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 2gtq_1_A DATA FIRST_RESID 4 DATA SEQUENCE TVHYLKDYQT PAYHILKTDL HFDINEPQTV VKSRLTVEPQ RVGEPLVLDG DATA SEQUENCE SAKLLSVKIN GAAADYVLEG ETLTIAGVPS ERFTVEVETE ILPAENKSLX DATA SEQUENCE GLYASGGNLF TQCEPEGFRK ITFYIDRPDV XSKFTTTIVA DKKRYPVLLS DATA SEQUENCE NGNKIDGGEF SDGRHWVKWE DPFSKPSYLF ALVAGDLAVT EDYFTTXSGR DATA SEQUENCE NVKIEFYTTE ADKPKVGFAV ESLKNAXKWD ETRFGLEYDL DIFXVVAVGD DATA SEQUENCE FNXGAXENKG LNIFNTKFVL ADSRTATDTD FEGIESVVGH EYFHNWTGNR DATA SEQUENCE VTCRDWFQLS LKEGLTVFRD QEFSGDRASR AVRRIENIRL LRQHQFPEDA DATA SEQUENCE GPTAHPVRPA SYEEXNNFYT XTVYEKGAEV VRXYHTLLGE EGFQKGXKLY DATA SEQUENCE FQRHDGQAVT CDDFRAAXAD ANGINLDQFA LWYSQAGTPV LEAEGRLKNN DATA SEQUENCE IFELTVKQTV PPTPDXTDKQ PXXIPVKVGL LNRNGEAVAF DYQGKRATEA DATA SEQUENCE VLLLTEAEQT FLLEGVTEAV VPSLLRGFSA PVHLNYPYSD DDLLLLLAHD DATA SEQUENCE SDAFTRWEAA QTLYRRAVAA NLATLSDGVE LPKHEKLLAA VEKVISDDLL DATA SEQUENCE DNAFKALLLG VPSEAELWDG AENIDPLRYH QAREALLDTL AVHFLPKWHE DATA SEQUENCE LNRQAAKQEN QSYEYSPEAA GWRTLRNVCR AFVLRADPAH IETVAEKYGE DATA SEQUENCE XAQNXTHEWG ILSAVNGNES DTRNRLLAQF ADKFSDDALV XDKYFALVGS DATA SEQUENCE SRRSDTLQQV RTALQHPKFS LENPNKARSL IGSFSRNVPH FHAEDGSGYR DATA SEQUENCE FIADKVIEID RFNPQVAARL VQAFNLCNKL EPHRKNLVKQ ALQRIRAQEG DATA SEQUENCE LSKDVGEIVG KILD 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.613 174.700 -0.146 0.000 1.109 4 T CA 0.000 62.053 62.100 -0.077 0.000 1.349 4 T CB 0.000 68.816 68.868 -0.086 0.000 0.612 5 V N 4.271 124.039 119.914 -0.243 0.000 2.735 5 V HA 0.671 4.794 4.120 0.004 0.000 0.310 5 V C -0.655 175.073 176.094 -0.609 0.000 1.061 5 V CA -1.087 60.989 62.300 -0.372 0.000 0.913 5 V CB 1.882 33.477 31.823 -0.380 0.000 1.005 5 V HN 0.935 nan 8.190 nan 0.000 0.428 6 H N 3.073 121.840 119.070 -0.505 0.000 2.457 6 H HA 0.527 5.085 4.556 0.004 0.000 0.335 6 H C -1.568 173.523 175.328 -0.395 0.000 1.115 6 H CA -0.224 55.596 56.048 -0.382 0.000 1.219 6 H CB 1.720 31.134 29.762 -0.579 0.000 1.471 6 H HN 0.564 nan 8.280 nan 0.000 0.491 7 Y N 1.583 121.940 120.300 0.095 0.000 2.376 7 Y HA 0.009 4.562 4.550 0.004 0.000 0.340 7 Y C 0.994 176.637 175.900 -0.428 0.000 0.965 7 Y CA -0.820 57.206 58.100 -0.122 0.000 1.078 7 Y CB 1.817 40.222 38.460 -0.090 0.000 1.193 7 Y HN 0.441 nan 8.280 nan 0.000 0.452 8 L N 3.746 124.427 121.223 -0.904 0.000 2.046 8 L HA -0.184 4.159 4.340 0.004 0.000 0.208 8 L C 2.212 178.907 176.870 -0.291 0.000 1.077 8 L CA 1.968 56.169 54.840 -1.065 0.000 0.747 8 L CB -0.540 40.903 42.059 -1.027 0.000 0.896 8 L HN 0.770 nan 8.230 nan 0.000 0.432 9 K N -1.694 118.617 120.400 -0.149 0.000 2.360 9 K HA -0.171 4.152 4.320 0.004 0.000 0.201 9 K C 0.746 177.349 176.600 0.005 0.000 1.046 9 K CA 1.645 57.904 56.287 -0.048 0.000 0.940 9 K CB -0.465 32.005 32.500 -0.051 0.000 0.748 9 K HN 0.311 nan 8.250 nan 0.000 0.465 10 D N 0.171 120.593 120.400 0.037 0.000 2.339 10 D HA -0.032 4.610 4.640 0.004 0.000 0.217 10 D C -0.235 176.118 176.300 0.088 0.000 1.050 10 D CA -0.088 53.950 54.000 0.064 0.000 0.856 10 D CB -0.295 40.565 40.800 0.099 0.000 0.922 10 D HN 0.252 nan 8.370 nan 0.000 0.518 11 Y N 2.413 122.730 120.300 0.028 0.000 2.811 11 Y HA -0.025 4.528 4.550 0.004 0.000 0.334 11 Y C 0.303 176.236 175.900 0.055 0.000 1.247 11 Y CA 0.540 58.680 58.100 0.066 0.000 1.526 11 Y CB 0.358 38.850 38.460 0.054 0.000 1.284 11 Y HN -0.141 nan 8.280 nan 0.000 0.586 12 Q N 4.580 123.821 119.800 -0.930 0.000 2.309 12 Q HA 0.298 4.641 4.340 0.004 0.000 0.273 12 Q C -0.979 174.535 176.000 -0.810 0.000 1.040 12 Q CA -0.815 54.617 55.803 -0.619 0.000 0.834 12 Q CB 1.583 30.172 28.738 -0.249 0.000 1.345 12 Q HN 0.831 nan 8.270 nan 0.000 0.414 13 T N 1.487 115.811 114.554 -0.383 0.000 2.906 13 T HA 0.275 4.628 4.350 0.004 0.000 0.320 13 T C -2.096 172.548 174.700 -0.092 0.000 1.088 13 T CA -0.851 61.179 62.100 -0.117 0.000 1.120 13 T CB 0.196 69.093 68.868 0.048 0.000 1.000 13 T HN 0.427 nan 8.240 nan 0.000 0.550 14 P HA 0.308 nan 4.420 nan 0.000 0.274 14 P C 0.519 177.799 177.300 -0.033 0.000 1.231 14 P CA -0.570 62.554 63.100 0.039 0.000 0.790 14 P CB 0.789 32.582 31.700 0.155 0.000 0.951 15 A N 2.020 124.808 122.820 -0.053 0.000 2.014 15 A HA -0.039 4.283 4.320 0.004 0.000 0.218 15 A C 0.317 177.571 177.584 -0.550 0.000 1.163 15 A CA 1.285 53.165 52.037 -0.263 0.000 0.652 15 A CB -0.823 18.067 19.000 -0.183 0.000 0.808 15 A HN 0.594 nan 8.150 nan 0.000 0.449 16 Y N -1.732 118.589 120.300 0.034 0.000 2.499 16 Y HA 0.534 5.087 4.550 0.004 0.000 0.347 16 Y C 0.131 176.118 175.900 0.144 0.000 0.987 16 Y CA -0.832 57.294 58.100 0.043 0.000 1.044 16 Y CB 1.362 39.850 38.460 0.046 0.000 1.245 16 Y HN 0.223 nan 8.280 nan 0.000 0.461 17 H N 2.332 121.459 119.070 0.095 0.000 2.529 17 H HA 0.600 5.159 4.556 0.004 0.000 0.348 17 H C -1.048 174.258 175.328 -0.037 0.000 1.152 17 H CA -0.968 55.093 56.048 0.021 0.000 1.202 17 H CB 1.978 31.744 29.762 0.008 0.000 1.562 17 H HN 0.442 nan 8.280 nan 0.000 0.515 18 I N 4.024 124.590 120.570 -0.007 0.000 2.355 18 I HA 0.039 4.212 4.170 0.004 0.000 0.288 18 I C 0.686 176.760 176.117 -0.072 0.000 0.999 18 I CA -0.156 61.081 61.300 -0.103 0.000 1.163 18 I CB 1.655 39.522 38.000 -0.223 0.000 1.316 18 I HN 0.489 nan 8.210 nan 0.000 0.454 19 L N 4.141 125.325 121.223 -0.066 0.000 2.168 19 L HA 0.163 4.506 4.340 0.004 0.000 0.203 19 L C 0.674 177.513 176.870 -0.051 0.000 1.078 19 L CA 0.865 55.681 54.840 -0.040 0.000 0.780 19 L CB -0.162 41.881 42.059 -0.027 0.000 0.939 19 L HN 0.452 nan 8.230 nan 0.000 0.451 20 K N -0.201 120.151 120.400 -0.080 0.000 2.468 20 K HA 0.381 4.704 4.320 0.004 0.000 0.252 20 K C -1.291 175.223 176.600 -0.142 0.000 0.932 20 K CA -0.180 56.056 56.287 -0.086 0.000 0.794 20 K CB 2.028 34.497 32.500 -0.051 0.000 1.241 20 K HN -0.265 nan 8.250 nan 0.000 0.428 21 T N 3.504 117.915 114.554 -0.237 0.000 2.864 21 T HA 0.376 4.729 4.350 0.004 0.000 0.299 21 T C -1.488 173.108 174.700 -0.174 0.000 1.011 21 T CA -0.827 61.084 62.100 -0.315 0.000 0.975 21 T CB 0.519 68.857 68.868 -0.883 0.000 0.962 21 T HN 0.405 nan 8.240 nan 0.000 0.448 22 D N 3.627 123.996 120.400 -0.051 0.000 2.303 22 D HA 0.434 5.076 4.640 0.004 0.000 0.236 22 D C -0.321 176.018 176.300 0.065 0.000 1.068 22 D CA -0.333 53.691 54.000 0.040 0.000 0.830 22 D CB 1.979 42.804 40.800 0.042 0.000 1.109 22 D HN 0.359 nan 8.370 nan 0.000 0.496 23 L N 2.103 123.416 121.223 0.150 0.000 2.346 23 L HA 0.319 4.661 4.340 0.004 0.000 0.276 23 L C -0.171 176.824 176.870 0.209 0.000 1.006 23 L CA -0.781 54.140 54.840 0.135 0.000 0.817 23 L CB 2.388 44.598 42.059 0.252 0.000 1.272 23 L HN 0.341 nan 8.230 nan 0.000 0.421 24 H N 3.602 122.654 119.070 -0.031 0.000 2.589 24 H HA 0.421 4.979 4.556 0.004 0.000 0.335 24 H C -1.775 173.500 175.328 -0.087 0.000 1.019 24 H CA -0.526 55.546 56.048 0.039 0.000 1.213 24 H CB 1.408 31.171 29.762 0.003 0.000 1.472 24 H HN 0.368 nan 8.280 nan 0.000 0.508 25 F N 3.343 123.189 119.950 -0.173 0.000 2.411 25 F HA 0.132 4.662 4.527 0.004 0.000 0.352 25 F C 0.195 175.927 175.800 -0.113 0.000 1.123 25 F CA -0.735 57.223 58.000 -0.070 0.000 1.044 25 F CB 1.403 40.376 39.000 -0.046 0.000 1.135 25 F HN 0.507 nan 8.300 nan 0.000 0.461 26 D N 4.827 125.324 120.400 0.160 0.000 2.460 26 D HA 0.394 5.037 4.640 0.004 0.000 0.232 26 D C -0.628 175.741 176.300 0.115 0.000 1.079 26 D CA -0.155 53.939 54.000 0.156 0.000 0.864 26 D CB 0.663 41.591 40.800 0.213 0.000 1.048 26 D HN 0.313 nan 8.370 nan 0.000 0.523 27 I N 3.949 124.566 120.570 0.078 0.000 2.342 27 I HA 0.319 4.492 4.170 0.004 0.000 0.291 27 I C 0.433 176.597 176.117 0.079 0.000 1.010 27 I CA -0.512 60.798 61.300 0.018 0.000 1.308 27 I CB 0.676 38.568 38.000 -0.181 0.000 1.400 27 I HN 0.294 nan 8.210 nan 0.000 0.488 28 N N 5.030 123.782 118.700 0.088 0.000 2.831 28 N HA 0.406 5.148 4.740 0.004 0.000 0.276 28 N C -1.167 174.415 175.510 0.120 0.000 1.416 28 N CA -0.829 52.290 53.050 0.115 0.000 0.799 28 N CB 1.692 40.232 38.487 0.089 0.000 1.554 28 N HN 0.397 nan 8.380 nan 0.000 0.541 29 E N 1.548 121.815 120.200 0.111 0.000 2.133 29 E HA 0.294 4.646 4.350 0.004 0.000 0.274 29 E C -1.560 175.080 176.600 0.068 0.000 0.930 29 E CA -1.382 55.075 56.400 0.094 0.000 0.770 29 E CB 1.747 31.500 29.700 0.087 0.000 1.104 29 E HN 0.424 nan 8.360 nan 0.000 0.403 30 P HA -0.014 nan 4.420 nan 0.000 0.257 30 P C 0.083 177.421 177.300 0.064 0.000 1.241 30 P CA 0.246 63.385 63.100 0.065 0.000 0.816 30 P CB 0.707 32.439 31.700 0.053 0.000 1.150 31 Q N 0.804 120.639 119.800 0.059 0.000 2.235 31 Q HA 0.303 4.646 4.340 0.004 0.000 0.250 31 Q C -1.133 174.900 176.000 0.056 0.000 0.909 31 Q CA 0.185 56.019 55.803 0.052 0.000 0.910 31 Q CB 0.937 29.701 28.738 0.043 0.000 1.223 31 Q HN -0.214 nan 8.270 nan 0.000 0.432 32 T N 2.460 117.047 114.554 0.055 0.000 2.794 32 T HA 0.468 4.821 4.350 0.004 0.000 0.280 32 T C -0.578 174.150 174.700 0.048 0.000 0.987 32 T CA -0.501 61.639 62.100 0.066 0.000 0.993 32 T CB 1.334 70.257 68.868 0.091 0.000 0.939 32 T HN 0.467 nan 8.240 nan 0.000 0.449 33 V N 4.321 124.260 119.914 0.042 0.000 2.384 33 V HA 0.424 4.546 4.120 0.004 0.000 0.287 33 V C -0.200 175.860 176.094 -0.057 0.000 1.020 33 V CA -0.675 61.626 62.300 0.002 0.000 0.850 33 V CB 1.672 33.507 31.823 0.019 0.000 0.987 33 V HN 0.702 nan 8.190 nan 0.000 0.436 34 V N 5.737 125.557 119.914 -0.156 0.000 2.398 34 V HA 0.478 4.601 4.120 0.004 0.000 0.286 34 V C -0.091 175.870 176.094 -0.222 0.000 1.026 34 V CA -0.881 61.205 62.300 -0.356 0.000 0.868 34 V CB 1.523 33.016 31.823 -0.550 0.000 0.982 34 V HN 0.811 nan 8.190 nan 0.000 0.443 35 K N 3.209 123.504 120.400 -0.176 0.000 2.358 35 K HA 0.593 4.916 4.320 0.004 0.000 0.260 35 K C -0.138 176.406 176.600 -0.094 0.000 0.956 35 K CA -0.261 55.962 56.287 -0.107 0.000 0.834 35 K CB 1.888 34.335 32.500 -0.088 0.000 1.102 35 K HN 0.828 nan 8.250 nan 0.000 0.431 36 S N 2.771 118.423 115.700 -0.080 0.000 2.651 36 S HA 0.526 4.998 4.470 0.004 0.000 0.291 36 S C -0.360 174.226 174.600 -0.023 0.000 1.141 36 S CA -0.964 57.212 58.200 -0.041 0.000 1.027 36 S CB 1.762 64.955 63.200 -0.013 0.000 1.043 36 S HN 0.630 nan 8.310 nan 0.000 0.530 37 R N 1.611 122.104 120.500 -0.012 0.000 2.500 37 R HA 0.468 4.811 4.340 0.004 0.000 0.299 37 R C -1.535 174.747 176.300 -0.029 0.000 1.038 37 R CA -0.456 55.632 56.100 -0.019 0.000 0.903 37 R CB 0.796 31.086 30.300 -0.017 0.000 1.177 37 R HN 0.755 nan 8.270 nan 0.000 0.455 38 L N 3.395 124.594 121.223 -0.039 0.000 2.282 38 L HA 0.434 4.777 4.340 0.004 0.000 0.288 38 L C -0.067 176.723 176.870 -0.132 0.000 1.033 38 L CA -0.697 54.097 54.840 -0.077 0.000 0.807 38 L CB 2.023 44.034 42.059 -0.080 0.000 1.209 38 L HN 0.543 nan 8.230 nan 0.000 0.423 39 T N 3.086 117.554 114.554 -0.143 0.000 2.738 39 T HA 0.391 4.743 4.350 0.004 0.000 0.298 39 T C 0.016 174.571 174.700 -0.243 0.000 0.962 39 T CA -0.313 61.684 62.100 -0.172 0.000 0.972 39 T CB 1.052 69.859 68.868 -0.102 0.000 0.928 39 T HN 0.197 nan 8.240 nan 0.000 0.474 40 V N 3.794 123.441 119.914 -0.445 0.000 2.435 40 V HA 0.454 4.577 4.120 0.004 0.000 0.290 40 V C 0.188 176.043 176.094 -0.399 0.000 1.030 40 V CA -0.855 61.122 62.300 -0.538 0.000 0.881 40 V CB 1.787 32.974 31.823 -1.060 0.000 0.983 40 V HN 0.802 nan 8.190 nan 0.000 0.445 41 E N 5.729 125.869 120.200 -0.099 0.000 2.145 41 E HA 0.411 4.763 4.350 0.004 0.000 0.262 41 E C -2.734 173.939 176.600 0.122 0.000 0.883 41 E CA -2.252 54.161 56.400 0.022 0.000 0.748 41 E CB 2.227 31.947 29.700 0.034 0.000 1.140 41 E HN 0.428 nan 8.360 nan 0.000 0.417 42 P HA -0.036 nan 4.420 nan 0.000 0.264 42 P C -0.040 177.159 177.300 -0.168 0.000 1.193 42 P CA 0.160 63.279 63.100 0.031 0.000 0.763 42 P CB 0.853 32.661 31.700 0.179 0.000 0.810 43 Q N 2.502 122.083 119.800 -0.365 0.000 2.387 43 Q HA 0.121 4.464 4.340 0.004 0.000 0.212 43 Q C 0.382 176.226 176.000 -0.261 0.000 0.925 43 Q CA 1.027 56.640 55.803 -0.316 0.000 0.901 43 Q CB 0.465 28.965 28.738 -0.398 0.000 1.020 43 Q HN 0.469 nan 8.270 nan 0.000 0.545 44 R N 1.266 121.559 120.500 -0.344 0.000 2.363 44 R HA 0.388 4.731 4.340 0.004 0.000 0.297 44 R C -0.745 175.418 176.300 -0.228 0.000 1.208 44 R CA -0.306 55.653 56.100 -0.235 0.000 1.121 44 R CB 1.500 31.680 30.300 -0.200 0.000 1.124 44 R HN -0.089 nan 8.270 nan 0.000 0.561 45 V N 1.671 121.509 119.914 -0.126 0.000 2.814 45 V HA -0.015 4.108 4.120 0.004 0.000 0.307 45 V C 1.574 177.666 176.094 -0.003 0.000 1.089 45 V CA 1.814 64.091 62.300 -0.038 0.000 1.212 45 V CB 0.927 32.746 31.823 -0.007 0.000 0.912 45 V HN 1.118 nan 8.190 nan 0.000 0.497 46 G N 2.790 111.627 108.800 0.061 0.000 2.225 46 G HA2 -0.217 3.746 3.960 0.004 0.000 0.254 46 G HA3 -0.217 3.746 3.960 0.004 0.000 0.254 46 G C 0.161 175.110 174.900 0.080 0.000 0.988 46 G CA 0.231 45.364 45.100 0.056 0.000 0.625 46 G HN 0.689 nan 8.290 nan 0.000 0.527 47 E N 2.256 122.514 120.200 0.097 0.000 2.415 47 E HA 0.265 4.618 4.350 0.004 0.000 0.262 47 E C -1.933 174.820 176.600 0.255 0.000 1.038 47 E CA -1.002 55.480 56.400 0.137 0.000 0.921 47 E CB 0.744 30.492 29.700 0.082 0.000 0.950 47 E HN 0.289 nan 8.360 nan 0.000 0.438 48 P HA -0.004 nan 4.420 nan 0.000 0.271 48 P C -0.543 176.865 177.300 0.178 0.000 1.218 48 P CA -0.271 62.908 63.100 0.132 0.000 0.780 48 P CB 0.509 32.261 31.700 0.085 0.000 0.901 49 L N 4.147 125.368 121.223 -0.004 0.000 2.281 49 L HA 0.240 4.583 4.340 0.004 0.000 0.285 49 L C -0.717 176.153 176.870 0.000 0.000 1.074 49 L CA -0.150 54.606 54.840 -0.139 0.000 0.817 49 L CB 0.550 42.425 42.059 -0.306 0.000 1.168 49 L HN 0.070 nan 8.230 nan 0.000 0.434 50 V N 7.025 126.978 119.914 0.065 0.000 2.378 50 V HA 0.449 4.572 4.120 0.004 0.000 0.288 50 V C -0.083 176.076 176.094 0.108 0.000 1.016 50 V CA -0.570 61.788 62.300 0.098 0.000 0.840 50 V CB 1.354 33.252 31.823 0.124 0.000 0.994 50 V HN 0.590 nan 8.190 nan 0.000 0.431 51 L N 4.105 125.408 121.223 0.134 0.000 2.341 51 L HA 0.615 4.957 4.340 0.004 0.000 0.278 51 L C -0.453 176.585 176.870 0.279 0.000 1.005 51 L CA -0.689 54.267 54.840 0.194 0.000 0.818 51 L CB 2.078 44.265 42.059 0.213 0.000 1.259 51 L HN 0.547 nan 8.230 nan 0.000 0.418 52 D N 2.387 122.928 120.400 0.236 0.000 2.255 52 D HA 0.576 5.219 4.640 0.004 0.000 0.249 52 D C 0.098 176.389 176.300 -0.016 0.000 1.078 52 D CA 0.074 54.173 54.000 0.165 0.000 0.896 52 D CB 2.416 43.309 40.800 0.155 0.000 1.194 52 D HN 0.722 nan 8.370 nan 0.000 0.429 53 G N -0.886 107.766 108.800 -0.247 0.000 2.633 53 G HA2 0.309 4.272 3.960 0.004 0.000 0.299 53 G HA3 0.309 4.272 3.960 0.004 0.000 0.299 53 G C -0.134 174.339 174.900 -0.711 0.000 1.501 53 G CA -0.518 43.944 45.100 -1.063 0.000 0.887 53 G HN 0.342 nan 8.290 nan 0.000 0.561 54 S N -0.582 114.796 115.700 -0.537 0.000 2.733 54 S HA 0.625 5.098 4.470 0.004 0.000 0.247 54 S C 1.079 175.598 174.600 -0.135 0.000 1.043 54 S CA 0.870 58.946 58.200 -0.206 0.000 1.066 54 S CB 0.533 63.671 63.200 -0.103 0.000 1.045 54 S HN 1.809 nan 8.310 nan 0.000 0.586 55 A N 2.286 124.977 122.820 -0.215 0.000 2.366 55 A HA 0.511 4.833 4.320 0.004 0.000 0.249 55 A C 0.293 177.922 177.584 0.075 0.000 1.084 55 A CA -0.457 51.543 52.037 -0.062 0.000 0.794 55 A CB 0.146 19.092 19.000 -0.089 0.000 1.034 55 A HN 0.506 nan 8.150 nan 0.000 0.491 56 K N 0.506 120.949 120.400 0.072 0.000 2.447 56 K HA 0.188 4.511 4.320 0.004 0.000 0.281 56 K C -0.851 175.823 176.600 0.122 0.000 1.031 56 K CA -0.127 56.217 56.287 0.096 0.000 1.019 56 K CB 0.031 32.566 32.500 0.058 0.000 0.918 56 K HN 0.497 nan 8.250 nan 0.000 0.476 57 L N 6.409 127.713 121.223 0.134 0.000 2.275 57 L HA 0.214 4.557 4.340 0.004 0.000 0.288 57 L C 0.070 176.949 176.870 0.014 0.000 1.046 57 L CA 0.146 55.028 54.840 0.071 0.000 0.805 57 L CB 1.112 43.144 42.059 -0.045 0.000 1.193 57 L HN 0.834 nan 8.230 nan 0.000 0.426 58 L N 2.804 124.019 121.223 -0.013 0.000 2.467 58 L HA 0.368 4.711 4.340 0.004 0.000 0.213 58 L C 0.432 177.283 176.870 -0.031 0.000 1.053 58 L CA 0.477 55.309 54.840 -0.012 0.000 0.847 58 L CB 0.012 42.064 42.059 -0.012 0.000 1.075 58 L HN 0.772 nan 8.230 nan 0.000 0.479 59 S N -0.920 114.735 115.700 -0.075 0.000 2.547 59 S HA 0.582 5.055 4.470 0.004 0.000 0.270 59 S C -1.280 173.211 174.600 -0.182 0.000 1.150 59 S CA -0.687 57.459 58.200 -0.090 0.000 0.850 59 S CB 2.505 65.673 63.200 -0.053 0.000 1.118 59 S HN -0.104 nan 8.310 nan 0.000 0.461 60 V N 1.608 121.392 119.914 -0.217 0.000 2.686 60 V HA 0.795 4.917 4.120 0.004 0.000 0.306 60 V C -1.699 174.315 176.094 -0.132 0.000 1.065 60 V CA -0.428 61.713 62.300 -0.265 0.000 0.894 60 V CB 1.716 33.206 31.823 -0.554 0.000 1.004 60 V HN 1.081 nan 8.190 nan 0.000 0.424 61 K N 6.741 127.086 120.400 -0.091 0.000 2.375 61 K HA 0.676 4.998 4.320 0.004 0.000 0.249 61 K C -1.504 175.084 176.600 -0.020 0.000 0.942 61 K CA -0.882 55.380 56.287 -0.042 0.000 0.806 61 K CB 2.446 34.927 32.500 -0.032 0.000 1.227 61 K HN 0.509 nan 8.250 nan 0.000 0.430 62 I N 2.960 123.528 120.570 -0.004 0.000 2.406 62 I HA 0.159 4.332 4.170 0.004 0.000 0.290 62 I C -0.214 175.917 176.117 0.024 0.000 0.999 62 I CA -0.644 60.672 61.300 0.027 0.000 1.124 62 I CB 1.140 39.118 38.000 -0.036 0.000 1.289 62 I HN 0.680 nan 8.210 nan 0.000 0.441 63 N N 5.221 123.957 118.700 0.059 0.000 2.714 63 N HA -0.215 4.527 4.740 0.004 0.000 0.252 63 N C 1.165 176.682 175.510 0.012 0.000 1.014 63 N CA 1.256 54.330 53.050 0.040 0.000 0.735 63 N CB -1.025 37.486 38.487 0.039 0.000 0.924 63 N HN 1.126 nan 8.380 nan 0.000 0.540 64 G N -2.542 106.260 108.800 0.003 0.000 2.212 64 G HA2 -0.156 3.807 3.960 0.004 0.000 0.266 64 G HA3 -0.156 3.807 3.960 0.004 0.000 0.266 64 G C 0.193 175.086 174.900 -0.012 0.000 0.978 64 G CA 0.902 45.997 45.100 -0.009 0.000 0.632 64 G HN 1.256 nan 8.290 nan 0.000 0.537 65 A N -0.076 122.738 122.820 -0.009 0.000 2.337 65 A HA 0.969 5.291 4.320 0.004 0.000 0.329 65 A C 0.609 178.188 177.584 -0.008 0.000 1.146 65 A CA 0.669 52.700 52.037 -0.010 0.000 0.800 65 A CB 1.236 20.229 19.000 -0.012 0.000 1.220 65 A HN 2.068 nan 8.150 nan 0.000 0.472 66 A N 1.217 124.036 122.820 -0.002 0.000 2.567 66 A HA 0.480 4.803 4.320 0.004 0.000 0.240 66 A C 0.827 178.427 177.584 0.027 0.000 1.053 66 A CA 0.587 52.633 52.037 0.014 0.000 0.755 66 A CB -0.421 18.592 19.000 0.023 0.000 0.978 66 A HN 2.127 nan 8.150 nan 0.000 0.507 67 A N 2.877 125.731 122.820 0.057 0.000 2.302 67 A HA 0.516 4.838 4.320 0.004 0.000 0.285 67 A C -0.149 177.523 177.584 0.147 0.000 1.105 67 A CA -0.623 51.457 52.037 0.073 0.000 0.816 67 A CB 0.268 19.294 19.000 0.043 0.000 1.067 67 A HN 0.790 nan 8.150 nan 0.000 0.489 68 D N 1.449 121.890 120.400 0.069 0.000 2.316 68 D HA 0.468 5.111 4.640 0.004 0.000 0.245 68 D C -0.733 175.614 176.300 0.078 0.000 1.171 68 D CA 0.916 54.929 54.000 0.022 0.000 0.856 68 D CB 0.605 41.389 40.800 -0.028 0.000 1.090 68 D HN 0.520 nan 8.370 nan 0.000 0.476 69 Y N -0.623 119.638 120.300 -0.065 0.000 2.655 69 Y HA 0.653 5.206 4.550 0.004 0.000 0.336 69 Y C -1.765 174.100 175.900 -0.058 0.000 1.154 69 Y CA -1.346 56.712 58.100 -0.069 0.000 1.055 69 Y CB 1.259 39.661 38.460 -0.097 0.000 1.295 69 Y HN 0.098 nan 8.280 nan 0.000 0.465 70 V N 2.976 122.938 119.914 0.079 0.000 2.709 70 V HA 0.699 4.821 4.120 0.004 0.000 0.308 70 V C -1.872 174.337 176.094 0.192 0.000 1.062 70 V CA -0.831 61.472 62.300 0.006 0.000 0.901 70 V CB 1.740 33.550 31.823 -0.023 0.000 1.003 70 V HN 0.908 nan 8.190 nan 0.000 0.425 71 L N 5.835 127.160 121.223 0.171 0.000 2.325 71 L HA 0.758 5.101 4.340 0.004 0.000 0.281 71 L C -0.623 176.317 176.870 0.117 0.000 1.004 71 L CA 0.260 55.202 54.840 0.169 0.000 0.823 71 L CB 1.466 43.637 42.059 0.187 0.000 1.236 71 L HN 0.870 nan 8.230 nan 0.000 0.415 72 E N 4.462 124.732 120.200 0.118 0.000 2.263 72 E HA 0.624 4.977 4.350 0.004 0.000 0.268 72 E C 0.441 177.106 176.600 0.109 0.000 0.884 72 E CA -0.022 56.434 56.400 0.094 0.000 0.766 72 E CB 1.258 31.000 29.700 0.070 0.000 1.196 72 E HN 0.988 nan 8.360 nan 0.000 0.416 73 G N 4.338 113.197 108.800 0.098 0.000 2.596 73 G HA2 -0.371 3.591 3.960 0.004 0.000 0.304 73 G HA3 -0.371 3.591 3.960 0.004 0.000 0.304 73 G C 0.371 175.347 174.900 0.127 0.000 1.189 73 G CA 0.577 45.735 45.100 0.097 0.000 0.986 73 G HN 0.646 nan 8.290 nan 0.000 0.548 74 E N 0.748 121.024 120.200 0.127 0.000 2.585 74 E HA 0.353 4.706 4.350 0.004 0.000 0.206 74 E C -0.459 176.257 176.600 0.193 0.000 1.007 74 E CA 0.179 56.662 56.400 0.138 0.000 1.028 74 E CB 0.828 30.570 29.700 0.069 0.000 1.087 74 E HN 0.280 nan 8.360 nan 0.000 0.455 75 T N 1.623 116.305 114.554 0.213 0.000 2.809 75 T HA 0.324 4.676 4.350 0.004 0.000 0.284 75 T C -0.983 173.846 174.700 0.215 0.000 0.992 75 T CA -0.590 61.639 62.100 0.214 0.000 0.957 75 T CB 1.308 70.268 68.868 0.154 0.000 0.942 75 T HN 0.004 nan 8.240 nan 0.000 0.439 76 L N 4.112 125.474 121.223 0.231 0.000 2.282 76 L HA 0.702 5.045 4.340 0.004 0.000 0.288 76 L C -0.440 176.478 176.870 0.082 0.000 1.033 76 L CA 0.214 55.109 54.840 0.091 0.000 0.807 76 L CB 1.115 43.081 42.059 -0.154 0.000 1.209 76 L HN 0.571 nan 8.230 nan 0.000 0.423 77 T N 6.300 120.908 114.554 0.091 0.000 2.824 77 T HA 0.650 5.002 4.350 0.004 0.000 0.282 77 T C -0.607 174.136 174.700 0.071 0.000 0.993 77 T CA -0.075 62.069 62.100 0.074 0.000 0.967 77 T CB 1.112 70.024 68.868 0.074 0.000 0.960 77 T HN 0.361 nan 8.240 nan 0.000 0.441 78 I N 2.535 123.121 120.570 0.027 0.000 2.411 78 I HA 0.462 4.634 4.170 0.004 0.000 0.284 78 I C 1.088 177.192 176.117 -0.022 0.000 1.012 78 I CA -0.529 60.774 61.300 0.005 0.000 1.119 78 I CB 1.467 39.444 38.000 -0.038 0.000 1.261 78 I HN 0.799 nan 8.210 nan 0.000 0.448 79 A N 4.465 127.278 122.820 -0.012 0.000 1.898 79 A HA 0.258 4.581 4.320 0.004 0.000 0.214 79 A C 1.434 178.995 177.584 -0.039 0.000 1.183 79 A CA 1.007 53.037 52.037 -0.012 0.000 0.622 79 A CB -0.477 18.519 19.000 -0.006 0.000 0.824 79 A HN 0.704 nan 8.150 nan 0.000 0.444 80 G N 0.720 109.481 108.800 -0.066 0.000 2.696 80 G HA2 0.499 4.461 3.960 0.004 0.000 0.329 80 G HA3 0.499 4.461 3.960 0.004 0.000 0.329 80 G C -0.331 174.463 174.900 -0.176 0.000 0.973 80 G CA 0.277 45.322 45.100 -0.091 0.000 1.257 80 G HN 0.817 nan 8.290 nan 0.000 0.456 81 V N 0.780 120.557 119.914 -0.228 0.000 2.815 81 V HA 0.737 4.860 4.120 0.004 0.000 0.314 81 V C -2.289 173.565 176.094 -0.400 0.000 1.064 81 V CA -2.708 59.293 62.300 -0.498 0.000 0.952 81 V CB 1.763 33.160 31.823 -0.710 0.000 1.020 81 V HN 0.369 nan 8.190 nan 0.000 0.439 82 P HA 0.192 nan 4.420 nan 0.000 0.270 82 P C 0.781 178.064 177.300 -0.028 0.000 1.223 82 P CA 0.000 62.979 63.100 -0.202 0.000 0.785 82 P CB 0.730 32.358 31.700 -0.120 0.000 0.923 83 S N -0.622 115.099 115.700 0.034 0.000 2.562 83 S HA -0.005 4.467 4.470 0.004 0.000 0.221 83 S C 0.444 175.115 174.600 0.118 0.000 0.975 83 S CA 0.124 58.370 58.200 0.076 0.000 0.918 83 S CB -0.393 62.829 63.200 0.036 0.000 0.772 83 S HN 0.591 nan 8.310 nan 0.000 0.531 84 E N -0.147 120.144 120.200 0.152 0.000 2.410 84 E HA 0.494 4.847 4.350 0.004 0.000 0.269 84 E C -0.922 175.832 176.600 0.257 0.000 0.937 84 E CA -1.307 55.187 56.400 0.156 0.000 0.793 84 E CB 0.634 30.392 29.700 0.096 0.000 1.314 84 E HN -0.002 nan 8.360 nan 0.000 0.447 85 R N 0.468 121.069 120.500 0.168 0.000 2.538 85 R HA 0.098 4.441 4.340 0.004 0.000 0.273 85 R C -0.595 175.822 176.300 0.196 0.000 0.967 85 R CA 0.880 57.048 56.100 0.114 0.000 1.101 85 R CB -0.230 30.090 30.300 0.033 0.000 0.908 85 R HN 0.451 nan 8.270 nan 0.000 0.411 86 F N -1.872 118.088 119.950 0.017 0.000 2.685 86 F HA 0.587 5.116 4.527 0.004 0.000 0.315 86 F C -0.624 175.166 175.800 -0.018 0.000 1.126 86 F CA -1.274 56.723 58.000 -0.004 0.000 0.950 86 F CB 1.276 40.269 39.000 -0.012 0.000 1.360 86 F HN 0.393 nan 8.300 nan 0.000 0.469 87 T N -0.289 114.348 114.554 0.139 0.000 2.888 87 T HA 0.785 5.138 4.350 0.004 0.000 0.284 87 T C -1.149 173.627 174.700 0.127 0.000 1.017 87 T CA -0.773 61.341 62.100 0.023 0.000 1.022 87 T CB 1.578 70.453 68.868 0.012 0.000 1.013 87 T HN 0.692 nan 8.240 nan 0.000 0.465 88 V N 2.314 122.245 119.914 0.028 0.000 2.495 88 V HA 0.483 4.605 4.120 0.004 0.000 0.298 88 V C -0.321 175.768 176.094 -0.009 0.000 1.031 88 V CA -0.807 61.516 62.300 0.038 0.000 0.871 88 V CB 1.610 33.451 31.823 0.029 0.000 0.988 88 V HN 0.992 nan 8.190 nan 0.000 0.432 89 E N 3.227 123.413 120.200 -0.023 0.000 2.155 89 E HA 0.591 4.944 4.350 0.004 0.000 0.264 89 E C -1.379 175.181 176.600 -0.067 0.000 0.886 89 E CA -0.471 55.905 56.400 -0.040 0.000 0.752 89 E CB 2.373 32.048 29.700 -0.041 0.000 1.133 89 E HN 0.451 nan 8.360 nan 0.000 0.414 90 V N 2.790 122.668 119.914 -0.059 0.000 2.459 90 V HA 0.291 4.413 4.120 0.004 0.000 0.295 90 V C -0.148 175.905 176.094 -0.069 0.000 1.029 90 V CA -0.749 61.505 62.300 -0.077 0.000 0.874 90 V CB 1.696 33.506 31.823 -0.022 0.000 0.985 90 V HN 0.668 nan 8.190 nan 0.000 0.438 91 E N 3.049 123.202 120.200 -0.078 0.000 2.145 91 E HA 0.600 4.952 4.350 0.004 0.000 0.270 91 E C -0.586 175.993 176.600 -0.035 0.000 0.906 91 E CA -0.366 55.995 56.400 -0.065 0.000 0.761 91 E CB 1.514 31.176 29.700 -0.063 0.000 1.116 91 E HN 0.900 nan 8.360 nan 0.000 0.408 92 T N 0.872 115.406 114.554 -0.033 0.000 2.930 92 T HA 0.515 4.868 4.350 0.004 0.000 0.290 92 T C -0.442 174.247 174.700 -0.018 0.000 1.052 92 T CA -0.971 61.131 62.100 0.003 0.000 1.017 92 T CB 1.867 70.743 68.868 0.014 0.000 1.137 92 T HN 0.442 nan 8.240 nan 0.000 0.511 93 E N 0.652 120.855 120.200 0.006 0.000 2.246 93 E HA 0.589 4.942 4.350 0.004 0.000 0.266 93 E C -1.486 175.125 176.600 0.017 0.000 0.880 93 E CA -0.823 55.583 56.400 0.010 0.000 0.762 93 E CB 1.441 31.152 29.700 0.019 0.000 1.180 93 E HN 0.658 nan 8.360 nan 0.000 0.416 94 I N 4.346 124.930 120.570 0.024 0.000 2.569 94 I HA 0.315 4.488 4.170 0.004 0.000 0.296 94 I C -0.568 175.577 176.117 0.046 0.000 1.028 94 I CA -0.926 60.394 61.300 0.035 0.000 1.082 94 I CB 1.763 39.790 38.000 0.045 0.000 1.264 94 I HN 0.428 nan 8.210 nan 0.000 0.429 95 L N 7.085 128.337 121.223 0.048 0.000 2.371 95 L HA 0.341 4.683 4.340 0.004 0.000 0.262 95 L C -1.825 175.084 176.870 0.065 0.000 1.054 95 L CA -1.259 53.613 54.840 0.053 0.000 0.924 95 L CB 0.769 42.855 42.059 0.046 0.000 1.295 95 L HN 0.373 nan 8.230 nan 0.000 0.441 96 P HA -0.113 nan 4.420 nan 0.000 0.221 96 P C 1.414 178.783 177.300 0.116 0.000 1.150 96 P CA 0.690 63.850 63.100 0.100 0.000 0.800 96 P CB 0.387 32.134 31.700 0.078 0.000 0.787 97 A N 0.015 122.891 122.820 0.092 0.000 2.168 97 A HA -0.133 4.189 4.320 0.004 0.000 0.215 97 A C 1.900 179.521 177.584 0.062 0.000 1.152 97 A CA 1.087 53.175 52.037 0.085 0.000 0.716 97 A CB -0.863 18.179 19.000 0.071 0.000 0.794 97 A HN 0.208 nan 8.150 nan 0.000 0.465 98 E N -0.235 120.000 120.200 0.057 0.000 2.442 98 E HA -0.037 4.316 4.350 0.004 0.000 0.195 98 E C 0.067 176.693 176.600 0.044 0.000 1.030 98 E CA -0.283 56.142 56.400 0.041 0.000 0.869 98 E CB -0.020 29.703 29.700 0.038 0.000 0.857 98 E HN 0.429 nan 8.360 nan 0.000 0.505 99 N N 2.016 120.757 118.700 0.069 0.000 2.466 99 N HA -0.031 4.711 4.740 0.004 0.000 0.263 99 N C 0.305 175.832 175.510 0.028 0.000 1.178 99 N CA 0.158 53.246 53.050 0.064 0.000 0.983 99 N CB 0.344 38.899 38.487 0.114 0.000 1.331 99 N HN -0.137 nan 8.380 nan 0.000 0.500 100 K N 0.487 120.891 120.400 0.008 0.000 2.426 100 K HA 0.029 4.352 4.320 0.004 0.000 0.193 100 K C 1.520 178.119 176.600 -0.002 0.000 1.028 100 K CA 0.260 56.540 56.287 -0.012 0.000 1.047 100 K CB -0.116 32.373 32.500 -0.017 0.000 0.821 100 K HN 0.534 nan 8.250 nan 0.000 0.513 101 S N 0.485 116.154 115.700 -0.051 0.000 2.489 101 S HA 0.034 4.506 4.470 0.004 0.000 0.228 101 S C 0.877 175.315 174.600 -0.270 0.000 0.995 101 S CA -0.201 57.935 58.200 -0.107 0.000 0.934 101 S CB -0.612 62.534 63.200 -0.090 0.000 0.771 101 S HN 0.274 nan 8.310 nan 0.000 0.522 105 L N 1.563 122.904 121.223 0.197 0.000 2.275 105 L HA 0.816 5.158 4.340 0.004 0.000 0.288 105 L C -0.712 176.299 176.870 0.234 0.000 1.046 105 L CA -0.855 54.090 54.840 0.176 0.000 0.805 105 L CB 0.502 42.643 42.059 0.136 0.000 1.193 105 L HN 0.777 nan 8.230 nan 0.000 0.426 106 Y N 3.372 123.724 120.300 0.086 0.000 2.597 106 Y HA 0.892 5.444 4.550 0.004 0.000 0.340 106 Y C -0.893 175.093 175.900 0.143 0.000 1.097 106 Y CA -1.149 57.008 58.100 0.095 0.000 1.037 106 Y CB 0.721 39.229 38.460 0.080 0.000 1.305 106 Y HN 0.748 nan 8.280 nan 0.000 0.463 107 A N 1.505 124.484 122.820 0.265 0.000 2.303 107 A HA 0.767 5.090 4.320 0.004 0.000 0.317 107 A C -0.452 177.322 177.584 0.317 0.000 1.149 107 A CA -0.133 52.026 52.037 0.203 0.000 0.822 107 A CB 0.887 19.979 19.000 0.154 0.000 1.131 107 A HN 1.124 nan 8.150 nan 0.000 0.493 108 S N 0.543 116.433 115.700 0.317 0.000 2.626 108 S HA 0.498 4.971 4.470 0.004 0.000 0.275 108 S C 0.280 175.048 174.600 0.280 0.000 1.175 108 S CA 0.596 58.972 58.200 0.293 0.000 0.982 108 S CB 0.479 63.822 63.200 0.238 0.000 1.093 108 S HN 2.665 nan 8.310 nan 0.000 0.472 109 G N 2.821 111.716 108.800 0.158 0.000 2.321 109 G HA2 0.018 3.981 3.960 0.004 0.000 0.287 109 G HA3 0.018 3.981 3.960 0.004 0.000 0.287 109 G C 1.439 176.407 174.900 0.113 0.000 1.018 109 G CA 1.095 46.267 45.100 0.121 0.000 0.855 109 G HN 2.350 nan 8.290 nan 0.000 0.507 110 G N -1.801 107.062 108.800 0.106 0.000 2.184 110 G HA2 -0.325 3.637 3.960 0.004 0.000 0.264 110 G HA3 -0.325 3.637 3.960 0.004 0.000 0.264 110 G C 0.320 175.270 174.900 0.083 0.000 0.975 110 G CA 0.773 45.914 45.100 0.070 0.000 0.642 110 G HN 1.005 nan 8.290 nan 0.000 0.536 111 N N -0.560 118.211 118.700 0.117 0.000 2.525 111 N HA 0.772 5.515 4.740 0.004 0.000 0.288 111 N C -0.091 175.314 175.510 -0.175 0.000 1.242 111 N CA -0.429 52.612 53.050 -0.014 0.000 0.905 111 N CB 1.248 39.641 38.487 -0.157 0.000 1.258 111 N HN 0.203 nan 8.380 nan 0.000 0.551 112 L N 0.749 121.658 121.223 -0.524 0.000 2.346 112 L HA 0.612 4.954 4.340 0.004 0.000 0.274 112 L C -1.067 175.221 176.870 -0.970 0.000 1.007 112 L CA -0.594 53.922 54.840 -0.540 0.000 0.818 112 L CB 0.982 42.813 42.059 -0.381 0.000 1.284 112 L HN 0.385 nan 8.230 nan 0.000 0.424 113 F N -0.698 118.992 119.950 -0.433 0.000 2.662 113 F HA 0.608 5.138 4.527 0.005 0.000 0.312 113 F C 0.079 175.612 175.800 -0.445 0.000 1.113 113 F CA -0.706 57.011 58.000 -0.473 0.000 0.951 113 F CB 2.452 41.097 39.000 -0.592 0.000 1.344 113 F HN 0.392 nan 8.300 nan 0.000 0.462 114 T N -0.885 113.655 114.554 -0.024 0.000 2.908 114 T HA 0.713 5.066 4.350 0.004 0.000 0.290 114 T C -1.313 173.532 174.700 0.242 0.000 1.034 114 T CA -0.814 61.351 62.100 0.108 0.000 1.010 114 T CB 2.166 71.094 68.868 0.100 0.000 1.068 114 T HN 0.527 nan 8.240 nan 0.000 0.481 115 Q N 0.371 120.343 119.800 0.287 0.000 2.274 115 Q HA 0.551 4.894 4.340 0.004 0.000 0.268 115 Q C -0.719 175.355 176.000 0.124 0.000 1.015 115 Q CA -0.672 55.234 55.803 0.172 0.000 0.775 115 Q CB 1.092 29.847 28.738 0.028 0.000 1.256 115 Q HN 0.840 nan 8.270 nan 0.000 0.442 116 C N 2.499 121.878 119.300 0.132 0.000 2.820 116 C HA 0.308 4.770 4.460 0.004 0.000 0.323 116 C C 0.665 175.734 174.990 0.131 0.000 1.279 116 C CA -0.115 59.012 59.018 0.181 0.000 1.790 116 C CB 0.042 27.959 27.740 0.294 0.000 2.328 116 C HN 0.855 nan 8.230 nan 0.000 0.579 117 E N 2.443 122.695 120.200 0.086 0.000 2.313 117 E HA 0.120 4.473 4.350 0.004 0.000 0.276 117 E C -1.425 174.968 176.600 -0.345 0.000 1.031 117 E CA -1.182 55.205 56.400 -0.022 0.000 0.857 117 E CB 1.305 31.044 29.700 0.065 0.000 1.040 117 E HN 0.201 nan 8.360 nan 0.000 0.408 118 P HA -0.010 nan 4.420 nan 0.000 0.220 118 P C -0.212 176.972 177.300 -0.193 0.000 1.154 118 P CA 1.016 63.660 63.100 -0.759 0.000 0.830 118 P CB 0.358 31.147 31.700 -1.518 0.000 0.803 119 E N -0.774 119.340 120.200 -0.143 0.000 3.306 119 E HA 0.261 4.613 4.350 0.004 0.000 0.197 119 E C 1.157 177.786 176.600 0.047 0.000 0.980 119 E CA -0.162 56.255 56.400 0.028 0.000 1.259 119 E CB 0.255 29.953 29.700 -0.004 0.000 1.112 119 E HN 0.146 nan 8.360 nan 0.000 0.458 120 G N 0.280 109.118 108.800 0.063 0.000 2.623 120 G HA2 -0.175 3.788 3.960 0.004 0.000 0.214 120 G HA3 -0.175 3.788 3.960 0.004 0.000 0.214 120 G C 1.086 176.066 174.900 0.134 0.000 1.138 120 G CA -0.101 45.040 45.100 0.068 0.000 0.794 120 G HN 0.256 nan 8.290 nan 0.000 0.535 121 F N 2.714 122.696 119.950 0.053 0.000 2.186 121 F HA -0.021 4.509 4.527 0.004 0.000 0.299 121 F C 2.771 178.553 175.800 -0.030 0.000 1.090 121 F CA 1.311 59.322 58.000 0.019 0.000 1.307 121 F CB 0.044 39.042 39.000 -0.004 0.000 1.019 121 F HN 0.208 nan 8.300 nan 0.000 0.489 122 R N 0.505 121.021 120.500 0.026 0.000 2.293 122 R HA -0.110 4.233 4.340 0.004 0.000 0.219 122 R C 1.404 177.543 176.300 -0.269 0.000 1.091 122 R CA 1.415 57.437 56.100 -0.131 0.000 1.004 122 R CB -0.718 29.573 30.300 -0.015 0.000 0.865 122 R HN 0.251 nan 8.270 nan 0.000 0.469 123 K N 0.348 120.640 120.400 -0.180 0.000 2.426 123 K HA 0.154 4.477 4.320 0.004 0.000 0.193 123 K C 1.421 177.911 176.600 -0.185 0.000 1.028 123 K CA 0.455 56.646 56.287 -0.160 0.000 1.047 123 K CB 0.262 32.722 32.500 -0.067 0.000 0.821 123 K HN 0.271 nan 8.250 nan 0.000 0.513 124 I N -0.820 119.567 120.570 -0.305 0.000 2.947 124 I HA -0.013 4.159 4.170 0.004 0.000 0.263 124 I C 1.036 176.904 176.117 -0.414 0.000 1.130 124 I CA 0.456 61.562 61.300 -0.324 0.000 1.448 124 I CB 0.824 38.602 38.000 -0.370 0.000 1.222 124 I HN -0.059 nan 8.210 nan 0.000 0.453 125 T N -0.786 113.412 114.554 -0.592 0.000 2.816 125 T HA 0.468 4.821 4.350 0.004 0.000 0.299 125 T C -1.548 172.977 174.700 -0.292 0.000 1.230 125 T CA -0.533 61.346 62.100 -0.367 0.000 1.007 125 T CB 0.967 69.624 68.868 -0.351 0.000 1.289 125 T HN -0.136 nan 8.240 nan 0.000 0.508 126 F N 2.596 122.504 119.950 -0.069 0.000 2.427 126 F HA 0.630 5.160 4.527 0.005 0.000 0.352 126 F C -0.190 175.723 175.800 0.188 0.000 1.100 126 F CA 0.006 58.028 58.000 0.036 0.000 1.191 126 F CB 0.692 39.682 39.000 -0.017 0.000 1.128 126 F HN 0.481 nan 8.300 nan 0.000 0.533 127 Y N 2.345 122.754 120.300 0.181 0.000 2.656 127 Y HA 0.473 5.026 4.550 0.004 0.000 0.334 127 Y C -0.855 175.163 175.900 0.197 0.000 1.179 127 Y CA -1.665 56.561 58.100 0.211 0.000 1.050 127 Y CB 1.295 39.977 38.460 0.370 0.000 1.308 127 Y HN 0.348 nan 8.280 nan 0.000 0.456 128 I N 3.248 123.695 120.570 -0.206 0.000 2.278 128 I HA 0.104 4.276 4.170 0.004 0.000 0.300 128 I C -0.350 175.902 176.117 0.226 0.000 1.174 128 I CA 0.325 61.616 61.300 -0.015 0.000 1.347 128 I CB -0.147 37.800 38.000 -0.089 0.000 1.473 128 I HN 0.412 nan 8.210 nan 0.000 0.595 129 D N 7.733 128.359 120.400 0.377 0.000 2.741 129 D HA 0.164 4.806 4.640 0.004 0.000 0.233 129 D C -0.033 176.503 176.300 0.393 0.000 1.160 129 D CA -0.341 53.953 54.000 0.490 0.000 1.003 129 D CB 0.173 41.240 40.800 0.445 0.000 1.064 129 D HN 0.510 nan 8.370 nan 0.000 0.503 130 R N 0.655 121.364 120.500 0.349 0.000 2.626 130 R HA 0.430 4.773 4.340 0.004 0.000 0.274 130 R C -2.563 173.851 176.300 0.190 0.000 1.031 130 R CA -1.447 54.814 56.100 0.269 0.000 0.898 130 R CB 1.224 31.650 30.300 0.211 0.000 1.222 130 R HN -0.201 nan 8.270 nan 0.000 0.455 131 P HA -0.096 nan 4.420 nan 0.000 0.233 131 P C 0.008 177.317 177.300 0.016 0.000 1.167 131 P CA 0.883 63.993 63.100 0.017 0.000 0.770 131 P CB 0.185 31.666 31.700 -0.365 0.000 0.837 132 D N -0.605 119.813 120.400 0.031 0.000 2.355 132 D HA -0.004 4.638 4.640 0.004 0.000 0.218 132 D C 0.860 177.179 176.300 0.031 0.000 1.004 132 D CA 0.074 54.109 54.000 0.059 0.000 0.880 132 D CB -0.605 40.288 40.800 0.154 0.000 0.911 132 D HN 0.025 nan 8.370 nan 0.000 0.528 136 K N 2.093 122.543 120.400 0.083 0.000 2.262 136 K HA 0.473 4.796 4.320 0.004 0.000 0.282 136 K C -1.245 175.437 176.600 0.136 0.000 1.066 136 K CA -0.028 56.348 56.287 0.148 0.000 0.901 136 K CB 0.587 33.128 32.500 0.068 0.000 1.089 136 K HN 0.417 nan 8.250 nan 0.000 0.476 137 F N 1.121 121.115 119.950 0.074 0.000 2.404 137 F HA 0.284 4.813 4.527 0.004 0.000 0.339 137 F C 0.548 176.432 175.800 0.140 0.000 1.105 137 F CA -0.371 57.695 58.000 0.110 0.000 1.087 137 F CB 1.898 40.980 39.000 0.137 0.000 1.143 137 F HN 0.297 nan 8.300 nan 0.000 0.491 138 T N 1.627 116.363 114.554 0.303 0.000 2.879 138 T HA 0.401 4.754 4.350 0.004 0.000 0.290 138 T C -0.668 174.231 174.700 0.331 0.000 0.993 138 T CA -0.742 61.528 62.100 0.283 0.000 0.975 138 T CB 1.467 70.446 68.868 0.184 0.000 0.981 138 T HN 0.431 nan 8.240 nan 0.000 0.439 139 T N 3.114 117.905 114.554 0.395 0.000 2.809 139 T HA 0.540 4.892 4.350 0.004 0.000 0.284 139 T C -0.117 174.816 174.700 0.389 0.000 0.992 139 T CA -0.594 61.774 62.100 0.446 0.000 0.957 139 T CB 1.291 70.468 68.868 0.515 0.000 0.942 139 T HN 0.495 nan 8.240 nan 0.000 0.439 140 T N 3.953 118.701 114.554 0.324 0.000 2.824 140 T HA 0.682 5.035 4.350 0.004 0.000 0.280 140 T C -0.161 174.621 174.700 0.136 0.000 0.995 140 T CA -0.524 61.715 62.100 0.230 0.000 1.009 140 T CB 0.546 69.515 68.868 0.170 0.000 0.955 140 T HN 0.433 nan 8.240 nan 0.000 0.452 141 I N 2.479 123.122 120.570 0.122 0.000 2.499 141 I HA 0.492 4.664 4.170 0.004 0.000 0.288 141 I C -0.833 175.304 176.117 0.034 0.000 1.048 141 I CA -1.039 60.291 61.300 0.051 0.000 1.062 141 I CB 2.093 40.104 38.000 0.018 0.000 1.238 141 I HN 0.272 nan 8.210 nan 0.000 0.426 142 V N 4.733 124.660 119.914 0.021 0.000 2.604 142 V HA 0.975 5.097 4.120 0.004 0.000 0.305 142 V C -0.051 176.120 176.094 0.128 0.000 1.043 142 V CA -0.400 61.987 62.300 0.145 0.000 0.888 142 V CB 1.555 33.542 31.823 0.273 0.000 0.995 142 V HN 0.917 nan 8.190 nan 0.000 0.429 143 A N 2.766 125.701 122.820 0.193 0.000 2.586 143 A HA 0.606 4.929 4.320 0.004 0.000 0.291 143 A C -1.263 176.560 177.584 0.397 0.000 1.062 143 A CA -0.718 51.465 52.037 0.244 0.000 0.666 143 A CB 1.145 20.229 19.000 0.140 0.000 1.281 143 A HN 0.832 nan 8.150 nan 0.000 0.421 144 D N 0.435 121.067 120.400 0.388 0.000 2.450 144 D HA 0.202 4.845 4.640 0.004 0.000 0.247 144 D C 1.061 177.501 176.300 0.233 0.000 1.162 144 D CA 0.456 54.626 54.000 0.283 0.000 0.879 144 D CB 0.821 41.737 40.800 0.193 0.000 1.163 144 D HN 0.531 nan 8.370 nan 0.000 0.472 145 K N 3.025 123.457 120.400 0.054 0.000 2.097 145 K HA -0.123 4.199 4.320 0.004 0.000 0.205 145 K C 1.401 177.892 176.600 -0.182 0.000 1.050 145 K CA 0.935 57.032 56.287 -0.316 0.000 0.938 145 K CB 0.217 32.410 32.500 -0.511 0.000 0.718 145 K HN 0.354 nan 8.250 nan 0.000 0.442 146 K N 0.096 120.435 120.400 -0.103 0.000 2.062 146 K HA -0.137 4.185 4.320 0.004 0.000 0.205 146 K C 2.331 178.855 176.600 -0.128 0.000 1.051 146 K CA 1.076 57.304 56.287 -0.098 0.000 0.941 146 K CB -0.120 32.338 32.500 -0.070 0.000 0.719 146 K HN 0.135 nan 8.250 nan 0.000 0.440 147 R N 0.243 120.637 120.500 -0.177 0.000 2.073 147 R HA -0.095 4.247 4.340 0.004 0.000 0.229 147 R C 0.133 176.091 176.300 -0.570 0.000 1.120 147 R CA 1.244 57.098 56.100 -0.411 0.000 0.967 147 R CB 0.226 30.205 30.300 -0.534 0.000 0.862 147 R HN 0.118 nan 8.270 nan 0.000 0.436 148 Y N 0.192 120.505 120.300 0.022 0.000 2.562 148 Y HA 0.337 4.890 4.550 0.004 0.000 0.363 148 Y C -1.896 174.068 175.900 0.107 0.000 0.991 148 Y CA -2.635 55.488 58.100 0.038 0.000 1.121 148 Y CB 1.613 40.102 38.460 0.047 0.000 1.159 148 Y HN 0.137 nan 8.280 nan 0.000 0.651 149 P HA -0.078 nan 4.420 nan 0.000 0.223 149 P C 0.237 177.655 177.300 0.197 0.000 1.151 149 P CA 0.980 64.129 63.100 0.082 0.000 0.787 149 P CB 0.810 32.510 31.700 0.000 0.000 0.788 150 V N 2.057 122.052 119.914 0.135 0.000 2.347 150 V HA 0.264 4.387 4.120 0.004 0.000 0.280 150 V C 0.203 176.288 176.094 -0.015 0.000 1.021 150 V CA -0.396 61.937 62.300 0.055 0.000 0.847 150 V CB 1.273 33.091 31.823 -0.008 0.000 0.990 150 V HN -0.080 nan 8.190 nan 0.000 0.444 151 L N 7.007 128.231 121.223 0.001 0.000 2.372 151 L HA 0.641 4.984 4.340 0.004 0.000 0.273 151 L C -0.841 176.049 176.870 0.033 0.000 0.989 151 L CA -0.277 54.533 54.840 -0.050 0.000 0.841 151 L CB 1.588 43.623 42.059 -0.040 0.000 1.225 151 L HN 0.422 nan 8.230 nan 0.000 0.414 152 L N 2.009 123.041 121.223 -0.318 0.000 2.381 152 L HA 0.769 5.112 4.340 0.004 0.000 0.268 152 L C -0.178 176.026 176.870 -1.110 0.000 0.997 152 L CA -0.363 53.999 54.840 -0.798 0.000 0.818 152 L CB 2.203 43.794 42.059 -0.780 0.000 1.310 152 L HN 0.570 nan 8.230 nan 0.000 0.416 153 S N 0.466 115.038 115.700 -1.880 0.000 2.705 153 S HA 0.484 4.956 4.470 0.004 0.000 0.280 153 S C -1.181 172.785 174.600 -1.058 0.000 1.174 153 S CA -0.789 56.711 58.200 -1.168 0.000 0.823 153 S CB 1.565 64.389 63.200 -0.627 0.000 1.162 153 S HN 0.720 nan 8.310 nan 0.000 0.487 154 N N 0.874 119.209 118.700 -0.607 0.000 2.492 154 N HA 0.526 5.268 4.740 0.004 0.000 0.260 154 N C 0.641 176.121 175.510 -0.051 0.000 1.215 154 N CA 1.055 53.892 53.050 -0.356 0.000 0.923 154 N CB 0.587 38.903 38.487 -0.285 0.000 1.092 154 N HN 1.049 nan 8.380 nan 0.000 0.448 155 G N 1.419 110.254 108.800 0.059 0.000 2.443 155 G HA2 -0.219 3.743 3.960 0.004 0.000 0.209 155 G HA3 -0.219 3.743 3.960 0.004 0.000 0.209 155 G C -1.143 174.007 174.900 0.417 0.000 1.176 155 G CA -0.794 44.448 45.100 0.237 0.000 1.074 155 G HN 0.691 nan 8.290 nan 0.000 0.577 156 N N 0.741 119.655 118.700 0.357 0.000 2.400 156 N HA 0.495 5.237 4.740 0.004 0.000 0.288 156 N C -0.269 175.252 175.510 0.018 0.000 1.024 156 N CA -0.610 52.575 53.050 0.224 0.000 0.894 156 N CB 1.988 40.537 38.487 0.104 0.000 1.173 156 N HN 0.633 nan 8.380 nan 0.000 0.487 157 K N 3.105 123.237 120.400 -0.447 0.000 2.338 157 K HA 0.130 4.452 4.320 0.004 0.000 0.290 157 K C 0.552 176.878 176.600 -0.456 0.000 1.069 157 K CA -0.038 55.649 56.287 -0.999 0.000 0.941 157 K CB 0.138 31.811 32.500 -1.378 0.000 1.023 157 K HN 0.705 nan 8.250 nan 0.000 0.477 158 I N -0.355 120.019 120.570 -0.326 0.000 4.035 158 I HA 0.353 4.525 4.170 0.004 0.000 0.321 158 I C -0.032 176.006 176.117 -0.132 0.000 1.289 158 I CA -0.280 60.926 61.300 -0.156 0.000 1.236 158 I CB 0.423 38.391 38.000 -0.053 0.000 1.076 158 I HN 0.369 nan 8.210 nan 0.000 0.418 159 D N -0.244 120.041 120.400 -0.191 0.000 2.671 159 D HA 0.718 5.361 4.640 0.004 0.000 0.273 159 D C -0.946 175.050 176.300 -0.508 0.000 1.264 159 D CA 0.323 54.214 54.000 -0.182 0.000 0.788 159 D CB 2.374 43.251 40.800 0.128 0.000 1.324 159 D HN 0.284 nan 8.370 nan 0.000 0.424 160 G N -1.386 106.815 108.800 -0.998 0.000 2.356 160 G HA2 0.654 4.617 3.960 0.004 0.000 0.294 160 G HA3 0.654 4.617 3.960 0.004 0.000 0.294 160 G C -0.853 172.989 174.900 -1.764 0.000 1.423 160 G CA 0.135 44.176 45.100 -1.765 0.000 0.806 160 G HN 0.804 nan 8.290 nan 0.000 0.527 161 G N -1.184 106.496 108.800 -1.868 0.000 2.342 161 G HA2 0.592 4.554 3.960 0.004 0.000 0.297 161 G HA3 0.592 4.554 3.960 0.004 0.000 0.297 161 G C -1.788 172.759 174.900 -0.587 0.000 1.313 161 G CA -0.601 43.999 45.100 -0.833 0.000 0.830 161 G HN 0.611 nan 8.290 nan 0.000 0.506 162 E N -0.642 119.434 120.200 -0.207 0.000 2.235 162 E HA 0.702 5.054 4.350 0.004 0.000 0.265 162 E C -1.302 175.263 176.600 -0.058 0.000 0.940 162 E CA -0.516 55.819 56.400 -0.109 0.000 0.819 162 E CB 2.174 31.868 29.700 -0.010 0.000 1.206 162 E HN 0.205 nan 8.360 nan 0.000 0.409 163 F N -0.082 120.006 119.950 0.229 0.000 2.538 163 F HA 0.217 4.746 4.527 0.004 0.000 0.325 163 F C 1.663 177.532 175.800 0.114 0.000 1.066 163 F CA -1.004 57.101 58.000 0.174 0.000 0.946 163 F CB 1.552 40.657 39.000 0.176 0.000 1.199 163 F HN 0.276 nan 8.300 nan 0.000 0.473 164 S N 0.032 115.907 115.700 0.293 0.000 2.474 164 S HA -0.132 4.341 4.470 0.004 0.000 0.235 164 S C 1.036 175.717 174.600 0.136 0.000 0.997 164 S CA 1.227 59.526 58.200 0.166 0.000 0.949 164 S CB -0.434 62.838 63.200 0.120 0.000 0.766 164 S HN 0.688 nan 8.310 nan 0.000 0.517 165 D N -0.391 120.108 120.400 0.165 0.000 2.336 165 D HA 0.262 4.905 4.640 0.004 0.000 0.228 165 D C 1.127 177.506 176.300 0.132 0.000 1.120 165 D CA 0.549 54.623 54.000 0.123 0.000 0.839 165 D CB -0.485 40.377 40.800 0.103 0.000 0.932 165 D HN 0.296 nan 8.370 nan 0.000 0.509 166 G N 0.193 109.078 108.800 0.142 0.000 2.176 166 G HA2 -0.306 3.657 3.960 0.004 0.000 0.253 166 G HA3 -0.306 3.657 3.960 0.004 0.000 0.253 166 G C 0.346 175.338 174.900 0.154 0.000 0.979 166 G CA -0.123 45.043 45.100 0.110 0.000 0.641 166 G HN 0.470 nan 8.290 nan 0.000 0.530 167 R N 0.275 120.934 120.500 0.265 0.000 2.607 167 R HA 0.742 5.084 4.340 0.004 0.000 0.261 167 R C 0.434 176.960 176.300 0.377 0.000 1.051 167 R CA -0.261 56.061 56.100 0.371 0.000 1.110 167 R CB 0.881 31.467 30.300 0.476 0.000 1.158 167 R HN 0.633 nan 8.270 nan 0.000 0.543 168 H N -0.925 118.223 119.070 0.131 0.000 2.990 168 H HA 0.425 4.984 4.556 0.004 0.000 0.336 168 H C -1.567 173.784 175.328 0.038 0.000 1.306 168 H CA -1.274 54.735 56.048 -0.066 0.000 1.118 168 H CB 1.114 30.809 29.762 -0.112 0.000 1.856 168 H HN 0.786 nan 8.280 nan 0.000 0.538 169 W N 1.067 122.086 121.300 -0.468 0.000 3.083 169 W HA 0.635 5.298 4.660 0.004 0.000 0.333 169 W C -1.630 174.700 176.519 -0.316 0.000 1.217 169 W CA -0.836 56.286 57.345 -0.370 0.000 1.170 169 W CB 0.667 29.993 29.460 -0.224 0.000 1.437 169 W HN 0.648 nan 8.180 nan 0.000 0.557 170 V N -0.607 119.272 119.914 -0.058 0.000 3.130 170 V HA 0.772 4.894 4.120 0.004 0.000 0.310 170 V C -1.242 174.917 176.094 0.107 0.000 1.158 170 V CA -1.388 60.793 62.300 -0.198 0.000 1.029 170 V CB 2.035 33.746 31.823 -0.187 0.000 1.057 170 V HN 0.716 nan 8.190 nan 0.000 0.436 171 K N 1.446 121.803 120.400 -0.072 0.000 2.507 171 K HA 0.547 4.870 4.320 0.004 0.000 0.251 171 K C -2.320 174.192 176.600 -0.147 0.000 0.943 171 K CA -0.454 55.884 56.287 0.086 0.000 0.794 171 K CB 1.957 34.601 32.500 0.241 0.000 1.188 171 K HN 0.831 nan 8.250 nan 0.000 0.428 172 W N 2.706 124.059 121.300 0.088 0.000 2.587 172 W HA 0.319 4.982 4.660 0.005 0.000 0.324 172 W C -0.392 176.183 176.519 0.093 0.000 1.040 172 W CA -0.508 56.872 57.345 0.059 0.000 1.222 172 W CB 1.708 31.182 29.460 0.022 0.000 1.381 172 W HN 0.476 nan 8.180 nan 0.000 0.483 173 E N 2.745 123.118 120.200 0.288 0.000 2.155 173 E HA 0.102 4.454 4.350 0.004 0.000 0.264 173 E C -1.335 175.391 176.600 0.210 0.000 0.886 173 E CA -0.545 55.983 56.400 0.214 0.000 0.752 173 E CB 1.125 30.898 29.700 0.121 0.000 1.133 173 E HN 0.263 nan 8.360 nan 0.000 0.414 174 D N 6.408 126.936 120.400 0.213 0.000 2.412 174 D HA 0.182 4.825 4.640 0.004 0.000 0.224 174 D C -1.647 174.733 176.300 0.135 0.000 1.093 174 D CA -2.446 51.664 54.000 0.182 0.000 0.850 174 D CB 1.673 42.569 40.800 0.159 0.000 1.046 174 D HN 0.292 nan 8.370 nan 0.000 0.507 175 P HA 0.022 nan 4.420 nan 0.000 0.236 175 P C 0.037 177.206 177.300 -0.218 0.000 1.177 175 P CA 0.046 63.072 63.100 -0.123 0.000 0.773 175 P CB 0.021 31.563 31.700 -0.263 0.000 0.878 176 F N 0.820 120.770 119.950 -0.001 0.000 2.424 176 F HA 0.190 4.719 4.527 0.004 0.000 0.356 176 F C 1.285 177.087 175.800 0.003 0.000 1.110 176 F CA -0.378 57.605 58.000 -0.029 0.000 1.161 176 F CB 0.350 39.295 39.000 -0.091 0.000 1.115 176 F HN -0.288 nan 8.300 nan 0.000 0.507 177 S N 3.947 119.743 115.700 0.160 0.000 2.563 177 S HA 0.178 4.651 4.470 0.004 0.000 0.294 177 S C -0.064 174.604 174.600 0.113 0.000 1.279 177 S CA -0.234 58.045 58.200 0.131 0.000 1.069 177 S CB 0.027 63.275 63.200 0.078 0.000 0.828 177 S HN 0.633 nan 8.310 nan 0.000 0.497 178 K N 2.831 123.308 120.400 0.127 0.000 2.532 178 K HA 0.630 4.953 4.320 0.004 0.000 0.265 178 K C -3.401 173.236 176.600 0.062 0.000 0.948 178 K CA -2.230 54.067 56.287 0.017 0.000 0.842 178 K CB 1.577 34.005 32.500 -0.120 0.000 1.392 178 K HN 0.196 nan 8.250 nan 0.000 0.436 179 P HA -0.035 nan 4.420 nan 0.000 0.274 179 P C 0.505 177.755 177.300 -0.083 0.000 1.237 179 P CA -0.358 62.763 63.100 0.035 0.000 0.793 179 P CB 1.265 33.011 31.700 0.077 0.000 0.977 180 S N 1.124 116.859 115.700 0.058 0.000 2.419 180 S HA -0.243 4.230 4.470 0.004 0.000 0.233 180 S C 1.934 176.422 174.600 -0.186 0.000 1.016 180 S CA 1.114 59.155 58.200 -0.266 0.000 0.974 180 S CB -1.714 61.301 63.200 -0.308 0.000 0.786 180 S HN 0.627 nan 8.310 nan 0.000 0.492 181 Y N 1.233 121.566 120.300 0.055 0.000 2.574 181 Y HA 0.297 4.850 4.550 0.004 0.000 0.294 181 Y C 1.522 177.436 175.900 0.024 0.000 1.142 181 Y CA 0.340 58.517 58.100 0.127 0.000 1.314 181 Y CB -0.497 38.169 38.460 0.344 0.000 0.991 181 Y HN 0.220 nan 8.280 nan 0.000 0.555 182 L N -0.355 120.505 121.223 -0.604 0.000 2.607 182 L HA 0.158 4.501 4.340 0.004 0.000 0.228 182 L C 0.273 176.887 176.870 -0.427 0.000 1.123 182 L CA -0.478 54.038 54.840 -0.540 0.000 0.890 182 L CB -0.161 41.505 42.059 -0.655 0.000 1.103 182 L HN 0.180 nan 8.230 nan 0.000 0.468 183 F N 1.894 121.495 119.950 -0.582 0.000 2.529 183 F HA 0.391 4.921 4.527 0.004 0.000 0.365 183 F C 0.436 176.071 175.800 -0.275 0.000 1.102 183 F CA -0.618 57.045 58.000 -0.560 0.000 1.271 183 F CB 0.430 39.061 39.000 -0.615 0.000 1.120 183 F HN -0.090 nan 8.300 nan 0.000 0.579 184 A N 7.054 129.066 122.820 -1.348 0.000 2.515 184 A HA 0.750 5.073 4.320 0.004 0.000 0.298 184 A C -2.055 174.722 177.584 -1.345 0.000 1.059 184 A CA -0.757 50.648 52.037 -1.054 0.000 0.698 184 A CB 1.528 20.184 19.000 -0.573 0.000 1.289 184 A HN 0.981 nan 8.150 nan 0.000 0.404 185 L N 1.876 122.600 121.223 -0.832 0.000 2.431 185 L HA 0.831 5.173 4.340 0.004 0.000 0.266 185 L C -1.742 174.814 176.870 -0.522 0.000 0.978 185 L CA -0.622 53.803 54.840 -0.691 0.000 0.822 185 L CB 2.175 43.849 42.059 -0.642 0.000 1.310 185 L HN 0.538 nan 8.230 nan 0.000 0.409 186 V N 3.475 123.058 119.914 -0.551 0.000 2.656 186 V HA 0.897 5.020 4.120 0.004 0.000 0.307 186 V C -0.446 175.337 176.094 -0.517 0.000 1.051 186 V CA -0.312 61.653 62.300 -0.559 0.000 0.893 186 V CB 1.733 33.251 31.823 -0.508 0.000 0.999 186 V HN 0.865 nan 8.190 nan 0.000 0.426 187 A N 2.975 125.477 122.820 -0.530 0.000 2.385 187 A HA 1.000 5.323 4.320 0.004 0.000 0.290 187 A C -0.098 177.389 177.584 -0.162 0.000 1.094 187 A CA 0.150 51.975 52.037 -0.354 0.000 0.729 187 A CB 1.563 20.250 19.000 -0.522 0.000 1.194 187 A HN 1.493 nan 8.150 nan 0.000 0.442 188 G N 0.307 109.113 108.800 0.011 0.000 2.495 188 G HA2 0.477 4.440 3.960 0.004 0.000 0.294 188 G HA3 0.477 4.440 3.960 0.004 0.000 0.294 188 G C -2.058 172.861 174.900 0.033 0.000 1.397 188 G CA -0.472 44.660 45.100 0.053 0.000 0.790 188 G HN 0.507 nan 8.290 nan 0.000 0.486 189 D N 0.457 120.853 120.400 -0.005 0.000 2.485 189 D HA 0.537 5.179 4.640 0.004 0.000 0.221 189 D C -0.257 176.067 176.300 0.041 0.000 1.112 189 D CA -0.019 53.981 54.000 -0.000 0.000 0.911 189 D CB 0.155 40.928 40.800 -0.044 0.000 1.019 189 D HN 0.299 nan 8.370 nan 0.000 0.516 190 L N 1.641 122.914 121.223 0.083 0.000 2.370 190 L HA 0.713 5.056 4.340 0.004 0.000 0.266 190 L C 0.259 177.229 176.870 0.166 0.000 1.002 190 L CA -1.276 53.648 54.840 0.140 0.000 0.818 190 L CB 2.036 44.214 42.059 0.198 0.000 1.325 190 L HN 0.248 nan 8.230 nan 0.000 0.418 191 A N 1.854 124.746 122.820 0.121 0.000 2.340 191 A HA 0.616 4.938 4.320 0.004 0.000 0.268 191 A C -0.643 176.944 177.584 0.004 0.000 1.100 191 A CA -0.306 51.769 52.037 0.063 0.000 0.803 191 A CB 1.261 20.279 19.000 0.031 0.000 1.043 191 A HN 0.430 nan 8.150 nan 0.000 0.488 192 V N 1.698 121.553 119.914 -0.098 0.000 2.555 192 V HA 0.640 4.763 4.120 0.004 0.000 0.302 192 V C -0.185 175.803 176.094 -0.177 0.000 1.038 192 V CA -0.191 61.914 62.300 -0.325 0.000 0.887 192 V CB 2.261 33.791 31.823 -0.488 0.000 0.991 192 V HN 0.969 nan 8.190 nan 0.000 0.434 193 T N 6.166 120.622 114.554 -0.163 0.000 2.770 193 T HA 0.493 4.846 4.350 0.004 0.000 0.283 193 T C -0.680 173.987 174.700 -0.055 0.000 0.988 193 T CA -0.395 61.656 62.100 -0.082 0.000 0.957 193 T CB 0.928 69.752 68.868 -0.072 0.000 0.930 193 T HN 0.765 nan 8.240 nan 0.000 0.443 194 E N 2.468 122.652 120.200 -0.027 0.000 2.191 194 E HA 0.568 4.920 4.350 0.004 0.000 0.274 194 E C -0.475 176.162 176.600 0.062 0.000 0.948 194 E CA -0.799 55.615 56.400 0.024 0.000 0.802 194 E CB 1.642 31.355 29.700 0.021 0.000 1.137 194 E HN 0.497 nan 8.360 nan 0.000 0.397 195 D N 0.459 120.931 120.400 0.120 0.000 2.921 195 D HA 0.328 4.971 4.640 0.004 0.000 0.329 195 D C -1.717 174.760 176.300 0.296 0.000 1.293 195 D CA -0.355 53.745 54.000 0.167 0.000 0.964 195 D CB 1.691 42.523 40.800 0.053 0.000 1.435 195 D HN 0.391 nan 8.370 nan 0.000 0.548 196 Y N -0.975 119.367 120.300 0.070 0.000 2.656 196 Y HA 0.694 5.246 4.550 0.004 0.000 0.334 196 Y C -2.197 173.797 175.900 0.156 0.000 1.179 196 Y CA -1.357 56.807 58.100 0.107 0.000 1.050 196 Y CB 0.896 39.404 38.460 0.079 0.000 1.308 196 Y HN 0.223 nan 8.280 nan 0.000 0.456 197 F N 1.034 121.006 119.950 0.036 0.000 2.576 197 F HA 0.785 5.315 4.527 0.004 0.000 0.313 197 F C -1.117 174.749 175.800 0.110 0.000 1.078 197 F CA -0.575 57.382 58.000 -0.073 0.000 0.921 197 F CB 2.505 41.448 39.000 -0.096 0.000 1.232 197 F HN 0.681 nan 8.300 nan 0.000 0.459 198 T N 3.548 117.710 114.554 -0.653 0.000 2.770 198 T HA 0.376 4.729 4.350 0.004 0.000 0.283 198 T C 0.131 174.465 174.700 -0.610 0.000 0.988 198 T CA -0.556 61.337 62.100 -0.345 0.000 0.957 198 T CB 0.994 69.769 68.868 -0.154 0.000 0.930 198 T HN 0.782 nan 8.240 nan 0.000 0.443 202 G N 1.699 110.518 108.800 0.032 0.000 2.157 202 G HA2 -0.197 3.765 3.960 0.004 0.000 0.239 202 G HA3 -0.197 3.765 3.960 0.004 0.000 0.239 202 G C -0.173 174.752 174.900 0.042 0.000 0.982 202 G CA -0.187 44.927 45.100 0.023 0.000 0.650 202 G HN 0.550 nan 8.290 nan 0.000 0.527 203 R N 0.965 121.507 120.500 0.070 0.000 2.202 203 R HA 0.269 4.612 4.340 0.004 0.000 0.334 203 R C 0.413 176.790 176.300 0.129 0.000 1.036 203 R CA -0.639 55.521 56.100 0.100 0.000 0.878 203 R CB 0.087 30.460 30.300 0.123 0.000 1.067 203 R HN 0.512 nan 8.270 nan 0.000 0.457 204 N N 0.905 119.680 118.700 0.125 0.000 2.458 204 N HA 0.046 4.789 4.740 0.004 0.000 0.258 204 N C -0.597 175.056 175.510 0.239 0.000 1.219 204 N CA 0.094 53.254 53.050 0.185 0.000 0.902 204 N CB 0.862 39.413 38.487 0.107 0.000 1.076 204 N HN 0.134 nan 8.380 nan 0.000 0.455 205 V N 2.958 123.066 119.914 0.323 0.000 2.350 205 V HA 0.162 4.285 4.120 0.004 0.000 0.285 205 V C 0.198 176.493 176.094 0.333 0.000 1.014 205 V CA -0.775 61.744 62.300 0.365 0.000 0.831 205 V CB 1.277 33.369 31.823 0.447 0.000 1.000 205 V HN 0.578 nan 8.190 nan 0.000 0.433 206 K N 5.341 125.909 120.400 0.280 0.000 2.379 206 K HA 0.412 4.734 4.320 0.004 0.000 0.284 206 K C -0.726 176.029 176.600 0.260 0.000 1.044 206 K CA -0.209 56.225 56.287 0.244 0.000 0.974 206 K CB 0.459 33.066 32.500 0.179 0.000 0.962 206 K HN 0.603 nan 8.250 nan 0.000 0.474 207 I N 4.414 125.132 120.570 0.247 0.000 2.336 207 I HA 0.164 4.337 4.170 0.004 0.000 0.292 207 I C -0.298 175.947 176.117 0.213 0.000 0.991 207 I CA -0.372 61.080 61.300 0.254 0.000 1.227 207 I CB 1.465 39.613 38.000 0.246 0.000 1.366 207 I HN 0.563 nan 8.210 nan 0.000 0.466 208 E N 6.060 126.366 120.200 0.177 0.000 2.216 208 E HA 0.413 4.765 4.350 0.004 0.000 0.260 208 E C -1.474 175.127 176.600 0.002 0.000 0.880 208 E CA -0.600 55.825 56.400 0.040 0.000 0.765 208 E CB 2.066 31.754 29.700 -0.019 0.000 1.174 208 E HN 0.271 nan 8.360 nan 0.000 0.417 209 F N 2.202 122.015 119.950 -0.229 0.000 2.415 209 F HA 0.345 4.875 4.527 0.004 0.000 0.348 209 F C -0.454 175.171 175.800 -0.291 0.000 1.119 209 F CA -0.574 57.316 58.000 -0.184 0.000 1.069 209 F CB 0.660 39.566 39.000 -0.157 0.000 1.124 209 F HN 0.394 nan 8.300 nan 0.000 0.472 210 Y N 1.470 121.784 120.300 0.023 0.000 2.328 210 Y HA 0.556 5.109 4.550 0.004 0.000 0.337 210 Y C 0.593 176.517 175.900 0.039 0.000 1.008 210 Y CA -0.545 57.569 58.100 0.025 0.000 1.129 210 Y CB 1.744 40.195 38.460 -0.016 0.000 1.185 210 Y HN 0.649 nan 8.280 nan 0.000 0.476 211 T N -2.270 112.386 114.554 0.170 0.000 2.778 211 T HA 0.486 4.839 4.350 0.004 0.000 0.293 211 T C -0.074 174.692 174.700 0.110 0.000 1.144 211 T CA -0.992 61.178 62.100 0.118 0.000 1.010 211 T CB 1.046 69.955 68.868 0.068 0.000 1.325 211 T HN 0.558 nan 8.240 nan 0.000 0.515 212 T N -1.424 113.179 114.554 0.082 0.000 2.802 212 T HA 0.246 4.598 4.350 0.004 0.000 0.305 212 T C 1.139 175.867 174.700 0.047 0.000 1.053 212 T CA 0.056 62.196 62.100 0.067 0.000 1.058 212 T CB 0.502 69.401 68.868 0.052 0.000 0.988 212 T HN 0.857 nan 8.240 nan 0.000 0.539 213 E N 0.755 120.977 120.200 0.038 0.000 2.085 213 E HA -0.145 4.207 4.350 0.004 0.000 0.194 213 E C 2.321 178.931 176.600 0.017 0.000 0.994 213 E CA 1.186 57.601 56.400 0.025 0.000 0.801 213 E CB -0.567 29.145 29.700 0.019 0.000 0.743 213 E HN 0.831 nan 8.360 nan 0.000 0.453 214 A N 0.795 123.625 122.820 0.017 0.000 1.968 214 A HA -0.143 4.180 4.320 0.004 0.000 0.217 214 A C 1.541 179.131 177.584 0.010 0.000 1.169 214 A CA 1.529 53.573 52.037 0.012 0.000 0.638 214 A CB -0.136 18.871 19.000 0.012 0.000 0.812 214 A HN 0.202 nan 8.150 nan 0.000 0.446 215 D N -0.671 119.736 120.400 0.011 0.000 2.347 215 D HA -0.029 4.614 4.640 0.004 0.000 0.213 215 D C 1.687 177.987 176.300 0.000 0.000 0.985 215 D CA 0.664 54.665 54.000 0.003 0.000 0.879 215 D CB -0.073 40.730 40.800 0.004 0.000 0.919 215 D HN 0.586 nan 8.370 nan 0.000 0.526 216 K N 1.008 121.412 120.400 0.005 0.000 2.063 216 K HA -0.126 4.197 4.320 0.004 0.000 0.208 216 K C -0.930 175.662 176.600 -0.013 0.000 1.048 216 K CA 1.016 57.301 56.287 -0.003 0.000 0.928 216 K CB -0.471 32.027 32.500 -0.002 0.000 0.713 216 K HN 0.054 nan 8.250 nan 0.000 0.442 217 P HA -0.115 nan 4.420 nan 0.000 0.228 217 P C -0.026 177.274 177.300 -0.001 0.000 1.151 217 P CA 1.229 64.329 63.100 -0.000 0.000 0.770 217 P CB 0.110 31.816 31.700 0.010 0.000 0.786 218 K N -1.346 119.046 120.400 -0.014 0.000 2.374 218 K HA 0.137 4.460 4.320 0.004 0.000 0.196 218 K C 1.247 177.819 176.600 -0.047 0.000 1.023 218 K CA 0.015 56.285 56.287 -0.029 0.000 1.103 218 K CB 0.188 32.659 32.500 -0.048 0.000 0.848 218 K HN -0.007 nan 8.250 nan 0.000 0.528 219 V N 0.232 120.111 119.914 -0.058 0.000 3.590 219 V HA 0.036 4.159 4.120 0.004 0.000 0.265 219 V C 1.801 177.774 176.094 -0.201 0.000 1.239 219 V CA 0.947 63.175 62.300 -0.119 0.000 1.117 219 V CB 0.258 32.020 31.823 -0.101 0.000 0.818 219 V HN 0.419 nan 8.190 nan 0.000 0.451 220 G N -0.123 108.614 108.800 -0.104 0.000 2.476 220 G HA2 -0.362 3.600 3.960 0.004 0.000 0.218 220 G HA3 -0.362 3.600 3.960 0.004 0.000 0.218 220 G C 1.469 176.331 174.900 -0.064 0.000 1.164 220 G CA 1.366 46.410 45.100 -0.093 0.000 0.768 220 G HN 0.539 nan 8.290 nan 0.000 0.560 221 F N 2.390 122.293 119.950 -0.077 0.000 2.134 221 F HA 0.062 4.592 4.527 0.005 0.000 0.299 221 F C 2.818 178.556 175.800 -0.102 0.000 1.097 221 F CA 1.312 59.303 58.000 -0.014 0.000 1.264 221 F CB -0.267 38.816 39.000 0.138 0.000 1.001 221 F HN 0.236 nan 8.300 nan 0.000 0.479 222 A N -0.158 122.569 122.820 -0.155 0.000 1.908 222 A HA -0.168 4.155 4.320 0.004 0.000 0.218 222 A C 2.295 179.557 177.584 -0.535 0.000 1.181 222 A CA 2.137 54.002 52.037 -0.287 0.000 0.627 222 A CB -1.412 17.483 19.000 -0.176 0.000 0.818 222 A HN 0.275 nan 8.150 nan 0.000 0.445 223 V N 0.232 119.670 119.914 -0.794 0.000 2.295 223 V HA -0.223 3.900 4.120 0.004 0.000 0.246 223 V C 2.553 178.411 176.094 -0.393 0.000 1.049 223 V CA 2.105 63.959 62.300 -0.744 0.000 1.024 223 V CB -0.784 30.650 31.823 -0.647 0.000 0.648 223 V HN 0.512 nan 8.190 nan 0.000 0.447 224 E N 0.358 120.347 120.200 -0.351 0.000 2.110 224 E HA -0.160 4.193 4.350 0.004 0.000 0.193 224 E C 2.487 178.899 176.600 -0.313 0.000 0.988 224 E CA 1.580 57.809 56.400 -0.284 0.000 0.804 224 E CB -0.449 29.104 29.700 -0.246 0.000 0.745 224 E HN 0.570 nan 8.360 nan 0.000 0.458 225 S N 1.176 116.605 115.700 -0.452 0.000 2.368 225 S HA -0.154 4.319 4.470 0.004 0.000 0.225 225 S C 1.930 176.404 174.600 -0.209 0.000 1.030 225 S CA 0.883 58.897 58.200 -0.311 0.000 0.999 225 S CB -0.253 62.735 63.200 -0.354 0.000 0.844 225 S HN 0.155 nan 8.310 nan 0.000 0.459 226 L N 1.841 122.913 121.223 -0.252 0.000 2.017 226 L HA -0.047 4.296 4.340 0.004 0.000 0.208 226 L C 1.919 178.488 176.870 -0.501 0.000 1.073 226 L CA 1.860 56.491 54.840 -0.349 0.000 0.745 226 L CB -0.583 41.373 42.059 -0.171 0.000 0.894 226 L HN 0.073 nan 8.230 nan 0.000 0.432 227 K N -0.357 119.830 120.400 -0.356 0.000 2.063 227 K HA -0.150 4.173 4.320 0.004 0.000 0.208 227 K C 1.959 178.393 176.600 -0.277 0.000 1.048 227 K CA 1.549 57.635 56.287 -0.336 0.000 0.928 227 K CB -0.289 32.143 32.500 -0.114 0.000 0.713 227 K HN 0.367 nan 8.250 nan 0.000 0.442 228 N N 0.822 119.449 118.700 -0.122 0.000 2.104 228 N HA -0.120 4.623 4.740 0.004 0.000 0.190 228 N C 0.800 176.357 175.510 0.077 0.000 1.024 228 N CA 1.157 54.257 53.050 0.084 0.000 0.853 228 N CB -0.467 38.151 38.487 0.217 0.000 1.008 228 N HN 0.197 nan 8.380 nan 0.000 0.424 232 W N 2.829 124.194 121.300 0.109 0.000 2.321 232 W HA -0.139 4.524 4.660 0.005 0.000 0.306 232 W C 1.454 178.065 176.519 0.152 0.000 1.217 232 W CA 2.511 59.961 57.345 0.175 0.000 1.257 232 W CB -0.168 29.482 29.460 0.316 0.000 1.145 232 W HN 0.311 nan 8.180 nan 0.000 0.509 233 D N -0.041 120.548 120.400 0.315 0.000 2.218 233 D HA -0.169 4.473 4.640 0.004 0.000 0.204 233 D C 1.855 178.163 176.300 0.014 0.000 0.976 233 D CA 1.443 55.496 54.000 0.088 0.000 0.853 233 D CB -0.133 40.904 40.800 0.395 0.000 0.939 233 D HN 0.411 nan 8.370 nan 0.000 0.481 234 E N -0.728 119.523 120.200 0.084 0.000 2.028 234 E HA -0.103 4.250 4.350 0.004 0.000 0.190 234 E C 2.159 178.752 176.600 -0.012 0.000 0.984 234 E CA 1.555 57.996 56.400 0.069 0.000 0.800 234 E CB -0.035 29.766 29.700 0.168 0.000 0.758 234 E HN 0.371 nan 8.360 nan 0.000 0.448 235 T N -0.324 114.213 114.554 -0.030 0.000 2.812 235 T HA -0.127 4.225 4.350 0.004 0.000 0.264 235 T C 2.009 176.589 174.700 -0.200 0.000 1.042 235 T CA 1.196 63.251 62.100 -0.074 0.000 1.140 235 T CB -0.053 68.806 68.868 -0.016 0.000 0.870 235 T HN -0.066 nan 8.240 nan 0.000 0.445 236 R N 0.053 120.303 120.500 -0.416 0.000 2.080 236 R HA 0.322 4.664 4.340 0.004 0.000 0.222 236 R C 1.557 177.579 176.300 -0.463 0.000 1.107 236 R CA 1.044 56.818 56.100 -0.542 0.000 0.980 236 R CB -0.478 29.171 30.300 -1.084 0.000 0.879 236 R HN 0.506 nan 8.270 nan 0.000 0.439 237 F N -0.881 118.799 119.950 -0.450 0.000 2.704 237 F HA 0.345 4.874 4.527 0.004 0.000 0.304 237 F C 1.219 176.904 175.800 -0.192 0.000 1.094 237 F CA 0.302 58.152 58.000 -0.251 0.000 1.275 237 F CB 1.139 39.998 39.000 -0.234 0.000 1.073 237 F HN 0.290 nan 8.300 nan 0.000 0.586 238 G N 1.860 110.624 108.800 -0.060 0.000 2.198 238 G HA2 -0.305 3.657 3.960 0.004 0.000 0.260 238 G HA3 -0.305 3.657 3.960 0.004 0.000 0.260 238 G C -0.156 174.652 174.900 -0.152 0.000 1.025 238 G CA -0.083 44.968 45.100 -0.082 0.000 0.769 238 G HN 0.281 nan 8.290 nan 0.000 0.507 239 L N -0.071 121.058 121.223 -0.157 0.000 2.296 239 L HA 0.598 4.940 4.340 0.004 0.000 0.286 239 L C 0.415 177.284 176.870 -0.001 0.000 1.023 239 L CA -0.638 53.993 54.840 -0.348 0.000 0.812 239 L CB 1.590 43.282 42.059 -0.613 0.000 1.223 239 L HN 0.161 nan 8.230 nan 0.000 0.421 240 E N 1.443 121.706 120.200 0.105 0.000 2.191 240 E HA 0.255 4.608 4.350 0.004 0.000 0.274 240 E C -1.278 175.660 176.600 0.562 0.000 0.948 240 E CA -0.865 55.739 56.400 0.340 0.000 0.802 240 E CB 2.158 32.011 29.700 0.255 0.000 1.137 240 E HN 0.316 nan 8.360 nan 0.000 0.397 241 Y N 2.606 123.146 120.300 0.401 0.000 2.457 241 Y HA -0.043 4.510 4.550 0.004 0.000 0.341 241 Y C 0.785 176.827 175.900 0.237 0.000 1.240 241 Y CA 0.228 58.520 58.100 0.319 0.000 1.437 241 Y CB 0.661 39.327 38.460 0.344 0.000 1.328 241 Y HN 0.543 nan 8.280 nan 0.000 0.588 242 D N 2.514 122.530 120.400 -0.640 0.000 2.469 242 D HA 0.138 4.781 4.640 0.004 0.000 0.213 242 D C -0.409 175.707 176.300 -0.307 0.000 1.135 242 D CA 0.273 54.054 54.000 -0.364 0.000 0.834 242 D CB -0.161 40.394 40.800 -0.409 0.000 1.009 242 D HN 0.383 nan 8.370 nan 0.000 0.507 243 L N 0.528 121.345 121.223 -0.677 0.000 2.279 243 L HA 0.366 4.709 4.340 0.004 0.000 0.262 243 L C 0.269 177.205 176.870 0.109 0.000 1.019 243 L CA -0.951 53.802 54.840 -0.144 0.000 0.823 243 L CB 1.888 43.934 42.059 -0.023 0.000 1.358 243 L HN -0.235 nan 8.230 nan 0.000 0.432 244 D N 0.045 120.573 120.400 0.214 0.000 2.342 244 D HA 0.192 4.835 4.640 0.004 0.000 0.221 244 D C -0.266 176.233 176.300 0.331 0.000 1.101 244 D CA 0.125 54.287 54.000 0.270 0.000 0.837 244 D CB 0.557 41.463 40.800 0.176 0.000 0.938 244 D HN 0.207 nan 8.370 nan 0.000 0.508 245 I N -0.582 120.246 120.570 0.429 0.000 2.644 245 I HA 0.605 4.778 4.170 0.004 0.000 0.291 245 I C -2.110 174.312 176.117 0.509 0.000 1.180 245 I CA -1.057 60.478 61.300 0.391 0.000 1.040 245 I CB 1.939 40.123 38.000 0.307 0.000 1.255 245 I HN -0.108 nan 8.210 nan 0.000 0.422 249 V N 3.393 123.181 119.914 -0.210 0.000 2.444 249 V HA 0.843 4.965 4.120 0.004 0.000 0.294 249 V C 0.475 176.538 176.094 -0.052 0.000 1.022 249 V CA -0.327 61.951 62.300 -0.038 0.000 0.850 249 V CB 1.899 33.717 31.823 -0.008 0.000 0.992 249 V HN 1.111 nan 8.190 nan 0.000 0.426 250 A N 4.311 127.120 122.820 -0.018 0.000 2.328 250 A HA 0.765 5.088 4.320 0.004 0.000 0.284 250 A C -0.474 177.023 177.584 -0.145 0.000 1.160 250 A CA -0.384 51.617 52.037 -0.060 0.000 0.818 250 A CB 1.220 20.213 19.000 -0.013 0.000 1.087 250 A HN 1.133 nan 8.150 nan 0.000 0.504 251 V N 3.002 122.739 119.914 -0.296 0.000 2.686 251 V HA 0.620 4.743 4.120 0.004 0.000 0.306 251 V C 0.860 176.809 176.094 -0.242 0.000 1.065 251 V CA 0.308 62.324 62.300 -0.474 0.000 0.894 251 V CB 1.831 33.011 31.823 -1.073 0.000 1.004 251 V HN 1.170 nan 8.190 nan 0.000 0.424 252 G N 3.626 112.330 108.800 -0.160 0.000 2.572 252 G HA2 0.027 3.990 3.960 0.004 0.000 0.216 252 G HA3 0.027 3.990 3.960 0.004 0.000 0.216 252 G C 0.294 175.178 174.900 -0.027 0.000 1.133 252 G CA 0.307 45.363 45.100 -0.073 0.000 0.791 252 G HN 0.723 nan 8.290 nan 0.000 0.538 253 D N -0.101 120.299 120.400 0.001 0.000 2.454 253 D HA 0.453 5.096 4.640 0.004 0.000 0.225 253 D C -1.598 174.814 176.300 0.187 0.000 1.081 253 D CA -0.155 53.885 54.000 0.066 0.000 0.864 253 D CB 1.322 42.185 40.800 0.105 0.000 1.040 253 D HN 0.050 nan 8.370 nan 0.000 0.517 254 F N 2.072 121.976 119.950 -0.076 0.000 2.622 254 F HA 0.184 4.714 4.527 0.004 0.000 0.318 254 F C -0.425 175.315 175.800 -0.100 0.000 1.135 254 F CA -0.817 57.143 58.000 -0.067 0.000 1.015 254 F CB 1.361 40.331 39.000 -0.050 0.000 1.275 254 F HN -0.016 nan 8.300 nan 0.000 0.457 261 N N 2.266 120.910 118.700 -0.092 0.000 2.293 261 N HA -0.047 4.696 4.740 0.004 0.000 0.253 261 N C -0.105 175.276 175.510 -0.214 0.000 1.248 261 N CA 0.142 53.078 53.050 -0.191 0.000 0.845 261 N CB 0.439 38.779 38.487 -0.246 0.000 1.073 261 N HN 0.103 nan 8.380 nan 0.000 0.464 262 K N 1.979 122.241 120.400 -0.230 0.000 2.437 262 K HA 0.053 4.375 4.320 0.004 0.000 0.277 262 K C 1.192 177.692 176.600 -0.167 0.000 1.073 262 K CA 0.935 57.121 56.287 -0.170 0.000 1.105 262 K CB -0.541 31.847 32.500 -0.186 0.000 0.881 262 K HN 0.701 nan 8.250 nan 0.000 0.475 263 G N 3.166 111.907 108.800 -0.098 0.000 2.196 263 G HA2 -0.275 3.688 3.960 0.004 0.000 0.268 263 G HA3 -0.275 3.688 3.960 0.004 0.000 0.268 263 G C -0.113 174.510 174.900 -0.462 0.000 0.975 263 G CA 0.580 45.590 45.100 -0.151 0.000 0.648 263 G HN 0.638 nan 8.290 nan 0.000 0.538 264 L N 1.157 122.091 121.223 -0.481 0.000 2.472 264 L HA 0.434 4.776 4.340 0.004 0.000 0.256 264 L C -0.034 176.600 176.870 -0.393 0.000 1.560 264 L CA -1.084 53.462 54.840 -0.490 0.000 0.805 264 L CB -0.268 41.486 42.059 -0.508 0.000 1.017 264 L HN 0.262 nan 8.230 nan 0.000 0.519 265 N N 2.693 121.148 118.700 -0.408 0.000 2.492 265 N HA 0.405 5.148 4.740 0.004 0.000 0.260 265 N C -0.736 174.742 175.510 -0.054 0.000 1.215 265 N CA 0.024 52.992 53.050 -0.135 0.000 0.923 265 N CB 1.096 39.655 38.487 0.119 0.000 1.092 265 N HN 0.376 nan 8.380 nan 0.000 0.448 266 I N 2.427 122.988 120.570 -0.016 0.000 2.436 266 I HA 0.353 4.525 4.170 0.004 0.000 0.289 266 I C -0.932 175.002 176.117 -0.305 0.000 1.010 266 I CA -0.534 60.711 61.300 -0.092 0.000 1.098 266 I CB 1.142 39.101 38.000 -0.069 0.000 1.266 266 I HN 0.343 nan 8.210 nan 0.000 0.434 267 F N 3.979 123.569 119.950 -0.600 0.000 2.520 267 F HA 0.340 4.869 4.527 0.004 0.000 0.322 267 F C 0.629 176.009 175.800 -0.699 0.000 1.103 267 F CA -0.897 56.764 58.000 -0.564 0.000 0.926 267 F CB 1.634 40.502 39.000 -0.220 0.000 1.154 267 F HN 0.443 nan 8.300 nan 0.000 0.453 268 N N 1.552 119.966 118.700 -0.477 0.000 2.357 268 N HA -0.089 4.653 4.740 0.004 0.000 0.257 268 N C 1.331 176.822 175.510 -0.031 0.000 1.250 268 N CA 0.792 53.756 53.050 -0.143 0.000 0.862 268 N CB 1.241 39.777 38.487 0.081 0.000 1.066 268 N HN 0.856 nan 8.380 nan 0.000 0.468 269 T N 1.798 116.305 114.554 -0.079 0.000 2.760 269 T HA -0.286 4.067 4.350 0.004 0.000 0.269 269 T C 1.616 176.252 174.700 -0.106 0.000 1.047 269 T CA 1.832 63.891 62.100 -0.069 0.000 1.139 269 T CB -0.204 68.615 68.868 -0.082 0.000 0.855 269 T HN 0.776 nan 8.240 nan 0.000 0.471 270 K N 0.442 120.714 120.400 -0.213 0.000 2.280 270 K HA -0.013 4.310 4.320 0.004 0.000 0.202 270 K C 0.908 177.240 176.600 -0.445 0.000 1.047 270 K CA 0.997 57.041 56.287 -0.406 0.000 0.942 270 K CB -0.409 31.724 32.500 -0.612 0.000 0.739 270 K HN 0.415 nan 8.250 nan 0.000 0.457 271 F N 0.509 120.477 119.950 0.030 0.000 2.668 271 F HA 0.236 4.766 4.527 0.004 0.000 0.297 271 F C 1.141 177.055 175.800 0.190 0.000 1.124 271 F CA -0.477 57.591 58.000 0.112 0.000 1.353 271 F CB 1.031 40.120 39.000 0.147 0.000 0.992 271 F HN -0.169 nan 8.300 nan 0.000 0.524 272 V N -0.895 119.127 119.914 0.179 0.000 3.229 272 V HA 0.248 4.371 4.120 0.004 0.000 0.239 272 V C 0.249 176.335 176.094 -0.013 0.000 1.390 272 V CA 0.266 62.612 62.300 0.076 0.000 1.231 272 V CB 0.833 32.670 31.823 0.023 0.000 1.025 272 V HN -0.114 nan 8.190 nan 0.000 0.461 273 L N 1.171 122.349 121.223 -0.075 0.000 2.307 273 L HA 0.869 5.211 4.340 0.004 0.000 0.284 273 L C -0.408 176.311 176.870 -0.251 0.000 1.023 273 L CA -0.195 54.568 54.840 -0.128 0.000 0.810 273 L CB 1.515 43.513 42.059 -0.102 0.000 1.231 273 L HN 0.201 nan 8.230 nan 0.000 0.423 274 A N 2.438 125.073 122.820 -0.309 0.000 2.566 274 A HA 0.744 5.067 4.320 0.004 0.000 0.297 274 A C -1.843 175.579 177.584 -0.270 0.000 1.059 274 A CA -0.628 51.079 52.037 -0.550 0.000 0.691 274 A CB 1.947 20.094 19.000 -1.423 0.000 1.282 274 A HN 0.738 nan 8.150 nan 0.000 0.401 275 D N -0.399 119.932 120.400 -0.115 0.000 2.579 275 D HA 0.498 5.141 4.640 0.004 0.000 0.257 275 D C 0.924 177.401 176.300 0.296 0.000 1.176 275 D CA 0.162 54.260 54.000 0.162 0.000 0.914 275 D CB 0.697 41.563 40.800 0.109 0.000 1.431 275 D HN 0.522 nan 8.370 nan 0.000 0.454 276 S N -0.230 115.673 115.700 0.338 0.000 2.423 276 S HA -0.228 4.245 4.470 0.004 0.000 0.231 276 S C 1.744 176.449 174.600 0.175 0.000 1.014 276 S CA 1.085 59.440 58.200 0.258 0.000 0.965 276 S CB -0.403 62.885 63.200 0.146 0.000 0.785 276 S HN 0.580 nan 8.310 nan 0.000 0.495 277 R N 1.635 122.226 120.500 0.151 0.000 2.115 277 R HA -0.069 4.274 4.340 0.004 0.000 0.230 277 R C 1.907 178.272 176.300 0.109 0.000 1.111 277 R CA 1.838 58.032 56.100 0.158 0.000 0.976 277 R CB -0.394 30.010 30.300 0.175 0.000 0.870 277 R HN 0.677 nan 8.270 nan 0.000 0.445 278 T N -4.021 110.550 114.554 0.029 0.000 3.003 278 T HA 0.487 4.839 4.350 0.004 0.000 0.261 278 T C 0.040 174.642 174.700 -0.162 0.000 1.003 278 T CA -0.046 61.971 62.100 -0.137 0.000 0.917 278 T CB 0.960 69.770 68.868 -0.098 0.000 1.084 278 T HN 0.180 nan 8.240 nan 0.000 0.522 279 A N 1.883 124.657 122.820 -0.076 0.000 2.414 279 A HA 0.739 5.062 4.320 0.004 0.000 0.306 279 A C 0.272 177.882 177.584 0.043 0.000 1.054 279 A CA -0.684 51.272 52.037 -0.135 0.000 0.724 279 A CB 1.315 20.079 19.000 -0.393 0.000 1.267 279 A HN 0.445 nan 8.150 nan 0.000 0.418 280 T N -0.635 113.898 114.554 -0.035 0.000 2.828 280 T HA 0.253 4.606 4.350 0.004 0.000 0.290 280 T C 0.363 175.166 174.700 0.171 0.000 1.019 280 T CA 0.028 62.152 62.100 0.040 0.000 1.031 280 T CB 0.536 69.356 68.868 -0.079 0.000 1.001 280 T HN 0.487 nan 8.240 nan 0.000 0.531 281 D N 1.013 121.498 120.400 0.142 0.000 2.133 281 D HA -0.105 4.537 4.640 0.004 0.000 0.195 281 D C 2.198 178.528 176.300 0.051 0.000 0.997 281 D CA 1.663 55.756 54.000 0.154 0.000 0.840 281 D CB -0.750 40.156 40.800 0.176 0.000 0.947 281 D HN 0.699 nan 8.370 nan 0.000 0.452 282 T N 1.401 115.967 114.554 0.021 0.000 2.720 282 T HA -0.142 4.211 4.350 0.004 0.000 0.268 282 T C 1.294 175.959 174.700 -0.059 0.000 1.037 282 T CA 1.350 63.439 62.100 -0.019 0.000 1.144 282 T CB -0.285 68.561 68.868 -0.036 0.000 0.864 282 T HN 0.103 nan 8.240 nan 0.000 0.444 283 D N 0.752 121.082 120.400 -0.117 0.000 2.116 283 D HA -0.087 4.556 4.640 0.004 0.000 0.193 283 D C 1.834 177.997 176.300 -0.228 0.000 0.998 283 D CA 1.106 54.989 54.000 -0.195 0.000 0.836 283 D CB -0.610 40.006 40.800 -0.306 0.000 0.951 283 D HN 0.378 nan 8.370 nan 0.000 0.449 284 F N 1.390 121.092 119.950 -0.413 0.000 2.095 284 F HA -0.141 4.389 4.527 0.004 0.000 0.298 284 F C 2.526 178.068 175.800 -0.430 0.000 1.104 284 F CA 1.240 58.803 58.000 -0.728 0.000 1.232 284 F CB -0.364 37.718 39.000 -1.530 0.000 0.987 284 F HN -0.035 nan 8.300 nan 0.000 0.475 285 E N -0.180 119.913 120.200 -0.178 0.000 2.097 285 E HA -0.203 4.149 4.350 0.004 0.000 0.196 285 E C 2.571 179.213 176.600 0.069 0.000 1.000 285 E CA 1.080 57.469 56.400 -0.019 0.000 0.804 285 E CB -0.666 29.037 29.700 0.005 0.000 0.740 285 E HN 0.494 nan 8.360 nan 0.000 0.454 286 G N 1.014 109.865 108.800 0.085 0.000 2.418 286 G HA2 -0.240 3.722 3.960 0.004 0.000 0.217 286 G HA3 -0.240 3.722 3.960 0.004 0.000 0.217 286 G C 1.588 176.639 174.900 0.253 0.000 1.158 286 G CA 0.656 45.871 45.100 0.191 0.000 0.771 286 G HN 0.122 nan 8.290 nan 0.000 0.545 287 I N 0.465 121.190 120.570 0.260 0.000 2.179 287 I HA -0.153 4.020 4.170 0.004 0.000 0.242 287 I C 2.660 178.941 176.117 0.274 0.000 1.088 287 I CA 1.571 63.055 61.300 0.306 0.000 1.357 287 I CB -0.198 37.961 38.000 0.265 0.000 1.051 287 I HN 0.307 nan 8.210 nan 0.000 0.409 288 E N 0.869 121.256 120.200 0.313 0.000 2.085 288 E HA -0.216 4.136 4.350 0.004 0.000 0.194 288 E C 2.200 178.957 176.600 0.262 0.000 0.994 288 E CA 1.838 58.385 56.400 0.245 0.000 0.801 288 E CB 0.089 29.932 29.700 0.238 0.000 0.743 288 E HN 0.437 nan 8.360 nan 0.000 0.453 289 S N 0.030 115.834 115.700 0.174 0.000 2.356 289 S HA -0.128 4.344 4.470 0.004 0.000 0.223 289 S C 2.061 176.714 174.600 0.088 0.000 1.032 289 S CA 1.277 59.564 58.200 0.145 0.000 1.005 289 S CB -0.145 63.082 63.200 0.046 0.000 0.867 289 S HN 0.155 nan 8.310 nan 0.000 0.449 290 V N 1.318 121.237 119.914 0.008 0.000 2.407 290 V HA -0.050 4.072 4.120 0.004 0.000 0.245 290 V C 2.346 178.527 176.094 0.145 0.000 1.041 290 V CA 0.900 63.150 62.300 -0.084 0.000 1.040 290 V CB -0.644 30.916 31.823 -0.438 0.000 0.671 290 V HN 0.300 nan 8.190 nan 0.000 0.455 291 V N 1.160 121.242 119.914 0.280 0.000 2.252 291 V HA -0.261 3.862 4.120 0.004 0.000 0.249 291 V C 2.628 178.698 176.094 -0.039 0.000 1.056 291 V CA 2.481 64.952 62.300 0.285 0.000 1.022 291 V CB -1.425 30.475 31.823 0.127 0.000 0.641 291 V HN 0.610 nan 8.190 nan 0.000 0.445 292 G N -1.340 107.300 108.800 -0.268 0.000 2.511 292 G HA2 -0.387 3.575 3.960 0.004 0.000 0.216 292 G HA3 -0.387 3.575 3.960 0.004 0.000 0.216 292 G C 1.330 175.545 174.900 -1.141 0.000 1.218 292 G CA 1.471 45.972 45.100 -0.998 0.000 0.788 292 G HN 0.656 nan 8.290 nan 0.000 0.560 293 H N 0.766 119.564 119.070 -0.453 0.000 2.266 293 H HA -0.180 4.379 4.556 0.005 0.000 0.286 293 H C 2.599 177.806 175.328 -0.201 0.000 1.102 293 H CA 2.540 58.465 56.048 -0.204 0.000 1.182 293 H CB 0.120 29.822 29.762 -0.100 0.000 1.345 293 H HN 0.304 nan 8.280 nan 0.000 0.485 294 E N -0.473 119.789 120.200 0.103 0.000 2.077 294 E HA -0.199 4.154 4.350 0.004 0.000 0.193 294 E C 2.176 178.872 176.600 0.159 0.000 0.989 294 E CA 1.171 57.702 56.400 0.217 0.000 0.800 294 E CB -0.827 29.007 29.700 0.223 0.000 0.746 294 E HN 0.654 nan 8.360 nan 0.000 0.452 295 Y N 0.941 121.166 120.300 -0.124 0.000 2.181 295 Y HA -0.239 4.314 4.550 0.004 0.000 0.288 295 Y C 1.962 177.789 175.900 -0.122 0.000 1.146 295 Y CA 1.375 59.321 58.100 -0.257 0.000 1.164 295 Y CB -0.356 37.728 38.460 -0.626 0.000 0.982 295 Y HN -0.114 nan 8.280 nan 0.000 0.515 296 F N -0.626 119.225 119.950 -0.165 0.000 2.269 296 F HA -0.197 4.332 4.527 0.004 0.000 0.301 296 F C 2.476 178.167 175.800 -0.182 0.000 1.082 296 F CA 1.293 59.160 58.000 -0.222 0.000 1.360 296 F CB -1.351 37.524 39.000 -0.209 0.000 1.041 296 F HN 0.226 nan 8.300 nan 0.000 0.512 297 H N -0.172 118.887 119.070 -0.018 0.000 2.489 297 H HA -0.135 4.423 4.556 0.004 0.000 0.293 297 H C 2.013 177.319 175.328 -0.036 0.000 1.066 297 H CA 1.113 57.157 56.048 -0.007 0.000 1.305 297 H CB -0.561 29.207 29.762 0.011 0.000 1.386 297 H HN 0.250 nan 8.280 nan 0.000 0.551 298 N N -0.059 118.626 118.700 -0.026 0.000 2.149 298 N HA -0.179 4.564 4.740 0.004 0.000 0.188 298 N C 1.624 176.922 175.510 -0.353 0.000 1.019 298 N CA 1.515 54.445 53.050 -0.200 0.000 0.857 298 N CB -0.128 38.175 38.487 -0.306 0.000 0.997 298 N HN 0.263 nan 8.380 nan 0.000 0.426 299 W N -0.211 121.031 121.300 -0.097 0.000 2.601 299 W HA 0.198 4.860 4.660 0.004 0.000 0.292 299 W C 0.769 177.420 176.519 0.220 0.000 1.153 299 W CA 0.837 58.152 57.345 -0.050 0.000 1.448 299 W CB -0.687 28.632 29.460 -0.235 0.000 1.113 299 W HN -0.038 nan 8.180 nan 0.000 0.548 300 T N -1.104 113.731 114.554 0.469 0.000 3.579 300 T HA 0.614 4.967 4.350 0.004 0.000 0.328 300 T C 0.661 175.585 174.700 0.374 0.000 1.481 300 T CA 0.269 62.633 62.100 0.440 0.000 1.144 300 T CB 0.020 69.067 68.868 0.298 0.000 1.205 300 T HN 0.373 nan 8.240 nan 0.000 0.812 301 G N 3.327 112.318 108.800 0.317 0.000 3.514 301 G HA2 -0.206 3.757 3.960 0.004 0.000 0.197 301 G HA3 -0.206 3.757 3.960 0.004 0.000 0.197 301 G C 0.868 175.846 174.900 0.131 0.000 1.098 301 G CA -0.110 45.140 45.100 0.250 0.000 0.884 301 G HN 0.501 nan 8.290 nan 0.000 0.433 302 N N 0.555 119.279 118.700 0.041 0.000 2.322 302 N HA 0.153 4.896 4.740 0.004 0.000 0.186 302 N C 2.099 177.520 175.510 -0.149 0.000 1.037 302 N CA 0.778 53.765 53.050 -0.104 0.000 0.869 302 N CB -0.286 38.086 38.487 -0.193 0.000 1.036 302 N HN 0.116 nan 8.380 nan 0.000 0.439 303 R N 0.504 120.860 120.500 -0.240 0.000 2.092 303 R HA 0.111 4.454 4.340 0.004 0.000 0.231 303 R C -0.083 176.211 176.300 -0.010 0.000 1.119 303 R CA 0.456 56.385 56.100 -0.286 0.000 0.970 303 R CB -0.302 29.579 30.300 -0.698 0.000 0.864 303 R HN 0.085 nan 8.270 nan 0.000 0.440 304 V N 1.026 121.016 119.914 0.127 0.000 2.378 304 V HA 0.208 4.330 4.120 0.004 0.000 0.288 304 V C 0.353 176.526 176.094 0.132 0.000 1.016 304 V CA -0.419 61.960 62.300 0.132 0.000 0.840 304 V CB 1.877 33.774 31.823 0.122 0.000 0.994 304 V HN 0.114 nan 8.190 nan 0.000 0.431 305 T N 3.642 118.243 114.554 0.078 0.000 2.855 305 T HA 0.425 4.777 4.350 0.004 0.000 0.275 305 T C -0.357 174.357 174.700 0.023 0.000 1.022 305 T CA -0.288 61.863 62.100 0.085 0.000 0.977 305 T CB 1.338 70.263 68.868 0.096 0.000 1.559 305 T HN 0.676 nan 8.240 nan 0.000 0.600 306 C N 2.213 121.484 119.300 -0.049 0.000 2.303 306 C HA 0.514 4.976 4.460 0.004 0.000 0.326 306 C C 1.935 176.797 174.990 -0.214 0.000 1.285 306 C CA -0.726 58.193 59.018 -0.165 0.000 1.675 306 C CB 0.532 28.081 27.740 -0.319 0.000 2.289 306 C HN 1.031 nan 8.230 nan 0.000 0.512 307 R N 1.434 121.826 120.500 -0.179 0.000 2.127 307 R HA -0.110 4.232 4.340 0.004 0.000 0.238 307 R C -0.006 176.189 176.300 -0.175 0.000 1.134 307 R CA 2.094 58.089 56.100 -0.175 0.000 0.975 307 R CB 0.134 30.273 30.300 -0.268 0.000 0.865 307 R HN 1.002 nan 8.270 nan 0.000 0.447 308 D N -5.039 115.217 120.400 -0.240 0.000 2.671 308 D HA 0.044 4.686 4.640 0.004 0.000 0.273 308 D C -0.404 175.707 176.300 -0.316 0.000 1.264 308 D CA -0.791 53.097 54.000 -0.187 0.000 0.788 308 D CB -0.522 40.390 40.800 0.186 0.000 1.324 308 D HN -0.051 nan 8.370 nan 0.000 0.424 309 W N -0.759 120.499 121.300 -0.070 0.000 2.595 309 W HA 0.108 4.771 4.660 0.005 0.000 0.257 309 W C 1.259 177.596 176.519 -0.305 0.000 1.267 309 W CA -0.339 56.846 57.345 -0.266 0.000 1.300 309 W CB -0.292 28.912 29.460 -0.427 0.000 1.120 309 W HN 0.307 nan 8.180 nan 0.000 0.618 310 F N 0.373 120.457 119.950 0.224 0.000 2.250 310 F HA -0.231 4.298 4.527 0.004 0.000 0.301 310 F C 2.212 178.053 175.800 0.068 0.000 1.077 310 F CA 0.974 59.058 58.000 0.140 0.000 1.348 310 F CB -0.872 38.203 39.000 0.124 0.000 1.040 310 F HN -0.090 nan 8.300 nan 0.000 0.509 311 Q N 0.388 120.278 119.800 0.151 0.000 2.373 311 Q HA 0.033 4.376 4.340 0.004 0.000 0.206 311 Q C 2.113 178.132 176.000 0.031 0.000 0.942 311 Q CA 0.099 55.933 55.803 0.052 0.000 0.953 311 Q CB -0.526 28.189 28.738 -0.037 0.000 1.022 311 Q HN 0.416 nan 8.270 nan 0.000 0.502 312 L N 0.679 121.936 121.223 0.057 0.000 2.051 312 L HA -0.220 4.123 4.340 0.004 0.000 0.214 312 L C 2.152 179.017 176.870 -0.008 0.000 1.076 312 L CA 1.962 56.819 54.840 0.029 0.000 0.758 312 L CB -0.897 41.118 42.059 -0.073 0.000 0.890 312 L HN 0.121 nan 8.230 nan 0.000 0.433 313 S N -1.404 114.318 115.700 0.037 0.000 2.447 313 S HA -0.139 4.334 4.470 0.004 0.000 0.233 313 S C 1.934 176.553 174.600 0.032 0.000 1.006 313 S CA 1.016 59.246 58.200 0.050 0.000 0.957 313 S CB -0.522 62.776 63.200 0.163 0.000 0.773 313 S HN 0.464 nan 8.310 nan 0.000 0.507 314 L N 2.469 123.700 121.223 0.013 0.000 2.051 314 L HA -0.202 4.140 4.340 0.004 0.000 0.214 314 L C 2.165 178.980 176.870 -0.091 0.000 1.076 314 L CA 2.470 57.265 54.840 -0.076 0.000 0.758 314 L CB -0.575 41.455 42.059 -0.047 0.000 0.890 314 L HN 0.466 nan 8.230 nan 0.000 0.433 315 K N -2.529 117.875 120.400 0.007 0.000 2.202 315 K HA 0.014 4.336 4.320 0.004 0.000 0.201 315 K C 1.757 178.411 176.600 0.089 0.000 1.051 315 K CA 0.671 57.018 56.287 0.101 0.000 0.977 315 K CB -0.376 32.249 32.500 0.209 0.000 0.792 315 K HN 0.185 nan 8.250 nan 0.000 0.469 316 E N 1.408 121.602 120.200 -0.010 0.000 2.076 316 E HA -0.050 4.303 4.350 0.004 0.000 0.190 316 E C 2.302 178.829 176.600 -0.121 0.000 0.979 316 E CA 1.449 57.739 56.400 -0.184 0.000 0.807 316 E CB -0.472 28.826 29.700 -0.669 0.000 0.761 316 E HN 0.540 nan 8.360 nan 0.000 0.454 317 G N 1.670 110.441 108.800 -0.048 0.000 2.418 317 G HA2 -0.227 3.735 3.960 0.004 0.000 0.217 317 G HA3 -0.227 3.735 3.960 0.004 0.000 0.217 317 G C 1.624 176.565 174.900 0.068 0.000 1.158 317 G CA 0.793 45.920 45.100 0.046 0.000 0.771 317 G HN 0.223 nan 8.290 nan 0.000 0.545 318 L N 0.984 122.191 121.223 -0.026 0.000 2.056 318 L HA 0.037 4.380 4.340 0.004 0.000 0.207 318 L C 2.793 179.695 176.870 0.053 0.000 1.078 318 L CA 2.525 57.355 54.840 -0.017 0.000 0.749 318 L CB -0.906 40.988 42.059 -0.275 0.000 0.901 318 L HN 0.175 nan 8.230 nan 0.000 0.433 319 T N -1.433 113.065 114.554 -0.094 0.000 2.904 319 T HA -0.085 4.267 4.350 0.004 0.000 0.267 319 T C 2.001 176.613 174.700 -0.147 0.000 1.059 319 T CA 1.255 63.166 62.100 -0.314 0.000 1.137 319 T CB -0.241 68.046 68.868 -0.969 0.000 0.879 319 T HN 0.168 nan 8.240 nan 0.000 0.467 320 V N 1.406 121.376 119.914 0.092 0.000 2.261 320 V HA -0.133 3.989 4.120 0.004 0.000 0.246 320 V C 1.993 178.204 176.094 0.195 0.000 1.047 320 V CA 1.682 64.137 62.300 0.258 0.000 1.015 320 V CB -0.723 31.268 31.823 0.280 0.000 0.642 320 V HN 0.463 nan 8.190 nan 0.000 0.446 321 F N 1.319 121.313 119.950 0.073 0.000 2.087 321 F HA -0.283 4.247 4.527 0.004 0.000 0.299 321 F C 2.536 178.373 175.800 0.062 0.000 1.100 321 F CA 2.118 60.156 58.000 0.063 0.000 1.226 321 F CB -0.329 38.725 39.000 0.091 0.000 0.983 321 F HN -0.023 nan 8.300 nan 0.000 0.479 322 R N 0.306 120.818 120.500 0.019 0.000 2.083 322 R HA -0.205 4.137 4.340 0.004 0.000 0.237 322 R C 2.050 178.247 176.300 -0.172 0.000 1.137 322 R CA 1.932 57.944 56.100 -0.147 0.000 0.951 322 R CB -0.808 29.343 30.300 -0.248 0.000 0.851 322 R HN 0.602 nan 8.270 nan 0.000 0.434 323 D N -0.210 120.255 120.400 0.108 0.000 2.178 323 D HA -0.184 4.459 4.640 0.004 0.000 0.202 323 D C 1.619 177.958 176.300 0.065 0.000 0.974 323 D CA 1.201 55.363 54.000 0.269 0.000 0.841 323 D CB -0.208 40.795 40.800 0.339 0.000 0.953 323 D HN 0.251 nan 8.370 nan 0.000 0.478 324 Q N -0.348 119.423 119.800 -0.048 0.000 2.084 324 Q HA -0.118 4.224 4.340 0.004 0.000 0.202 324 Q C 1.998 177.860 176.000 -0.230 0.000 0.978 324 Q CA 1.231 56.958 55.803 -0.126 0.000 0.844 324 Q CB 0.004 28.667 28.738 -0.124 0.000 0.898 324 Q HN 0.332 nan 8.270 nan 0.000 0.426 325 E N 0.168 120.161 120.200 -0.344 0.000 2.106 325 E HA -0.152 4.200 4.350 0.004 0.000 0.192 325 E C 1.680 178.141 176.600 -0.233 0.000 0.984 325 E CA 0.665 56.907 56.400 -0.264 0.000 0.806 325 E CB -0.225 29.337 29.700 -0.229 0.000 0.750 325 E HN 0.295 nan 8.360 nan 0.000 0.458 326 F N 1.945 121.409 119.950 -0.811 0.000 2.102 326 F HA -0.162 4.367 4.527 0.004 0.000 0.298 326 F C 2.322 177.779 175.800 -0.572 0.000 1.105 326 F CA 1.547 58.750 58.000 -1.327 0.000 1.239 326 F CB -0.418 37.806 39.000 -1.294 0.000 0.991 326 F HN -0.142 nan 8.300 nan 0.000 0.474 327 S N 0.284 115.660 115.700 -0.540 0.000 2.382 327 S HA -0.071 4.401 4.470 0.004 0.000 0.228 327 S C 2.261 176.662 174.600 -0.331 0.000 1.027 327 S CA 1.094 59.005 58.200 -0.482 0.000 0.991 327 S CB -1.123 61.945 63.200 -0.220 0.000 0.823 327 S HN 0.629 nan 8.310 nan 0.000 0.469 328 G N 1.380 110.032 108.800 -0.246 0.000 2.403 328 G HA2 -0.144 3.819 3.960 0.004 0.000 0.216 328 G HA3 -0.144 3.819 3.960 0.004 0.000 0.216 328 G C 0.977 175.797 174.900 -0.133 0.000 1.154 328 G CA 0.627 45.630 45.100 -0.162 0.000 0.784 328 G HN 0.359 nan 8.290 nan 0.000 0.538 329 D N 0.286 120.609 120.400 -0.129 0.000 2.178 329 D HA -0.031 4.612 4.640 0.004 0.000 0.202 329 D C 2.674 178.917 176.300 -0.094 0.000 0.974 329 D CA 0.349 54.334 54.000 -0.026 0.000 0.841 329 D CB -0.039 40.876 40.800 0.192 0.000 0.953 329 D HN 0.082 nan 8.370 nan 0.000 0.478 330 R N 0.567 120.910 120.500 -0.262 0.000 2.080 330 R HA 0.103 4.445 4.340 0.004 0.000 0.236 330 R C 0.759 176.982 176.300 -0.130 0.000 1.137 330 R CA 1.073 57.031 56.100 -0.237 0.000 0.943 330 R CB -0.369 29.697 30.300 -0.390 0.000 0.846 330 R HN 0.140 nan 8.270 nan 0.000 0.431 331 A N -1.300 121.441 122.820 -0.130 0.000 2.599 331 A HA 0.419 4.741 4.320 0.004 0.000 0.294 331 A C -0.455 177.076 177.584 -0.088 0.000 1.055 331 A CA -0.300 51.684 52.037 -0.089 0.000 0.683 331 A CB 1.205 20.165 19.000 -0.067 0.000 1.278 331 A HN 0.208 nan 8.150 nan 0.000 0.412 332 S N 0.015 115.666 115.700 -0.081 0.000 3.524 332 S HA -0.198 4.274 4.470 0.004 0.000 0.377 332 S C 1.276 175.822 174.600 -0.090 0.000 0.949 332 S CA 1.250 59.400 58.200 -0.085 0.000 1.264 332 S CB -1.175 61.981 63.200 -0.074 0.000 0.918 332 S HN 0.994 nan 8.310 nan 0.000 0.517 333 R N 1.428 121.874 120.500 -0.090 0.000 2.080 333 R HA -0.187 4.155 4.340 0.004 0.000 0.236 333 R C 2.408 178.651 176.300 -0.095 0.000 1.137 333 R CA 1.955 58.001 56.100 -0.091 0.000 0.943 333 R CB -0.664 29.591 30.300 -0.075 0.000 0.846 333 R HN 0.639 nan 8.270 nan 0.000 0.431 334 A N 0.136 122.890 122.820 -0.110 0.000 1.877 334 A HA -0.105 4.218 4.320 0.004 0.000 0.216 334 A C 2.321 179.833 177.584 -0.120 0.000 1.186 334 A CA 1.602 53.560 52.037 -0.132 0.000 0.620 334 A CB -0.683 18.190 19.000 -0.211 0.000 0.822 334 A HN 0.253 nan 8.150 nan 0.000 0.443 335 V N 0.105 119.958 119.914 -0.102 0.000 2.332 335 V HA -0.300 3.822 4.120 0.004 0.000 0.248 335 V C 2.697 178.741 176.094 -0.084 0.000 1.055 335 V CA 2.414 64.685 62.300 -0.047 0.000 1.038 335 V CB -0.783 31.029 31.823 -0.019 0.000 0.651 335 V HN 0.549 nan 8.190 nan 0.000 0.450 336 R N -0.517 119.930 120.500 -0.088 0.000 2.092 336 R HA -0.147 4.195 4.340 0.004 0.000 0.231 336 R C 2.444 178.680 176.300 -0.108 0.000 1.119 336 R CA 1.383 57.428 56.100 -0.091 0.000 0.970 336 R CB -0.365 29.884 30.300 -0.086 0.000 0.864 336 R HN 0.353 nan 8.270 nan 0.000 0.440 337 R N 1.436 121.872 120.500 -0.106 0.000 2.083 337 R HA -0.111 4.231 4.340 0.004 0.000 0.237 337 R C 1.985 178.186 176.300 -0.165 0.000 1.137 337 R CA 1.568 57.606 56.100 -0.103 0.000 0.951 337 R CB -0.490 29.770 30.300 -0.067 0.000 0.851 337 R HN 0.080 nan 8.270 nan 0.000 0.434 338 I N 1.264 121.703 120.570 -0.218 0.000 2.163 338 I HA -0.262 3.911 4.170 0.004 0.000 0.243 338 I C 2.034 177.851 176.117 -0.500 0.000 1.085 338 I CA 1.752 62.778 61.300 -0.456 0.000 1.347 338 I CB -1.312 36.367 38.000 -0.535 0.000 1.044 338 I HN 0.373 nan 8.210 nan 0.000 0.408 339 E N 0.868 120.888 120.200 -0.299 0.000 2.085 339 E HA -0.226 4.126 4.350 0.004 0.000 0.194 339 E C 1.916 178.417 176.600 -0.166 0.000 0.994 339 E CA 1.280 57.557 56.400 -0.206 0.000 0.801 339 E CB -0.193 29.438 29.700 -0.115 0.000 0.743 339 E HN 0.536 nan 8.360 nan 0.000 0.453 340 N N 0.828 119.442 118.700 -0.143 0.000 2.166 340 N HA -0.124 4.619 4.740 0.004 0.000 0.186 340 N C 1.966 177.391 175.510 -0.142 0.000 1.019 340 N CA 0.945 53.937 53.050 -0.096 0.000 0.856 340 N CB -0.199 38.257 38.487 -0.052 0.000 0.993 340 N HN 0.204 nan 8.380 nan 0.000 0.426 341 I N 0.997 121.413 120.570 -0.256 0.000 2.142 341 I HA -0.223 3.950 4.170 0.004 0.000 0.240 341 I C 2.677 178.577 176.117 -0.362 0.000 1.078 341 I CA 0.908 61.950 61.300 -0.429 0.000 1.343 341 I CB -0.210 37.433 38.000 -0.595 0.000 1.046 341 I HN 0.071 nan 8.210 nan 0.000 0.405 342 R N 0.874 121.195 120.500 -0.299 0.000 2.091 342 R HA -0.239 4.103 4.340 0.004 0.000 0.238 342 R C 2.380 178.629 176.300 -0.085 0.000 1.136 342 R CA 1.756 57.809 56.100 -0.077 0.000 0.959 342 R CB -0.335 29.927 30.300 -0.063 0.000 0.856 342 R HN 0.252 nan 8.270 nan 0.000 0.437 343 L N 0.777 121.957 121.223 -0.071 0.000 2.046 343 L HA -0.135 4.208 4.340 0.004 0.000 0.208 343 L C 2.148 179.028 176.870 0.017 0.000 1.077 343 L CA 1.492 56.351 54.840 0.031 0.000 0.747 343 L CB -0.485 41.606 42.059 0.053 0.000 0.896 343 L HN 0.275 nan 8.230 nan 0.000 0.432 344 L N -0.477 120.710 121.223 -0.060 0.000 2.017 344 L HA -0.179 4.164 4.340 0.004 0.000 0.208 344 L C 2.689 179.427 176.870 -0.219 0.000 1.073 344 L CA 1.668 56.479 54.840 -0.049 0.000 0.745 344 L CB -0.458 41.587 42.059 -0.024 0.000 0.894 344 L HN 0.214 nan 8.230 nan 0.000 0.432 345 R N -1.023 119.195 120.500 -0.470 0.000 2.092 345 R HA -0.163 4.179 4.340 0.004 0.000 0.231 345 R C 2.275 178.388 176.300 -0.313 0.000 1.119 345 R CA 1.502 57.156 56.100 -0.744 0.000 0.970 345 R CB -0.370 29.526 30.300 -0.672 0.000 0.864 345 R HN 0.561 nan 8.270 nan 0.000 0.440 346 Q N -0.359 119.285 119.800 -0.261 0.000 2.123 346 Q HA -0.136 4.207 4.340 0.004 0.000 0.199 346 Q C 1.231 176.954 176.000 -0.462 0.000 0.966 346 Q CA 1.235 56.807 55.803 -0.385 0.000 0.845 346 Q CB 0.329 28.757 28.738 -0.517 0.000 0.907 346 Q HN 0.493 nan 8.270 nan 0.000 0.439 347 H N -1.771 117.310 119.070 0.018 0.000 2.800 347 H HA 0.110 4.669 4.556 0.004 0.000 0.257 347 H C 1.610 177.002 175.328 0.107 0.000 0.967 347 H CA 0.262 56.342 56.048 0.053 0.000 1.192 347 H CB 0.458 30.235 29.762 0.025 0.000 1.441 347 H HN 0.207 nan 8.280 nan 0.000 0.461 348 Q N 0.533 120.474 119.800 0.235 0.000 2.123 348 Q HA -0.033 4.309 4.340 0.004 0.000 0.196 348 Q C 1.833 178.047 176.000 0.357 0.000 0.958 348 Q CA 0.628 56.591 55.803 0.267 0.000 0.841 348 Q CB 0.000 28.898 28.738 0.266 0.000 0.915 348 Q HN 0.160 nan 8.270 nan 0.000 0.455 349 F N 1.264 121.266 119.950 0.087 0.000 2.095 349 F HA -0.122 4.407 4.527 0.004 0.000 0.298 349 F C -0.553 175.315 175.800 0.113 0.000 1.104 349 F CA 1.044 59.100 58.000 0.093 0.000 1.232 349 F CB -1.980 37.082 39.000 0.104 0.000 0.987 349 F HN 0.223 nan 8.300 nan 0.000 0.475 350 P HA -0.193 nan 4.420 nan 0.000 0.218 350 P C 1.571 178.986 177.300 0.191 0.000 1.148 350 P CA 1.702 64.940 63.100 0.229 0.000 0.822 350 P CB -0.117 31.707 31.700 0.207 0.000 0.784 351 E N -0.345 119.964 120.200 0.183 0.000 2.051 351 E HA -0.216 4.136 4.350 0.004 0.000 0.192 351 E C 1.592 178.262 176.600 0.115 0.000 0.991 351 E CA 1.166 57.655 56.400 0.149 0.000 0.799 351 E CB -0.414 29.372 29.700 0.143 0.000 0.748 351 E HN 0.039 nan 8.360 nan 0.000 0.449 352 D N -0.586 119.870 120.400 0.092 0.000 2.219 352 D HA -0.049 4.594 4.640 0.004 0.000 0.205 352 D C 1.312 177.643 176.300 0.053 0.000 0.970 352 D CA 1.012 55.033 54.000 0.035 0.000 0.851 352 D CB 0.087 40.870 40.800 -0.029 0.000 0.943 352 D HN 0.266 nan 8.370 nan 0.000 0.488 353 A N -0.281 122.594 122.820 0.092 0.000 2.275 353 A HA 0.448 4.771 4.320 0.004 0.000 0.212 353 A C 1.238 178.886 177.584 0.107 0.000 1.201 353 A CA 0.598 52.697 52.037 0.102 0.000 0.843 353 A CB 0.131 19.217 19.000 0.143 0.000 0.873 353 A HN 0.205 nan 8.150 nan 0.000 0.492 354 G N -0.910 107.959 108.800 0.115 0.000 2.820 354 G HA2 0.493 4.455 3.960 0.004 0.000 0.291 354 G HA3 0.493 4.455 3.960 0.004 0.000 0.291 354 G C -1.630 173.336 174.900 0.110 0.000 1.323 354 G CA -0.845 44.324 45.100 0.116 0.000 1.055 354 G HN -0.029 nan 8.290 nan 0.000 0.520 355 P HA -0.022 nan 4.420 nan 0.000 0.229 355 P C 1.369 178.742 177.300 0.121 0.000 1.160 355 P CA 1.405 64.565 63.100 0.101 0.000 0.777 355 P CB 0.146 31.898 31.700 0.086 0.000 0.814 356 T N -3.731 110.903 114.554 0.133 0.000 3.163 356 T HA 0.496 4.848 4.350 0.004 0.000 0.252 356 T C 0.864 175.736 174.700 0.287 0.000 1.056 356 T CA -0.415 61.780 62.100 0.159 0.000 0.947 356 T CB -0.627 68.293 68.868 0.088 0.000 1.016 356 T HN 0.073 nan 8.240 nan 0.000 0.554 357 A N 2.948 125.906 122.820 0.230 0.000 2.520 357 A HA 0.470 4.792 4.320 0.004 0.000 0.235 357 A C 0.419 178.200 177.584 0.329 0.000 1.065 357 A CA -0.163 51.997 52.037 0.205 0.000 0.764 357 A CB -0.151 18.917 19.000 0.113 0.000 1.002 357 A HN 0.855 nan 8.150 nan 0.000 0.502 358 H N -0.738 118.447 119.070 0.191 0.000 3.037 358 H HA 0.583 5.141 4.556 0.004 0.000 0.355 358 H C -3.410 172.037 175.328 0.199 0.000 1.263 358 H CA -2.387 53.804 56.048 0.239 0.000 1.129 358 H CB 0.466 30.472 29.762 0.407 0.000 1.861 358 H HN 0.349 nan 8.280 nan 0.000 0.546 359 P HA -0.004 nan 4.420 nan 0.000 0.270 359 P C 1.387 178.828 177.300 0.235 0.000 1.223 359 P CA -0.406 62.801 63.100 0.178 0.000 0.785 359 P CB 1.118 32.932 31.700 0.190 0.000 0.923 360 V N 0.793 120.825 119.914 0.197 0.000 2.380 360 V HA -0.193 3.930 4.120 0.004 0.000 0.251 360 V C 1.464 177.751 176.094 0.321 0.000 1.063 360 V CA 1.706 64.149 62.300 0.238 0.000 1.055 360 V CB -0.747 31.180 31.823 0.173 0.000 0.657 360 V HN 0.539 nan 8.190 nan 0.000 0.455 361 R N 0.776 121.479 120.500 0.338 0.000 2.312 361 R HA 0.286 4.629 4.340 0.004 0.000 0.310 361 R C -2.805 173.668 176.300 0.288 0.000 1.064 361 R CA -2.016 54.269 56.100 0.308 0.000 0.983 361 R CB 1.382 31.850 30.300 0.280 0.000 1.139 361 R HN 0.216 nan 8.270 nan 0.000 0.536 362 P HA -0.015 nan 4.420 nan 0.000 0.267 362 P C -0.201 177.271 177.300 0.287 0.000 1.200 362 P CA 0.297 63.563 63.100 0.275 0.000 0.772 362 P CB 1.033 32.782 31.700 0.082 0.000 0.855 363 A N 1.608 124.528 122.820 0.166 0.000 2.132 363 A HA 0.239 4.561 4.320 0.004 0.000 0.213 363 A C 0.666 178.253 177.584 0.004 0.000 1.154 363 A CA 1.183 53.236 52.037 0.027 0.000 0.753 363 A CB -0.369 18.665 19.000 0.057 0.000 0.826 363 A HN 0.613 nan 8.150 nan 0.000 0.469 364 S N -1.827 113.957 115.700 0.139 0.000 2.588 364 S HA 0.674 5.147 4.470 0.004 0.000 0.269 364 S C -0.899 173.678 174.600 -0.038 0.000 1.157 364 S CA -0.392 57.828 58.200 0.034 0.000 0.824 364 S CB 0.869 63.885 63.200 -0.307 0.000 1.126 364 S HN 1.167 nan 8.310 nan 0.000 0.464 365 Y N -1.204 119.034 120.300 -0.103 0.000 2.624 365 Y HA 0.714 5.266 4.550 0.004 0.000 0.334 365 Y C 0.194 176.113 175.900 0.031 0.000 1.155 365 Y CA -1.037 56.953 58.100 -0.185 0.000 1.046 365 Y CB 0.636 38.735 38.460 -0.602 0.000 1.316 365 Y HN 0.590 nan 8.280 nan 0.000 0.457 366 E N 0.614 121.015 120.200 0.335 0.000 2.132 366 E HA 0.057 4.409 4.350 0.004 0.000 0.193 366 E C -0.144 176.711 176.600 0.425 0.000 0.951 366 E CA 0.719 57.288 56.400 0.280 0.000 0.843 366 E CB 0.451 30.252 29.700 0.168 0.000 0.807 366 E HN 0.593 nan 8.360 nan 0.000 0.467 370 N N 0.215 118.876 118.700 -0.064 0.000 2.515 370 N HA 0.159 4.902 4.740 0.004 0.000 0.185 370 N C 0.233 175.389 175.510 -0.590 0.000 1.109 370 N CA 0.524 53.397 53.050 -0.295 0.000 0.903 370 N CB -0.063 38.206 38.487 -0.364 0.000 0.969 370 N HN 0.225 nan 8.380 nan 0.000 0.450 371 F N -1.011 118.881 119.950 -0.097 0.000 2.639 371 F HA 0.236 4.766 4.527 0.005 0.000 0.302 371 F C -0.066 175.657 175.800 -0.129 0.000 1.097 371 F CA -0.488 57.405 58.000 -0.178 0.000 1.294 371 F CB -0.090 38.739 39.000 -0.284 0.000 1.027 371 F HN -0.092 nan 8.300 nan 0.000 0.550 372 Y N 0.450 120.759 120.300 0.015 0.000 2.667 372 Y HA 0.266 4.819 4.550 0.004 0.000 0.340 372 Y C 0.842 176.732 175.900 -0.017 0.000 1.303 372 Y CA -0.015 58.147 58.100 0.103 0.000 1.769 372 Y CB -0.110 38.349 38.460 -0.002 0.000 1.804 372 Y HN -0.116 nan 8.280 nan 0.000 0.451 376 V N 1.048 121.146 119.914 0.305 0.000 2.407 376 V HA -0.134 3.988 4.120 0.004 0.000 0.248 376 V C 1.826 178.067 176.094 0.245 0.000 1.055 376 V CA 1.940 64.409 62.300 0.282 0.000 1.049 376 V CB -0.603 31.391 31.823 0.285 0.000 0.662 376 V HN 0.525 nan 8.190 nan 0.000 0.455 377 Y N -0.278 120.095 120.300 0.122 0.000 2.190 377 Y HA -0.011 4.542 4.550 0.005 0.000 0.290 377 Y C 2.764 178.739 175.900 0.124 0.000 1.115 377 Y CA 1.036 59.212 58.100 0.126 0.000 1.107 377 Y CB 0.087 38.611 38.460 0.107 0.000 1.033 377 Y HN 0.132 nan 8.280 nan 0.000 0.502 378 E N 0.430 120.811 120.200 0.303 0.000 2.060 378 E HA -0.133 4.220 4.350 0.004 0.000 0.189 378 E C 1.870 178.574 176.600 0.173 0.000 0.974 378 E CA 0.697 57.223 56.400 0.210 0.000 0.808 378 E CB -0.271 29.532 29.700 0.172 0.000 0.768 378 E HN 0.325 nan 8.360 nan 0.000 0.453 379 K N 1.017 121.518 120.400 0.169 0.000 2.097 379 K HA -0.091 4.232 4.320 0.004 0.000 0.205 379 K C 2.190 178.835 176.600 0.075 0.000 1.050 379 K CA 1.288 57.651 56.287 0.128 0.000 0.938 379 K CB -0.347 32.230 32.500 0.129 0.000 0.718 379 K HN 0.126 nan 8.250 nan 0.000 0.442 380 G N 0.681 109.547 108.800 0.111 0.000 2.476 380 G HA2 -0.324 3.638 3.960 0.004 0.000 0.218 380 G HA3 -0.324 3.638 3.960 0.004 0.000 0.218 380 G C 1.560 176.511 174.900 0.084 0.000 1.164 380 G CA 1.123 46.280 45.100 0.095 0.000 0.768 380 G HN 0.452 nan 8.290 nan 0.000 0.560 381 A N 0.512 123.409 122.820 0.128 0.000 1.902 381 A HA -0.008 4.314 4.320 0.004 0.000 0.217 381 A C 2.244 179.903 177.584 0.125 0.000 1.181 381 A CA 1.955 54.099 52.037 0.177 0.000 0.623 381 A CB -0.319 18.818 19.000 0.228 0.000 0.818 381 A HN 0.287 nan 8.150 nan 0.000 0.443 382 E N -0.037 120.201 120.200 0.063 0.000 2.118 382 E HA -0.128 4.225 4.350 0.004 0.000 0.195 382 E C 2.163 178.639 176.600 -0.207 0.000 0.992 382 E CA 1.297 57.675 56.400 -0.037 0.000 0.804 382 E CB -0.608 29.071 29.700 -0.035 0.000 0.741 382 E HN 0.418 nan 8.360 nan 0.000 0.458 383 V N 0.744 120.517 119.914 -0.235 0.000 2.307 383 V HA -0.188 3.935 4.120 0.004 0.000 0.245 383 V C 2.550 178.566 176.094 -0.130 0.000 1.045 383 V CA 1.146 63.223 62.300 -0.372 0.000 1.024 383 V CB -0.447 31.148 31.823 -0.380 0.000 0.651 383 V HN 0.060 nan 8.190 nan 0.000 0.449 384 V N -0.236 119.694 119.914 0.026 0.000 2.332 384 V HA -0.192 3.931 4.120 0.004 0.000 0.248 384 V C 1.811 177.839 176.094 -0.110 0.000 1.055 384 V CA 1.545 63.944 62.300 0.165 0.000 1.038 384 V CB -0.610 31.241 31.823 0.047 0.000 0.651 384 V HN 0.490 nan 8.190 nan 0.000 0.450 388 H N 0.495 119.691 119.070 0.211 0.000 2.389 388 H HA -0.058 4.500 4.556 0.004 0.000 0.299 388 H C 1.231 176.590 175.328 0.051 0.000 1.081 388 H CA 2.212 58.305 56.048 0.074 0.000 1.345 388 H CB 0.306 29.926 29.762 -0.237 0.000 1.393 388 H HN 0.362 nan 8.280 nan 0.000 0.520 389 T N 1.292 115.927 114.554 0.134 0.000 2.777 389 T HA -0.048 4.304 4.350 0.004 0.000 0.266 389 T C 2.416 177.131 174.700 0.024 0.000 1.040 389 T CA 1.009 63.152 62.100 0.072 0.000 1.141 389 T CB -0.138 68.765 68.868 0.059 0.000 0.868 389 T HN 0.209 nan 8.240 nan 0.000 0.444 390 L N 0.143 121.387 121.223 0.034 0.000 2.093 390 L HA 0.077 4.420 4.340 0.004 0.000 0.208 390 L C 2.096 178.972 176.870 0.010 0.000 1.085 390 L CA 1.089 55.948 54.840 0.032 0.000 0.755 390 L CB -0.313 41.767 42.059 0.035 0.000 0.904 390 L HN 0.233 nan 8.230 nan 0.000 0.435 391 L N -1.348 119.875 121.223 0.000 0.000 2.556 391 L HA 0.353 4.695 4.340 0.004 0.000 0.226 391 L C 1.030 177.855 176.870 -0.074 0.000 1.089 391 L CA 0.125 54.952 54.840 -0.022 0.000 0.864 391 L CB -0.192 41.866 42.059 -0.002 0.000 1.067 391 L HN 0.318 nan 8.230 nan 0.000 0.477 392 G N 1.119 109.818 108.800 -0.169 0.000 2.846 392 G HA2 -0.318 3.645 3.960 0.004 0.000 0.660 392 G HA3 -0.318 3.645 3.960 0.004 0.000 0.660 392 G C 0.341 175.039 174.900 -0.336 0.000 1.464 392 G CA 0.210 45.142 45.100 -0.280 0.000 0.891 392 G HN 0.246 nan 8.290 nan 0.000 0.552 393 E N -0.158 119.838 120.200 -0.340 0.000 2.058 393 E HA -0.151 4.202 4.350 0.004 0.000 0.194 393 E C 2.221 178.808 176.600 -0.022 0.000 0.997 393 E CA 2.397 58.722 56.400 -0.125 0.000 0.801 393 E CB -0.246 29.456 29.700 0.004 0.000 0.746 393 E HN 0.700 nan 8.360 nan 0.000 0.450 394 E N -0.920 119.250 120.200 -0.050 0.000 2.051 394 E HA -0.158 4.195 4.350 0.004 0.000 0.192 394 E C 2.063 178.640 176.600 -0.038 0.000 0.991 394 E CA 1.244 57.618 56.400 -0.043 0.000 0.799 394 E CB -0.549 29.124 29.700 -0.046 0.000 0.748 394 E HN 0.397 nan 8.360 nan 0.000 0.449 395 G N 0.404 109.179 108.800 -0.041 0.000 2.421 395 G HA2 -0.304 3.658 3.960 0.004 0.000 0.216 395 G HA3 -0.304 3.658 3.960 0.004 0.000 0.216 395 G C 1.380 176.251 174.900 -0.048 0.000 1.171 395 G CA 0.704 45.773 45.100 -0.052 0.000 0.775 395 G HN 0.367 nan 8.290 nan 0.000 0.543 396 F N 1.321 121.187 119.950 -0.140 0.000 2.065 396 F HA -0.179 4.351 4.527 0.004 0.000 0.298 396 F C 3.020 178.747 175.800 -0.121 0.000 1.112 396 F CA 2.141 60.075 58.000 -0.111 0.000 1.212 396 F CB 0.011 39.024 39.000 0.022 0.000 0.975 396 F HN 0.082 nan 8.300 nan 0.000 0.476 397 Q N 0.633 120.483 119.800 0.084 0.000 2.135 397 Q HA -0.217 4.126 4.340 0.004 0.000 0.204 397 Q C 2.165 178.105 176.000 -0.101 0.000 0.981 397 Q CA 1.657 57.431 55.803 -0.049 0.000 0.856 397 Q CB -0.519 28.163 28.738 -0.093 0.000 0.902 397 Q HN 0.508 nan 8.270 nan 0.000 0.425 398 K N 0.181 120.516 120.400 -0.109 0.000 2.032 398 K HA -0.080 4.243 4.320 0.004 0.000 0.209 398 K C 1.341 177.831 176.600 -0.183 0.000 1.048 398 K CA 0.930 57.144 56.287 -0.121 0.000 0.927 398 K CB -0.510 31.924 32.500 -0.109 0.000 0.712 398 K HN 0.221 nan 8.250 nan 0.000 0.441 402 L N 1.795 122.988 121.223 -0.050 0.000 2.093 402 L HA 0.015 4.358 4.340 0.004 0.000 0.208 402 L C 2.005 178.837 176.870 -0.064 0.000 1.085 402 L CA 1.884 56.682 54.840 -0.069 0.000 0.755 402 L CB -0.724 41.272 42.059 -0.107 0.000 0.904 402 L HN 0.416 nan 8.230 nan 0.000 0.435 403 Y N -0.219 119.939 120.300 -0.236 0.000 2.081 403 Y HA -0.340 4.213 4.550 0.004 0.000 0.280 403 Y C 2.181 177.999 175.900 -0.137 0.000 1.163 403 Y CA 2.157 60.126 58.100 -0.217 0.000 1.135 403 Y CB -0.727 37.493 38.460 -0.399 0.000 0.970 403 Y HN 0.232 nan 8.280 nan 0.000 0.498 404 F N 0.480 120.441 119.950 0.019 0.000 2.146 404 F HA -0.209 4.320 4.527 0.004 0.000 0.298 404 F C 2.547 178.314 175.800 -0.054 0.000 1.096 404 F CA 1.690 59.669 58.000 -0.034 0.000 1.275 404 F CB -1.226 37.785 39.000 0.020 0.000 1.008 404 F HN 0.121 nan 8.300 nan 0.000 0.480 405 Q N -0.027 119.824 119.800 0.086 0.000 2.061 405 Q HA -0.205 4.137 4.340 0.004 0.000 0.204 405 Q C 2.356 178.304 176.000 -0.086 0.000 0.984 405 Q CA 1.736 57.543 55.803 0.008 0.000 0.846 405 Q CB -0.279 28.447 28.738 -0.020 0.000 0.902 405 Q HN 0.415 nan 8.270 nan 0.000 0.421 406 R N -0.674 119.683 120.500 -0.239 0.000 2.073 406 R HA -0.054 4.289 4.340 0.004 0.000 0.229 406 R C 1.478 177.459 176.300 -0.531 0.000 1.120 406 R CA 1.035 56.831 56.100 -0.507 0.000 0.967 406 R CB 0.083 29.838 30.300 -0.908 0.000 0.862 406 R HN 0.376 nan 8.270 nan 0.000 0.436 407 H N -0.834 118.181 119.070 -0.092 0.000 2.893 407 H HA 0.113 4.672 4.556 0.004 0.000 0.270 407 H C -0.267 175.038 175.328 -0.038 0.000 1.095 407 H CA -0.558 55.417 56.048 -0.121 0.000 1.186 407 H CB 0.058 29.648 29.762 -0.287 0.000 1.562 407 H HN 0.066 nan 8.280 nan 0.000 0.536 408 D N 1.068 121.551 120.400 0.140 0.000 2.586 408 D HA 0.028 4.671 4.640 0.004 0.000 0.234 408 D C 1.487 177.861 176.300 0.124 0.000 1.132 408 D CA 1.818 55.936 54.000 0.197 0.000 0.860 408 D CB 0.287 41.237 40.800 0.251 0.000 1.159 408 D HN 0.636 nan 8.370 nan 0.000 0.490 409 G N 3.041 111.899 108.800 0.096 0.000 2.179 409 G HA2 -0.256 3.707 3.960 0.004 0.000 0.260 409 G HA3 -0.256 3.707 3.960 0.004 0.000 0.260 409 G C 0.225 175.164 174.900 0.066 0.000 0.977 409 G CA 0.461 45.608 45.100 0.077 0.000 0.641 409 G HN 0.604 nan 8.290 nan 0.000 0.533 410 Q N -0.498 119.345 119.800 0.071 0.000 2.351 410 Q HA 0.732 5.075 4.340 0.004 0.000 0.273 410 Q C -0.216 175.800 176.000 0.027 0.000 1.077 410 Q CA -0.343 55.496 55.803 0.060 0.000 0.843 410 Q CB 2.145 30.944 28.738 0.101 0.000 1.367 410 Q HN 0.742 nan 8.270 nan 0.000 0.449 411 A N 1.444 124.269 122.820 0.008 0.000 2.273 411 A HA 0.581 4.903 4.320 0.004 0.000 0.320 411 A C -0.120 177.424 177.584 -0.066 0.000 1.358 411 A CA -0.439 51.584 52.037 -0.023 0.000 0.910 411 A CB -0.012 18.977 19.000 -0.020 0.000 1.159 411 A HN 0.512 nan 8.150 nan 0.000 0.526 412 V N 0.514 120.368 119.914 -0.099 0.000 3.184 412 V HA 0.965 5.088 4.120 0.004 0.000 0.308 412 V C 0.127 176.137 176.094 -0.141 0.000 1.243 412 V CA -0.048 62.151 62.300 -0.168 0.000 1.058 412 V CB 1.283 32.897 31.823 -0.348 0.000 1.183 412 V HN 1.072 nan 8.190 nan 0.000 0.471 413 T N -3.543 110.922 114.554 -0.148 0.000 2.926 413 T HA 0.367 4.720 4.350 0.004 0.000 0.289 413 T C 0.894 175.531 174.700 -0.105 0.000 1.054 413 T CA 0.177 62.202 62.100 -0.125 0.000 1.015 413 T CB 1.000 69.782 68.868 -0.142 0.000 1.167 413 T HN 0.918 nan 8.240 nan 0.000 0.526 414 C N 0.451 119.652 119.300 -0.165 0.000 2.403 414 C HA -0.069 4.393 4.460 0.004 0.000 0.277 414 C C 2.514 177.344 174.990 -0.267 0.000 1.248 414 C CA 1.493 60.315 59.018 -0.327 0.000 1.762 414 C CB -1.534 25.749 27.740 -0.761 0.000 2.014 414 C HN 1.122 nan 8.230 nan 0.000 0.486 415 D N 1.088 121.377 120.400 -0.184 0.000 2.116 415 D HA -0.162 4.480 4.640 0.004 0.000 0.193 415 D C 1.640 177.931 176.300 -0.016 0.000 0.998 415 D CA 1.720 55.678 54.000 -0.069 0.000 0.836 415 D CB -0.317 40.457 40.800 -0.044 0.000 0.951 415 D HN 0.429 nan 8.370 nan 0.000 0.449 416 D N -0.785 119.598 120.400 -0.029 0.000 2.123 416 D HA -0.179 4.464 4.640 0.004 0.000 0.196 416 D C 1.860 178.227 176.300 0.111 0.000 0.992 416 D CA 0.649 54.653 54.000 0.007 0.000 0.833 416 D CB -0.542 40.122 40.800 -0.226 0.000 0.954 416 D HN 0.309 nan 8.370 nan 0.000 0.455 417 F N 1.738 121.642 119.950 -0.077 0.000 2.146 417 F HA -0.095 4.434 4.527 0.004 0.000 0.298 417 F C 2.473 178.102 175.800 -0.285 0.000 1.096 417 F CA 1.157 59.000 58.000 -0.263 0.000 1.275 417 F CB -0.040 38.703 39.000 -0.428 0.000 1.008 417 F HN -0.236 nan 8.300 nan 0.000 0.480 418 R N 0.274 120.745 120.500 -0.048 0.000 2.083 418 R HA -0.176 4.167 4.340 0.004 0.000 0.237 418 R C 2.373 178.583 176.300 -0.150 0.000 1.137 418 R CA 1.483 57.568 56.100 -0.025 0.000 0.951 418 R CB -0.704 29.768 30.300 0.288 0.000 0.851 418 R HN 0.351 nan 8.270 nan 0.000 0.434 419 A N 0.946 123.724 122.820 -0.070 0.000 1.933 419 A HA 0.044 4.367 4.320 0.004 0.000 0.218 419 A C 1.345 178.857 177.584 -0.121 0.000 1.175 419 A CA 1.261 53.268 52.037 -0.051 0.000 0.628 419 A CB -0.667 18.341 19.000 0.014 0.000 0.814 419 A HN 0.560 nan 8.150 nan 0.000 0.444 423 D N 1.448 121.783 120.400 -0.108 0.000 2.117 423 D HA 0.036 4.678 4.640 0.004 0.000 0.197 423 D C 2.030 178.274 176.300 -0.094 0.000 0.987 423 D CA 1.872 55.822 54.000 -0.083 0.000 0.829 423 D CB -0.433 40.325 40.800 -0.070 0.000 0.961 423 D HN 0.562 nan 8.370 nan 0.000 0.460 424 A N 0.623 123.365 122.820 -0.131 0.000 2.070 424 A HA -0.129 4.194 4.320 0.004 0.000 0.220 424 A C 1.701 179.221 177.584 -0.107 0.000 1.159 424 A CA 1.093 53.055 52.037 -0.125 0.000 0.656 424 A CB -0.233 18.667 19.000 -0.167 0.000 0.800 424 A HN 0.185 nan 8.150 nan 0.000 0.453 425 N N -1.061 117.574 118.700 -0.109 0.000 2.205 425 N HA 0.155 4.897 4.740 0.004 0.000 0.201 425 N C 0.820 176.297 175.510 -0.055 0.000 1.128 425 N CA 0.679 53.679 53.050 -0.082 0.000 0.867 425 N CB 0.566 38.998 38.487 -0.091 0.000 0.996 425 N HN 0.527 nan 8.380 nan 0.000 0.503 426 G N 2.210 110.980 108.800 -0.051 0.000 2.295 426 G HA2 -0.267 3.696 3.960 0.004 0.000 0.287 426 G HA3 -0.267 3.696 3.960 0.004 0.000 0.287 426 G C -0.172 174.715 174.900 -0.021 0.000 1.055 426 G CA 0.380 45.460 45.100 -0.032 0.000 0.922 426 G HN 0.426 nan 8.290 nan 0.000 0.503 427 I N -0.953 119.603 120.570 -0.022 0.000 2.769 427 I HA 0.471 4.643 4.170 0.004 0.000 0.298 427 I C -0.308 175.814 176.117 0.008 0.000 1.128 427 I CA -1.467 59.830 61.300 -0.005 0.000 1.031 427 I CB 1.857 39.853 38.000 -0.007 0.000 1.235 427 I HN 0.109 nan 8.210 nan 0.000 0.423 428 N N 6.171 124.888 118.700 0.029 0.000 2.406 428 N HA 0.369 5.111 4.740 0.004 0.000 0.251 428 N C -0.517 175.040 175.510 0.079 0.000 1.069 428 N CA -0.312 52.766 53.050 0.048 0.000 0.947 428 N CB 0.629 39.145 38.487 0.049 0.000 1.111 428 N HN 0.550 nan 8.380 nan 0.000 0.497 429 L N 2.543 123.824 121.223 0.096 0.000 3.141 429 L HA 0.280 4.622 4.340 0.004 0.000 0.267 429 L C 0.510 177.514 176.870 0.223 0.000 1.281 429 L CA -0.323 54.620 54.840 0.171 0.000 1.037 429 L CB 0.305 42.447 42.059 0.137 0.000 1.407 429 L HN 0.528 nan 8.230 nan 0.000 0.566 430 D N 0.640 121.133 120.400 0.155 0.000 2.133 430 D HA -0.270 4.373 4.640 0.004 0.000 0.195 430 D C 1.975 178.374 176.300 0.164 0.000 0.997 430 D CA 1.397 55.482 54.000 0.142 0.000 0.840 430 D CB 0.167 41.022 40.800 0.091 0.000 0.947 430 D HN 0.381 nan 8.370 nan 0.000 0.452 431 Q N -1.031 118.863 119.800 0.156 0.000 2.291 431 Q HA -0.106 4.237 4.340 0.004 0.000 0.205 431 Q C 1.781 177.869 176.000 0.146 0.000 0.970 431 Q CA 0.403 56.274 55.803 0.113 0.000 0.876 431 Q CB -0.179 28.609 28.738 0.084 0.000 0.935 431 Q HN 0.289 nan 8.270 nan 0.000 0.455 432 F N 0.392 120.423 119.950 0.135 0.000 2.365 432 F HA -0.061 4.468 4.527 0.004 0.000 0.300 432 F C 1.960 177.923 175.800 0.272 0.000 1.090 432 F CA 0.940 59.075 58.000 0.224 0.000 1.408 432 F CB -0.107 39.023 39.000 0.218 0.000 1.060 432 F HN 0.147 nan 8.300 nan 0.000 0.534 433 A N 0.472 123.530 122.820 0.397 0.000 2.032 433 A HA -0.198 4.125 4.320 0.004 0.000 0.221 433 A C 2.156 179.877 177.584 0.228 0.000 1.165 433 A CA 1.725 53.998 52.037 0.393 0.000 0.645 433 A CB -1.158 17.995 19.000 0.255 0.000 0.807 433 A HN 0.504 nan 8.150 nan 0.000 0.453 434 L N -2.815 118.408 121.223 0.001 0.000 2.265 434 L HA -0.194 4.148 4.340 0.004 0.000 0.215 434 L C 2.295 178.996 176.870 -0.282 0.000 1.117 434 L CA 0.818 55.564 54.840 -0.157 0.000 0.782 434 L CB -0.553 41.340 42.059 -0.276 0.000 0.914 434 L HN 0.601 nan 8.230 nan 0.000 0.441 435 W N -1.024 120.080 121.300 -0.328 0.000 2.421 435 W HA -0.188 4.475 4.660 0.004 0.000 0.270 435 W C 1.989 178.278 176.519 -0.384 0.000 1.233 435 W CA 0.555 57.599 57.345 -0.503 0.000 1.226 435 W CB -0.189 28.694 29.460 -0.962 0.000 1.121 435 W HN 0.118 nan 8.180 nan 0.000 0.579 436 Y N -1.333 119.050 120.300 0.138 0.000 2.509 436 Y HA -0.030 4.523 4.550 0.004 0.000 0.270 436 Y C 2.451 178.413 175.900 0.104 0.000 1.103 436 Y CA 1.134 59.322 58.100 0.145 0.000 1.278 436 Y CB -0.460 38.100 38.460 0.166 0.000 1.087 436 Y HN -0.100 nan 8.280 nan 0.000 0.542 437 S N -1.458 114.358 115.700 0.194 0.000 2.520 437 S HA 0.144 4.616 4.470 0.004 0.000 0.219 437 S C 0.406 175.042 174.600 0.061 0.000 1.028 437 S CA -0.406 57.870 58.200 0.127 0.000 0.921 437 S CB -0.014 63.246 63.200 0.100 0.000 0.844 437 S HN 0.225 nan 8.310 nan 0.000 0.495 438 Q N 1.863 121.661 119.800 -0.003 0.000 2.368 438 Q HA 0.700 5.042 4.340 0.004 0.000 0.256 438 Q C -0.297 175.684 176.000 -0.031 0.000 0.980 438 Q CA -0.457 55.318 55.803 -0.047 0.000 0.887 438 Q CB 1.628 30.279 28.738 -0.144 0.000 1.221 438 Q HN 0.522 nan 8.270 nan 0.000 0.458 439 A N 2.246 125.072 122.820 0.010 0.000 2.310 439 A HA 0.766 5.089 4.320 0.004 0.000 0.260 439 A C 0.589 178.158 177.584 -0.025 0.000 1.112 439 A CA 0.603 52.647 52.037 0.011 0.000 0.804 439 A CB 0.074 19.106 19.000 0.053 0.000 1.081 439 A HN 0.894 nan 8.150 nan 0.000 0.499 440 G N -1.235 107.546 108.800 -0.031 0.000 2.690 440 G HA2 0.141 4.104 3.960 0.004 0.000 0.686 440 G HA3 0.141 4.104 3.960 0.004 0.000 0.686 440 G C -0.341 174.493 174.900 -0.109 0.000 1.277 440 G CA -0.301 44.766 45.100 -0.055 0.000 0.799 440 G HN 1.298 nan 8.290 nan 0.000 0.613 441 T N 3.972 118.419 114.554 -0.178 0.000 2.728 441 T HA 0.562 4.915 4.350 0.004 0.000 0.296 441 T C -1.986 172.611 174.700 -0.171 0.000 0.940 441 T CA -0.539 61.370 62.100 -0.319 0.000 1.013 441 T CB 1.459 69.864 68.868 -0.771 0.000 0.912 441 T HN 0.513 nan 8.240 nan 0.000 0.484 442 P HA 0.200 nan 4.420 nan 0.000 0.268 442 P C -0.890 176.424 177.300 0.023 0.000 1.205 442 P CA -0.371 62.695 63.100 -0.057 0.000 0.771 442 P CB 0.474 32.135 31.700 -0.065 0.000 0.858 443 V N 4.417 124.372 119.914 0.069 0.000 2.384 443 V HA 0.239 4.361 4.120 0.004 0.000 0.287 443 V C -0.061 176.098 176.094 0.107 0.000 1.020 443 V CA -0.582 61.801 62.300 0.138 0.000 0.850 443 V CB 1.255 33.155 31.823 0.128 0.000 0.987 443 V HN 0.309 nan 8.190 nan 0.000 0.436 444 L N 4.391 125.698 121.223 0.140 0.000 2.272 444 L HA 0.546 4.888 4.340 0.004 0.000 0.289 444 L C 0.180 177.128 176.870 0.129 0.000 1.032 444 L CA -0.142 54.775 54.840 0.128 0.000 0.810 444 L CB 1.177 43.323 42.059 0.144 0.000 1.205 444 L HN 0.526 nan 8.230 nan 0.000 0.422 445 E N 3.044 123.304 120.200 0.100 0.000 2.055 445 E HA 0.667 5.019 4.350 0.004 0.000 0.274 445 E C -0.844 175.810 176.600 0.092 0.000 0.949 445 E CA -0.242 56.205 56.400 0.079 0.000 0.775 445 E CB 1.274 31.003 29.700 0.048 0.000 1.097 445 E HN 0.558 nan 8.360 nan 0.000 0.404 446 A N 3.759 126.649 122.820 0.116 0.000 2.350 446 A HA 0.787 5.109 4.320 0.004 0.000 0.324 446 A C -0.626 177.015 177.584 0.094 0.000 1.118 446 A CA -0.600 51.548 52.037 0.184 0.000 0.783 446 A CB 1.135 20.328 19.000 0.323 0.000 1.236 446 A HN 0.481 nan 8.150 nan 0.000 0.457 447 E N -0.346 119.916 120.200 0.103 0.000 2.343 447 E HA 0.596 4.949 4.350 0.004 0.000 0.278 447 E C -0.356 176.301 176.600 0.096 0.000 0.910 447 E CA -0.137 56.235 56.400 -0.047 0.000 0.757 447 E CB 2.320 31.960 29.700 -0.101 0.000 1.218 447 E HN 1.011 nan 8.360 nan 0.000 0.435 448 G N 1.668 110.532 108.800 0.107 0.000 2.519 448 G HA2 0.722 4.684 3.960 0.004 0.000 0.307 448 G HA3 0.722 4.684 3.960 0.004 0.000 0.307 448 G C -1.333 173.421 174.900 -0.244 0.000 1.266 448 G CA -0.625 44.404 45.100 -0.119 0.000 0.970 448 G HN 0.332 nan 8.290 nan 0.000 0.481 449 R N 1.541 121.693 120.500 -0.579 0.000 2.522 449 R HA 0.355 4.697 4.340 0.004 0.000 0.283 449 R C -1.626 174.524 176.300 -0.250 0.000 1.074 449 R CA -0.856 55.087 56.100 -0.261 0.000 0.925 449 R CB 1.759 31.962 30.300 -0.162 0.000 1.205 449 R HN 0.425 nan 8.270 nan 0.000 0.436 450 L N 4.554 125.812 121.223 0.058 0.000 2.389 450 L HA 0.370 4.713 4.340 0.004 0.000 0.265 450 L C -0.724 176.188 176.870 0.071 0.000 1.167 450 L CA -0.063 54.871 54.840 0.157 0.000 1.045 450 L CB 0.014 42.233 42.059 0.267 0.000 1.351 450 L HN 0.398 nan 8.230 nan 0.000 0.419 451 K N 4.085 124.500 120.400 0.025 0.000 2.248 451 K HA 0.427 4.750 4.320 0.004 0.000 0.281 451 K C 0.542 177.166 176.600 0.041 0.000 1.054 451 K CA -0.032 56.270 56.287 0.025 0.000 0.903 451 K CB 0.320 32.821 32.500 0.002 0.000 1.077 451 K HN 0.683 nan 8.250 nan 0.000 0.474 452 N N 2.718 121.445 118.700 0.045 0.000 1.461 452 N HA -0.278 4.465 4.740 0.004 0.000 0.168 452 N C -0.398 175.152 175.510 0.066 0.000 0.819 452 N CA 1.160 54.240 53.050 0.049 0.000 1.102 452 N CB -1.014 37.500 38.487 0.044 0.000 1.378 452 N HN 0.665 nan 8.380 nan 0.000 0.466 453 N N 1.189 119.933 118.700 0.072 0.000 2.204 453 N HA 0.337 5.080 4.740 0.004 0.000 0.219 453 N C -0.854 174.726 175.510 0.117 0.000 1.151 453 N CA 0.137 53.241 53.050 0.090 0.000 0.867 453 N CB 0.294 38.829 38.487 0.079 0.000 1.043 453 N HN 0.304 nan 8.380 nan 0.000 0.516 454 I N 0.940 121.576 120.570 0.110 0.000 2.339 454 I HA 0.263 4.436 4.170 0.004 0.000 0.290 454 I C -0.206 175.999 176.117 0.145 0.000 0.994 454 I CA -0.970 60.405 61.300 0.126 0.000 1.191 454 I CB 0.109 38.159 38.000 0.084 0.000 1.343 454 I HN -0.081 nan 8.210 nan 0.000 0.458 455 F N 6.310 126.281 119.950 0.035 0.000 2.421 455 F HA 0.246 4.776 4.527 0.004 0.000 0.358 455 F C 0.743 176.552 175.800 0.016 0.000 1.115 455 F CA -0.235 57.770 58.000 0.007 0.000 1.160 455 F CB 0.567 39.539 39.000 -0.047 0.000 1.123 455 F HN 0.564 nan 8.300 nan 0.000 0.508 456 E N 7.749 127.628 120.200 -0.535 0.000 2.073 456 E HA 0.260 4.613 4.350 0.004 0.000 0.269 456 E C -1.832 174.471 176.600 -0.495 0.000 0.917 456 E CA -0.908 55.287 56.400 -0.341 0.000 0.757 456 E CB 1.048 30.631 29.700 -0.194 0.000 1.111 456 E HN 0.679 nan 8.360 nan 0.000 0.410 457 L N 4.886 125.978 121.223 -0.219 0.000 2.255 457 L HA 0.322 4.664 4.340 0.004 0.000 0.289 457 L C -0.688 176.245 176.870 0.105 0.000 1.046 457 L CA 0.030 54.855 54.840 -0.025 0.000 0.816 457 L CB 1.394 43.558 42.059 0.175 0.000 1.197 457 L HN 0.417 nan 8.230 nan 0.000 0.427 458 T N 4.236 118.816 114.554 0.045 0.000 2.845 458 T HA 0.633 4.986 4.350 0.004 0.000 0.288 458 T C -0.570 174.197 174.700 0.111 0.000 0.980 458 T CA -0.422 61.702 62.100 0.039 0.000 1.071 458 T CB 1.345 70.202 68.868 -0.018 0.000 0.941 458 T HN 0.317 nan 8.240 nan 0.000 0.487 459 V N 3.918 123.903 119.914 0.118 0.000 2.569 459 V HA 0.408 4.530 4.120 0.004 0.000 0.301 459 V C -0.261 175.892 176.094 0.098 0.000 1.044 459 V CA -1.050 61.347 62.300 0.162 0.000 0.874 459 V CB 1.783 33.784 31.823 0.297 0.000 1.002 459 V HN 0.758 nan 8.190 nan 0.000 0.424 460 K N 3.695 124.141 120.400 0.076 0.000 2.118 460 K HA 0.768 5.091 4.320 0.004 0.000 0.254 460 K C -0.592 176.043 176.600 0.059 0.000 0.961 460 K CA -0.786 55.531 56.287 0.049 0.000 0.876 460 K CB 1.902 34.420 32.500 0.030 0.000 1.077 460 K HN 0.853 nan 8.250 nan 0.000 0.440 461 Q N -0.293 119.529 119.800 0.037 0.000 2.331 461 Q HA 0.536 4.878 4.340 0.004 0.000 0.272 461 Q C -1.164 174.837 176.000 0.002 0.000 1.062 461 Q CA -0.972 54.846 55.803 0.026 0.000 0.806 461 Q CB 2.020 30.768 28.738 0.017 0.000 1.312 461 Q HN 0.647 nan 8.270 nan 0.000 0.431 462 T N -1.360 113.195 114.554 0.001 0.000 2.865 462 T HA 0.774 5.126 4.350 0.004 0.000 0.294 462 T C -0.703 173.980 174.700 -0.028 0.000 1.119 462 T CA -0.809 61.281 62.100 -0.017 0.000 1.007 462 T CB 1.616 70.481 68.868 -0.005 0.000 1.225 462 T HN 0.451 nan 8.240 nan 0.000 0.515 463 V N 2.320 122.207 119.914 -0.046 0.000 2.531 463 V HA 0.533 4.656 4.120 0.004 0.000 0.301 463 V C -2.346 173.730 176.094 -0.030 0.000 1.034 463 V CA -1.988 60.279 62.300 -0.055 0.000 0.865 463 V CB 1.571 33.329 31.823 -0.108 0.000 0.995 463 V HN 0.887 nan 8.190 nan 0.000 0.424 464 P HA 0.236 nan 4.420 nan 0.000 0.269 464 P C -2.720 174.580 177.300 0.000 0.000 1.209 464 P CA -1.223 61.879 63.100 0.003 0.000 0.776 464 P CB -0.148 31.562 31.700 0.018 0.000 0.876 465 P HA 0.060 nan 4.420 nan 0.000 0.267 465 P C -0.057 177.259 177.300 0.027 0.000 1.201 465 P CA 0.553 63.662 63.100 0.016 0.000 0.775 465 P CB 0.157 31.869 31.700 0.020 0.000 0.854 466 T N -1.558 113.018 114.554 0.037 0.000 2.887 466 T HA 0.460 4.813 4.350 0.004 0.000 0.292 466 T C -2.175 172.565 174.700 0.068 0.000 1.087 466 T CA -1.923 60.210 62.100 0.055 0.000 1.009 466 T CB 0.856 69.760 68.868 0.061 0.000 1.203 466 T HN 0.050 nan 8.240 nan 0.000 0.518 467 P HA -0.006 nan 4.420 nan 0.000 0.221 467 P C 0.373 177.729 177.300 0.094 0.000 1.145 467 P CA 0.938 64.090 63.100 0.086 0.000 0.795 467 P CB -0.026 31.733 31.700 0.099 0.000 0.775 471 D N 3.356 123.756 120.400 0.000 0.000 2.358 471 D HA 0.292 4.935 4.640 0.004 0.000 0.258 471 D C -0.513 175.774 176.300 -0.022 0.000 1.223 471 D CA 0.356 54.350 54.000 -0.010 0.000 0.886 471 D CB 0.470 41.265 40.800 -0.008 0.000 1.120 471 D HN -0.050 nan 8.370 nan 0.000 0.482 472 K N 4.115 124.494 120.400 -0.035 0.000 2.450 472 K HA 0.265 4.588 4.320 0.004 0.000 0.257 472 K C -0.129 176.429 176.600 -0.070 0.000 0.953 472 K CA -0.810 55.441 56.287 -0.061 0.000 0.844 472 K CB 1.660 34.119 32.500 -0.069 0.000 1.103 472 K HN 0.510 nan 8.250 nan 0.000 0.429 473 Q N 1.875 121.626 119.800 -0.082 0.000 2.260 473 Q HA 0.388 4.731 4.340 0.004 0.000 0.238 473 Q C -1.919 174.015 176.000 -0.110 0.000 0.948 473 Q CA -1.800 53.956 55.803 -0.078 0.000 0.895 473 Q CB 0.222 28.921 28.738 -0.064 0.000 1.218 473 Q HN 0.300 nan 8.270 nan 0.000 0.470 478 P HA 0.226 nan 4.420 nan 0.000 0.282 478 P C -0.632 176.659 177.300 -0.016 0.000 1.274 478 P CA -0.183 62.941 63.100 0.039 0.000 0.770 478 P CB 1.501 33.220 31.700 0.032 0.000 0.867 479 V N 4.895 124.772 119.914 -0.062 0.000 2.313 479 V HA 0.254 4.377 4.120 0.004 0.000 0.278 479 V C 0.741 176.774 176.094 -0.101 0.000 1.017 479 V CA -0.659 61.592 62.300 -0.083 0.000 0.823 479 V CB 0.935 32.688 31.823 -0.116 0.000 1.010 479 V HN 0.473 nan 8.190 nan 0.000 0.443 480 K N 4.388 124.765 120.400 -0.037 0.000 2.297 480 K HA 0.603 4.925 4.320 0.004 0.000 0.286 480 K C -0.545 176.053 176.600 -0.003 0.000 1.053 480 K CA -0.279 56.001 56.287 -0.011 0.000 0.940 480 K CB 1.312 33.830 32.500 0.030 0.000 1.019 480 K HN 0.657 nan 8.250 nan 0.000 0.475 481 V N 0.405 120.309 119.914 -0.018 0.000 3.007 481 V HA 0.943 5.066 4.120 0.004 0.000 0.311 481 V C -0.363 175.751 176.094 0.032 0.000 1.120 481 V CA -0.483 61.792 62.300 -0.041 0.000 0.980 481 V CB 1.726 33.447 31.823 -0.169 0.000 1.033 481 V HN 0.866 nan 8.190 nan 0.000 0.429 482 G N 1.786 110.586 108.800 -0.001 0.000 2.866 482 G HA2 0.801 4.763 3.960 0.004 0.000 0.289 482 G HA3 0.801 4.763 3.960 0.004 0.000 0.289 482 G C -1.811 173.042 174.900 -0.079 0.000 1.396 482 G CA -0.986 44.154 45.100 0.066 0.000 0.848 482 G HN 1.011 nan 8.290 nan 0.000 0.515 483 L N -0.199 121.001 121.223 -0.037 0.000 2.482 483 L HA 0.536 4.878 4.340 0.004 0.000 0.263 483 L C -0.997 175.837 176.870 -0.059 0.000 0.957 483 L CA -0.594 54.159 54.840 -0.145 0.000 0.836 483 L CB 2.365 44.283 42.059 -0.234 0.000 1.324 483 L HN 0.275 nan 8.230 nan 0.000 0.406 484 L N 2.302 123.481 121.223 -0.075 0.000 2.346 484 L HA 0.538 4.881 4.340 0.004 0.000 0.276 484 L C -0.276 176.568 176.870 -0.044 0.000 1.006 484 L CA -0.877 53.940 54.840 -0.039 0.000 0.817 484 L CB 1.886 43.933 42.059 -0.019 0.000 1.272 484 L HN 0.648 nan 8.230 nan 0.000 0.421 485 N N 1.446 120.124 118.700 -0.036 0.000 2.347 485 N HA 0.119 4.861 4.740 0.004 0.000 0.253 485 N C 0.601 176.087 175.510 -0.040 0.000 1.274 485 N CA -0.550 52.481 53.050 -0.031 0.000 0.941 485 N CB 0.558 39.030 38.487 -0.025 0.000 1.200 485 N HN 0.529 nan 8.380 nan 0.000 0.514 486 R N -0.955 119.528 120.500 -0.029 0.000 2.293 486 R HA 0.020 4.362 4.340 0.004 0.000 0.219 486 R C -0.108 176.149 176.300 -0.071 0.000 1.091 486 R CA 0.753 56.836 56.100 -0.028 0.000 1.004 486 R CB -0.213 30.082 30.300 -0.008 0.000 0.865 486 R HN 0.529 nan 8.270 nan 0.000 0.469 487 N N -0.567 118.064 118.700 -0.115 0.000 2.270 487 N HA 0.063 4.805 4.740 0.004 0.000 0.198 487 N C 0.658 175.914 175.510 -0.422 0.000 1.117 487 N CA 0.883 53.803 53.050 -0.217 0.000 0.845 487 N CB 1.202 39.598 38.487 -0.152 0.000 0.980 487 N HN 0.372 nan 8.380 nan 0.000 0.486 488 G N 0.887 109.519 108.800 -0.280 0.000 2.162 488 G HA2 -0.305 3.658 3.960 0.004 0.000 0.260 488 G HA3 -0.305 3.658 3.960 0.004 0.000 0.260 488 G C 0.113 174.949 174.900 -0.107 0.000 0.976 488 G CA 0.485 45.453 45.100 -0.221 0.000 0.655 488 G HN 0.425 nan 8.290 nan 0.000 0.533 489 E N 0.491 120.631 120.200 -0.100 0.000 2.318 489 E HA 0.731 5.083 4.350 0.004 0.000 0.265 489 E C 0.815 177.405 176.600 -0.016 0.000 1.069 489 E CA 0.239 56.614 56.400 -0.042 0.000 0.893 489 E CB 0.760 30.436 29.700 -0.040 0.000 1.076 489 E HN 1.003 nan 8.360 nan 0.000 0.414 490 A N 2.201 125.022 122.820 0.001 0.000 2.511 490 A HA 0.344 4.667 4.320 0.004 0.000 0.242 490 A C -0.641 176.955 177.584 0.020 0.000 1.069 490 A CA -0.300 51.746 52.037 0.016 0.000 0.763 490 A CB 0.186 19.196 19.000 0.018 0.000 1.001 490 A HN 0.344 nan 8.150 nan 0.000 0.498 491 V N 2.706 122.646 119.914 0.044 0.000 2.409 491 V HA 0.555 4.678 4.120 0.004 0.000 0.291 491 V C 0.744 176.915 176.094 0.130 0.000 1.020 491 V CA -0.242 62.095 62.300 0.062 0.000 0.848 491 V CB 1.077 32.928 31.823 0.045 0.000 0.990 491 V HN 1.213 nan 8.190 nan 0.000 0.430 492 A N 5.460 128.323 122.820 0.072 0.000 2.332 492 A HA 0.924 5.246 4.320 0.004 0.000 0.258 492 A C -0.567 177.096 177.584 0.130 0.000 1.087 492 A CA -0.035 52.004 52.037 0.003 0.000 0.802 492 A CB 0.379 19.343 19.000 -0.060 0.000 1.042 492 A HN 1.184 nan 8.150 nan 0.000 0.489 493 F N -1.546 118.425 119.950 0.035 0.000 2.713 493 F HA 0.575 5.104 4.527 0.004 0.000 0.311 493 F C -1.169 174.686 175.800 0.092 0.000 1.141 493 F CA -1.240 56.798 58.000 0.063 0.000 0.939 493 F CB 1.120 40.160 39.000 0.065 0.000 1.325 493 F HN 0.419 nan 8.300 nan 0.000 0.453 494 D N 1.092 121.686 120.400 0.323 0.000 2.168 494 D HA 0.453 5.095 4.640 0.004 0.000 0.246 494 D C -1.799 174.772 176.300 0.451 0.000 1.050 494 D CA 0.184 54.331 54.000 0.245 0.000 0.857 494 D CB 2.287 43.186 40.800 0.166 0.000 1.169 494 D HN 0.716 nan 8.370 nan 0.000 0.453 495 Y N 0.671 121.087 120.300 0.193 0.000 2.673 495 Y HA -0.054 4.499 4.550 0.005 0.000 0.357 495 Y C -1.384 174.594 175.900 0.130 0.000 1.211 495 Y CA -0.890 57.342 58.100 0.220 0.000 1.307 495 Y CB 0.866 39.555 38.460 0.382 0.000 1.384 495 Y HN 0.245 nan 8.280 nan 0.000 0.499 496 Q N 3.889 123.511 119.800 -0.297 0.000 2.369 496 Q HA 0.460 4.803 4.340 0.004 0.000 0.247 496 Q C 0.848 176.779 176.000 -0.116 0.000 1.083 496 Q CA 0.284 55.864 55.803 -0.371 0.000 0.905 496 Q CB 0.992 29.396 28.738 -0.557 0.000 1.305 496 Q HN 1.394 nan 8.270 nan 0.000 0.465 497 G N 3.087 111.863 108.800 -0.040 0.000 2.234 497 G HA2 -0.297 3.666 3.960 0.004 0.000 0.260 497 G HA3 -0.297 3.666 3.960 0.004 0.000 0.260 497 G C -0.015 174.886 174.900 0.001 0.000 0.987 497 G CA 0.251 45.344 45.100 -0.012 0.000 0.625 497 G HN 0.514 nan 8.290 nan 0.000 0.532 498 K N -0.075 120.332 120.400 0.011 0.000 2.164 498 K HA 0.609 4.932 4.320 0.004 0.000 0.258 498 K C -0.141 176.445 176.600 -0.023 0.000 0.951 498 K CA -0.966 55.321 56.287 -0.001 0.000 0.844 498 K CB 1.500 34.001 32.500 0.002 0.000 1.099 498 K HN 0.091 nan 8.250 nan 0.000 0.435 499 R N 1.762 122.226 120.500 -0.059 0.000 2.239 499 R HA 0.462 4.805 4.340 0.004 0.000 0.332 499 R C -1.505 174.687 176.300 -0.180 0.000 0.988 499 R CA -0.012 56.023 56.100 -0.108 0.000 0.859 499 R CB 0.776 31.041 30.300 -0.057 0.000 1.148 499 R HN 0.744 nan 8.270 nan 0.000 0.482 500 A N 1.664 124.266 122.820 -0.362 0.000 2.583 500 A HA 0.444 4.766 4.320 0.004 0.000 0.289 500 A C 0.033 177.264 177.584 -0.587 0.000 1.151 500 A CA -0.510 51.306 52.037 -0.368 0.000 0.695 500 A CB 1.605 20.448 19.000 -0.262 0.000 1.290 500 A HN 0.537 nan 8.150 nan 0.000 0.419 501 T N -0.998 113.366 114.554 -0.317 0.000 3.086 501 T HA 0.296 4.649 4.350 0.004 0.000 0.250 501 T C 0.175 174.883 174.700 0.014 0.000 1.074 501 T CA 1.059 63.063 62.100 -0.161 0.000 0.988 501 T CB -0.463 68.375 68.868 -0.050 0.000 0.988 501 T HN 0.682 nan 8.240 nan 0.000 0.530 502 E N -0.238 119.932 120.200 -0.051 0.000 2.352 502 E HA 0.620 4.973 4.350 0.004 0.000 0.280 502 E C -1.802 174.877 176.600 0.131 0.000 0.930 502 E CA -0.830 55.650 56.400 0.133 0.000 0.765 502 E CB 1.923 31.663 29.700 0.068 0.000 1.219 502 E HN 0.185 nan 8.360 nan 0.000 0.434 503 A N 2.393 125.353 122.820 0.233 0.000 2.572 503 A HA 0.588 4.910 4.320 0.004 0.000 0.295 503 A C -1.486 176.127 177.584 0.048 0.000 1.072 503 A CA -0.640 51.491 52.037 0.157 0.000 0.691 503 A CB 1.835 20.991 19.000 0.259 0.000 1.291 503 A HN 0.317 nan 8.150 nan 0.000 0.404 504 V N 2.352 122.291 119.914 0.042 0.000 2.348 504 V HA 0.285 4.408 4.120 0.004 0.000 0.270 504 V C -0.244 175.820 176.094 -0.050 0.000 1.037 504 V CA -0.061 62.235 62.300 -0.007 0.000 0.872 504 V CB 0.641 32.481 31.823 0.029 0.000 1.002 504 V HN 0.626 nan 8.190 nan 0.000 0.464 505 L N 6.099 127.180 121.223 -0.237 0.000 2.261 505 L HA 0.367 4.710 4.340 0.004 0.000 0.289 505 L C -0.198 176.530 176.870 -0.236 0.000 1.059 505 L CA -0.568 53.990 54.840 -0.470 0.000 0.816 505 L CB 1.001 42.341 42.059 -1.198 0.000 1.191 505 L HN 0.452 nan 8.230 nan 0.000 0.431 506 L N 5.534 126.794 121.223 0.062 0.000 2.334 506 L HA 0.266 4.609 4.340 0.004 0.000 0.286 506 L C -0.341 176.720 176.870 0.318 0.000 1.108 506 L CA -0.157 54.788 54.840 0.175 0.000 0.875 506 L CB 0.744 42.919 42.059 0.193 0.000 1.246 506 L HN 0.439 nan 8.230 nan 0.000 0.439 507 L N 4.843 126.239 121.223 0.288 0.000 2.315 507 L HA 0.369 4.712 4.340 0.004 0.000 0.283 507 L C 1.075 178.063 176.870 0.195 0.000 1.089 507 L CA 0.859 55.901 54.840 0.338 0.000 0.833 507 L CB 0.912 43.151 42.059 0.300 0.000 1.170 507 L HN 0.831 nan 8.230 nan 0.000 0.442 508 T N -0.219 114.428 114.554 0.155 0.000 3.004 508 T HA 0.373 4.726 4.350 0.004 0.000 0.266 508 T C 0.452 175.180 174.700 0.046 0.000 0.986 508 T CA -0.333 61.823 62.100 0.093 0.000 0.902 508 T CB 0.141 69.068 68.868 0.098 0.000 1.118 508 T HN 0.467 nan 8.240 nan 0.000 0.522 509 E N 0.566 120.792 120.200 0.043 0.000 2.264 509 E HA 0.713 5.066 4.350 0.004 0.000 0.260 509 E C 1.147 177.750 176.600 0.004 0.000 0.961 509 E CA -0.303 56.103 56.400 0.010 0.000 0.834 509 E CB 1.676 31.372 29.700 -0.007 0.000 1.230 509 E HN 0.129 nan 8.360 nan 0.000 0.412 510 A N 0.911 123.725 122.820 -0.009 0.000 1.948 510 A HA -0.186 4.137 4.320 0.004 0.000 0.220 510 A C 0.812 178.395 177.584 -0.003 0.000 1.177 510 A CA 1.734 53.765 52.037 -0.010 0.000 0.636 510 A CB -0.019 18.972 19.000 -0.015 0.000 0.815 510 A HN 0.537 nan 8.150 nan 0.000 0.449 511 E N -1.221 118.971 120.200 -0.014 0.000 2.335 511 E HA 0.495 4.847 4.350 0.004 0.000 0.280 511 E C -1.560 174.998 176.600 -0.069 0.000 0.918 511 E CA -0.426 55.960 56.400 -0.024 0.000 0.765 511 E CB 1.070 30.755 29.700 -0.025 0.000 1.218 511 E HN 0.440 nan 8.360 nan 0.000 0.425 512 Q N 1.212 120.942 119.800 -0.117 0.000 2.416 512 Q HA 0.440 4.783 4.340 0.004 0.000 0.281 512 Q C -1.497 174.278 176.000 -0.375 0.000 1.067 512 Q CA -0.875 54.749 55.803 -0.299 0.000 0.809 512 Q CB 2.771 31.216 28.738 -0.488 0.000 1.418 512 Q HN 0.461 nan 8.270 nan 0.000 0.411 513 T N 1.610 115.913 114.554 -0.418 0.000 2.797 513 T HA 0.604 4.957 4.350 0.004 0.000 0.279 513 T C -1.040 173.391 174.700 -0.449 0.000 0.991 513 T CA -0.365 61.544 62.100 -0.318 0.000 0.979 513 T CB 0.327 69.106 68.868 -0.148 0.000 0.943 513 T HN 0.219 nan 8.240 nan 0.000 0.444 514 F N 2.312 122.283 119.950 0.035 0.000 2.458 514 F HA 0.535 5.065 4.527 0.004 0.000 0.336 514 F C -0.045 175.797 175.800 0.071 0.000 1.114 514 F CA -1.254 56.798 58.000 0.086 0.000 0.987 514 F CB 1.093 40.096 39.000 0.004 0.000 1.130 514 F HN 0.233 nan 8.300 nan 0.000 0.458 515 L N 5.127 126.552 121.223 0.336 0.000 2.277 515 L HA 0.414 4.756 4.340 0.004 0.000 0.284 515 L C -1.113 175.956 176.870 0.333 0.000 1.028 515 L CA -0.728 54.257 54.840 0.242 0.000 0.835 515 L CB 0.808 42.972 42.059 0.174 0.000 1.215 515 L HN 0.373 nan 8.230 nan 0.000 0.425 516 L N 4.215 125.578 121.223 0.233 0.000 2.272 516 L HA 0.371 4.714 4.340 0.004 0.000 0.284 516 L C 0.346 177.380 176.870 0.272 0.000 1.045 516 L CA 0.082 55.056 54.840 0.224 0.000 0.842 516 L CB 0.690 42.651 42.059 -0.162 0.000 1.224 516 L HN 0.541 nan 8.230 nan 0.000 0.430 517 E N 1.499 121.889 120.200 0.317 0.000 2.232 517 E HA 0.610 4.963 4.350 0.004 0.000 0.265 517 E C 0.533 177.263 176.600 0.218 0.000 1.001 517 E CA -0.449 56.087 56.400 0.226 0.000 0.870 517 E CB 1.159 30.969 29.700 0.183 0.000 1.175 517 E HN 0.673 nan 8.360 nan 0.000 0.407 518 G N 0.441 109.334 108.800 0.156 0.000 2.272 518 G HA2 -0.236 3.727 3.960 0.004 0.000 0.280 518 G HA3 -0.236 3.727 3.960 0.004 0.000 0.280 518 G C -0.175 174.809 174.900 0.139 0.000 1.067 518 G CA -0.001 45.176 45.100 0.128 0.000 0.902 518 G HN 0.248 nan 8.290 nan 0.000 0.500 519 V N 1.000 121.002 119.914 0.147 0.000 2.348 519 V HA 0.427 4.550 4.120 0.004 0.000 0.270 519 V C 1.243 177.396 176.094 0.099 0.000 1.037 519 V CA 0.574 62.955 62.300 0.136 0.000 0.872 519 V CB 1.257 33.172 31.823 0.153 0.000 1.002 519 V HN 0.453 nan 8.190 nan 0.000 0.464 520 T N 2.827 117.427 114.554 0.077 0.000 3.145 520 T HA 0.233 4.586 4.350 0.004 0.000 0.255 520 T C 0.233 174.962 174.700 0.048 0.000 1.039 520 T CA -0.202 61.933 62.100 0.059 0.000 0.928 520 T CB -0.303 68.593 68.868 0.047 0.000 1.029 520 T HN 0.858 nan 8.240 nan 0.000 0.554 521 E N 0.342 120.572 120.200 0.050 0.000 2.413 521 E HA 0.695 5.047 4.350 0.004 0.000 0.277 521 E C -1.166 175.459 176.600 0.041 0.000 0.958 521 E CA -1.578 54.845 56.400 0.038 0.000 0.779 521 E CB 1.422 31.137 29.700 0.024 0.000 1.278 521 E HN 0.019 nan 8.360 nan 0.000 0.456 522 A N 1.126 123.970 122.820 0.039 0.000 2.546 522 A HA 0.404 4.727 4.320 0.004 0.000 0.243 522 A C 0.366 177.962 177.584 0.019 0.000 1.063 522 A CA -0.124 51.941 52.037 0.046 0.000 0.757 522 A CB -0.228 18.800 19.000 0.046 0.000 0.991 522 A HN 0.676 nan 8.150 nan 0.000 0.503 523 V N 1.018 120.937 119.914 0.008 0.000 2.823 523 V HA 0.784 4.907 4.120 0.004 0.000 0.312 523 V C -0.379 175.679 176.094 -0.061 0.000 1.072 523 V CA -0.874 61.377 62.300 -0.081 0.000 0.937 523 V CB 1.600 33.277 31.823 -0.245 0.000 1.013 523 V HN 0.611 nan 8.190 nan 0.000 0.430 524 V N 4.965 124.844 119.914 -0.058 0.000 2.398 524 V HA 0.531 4.653 4.120 0.004 0.000 0.286 524 V C -2.167 173.863 176.094 -0.107 0.000 1.026 524 V CA -1.533 60.777 62.300 0.016 0.000 0.868 524 V CB 1.757 33.635 31.823 0.092 0.000 0.982 524 V HN 0.934 nan 8.190 nan 0.000 0.443 525 P HA 0.247 nan 4.420 nan 0.000 0.282 525 P C -0.682 176.565 177.300 -0.088 0.000 1.249 525 P CA -0.382 62.541 63.100 -0.294 0.000 0.806 525 P CB 1.470 32.895 31.700 -0.459 0.000 0.984 526 S N 2.493 118.138 115.700 -0.091 0.000 2.429 526 S HA 0.597 5.070 4.470 0.004 0.000 0.302 526 S C -0.691 173.910 174.600 0.003 0.000 1.115 526 S CA -0.664 57.528 58.200 -0.014 0.000 1.095 526 S CB -0.595 62.602 63.200 -0.005 0.000 0.987 526 S HN 0.265 nan 8.310 nan 0.000 0.474 527 L N 4.556 125.823 121.223 0.074 0.000 2.381 527 L HA 0.623 4.966 4.340 0.004 0.000 0.268 527 L C -0.381 176.613 176.870 0.208 0.000 0.997 527 L CA -1.115 53.776 54.840 0.085 0.000 0.818 527 L CB 1.663 43.750 42.059 0.047 0.000 1.310 527 L HN 0.726 nan 8.230 nan 0.000 0.416 528 L N 1.857 123.177 121.223 0.163 0.000 3.730 528 L HA -0.180 4.162 4.340 0.004 0.000 0.410 528 L C 0.428 177.473 176.870 0.292 0.000 1.234 528 L CA 0.698 55.658 54.840 0.201 0.000 0.911 528 L CB -1.085 41.161 42.059 0.311 0.000 1.942 528 L HN 0.656 nan 8.230 nan 0.000 0.860 529 R N 0.176 120.811 120.500 0.226 0.000 2.585 529 R HA 0.348 4.690 4.340 0.004 0.000 0.275 529 R C 1.515 177.947 176.300 0.221 0.000 1.018 529 R CA 0.852 57.113 56.100 0.268 0.000 1.072 529 R CB 0.012 30.406 30.300 0.156 0.000 0.953 529 R HN 0.596 nan 8.270 nan 0.000 0.419 530 G N 2.521 111.498 108.800 0.295 0.000 2.166 530 G HA2 -0.344 3.619 3.960 0.004 0.000 0.260 530 G HA3 -0.344 3.619 3.960 0.004 0.000 0.260 530 G C 0.172 175.096 174.900 0.040 0.000 0.986 530 G CA 0.278 45.477 45.100 0.166 0.000 0.683 530 G HN 0.772 nan 8.290 nan 0.000 0.527 531 F N -0.112 119.590 119.950 -0.413 0.000 2.807 531 F HA -0.268 4.262 4.527 0.005 0.000 0.297 531 F C 1.577 177.221 175.800 -0.261 0.000 1.024 531 F CA 1.130 58.723 58.000 -0.678 0.000 1.008 531 F CB -1.570 36.874 39.000 -0.926 0.000 1.142 531 F HN 0.938 nan 8.300 nan 0.000 0.829 532 S N 0.456 116.020 115.700 -0.228 0.000 2.447 532 S HA 0.489 4.961 4.470 0.004 0.000 0.233 532 S C 0.913 175.346 174.600 -0.278 0.000 1.006 532 S CA 0.533 58.633 58.200 -0.168 0.000 0.957 532 S CB 0.166 63.327 63.200 -0.065 0.000 0.773 532 S HN 1.602 nan 8.310 nan 0.000 0.507 533 A N 1.523 124.066 122.820 -0.463 0.000 2.549 533 A HA 0.693 5.016 4.320 0.004 0.000 0.297 533 A C -3.184 173.915 177.584 -0.808 0.000 1.061 533 A CA -1.899 49.844 52.037 -0.491 0.000 0.690 533 A CB 1.202 20.087 19.000 -0.191 0.000 1.287 533 A HN 0.129 nan 8.150 nan 0.000 0.402 534 P HA 0.370 nan 4.420 nan 0.000 0.247 534 P C -0.412 176.875 177.300 -0.021 0.000 1.756 534 P CA 0.140 62.989 63.100 -0.418 0.000 1.117 534 P CB 0.018 31.704 31.700 -0.024 0.000 1.869 535 V N 0.442 120.344 119.914 -0.020 0.000 3.160 535 V HA 0.561 4.684 4.120 0.004 0.000 0.310 535 V C -0.561 175.654 176.094 0.201 0.000 1.181 535 V CA -1.043 61.283 62.300 0.043 0.000 1.047 535 V CB 2.081 33.939 31.823 0.058 0.000 1.068 535 V HN 0.284 nan 8.190 nan 0.000 0.441 536 H N 1.748 120.956 119.070 0.231 0.000 2.580 536 H HA 0.672 5.230 4.556 0.004 0.000 0.322 536 H C -0.672 174.794 175.328 0.229 0.000 1.082 536 H CA -0.135 56.082 56.048 0.282 0.000 1.383 536 H CB 1.782 31.656 29.762 0.187 0.000 1.450 536 H HN 0.739 nan 8.280 nan 0.000 0.505 537 L N 3.878 125.339 121.223 0.397 0.000 2.356 537 L HA 0.322 4.665 4.340 0.004 0.000 0.277 537 L C -0.712 176.323 176.870 0.275 0.000 0.996 537 L CA -0.529 54.491 54.840 0.301 0.000 0.822 537 L CB 1.012 43.247 42.059 0.294 0.000 1.256 537 L HN 0.549 nan 8.230 nan 0.000 0.413 538 N N 4.346 123.173 118.700 0.212 0.000 2.501 538 N HA 0.328 5.070 4.740 0.004 0.000 0.245 538 N C -1.775 173.824 175.510 0.149 0.000 0.974 538 N CA -0.464 52.682 53.050 0.161 0.000 0.941 538 N CB 1.052 39.597 38.487 0.097 0.000 1.122 538 N HN 0.432 nan 8.380 nan 0.000 0.507 539 Y N 2.795 123.080 120.300 -0.025 0.000 2.429 539 Y HA 0.462 5.015 4.550 0.004 0.000 0.342 539 Y C -2.433 173.305 175.900 -0.269 0.000 1.004 539 Y CA -2.539 55.431 58.100 -0.216 0.000 1.075 539 Y CB 1.634 39.813 38.460 -0.467 0.000 1.214 539 Y HN 0.444 nan 8.280 nan 0.000 0.455 540 P HA 0.145 nan 4.420 nan 0.000 0.268 540 P C -1.699 175.442 177.300 -0.264 0.000 1.541 540 P CA 0.393 63.255 63.100 -0.397 0.000 1.093 540 P CB -0.480 30.974 31.700 -0.409 0.000 1.551 541 Y N 0.582 120.920 120.300 0.064 0.000 2.361 541 Y HA 0.360 4.913 4.550 0.004 0.000 0.332 541 Y C 1.435 177.366 175.900 0.051 0.000 1.101 541 Y CA -0.658 57.512 58.100 0.116 0.000 1.137 541 Y CB 1.259 39.804 38.460 0.142 0.000 1.207 541 Y HN 0.225 nan 8.280 nan 0.000 0.463 542 S N 0.399 116.240 115.700 0.235 0.000 2.632 542 S HA 0.136 4.609 4.470 0.004 0.000 0.267 542 S C 0.565 175.223 174.600 0.096 0.000 1.276 542 S CA -0.646 57.629 58.200 0.126 0.000 0.998 542 S CB 0.944 64.201 63.200 0.095 0.000 0.953 542 S HN 0.652 nan 8.310 nan 0.000 0.547 543 D N 0.991 121.422 120.400 0.051 0.000 2.133 543 D HA -0.102 4.541 4.640 0.004 0.000 0.195 543 D C 1.241 177.542 176.300 0.002 0.000 0.997 543 D CA 1.528 55.537 54.000 0.015 0.000 0.840 543 D CB -0.402 40.404 40.800 0.010 0.000 0.947 543 D HN 0.639 nan 8.370 nan 0.000 0.452 544 D N 0.402 120.815 120.400 0.022 0.000 2.178 544 D HA -0.105 4.538 4.640 0.004 0.000 0.202 544 D C 1.501 177.814 176.300 0.021 0.000 0.974 544 D CA 0.676 54.688 54.000 0.020 0.000 0.841 544 D CB -0.206 40.613 40.800 0.033 0.000 0.953 544 D HN 0.189 nan 8.370 nan 0.000 0.478 545 D N 0.244 120.672 120.400 0.046 0.000 2.097 545 D HA -0.076 4.567 4.640 0.004 0.000 0.195 545 D C 2.369 178.608 176.300 -0.101 0.000 0.989 545 D CA 0.464 54.492 54.000 0.047 0.000 0.827 545 D CB -0.262 40.672 40.800 0.223 0.000 0.966 545 D HN 0.227 nan 8.370 nan 0.000 0.456 546 L N 0.352 121.495 121.223 -0.133 0.000 2.017 546 L HA -0.125 4.217 4.340 0.004 0.000 0.208 546 L C 2.606 179.376 176.870 -0.168 0.000 1.073 546 L CA 0.636 55.345 54.840 -0.219 0.000 0.745 546 L CB -0.435 41.516 42.059 -0.179 0.000 0.894 546 L HN 0.066 nan 8.230 nan 0.000 0.432 547 L N -0.388 120.771 121.223 -0.108 0.000 2.079 547 L HA -0.256 4.086 4.340 0.004 0.000 0.210 547 L C 2.649 179.477 176.870 -0.069 0.000 1.081 547 L CA 1.357 56.142 54.840 -0.092 0.000 0.752 547 L CB -0.553 41.475 42.059 -0.052 0.000 0.896 547 L HN 0.316 nan 8.230 nan 0.000 0.433 548 L N -0.197 121.014 121.223 -0.020 0.000 2.005 548 L HA -0.196 4.146 4.340 0.004 0.000 0.207 548 L C 2.485 179.373 176.870 0.031 0.000 1.072 548 L CA 1.448 56.331 54.840 0.072 0.000 0.744 548 L CB -0.264 41.839 42.059 0.074 0.000 0.895 548 L HN 0.056 nan 8.230 nan 0.000 0.433 549 L N -1.076 120.108 121.223 -0.065 0.000 1.971 549 L HA -0.275 4.067 4.340 0.004 0.000 0.215 549 L C 2.553 179.368 176.870 -0.092 0.000 1.072 549 L CA 1.510 56.288 54.840 -0.102 0.000 0.758 549 L CB -0.901 41.019 42.059 -0.233 0.000 0.889 549 L HN 0.373 nan 8.230 nan 0.000 0.433 550 L N 0.162 121.305 121.223 -0.134 0.000 2.013 550 L HA -0.218 4.124 4.340 0.004 0.000 0.212 550 L C 2.526 179.316 176.870 -0.133 0.000 1.073 550 L CA 2.244 57.005 54.840 -0.132 0.000 0.753 550 L CB -0.772 41.179 42.059 -0.179 0.000 0.890 550 L HN 0.190 nan 8.230 nan 0.000 0.432 551 A N -2.189 120.505 122.820 -0.210 0.000 1.929 551 A HA -0.125 4.197 4.320 0.004 0.000 0.216 551 A C 1.897 179.185 177.584 -0.494 0.000 1.176 551 A CA 1.598 53.379 52.037 -0.427 0.000 0.628 551 A CB -0.546 18.049 19.000 -0.674 0.000 0.816 551 A HN 0.723 nan 8.150 nan 0.000 0.444 552 H N -1.920 117.143 119.070 -0.011 0.000 3.241 552 H HA 0.128 4.687 4.556 0.005 0.000 0.260 552 H C -0.541 174.785 175.328 -0.004 0.000 1.084 552 H CA -0.428 55.617 56.048 -0.006 0.000 1.203 552 H CB 0.155 29.910 29.762 -0.012 0.000 1.524 552 H HN 0.377 nan 8.280 nan 0.000 0.521 553 D N 1.213 121.659 120.400 0.077 0.000 2.372 553 D HA -0.020 4.623 4.640 0.004 0.000 0.243 553 D C 1.384 177.711 176.300 0.044 0.000 1.121 553 D CA 0.208 54.238 54.000 0.051 0.000 0.898 553 D CB 1.341 42.152 40.800 0.018 0.000 1.202 553 D HN 0.179 nan 8.370 nan 0.000 0.428 554 S N 1.501 117.222 115.700 0.035 0.000 2.496 554 S HA -0.044 4.428 4.470 0.004 0.000 0.224 554 S C 0.549 175.149 174.600 0.000 0.000 0.996 554 S CA -0.161 58.049 58.200 0.016 0.000 0.927 554 S CB 0.127 63.338 63.200 0.017 0.000 0.774 554 S HN 0.466 nan 8.310 nan 0.000 0.524 555 D N 0.690 121.106 120.400 0.027 0.000 2.210 555 D HA 0.677 5.319 4.640 0.004 0.000 0.249 555 D C 1.009 177.336 176.300 0.044 0.000 1.078 555 D CA 0.205 54.232 54.000 0.044 0.000 0.875 555 D CB 1.511 42.374 40.800 0.105 0.000 1.175 555 D HN 0.093 nan 8.370 nan 0.000 0.440 556 A N 3.681 126.491 122.820 -0.016 0.000 1.877 556 A HA -0.148 4.174 4.320 0.004 0.000 0.216 556 A C 1.914 179.665 177.584 0.279 0.000 1.186 556 A CA 1.054 53.057 52.037 -0.057 0.000 0.620 556 A CB -0.918 17.910 19.000 -0.286 0.000 0.822 556 A HN 0.731 nan 8.150 nan 0.000 0.443 557 F N 2.173 122.222 119.950 0.165 0.000 2.102 557 F HA -0.208 4.322 4.527 0.004 0.000 0.298 557 F C 2.685 178.679 175.800 0.322 0.000 1.105 557 F CA 2.607 60.771 58.000 0.273 0.000 1.239 557 F CB -0.874 38.263 39.000 0.228 0.000 0.991 557 F HN 0.332 nan 8.300 nan 0.000 0.474 558 T N -1.306 113.213 114.554 -0.057 0.000 2.821 558 T HA -0.150 4.203 4.350 0.004 0.000 0.267 558 T C 2.103 176.707 174.700 -0.159 0.000 1.046 558 T CA 1.313 63.287 62.100 -0.210 0.000 1.139 558 T CB -0.594 68.269 68.868 -0.009 0.000 0.871 558 T HN 0.348 nan 8.240 nan 0.000 0.454 559 R N -0.386 120.125 120.500 0.018 0.000 2.070 559 R HA -0.021 4.321 4.340 0.004 0.000 0.233 559 R C 2.224 178.541 176.300 0.029 0.000 1.137 559 R CA 1.680 57.817 56.100 0.062 0.000 0.945 559 R CB -0.614 29.835 30.300 0.249 0.000 0.845 559 R HN 0.559 nan 8.270 nan 0.000 0.430 560 W N 2.433 123.700 121.300 -0.055 0.000 2.342 560 W HA -0.231 4.432 4.660 0.004 0.000 0.297 560 W C 2.093 178.464 176.519 -0.246 0.000 1.213 560 W CA 1.800 59.056 57.345 -0.148 0.000 1.251 560 W CB -0.111 29.344 29.460 -0.008 0.000 1.136 560 W HN 0.045 nan 8.180 nan 0.000 0.526 561 E N 0.634 120.578 120.200 -0.427 0.000 2.106 561 E HA -0.152 4.201 4.350 0.004 0.000 0.192 561 E C 2.156 178.486 176.600 -0.450 0.000 0.984 561 E CA 2.070 58.102 56.400 -0.614 0.000 0.806 561 E CB -0.802 28.431 29.700 -0.779 0.000 0.750 561 E HN 0.208 nan 8.360 nan 0.000 0.458 562 A N 0.845 123.442 122.820 -0.371 0.000 1.902 562 A HA -0.038 4.284 4.320 0.004 0.000 0.217 562 A C 2.464 179.826 177.584 -0.369 0.000 1.181 562 A CA 2.147 53.984 52.037 -0.333 0.000 0.623 562 A CB -1.068 17.753 19.000 -0.299 0.000 0.818 562 A HN 0.391 nan 8.150 nan 0.000 0.443 563 A N -1.183 121.384 122.820 -0.422 0.000 1.902 563 A HA -0.184 4.138 4.320 0.004 0.000 0.217 563 A C 2.121 179.299 177.584 -0.677 0.000 1.181 563 A CA 1.672 53.362 52.037 -0.579 0.000 0.623 563 A CB -0.513 18.199 19.000 -0.480 0.000 0.818 563 A HN 0.485 nan 8.150 nan 0.000 0.443 564 Q N -0.323 119.128 119.800 -0.582 0.000 2.061 564 Q HA -0.156 4.186 4.340 0.004 0.000 0.204 564 Q C 2.241 178.081 176.000 -0.267 0.000 0.984 564 Q CA 2.205 57.740 55.803 -0.446 0.000 0.846 564 Q CB -1.171 27.112 28.738 -0.757 0.000 0.902 564 Q HN 0.696 nan 8.270 nan 0.000 0.421 565 T N 1.899 116.290 114.554 -0.271 0.000 2.708 565 T HA -0.091 4.262 4.350 0.004 0.000 0.266 565 T C 2.132 176.748 174.700 -0.140 0.000 1.037 565 T CA 0.855 62.867 62.100 -0.148 0.000 1.146 565 T CB -0.315 68.487 68.868 -0.111 0.000 0.865 565 T HN 0.152 nan 8.240 nan 0.000 0.435 566 L N -0.323 120.754 121.223 -0.243 0.000 2.043 566 L HA -0.169 4.174 4.340 0.004 0.000 0.212 566 L C 2.491 179.255 176.870 -0.177 0.000 1.075 566 L CA 1.545 56.240 54.840 -0.242 0.000 0.752 566 L CB -0.598 41.241 42.059 -0.365 0.000 0.891 566 L HN 0.276 nan 8.230 nan 0.000 0.432 567 Y N -0.507 119.717 120.300 -0.127 0.000 2.200 567 Y HA -0.225 4.327 4.550 0.005 0.000 0.290 567 Y C 2.765 178.608 175.900 -0.095 0.000 1.137 567 Y CA 1.262 59.288 58.100 -0.124 0.000 1.163 567 Y CB -0.695 37.686 38.460 -0.132 0.000 0.988 567 Y HN 0.125 nan 8.280 nan 0.000 0.518 568 R N 0.736 121.279 120.500 0.070 0.000 2.081 568 R HA -0.147 4.196 4.340 0.004 0.000 0.235 568 R C 2.171 178.501 176.300 0.051 0.000 1.131 568 R CA 1.550 57.679 56.100 0.047 0.000 0.960 568 R CB -0.126 30.187 30.300 0.022 0.000 0.856 568 R HN 0.247 nan 8.270 nan 0.000 0.436 569 R N 0.006 120.525 120.500 0.033 0.000 2.092 569 R HA -0.016 4.327 4.340 0.004 0.000 0.231 569 R C 2.424 178.766 176.300 0.070 0.000 1.119 569 R CA 1.183 57.310 56.100 0.046 0.000 0.970 569 R CB -0.345 29.974 30.300 0.032 0.000 0.864 569 R HN 0.280 nan 8.270 nan 0.000 0.440 570 A N 0.901 123.749 122.820 0.047 0.000 1.883 570 A HA -0.140 4.182 4.320 0.004 0.000 0.217 570 A C 2.362 179.990 177.584 0.073 0.000 1.186 570 A CA 1.595 53.647 52.037 0.025 0.000 0.624 570 A CB -0.610 18.231 19.000 -0.265 0.000 0.822 570 A HN 0.117 nan 8.150 nan 0.000 0.444 571 V N -0.187 119.750 119.914 0.038 0.000 2.358 571 V HA -0.223 3.899 4.120 0.004 0.000 0.246 571 V C 3.047 179.176 176.094 0.059 0.000 1.047 571 V CA 1.818 64.147 62.300 0.047 0.000 1.035 571 V CB -1.329 30.526 31.823 0.054 0.000 0.658 571 V HN 0.629 nan 8.190 nan 0.000 0.452 572 A N 0.295 123.157 122.820 0.070 0.000 1.883 572 A HA -0.197 4.126 4.320 0.004 0.000 0.217 572 A C 2.444 180.057 177.584 0.048 0.000 1.186 572 A CA 2.375 54.446 52.037 0.057 0.000 0.624 572 A CB -0.891 18.149 19.000 0.067 0.000 0.822 572 A HN 0.588 nan 8.150 nan 0.000 0.444 573 A N 0.040 122.910 122.820 0.083 0.000 1.933 573 A HA -0.197 4.126 4.320 0.004 0.000 0.218 573 A C 1.885 179.509 177.584 0.066 0.000 1.175 573 A CA 1.900 53.985 52.037 0.080 0.000 0.628 573 A CB -0.659 18.413 19.000 0.119 0.000 0.814 573 A HN 0.560 nan 8.150 nan 0.000 0.444 574 N N 0.218 118.984 118.700 0.109 0.000 2.120 574 N HA -0.093 4.650 4.740 0.004 0.000 0.188 574 N C 1.572 177.085 175.510 0.004 0.000 1.024 574 N CA 1.234 54.324 53.050 0.067 0.000 0.852 574 N CB -0.551 37.985 38.487 0.082 0.000 1.003 574 N HN 0.500 nan 8.380 nan 0.000 0.424 575 L N 0.435 121.644 121.223 -0.023 0.000 2.079 575 L HA -0.164 4.179 4.340 0.004 0.000 0.210 575 L C 2.302 179.138 176.870 -0.056 0.000 1.081 575 L CA 1.205 55.996 54.840 -0.081 0.000 0.752 575 L CB -0.454 41.515 42.059 -0.150 0.000 0.896 575 L HN 0.154 nan 8.230 nan 0.000 0.433 576 A N 0.084 122.886 122.820 -0.030 0.000 1.858 576 A HA -0.241 4.081 4.320 0.004 0.000 0.216 576 A C 2.448 180.019 177.584 -0.022 0.000 1.190 576 A CA 2.453 54.477 52.037 -0.022 0.000 0.617 576 A CB -1.079 17.915 19.000 -0.011 0.000 0.827 576 A HN 0.519 nan 8.150 nan 0.000 0.443 577 T N -1.508 113.034 114.554 -0.020 0.000 2.821 577 T HA -0.041 4.312 4.350 0.004 0.000 0.267 577 T C 1.840 176.528 174.700 -0.021 0.000 1.046 577 T CA 1.421 63.508 62.100 -0.023 0.000 1.139 577 T CB -0.591 68.260 68.868 -0.028 0.000 0.871 577 T HN 0.252 nan 8.240 nan 0.000 0.454 578 L N 1.134 122.345 121.223 -0.021 0.000 2.083 578 L HA -0.046 4.297 4.340 0.004 0.000 0.209 578 L C 3.220 180.076 176.870 -0.024 0.000 1.083 578 L CA 1.336 56.164 54.840 -0.021 0.000 0.752 578 L CB -0.701 41.344 42.059 -0.024 0.000 0.899 578 L HN 0.339 nan 8.230 nan 0.000 0.433 579 S N -0.330 115.352 115.700 -0.030 0.000 2.368 579 S HA -0.191 4.282 4.470 0.004 0.000 0.225 579 S C 1.528 176.116 174.600 -0.020 0.000 1.030 579 S CA 1.536 59.719 58.200 -0.027 0.000 0.999 579 S CB -0.194 62.987 63.200 -0.032 0.000 0.844 579 S HN 0.405 nan 8.310 nan 0.000 0.459 580 D N 0.542 120.931 120.400 -0.019 0.000 2.348 580 D HA 0.147 4.789 4.640 0.004 0.000 0.216 580 D C 1.377 177.668 176.300 -0.015 0.000 0.970 580 D CA 0.900 54.890 54.000 -0.016 0.000 0.889 580 D CB -0.572 40.218 40.800 -0.016 0.000 0.912 580 D HN 0.547 nan 8.370 nan 0.000 0.524 581 G N 0.689 109.480 108.800 -0.015 0.000 2.273 581 G HA2 -0.212 3.751 3.960 0.004 0.000 0.280 581 G HA3 -0.212 3.751 3.960 0.004 0.000 0.280 581 G C 0.465 175.357 174.900 -0.014 0.000 1.047 581 G CA 0.685 45.777 45.100 -0.013 0.000 0.869 581 G HN 0.451 nan 8.290 nan 0.000 0.502 582 V N -3.987 115.918 119.914 -0.016 0.000 3.166 582 V HA 0.836 4.959 4.120 0.004 0.000 0.317 582 V C 0.798 176.879 176.094 -0.021 0.000 1.136 582 V CA -0.993 61.296 62.300 -0.019 0.000 1.035 582 V CB 1.682 33.492 31.823 -0.021 0.000 1.110 582 V HN 0.428 nan 8.190 nan 0.000 0.450 583 E N 0.360 120.546 120.200 -0.024 0.000 2.492 583 E HA 0.114 4.467 4.350 0.004 0.000 0.266 583 E C -0.499 176.079 176.600 -0.037 0.000 1.047 583 E CA -0.113 56.270 56.400 -0.027 0.000 0.968 583 E CB 0.428 30.110 29.700 -0.031 0.000 0.960 583 E HN 0.594 nan 8.360 nan 0.000 0.452 584 L N 4.780 125.983 121.223 -0.034 0.000 2.483 584 L HA 0.130 4.472 4.340 0.004 0.000 0.275 584 L C -1.826 174.972 176.870 -0.120 0.000 1.220 584 L CA -1.500 53.312 54.840 -0.046 0.000 0.833 584 L CB -0.118 41.938 42.059 -0.005 0.000 1.102 584 L HN 0.543 nan 8.230 nan 0.000 0.490 585 P HA 0.068 nan 4.420 nan 0.000 0.271 585 P C -0.234 176.786 177.300 -0.467 0.000 1.233 585 P CA -0.237 62.635 63.100 -0.380 0.000 0.789 585 P CB 0.540 31.895 31.700 -0.574 0.000 0.951 586 K N -0.390 119.804 120.400 -0.342 0.000 2.228 586 K HA -0.059 4.263 4.320 0.004 0.000 0.202 586 K C 0.090 176.584 176.600 -0.176 0.000 1.051 586 K CA 0.415 56.574 56.287 -0.213 0.000 0.960 586 K CB -0.298 32.130 32.500 -0.120 0.000 0.743 586 K HN 0.536 nan 8.250 nan 0.000 0.458 587 H N 0.343 119.382 119.070 -0.051 0.000 2.741 587 H HA -0.173 4.385 4.556 0.003 0.000 0.305 587 H C 0.596 175.882 175.328 -0.069 0.000 1.169 587 H CA 1.018 57.036 56.048 -0.050 0.000 1.144 587 H CB -1.921 27.816 29.762 -0.042 0.000 1.397 587 H HN 0.496 nan 8.280 nan 0.000 0.409 588 E N 0.845 121.049 120.200 0.005 0.000 2.070 588 E HA -0.199 4.154 4.350 0.004 0.000 0.197 588 E C 2.010 178.614 176.600 0.006 0.000 1.004 588 E CA 1.546 57.938 56.400 -0.013 0.000 0.805 588 E CB 0.018 29.708 29.700 -0.017 0.000 0.744 588 E HN 0.523 nan 8.360 nan 0.000 0.451 589 K N 0.279 120.688 120.400 0.015 0.000 2.057 589 K HA -0.133 4.189 4.320 0.004 0.000 0.206 589 K C 2.283 178.883 176.600 -0.001 0.000 1.050 589 K CA 0.719 57.010 56.287 0.007 0.000 0.935 589 K CB -0.196 32.306 32.500 0.003 0.000 0.715 589 K HN 0.047 nan 8.250 nan 0.000 0.439 590 L N 1.630 122.860 121.223 0.012 0.000 2.017 590 L HA -0.163 4.180 4.340 0.004 0.000 0.208 590 L C 1.928 178.817 176.870 0.032 0.000 1.073 590 L CA 1.552 56.386 54.840 -0.011 0.000 0.745 590 L CB -0.359 41.696 42.059 -0.007 0.000 0.894 590 L HN 0.098 nan 8.230 nan 0.000 0.432 591 L N -0.567 120.689 121.223 0.054 0.000 2.131 591 L HA -0.171 4.171 4.340 0.004 0.000 0.210 591 L C 2.698 179.685 176.870 0.194 0.000 1.092 591 L CA 1.048 55.963 54.840 0.124 0.000 0.759 591 L CB -1.031 40.937 42.059 -0.152 0.000 0.903 591 L HN 0.403 nan 8.230 nan 0.000 0.435 592 A N 0.251 123.122 122.820 0.084 0.000 1.877 592 A HA -0.179 4.144 4.320 0.004 0.000 0.216 592 A C 2.566 180.160 177.584 0.018 0.000 1.186 592 A CA 1.824 53.899 52.037 0.063 0.000 0.620 592 A CB -0.728 18.289 19.000 0.027 0.000 0.822 592 A HN 0.388 nan 8.150 nan 0.000 0.443 593 A N -0.674 122.135 122.820 -0.018 0.000 1.902 593 A HA 0.011 4.334 4.320 0.004 0.000 0.217 593 A C 2.220 179.746 177.584 -0.097 0.000 1.181 593 A CA 1.811 53.803 52.037 -0.074 0.000 0.623 593 A CB -0.892 18.039 19.000 -0.115 0.000 0.818 593 A HN 0.409 nan 8.150 nan 0.000 0.443 594 V N 0.133 120.005 119.914 -0.070 0.000 2.427 594 V HA -0.192 3.930 4.120 0.004 0.000 0.248 594 V C 2.605 178.480 176.094 -0.366 0.000 1.051 594 V CA 1.986 64.197 62.300 -0.148 0.000 1.048 594 V CB -0.630 31.171 31.823 -0.037 0.000 0.666 594 V HN 0.621 nan 8.190 nan 0.000 0.456 595 E N 0.960 120.989 120.200 -0.286 0.000 2.058 595 E HA -0.293 4.059 4.350 0.004 0.000 0.194 595 E C 2.299 178.772 176.600 -0.212 0.000 0.997 595 E CA 1.894 58.109 56.400 -0.309 0.000 0.801 595 E CB -0.134 29.607 29.700 0.068 0.000 0.746 595 E HN 0.602 nan 8.360 nan 0.000 0.450 596 K N 0.100 120.424 120.400 -0.127 0.000 2.074 596 K HA -0.137 4.185 4.320 0.004 0.000 0.209 596 K C 2.172 178.698 176.600 -0.124 0.000 1.048 596 K CA 1.489 57.712 56.287 -0.106 0.000 0.926 596 K CB 0.004 32.450 32.500 -0.091 0.000 0.713 596 K HN -0.010 nan 8.250 nan 0.000 0.444 597 V N 1.287 121.112 119.914 -0.149 0.000 2.307 597 V HA -0.233 3.890 4.120 0.004 0.000 0.245 597 V C 2.231 178.246 176.094 -0.131 0.000 1.045 597 V CA 1.743 63.968 62.300 -0.126 0.000 1.024 597 V CB -0.303 31.451 31.823 -0.114 0.000 0.651 597 V HN 0.322 nan 8.190 nan 0.000 0.449 598 I N 0.299 120.731 120.570 -0.230 0.000 2.151 598 I HA -0.260 3.913 4.170 0.004 0.000 0.243 598 I C 2.266 178.286 176.117 -0.161 0.000 1.080 598 I CA 1.917 63.060 61.300 -0.262 0.000 1.339 598 I CB -0.353 37.298 38.000 -0.582 0.000 1.039 598 I HN 0.254 nan 8.210 nan 0.000 0.409 599 S N -0.910 114.696 115.700 -0.156 0.000 2.562 599 S HA -0.030 4.443 4.470 0.004 0.000 0.221 599 S C 0.523 175.096 174.600 -0.045 0.000 0.975 599 S CA 0.021 58.167 58.200 -0.090 0.000 0.918 599 S CB -0.344 62.804 63.200 -0.087 0.000 0.772 599 S HN 0.343 nan 8.310 nan 0.000 0.531 600 D N 1.893 122.267 120.400 -0.043 0.000 2.295 600 D HA 0.156 4.799 4.640 0.004 0.000 0.248 600 D C -0.136 176.174 176.300 0.017 0.000 1.154 600 D CA -0.193 53.798 54.000 -0.015 0.000 0.857 600 D CB 0.779 41.565 40.800 -0.024 0.000 1.117 600 D HN -0.121 nan 8.370 nan 0.000 0.468 601 D N 3.190 123.610 120.400 0.033 0.000 2.360 601 D HA -0.026 4.617 4.640 0.004 0.000 0.210 601 D C 1.609 177.946 176.300 0.062 0.000 1.047 601 D CA -0.060 53.980 54.000 0.066 0.000 0.854 601 D CB 0.433 41.276 40.800 0.073 0.000 0.936 601 D HN 0.304 nan 8.370 nan 0.000 0.514 602 L N 0.381 121.629 121.223 0.041 0.000 2.395 602 L HA 0.123 4.465 4.340 0.004 0.000 0.218 602 L C 0.487 177.377 176.870 0.034 0.000 1.130 602 L CA 0.553 55.414 54.840 0.035 0.000 0.826 602 L CB -0.112 41.963 42.059 0.027 0.000 0.941 602 L HN -0.059 nan 8.230 nan 0.000 0.451 603 L N 0.927 122.176 121.223 0.044 0.000 2.418 603 L HA 0.020 4.362 4.340 0.004 0.000 0.274 603 L C 0.528 177.410 176.870 0.021 0.000 1.135 603 L CA -0.092 54.790 54.840 0.071 0.000 0.870 603 L CB 0.051 42.159 42.059 0.081 0.000 1.154 603 L HN 0.143 nan 8.230 nan 0.000 0.462 604 D N 3.773 124.186 120.400 0.022 0.000 2.648 604 D HA -0.140 4.502 4.640 0.004 0.000 0.229 604 D C 0.891 177.129 176.300 -0.102 0.000 1.119 604 D CA 0.045 54.010 54.000 -0.059 0.000 0.850 604 D CB 0.792 41.579 40.800 -0.022 0.000 1.169 604 D HN 0.583 nan 8.370 nan 0.000 0.489 605 N N 4.291 122.789 118.700 -0.337 0.000 2.104 605 N HA -0.208 4.534 4.740 0.004 0.000 0.190 605 N C 1.608 177.012 175.510 -0.176 0.000 1.024 605 N CA 1.456 54.266 53.050 -0.400 0.000 0.853 605 N CB -0.582 37.334 38.487 -0.951 0.000 1.008 605 N HN 0.478 nan 8.380 nan 0.000 0.424 606 A N 0.648 123.380 122.820 -0.147 0.000 1.968 606 A HA -0.008 4.315 4.320 0.004 0.000 0.217 606 A C 1.980 179.588 177.584 0.040 0.000 1.169 606 A CA 0.493 52.500 52.037 -0.051 0.000 0.638 606 A CB -0.762 18.204 19.000 -0.057 0.000 0.812 606 A HN 0.234 nan 8.150 nan 0.000 0.446 607 F N 0.787 120.682 119.950 -0.092 0.000 2.146 607 F HA -0.063 4.468 4.527 0.005 0.000 0.298 607 F C 2.111 177.912 175.800 0.002 0.000 1.096 607 F CA 1.859 59.829 58.000 -0.050 0.000 1.275 607 F CB -0.287 38.680 39.000 -0.054 0.000 1.008 607 F HN 0.202 nan 8.300 nan 0.000 0.480 608 K N 0.290 120.667 120.400 -0.039 0.000 2.059 608 K HA -0.259 4.064 4.320 0.004 0.000 0.212 608 K C 2.228 178.800 176.600 -0.046 0.000 1.050 608 K CA 1.629 57.868 56.287 -0.081 0.000 0.927 608 K CB -0.538 31.956 32.500 -0.009 0.000 0.714 608 K HN 0.320 nan 8.250 nan 0.000 0.447 609 A N 1.060 123.877 122.820 -0.006 0.000 1.908 609 A HA -0.151 4.172 4.320 0.004 0.000 0.218 609 A C 2.139 179.741 177.584 0.030 0.000 1.181 609 A CA 1.505 53.561 52.037 0.032 0.000 0.627 609 A CB -0.604 18.410 19.000 0.024 0.000 0.818 609 A HN 0.338 nan 8.150 nan 0.000 0.445 610 L N -0.674 120.546 121.223 -0.004 0.000 2.046 610 L HA -0.165 4.178 4.340 0.004 0.000 0.208 610 L C 2.462 179.435 176.870 0.172 0.000 1.077 610 L CA 1.041 55.921 54.840 0.067 0.000 0.747 610 L CB -0.541 41.499 42.059 -0.031 0.000 0.896 610 L HN 0.359 nan 8.230 nan 0.000 0.432 611 L N -0.431 120.777 121.223 -0.026 0.000 2.187 611 L HA -0.203 4.140 4.340 0.004 0.000 0.213 611 L C 1.962 178.936 176.870 0.172 0.000 1.100 611 L CA 0.985 55.819 54.840 -0.011 0.000 0.765 611 L CB -0.337 41.580 42.059 -0.236 0.000 0.904 611 L HN 0.325 nan 8.230 nan 0.000 0.437 612 L N -0.542 120.779 121.223 0.164 0.000 2.611 612 L HA 0.202 4.544 4.340 0.004 0.000 0.229 612 L C 1.088 178.025 176.870 0.112 0.000 1.137 612 L CA -0.443 54.538 54.840 0.234 0.000 0.901 612 L CB -0.359 41.873 42.059 0.289 0.000 1.098 612 L HN 0.096 nan 8.230 nan 0.000 0.456 613 G N 0.165 109.011 108.800 0.078 0.000 2.332 613 G HA2 0.482 4.444 3.960 0.004 0.000 0.310 613 G HA3 0.482 4.444 3.960 0.004 0.000 0.310 613 G C -0.659 174.126 174.900 -0.192 0.000 1.123 613 G CA -0.235 44.843 45.100 -0.037 0.000 0.873 613 G HN -0.141 nan 8.290 nan 0.000 0.460 614 V N 4.732 124.447 119.914 -0.332 0.000 2.439 614 V HA 0.278 4.400 4.120 0.004 0.000 0.282 614 V C -1.695 174.289 176.094 -0.183 0.000 1.039 614 V CA -1.457 60.586 62.300 -0.429 0.000 0.913 614 V CB 1.605 33.154 31.823 -0.457 0.000 0.983 614 V HN 0.620 nan 8.190 nan 0.000 0.460 615 P HA 0.033 nan 4.420 nan 0.000 0.266 615 P C 0.063 177.286 177.300 -0.128 0.000 1.186 615 P CA 0.182 63.223 63.100 -0.099 0.000 0.767 615 P CB 0.241 31.889 31.700 -0.087 0.000 0.820 616 S N 1.157 116.765 115.700 -0.154 0.000 2.608 616 S HA 0.073 4.545 4.470 0.004 0.000 0.261 616 S C 1.195 175.611 174.600 -0.306 0.000 1.314 616 S CA -0.257 57.824 58.200 -0.198 0.000 0.992 616 S CB 0.397 63.469 63.200 -0.214 0.000 0.935 616 S HN 0.336 nan 8.310 nan 0.000 0.564 617 E N 1.391 121.371 120.200 -0.367 0.000 2.070 617 E HA -0.145 4.208 4.350 0.004 0.000 0.197 617 E C 2.345 178.058 176.600 -1.479 0.000 1.004 617 E CA 1.874 57.868 56.400 -0.676 0.000 0.805 617 E CB -0.871 28.511 29.700 -0.529 0.000 0.744 617 E HN 0.787 nan 8.360 nan 0.000 0.451 618 A N 0.937 122.914 122.820 -1.406 0.000 1.908 618 A HA -0.291 4.032 4.320 0.004 0.000 0.218 618 A C 1.994 179.129 177.584 -0.749 0.000 1.181 618 A CA 1.867 53.107 52.037 -1.329 0.000 0.627 618 A CB -0.548 18.171 19.000 -0.468 0.000 0.818 618 A HN 0.249 nan 8.150 nan 0.000 0.445 619 E N -0.381 119.545 120.200 -0.457 0.000 2.110 619 E HA -0.145 4.207 4.350 0.004 0.000 0.193 619 E C 1.908 178.389 176.600 -0.198 0.000 0.988 619 E CA 1.163 57.429 56.400 -0.223 0.000 0.804 619 E CB -0.266 29.339 29.700 -0.158 0.000 0.745 619 E HN 0.659 nan 8.360 nan 0.000 0.458 620 L N -0.104 120.942 121.223 -0.296 0.000 2.109 620 L HA -0.105 4.238 4.340 0.004 0.000 0.207 620 L C 2.166 178.983 176.870 -0.088 0.000 1.086 620 L CA 0.806 55.585 54.840 -0.102 0.000 0.760 620 L CB -0.339 41.734 42.059 0.023 0.000 0.910 620 L HN 0.391 nan 8.230 nan 0.000 0.437 621 W N -0.577 120.489 121.300 -0.390 0.000 3.290 621 W HA 0.239 4.900 4.660 0.002 0.000 0.287 621 W C 0.328 176.728 176.519 -0.198 0.000 1.288 621 W CA -1.590 55.408 57.345 -0.579 0.000 1.725 621 W CB -1.436 27.426 29.460 -0.996 0.000 1.103 621 W HN -0.024 nan 8.180 nan 0.000 0.670 622 D N 1.278 121.746 120.400 0.113 0.000 2.520 622 D HA 0.274 4.916 4.640 0.004 0.000 0.243 622 D C 1.658 178.033 176.300 0.124 0.000 1.160 622 D CA 2.512 56.608 54.000 0.160 0.000 0.877 622 D CB 0.314 41.200 40.800 0.143 0.000 1.150 622 D HN 0.477 nan 8.370 nan 0.000 0.494 623 G N 2.213 111.088 108.800 0.126 0.000 2.175 623 G HA2 -0.120 3.843 3.960 0.004 0.000 0.244 623 G HA3 -0.120 3.843 3.960 0.004 0.000 0.244 623 G C 0.380 175.331 174.900 0.085 0.000 0.982 623 G CA 0.172 45.320 45.100 0.079 0.000 0.641 623 G HN 0.929 nan 8.290 nan 0.000 0.527 624 A N -0.360 122.526 122.820 0.110 0.000 2.279 624 A HA 0.790 5.112 4.320 0.004 0.000 0.303 624 A C 0.175 177.794 177.584 0.059 0.000 1.108 624 A CA -0.274 51.829 52.037 0.110 0.000 0.830 624 A CB 0.836 19.946 19.000 0.184 0.000 1.106 624 A HN 0.235 nan 8.150 nan 0.000 0.493 625 E N 0.843 121.076 120.200 0.056 0.000 2.299 625 E HA 0.309 4.662 4.350 0.004 0.000 0.265 625 E C -0.834 175.780 176.600 0.023 0.000 0.911 625 E CA -0.859 55.556 56.400 0.025 0.000 0.789 625 E CB 1.114 30.831 29.700 0.028 0.000 1.246 625 E HN 0.657 nan 8.360 nan 0.000 0.427 626 N N 0.897 119.593 118.700 -0.006 0.000 2.727 626 N HA -0.204 4.538 4.740 0.004 0.000 0.251 626 N C -0.469 175.042 175.510 0.001 0.000 1.040 626 N CA 0.545 53.593 53.050 -0.003 0.000 0.712 626 N CB -1.465 37.031 38.487 0.016 0.000 0.912 626 N HN 0.482 nan 8.380 nan 0.000 0.545 627 I N 0.660 121.194 120.570 -0.061 0.000 2.471 627 I HA -0.005 4.167 4.170 0.004 0.000 0.286 627 I C 0.859 176.922 176.117 -0.090 0.000 1.079 627 I CA 0.054 61.305 61.300 -0.081 0.000 1.398 627 I CB 0.564 38.309 38.000 -0.425 0.000 1.403 627 I HN 0.002 nan 8.210 nan 0.000 0.530 628 D N 9.610 130.033 120.400 0.039 0.000 2.428 628 D HA 0.230 4.872 4.640 0.004 0.000 0.221 628 D C -1.816 174.532 176.300 0.080 0.000 1.123 628 D CA -2.355 51.659 54.000 0.024 0.000 0.869 628 D CB 1.571 42.400 40.800 0.049 0.000 1.032 628 D HN 0.164 nan 8.370 nan 0.000 0.506 629 P HA -0.083 nan 4.420 nan 0.000 0.218 629 P C 1.542 179.012 177.300 0.283 0.000 1.149 629 P CA 0.435 63.509 63.100 -0.044 0.000 0.817 629 P CB 0.411 31.776 31.700 -0.559 0.000 0.785 630 L N -0.936 120.385 121.223 0.162 0.000 2.141 630 L HA -0.107 4.236 4.340 0.004 0.000 0.209 630 L C 2.537 179.524 176.870 0.195 0.000 1.094 630 L CA 1.709 56.659 54.840 0.183 0.000 0.763 630 L CB -0.743 41.372 42.059 0.094 0.000 0.908 630 L HN -0.148 nan 8.230 nan 0.000 0.437 631 R N -1.917 118.668 120.500 0.142 0.000 2.081 631 R HA -0.182 4.161 4.340 0.004 0.000 0.235 631 R C 2.280 178.607 176.300 0.045 0.000 1.131 631 R CA 1.649 57.778 56.100 0.048 0.000 0.960 631 R CB -0.546 29.726 30.300 -0.047 0.000 0.856 631 R HN 0.281 nan 8.270 nan 0.000 0.436 632 Y N -0.635 119.783 120.300 0.197 0.000 2.145 632 Y HA -0.259 4.294 4.550 0.005 0.000 0.286 632 Y C 2.551 178.557 175.900 0.176 0.000 1.145 632 Y CA 1.906 60.140 58.100 0.225 0.000 1.148 632 Y CB -0.570 38.141 38.460 0.418 0.000 0.981 632 Y HN 0.212 nan 8.280 nan 0.000 0.507 633 H N 0.233 119.476 119.070 0.288 0.000 2.319 633 H HA -0.232 4.325 4.556 0.002 0.000 0.297 633 H C 2.328 177.705 175.328 0.082 0.000 1.097 633 H CA 2.391 58.533 56.048 0.156 0.000 1.285 633 H CB -0.258 29.590 29.762 0.143 0.000 1.368 633 H HN 0.394 nan 8.280 nan 0.000 0.495 634 Q N -0.305 119.517 119.800 0.037 0.000 2.084 634 Q HA -0.153 4.190 4.340 0.004 0.000 0.202 634 Q C 2.351 178.312 176.000 -0.065 0.000 0.978 634 Q CA 1.414 57.187 55.803 -0.049 0.000 0.844 634 Q CB -0.264 28.484 28.738 0.017 0.000 0.898 634 Q HN 0.593 nan 8.270 nan 0.000 0.426 635 A N 1.073 123.875 122.820 -0.029 0.000 1.898 635 A HA -0.176 4.147 4.320 0.004 0.000 0.216 635 A C 2.130 179.697 177.584 -0.030 0.000 1.181 635 A CA 1.363 53.386 52.037 -0.024 0.000 0.620 635 A CB -0.570 18.410 19.000 -0.033 0.000 0.819 635 A HN 0.392 nan 8.150 nan 0.000 0.442 636 R N -0.509 119.968 120.500 -0.038 0.000 2.066 636 R HA -0.126 4.216 4.340 0.004 0.000 0.232 636 R C 2.016 178.247 176.300 -0.114 0.000 1.131 636 R CA 1.451 57.511 56.100 -0.065 0.000 0.955 636 R CB -0.222 30.046 30.300 -0.054 0.000 0.851 636 R HN 0.454 nan 8.270 nan 0.000 0.432 637 E N 0.474 120.554 120.200 -0.200 0.000 2.070 637 E HA -0.225 4.127 4.350 0.004 0.000 0.197 637 E C 1.874 178.420 176.600 -0.090 0.000 1.004 637 E CA 1.479 57.760 56.400 -0.198 0.000 0.805 637 E CB -0.340 29.168 29.700 -0.321 0.000 0.744 637 E HN 0.461 nan 8.360 nan 0.000 0.451 638 A N 1.349 124.131 122.820 -0.063 0.000 1.883 638 A HA -0.193 4.130 4.320 0.004 0.000 0.217 638 A C 2.274 179.865 177.584 0.011 0.000 1.186 638 A CA 1.583 53.614 52.037 -0.011 0.000 0.624 638 A CB -0.719 18.284 19.000 0.006 0.000 0.822 638 A HN 0.259 nan 8.150 nan 0.000 0.444 639 L N -0.205 121.013 121.223 -0.008 0.000 2.012 639 L HA -0.143 4.200 4.340 0.004 0.000 0.210 639 L C 2.317 179.194 176.870 0.011 0.000 1.073 639 L CA 1.809 56.632 54.840 -0.028 0.000 0.748 639 L CB -0.612 41.400 42.059 -0.079 0.000 0.891 639 L HN 0.421 nan 8.230 nan 0.000 0.431 640 L N -0.787 120.443 121.223 0.012 0.000 2.017 640 L HA -0.203 4.139 4.340 0.004 0.000 0.208 640 L C 2.282 179.247 176.870 0.158 0.000 1.073 640 L CA 1.356 56.258 54.840 0.103 0.000 0.745 640 L CB -0.824 41.238 42.059 0.006 0.000 0.894 640 L HN 0.276 nan 8.230 nan 0.000 0.432 641 D N -0.668 119.779 120.400 0.078 0.000 2.144 641 D HA -0.153 4.489 4.640 0.004 0.000 0.199 641 D C 2.158 178.518 176.300 0.101 0.000 0.984 641 D CA 1.544 55.595 54.000 0.084 0.000 0.834 641 D CB -0.217 40.608 40.800 0.042 0.000 0.955 641 D HN 0.250 nan 8.370 nan 0.000 0.465 642 T N 1.032 115.637 114.554 0.085 0.000 2.708 642 T HA -0.057 4.296 4.350 0.004 0.000 0.266 642 T C 2.229 176.994 174.700 0.108 0.000 1.037 642 T CA 0.529 62.679 62.100 0.083 0.000 1.146 642 T CB -0.266 68.649 68.868 0.079 0.000 0.865 642 T HN 0.119 nan 8.240 nan 0.000 0.435 643 L N 0.729 122.027 121.223 0.124 0.000 2.083 643 L HA -0.116 4.226 4.340 0.004 0.000 0.209 643 L C 3.018 180.049 176.870 0.268 0.000 1.083 643 L CA 1.220 56.171 54.840 0.185 0.000 0.752 643 L CB -0.684 41.395 42.059 0.034 0.000 0.899 643 L HN 0.245 nan 8.230 nan 0.000 0.433 644 A N -0.333 122.609 122.820 0.203 0.000 1.858 644 A HA -0.142 4.181 4.320 0.004 0.000 0.216 644 A C 2.310 180.098 177.584 0.339 0.000 1.190 644 A CA 1.918 54.127 52.037 0.286 0.000 0.617 644 A CB -0.805 18.356 19.000 0.268 0.000 0.827 644 A HN 0.175 nan 8.150 nan 0.000 0.443 645 V N -0.774 119.263 119.914 0.206 0.000 2.323 645 V HA -0.212 3.911 4.120 0.004 0.000 0.244 645 V C 2.440 178.578 176.094 0.072 0.000 1.041 645 V CA 2.329 64.709 62.300 0.133 0.000 1.025 645 V CB -1.047 30.827 31.823 0.085 0.000 0.656 645 V HN 0.814 nan 8.190 nan 0.000 0.451 646 H N -0.126 118.894 119.070 -0.084 0.000 2.353 646 H HA -0.165 4.393 4.556 0.003 0.000 0.298 646 H C 1.310 176.349 175.328 -0.482 0.000 1.103 646 H CA 2.107 57.939 56.048 -0.360 0.000 1.293 646 H CB -0.065 29.340 29.762 -0.595 0.000 1.372 646 H HN 0.436 nan 8.280 nan 0.000 0.501 647 F N -0.508 119.432 119.950 -0.017 0.000 2.684 647 F HA 0.142 4.672 4.527 0.005 0.000 0.298 647 F C 1.340 176.957 175.800 -0.305 0.000 1.120 647 F CA -0.295 57.498 58.000 -0.345 0.000 1.332 647 F CB 0.039 38.571 39.000 -0.781 0.000 0.986 647 F HN 0.134 nan 8.300 nan 0.000 0.524 648 L N 2.628 123.954 121.223 0.171 0.000 1.976 648 L HA -0.162 4.181 4.340 0.004 0.000 0.223 648 L C -0.682 176.327 176.870 0.231 0.000 1.081 648 L CA 2.586 57.597 54.840 0.284 0.000 0.784 648 L CB -1.682 40.499 42.059 0.203 0.000 0.896 648 L HN -0.039 nan 8.230 nan 0.000 0.438 649 P HA -0.148 nan 4.420 nan 0.000 0.220 649 P C 1.271 178.631 177.300 0.100 0.000 1.148 649 P CA 1.613 64.815 63.100 0.169 0.000 0.803 649 P CB -0.093 31.641 31.700 0.056 0.000 0.782 650 K N -1.792 118.584 120.400 -0.040 0.000 2.217 650 K HA -0.090 4.232 4.320 0.004 0.000 0.202 650 K C 1.894 178.387 176.600 -0.178 0.000 1.051 650 K CA 1.035 57.227 56.287 -0.158 0.000 0.952 650 K CB -0.400 31.927 32.500 -0.288 0.000 0.736 650 K HN 0.243 nan 8.250 nan 0.000 0.453 651 W N 0.312 121.633 121.300 0.036 0.000 2.388 651 W HA -0.120 4.542 4.660 0.004 0.000 0.294 651 W C 2.219 178.725 176.519 -0.023 0.000 1.212 651 W CA 0.298 57.639 57.345 -0.007 0.000 1.271 651 W CB -0.221 29.223 29.460 -0.027 0.000 1.126 651 W HN 0.189 nan 8.180 nan 0.000 0.535 652 H N 0.049 119.252 119.070 0.222 0.000 2.353 652 H HA -0.132 4.426 4.556 0.004 0.000 0.300 652 H C 1.874 177.254 175.328 0.087 0.000 1.090 652 H CA 1.843 57.961 56.048 0.116 0.000 1.327 652 H CB -0.410 29.380 29.762 0.045 0.000 1.383 652 H HN 0.333 nan 8.280 nan 0.000 0.508 653 E N 0.080 120.392 120.200 0.185 0.000 2.047 653 E HA -0.130 4.222 4.350 0.004 0.000 0.191 653 E C 2.175 178.829 176.600 0.090 0.000 0.987 653 E CA 0.373 56.832 56.400 0.097 0.000 0.799 653 E CB 0.065 29.791 29.700 0.043 0.000 0.752 653 E HN 0.061 nan 8.360 nan 0.000 0.449 654 L N 1.647 122.933 121.223 0.106 0.000 2.046 654 L HA -0.192 4.150 4.340 0.004 0.000 0.208 654 L C 1.953 178.927 176.870 0.173 0.000 1.077 654 L CA 1.691 56.616 54.840 0.141 0.000 0.747 654 L CB -0.870 41.296 42.059 0.178 0.000 0.896 654 L HN 0.132 nan 8.230 nan 0.000 0.432 655 N N -0.160 118.653 118.700 0.187 0.000 2.069 655 N HA -0.245 4.497 4.740 0.004 0.000 0.191 655 N C 2.147 177.730 175.510 0.121 0.000 1.031 655 N CA 1.677 54.830 53.050 0.171 0.000 0.852 655 N CB -0.199 38.390 38.487 0.169 0.000 1.018 655 N HN 0.291 nan 8.380 nan 0.000 0.423 656 R N 0.243 120.803 120.500 0.100 0.000 2.081 656 R HA -0.061 4.282 4.340 0.004 0.000 0.235 656 R C 2.118 178.414 176.300 -0.007 0.000 1.131 656 R CA 1.376 57.505 56.100 0.049 0.000 0.960 656 R CB -0.114 30.214 30.300 0.048 0.000 0.856 656 R HN 0.465 nan 8.270 nan 0.000 0.436 657 Q N -0.488 119.312 119.800 -0.001 0.000 2.050 657 Q HA -0.144 4.199 4.340 0.004 0.000 0.202 657 Q C 2.123 178.003 176.000 -0.200 0.000 0.980 657 Q CA 1.687 57.447 55.803 -0.072 0.000 0.840 657 Q CB -0.125 28.612 28.738 -0.002 0.000 0.898 657 Q HN 0.392 nan 8.270 nan 0.000 0.424 658 A N 1.191 123.986 122.820 -0.042 0.000 1.902 658 A HA -0.151 4.171 4.320 0.004 0.000 0.217 658 A C 2.332 179.832 177.584 -0.140 0.000 1.181 658 A CA 1.647 53.668 52.037 -0.026 0.000 0.623 658 A CB -0.853 18.352 19.000 0.341 0.000 0.818 658 A HN 0.412 nan 8.150 nan 0.000 0.443 659 A N -0.407 122.391 122.820 -0.038 0.000 1.908 659 A HA -0.213 4.110 4.320 0.004 0.000 0.218 659 A C 2.162 179.666 177.584 -0.132 0.000 1.181 659 A CA 1.947 53.964 52.037 -0.033 0.000 0.627 659 A CB -0.454 18.546 19.000 0.001 0.000 0.818 659 A HN 0.509 nan 8.150 nan 0.000 0.445 660 K N -1.095 119.191 120.400 -0.190 0.000 2.026 660 K HA -0.136 4.187 4.320 0.004 0.000 0.208 660 K C 2.263 178.665 176.600 -0.330 0.000 1.048 660 K CA 1.389 57.547 56.287 -0.215 0.000 0.929 660 K CB -0.145 32.239 32.500 -0.193 0.000 0.713 660 K HN 0.412 nan 8.250 nan 0.000 0.439 661 Q N 0.445 119.889 119.800 -0.593 0.000 2.172 661 Q HA -0.159 4.184 4.340 0.004 0.000 0.200 661 Q C 1.818 177.395 176.000 -0.704 0.000 0.964 661 Q CA 1.106 56.377 55.803 -0.885 0.000 0.855 661 Q CB -0.036 27.490 28.738 -2.019 0.000 0.918 661 Q HN 0.466 nan 8.270 nan 0.000 0.444 662 E N 1.098 120.995 120.200 -0.505 0.000 2.153 662 E HA -0.223 4.130 4.350 0.004 0.000 0.194 662 E C 0.166 176.659 176.600 -0.179 0.000 0.988 662 E CA 0.834 57.137 56.400 -0.161 0.000 0.811 662 E CB 0.018 29.729 29.700 0.018 0.000 0.746 662 E HN 0.233 nan 8.360 nan 0.000 0.466 663 N N 0.358 118.933 118.700 -0.208 0.000 2.740 663 N HA -0.253 4.489 4.740 0.004 0.000 0.248 663 N C -1.009 174.344 175.510 -0.262 0.000 1.062 663 N CA 1.205 54.137 53.050 -0.196 0.000 0.704 663 N CB -1.372 37.015 38.487 -0.167 0.000 0.968 663 N HN 0.425 nan 8.380 nan 0.000 0.547 664 Q N -2.417 117.149 119.800 -0.389 0.000 2.481 664 Q HA -0.192 4.150 4.340 0.004 0.000 0.258 664 Q C -0.318 175.081 176.000 -1.002 0.000 0.961 664 Q CA 1.396 56.718 55.803 -0.801 0.000 1.121 664 Q CB -2.027 26.512 28.738 -0.332 0.000 1.503 664 Q HN 0.536 nan 8.270 nan 0.000 0.544 665 S N -0.323 114.982 115.700 -0.658 0.000 3.170 665 S HA 0.372 4.845 4.470 0.004 0.000 0.257 665 S C 0.195 174.630 174.600 -0.275 0.000 1.284 665 S CA -0.542 57.433 58.200 -0.374 0.000 0.973 665 S CB 0.015 63.097 63.200 -0.196 0.000 1.330 665 S HN 0.327 nan 8.310 nan 0.000 0.493 666 Y N 1.290 121.599 120.300 0.015 0.000 2.490 666 Y HA 0.274 4.826 4.550 0.004 0.000 0.285 666 Y C 1.455 177.343 175.900 -0.020 0.000 1.117 666 Y CA -0.212 57.908 58.100 0.035 0.000 1.262 666 Y CB -0.139 38.363 38.460 0.069 0.000 1.043 666 Y HN 0.424 nan 8.280 nan 0.000 0.553 667 E N 0.175 120.412 120.200 0.060 0.000 2.422 667 E HA -0.120 4.233 4.350 0.004 0.000 0.260 667 E C -0.717 175.770 176.600 -0.187 0.000 1.108 667 E CA -0.320 56.051 56.400 -0.048 0.000 0.943 667 E CB 0.226 29.903 29.700 -0.039 0.000 0.961 667 E HN 0.230 nan 8.360 nan 0.000 0.443 668 Y N 1.429 121.410 120.300 -0.532 0.000 2.526 668 Y HA 0.109 4.662 4.550 0.004 0.000 0.330 668 Y C -0.028 175.661 175.900 -0.352 0.000 1.156 668 Y CA 0.074 57.761 58.100 -0.689 0.000 1.419 668 Y CB 0.343 37.853 38.460 -1.583 0.000 1.250 668 Y HN 0.369 nan 8.280 nan 0.000 0.540 669 S N 5.078 120.064 115.700 -1.189 0.000 2.547 669 S HA 0.416 4.889 4.470 0.004 0.000 0.270 669 S C -2.680 171.338 174.600 -0.970 0.000 1.150 669 S CA -1.327 56.250 58.200 -1.038 0.000 0.850 669 S CB 2.151 65.094 63.200 -0.428 0.000 1.118 669 S HN 0.350 nan 8.310 nan 0.000 0.461 670 P HA -0.031 nan 4.420 nan 0.000 0.218 670 P C 0.818 177.991 177.300 -0.212 0.000 1.148 670 P CA 1.262 64.178 63.100 -0.306 0.000 0.822 670 P CB 0.079 31.691 31.700 -0.148 0.000 0.784 671 E N -0.079 120.005 120.200 -0.192 0.000 2.028 671 E HA -0.085 4.268 4.350 0.004 0.000 0.190 671 E C 2.199 178.780 176.600 -0.031 0.000 0.984 671 E CA 1.484 57.821 56.400 -0.105 0.000 0.800 671 E CB -1.298 28.372 29.700 -0.049 0.000 0.758 671 E HN 0.109 nan 8.360 nan 0.000 0.448 672 A N 1.022 123.817 122.820 -0.041 0.000 1.972 672 A HA -0.039 4.283 4.320 0.004 0.000 0.219 672 A C 2.333 179.937 177.584 0.034 0.000 1.169 672 A CA 1.687 53.753 52.037 0.049 0.000 0.635 672 A CB -0.771 18.203 19.000 -0.043 0.000 0.810 672 A HN 0.266 nan 8.150 nan 0.000 0.446 673 A N -0.393 122.378 122.820 -0.081 0.000 1.930 673 A HA 0.151 4.473 4.320 0.004 0.000 0.217 673 A C 2.363 179.939 177.584 -0.014 0.000 1.175 673 A CA 1.777 53.797 52.037 -0.028 0.000 0.627 673 A CB -1.270 17.731 19.000 0.002 0.000 0.815 673 A HN 0.679 nan 8.150 nan 0.000 0.443 674 G N -1.268 107.478 108.800 -0.090 0.000 2.421 674 G HA2 -0.258 3.704 3.960 0.004 0.000 0.216 674 G HA3 -0.258 3.704 3.960 0.004 0.000 0.216 674 G C 1.414 176.215 174.900 -0.165 0.000 1.171 674 G CA 0.942 45.933 45.100 -0.182 0.000 0.775 674 G HN 0.687 nan 8.290 nan 0.000 0.543 675 W N 0.577 121.882 121.300 0.009 0.000 2.388 675 W HA 0.089 4.751 4.660 0.004 0.000 0.294 675 W C 3.005 179.554 176.519 0.050 0.000 1.212 675 W CA 0.588 57.952 57.345 0.031 0.000 1.271 675 W CB -0.002 29.474 29.460 0.026 0.000 1.126 675 W HN 0.067 nan 8.180 nan 0.000 0.535 676 R N -0.486 120.156 120.500 0.238 0.000 2.115 676 R HA -0.078 4.264 4.340 0.004 0.000 0.230 676 R C 2.022 178.383 176.300 0.101 0.000 1.111 676 R CA 1.735 57.918 56.100 0.139 0.000 0.976 676 R CB -0.900 29.394 30.300 -0.009 0.000 0.870 676 R HN 0.104 nan 8.270 nan 0.000 0.445 677 T N 1.730 116.328 114.554 0.074 0.000 2.708 677 T HA -0.142 4.211 4.350 0.004 0.000 0.266 677 T C 1.700 176.441 174.700 0.068 0.000 1.037 677 T CA 1.058 63.189 62.100 0.052 0.000 1.146 677 T CB -0.190 68.691 68.868 0.022 0.000 0.865 677 T HN 0.054 nan 8.240 nan 0.000 0.435 678 L N 1.098 122.380 121.223 0.099 0.000 2.056 678 L HA 0.087 4.429 4.340 0.004 0.000 0.207 678 L C 2.503 179.477 176.870 0.172 0.000 1.078 678 L CA 1.637 56.559 54.840 0.138 0.000 0.749 678 L CB -0.539 41.623 42.059 0.172 0.000 0.901 678 L HN 0.040 nan 8.230 nan 0.000 0.433 679 R N -0.371 120.249 120.500 0.199 0.000 2.091 679 R HA -0.156 4.186 4.340 0.004 0.000 0.238 679 R C 1.983 178.357 176.300 0.122 0.000 1.136 679 R CA 1.702 57.917 56.100 0.191 0.000 0.959 679 R CB -0.334 30.110 30.300 0.241 0.000 0.856 679 R HN 0.416 nan 8.270 nan 0.000 0.437 680 N N -0.420 118.331 118.700 0.084 0.000 2.331 680 N HA -0.086 4.657 4.740 0.004 0.000 0.180 680 N C 1.548 177.018 175.510 -0.067 0.000 1.019 680 N CA 1.128 54.187 53.050 0.016 0.000 0.881 680 N CB 0.031 38.530 38.487 0.019 0.000 0.972 680 N HN 0.082 nan 8.380 nan 0.000 0.435 681 V N 0.647 120.529 119.914 -0.052 0.000 2.358 681 V HA -0.226 3.897 4.120 0.004 0.000 0.246 681 V C 2.423 178.397 176.094 -0.199 0.000 1.047 681 V CA 1.163 63.368 62.300 -0.158 0.000 1.035 681 V CB -0.537 31.262 31.823 -0.041 0.000 0.658 681 V HN 0.333 nan 8.190 nan 0.000 0.452 682 C N -0.228 119.078 119.300 0.010 0.000 2.432 682 C HA -0.151 4.312 4.460 0.004 0.000 0.277 682 C C 2.870 177.827 174.990 -0.055 0.000 1.249 682 C CA 0.889 59.959 59.018 0.086 0.000 1.725 682 C CB -1.195 26.696 27.740 0.250 0.000 2.028 682 C HN 0.502 nan 8.230 nan 0.000 0.477 683 R N 1.151 121.624 120.500 -0.045 0.000 2.083 683 R HA -0.154 4.189 4.340 0.004 0.000 0.237 683 R C 2.431 178.639 176.300 -0.153 0.000 1.137 683 R CA 1.782 57.847 56.100 -0.060 0.000 0.951 683 R CB -0.566 29.722 30.300 -0.019 0.000 0.851 683 R HN 0.577 nan 8.270 nan 0.000 0.434 684 A N 0.768 123.427 122.820 -0.269 0.000 1.865 684 A HA -0.186 4.137 4.320 0.004 0.000 0.217 684 A C 1.938 179.254 177.584 -0.446 0.000 1.191 684 A CA 1.421 53.224 52.037 -0.390 0.000 0.623 684 A CB -0.701 17.984 19.000 -0.525 0.000 0.826 684 A HN 0.204 nan 8.150 nan 0.000 0.444 685 F N -0.101 119.562 119.950 -0.478 0.000 2.102 685 F HA -0.155 4.374 4.527 0.003 0.000 0.298 685 F C 2.545 178.121 175.800 -0.375 0.000 1.105 685 F CA 1.257 58.878 58.000 -0.632 0.000 1.239 685 F CB -1.048 37.014 39.000 -1.563 0.000 0.991 685 F HN 0.019 nan 8.300 nan 0.000 0.474 686 V N 0.168 120.001 119.914 -0.135 0.000 2.282 686 V HA -0.312 3.811 4.120 0.004 0.000 0.249 686 V C 2.366 178.437 176.094 -0.039 0.000 1.057 686 V CA 1.929 64.149 62.300 -0.134 0.000 1.032 686 V CB -0.743 30.896 31.823 -0.308 0.000 0.645 686 V HN 0.278 nan 8.190 nan 0.000 0.447 687 L N -1.043 120.162 121.223 -0.029 0.000 2.376 687 L HA -0.044 4.299 4.340 0.004 0.000 0.219 687 L C 2.595 179.464 176.870 -0.003 0.000 1.133 687 L CA 1.146 55.994 54.840 0.014 0.000 0.816 687 L CB -0.454 41.606 42.059 0.001 0.000 0.933 687 L HN 0.202 nan 8.230 nan 0.000 0.449 688 R N -0.379 120.105 120.500 -0.027 0.000 2.066 688 R HA -0.088 4.254 4.340 0.004 0.000 0.232 688 R C 2.400 178.725 176.300 0.042 0.000 1.131 688 R CA 1.384 57.483 56.100 -0.002 0.000 0.955 688 R CB -0.464 29.840 30.300 0.007 0.000 0.851 688 R HN 0.349 nan 8.270 nan 0.000 0.432 689 A N 0.668 123.529 122.820 0.068 0.000 1.897 689 A HA -0.122 4.200 4.320 0.004 0.000 0.215 689 A C 0.726 178.358 177.584 0.079 0.000 1.181 689 A CA 1.244 53.335 52.037 0.090 0.000 0.620 689 A CB 0.057 19.137 19.000 0.134 0.000 0.821 689 A HN 0.211 nan 8.150 nan 0.000 0.443 690 D N -1.939 118.510 120.400 0.082 0.000 2.412 690 D HA 0.378 5.020 4.640 0.004 0.000 0.276 690 D C -2.187 174.181 176.300 0.112 0.000 1.196 690 D CA -2.047 52.013 54.000 0.100 0.000 0.905 690 D CB 1.027 41.903 40.800 0.126 0.000 1.081 690 D HN -0.038 nan 8.370 nan 0.000 0.502 691 P HA -0.135 nan 4.420 nan 0.000 0.216 691 P C 1.219 178.566 177.300 0.079 0.000 1.150 691 P CA 1.180 64.319 63.100 0.065 0.000 0.843 691 P CB 0.235 31.959 31.700 0.041 0.000 0.787 692 A N -0.891 121.980 122.820 0.085 0.000 2.076 692 A HA -0.256 4.067 4.320 0.004 0.000 0.220 692 A C 2.117 179.769 177.584 0.114 0.000 1.160 692 A CA 1.727 53.812 52.037 0.081 0.000 0.653 692 A CB -1.771 17.271 19.000 0.071 0.000 0.801 692 A HN 0.220 nan 8.150 nan 0.000 0.455 693 H N -0.315 118.787 119.070 0.055 0.000 2.489 693 H HA -0.056 4.502 4.556 0.003 0.000 0.295 693 H C 1.553 176.913 175.328 0.054 0.000 1.082 693 H CA 1.293 57.383 56.048 0.070 0.000 1.295 693 H CB -0.322 29.507 29.762 0.112 0.000 1.380 693 H HN 0.498 nan 8.280 nan 0.000 0.548 694 I N 0.347 120.930 120.570 0.022 0.000 2.185 694 I HA -0.319 3.853 4.170 0.004 0.000 0.246 694 I C 1.530 177.606 176.117 -0.067 0.000 1.088 694 I CA 1.821 63.100 61.300 -0.034 0.000 1.347 694 I CB -0.008 37.988 38.000 -0.007 0.000 1.041 694 I HN 0.381 nan 8.210 nan 0.000 0.415 695 E N -0.142 120.028 120.200 -0.050 0.000 2.208 695 E HA -0.146 4.207 4.350 0.004 0.000 0.193 695 E C 2.087 178.646 176.600 -0.069 0.000 0.988 695 E CA 1.479 57.853 56.400 -0.044 0.000 0.828 695 E CB -0.506 29.182 29.700 -0.019 0.000 0.763 695 E HN 0.524 nan 8.360 nan 0.000 0.478 696 T N 1.348 115.821 114.554 -0.133 0.000 2.812 696 T HA -0.061 4.292 4.350 0.004 0.000 0.264 696 T C 2.206 176.800 174.700 -0.177 0.000 1.042 696 T CA 0.942 62.944 62.100 -0.163 0.000 1.140 696 T CB -0.188 68.544 68.868 -0.227 0.000 0.870 696 T HN -0.043 nan 8.240 nan 0.000 0.445 697 V N 1.953 121.706 119.914 -0.269 0.000 2.252 697 V HA -0.239 3.884 4.120 0.004 0.000 0.249 697 V C 2.912 179.030 176.094 0.039 0.000 1.056 697 V CA 1.930 64.164 62.300 -0.110 0.000 1.022 697 V CB -1.262 30.509 31.823 -0.086 0.000 0.641 697 V HN 0.539 nan 8.190 nan 0.000 0.445 698 A N -0.296 122.534 122.820 0.017 0.000 1.917 698 A HA -0.302 4.021 4.320 0.004 0.000 0.219 698 A C 2.349 179.964 177.584 0.052 0.000 1.182 698 A CA 2.105 54.163 52.037 0.034 0.000 0.633 698 A CB -0.587 18.399 19.000 -0.024 0.000 0.819 698 A HN 0.611 nan 8.150 nan 0.000 0.448 699 E N 1.033 121.243 120.200 0.016 0.000 2.077 699 E HA -0.227 4.125 4.350 0.004 0.000 0.193 699 E C 1.473 178.095 176.600 0.037 0.000 0.989 699 E CA 1.764 58.175 56.400 0.017 0.000 0.800 699 E CB -0.219 29.479 29.700 -0.003 0.000 0.746 699 E HN 0.794 nan 8.360 nan 0.000 0.452 700 K N -0.764 119.657 120.400 0.035 0.000 2.493 700 K HA 0.029 4.351 4.320 0.004 0.000 0.207 700 K C 1.506 178.132 176.600 0.044 0.000 1.033 700 K CA -0.334 55.969 56.287 0.027 0.000 1.161 700 K CB -0.233 32.267 32.500 -0.001 0.000 0.873 700 K HN 0.017 nan 8.250 nan 0.000 0.491 701 Y N 2.046 122.333 120.300 -0.021 0.000 2.089 701 Y HA -0.134 4.418 4.550 0.004 0.000 0.282 701 Y C 2.465 178.365 175.900 0.000 0.000 1.139 701 Y CA 2.367 60.463 58.100 -0.007 0.000 1.123 701 Y CB -0.641 37.822 38.460 0.005 0.000 0.980 701 Y HN 0.231 nan 8.280 nan 0.000 0.493 702 G N 0.231 109.136 108.800 0.174 0.000 2.574 702 G HA2 -0.361 3.601 3.960 0.004 0.000 0.220 702 G HA3 -0.361 3.601 3.960 0.004 0.000 0.220 702 G C 0.949 175.818 174.900 -0.051 0.000 1.173 702 G CA 0.966 46.106 45.100 0.067 0.000 0.772 702 G HN 0.519 nan 8.290 nan 0.000 0.585 706 Q N 0.495 120.137 119.800 -0.263 0.000 2.424 706 Q HA 0.070 4.413 4.340 0.004 0.000 0.204 706 Q C 0.408 176.251 176.000 -0.261 0.000 0.933 706 Q CA 1.401 56.907 55.803 -0.495 0.000 0.929 706 Q CB 0.193 28.125 28.738 -1.343 0.000 1.037 706 Q HN 0.987 nan 8.270 nan 0.000 0.511 710 H N 2.033 121.161 119.070 0.098 0.000 2.299 710 H HA 0.122 4.680 4.556 0.004 0.000 0.302 710 H C 2.130 177.466 175.328 0.013 0.000 1.078 710 H CA 1.647 57.716 56.048 0.035 0.000 1.323 710 H CB -0.046 29.700 29.762 -0.026 0.000 1.381 710 H HN 0.500 nan 8.280 nan 0.000 0.498 711 E N 0.179 120.480 120.200 0.169 0.000 2.058 711 E HA -0.216 4.137 4.350 0.004 0.000 0.194 711 E C 2.217 178.889 176.600 0.120 0.000 0.997 711 E CA 0.699 57.202 56.400 0.172 0.000 0.801 711 E CB -0.327 29.607 29.700 0.390 0.000 0.746 711 E HN 0.535 nan 8.360 nan 0.000 0.450 712 W N 1.568 122.856 121.300 -0.019 0.000 2.338 712 W HA -0.156 4.508 4.660 0.006 0.000 0.304 712 W C 2.078 178.553 176.519 -0.075 0.000 1.212 712 W CA 1.822 59.115 57.345 -0.087 0.000 1.264 712 W CB -0.397 29.032 29.460 -0.051 0.000 1.142 712 W HN 0.073 nan 8.180 nan 0.000 0.512 713 G N 0.880 109.658 108.800 -0.036 0.000 2.408 713 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 713 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 713 G C 1.559 176.364 174.900 -0.159 0.000 1.150 713 G CA 1.184 46.209 45.100 -0.124 0.000 0.776 713 G HN 0.308 nan 8.290 nan 0.000 0.542 714 I N 0.239 120.761 120.570 -0.081 0.000 2.163 714 I HA -0.091 4.081 4.170 0.004 0.000 0.240 714 I C 2.663 178.703 176.117 -0.127 0.000 1.081 714 I CA 0.717 61.987 61.300 -0.050 0.000 1.353 714 I CB -0.186 37.835 38.000 0.036 0.000 1.054 714 I HN 0.097 nan 8.210 nan 0.000 0.407 715 L N -0.234 120.862 121.223 -0.211 0.000 2.141 715 L HA -0.165 4.178 4.340 0.004 0.000 0.209 715 L C 2.639 179.237 176.870 -0.453 0.000 1.094 715 L CA 1.001 55.647 54.840 -0.323 0.000 0.763 715 L CB -0.496 41.283 42.059 -0.467 0.000 0.908 715 L HN 0.196 nan 8.230 nan 0.000 0.437 716 S N 0.061 115.374 115.700 -0.645 0.000 2.368 716 S HA -0.140 4.332 4.470 0.004 0.000 0.224 716 S C 2.227 176.604 174.600 -0.371 0.000 1.029 716 S CA 1.169 58.982 58.200 -0.645 0.000 0.988 716 S CB -0.252 62.481 63.200 -0.779 0.000 0.838 716 S HN 0.494 nan 8.310 nan 0.000 0.462 717 A N 1.272 123.915 122.820 -0.295 0.000 1.933 717 A HA -0.070 4.253 4.320 0.004 0.000 0.218 717 A C 2.282 179.773 177.584 -0.155 0.000 1.175 717 A CA 1.804 53.717 52.037 -0.207 0.000 0.628 717 A CB -0.771 18.139 19.000 -0.151 0.000 0.814 717 A HN 0.598 nan 8.150 nan 0.000 0.444 718 V N -2.549 117.278 119.914 -0.143 0.000 3.608 718 V HA 0.059 4.181 4.120 0.004 0.000 0.269 718 V C 1.632 177.656 176.094 -0.116 0.000 1.245 718 V CA 1.499 63.739 62.300 -0.100 0.000 1.138 718 V CB -1.005 30.774 31.823 -0.073 0.000 0.841 718 V HN 0.420 nan 8.190 nan 0.000 0.451 719 N N 2.728 121.329 118.700 -0.166 0.000 2.205 719 N HA -0.068 4.675 4.740 0.004 0.000 0.186 719 N C 1.707 177.157 175.510 -0.100 0.000 1.015 719 N CA 1.952 54.906 53.050 -0.161 0.000 0.862 719 N CB -0.555 37.800 38.487 -0.220 0.000 0.986 719 N HN 0.598 nan 8.380 nan 0.000 0.429 720 G N -0.893 107.860 108.800 -0.077 0.000 2.985 720 G HA2 -0.074 3.888 3.960 0.004 0.000 0.209 720 G HA3 -0.074 3.888 3.960 0.004 0.000 0.209 720 G C 0.415 175.305 174.900 -0.018 0.000 1.165 720 G CA -0.387 44.695 45.100 -0.031 0.000 0.776 720 G HN 0.235 nan 8.290 nan 0.000 0.541 721 N N 1.244 119.925 118.700 -0.032 0.000 2.483 721 N HA 0.011 4.754 4.740 0.004 0.000 0.264 721 N C 0.703 176.207 175.510 -0.011 0.000 1.197 721 N CA -0.061 52.978 53.050 -0.018 0.000 0.927 721 N CB 0.790 39.263 38.487 -0.023 0.000 1.065 721 N HN 0.075 nan 8.380 nan 0.000 0.461 722 E N 0.833 121.033 120.200 0.001 0.000 2.511 722 E HA -0.061 4.292 4.350 0.004 0.000 0.196 722 E C 0.250 176.850 176.600 0.001 0.000 1.066 722 E CA 0.092 56.495 56.400 0.005 0.000 0.871 722 E CB -0.013 29.695 29.700 0.013 0.000 0.863 722 E HN 0.444 nan 8.360 nan 0.000 0.520 723 S N 1.472 117.171 115.700 -0.002 0.000 2.558 723 S HA -0.053 4.419 4.470 0.004 0.000 0.288 723 S C 0.902 175.497 174.600 -0.009 0.000 1.318 723 S CA -0.463 57.735 58.200 -0.004 0.000 1.056 723 S CB 0.650 63.847 63.200 -0.005 0.000 0.853 723 S HN 0.022 nan 8.310 nan 0.000 0.505 724 D N 3.289 123.684 120.400 -0.008 0.000 2.218 724 D HA -0.082 4.560 4.640 0.004 0.000 0.204 724 D C 1.740 178.030 176.300 -0.016 0.000 0.976 724 D CA 1.347 55.341 54.000 -0.010 0.000 0.853 724 D CB -0.556 40.240 40.800 -0.007 0.000 0.939 724 D HN 0.638 nan 8.370 nan 0.000 0.481 725 T N 1.007 115.550 114.554 -0.020 0.000 2.849 725 T HA -0.175 4.178 4.350 0.004 0.000 0.270 725 T C 1.879 176.554 174.700 -0.041 0.000 1.066 725 T CA 0.678 62.760 62.100 -0.031 0.000 1.130 725 T CB 0.083 68.933 68.868 -0.030 0.000 0.864 725 T HN 0.102 nan 8.240 nan 0.000 0.481 726 R N 1.808 122.286 120.500 -0.037 0.000 2.073 726 R HA -0.077 4.265 4.340 0.004 0.000 0.234 726 R C 1.824 178.099 176.300 -0.041 0.000 1.134 726 R CA 1.473 57.544 56.100 -0.049 0.000 0.952 726 R CB -0.705 29.567 30.300 -0.048 0.000 0.850 726 R HN 0.354 nan 8.270 nan 0.000 0.433 727 N N 1.087 119.773 118.700 -0.024 0.000 2.166 727 N HA -0.191 4.551 4.740 0.004 0.000 0.186 727 N C 1.914 177.429 175.510 0.008 0.000 1.019 727 N CA 1.119 54.168 53.050 -0.002 0.000 0.856 727 N CB -0.468 38.021 38.487 0.003 0.000 0.993 727 N HN 0.319 nan 8.380 nan 0.000 0.426 728 R N 0.984 121.476 120.500 -0.013 0.000 2.073 728 R HA -0.006 4.336 4.340 0.004 0.000 0.234 728 R C 2.213 178.487 176.300 -0.044 0.000 1.134 728 R CA 0.898 56.984 56.100 -0.023 0.000 0.952 728 R CB -0.246 30.033 30.300 -0.035 0.000 0.850 728 R HN 0.155 nan 8.270 nan 0.000 0.433 729 L N 0.513 121.688 121.223 -0.079 0.000 2.046 729 L HA -0.211 4.132 4.340 0.004 0.000 0.208 729 L C 2.402 179.246 176.870 -0.044 0.000 1.077 729 L CA 0.829 55.581 54.840 -0.147 0.000 0.747 729 L CB -0.387 41.553 42.059 -0.198 0.000 0.896 729 L HN 0.215 nan 8.230 nan 0.000 0.432 730 L N -0.152 121.085 121.223 0.023 0.000 2.017 730 L HA -0.203 4.139 4.340 0.004 0.000 0.208 730 L C 2.772 179.818 176.870 0.292 0.000 1.073 730 L CA 1.980 56.930 54.840 0.183 0.000 0.745 730 L CB -0.830 41.317 42.059 0.147 0.000 0.894 730 L HN 0.194 nan 8.230 nan 0.000 0.432 731 A N -1.378 121.544 122.820 0.170 0.000 1.940 731 A HA -0.289 4.034 4.320 0.004 0.000 0.219 731 A C 2.226 179.832 177.584 0.036 0.000 1.176 731 A CA 1.883 53.977 52.037 0.095 0.000 0.631 731 A CB -0.532 18.504 19.000 0.059 0.000 0.814 731 A HN 0.568 nan 8.150 nan 0.000 0.446 732 Q N -2.185 117.634 119.800 0.032 0.000 2.167 732 Q HA -0.101 4.241 4.340 0.004 0.000 0.202 732 Q C 1.870 177.909 176.000 0.066 0.000 0.970 732 Q CA 1.357 57.159 55.803 -0.001 0.000 0.855 732 Q CB -0.232 28.466 28.738 -0.066 0.000 0.911 732 Q HN 0.748 nan 8.270 nan 0.000 0.438 733 F N 1.138 121.083 119.950 -0.008 0.000 2.084 733 F HA -0.167 4.363 4.527 0.005 0.000 0.296 733 F C 2.165 178.022 175.800 0.095 0.000 1.111 733 F CA 1.344 59.428 58.000 0.140 0.000 1.224 733 F CB -0.485 38.635 39.000 0.198 0.000 0.991 733 F HN 0.005 nan 8.300 nan 0.000 0.471 734 A N -0.180 122.606 122.820 -0.058 0.000 1.917 734 A HA -0.312 4.011 4.320 0.004 0.000 0.219 734 A C 1.903 179.346 177.584 -0.235 0.000 1.182 734 A CA 2.322 54.102 52.037 -0.428 0.000 0.633 734 A CB -1.385 17.087 19.000 -0.881 0.000 0.819 734 A HN 0.568 nan 8.150 nan 0.000 0.448 735 D N -0.936 119.375 120.400 -0.148 0.000 2.097 735 D HA -0.178 4.464 4.640 0.004 0.000 0.197 735 D C 1.979 178.174 176.300 -0.176 0.000 0.984 735 D CA 1.685 55.610 54.000 -0.124 0.000 0.826 735 D CB -0.156 40.590 40.800 -0.090 0.000 0.973 735 D HN 0.464 nan 8.370 nan 0.000 0.460 736 K N -1.248 119.007 120.400 -0.241 0.000 2.103 736 K HA -0.123 4.200 4.320 0.004 0.000 0.207 736 K C 0.512 176.716 176.600 -0.659 0.000 1.048 736 K CA 1.074 57.073 56.287 -0.480 0.000 0.930 736 K CB -0.125 31.988 32.500 -0.645 0.000 0.716 736 K HN 0.211 nan 8.250 nan 0.000 0.444 737 F N 0.263 120.051 119.950 -0.270 0.000 2.791 737 F HA 0.157 4.687 4.527 0.004 0.000 0.308 737 F C 1.531 177.200 175.800 -0.219 0.000 1.138 737 F CA -0.288 57.546 58.000 -0.276 0.000 1.294 737 F CB 0.592 39.320 39.000 -0.454 0.000 0.975 737 F HN 0.007 nan 8.300 nan 0.000 0.512 738 S N -0.376 115.283 115.700 -0.067 0.000 2.420 738 S HA -0.249 4.224 4.470 0.004 0.000 0.237 738 S C 1.620 176.221 174.600 0.001 0.000 1.023 738 S CA 1.780 59.956 58.200 -0.040 0.000 0.991 738 S CB -0.424 62.753 63.200 -0.038 0.000 0.792 738 S HN 0.554 nan 8.310 nan 0.000 0.488 739 D N 0.498 120.899 120.400 0.000 0.000 2.349 739 D HA 0.041 4.684 4.640 0.004 0.000 0.215 739 D C -0.080 176.234 176.300 0.023 0.000 1.016 739 D CA 0.104 54.110 54.000 0.011 0.000 0.870 739 D CB -0.370 40.429 40.800 -0.001 0.000 0.917 739 D HN 0.353 nan 8.370 nan 0.000 0.524 740 D N 0.433 120.854 120.400 0.034 0.000 2.460 740 D HA 0.383 5.025 4.640 0.004 0.000 0.232 740 D C 0.941 177.241 176.300 -0.001 0.000 1.079 740 D CA -0.507 53.504 54.000 0.019 0.000 0.864 740 D CB 1.579 42.399 40.800 0.034 0.000 1.048 740 D HN -0.013 nan 8.370 nan 0.000 0.523 741 A N 4.263 127.086 122.820 0.004 0.000 1.978 741 A HA -0.135 4.188 4.320 0.004 0.000 0.220 741 A C 2.139 179.725 177.584 0.005 0.000 1.170 741 A CA 0.964 53.013 52.037 0.020 0.000 0.636 741 A CB -0.262 18.745 19.000 0.012 0.000 0.810 741 A HN 0.699 nan 8.150 nan 0.000 0.448 742 L N -0.612 120.584 121.223 -0.046 0.000 2.240 742 L HA -0.022 4.320 4.340 0.004 0.000 0.211 742 L C 0.947 177.757 176.870 -0.100 0.000 1.106 742 L CA 0.031 54.818 54.840 -0.089 0.000 0.793 742 L CB -0.339 41.637 42.059 -0.139 0.000 0.927 742 L HN 0.175 nan 8.230 nan 0.000 0.446 746 K N 0.526 121.017 120.400 0.151 0.000 2.057 746 K HA -0.136 4.186 4.320 0.004 0.000 0.207 746 K C 2.083 178.944 176.600 0.436 0.000 1.049 746 K CA 1.248 57.679 56.287 0.239 0.000 0.931 746 K CB -0.131 32.529 32.500 0.266 0.000 0.714 746 K HN 0.189 nan 8.250 nan 0.000 0.440 747 Y N 1.053 121.512 120.300 0.266 0.000 2.128 747 Y HA -0.260 4.293 4.550 0.005 0.000 0.284 747 Y C 1.856 177.719 175.900 -0.060 0.000 1.154 747 Y CA 1.550 59.709 58.100 0.098 0.000 1.149 747 Y CB -0.418 37.945 38.460 -0.160 0.000 0.976 747 Y HN -0.100 nan 8.280 nan 0.000 0.505 748 F N 0.149 120.137 119.950 0.064 0.000 2.234 748 F HA -0.061 4.468 4.527 0.004 0.000 0.299 748 F C 2.605 178.388 175.800 -0.027 0.000 1.087 748 F CA 1.048 59.012 58.000 -0.061 0.000 1.340 748 F CB -1.254 37.830 39.000 0.139 0.000 1.031 748 F HN 0.183 nan 8.300 nan 0.000 0.500 749 A N 0.252 123.209 122.820 0.227 0.000 1.902 749 A HA -0.122 4.201 4.320 0.004 0.000 0.217 749 A C 2.242 179.909 177.584 0.139 0.000 1.181 749 A CA 1.391 53.550 52.037 0.202 0.000 0.623 749 A CB -1.080 18.069 19.000 0.248 0.000 0.818 749 A HN 0.378 nan 8.150 nan 0.000 0.443 750 L N -0.575 120.701 121.223 0.087 0.000 2.046 750 L HA -0.160 4.182 4.340 0.004 0.000 0.208 750 L C 2.527 179.311 176.870 -0.143 0.000 1.077 750 L CA 1.005 55.797 54.840 -0.080 0.000 0.747 750 L CB -0.570 41.383 42.059 -0.177 0.000 0.896 750 L HN 0.241 nan 8.230 nan 0.000 0.432 751 V N 0.201 119.978 119.914 -0.228 0.000 2.287 751 V HA -0.255 3.868 4.120 0.004 0.000 0.248 751 V C 2.562 178.608 176.094 -0.081 0.000 1.053 751 V CA 2.182 64.352 62.300 -0.215 0.000 1.027 751 V CB -1.314 30.335 31.823 -0.290 0.000 0.646 751 V HN 0.584 nan 8.190 nan 0.000 0.447 752 G N -0.417 108.385 108.800 0.004 0.000 2.421 752 G HA2 -0.190 3.773 3.960 0.004 0.000 0.217 752 G HA3 -0.190 3.773 3.960 0.004 0.000 0.217 752 G C 1.679 176.639 174.900 0.099 0.000 1.143 752 G CA 1.128 46.290 45.100 0.104 0.000 0.784 752 G HN 0.661 nan 8.290 nan 0.000 0.541 753 S N -0.626 115.099 115.700 0.041 0.000 2.575 753 S HA 0.271 4.743 4.470 0.004 0.000 0.215 753 S C 1.091 175.692 174.600 0.002 0.000 0.966 753 S CA 0.412 58.627 58.200 0.025 0.000 0.911 753 S CB 0.056 63.278 63.200 0.038 0.000 0.780 753 S HN 0.165 nan 8.310 nan 0.000 0.514 754 S N 1.413 117.098 115.700 -0.024 0.000 2.533 754 S HA 0.247 4.720 4.470 0.004 0.000 0.282 754 S C 1.040 175.676 174.600 0.060 0.000 1.304 754 S CA -0.588 57.597 58.200 -0.026 0.000 1.063 754 S CB 0.360 63.522 63.200 -0.064 0.000 0.881 754 S HN 0.536 nan 8.310 nan 0.000 0.493 755 R N 2.720 123.272 120.500 0.087 0.000 2.323 755 R HA 0.089 4.432 4.340 0.004 0.000 0.198 755 R C 0.732 177.152 176.300 0.201 0.000 0.988 755 R CA 0.212 56.412 56.100 0.166 0.000 1.041 755 R CB 0.012 30.389 30.300 0.129 0.000 0.926 755 R HN 0.565 nan 8.270 nan 0.000 0.476 756 R N 0.459 121.041 120.500 0.136 0.000 2.811 756 R HA -0.051 4.292 4.340 0.004 0.000 0.265 756 R C 1.575 178.003 176.300 0.214 0.000 1.026 756 R CA 0.489 56.654 56.100 0.109 0.000 1.142 756 R CB 0.402 30.720 30.300 0.030 0.000 1.027 756 R HN 0.126 nan 8.270 nan 0.000 0.465 757 S N 0.059 115.848 115.700 0.148 0.000 2.453 757 S HA -0.114 4.359 4.470 0.004 0.000 0.231 757 S C 0.939 175.651 174.600 0.186 0.000 1.005 757 S CA 1.089 59.403 58.200 0.190 0.000 0.949 757 S CB -0.024 63.231 63.200 0.093 0.000 0.774 757 S HN 0.775 nan 8.310 nan 0.000 0.510 758 D N 0.560 120.997 120.400 0.062 0.000 2.358 758 D HA 0.125 4.767 4.640 0.004 0.000 0.224 758 D C 1.004 177.241 176.300 -0.104 0.000 1.123 758 D CA 0.069 54.064 54.000 -0.008 0.000 0.833 758 D CB -0.690 40.101 40.800 -0.016 0.000 0.946 758 D HN 0.239 nan 8.370 nan 0.000 0.505 759 T N 0.735 115.145 114.554 -0.239 0.000 2.788 759 T HA -0.134 4.219 4.350 0.004 0.000 0.268 759 T C 1.656 176.179 174.700 -0.295 0.000 1.044 759 T CA 0.822 62.709 62.100 -0.355 0.000 1.139 759 T CB -0.171 68.278 68.868 -0.699 0.000 0.867 759 T HN 0.152 nan 8.240 nan 0.000 0.454 760 L N 1.369 122.442 121.223 -0.249 0.000 2.012 760 L HA -0.107 4.235 4.340 0.004 0.000 0.210 760 L C 2.316 178.930 176.870 -0.426 0.000 1.073 760 L CA 1.818 56.419 54.840 -0.398 0.000 0.748 760 L CB -0.767 41.158 42.059 -0.222 0.000 0.891 760 L HN 0.082 nan 8.230 nan 0.000 0.431 761 Q N -0.490 119.166 119.800 -0.240 0.000 2.167 761 Q HA -0.162 4.180 4.340 0.004 0.000 0.202 761 Q C 2.212 178.110 176.000 -0.169 0.000 0.970 761 Q CA 1.445 57.138 55.803 -0.184 0.000 0.855 761 Q CB -0.382 28.295 28.738 -0.102 0.000 0.911 761 Q HN 0.688 nan 8.270 nan 0.000 0.438 762 Q N -0.135 119.569 119.800 -0.161 0.000 2.119 762 Q HA -0.074 4.269 4.340 0.004 0.000 0.201 762 Q C 2.227 178.136 176.000 -0.152 0.000 0.972 762 Q CA 1.184 56.914 55.803 -0.120 0.000 0.847 762 Q CB -0.019 28.654 28.738 -0.107 0.000 0.903 762 Q HN 0.194 nan 8.270 nan 0.000 0.433 763 V N 1.255 121.013 119.914 -0.261 0.000 2.332 763 V HA -0.283 3.839 4.120 0.004 0.000 0.248 763 V C 2.259 178.169 176.094 -0.306 0.000 1.055 763 V CA 1.853 63.957 62.300 -0.327 0.000 1.038 763 V CB -0.490 30.980 31.823 -0.588 0.000 0.651 763 V HN 0.317 nan 8.190 nan 0.000 0.450 764 R N -0.567 119.734 120.500 -0.331 0.000 2.075 764 R HA -0.126 4.217 4.340 0.004 0.000 0.232 764 R C 2.421 178.667 176.300 -0.091 0.000 1.126 764 R CA 1.822 57.812 56.100 -0.184 0.000 0.963 764 R CB -0.774 29.421 30.300 -0.174 0.000 0.858 764 R HN 0.457 nan 8.270 nan 0.000 0.435 765 T N 1.086 115.596 114.554 -0.073 0.000 2.684 765 T HA -0.180 4.173 4.350 0.004 0.000 0.267 765 T C 1.952 176.680 174.700 0.047 0.000 1.036 765 T CA 1.588 63.687 62.100 -0.002 0.000 1.148 765 T CB -0.275 68.602 68.868 0.016 0.000 0.863 765 T HN 0.408 nan 8.240 nan 0.000 0.436 766 A N 1.180 124.017 122.820 0.029 0.000 1.978 766 A HA -0.021 4.302 4.320 0.004 0.000 0.220 766 A C 2.249 179.742 177.584 -0.152 0.000 1.170 766 A CA 1.171 53.280 52.037 0.120 0.000 0.636 766 A CB -0.906 18.158 19.000 0.107 0.000 0.810 766 A HN 0.523 nan 8.150 nan 0.000 0.448 767 L N -0.979 120.038 121.223 -0.344 0.000 2.189 767 L HA -0.229 4.114 4.340 0.004 0.000 0.214 767 L C 2.077 178.933 176.870 -0.023 0.000 1.097 767 L CA 1.142 55.715 54.840 -0.445 0.000 0.764 767 L CB -0.326 41.632 42.059 -0.168 0.000 0.900 767 L HN 0.404 nan 8.230 nan 0.000 0.436 768 Q N -1.839 118.000 119.800 0.065 0.000 2.247 768 Q HA 0.095 4.438 4.340 0.004 0.000 0.204 768 Q C 0.305 176.426 176.000 0.202 0.000 0.872 768 Q CA 0.041 55.925 55.803 0.134 0.000 0.951 768 Q CB 0.018 28.803 28.738 0.079 0.000 1.099 768 Q HN 0.406 nan 8.270 nan 0.000 0.501 769 H N 3.123 122.319 119.070 0.209 0.000 2.928 769 H HA 0.006 4.564 4.556 0.004 0.000 0.338 769 H C -1.410 174.081 175.328 0.272 0.000 1.047 769 H CA -1.042 55.182 56.048 0.293 0.000 1.435 769 H CB 1.325 31.422 29.762 0.559 0.000 1.428 769 H HN -0.080 nan 8.280 nan 0.000 0.590 770 P HA -0.160 nan 4.420 nan 0.000 0.218 770 P C 0.819 178.302 177.300 0.306 0.000 1.146 770 P CA 1.222 64.407 63.100 0.142 0.000 0.813 770 P CB 0.426 32.126 31.700 -0.001 0.000 0.778 771 K N -1.399 119.382 120.400 0.636 0.000 2.444 771 K HA 0.102 4.424 4.320 0.004 0.000 0.193 771 K C 0.609 177.463 176.600 0.422 0.000 1.024 771 K CA -0.435 56.148 56.287 0.494 0.000 1.077 771 K CB -0.679 32.113 32.500 0.486 0.000 0.833 771 K HN 0.230 nan 8.250 nan 0.000 0.517 772 F N 0.993 121.078 119.950 0.225 0.000 2.384 772 F HA 0.249 4.780 4.527 0.006 0.000 0.338 772 F C 0.029 175.768 175.800 -0.101 0.000 1.103 772 F CA -0.493 57.381 58.000 -0.210 0.000 1.157 772 F CB 1.164 39.907 39.000 -0.429 0.000 1.167 772 F HN -0.261 nan 8.300 nan 0.000 0.529 773 S N 6.478 121.477 115.700 -1.168 0.000 2.736 773 S HA 0.285 4.757 4.470 0.004 0.000 0.285 773 S C 0.313 174.298 174.600 -1.025 0.000 1.163 773 S CA -0.752 56.978 58.200 -0.782 0.000 1.025 773 S CB 0.971 63.934 63.200 -0.395 0.000 1.030 773 S HN 0.839 nan 8.310 nan 0.000 0.486 774 L N 5.101 125.956 121.223 -0.613 0.000 2.127 774 L HA 0.101 4.444 4.340 0.004 0.000 0.211 774 L C 1.876 178.691 176.870 -0.091 0.000 1.089 774 L CA 2.041 56.760 54.840 -0.203 0.000 0.757 774 L CB -0.300 41.841 42.059 0.137 0.000 0.899 774 L HN 0.817 nan 8.230 nan 0.000 0.434 775 E N -0.941 119.074 120.200 -0.308 0.000 2.502 775 E HA -0.056 4.297 4.350 0.004 0.000 0.194 775 E C 0.354 176.842 176.600 -0.187 0.000 1.062 775 E CA -0.168 55.999 56.400 -0.388 0.000 0.867 775 E CB -0.153 29.167 29.700 -0.634 0.000 0.888 775 E HN 0.444 nan 8.360 nan 0.000 0.510 776 N N 1.272 119.838 118.700 -0.223 0.000 2.414 776 N HA 0.049 4.792 4.740 0.004 0.000 0.256 776 N C -2.125 173.308 175.510 -0.128 0.000 1.029 776 N CA -1.850 51.097 53.050 -0.173 0.000 0.948 776 N CB 1.341 39.702 38.487 -0.210 0.000 1.102 776 N HN -0.213 nan 8.380 nan 0.000 0.496 777 P HA -0.096 nan 4.420 nan 0.000 0.216 777 P C 0.734 178.000 177.300 -0.057 0.000 1.153 777 P CA 1.161 64.224 63.100 -0.062 0.000 0.858 777 P CB 0.374 32.030 31.700 -0.073 0.000 0.789 778 N N -0.622 118.043 118.700 -0.059 0.000 2.084 778 N HA -0.132 4.610 4.740 0.004 0.000 0.190 778 N C 1.547 177.045 175.510 -0.020 0.000 1.030 778 N CA 1.169 54.191 53.050 -0.045 0.000 0.849 778 N CB -0.566 37.890 38.487 -0.052 0.000 1.012 778 N HN 0.127 nan 8.380 nan 0.000 0.423 779 K N 1.226 121.581 120.400 -0.076 0.000 2.002 779 K HA 0.033 4.355 4.320 0.004 0.000 0.209 779 K C 2.050 178.679 176.600 0.048 0.000 1.048 779 K CA 1.077 57.303 56.287 -0.101 0.000 0.930 779 K CB -0.780 31.413 32.500 -0.512 0.000 0.714 779 K HN 0.153 nan 8.250 nan 0.000 0.438 780 A N 1.912 124.715 122.820 -0.029 0.000 1.892 780 A HA -0.227 4.096 4.320 0.004 0.000 0.218 780 A C 2.303 179.954 177.584 0.111 0.000 1.188 780 A CA 1.883 53.990 52.037 0.118 0.000 0.631 780 A CB -0.501 18.532 19.000 0.055 0.000 0.822 780 A HN 0.311 nan 8.150 nan 0.000 0.447 781 R N -0.433 120.095 120.500 0.046 0.000 2.075 781 R HA -0.058 4.285 4.340 0.004 0.000 0.232 781 R C 2.598 178.939 176.300 0.068 0.000 1.126 781 R CA 1.483 57.601 56.100 0.030 0.000 0.963 781 R CB -0.447 29.845 30.300 -0.014 0.000 0.858 781 R HN 0.503 nan 8.270 nan 0.000 0.435 782 S N 1.138 116.897 115.700 0.099 0.000 2.353 782 S HA -0.154 4.319 4.470 0.004 0.000 0.222 782 S C 1.779 176.492 174.600 0.189 0.000 1.035 782 S CA 1.301 59.590 58.200 0.148 0.000 1.025 782 S CB -0.268 63.063 63.200 0.219 0.000 0.902 782 S HN 0.154 nan 8.310 nan 0.000 0.440 783 L N 1.159 122.516 121.223 0.223 0.000 2.022 783 L HA 0.200 4.543 4.340 0.004 0.000 0.204 783 L C 1.953 178.920 176.870 0.162 0.000 1.076 783 L CA 1.607 56.548 54.840 0.170 0.000 0.749 783 L CB -0.546 41.525 42.059 0.021 0.000 0.903 783 L HN 0.270 nan 8.230 nan 0.000 0.439 784 I N -0.731 119.940 120.570 0.168 0.000 2.400 784 I HA -0.049 4.124 4.170 0.004 0.000 0.248 784 I C 2.438 178.654 176.117 0.165 0.000 1.109 784 I CA 0.962 62.383 61.300 0.202 0.000 1.425 784 I CB -0.996 37.081 38.000 0.128 0.000 1.094 784 I HN 0.373 nan 8.210 nan 0.000 0.425 785 G N 0.431 109.281 108.800 0.084 0.000 2.446 785 G HA2 -0.248 3.715 3.960 0.004 0.000 0.217 785 G HA3 -0.248 3.715 3.960 0.004 0.000 0.217 785 G C 1.759 176.667 174.900 0.014 0.000 1.168 785 G CA 1.159 46.266 45.100 0.011 0.000 0.771 785 G HN 0.363 nan 8.290 nan 0.000 0.551 786 S N 0.335 116.076 115.700 0.069 0.000 2.356 786 S HA -0.091 4.381 4.470 0.004 0.000 0.223 786 S C 1.909 176.554 174.600 0.074 0.000 1.032 786 S CA 1.093 59.334 58.200 0.067 0.000 1.005 786 S CB -0.420 62.841 63.200 0.102 0.000 0.867 786 S HN 0.380 nan 8.310 nan 0.000 0.449 787 F N 3.147 123.103 119.950 0.011 0.000 2.091 787 F HA -0.223 4.305 4.527 0.002 0.000 0.299 787 F C 2.620 178.420 175.800 0.000 0.000 1.103 787 F CA 1.673 59.688 58.000 0.025 0.000 1.228 787 F CB -0.630 38.416 39.000 0.075 0.000 0.984 787 F HN 0.292 nan 8.300 nan 0.000 0.477 788 S N -0.125 115.547 115.700 -0.046 0.000 2.442 788 S HA -0.154 4.318 4.470 0.004 0.000 0.236 788 S C 1.869 176.071 174.600 -0.664 0.000 1.007 788 S CA 0.912 58.816 58.200 -0.493 0.000 0.965 788 S CB -0.607 62.299 63.200 -0.490 0.000 0.773 788 S HN 0.540 nan 8.310 nan 0.000 0.504 789 R N 1.041 121.356 120.500 -0.308 0.000 2.334 789 R HA 0.263 4.605 4.340 0.004 0.000 0.216 789 R C 0.022 176.267 176.300 -0.091 0.000 0.905 789 R CA -0.087 55.908 56.100 -0.174 0.000 1.064 789 R CB -0.106 30.150 30.300 -0.073 0.000 1.046 789 R HN 0.300 nan 8.270 nan 0.000 0.508 790 N N 1.480 120.083 118.700 -0.161 0.000 2.482 790 N HA 0.006 4.749 4.740 0.004 0.000 0.242 790 N C 1.067 176.518 175.510 -0.099 0.000 1.100 790 N CA 0.088 53.064 53.050 -0.124 0.000 0.946 790 N CB 1.017 39.384 38.487 -0.200 0.000 1.227 790 N HN -0.185 nan 8.380 nan 0.000 0.508 791 V N 5.767 125.670 119.914 -0.019 0.000 2.231 791 V HA -0.159 3.964 4.120 0.004 0.000 0.248 791 V C -0.567 175.494 176.094 -0.054 0.000 1.054 791 V CA 1.856 64.220 62.300 0.107 0.000 1.015 791 V CB -1.211 30.719 31.823 0.178 0.000 0.638 791 V HN 0.618 nan 8.190 nan 0.000 0.444 792 P HA -0.156 nan 4.420 nan 0.000 0.220 792 P C 1.200 178.229 177.300 -0.452 0.000 1.148 792 P CA 1.672 64.492 63.100 -0.466 0.000 0.803 792 P CB -0.132 31.156 31.700 -0.687 0.000 0.782 793 H N -1.895 117.033 119.070 -0.236 0.000 2.388 793 H HA 0.056 4.614 4.556 0.003 0.000 0.304 793 H C 1.939 177.023 175.328 -0.406 0.000 1.049 793 H CA 0.581 56.455 56.048 -0.289 0.000 1.371 793 H CB -0.963 28.588 29.762 -0.351 0.000 1.436 793 H HN 0.031 nan 8.280 nan 0.000 0.544 794 F N 2.386 121.971 119.950 -0.608 0.000 2.120 794 F HA -0.219 4.311 4.527 0.004 0.000 0.300 794 F C 1.786 177.224 175.800 -0.604 0.000 1.095 794 F CA 1.530 59.179 58.000 -0.586 0.000 1.249 794 F CB -0.293 38.359 39.000 -0.581 0.000 0.995 794 F HN 0.187 nan 8.300 nan 0.000 0.480 795 H N 0.288 119.150 119.070 -0.348 0.000 2.568 795 H HA 0.440 4.997 4.556 0.003 0.000 0.302 795 H C 0.761 175.868 175.328 -0.368 0.000 1.065 795 H CA 0.224 56.010 56.048 -0.436 0.000 1.140 795 H CB -1.012 28.718 29.762 -0.053 0.000 1.474 795 H HN 0.198 nan 8.280 nan 0.000 0.545 796 A N 1.116 123.755 122.820 -0.302 0.000 2.561 796 A HA -0.091 4.232 4.320 0.004 0.000 0.234 796 A C 1.631 179.136 177.584 -0.132 0.000 1.055 796 A CA 0.082 52.014 52.037 -0.175 0.000 0.756 796 A CB 0.333 19.262 19.000 -0.118 0.000 0.986 796 A HN 0.546 nan 8.150 nan 0.000 0.505 797 E N 0.832 121.026 120.200 -0.010 0.000 2.153 797 E HA -0.236 4.116 4.350 0.004 0.000 0.194 797 E C 0.996 177.707 176.600 0.185 0.000 0.988 797 E CA 1.492 57.960 56.400 0.114 0.000 0.811 797 E CB -0.014 29.732 29.700 0.077 0.000 0.746 797 E HN 0.896 nan 8.360 nan 0.000 0.466 798 D N -1.141 119.309 120.400 0.083 0.000 2.378 798 D HA -0.044 4.599 4.640 0.004 0.000 0.222 798 D C 1.320 177.656 176.300 0.060 0.000 0.980 798 D CA 0.973 55.029 54.000 0.094 0.000 0.907 798 D CB -0.229 40.604 40.800 0.054 0.000 0.899 798 D HN 0.308 nan 8.370 nan 0.000 0.527 799 G N -0.016 108.773 108.800 -0.018 0.000 2.184 799 G HA2 -0.389 3.574 3.960 0.004 0.000 0.264 799 G HA3 -0.389 3.574 3.960 0.004 0.000 0.264 799 G C 1.258 176.144 174.900 -0.023 0.000 0.975 799 G CA 1.128 46.214 45.100 -0.024 0.000 0.642 799 G HN 0.690 nan 8.290 nan 0.000 0.536 800 S N -0.305 115.384 115.700 -0.017 0.000 2.383 800 S HA 0.074 4.547 4.470 0.004 0.000 0.229 800 S C 2.455 177.136 174.600 0.136 0.000 1.030 800 S CA 1.729 59.967 58.200 0.064 0.000 1.002 800 S CB -0.717 62.518 63.200 0.059 0.000 0.829 800 S HN 1.546 nan 8.310 nan 0.000 0.467 801 G N 0.254 109.069 108.800 0.025 0.000 2.394 801 G HA2 -0.037 3.926 3.960 0.004 0.000 0.215 801 G HA3 -0.037 3.926 3.960 0.004 0.000 0.215 801 G C 1.191 176.231 174.900 0.234 0.000 1.165 801 G CA 0.708 45.927 45.100 0.198 0.000 0.784 801 G HN 0.558 nan 8.290 nan 0.000 0.535 802 Y N 1.142 121.468 120.300 0.042 0.000 2.145 802 Y HA -0.020 4.534 4.550 0.007 0.000 0.286 802 Y C 2.983 179.089 175.900 0.343 0.000 1.145 802 Y CA 0.942 59.161 58.100 0.198 0.000 1.148 802 Y CB -0.646 37.875 38.460 0.102 0.000 0.981 802 Y HN 0.085 nan 8.280 nan 0.000 0.507 803 R N -1.115 119.607 120.500 0.370 0.000 2.075 803 R HA -0.167 4.176 4.340 0.004 0.000 0.232 803 R C 2.201 178.674 176.300 0.288 0.000 1.126 803 R CA 1.613 57.877 56.100 0.274 0.000 0.963 803 R CB -0.919 29.492 30.300 0.186 0.000 0.858 803 R HN 0.295 nan 8.270 nan 0.000 0.435 804 F N 1.896 121.953 119.950 0.179 0.000 2.069 804 F HA -0.235 4.296 4.527 0.007 0.000 0.298 804 F C 2.075 177.980 175.800 0.176 0.000 1.113 804 F CA 1.410 59.481 58.000 0.118 0.000 1.214 804 F CB -0.144 38.873 39.000 0.028 0.000 0.978 804 F HN -0.144 nan 8.300 nan 0.000 0.474 805 I N 0.740 121.494 120.570 0.306 0.000 2.226 805 I HA -0.254 3.919 4.170 0.004 0.000 0.245 805 I C 2.757 178.993 176.117 0.198 0.000 1.100 805 I CA 1.464 62.882 61.300 0.195 0.000 1.374 805 I CB -2.166 36.033 38.000 0.332 0.000 1.057 805 I HN 0.262 nan 8.210 nan 0.000 0.413 806 A N 0.624 123.691 122.820 0.412 0.000 1.877 806 A HA -0.231 4.091 4.320 0.004 0.000 0.216 806 A C 2.008 179.645 177.584 0.088 0.000 1.186 806 A CA 1.988 54.205 52.037 0.300 0.000 0.620 806 A CB -0.706 18.432 19.000 0.230 0.000 0.822 806 A HN 0.348 nan 8.150 nan 0.000 0.443 807 D N 0.037 120.452 120.400 0.026 0.000 2.133 807 D HA -0.161 4.482 4.640 0.004 0.000 0.192 807 D C 1.843 178.070 176.300 -0.122 0.000 1.001 807 D CA 1.473 55.439 54.000 -0.056 0.000 0.844 807 D CB -0.139 40.605 40.800 -0.093 0.000 0.944 807 D HN 0.326 nan 8.370 nan 0.000 0.447 808 K N 0.334 120.598 120.400 -0.226 0.000 2.228 808 K HA 0.031 4.354 4.320 0.004 0.000 0.202 808 K C 2.276 178.803 176.600 -0.122 0.000 1.051 808 K CA 0.108 56.265 56.287 -0.216 0.000 0.960 808 K CB -0.447 31.846 32.500 -0.345 0.000 0.743 808 K HN 0.126 nan 8.250 nan 0.000 0.458 809 V N 2.065 121.942 119.914 -0.061 0.000 2.295 809 V HA -0.226 3.896 4.120 0.004 0.000 0.246 809 V C 2.366 178.416 176.094 -0.073 0.000 1.049 809 V CA 1.462 63.738 62.300 -0.041 0.000 1.024 809 V CB -0.426 31.433 31.823 0.060 0.000 0.648 809 V HN 0.154 nan 8.190 nan 0.000 0.447 810 I N -0.025 120.517 120.570 -0.046 0.000 2.118 810 I HA -0.318 3.854 4.170 0.004 0.000 0.241 810 I C 2.629 178.699 176.117 -0.078 0.000 1.070 810 I CA 2.303 63.572 61.300 -0.051 0.000 1.327 810 I CB -0.366 37.618 38.000 -0.026 0.000 1.034 810 I HN 0.425 nan 8.210 nan 0.000 0.405 811 E N 1.311 121.466 120.200 -0.075 0.000 2.047 811 E HA -0.201 4.152 4.350 0.004 0.000 0.191 811 E C 2.338 178.845 176.600 -0.156 0.000 0.987 811 E CA 1.220 57.590 56.400 -0.049 0.000 0.799 811 E CB -0.020 29.681 29.700 0.001 0.000 0.752 811 E HN 0.451 nan 8.360 nan 0.000 0.449 812 I N 1.184 121.586 120.570 -0.281 0.000 2.286 812 I HA -0.232 3.941 4.170 0.004 0.000 0.248 812 I C 2.159 177.767 176.117 -0.847 0.000 1.115 812 I CA 1.397 62.263 61.300 -0.723 0.000 1.392 812 I CB -0.276 37.471 38.000 -0.421 0.000 1.065 812 I HN 0.165 nan 8.210 nan 0.000 0.418 813 D N 0.971 121.120 120.400 -0.417 0.000 2.263 813 D HA -0.165 4.478 4.640 0.004 0.000 0.208 813 D C 2.199 178.338 176.300 -0.268 0.000 0.971 813 D CA 0.980 54.797 54.000 -0.305 0.000 0.867 813 D CB 0.066 40.766 40.800 -0.166 0.000 0.929 813 D HN 0.172 nan 8.370 nan 0.000 0.492 814 R N -1.134 119.218 120.500 -0.247 0.000 2.285 814 R HA -0.047 4.296 4.340 0.004 0.000 0.213 814 R C 1.107 177.406 176.300 -0.001 0.000 1.068 814 R CA 1.155 57.205 56.100 -0.082 0.000 1.004 814 R CB -0.134 30.180 30.300 0.022 0.000 0.873 814 R HN 0.466 nan 8.270 nan 0.000 0.467 815 F N -4.145 115.777 119.950 -0.047 0.000 2.835 815 F HA 0.388 4.917 4.527 0.004 0.000 0.341 815 F C 0.197 175.946 175.800 -0.084 0.000 0.940 815 F CA -0.843 57.122 58.000 -0.059 0.000 1.125 815 F CB 0.374 39.340 39.000 -0.057 0.000 0.974 815 F HN -0.276 nan 8.300 nan 0.000 0.601 816 N N 1.904 120.326 118.700 -0.463 0.000 2.727 816 N HA 0.352 5.095 4.740 0.004 0.000 0.252 816 N C -2.442 172.900 175.510 -0.280 0.000 1.283 816 N CA -2.179 50.723 53.050 -0.246 0.000 0.782 816 N CB 1.261 39.681 38.487 -0.111 0.000 1.199 816 N HN -0.141 nan 8.380 nan 0.000 0.520 817 P HA -0.136 nan 4.420 nan 0.000 0.217 817 P C 1.028 178.232 177.300 -0.160 0.000 1.148 817 P CA 1.365 64.364 63.100 -0.168 0.000 0.828 817 P CB 0.548 32.174 31.700 -0.122 0.000 0.783 818 Q N -0.982 118.715 119.800 -0.172 0.000 2.079 818 Q HA -0.088 4.255 4.340 0.004 0.000 0.200 818 Q C 2.102 178.005 176.000 -0.162 0.000 0.974 818 Q CA 1.186 56.885 55.803 -0.174 0.000 0.840 818 Q CB -0.667 27.944 28.738 -0.211 0.000 0.898 818 Q HN 0.115 nan 8.270 nan 0.000 0.430 819 V N 0.941 120.756 119.914 -0.166 0.000 2.343 819 V HA -0.272 3.851 4.120 0.004 0.000 0.247 819 V C 2.248 178.259 176.094 -0.139 0.000 1.051 819 V CA 1.846 64.061 62.300 -0.143 0.000 1.036 819 V CB -0.926 30.822 31.823 -0.125 0.000 0.654 819 V HN 0.398 nan 8.190 nan 0.000 0.451 820 A N -0.095 122.624 122.820 -0.168 0.000 1.933 820 A HA -0.093 4.229 4.320 0.004 0.000 0.218 820 A C 2.361 179.888 177.584 -0.094 0.000 1.175 820 A CA 2.035 53.987 52.037 -0.142 0.000 0.628 820 A CB -0.666 18.229 19.000 -0.175 0.000 0.814 820 A HN 0.574 nan 8.150 nan 0.000 0.444 821 A N -1.047 121.713 122.820 -0.100 0.000 2.014 821 A HA -0.036 4.287 4.320 0.004 0.000 0.218 821 A C 2.241 179.779 177.584 -0.076 0.000 1.163 821 A CA 1.014 53.005 52.037 -0.077 0.000 0.652 821 A CB -0.338 18.608 19.000 -0.090 0.000 0.808 821 A HN 0.387 nan 8.150 nan 0.000 0.449 822 R N -0.992 119.452 120.500 -0.094 0.000 2.062 822 R HA -0.047 4.296 4.340 0.004 0.000 0.229 822 R C 2.075 178.323 176.300 -0.087 0.000 1.128 822 R CA 1.331 57.375 56.100 -0.093 0.000 0.960 822 R CB -0.921 29.316 30.300 -0.106 0.000 0.855 822 R HN 0.517 nan 8.270 nan 0.000 0.432 823 L N 0.818 121.987 121.223 -0.089 0.000 2.046 823 L HA -0.104 4.238 4.340 0.004 0.000 0.208 823 L C 2.188 178.999 176.870 -0.098 0.000 1.077 823 L CA 1.415 56.194 54.840 -0.102 0.000 0.747 823 L CB -0.618 41.389 42.059 -0.087 0.000 0.896 823 L HN -0.077 nan 8.230 nan 0.000 0.432 824 V N -0.440 119.467 119.914 -0.013 0.000 2.867 824 V HA -0.273 3.850 4.120 0.004 0.000 0.260 824 V C 2.227 178.400 176.094 0.132 0.000 1.099 824 V CA 1.639 64.015 62.300 0.127 0.000 1.122 824 V CB -0.426 31.492 31.823 0.159 0.000 0.708 824 V HN 0.677 nan 8.190 nan 0.000 0.490 825 Q N -0.547 119.264 119.800 0.017 0.000 2.472 825 Q HA 0.043 4.386 4.340 0.004 0.000 0.208 825 Q C 2.228 178.220 176.000 -0.013 0.000 0.958 825 Q CA 0.850 56.671 55.803 0.030 0.000 0.932 825 Q CB -0.178 28.562 28.738 0.004 0.000 1.007 825 Q HN 0.741 nan 8.270 nan 0.000 0.508 826 A N 0.212 122.921 122.820 -0.186 0.000 2.076 826 A HA -0.145 4.178 4.320 0.004 0.000 0.220 826 A C 1.185 178.689 177.584 -0.132 0.000 1.160 826 A CA 0.988 52.785 52.037 -0.401 0.000 0.653 826 A CB -0.396 18.017 19.000 -0.978 0.000 0.801 826 A HN 0.308 nan 8.150 nan 0.000 0.455 827 F N 0.097 120.154 119.950 0.177 0.000 2.797 827 F HA 0.093 4.622 4.527 0.003 0.000 0.302 827 F C 1.621 177.500 175.800 0.131 0.000 1.130 827 F CA -0.054 58.076 58.000 0.218 0.000 1.387 827 F CB -0.453 38.625 39.000 0.131 0.000 1.107 827 F HN 0.143 nan 8.300 nan 0.000 0.577 828 N N 0.385 119.241 118.700 0.260 0.000 2.272 828 N HA -0.160 4.583 4.740 0.004 0.000 0.185 828 N C 1.834 177.447 175.510 0.171 0.000 1.014 828 N CA 0.728 53.891 53.050 0.188 0.000 0.870 828 N CB -0.339 38.240 38.487 0.154 0.000 0.975 828 N HN 0.216 nan 8.380 nan 0.000 0.433 829 L N 0.388 121.731 121.223 0.198 0.000 2.549 829 L HA -0.021 4.322 4.340 0.004 0.000 0.229 829 L C 2.124 179.024 176.870 0.049 0.000 1.158 829 L CA 0.535 55.446 54.840 0.118 0.000 0.842 829 L CB -0.905 41.211 42.059 0.095 0.000 0.952 829 L HN 0.234 nan 8.230 nan 0.000 0.452 830 C N 0.113 119.458 119.300 0.075 0.000 2.284 830 C HA -0.358 4.105 4.460 0.004 0.000 0.269 830 C C 2.837 177.813 174.990 -0.023 0.000 1.133 830 C CA 2.042 61.065 59.018 0.008 0.000 1.794 830 C CB -1.157 26.584 27.740 0.002 0.000 1.976 830 C HN 0.815 nan 8.230 nan 0.000 0.424 831 N N -0.327 118.370 118.700 -0.005 0.000 2.348 831 N HA -0.136 4.606 4.740 0.004 0.000 0.185 831 N C 1.157 176.655 175.510 -0.019 0.000 1.019 831 N CA 1.085 54.130 53.050 -0.008 0.000 0.880 831 N CB -0.207 38.286 38.487 0.010 0.000 0.965 831 N HN 0.604 nan 8.380 nan 0.000 0.437 832 K N 0.328 120.707 120.400 -0.035 0.000 2.374 832 K HA 0.216 4.539 4.320 0.004 0.000 0.196 832 K C 0.376 176.909 176.600 -0.111 0.000 1.023 832 K CA -0.138 56.112 56.287 -0.061 0.000 1.103 832 K CB 0.467 32.928 32.500 -0.066 0.000 0.848 832 K HN 0.227 nan 8.250 nan 0.000 0.528 833 L N 2.605 123.763 121.223 -0.108 0.000 2.418 833 L HA 0.057 4.400 4.340 0.004 0.000 0.265 833 L C 0.669 177.500 176.870 -0.065 0.000 1.143 833 L CA -0.704 54.061 54.840 -0.125 0.000 0.809 833 L CB 0.519 42.516 42.059 -0.104 0.000 1.124 833 L HN 0.123 nan 8.230 nan 0.000 0.456 834 E N 2.735 122.908 120.200 -0.045 0.000 2.459 834 E HA -0.039 4.313 4.350 0.004 0.000 0.264 834 E C -2.224 174.389 176.600 0.021 0.000 1.055 834 E CA -0.848 55.553 56.400 0.001 0.000 0.957 834 E CB -0.121 29.593 29.700 0.023 0.000 0.952 834 E HN 0.261 nan 8.360 nan 0.000 0.448 835 P HA -0.235 nan 4.420 nan 0.000 0.215 835 P C 0.988 178.322 177.300 0.057 0.000 1.153 835 P CA 1.734 64.855 63.100 0.034 0.000 0.853 835 P CB -0.142 31.582 31.700 0.039 0.000 0.788 836 H N 0.349 119.425 119.070 0.008 0.000 2.290 836 H HA -0.088 4.472 4.556 0.006 0.000 0.298 836 H C 2.032 177.386 175.328 0.044 0.000 1.087 836 H CA 1.752 57.815 56.048 0.024 0.000 1.291 836 H CB 0.003 29.783 29.762 0.029 0.000 1.369 836 H HN -0.034 nan 8.280 nan 0.000 0.492 837 R N 0.463 120.970 120.500 0.012 0.000 2.081 837 R HA -0.121 4.221 4.340 0.004 0.000 0.235 837 R C 2.639 178.866 176.300 -0.121 0.000 1.131 837 R CA 1.481 57.596 56.100 0.025 0.000 0.960 837 R CB -0.140 30.273 30.300 0.188 0.000 0.856 837 R HN 0.272 nan 8.270 nan 0.000 0.436 838 K N 1.096 121.438 120.400 -0.097 0.000 2.020 838 K HA -0.247 4.075 4.320 0.004 0.000 0.212 838 K C 1.986 178.499 176.600 -0.146 0.000 1.050 838 K CA 1.948 58.162 56.287 -0.122 0.000 0.929 838 K CB -0.287 32.170 32.500 -0.071 0.000 0.714 838 K HN 0.136 nan 8.250 nan 0.000 0.443 839 N N 0.516 119.144 118.700 -0.119 0.000 2.061 839 N HA -0.214 4.528 4.740 0.004 0.000 0.193 839 N C 1.856 177.274 175.510 -0.152 0.000 1.030 839 N CA 1.887 54.866 53.050 -0.117 0.000 0.856 839 N CB -0.119 38.312 38.487 -0.093 0.000 1.023 839 N HN 0.253 nan 8.380 nan 0.000 0.424 840 L N 0.561 121.672 121.223 -0.186 0.000 2.093 840 L HA -0.113 4.229 4.340 0.004 0.000 0.208 840 L C 2.549 179.269 176.870 -0.251 0.000 1.085 840 L CA 0.635 55.387 54.840 -0.147 0.000 0.755 840 L CB -0.413 41.630 42.059 -0.026 0.000 0.904 840 L HN 0.020 nan 8.230 nan 0.000 0.435 841 V N 0.086 119.732 119.914 -0.447 0.000 2.343 841 V HA -0.275 3.848 4.120 0.004 0.000 0.247 841 V C 2.485 178.328 176.094 -0.418 0.000 1.051 841 V CA 1.726 63.688 62.300 -0.562 0.000 1.036 841 V CB -0.512 31.003 31.823 -0.513 0.000 0.654 841 V HN 0.429 nan 8.190 nan 0.000 0.451 842 K N -0.411 119.827 120.400 -0.270 0.000 2.057 842 K HA -0.200 4.123 4.320 0.004 0.000 0.207 842 K C 2.278 178.764 176.600 -0.190 0.000 1.049 842 K CA 1.427 57.593 56.287 -0.203 0.000 0.931 842 K CB -0.232 32.189 32.500 -0.131 0.000 0.714 842 K HN 0.530 nan 8.250 nan 0.000 0.440 843 Q N 0.357 120.057 119.800 -0.167 0.000 2.061 843 Q HA -0.193 4.150 4.340 0.004 0.000 0.204 843 Q C 2.265 178.172 176.000 -0.155 0.000 0.984 843 Q CA 1.688 57.414 55.803 -0.127 0.000 0.846 843 Q CB -0.278 28.407 28.738 -0.088 0.000 0.902 843 Q HN 0.362 nan 8.270 nan 0.000 0.421 844 A N 0.877 123.560 122.820 -0.228 0.000 1.883 844 A HA -0.187 4.136 4.320 0.004 0.000 0.217 844 A C 2.087 179.468 177.584 -0.338 0.000 1.186 844 A CA 1.318 53.188 52.037 -0.278 0.000 0.624 844 A CB -0.765 17.982 19.000 -0.423 0.000 0.822 844 A HN 0.300 nan 8.150 nan 0.000 0.444 845 L N -0.793 120.166 121.223 -0.439 0.000 2.093 845 L HA -0.207 4.135 4.340 0.004 0.000 0.208 845 L C 2.919 179.688 176.870 -0.168 0.000 1.085 845 L CA 1.078 55.726 54.840 -0.321 0.000 0.755 845 L CB -0.515 41.359 42.059 -0.307 0.000 0.904 845 L HN 0.401 nan 8.230 nan 0.000 0.435 846 Q N -0.084 119.629 119.800 -0.144 0.000 2.050 846 Q HA -0.251 4.091 4.340 0.004 0.000 0.202 846 Q C 2.278 178.235 176.000 -0.070 0.000 0.980 846 Q CA 1.552 57.303 55.803 -0.088 0.000 0.840 846 Q CB -0.352 28.341 28.738 -0.075 0.000 0.898 846 Q HN 0.441 nan 8.270 nan 0.000 0.424 847 R N 0.411 120.865 120.500 -0.076 0.000 2.105 847 R HA -0.097 4.245 4.340 0.004 0.000 0.239 847 R C 2.292 178.566 176.300 -0.044 0.000 1.135 847 R CA 1.008 57.078 56.100 -0.050 0.000 0.967 847 R CB -0.171 30.103 30.300 -0.043 0.000 0.861 847 R HN 0.209 nan 8.270 nan 0.000 0.442 848 I N 0.032 120.567 120.570 -0.059 0.000 2.202 848 I HA -0.252 3.921 4.170 0.004 0.000 0.242 848 I C 2.729 178.826 176.117 -0.034 0.000 1.091 848 I CA 1.206 62.482 61.300 -0.040 0.000 1.368 848 I CB -0.341 37.636 38.000 -0.039 0.000 1.058 848 I HN 0.234 nan 8.210 nan 0.000 0.410 849 R N 1.570 122.045 120.500 -0.041 0.000 2.105 849 R HA -0.193 4.149 4.340 0.004 0.000 0.239 849 R C 2.173 178.460 176.300 -0.021 0.000 1.135 849 R CA 1.669 57.751 56.100 -0.029 0.000 0.967 849 R CB -0.262 30.019 30.300 -0.032 0.000 0.861 849 R HN 0.360 nan 8.270 nan 0.000 0.442 850 A N 0.805 123.611 122.820 -0.023 0.000 2.172 850 A HA -0.037 4.285 4.320 0.004 0.000 0.216 850 A C 0.516 178.093 177.584 -0.012 0.000 1.154 850 A CA 0.411 52.438 52.037 -0.016 0.000 0.701 850 A CB -0.096 18.893 19.000 -0.017 0.000 0.789 850 A HN 0.332 nan 8.150 nan 0.000 0.465 851 Q N 1.612 121.404 119.800 -0.013 0.000 2.271 851 Q HA 0.087 4.430 4.340 0.004 0.000 0.273 851 Q C -0.457 175.539 176.000 -0.007 0.000 1.051 851 Q CA 0.355 56.152 55.803 -0.011 0.000 0.901 851 Q CB 0.317 29.046 28.738 -0.015 0.000 1.174 851 Q HN 0.619 nan 8.270 nan 0.000 0.385 852 E N 0.386 120.584 120.200 -0.003 0.000 2.452 852 E HA 0.156 4.509 4.350 0.004 0.000 0.261 852 E C 0.849 177.448 176.600 -0.002 0.000 0.987 852 E CA 0.604 57.004 56.400 -0.000 0.000 0.926 852 E CB 0.267 29.969 29.700 0.003 0.000 0.934 852 E HN 0.859 nan 8.360 nan 0.000 0.452 853 G N 2.432 111.232 108.800 0.000 0.000 2.148 853 G HA2 -0.301 3.661 3.960 0.004 0.000 0.254 853 G HA3 -0.301 3.661 3.960 0.004 0.000 0.254 853 G C 0.059 174.953 174.900 -0.009 0.000 0.981 853 G CA 0.022 45.121 45.100 -0.001 0.000 0.670 853 G HN 0.420 nan 8.290 nan 0.000 0.528 854 L N 2.496 123.712 121.223 -0.011 0.000 2.540 854 L HA 0.482 4.825 4.340 0.004 0.000 0.276 854 L C 1.362 178.221 176.870 -0.017 0.000 1.212 854 L CA 0.555 55.383 54.840 -0.019 0.000 0.893 854 L CB 0.417 42.466 42.059 -0.015 0.000 1.138 854 L HN 0.765 nan 8.230 nan 0.000 0.491 855 S N 3.681 119.363 115.700 -0.030 0.000 2.573 855 S HA 0.038 4.510 4.470 0.004 0.000 0.277 855 S C 1.133 175.727 174.600 -0.010 0.000 1.346 855 S CA 0.093 58.277 58.200 -0.026 0.000 1.034 855 S CB 0.478 63.648 63.200 -0.049 0.000 0.879 855 S HN 0.793 nan 8.310 nan 0.000 0.528 856 K N 1.041 121.443 120.400 0.004 0.000 2.103 856 K HA -0.200 4.123 4.320 0.004 0.000 0.207 856 K C 1.120 177.732 176.600 0.019 0.000 1.048 856 K CA 2.137 58.439 56.287 0.025 0.000 0.930 856 K CB -0.463 32.064 32.500 0.045 0.000 0.716 856 K HN 0.750 nan 8.250 nan 0.000 0.444 857 D N -0.072 120.324 120.400 -0.007 0.000 2.087 857 D HA -0.181 4.461 4.640 0.004 0.000 0.192 857 D C 1.840 178.125 176.300 -0.026 0.000 0.993 857 D CA 1.467 55.452 54.000 -0.026 0.000 0.828 857 D CB -0.258 40.504 40.800 -0.064 0.000 0.968 857 D HN 0.008 nan 8.370 nan 0.000 0.448 858 V N 0.535 120.431 119.914 -0.031 0.000 2.548 858 V HA -0.052 4.070 4.120 0.004 0.000 0.249 858 V C 2.445 178.537 176.094 -0.003 0.000 1.055 858 V CA 1.821 64.108 62.300 -0.022 0.000 1.065 858 V CB -0.935 30.870 31.823 -0.030 0.000 0.681 858 V HN 0.316 nan 8.190 nan 0.000 0.462 859 G N -0.338 108.463 108.800 0.001 0.000 2.440 859 G HA2 -0.310 3.652 3.960 0.004 0.000 0.218 859 G HA3 -0.310 3.652 3.960 0.004 0.000 0.218 859 G C 1.501 176.415 174.900 0.025 0.000 1.154 859 G CA 1.032 46.139 45.100 0.011 0.000 0.767 859 G HN 0.582 nan 8.290 nan 0.000 0.552 860 E N -0.055 120.165 120.200 0.034 0.000 2.051 860 E HA -0.137 4.216 4.350 0.004 0.000 0.192 860 E C 2.451 179.076 176.600 0.041 0.000 0.991 860 E CA 0.909 57.342 56.400 0.055 0.000 0.799 860 E CB -0.085 29.664 29.700 0.082 0.000 0.748 860 E HN 0.321 nan 8.360 nan 0.000 0.449 861 I N 0.824 121.404 120.570 0.017 0.000 2.202 861 I HA -0.201 3.972 4.170 0.004 0.000 0.242 861 I C 2.535 178.672 176.117 0.034 0.000 1.091 861 I CA 0.769 62.079 61.300 0.016 0.000 1.368 861 I CB -1.272 36.730 38.000 0.004 0.000 1.058 861 I HN 0.113 nan 8.210 nan 0.000 0.410 862 V N 1.528 121.459 119.914 0.027 0.000 2.332 862 V HA -0.212 3.910 4.120 0.004 0.000 0.248 862 V C 2.727 178.830 176.094 0.015 0.000 1.055 862 V CA 2.072 64.382 62.300 0.016 0.000 1.038 862 V CB -1.580 30.241 31.823 -0.004 0.000 0.651 862 V HN 0.526 nan 8.190 nan 0.000 0.450 863 G N 0.039 108.852 108.800 0.023 0.000 2.442 863 G HA2 -0.225 3.738 3.960 0.004 0.000 0.219 863 G HA3 -0.225 3.738 3.960 0.004 0.000 0.219 863 G C 1.622 176.546 174.900 0.040 0.000 1.141 863 G CA 0.638 45.755 45.100 0.029 0.000 0.763 863 G HN 0.414 nan 8.290 nan 0.000 0.554 864 K N 0.364 120.796 120.400 0.052 0.000 2.057 864 K HA 0.041 4.364 4.320 0.004 0.000 0.206 864 K C 2.417 179.051 176.600 0.057 0.000 1.050 864 K CA 0.720 57.046 56.287 0.065 0.000 0.935 864 K CB -0.401 32.146 32.500 0.078 0.000 0.715 864 K HN 0.434 nan 8.250 nan 0.000 0.439 865 I N 0.722 121.321 120.570 0.048 0.000 2.233 865 I HA -0.200 3.972 4.170 0.004 0.000 0.243 865 I C 2.388 178.515 176.117 0.018 0.000 1.093 865 I CA 0.884 62.209 61.300 0.043 0.000 1.380 865 I CB -0.207 37.824 38.000 0.052 0.000 1.067 865 I HN -0.016 nan 8.210 nan 0.000 0.413 866 L N -0.080 121.145 121.223 0.004 0.000 2.095 866 L HA -0.039 4.304 4.340 0.004 0.000 0.204 866 L C 0.687 177.557 176.870 0.001 0.000 1.080 866 L CA 0.864 55.697 54.840 -0.012 0.000 0.759 866 L CB -0.344 41.700 42.059 -0.026 0.000 0.914 866 L HN 0.245 nan 8.230 nan 0.000 0.439 867 D N 0.000 120.409 120.400 0.014 0.000 6.856 867 D HA 0.000 4.643 4.640 0.004 0.000 0.175 867 D CA 0.000 54.011 54.000 0.019 0.000 0.868 867 D CB 0.000 40.814 40.800 0.024 0.000 0.688 867 D HN 0.000 nan 8.370 nan 0.000 0.683