.300 -0.037 0.000 2.145 727 Y HA -0.222 4.329 4.550 0.002 0.000 0.286 727 Y C 1.526 177.375 175.900 -0.086 0.000 1.145 727 Y CA 1.843 59.904 58.100 -0.065 0.000 1.148 727 Y CB -0.340 38.019 38.460 -0.170 0.000 0.981 727 Y HN -0.014 nan 8.280 nan 0.000 0.507 728 F N -0.420 119.581 119.950 0.084 0.000 2.146 728 F HA -0.184 4.344 4.527 0.002 0.000 0.298 728 F C 2.767 178.458 175.800 -0.183 0.000 1.096 728 F CA 1.878 59.835 58.000 -0.071 0.000 1.275 728 F CB -1.315 37.565 39.000 -0.201 0.000 1.008 728 F HN 0.122 nan 8.300 nan 0.000 0.480 729 T N -3.041 111.493 114.554 -0.033 0.000 2.904 729 T HA -0.131 4.220 4.350 0.002 0.000 0.267 729 T C 1.554 176.249 174.700 -0.008 0.000 1.059 729 T CA 1.445 63.555 62.100 0.017 0.000 1.137 729 T CB -0.412 68.457 68.868 0.002 0.000 0.879 729 T HN 0.062 nan 8.240 nan 0.000 0.467 730 D N 0.824 121.127 120.400 -0.162 0.000 2.117 730 D HA -0.058 4.583 4.640 0.002 0.000 0.198 730 D C 2.038 178.096 176.300 -0.402 0.000 0.982 730 D CA 1.222 55.002 54.000 -0.368 0.000 0.828 730 D CB -0.197 40.173 40.800 -0.717 0.000 0.967 730 D HN 0.562 nan 8.370 nan 0.000 0.464 731 H N -1.243 117.751 119.070 -0.127 0.000 2.681 731 H HA 0.198 4.755 4.556 0.002 0.000 0.268 731 H C 0.870 176.216 175.328 0.030 0.000 0.967 731 H CA -0.299 55.676 56.048 -0.122 0.000 1.233 731 H CB 0.550 30.104 29.762 -0.346 0.000 1.445 731 H HN 0.094 nan 8.280 nan 0.000 0.494 732 L N 0.000 121.377 121.223 0.256 0.000 2.949 732 L HA 0.000 4.341 4.340 0.002 0.000 0.249 732 L CA 0.000 55.051 54.840 0.351 0.000 0.813 732 L CB 0.000 42.399 42.059 0.567 0.000 0.961 732 L HN 0.000 nan 8.230 nan 0.000 0.502