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 1it7_1_B DATA FIRST_RESID 6 DATA SEQUENCE KMLKFEIKAR DGAGRIGKLE VNGKKIETPA IMPVVNPKQM VVEPKELEKM DATA SEQUENCE GFEIIITNSY IIYKDEELRR KALELGIHRM LDYNGIIEVD SGSFQLMKYG DATA SEQUENCE SIEVSNREII EFQHRIGVDI GTFLDIPTPP DAPREQAVKE LEITLSRARE DATA SEQUENCE AEEIKEIPMN ATIQGSTYTD LRRYAARRLS SMNFEIHPIG GVVPLLESYR DATA SEQUENCE FRDVVDIVIS SKMALRPDRP VHLFGAGHPI VFALAVAMGV DLFDSASYAL DATA SEQUENCE YAKDDRYMTP EGTKRLDELD YFPCSCPVCS KYTPQELREM PKEERTRLLA DATA SEQUENCE LHNLWVIKEE IKRVKQAIKE GELWRLVDER ARSHPKLYSA YKRLLEHYTF DATA SEQUENCE LEEFEPITKK SALFKISNES LRWPVVRRAK ERAKSINERF GELVEHPIFG DATA SEQUENCE RVSRYLSLTY PFAQSEAEDD FKIEKPTKED AIKYVMAIAE YQFGEGASRA DATA SEQUENCE FDDAKVELSK TGMPRQVKVN GKRLATVRAD DGLLTLGIEG AKRLHRVLPY DATA SEQUENCE PRMRVVVNKE AEPFARKGKD VFAKFVIFAD PGIRPYDEVL VVNENDELLA DATA SEQUENCE TGQALLSGRE MIVFQYGRAV KVRKGVE 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.627 176.600 0.046 0.000 0.988 6 K CA 0.000 56.334 56.287 0.079 0.000 0.838 6 K CB 0.000 32.568 32.500 0.114 0.000 1.064 7 M N 0.779 120.391 119.600 0.020 0.000 2.428 7 M HA 0.203 4.683 4.480 0.001 0.000 0.239 7 M C -0.172 176.123 176.300 -0.008 0.000 1.121 7 M CA 0.140 55.442 55.300 0.003 0.000 1.019 7 M CB 0.584 33.184 32.600 -0.000 0.000 1.485 7 M HN 0.099 nan 8.290 nan 0.000 0.484 8 L N 1.112 122.327 121.223 -0.013 0.000 2.516 8 L HA 0.511 4.851 4.340 0.001 0.000 0.267 8 L C -1.457 175.346 176.870 -0.112 0.000 0.957 8 L CA -0.156 54.655 54.840 -0.047 0.000 0.860 8 L CB 1.818 43.853 42.059 -0.040 0.000 1.265 8 L HN 0.058 nan 8.230 nan 0.000 0.403 9 K N 4.613 124.885 120.400 -0.213 0.000 2.164 9 K HA 0.606 4.927 4.320 0.001 0.000 0.258 9 K C -1.623 174.856 176.600 -0.202 0.000 0.951 9 K CA -0.612 55.349 56.287 -0.544 0.000 0.844 9 K CB 2.576 34.714 32.500 -0.604 0.000 1.099 9 K HN 0.383 nan 8.250 nan 0.000 0.435 10 F N 1.889 121.612 119.950 -0.378 0.000 2.607 10 F HA 0.274 4.802 4.527 0.001 0.000 0.322 10 F C -1.111 174.728 175.800 0.065 0.000 1.176 10 F CA -0.628 57.307 58.000 -0.108 0.000 0.977 10 F CB 1.668 40.639 39.000 -0.049 0.000 1.242 10 F HN 0.514 nan 8.300 nan 0.000 0.465 11 E N 5.853 125.741 120.200 -0.520 0.000 2.266 11 E HA 0.507 4.857 4.350 0.001 0.000 0.268 11 E C -1.125 175.128 176.600 -0.579 0.000 0.879 11 E CA -0.850 55.329 56.400 -0.368 0.000 0.762 11 E CB 1.946 31.542 29.700 -0.174 0.000 1.199 11 E HN 0.627 nan 8.360 nan 0.000 0.422 12 I N 4.724 125.007 120.570 -0.477 0.000 2.322 12 I HA 0.089 4.260 4.170 0.001 0.000 0.292 12 I C 1.026 176.971 176.117 -0.288 0.000 1.060 12 I CA 0.139 61.191 61.300 -0.414 0.000 1.309 12 I CB 0.663 38.404 38.000 -0.431 0.000 1.415 12 I HN 0.458 nan 8.210 nan 0.000 0.492 13 K N 4.921 125.190 120.400 -0.217 0.000 2.314 13 K HA 0.343 4.663 4.320 0.001 0.000 0.198 13 K C 0.419 176.955 176.600 -0.106 0.000 1.045 13 K CA 0.264 56.463 56.287 -0.147 0.000 0.988 13 K CB 0.472 32.902 32.500 -0.115 0.000 0.783 13 K HN 0.717 nan 8.250 nan 0.000 0.484 14 A N 1.400 124.160 122.820 -0.100 0.000 2.586 14 A HA 0.581 4.901 4.320 0.001 0.000 0.291 14 A C -1.497 176.054 177.584 -0.055 0.000 1.062 14 A CA -1.045 50.960 52.037 -0.053 0.000 0.666 14 A CB 1.185 20.158 19.000 -0.044 0.000 1.281 14 A HN 0.235 nan 8.150 nan 0.000 0.421 15 R N 0.363 120.852 120.500 -0.018 0.000 2.733 15 R HA 0.866 5.206 4.340 0.001 0.000 0.272 15 R C -2.187 174.100 176.300 -0.021 0.000 1.029 15 R CA -0.649 55.434 56.100 -0.029 0.000 0.888 15 R CB 1.833 32.117 30.300 -0.026 0.000 1.251 15 R HN 0.665 nan 8.270 nan 0.000 0.464 16 D N -1.036 119.330 120.400 -0.056 0.000 2.745 16 D HA 0.429 5.069 4.640 0.001 0.000 0.221 16 D C 0.271 176.485 176.300 -0.143 0.000 1.237 16 D CA 1.109 55.058 54.000 -0.084 0.000 0.781 16 D CB 1.903 42.617 40.800 -0.143 0.000 1.575 16 D HN 0.911 nan 8.370 nan 0.000 0.482 17 G N 1.868 110.620 108.800 -0.081 0.000 2.582 17 G HA2 -0.048 3.913 3.960 0.001 0.000 0.288 17 G HA3 -0.048 3.913 3.960 0.001 0.000 0.288 17 G C 0.820 175.739 174.900 0.031 0.000 1.247 17 G CA 0.771 45.848 45.100 -0.038 0.000 0.972 17 G HN 1.338 nan 8.290 nan 0.000 0.557 18 A N 0.534 123.360 122.820 0.011 0.000 2.345 18 A HA 0.668 4.989 4.320 0.001 0.000 0.225 18 A C 1.341 178.878 177.584 -0.080 0.000 1.243 18 A CA 1.455 53.494 52.037 0.004 0.000 0.875 18 A CB -0.455 18.596 19.000 0.085 0.000 0.929 18 A HN 2.058 nan 8.150 nan 0.000 0.502 19 G N 0.339 109.076 108.800 -0.105 0.000 2.528 19 G HA2 0.573 4.533 3.960 0.001 0.000 0.289 19 G HA3 0.573 4.533 3.960 0.001 0.000 0.289 19 G C -0.181 174.670 174.900 -0.083 0.000 1.192 19 G CA -0.697 44.344 45.100 -0.099 0.000 0.921 19 G HN 0.669 nan 8.290 nan 0.000 0.512 20 R N -0.501 119.966 120.500 -0.054 0.000 2.634 20 R HA 0.381 4.721 4.340 0.001 0.000 0.263 20 R C -1.756 174.528 176.300 -0.028 0.000 1.060 20 R CA -0.920 55.151 56.100 -0.047 0.000 0.898 20 R CB 1.083 31.359 30.300 -0.040 0.000 1.253 20 R HN 0.383 nan 8.270 nan 0.000 0.461 21 I N 1.843 122.382 120.570 -0.052 0.000 2.315 21 I HA 0.460 4.630 4.170 0.001 0.000 0.291 21 I C 0.364 176.436 176.117 -0.075 0.000 1.006 21 I CA -0.319 60.953 61.300 -0.046 0.000 1.265 21 I CB 1.791 39.758 38.000 -0.056 0.000 1.387 21 I HN 0.861 nan 8.210 nan 0.000 0.475 22 G N 5.059 113.838 108.800 -0.035 0.000 2.569 22 G HA2 0.496 4.456 3.960 0.001 0.000 0.300 22 G HA3 0.496 4.456 3.960 0.001 0.000 0.300 22 G C -1.440 173.420 174.900 -0.068 0.000 1.269 22 G CA -0.661 44.355 45.100 -0.140 0.000 0.959 22 G HN 0.500 nan 8.290 nan 0.000 0.478 23 K N 0.613 120.910 120.400 -0.172 0.000 2.293 23 K HA 0.565 4.885 4.320 0.001 0.000 0.267 23 K C -1.255 175.371 176.600 0.043 0.000 1.010 23 K CA -0.615 55.633 56.287 -0.065 0.000 0.875 23 K CB 1.248 33.687 32.500 -0.101 0.000 1.106 23 K HN 0.357 nan 8.250 nan 0.000 0.450 24 L N 4.006 125.301 121.223 0.120 0.000 2.319 24 L HA 0.433 4.773 4.340 0.001 0.000 0.281 24 L C -1.159 175.733 176.870 0.036 0.000 1.005 24 L CA -0.339 54.600 54.840 0.164 0.000 0.828 24 L CB 1.386 43.539 42.059 0.156 0.000 1.227 24 L HN 0.745 nan 8.230 nan 0.000 0.415 25 E N 4.108 124.304 120.200 -0.006 0.000 2.187 25 E HA 0.645 4.996 4.350 0.001 0.000 0.268 25 E C -1.843 174.733 176.600 -0.039 0.000 0.896 25 E CA -0.721 55.658 56.400 -0.035 0.000 0.766 25 E CB 2.109 31.773 29.700 -0.059 0.000 1.142 25 E HN 0.426 nan 8.360 nan 0.000 0.408 26 V N 4.369 124.268 119.914 -0.025 0.000 2.668 26 V HA 0.241 4.362 4.120 0.001 0.000 0.304 26 V C -0.520 175.566 176.094 -0.014 0.000 1.071 26 V CA -1.090 61.200 62.300 -0.016 0.000 0.894 26 V CB 1.549 33.373 31.823 0.000 0.000 1.008 26 V HN 0.940 nan 8.190 nan 0.000 0.425 27 N N 3.139 121.830 118.700 -0.016 0.000 2.727 27 N HA -0.187 4.553 4.740 0.001 0.000 0.249 27 N C 1.162 176.651 175.510 -0.035 0.000 1.048 27 N CA 1.779 54.815 53.050 -0.023 0.000 0.714 27 N CB -1.055 37.420 38.487 -0.019 0.000 0.959 27 N HN 1.723 nan 8.380 nan 0.000 0.544 28 G N -1.513 107.267 108.800 -0.033 0.000 2.175 28 G HA2 -0.397 3.563 3.960 0.001 0.000 0.265 28 G HA3 -0.397 3.563 3.960 0.001 0.000 0.265 28 G C -0.015 174.860 174.900 -0.041 0.000 0.979 28 G CA 0.894 45.972 45.100 -0.036 0.000 0.663 28 G HN 0.533 nan 8.290 nan 0.000 0.533 29 K N 0.631 121.008 120.400 -0.038 0.000 2.240 29 K HA 0.440 4.760 4.320 0.001 0.000 0.271 29 K C 0.251 176.834 176.600 -0.028 0.000 1.018 29 K CA -0.493 55.771 56.287 -0.039 0.000 0.874 29 K CB 1.230 33.708 32.500 -0.037 0.000 1.098 29 K HN 0.192 nan 8.250 nan 0.000 0.458 30 K N 2.681 123.063 120.400 -0.030 0.000 2.098 30 K HA 0.554 4.875 4.320 0.001 0.000 0.258 30 K C -0.482 176.107 176.600 -0.018 0.000 0.973 30 K CA -0.644 55.628 56.287 -0.024 0.000 0.898 30 K CB 1.401 33.883 32.500 -0.029 0.000 1.057 30 K HN 0.428 nan 8.250 nan 0.000 0.447 31 I N 0.592 121.157 120.570 -0.008 0.000 2.918 31 I HA 0.137 4.308 4.170 0.001 0.000 0.301 31 I C -1.269 174.848 176.117 0.000 0.000 1.312 31 I CA -0.640 60.656 61.300 -0.007 0.000 1.007 31 I CB 2.596 40.598 38.000 0.002 0.000 1.281 31 I HN 0.650 nan 8.210 nan 0.000 0.440 32 E N 3.284 123.477 120.200 -0.013 0.000 2.191 32 E HA 0.502 4.852 4.350 0.001 0.000 0.278 32 E C -1.145 175.454 176.600 -0.001 0.000 0.972 32 E CA -0.430 55.964 56.400 -0.010 0.000 0.804 32 E CB 1.548 31.229 29.700 -0.032 0.000 1.110 32 E HN 0.600 nan 8.360 nan 0.000 0.394 33 T N 1.205 115.777 114.554 0.030 0.000 2.912 33 T HA 0.516 4.867 4.350 0.001 0.000 0.288 33 T C -2.671 172.039 174.700 0.015 0.000 1.030 33 T CA -2.436 59.682 62.100 0.030 0.000 1.020 33 T CB 1.565 70.490 68.868 0.094 0.000 1.056 33 T HN 0.197 nan 8.240 nan 0.000 0.480 34 P HA 0.413 nan 4.420 nan 0.000 0.265 34 P C -1.053 176.228 177.300 -0.031 0.000 1.187 34 P CA 0.015 63.118 63.100 0.005 0.000 0.766 34 P CB 0.302 32.023 31.700 0.034 0.000 0.820 35 A N 3.172 125.972 122.820 -0.034 0.000 2.515 35 A HA 0.743 5.063 4.320 0.001 0.000 0.298 35 A C -1.416 176.138 177.584 -0.050 0.000 1.059 35 A CA -0.565 51.438 52.037 -0.058 0.000 0.698 35 A CB 1.118 20.087 19.000 -0.053 0.000 1.289 35 A HN 0.527 nan 8.150 nan 0.000 0.404 36 I N 1.765 122.302 120.570 -0.055 0.000 2.465 36 I HA 0.684 4.854 4.170 0.001 0.000 0.291 36 I C -0.355 175.757 176.117 -0.008 0.000 1.014 36 I CA -0.847 60.419 61.300 -0.057 0.000 1.093 36 I CB 1.623 39.531 38.000 -0.154 0.000 1.267 36 I HN 0.733 nan 8.210 nan 0.000 0.431 37 M N 7.377 126.937 119.600 -0.067 0.000 2.101 37 M HA 0.684 5.164 4.480 0.001 0.000 0.340 37 M C -2.734 173.468 176.300 -0.164 0.000 1.057 37 M CA -1.620 53.627 55.300 -0.089 0.000 0.984 37 M CB 0.946 33.507 32.600 -0.064 0.000 1.560 37 M HN 0.256 nan 8.290 nan 0.000 0.435 38 P HA 0.129 nan 4.420 nan 0.000 0.271 38 P C -0.546 176.665 177.300 -0.149 0.000 1.216 38 P CA -0.257 62.607 63.100 -0.394 0.000 0.771 38 P CB 0.867 32.060 31.700 -0.845 0.000 0.864 39 V N 5.171 125.094 119.914 0.017 0.000 2.508 39 V HA 0.096 4.216 4.120 0.001 0.000 0.281 39 V C 0.425 176.512 176.094 -0.013 0.000 1.041 39 V CA 0.057 62.347 62.300 -0.017 0.000 1.016 39 V CB 1.111 32.907 31.823 -0.046 0.000 0.984 39 V HN 0.237 nan 8.190 nan 0.000 0.478 40 V N 5.325 125.202 119.914 -0.063 0.000 2.417 40 V HA 0.329 4.450 4.120 0.001 0.000 0.291 40 V C 0.173 176.236 176.094 -0.052 0.000 1.024 40 V CA -0.747 61.516 62.300 -0.062 0.000 0.861 40 V CB 1.628 33.385 31.823 -0.110 0.000 0.985 40 V HN 0.928 nan 8.190 nan 0.000 0.436 41 N N 5.371 124.045 118.700 -0.043 0.000 2.414 41 N HA 0.265 5.006 4.740 0.001 0.000 0.256 41 N C -1.871 173.628 175.510 -0.018 0.000 1.029 41 N CA -1.651 51.381 53.050 -0.030 0.000 0.948 41 N CB 2.045 40.512 38.487 -0.033 0.000 1.102 41 N HN 0.316 nan 8.380 nan 0.000 0.496 42 P HA -0.150 nan 4.420 nan 0.000 0.218 42 P C 0.367 177.668 177.300 0.002 0.000 1.148 42 P CA 1.373 64.473 63.100 0.000 0.000 0.822 42 P CB 0.327 32.036 31.700 0.014 0.000 0.784 43 K N -1.012 119.388 120.400 0.001 0.000 2.029 43 K HA 0.035 4.356 4.320 0.001 0.000 0.205 43 K C 0.838 177.438 176.600 -0.000 0.000 1.042 43 K CA 0.872 57.160 56.287 0.002 0.000 0.949 43 K CB -0.004 32.498 32.500 0.003 0.000 0.740 43 K HN 0.241 nan 8.250 nan 0.000 0.442 44 Q N 0.594 120.391 119.800 -0.005 0.000 2.333 44 Q HA 0.431 4.772 4.340 0.001 0.000 0.267 44 Q C -1.009 174.983 176.000 -0.014 0.000 1.012 44 Q CA -0.220 55.579 55.803 -0.007 0.000 0.824 44 Q CB 2.341 31.074 28.738 -0.009 0.000 1.290 44 Q HN 0.088 nan 8.270 nan 0.000 0.449 45 M N 2.533 122.128 119.600 -0.008 0.000 2.053 45 M HA 0.231 4.712 4.480 0.001 0.000 0.297 45 M C 0.370 176.672 176.300 0.004 0.000 0.921 45 M CA -0.368 54.929 55.300 -0.006 0.000 0.918 45 M CB 1.826 34.425 32.600 -0.001 0.000 1.499 45 M HN 0.436 nan 8.290 nan 0.000 0.422 46 V N 2.400 122.314 119.914 0.001 0.000 2.358 46 V HA -0.072 4.049 4.120 0.001 0.000 0.246 46 V C 0.743 176.864 176.094 0.046 0.000 1.047 46 V CA 1.209 63.519 62.300 0.017 0.000 1.035 46 V CB -0.125 31.697 31.823 -0.001 0.000 0.658 46 V HN 0.738 nan 8.190 nan 0.000 0.452 47 V N -1.985 117.971 119.914 0.069 0.000 2.680 47 V HA 0.626 4.746 4.120 0.001 0.000 0.309 47 V C -0.714 175.392 176.094 0.021 0.000 1.052 47 V CA -0.936 61.395 62.300 0.052 0.000 0.908 47 V CB 2.003 33.858 31.823 0.053 0.000 1.001 47 V HN 0.325 nan 8.190 nan 0.000 0.431 48 E N 4.227 124.434 120.200 0.012 0.000 2.242 48 E HA 0.382 4.732 4.350 0.001 0.000 0.275 48 E C -1.985 174.611 176.600 -0.007 0.000 1.002 48 E CA -1.908 54.494 56.400 0.003 0.000 0.841 48 E CB 2.106 31.819 29.700 0.022 0.000 1.109 48 E HN 0.527 nan 8.360 nan 0.000 0.394 49 P HA -0.335 nan 4.420 nan 0.000 0.219 49 P C 0.997 178.385 177.300 0.146 0.000 1.158 49 P CA 2.112 65.188 63.100 -0.040 0.000 0.895 49 P CB 0.096 31.775 31.700 -0.034 0.000 0.792 50 K N -0.294 120.191 120.400 0.141 0.000 2.147 50 K HA -0.148 4.172 4.320 0.001 0.000 0.205 50 K C 1.824 178.487 176.600 0.104 0.000 1.049 50 K CA 1.469 57.841 56.287 0.142 0.000 0.936 50 K CB -0.698 31.858 32.500 0.093 0.000 0.722 50 K HN 0.191 nan 8.250 nan 0.000 0.446 51 E N 1.451 121.694 120.200 0.071 0.000 2.047 51 E HA -0.097 4.254 4.350 0.001 0.000 0.191 51 E C 2.195 178.828 176.600 0.055 0.000 0.987 51 E CA 1.038 57.469 56.400 0.052 0.000 0.799 51 E CB -0.223 29.498 29.700 0.036 0.000 0.752 51 E HN 0.257 nan 8.360 nan 0.000 0.449 52 L N 0.985 122.237 121.223 0.048 0.000 2.127 52 L HA -0.219 4.121 4.340 0.001 0.000 0.211 52 L C 2.605 179.614 176.870 0.231 0.000 1.089 52 L CA 1.237 56.135 54.840 0.097 0.000 0.757 52 L CB -0.324 41.681 42.059 -0.090 0.000 0.899 52 L HN 0.198 nan 8.230 nan 0.000 0.434 53 E N 0.395 120.739 120.200 0.239 0.000 2.107 53 E HA -0.198 4.153 4.350 0.001 0.000 0.191 53 E C 2.123 178.771 176.600 0.081 0.000 0.982 53 E CA 0.882 57.422 56.400 0.235 0.000 0.809 53 E CB 0.209 30.038 29.700 0.216 0.000 0.756 53 E HN 0.362 nan 8.360 nan 0.000 0.459 54 K N -0.153 120.283 120.400 0.060 0.000 2.148 54 K HA -0.045 4.275 4.320 0.001 0.000 0.204 54 K C 1.968 178.552 176.600 -0.026 0.000 1.050 54 K CA 1.168 57.468 56.287 0.021 0.000 0.942 54 K CB -0.012 32.510 32.500 0.037 0.000 0.724 54 K HN 0.242 nan 8.250 nan 0.000 0.446 55 M N -0.562 119.001 119.600 -0.063 0.000 2.630 55 M HA -0.005 4.476 4.480 0.001 0.000 0.254 55 M C 0.838 176.898 176.300 -0.400 0.000 1.092 55 M CA 1.014 56.162 55.300 -0.253 0.000 1.087 55 M CB 0.393 32.814 32.600 -0.298 0.000 1.453 55 M HN 0.497 nan 8.290 nan 0.000 0.509 56 G N 0.315 108.965 108.800 -0.250 0.000 2.163 56 G HA2 -0.224 3.736 3.960 0.001 0.000 0.213 56 G HA3 -0.224 3.736 3.960 0.001 0.000 0.213 56 G C -0.183 174.509 174.900 -0.346 0.000 0.991 56 G CA -0.708 44.213 45.100 -0.297 0.000 0.653 56 G HN 0.387 nan 8.290 nan 0.000 0.518 57 F N 1.631 121.529 119.950 -0.085 0.000 2.405 57 F HA 0.442 4.969 4.527 0.001 0.000 0.358 57 F C 1.224 177.073 175.800 0.082 0.000 1.151 57 F CA -0.473 57.490 58.000 -0.062 0.000 1.161 57 F CB 1.047 39.964 39.000 -0.139 0.000 1.245 57 F HN -0.077 nan 8.300 nan 0.000 0.545 58 E N 3.804 124.110 120.200 0.177 0.000 2.437 58 E HA 0.214 4.565 4.350 0.001 0.000 0.189 58 E C -0.091 176.659 176.600 0.250 0.000 1.054 58 E CA 0.196 56.700 56.400 0.172 0.000 0.874 58 E CB 0.543 30.263 29.700 0.034 0.000 1.011 58 E HN 0.584 nan 8.360 nan 0.000 0.474 59 I N 0.378 121.117 120.570 0.280 0.000 2.722 59 I HA 0.320 4.490 4.170 0.001 0.000 0.292 59 I C -1.353 174.802 176.117 0.064 0.000 1.267 59 I CA -0.905 60.514 61.300 0.198 0.000 1.036 59 I CB 1.430 39.478 38.000 0.080 0.000 1.281 59 I HN -0.106 nan 8.210 nan 0.000 0.423 60 I N 4.734 125.285 120.570 -0.031 0.000 3.343 60 I HA 0.688 4.859 4.170 0.001 0.000 0.315 60 I C -1.775 174.279 176.117 -0.104 0.000 1.153 60 I CA -0.950 60.237 61.300 -0.188 0.000 0.952 60 I CB 2.299 40.006 38.000 -0.488 0.000 1.287 60 I HN 0.629 nan 8.210 nan 0.000 0.472 61 I N 0.680 121.188 120.570 -0.104 0.000 2.692 61 I HA 0.607 4.777 4.170 0.001 0.000 0.293 61 I C -1.238 174.848 176.117 -0.052 0.000 1.200 61 I CA 0.168 61.442 61.300 -0.042 0.000 1.036 61 I CB 2.390 40.405 38.000 0.026 0.000 1.258 61 I HN 0.882 nan 8.210 nan 0.000 0.421 62 T N 4.072 118.606 114.554 -0.033 0.000 2.887 62 T HA 0.346 4.697 4.350 0.001 0.000 0.292 62 T C -0.752 173.955 174.700 0.010 0.000 1.087 62 T CA -0.701 61.384 62.100 -0.026 0.000 1.009 62 T CB 1.390 70.238 68.868 -0.033 0.000 1.203 62 T HN 0.509 nan 8.240 nan 0.000 0.518 63 N N 1.606 120.324 118.700 0.029 0.000 2.469 63 N HA 0.119 4.860 4.740 0.001 0.000 0.239 63 N C 1.390 176.977 175.510 0.129 0.000 1.053 63 N CA -0.124 52.973 53.050 0.078 0.000 0.937 63 N CB 1.010 39.553 38.487 0.092 0.000 1.163 63 N HN 0.678 nan 8.380 nan 0.000 0.509 64 S N 3.766 119.556 115.700 0.150 0.000 2.383 64 S HA -0.213 4.258 4.470 0.001 0.000 0.229 64 S C 1.827 176.636 174.600 0.348 0.000 1.030 64 S CA 0.658 58.998 58.200 0.234 0.000 1.002 64 S CB -0.583 62.737 63.200 0.201 0.000 0.829 64 S HN 0.679 nan 8.310 nan 0.000 0.467 65 Y N 2.298 122.682 120.300 0.139 0.000 2.145 65 Y HA 0.012 4.562 4.550 0.001 0.000 0.286 65 Y C 1.986 177.994 175.900 0.180 0.000 1.145 65 Y CA 1.010 59.188 58.100 0.130 0.000 1.148 65 Y CB -0.606 37.895 38.460 0.068 0.000 0.981 65 Y HN 0.270 nan 8.280 nan 0.000 0.507 66 I N -0.317 120.260 120.570 0.011 0.000 2.179 66 I HA -0.339 3.831 4.170 0.001 0.000 0.242 66 I C 2.402 178.507 176.117 -0.019 0.000 1.088 66 I CA 1.631 62.868 61.300 -0.104 0.000 1.357 66 I CB -0.429 37.571 38.000 0.001 0.000 1.051 66 I HN 0.230 nan 8.210 nan 0.000 0.409 67 I N -0.253 120.383 120.570 0.109 0.000 2.208 67 I HA -0.371 3.799 4.170 0.001 0.000 0.245 67 I C 2.619 178.863 176.117 0.211 0.000 1.097 67 I CA 1.684 63.087 61.300 0.172 0.000 1.363 67 I CB -0.486 37.663 38.000 0.250 0.000 1.051 67 I HN 0.237 nan 8.210 nan 0.000 0.413 68 Y N 1.837 122.185 120.300 0.080 0.000 2.114 68 Y HA -0.230 4.321 4.550 0.001 0.000 0.284 68 Y C 2.353 178.108 175.900 -0.242 0.000 1.143 68 Y CA 1.647 59.601 58.100 -0.243 0.000 1.135 68 Y CB -0.106 38.150 38.460 -0.340 0.000 0.980 68 Y HN -0.108 nan 8.280 nan 0.000 0.499 69 K N 0.893 121.168 120.400 -0.209 0.000 2.555 69 K HA -0.088 4.233 4.320 0.001 0.000 0.193 69 K C -0.402 176.070 176.600 -0.214 0.000 1.032 69 K CA 0.590 56.706 56.287 -0.286 0.000 1.004 69 K CB -0.574 31.704 32.500 -0.369 0.000 0.804 69 K HN 0.395 nan 8.250 nan 0.000 0.496 70 D N 0.684 120.989 120.400 -0.158 0.000 2.440 70 D HA 0.061 4.701 4.640 0.001 0.000 0.239 70 D C 0.396 176.647 176.300 -0.083 0.000 1.084 70 D CA -0.031 53.910 54.000 -0.099 0.000 0.843 70 D CB 1.058 41.825 40.800 -0.055 0.000 1.097 70 D HN -0.025 nan 8.370 nan 0.000 0.531 71 E N 2.164 122.312 120.200 -0.088 0.000 2.068 71 E HA -0.263 4.088 4.350 0.001 0.000 0.207 71 E C 1.314 177.898 176.600 -0.028 0.000 1.032 71 E CA 1.267 57.627 56.400 -0.067 0.000 0.839 71 E CB 0.238 29.905 29.700 -0.056 0.000 0.758 71 E HN 0.551 nan 8.360 nan 0.000 0.457 72 E N 0.418 120.608 120.200 -0.018 0.000 2.035 72 E HA -0.225 4.126 4.350 0.001 0.000 0.204 72 E C 2.187 178.797 176.600 0.017 0.000 1.025 72 E CA 1.305 57.705 56.400 -0.000 0.000 0.835 72 E CB -0.269 29.430 29.700 -0.002 0.000 0.764 72 E HN 0.107 nan 8.360 nan 0.000 0.457 73 L N 0.931 122.167 121.223 0.022 0.000 2.083 73 L HA -0.147 4.193 4.340 0.001 0.000 0.209 73 L C 2.552 179.478 176.870 0.093 0.000 1.083 73 L CA 1.310 56.180 54.840 0.049 0.000 0.752 73 L CB -0.884 41.205 42.059 0.050 0.000 0.899 73 L HN 0.051 nan 8.230 nan 0.000 0.433 74 R N 0.237 120.792 120.500 0.092 0.000 2.094 74 R HA -0.167 4.173 4.340 0.001 0.000 0.239 74 R C 2.442 178.832 176.300 0.149 0.000 1.137 74 R CA 1.777 57.973 56.100 0.160 0.000 0.943 74 R CB -0.245 30.054 30.300 -0.000 0.000 0.850 74 R HN 0.362 nan 8.270 nan 0.000 0.433 75 R N 0.427 120.970 120.500 0.073 0.000 2.088 75 R HA -0.109 4.231 4.340 0.001 0.000 0.232 75 R C 2.442 178.778 176.300 0.061 0.000 1.136 75 R CA 1.797 57.933 56.100 0.060 0.000 0.926 75 R CB -0.351 29.968 30.300 0.031 0.000 0.837 75 R HN 0.198 nan 8.270 nan 0.000 0.429 76 K N 0.445 120.875 120.400 0.049 0.000 2.113 76 K HA -0.161 4.159 4.320 0.001 0.000 0.208 76 K C 2.204 178.828 176.600 0.040 0.000 1.047 76 K CA 1.429 57.740 56.287 0.040 0.000 0.928 76 K CB -0.225 32.295 32.500 0.034 0.000 0.716 76 K HN 0.220 nan 8.250 nan 0.000 0.446 77 A N 1.626 124.478 122.820 0.053 0.000 1.835 77 A HA -0.142 4.179 4.320 0.001 0.000 0.215 77 A C 2.193 179.774 177.584 -0.005 0.000 1.199 77 A CA 1.259 53.306 52.037 0.017 0.000 0.615 77 A CB -0.754 18.267 19.000 0.035 0.000 0.838 77 A HN 0.141 nan 8.150 nan 0.000 0.444 78 L N -0.653 120.597 121.223 0.044 0.000 2.012 78 L HA -0.228 4.112 4.340 0.001 0.000 0.210 78 L C 2.706 179.599 176.870 0.038 0.000 1.073 78 L CA 1.859 56.728 54.840 0.048 0.000 0.748 78 L CB -0.598 41.537 42.059 0.127 0.000 0.891 78 L HN 0.559 nan 8.230 nan 0.000 0.431 79 E N 0.990 121.216 120.200 0.044 0.000 2.012 79 E HA -0.211 4.139 4.350 0.001 0.000 0.197 79 E C 1.955 178.572 176.600 0.028 0.000 1.007 79 E CA 1.912 58.333 56.400 0.035 0.000 0.816 79 E CB -0.318 29.402 29.700 0.034 0.000 0.762 79 E HN 0.444 nan 8.360 nan 0.000 0.451 80 L N -1.279 119.960 121.223 0.027 0.000 2.408 80 L HA 0.361 4.701 4.340 0.001 0.000 0.215 80 L C 0.876 177.765 176.870 0.033 0.000 1.081 80 L CA 0.079 54.937 54.840 0.029 0.000 0.840 80 L CB -0.210 41.868 42.059 0.032 0.000 1.002 80 L HN 0.342 nan 8.230 nan 0.000 0.468 81 G N 1.386 110.196 108.800 0.017 0.000 3.399 81 G HA2 -0.194 3.767 3.960 0.001 0.000 0.685 81 G HA3 -0.194 3.767 3.960 0.001 0.000 0.685 81 G C 0.483 175.392 174.900 0.015 0.000 0.952 81 G CA -0.203 44.904 45.100 0.012 0.000 0.793 81 G HN 0.230 nan 8.290 nan 0.000 0.492 82 I N 0.061 120.603 120.570 -0.047 0.000 2.210 82 I HA -0.382 3.788 4.170 0.001 0.000 0.249 82 I C 2.199 178.286 176.117 -0.050 0.000 1.047 82 I CA 2.661 63.915 61.300 -0.077 0.000 1.323 82 I CB -1.028 36.876 38.000 -0.160 0.000 1.017 82 I HN 0.728 nan 8.210 nan 0.000 0.427 83 H N 1.167 120.261 119.070 0.040 0.000 2.265 83 H HA -0.086 4.471 4.556 0.001 0.000 0.295 83 H C 2.418 177.776 175.328 0.050 0.000 1.084 83 H CA 2.163 58.245 56.048 0.057 0.000 1.261 83 H CB -0.249 29.528 29.762 0.025 0.000 1.360 83 H HN 0.342 nan 8.280 nan 0.000 0.487 84 R N 0.476 121.070 120.500 0.157 0.000 2.115 84 R HA -0.058 4.283 4.340 0.001 0.000 0.226 84 R C 2.492 178.834 176.300 0.070 0.000 1.100 84 R CA 0.529 56.685 56.100 0.093 0.000 0.980 84 R CB -0.704 29.635 30.300 0.065 0.000 0.875 84 R HN 0.417 nan 8.270 nan 0.000 0.445 85 M N 0.120 119.754 119.600 0.057 0.000 2.108 85 M HA -0.155 4.326 4.480 0.001 0.000 0.261 85 M C 0.837 177.162 176.300 0.042 0.000 1.066 85 M CA 1.658 56.981 55.300 0.039 0.000 1.107 85 M CB 0.106 32.720 32.600 0.023 0.000 1.356 85 M HN -0.015 nan 8.290 nan 0.000 0.406 86 L N 0.507 121.761 121.223 0.052 0.000 2.567 86 L HA 0.110 4.450 4.340 0.001 0.000 0.225 86 L C 0.332 177.265 176.870 0.105 0.000 1.119 86 L CA 0.774 55.649 54.840 0.059 0.000 0.871 86 L CB -0.646 41.436 42.059 0.039 0.000 1.036 86 L HN 0.420 nan 8.230 nan 0.000 0.459 87 D N -0.637 119.831 120.400 0.113 0.000 2.697 87 D HA -0.327 4.313 4.640 0.001 0.000 0.238 87 D C -0.720 175.691 176.300 0.186 0.000 1.152 87 D CA 0.628 54.697 54.000 0.115 0.000 0.666 87 D CB -1.128 39.721 40.800 0.082 0.000 1.037 87 D HN 0.279 nan 8.370 nan 0.000 0.423 88 Y N 0.428 120.764 120.300 0.060 0.000 2.406 88 Y HA 0.530 5.081 4.550 0.001 0.000 0.340 88 Y C 0.220 176.206 175.900 0.143 0.000 0.975 88 Y CA -1.077 57.065 58.100 0.071 0.000 1.056 88 Y CB 1.241 39.727 38.460 0.044 0.000 1.210 88 Y HN -0.041 nan 8.280 nan 0.000 0.448 89 N N 3.040 121.471 118.700 -0.449 0.000 2.187 89 N HA 0.160 4.901 4.740 0.001 0.000 0.212 89 N C 0.402 175.646 175.510 -0.442 0.000 1.152 89 N CA 0.343 53.205 53.050 -0.312 0.000 0.872 89 N CB 1.231 39.587 38.487 -0.218 0.000 1.025 89 N HN 0.835 nan 8.380 nan 0.000 0.514 90 G N 0.465 108.681 108.800 -0.973 0.000 2.510 90 G HA2 0.482 4.443 3.960 0.001 0.000 0.280 90 G HA3 0.482 4.443 3.960 0.001 0.000 0.280 90 G C 0.091 175.012 174.900 0.035 0.000 1.386 90 G CA -0.592 44.215 45.100 -0.489 0.000 1.047 90 G HN 0.061 nan 8.290 nan 0.000 0.527 91 I N 0.503 121.176 120.570 0.172 0.000 2.533 91 I HA 0.140 4.311 4.170 0.001 0.000 0.284 91 I C -0.191 176.109 176.117 0.304 0.000 1.109 91 I CA 0.543 61.972 61.300 0.214 0.000 1.412 91 I CB 0.561 38.632 38.000 0.118 0.000 1.396 91 I HN 0.068 nan 8.210 nan 0.000 0.543 92 I N 6.608 127.312 120.570 0.223 0.000 2.389 92 I HA 0.297 4.467 4.170 0.001 0.000 0.288 92 I C -0.014 176.115 176.117 0.020 0.000 0.999 92 I CA -0.411 60.934 61.300 0.076 0.000 1.129 92 I CB 1.675 39.590 38.000 -0.142 0.000 1.288 92 I HN 0.627 nan 8.210 nan 0.000 0.444 93 E N 5.010 125.216 120.200 0.009 0.000 2.212 93 E HA 0.685 5.035 4.350 0.001 0.000 0.270 93 E C -1.654 174.946 176.600 0.000 0.000 0.956 93 E CA -0.663 55.743 56.400 0.010 0.000 0.825 93 E CB 2.721 32.430 29.700 0.015 0.000 1.167 93 E HN 0.324 nan 8.360 nan 0.000 0.400 94 V N 2.578 122.500 119.914 0.013 0.000 2.925 94 V HA 0.301 4.421 4.120 0.001 0.000 0.311 94 V C -1.296 174.822 176.094 0.040 0.000 1.104 94 V CA -0.719 61.592 62.300 0.020 0.000 0.954 94 V CB 2.214 34.043 31.823 0.010 0.000 1.022 94 V HN 0.792 nan 8.190 nan 0.000 0.427 95 D N 1.762 122.189 120.400 0.045 0.000 2.229 95 D HA 0.360 5.001 4.640 0.001 0.000 0.249 95 D C 1.129 177.442 176.300 0.022 0.000 1.027 95 D CA 0.471 54.487 54.000 0.027 0.000 0.923 95 D CB 2.371 43.162 40.800 -0.014 0.000 1.174 95 D HN 0.620 nan 8.370 nan 0.000 0.443 96 S N 1.392 117.074 115.700 -0.030 0.000 2.387 96 S HA 0.093 4.564 4.470 0.001 0.000 0.226 96 S C 1.475 176.057 174.600 -0.030 0.000 1.026 96 S CA 0.988 59.169 58.200 -0.031 0.000 0.972 96 S CB 0.101 63.254 63.200 -0.078 0.000 0.814 96 S HN 0.844 nan 8.310 nan 0.000 0.477 97 G N -0.225 108.550 108.800 -0.041 0.000 2.234 97 G HA2 -0.155 3.806 3.960 0.001 0.000 0.153 97 G HA3 -0.155 3.806 3.960 0.001 0.000 0.153 97 G C 0.802 175.619 174.900 -0.139 0.000 1.013 97 G CA 0.289 45.360 45.100 -0.048 0.000 0.712 97 G HN 0.422 nan 8.290 nan 0.000 0.491 98 S N -0.091 115.526 115.700 -0.138 0.000 2.400 98 S HA -0.052 4.419 4.470 0.001 0.000 0.232 98 S C 1.802 176.330 174.600 -0.121 0.000 1.025 98 S CA 1.535 59.640 58.200 -0.158 0.000 0.993 98 S CB -0.289 62.787 63.200 -0.208 0.000 0.808 98 S HN 0.658 nan 8.310 nan 0.000 0.478 99 F N 2.614 122.421 119.950 -0.240 0.000 2.126 99 F HA -0.168 4.360 4.527 0.001 0.000 0.299 99 F C 2.170 177.845 175.800 -0.209 0.000 1.096 99 F CA 1.491 59.358 58.000 -0.221 0.000 1.255 99 F CB -0.597 38.287 39.000 -0.192 0.000 0.997 99 F HN 0.085 nan 8.300 nan 0.000 0.479 100 Q N 0.030 119.689 119.800 -0.235 0.000 2.226 100 Q HA -0.113 4.228 4.340 0.001 0.000 0.204 100 Q C 2.038 177.823 176.000 -0.358 0.000 0.975 100 Q CA 1.159 56.731 55.803 -0.384 0.000 0.866 100 Q CB -0.604 28.119 28.738 -0.025 0.000 0.915 100 Q HN 0.361 nan 8.270 nan 0.000 0.440 101 L N -0.573 120.508 121.223 -0.236 0.000 2.083 101 L HA -0.127 4.214 4.340 0.001 0.000 0.209 101 L C 1.979 178.741 176.870 -0.180 0.000 1.083 101 L CA 1.607 56.351 54.840 -0.160 0.000 0.752 101 L CB -0.602 41.375 42.059 -0.136 0.000 0.899 101 L HN 0.319 nan 8.230 nan 0.000 0.433 102 M N -0.310 119.133 119.600 -0.261 0.000 2.073 102 M HA -0.276 4.205 4.480 0.001 0.000 0.258 102 M C 1.969 178.121 176.300 -0.246 0.000 1.070 102 M CA 2.127 57.281 55.300 -0.244 0.000 1.103 102 M CB -0.506 31.910 32.600 -0.308 0.000 1.321 102 M HN 0.255 nan 8.290 nan 0.000 0.405 103 K N -1.243 118.914 120.400 -0.406 0.000 2.379 103 K HA -0.008 4.312 4.320 0.001 0.000 0.194 103 K C 0.898 177.479 176.600 -0.030 0.000 1.031 103 K CA 0.851 56.944 56.287 -0.323 0.000 1.037 103 K CB 0.087 32.254 32.500 -0.555 0.000 0.824 103 K HN 0.463 nan 8.250 nan 0.000 0.516 104 Y N 0.910 121.137 120.300 -0.121 0.000 2.423 104 Y HA 0.215 4.766 4.550 0.001 0.000 0.257 104 Y C 0.569 176.431 175.900 -0.063 0.000 1.087 104 Y CA -0.408 57.647 58.100 -0.074 0.000 1.258 104 Y CB 1.287 39.716 38.460 -0.052 0.000 1.237 104 Y HN 0.202 nan 8.280 nan 0.000 0.517 105 G N 2.660 111.500 108.800 0.067 0.000 2.331 105 G HA2 -0.074 3.887 3.960 0.001 0.000 0.254 105 G HA3 -0.074 3.887 3.960 0.001 0.000 0.254 105 G C -0.175 174.741 174.900 0.027 0.000 0.879 105 G CA 0.874 45.985 45.100 0.020 0.000 1.287 105 G HN 0.594 nan 8.290 nan 0.000 0.383 106 S N -0.311 115.391 115.700 0.004 0.000 2.890 106 S HA 0.193 4.664 4.470 0.001 0.000 0.846 106 S C -0.299 174.307 174.600 0.009 0.000 0.892 106 S CA 0.524 58.720 58.200 -0.007 0.000 1.448 106 S CB -0.926 62.276 63.200 0.004 0.000 1.037 106 S HN 2.257 nan 8.310 nan 0.000 0.227 107 I N -0.388 120.157 120.570 -0.041 0.000 3.102 107 I HA 0.797 4.968 4.170 0.001 0.000 0.310 107 I C -0.398 175.734 176.117 0.025 0.000 1.246 107 I CA -1.138 60.144 61.300 -0.031 0.000 0.979 107 I CB 1.968 39.704 38.000 -0.440 0.000 1.267 107 I HN 0.480 nan 8.210 nan 0.000 0.451 108 E N 2.086 122.399 120.200 0.189 0.000 2.325 108 E HA 0.533 4.884 4.350 0.001 0.000 0.295 108 E C -0.914 175.820 176.600 0.223 0.000 1.461 108 E CA 0.101 56.609 56.400 0.180 0.000 1.698 108 E CB 0.533 30.342 29.700 0.182 0.000 1.496 108 E HN 0.445 nan 8.360 nan 0.000 0.474 109 V N 0.179 120.144 119.914 0.085 0.000 3.108 109 V HA 0.451 4.572 4.120 0.001 0.000 0.287 109 V C -1.096 174.957 176.094 -0.067 0.000 1.436 109 V CA -0.605 61.711 62.300 0.026 0.000 1.001 109 V CB 2.297 34.111 31.823 -0.016 0.000 1.141 109 V HN 0.345 nan 8.190 nan 0.000 0.443 110 S N 4.040 119.699 115.700 -0.067 0.000 2.654 110 S HA 0.346 4.817 4.470 0.001 0.000 0.283 110 S C 1.032 175.588 174.600 -0.073 0.000 1.180 110 S CA 0.255 58.421 58.200 -0.058 0.000 1.021 110 S CB 1.347 64.530 63.200 -0.028 0.000 1.018 110 S HN 0.981 nan 8.310 nan 0.000 0.532 111 N N 1.231 119.903 118.700 -0.046 0.000 2.094 111 N HA -0.243 4.498 4.740 0.001 0.000 0.191 111 N C 2.003 177.498 175.510 -0.024 0.000 1.023 111 N CA 1.336 54.373 53.050 -0.021 0.000 0.857 111 N CB -0.200 38.283 38.487 -0.006 0.000 1.013 111 N HN 0.730 nan 8.380 nan 0.000 0.426 112 R N 0.829 121.314 120.500 -0.025 0.000 2.066 112 R HA -0.097 4.243 4.340 0.001 0.000 0.232 112 R C 1.925 178.209 176.300 -0.026 0.000 1.131 112 R CA 1.418 57.508 56.100 -0.015 0.000 0.955 112 R CB -0.030 30.268 30.300 -0.003 0.000 0.851 112 R HN 0.388 nan 8.270 nan 0.000 0.432 113 E N 0.586 120.756 120.200 -0.050 0.000 2.023 113 E HA -0.239 4.112 4.350 0.001 0.000 0.196 113 E C 2.083 178.596 176.600 -0.145 0.000 1.003 113 E CA 2.049 58.399 56.400 -0.084 0.000 0.809 113 E CB -0.396 29.230 29.700 -0.124 0.000 0.755 113 E HN 0.490 nan 8.360 nan 0.000 0.449 114 I N -0.124 120.315 120.570 -0.219 0.000 2.208 114 I HA -0.259 3.912 4.170 0.001 0.000 0.245 114 I C 2.500 178.596 176.117 -0.034 0.000 1.097 114 I CA 1.324 62.530 61.300 -0.157 0.000 1.363 114 I CB -0.608 37.319 38.000 -0.122 0.000 1.051 114 I HN 0.026 nan 8.210 nan 0.000 0.413 115 I N 1.315 121.841 120.570 -0.073 0.000 2.194 115 I HA -0.284 3.887 4.170 0.001 0.000 0.246 115 I C 2.642 178.552 176.117 -0.346 0.000 1.093 115 I CA 1.884 63.082 61.300 -0.172 0.000 1.355 115 I CB -0.445 37.492 38.000 -0.105 0.000 1.046 115 I HN 0.350 nan 8.210 nan 0.000 0.413 116 E N -0.069 120.065 120.200 -0.110 0.000 2.208 116 E HA -0.201 4.150 4.350 0.001 0.000 0.193 116 E C 1.993 178.675 176.600 0.136 0.000 0.988 116 E CA 0.866 57.287 56.400 0.035 0.000 0.828 116 E CB -0.098 29.675 29.700 0.122 0.000 0.763 116 E HN 0.381 nan 8.360 nan 0.000 0.478 117 F N 2.349 122.275 119.950 -0.039 0.000 2.146 117 F HA -0.154 4.374 4.527 0.001 0.000 0.298 117 F C 2.075 177.895 175.800 0.033 0.000 1.096 117 F CA 1.533 59.552 58.000 0.031 0.000 1.275 117 F CB -0.125 38.880 39.000 0.009 0.000 1.008 117 F HN -0.094 nan 8.300 nan 0.000 0.480 118 Q N -1.050 118.732 119.800 -0.030 0.000 2.181 118 Q HA -0.238 4.103 4.340 0.001 0.000 0.205 118 Q C 1.990 177.971 176.000 -0.032 0.000 0.980 118 Q CA 2.016 57.756 55.803 -0.106 0.000 0.862 118 Q CB -0.612 28.084 28.738 -0.069 0.000 0.905 118 Q HN 0.641 nan 8.270 nan 0.000 0.429 119 H N 0.133 119.198 119.070 -0.008 0.000 2.357 119 H HA -0.004 4.553 4.556 0.001 0.000 0.301 119 H C 2.181 177.494 175.328 -0.026 0.000 1.082 119 H CA 0.686 56.734 56.048 0.000 0.000 1.342 119 H CB 0.226 30.006 29.762 0.030 0.000 1.389 119 H HN 0.124 nan 8.280 nan 0.000 0.511 120 R N 0.821 121.372 120.500 0.084 0.000 2.115 120 R HA -0.052 4.289 4.340 0.001 0.000 0.230 120 R C 2.078 178.331 176.300 -0.078 0.000 1.111 120 R CA 1.315 57.424 56.100 0.015 0.000 0.976 120 R CB -0.109 30.222 30.300 0.052 0.000 0.870 120 R HN 0.481 nan 8.270 nan 0.000 0.445 121 I N -2.576 117.869 120.570 -0.207 0.000 3.735 121 I HA 0.326 4.497 4.170 0.001 0.000 0.310 121 I C 0.621 176.692 176.117 -0.076 0.000 1.270 121 I CA 0.454 61.634 61.300 -0.200 0.000 1.207 121 I CB 0.096 37.872 38.000 -0.374 0.000 1.013 121 I HN 0.193 nan 8.210 nan 0.000 0.452 122 G N 1.704 110.497 108.800 -0.012 0.000 2.160 122 G HA2 -0.237 3.723 3.960 0.001 0.000 0.251 122 G HA3 -0.237 3.723 3.960 0.001 0.000 0.251 122 G C 0.206 175.153 174.900 0.078 0.000 1.008 122 G CA 0.237 45.374 45.100 0.062 0.000 0.724 122 G HN 0.333 nan 8.290 nan 0.000 0.514 123 V N 0.699 120.621 119.914 0.013 0.000 2.694 123 V HA 0.053 4.174 4.120 0.001 0.000 0.306 123 V C 1.595 177.734 176.094 0.075 0.000 1.054 123 V CA 0.936 63.236 62.300 0.000 0.000 1.161 123 V CB 0.967 32.784 31.823 -0.011 0.000 0.916 123 V HN 0.412 nan 8.190 nan 0.000 0.490 124 D N 3.812 124.268 120.400 0.092 0.000 2.162 124 D HA 0.109 4.750 4.640 0.001 0.000 0.203 124 D C 0.343 176.686 176.300 0.072 0.000 0.967 124 D CA 1.405 55.474 54.000 0.115 0.000 0.840 124 D CB 0.441 41.328 40.800 0.145 0.000 0.972 124 D HN 0.430 nan 8.370 nan 0.000 0.482 125 I N 0.155 120.757 120.570 0.053 0.000 2.571 125 I HA 0.354 4.525 4.170 0.001 0.000 0.289 125 I C 0.353 176.493 176.117 0.039 0.000 1.115 125 I CA -0.776 60.548 61.300 0.042 0.000 1.045 125 I CB 2.487 40.496 38.000 0.015 0.000 1.238 125 I HN -0.209 nan 8.210 nan 0.000 0.424 126 G N 3.286 112.121 108.800 0.059 0.000 2.552 126 G HA2 0.828 4.788 3.960 0.001 0.000 0.318 126 G HA3 0.828 4.788 3.960 0.001 0.000 0.318 126 G C -0.935 173.987 174.900 0.037 0.000 1.240 126 G CA -0.372 44.757 45.100 0.047 0.000 1.002 126 G HN 0.444 nan 8.290 nan 0.000 0.493 127 T N -0.021 114.545 114.554 0.020 0.000 2.956 127 T HA 0.492 4.843 4.350 0.001 0.000 0.312 127 T C -0.782 173.912 174.700 -0.010 0.000 1.151 127 T CA -0.332 61.736 62.100 -0.054 0.000 1.024 127 T CB 1.305 70.132 68.868 -0.069 0.000 1.140 127 T HN 0.545 nan 8.240 nan 0.000 0.473 128 F N 0.385 120.320 119.950 -0.025 0.000 2.403 128 F HA 0.710 5.238 4.527 0.001 0.000 0.326 128 F C 0.196 175.956 175.800 -0.067 0.000 1.099 128 F CA -1.669 56.308 58.000 -0.040 0.000 1.036 128 F CB 0.372 39.361 39.000 -0.017 0.000 1.336 128 F HN 0.338 nan 8.300 nan 0.000 0.497 129 L N 2.107 123.486 121.223 0.260 0.000 2.416 129 L HA 0.137 4.477 4.340 0.001 0.000 0.243 129 L C -0.642 176.302 176.870 0.124 0.000 1.373 129 L CA -0.310 54.580 54.840 0.084 0.000 1.227 129 L CB -1.683 40.387 42.059 0.018 0.000 1.428 129 L HN 0.702 nan 8.230 nan 0.000 0.425 130 D N 0.808 121.201 120.400 -0.011 0.000 2.372 130 D HA 0.235 4.875 4.640 0.001 0.000 0.243 130 D C 0.013 176.285 176.300 -0.047 0.000 1.121 130 D CA -0.307 53.694 54.000 0.000 0.000 0.898 130 D CB 1.137 41.819 40.800 -0.195 0.000 1.202 130 D HN 0.162 nan 8.370 nan 0.000 0.428 131 I N 1.848 122.409 120.570 -0.014 0.000 2.297 131 I HA 0.197 4.368 4.170 0.001 0.000 0.291 131 I C -2.075 174.017 176.117 -0.042 0.000 1.033 131 I CA -2.214 59.065 61.300 -0.035 0.000 1.253 131 I CB 1.385 39.378 38.000 -0.012 0.000 1.396 131 I HN 0.221 nan 8.210 nan 0.000 0.476 132 P HA 0.064 nan 4.420 nan 0.000 0.241 132 P C -0.394 176.889 177.300 -0.029 0.000 1.760 132 P CA -0.207 62.859 63.100 -0.057 0.000 1.081 132 P CB -0.318 31.330 31.700 -0.087 0.000 1.975 133 T N 4.063 118.614 114.554 -0.004 0.000 2.905 133 T HA 0.049 4.399 4.350 0.001 0.000 0.299 133 T C -1.975 172.735 174.700 0.017 0.000 1.024 133 T CA -0.540 61.569 62.100 0.015 0.000 1.151 133 T CB -0.501 68.394 68.868 0.046 0.000 0.987 133 T HN 0.177 nan 8.240 nan 0.000 0.535 134 P HA 0.133 nan 4.420 nan 0.000 0.270 134 P C -1.734 175.578 177.300 0.020 0.000 1.223 134 P CA -1.418 61.688 63.100 0.011 0.000 0.785 134 P CB -0.012 31.692 31.700 0.005 0.000 0.923 135 P HA -0.212 nan 4.420 nan 0.000 0.218 135 P C -0.010 177.274 177.300 -0.027 0.000 1.165 135 P CA 1.843 64.938 63.100 -0.008 0.000 0.922 135 P CB -0.088 31.605 31.700 -0.011 0.000 0.794 136 D N -1.681 118.710 120.400 -0.017 0.000 2.892 136 D HA 0.317 4.957 4.640 0.001 0.000 0.291 136 D C 0.132 176.451 176.300 0.032 0.000 1.341 136 D CA -0.198 53.783 54.000 -0.031 0.000 0.844 136 D CB 0.251 41.028 40.800 -0.038 0.000 1.093 136 D HN 0.099 nan 8.370 nan 0.000 0.480 137 A N 1.699 124.566 122.820 0.079 0.000 2.448 137 A HA 0.359 4.680 4.320 0.001 0.000 0.239 137 A C -2.153 175.545 177.584 0.189 0.000 1.080 137 A CA -0.665 51.438 52.037 0.111 0.000 0.779 137 A CB -0.100 18.962 19.000 0.103 0.000 1.026 137 A HN -0.021 nan 8.150 nan 0.000 0.499 138 P HA 0.158 nan 4.420 nan 0.000 0.269 138 P C 0.801 178.159 177.300 0.096 0.000 1.215 138 P CA -0.226 62.950 63.100 0.125 0.000 0.780 138 P CB 0.484 32.218 31.700 0.057 0.000 0.898 139 R N 1.958 122.464 120.500 0.009 0.000 2.105 139 R HA -0.201 4.140 4.340 0.001 0.000 0.239 139 R C 1.658 177.826 176.300 -0.221 0.000 1.135 139 R CA 1.714 57.601 56.100 -0.356 0.000 0.967 139 R CB -0.218 29.823 30.300 -0.431 0.000 0.861 139 R HN 0.544 nan 8.270 nan 0.000 0.442 140 E N -0.227 119.910 120.200 -0.105 0.000 2.160 140 E HA -0.287 4.064 4.350 0.001 0.000 0.195 140 E C 1.939 178.508 176.600 -0.051 0.000 0.991 140 E CA 1.303 57.659 56.400 -0.073 0.000 0.810 140 E CB -0.042 29.634 29.700 -0.041 0.000 0.742 140 E HN 0.501 nan 8.360 nan 0.000 0.466 141 Q N 0.299 120.083 119.800 -0.027 0.000 2.096 141 Q HA -0.067 4.274 4.340 0.001 0.000 0.197 141 Q C 2.157 178.158 176.000 0.001 0.000 0.964 141 Q CA 0.947 56.748 55.803 -0.003 0.000 0.838 141 Q CB -0.019 28.730 28.738 0.018 0.000 0.906 141 Q HN 0.207 nan 8.270 nan 0.000 0.444 142 A N 0.125 122.944 122.820 -0.002 0.000 1.933 142 A HA -0.133 4.187 4.320 0.001 0.000 0.218 142 A C 2.145 179.719 177.584 -0.016 0.000 1.175 142 A CA 1.567 53.617 52.037 0.022 0.000 0.628 142 A CB -0.629 18.395 19.000 0.040 0.000 0.814 142 A HN 0.298 nan 8.150 nan 0.000 0.444 143 V N 0.201 120.070 119.914 -0.074 0.000 2.323 143 V HA -0.218 3.903 4.120 0.001 0.000 0.244 143 V C 2.499 178.588 176.094 -0.009 0.000 1.041 143 V CA 2.156 64.426 62.300 -0.051 0.000 1.025 143 V CB -0.637 31.127 31.823 -0.098 0.000 0.656 143 V HN 0.654 nan 8.190 nan 0.000 0.451 144 K N 0.519 120.910 120.400 -0.016 0.000 1.987 144 K HA -0.280 4.040 4.320 0.001 0.000 0.216 144 K C 2.130 178.736 176.600 0.011 0.000 1.051 144 K CA 2.423 58.708 56.287 -0.003 0.000 0.942 144 K CB -0.297 32.199 32.500 -0.007 0.000 0.722 144 K HN 0.563 nan 8.250 nan 0.000 0.444 145 E N 0.550 120.757 120.200 0.012 0.000 2.118 145 E HA -0.221 4.129 4.350 0.001 0.000 0.195 145 E C 2.015 178.633 176.600 0.030 0.000 0.992 145 E CA 1.108 57.518 56.400 0.017 0.000 0.804 145 E CB -0.149 29.559 29.700 0.014 0.000 0.741 145 E HN 0.218 nan 8.360 nan 0.000 0.458 146 L N 1.478 122.726 121.223 0.043 0.000 2.056 146 L HA -0.162 4.179 4.340 0.001 0.000 0.207 146 L C 1.989 178.897 176.870 0.065 0.000 1.078 146 L CA 1.786 56.663 54.840 0.061 0.000 0.749 146 L CB -0.228 41.888 42.059 0.096 0.000 0.901 146 L HN -0.051 nan 8.230 nan 0.000 0.433 147 E N -0.064 120.178 120.200 0.070 0.000 2.110 147 E HA -0.191 4.160 4.350 0.001 0.000 0.193 147 E C 2.334 178.954 176.600 0.032 0.000 0.988 147 E CA 1.686 58.124 56.400 0.065 0.000 0.804 147 E CB -0.304 29.429 29.700 0.056 0.000 0.745 147 E HN 0.596 nan 8.360 nan 0.000 0.458 148 I N 0.781 121.366 120.570 0.024 0.000 2.226 148 I HA -0.243 3.928 4.170 0.001 0.000 0.245 148 I C 2.398 178.525 176.117 0.017 0.000 1.100 148 I CA 1.201 62.509 61.300 0.013 0.000 1.374 148 I CB -0.507 37.499 38.000 0.010 0.000 1.057 148 I HN 0.052 nan 8.210 nan 0.000 0.413 149 T N 1.522 116.100 114.554 0.040 0.000 2.652 149 T HA -0.155 4.196 4.350 0.001 0.000 0.267 149 T C 1.945 176.670 174.700 0.041 0.000 1.039 149 T CA 1.426 63.578 62.100 0.086 0.000 1.153 149 T CB -0.352 68.577 68.868 0.101 0.000 0.863 149 T HN 0.244 nan 8.240 nan 0.000 0.428 150 L N 1.482 122.709 121.223 0.005 0.000 2.131 150 L HA -0.118 4.223 4.340 0.001 0.000 0.210 150 L C 2.865 179.687 176.870 -0.080 0.000 1.092 150 L CA 1.408 56.220 54.840 -0.047 0.000 0.759 150 L CB -0.753 41.282 42.059 -0.039 0.000 0.903 150 L HN 0.401 nan 8.230 nan 0.000 0.435 151 S N -0.159 115.509 115.700 -0.054 0.000 2.383 151 S HA -0.152 4.318 4.470 0.001 0.000 0.227 151 S C 2.018 176.549 174.600 -0.115 0.000 1.026 151 S CA 0.547 58.711 58.200 -0.060 0.000 0.981 151 S CB -0.311 62.870 63.200 -0.031 0.000 0.818 151 S HN 0.404 nan 8.310 nan 0.000 0.472 152 R N 1.331 121.742 120.500 -0.148 0.000 2.148 152 R HA 0.219 4.560 4.340 0.001 0.000 0.223 152 R C 2.624 178.570 176.300 -0.590 0.000 1.088 152 R CA 0.960 56.920 56.100 -0.234 0.000 0.985 152 R CB -0.576 29.664 30.300 -0.100 0.000 0.880 152 R HN 0.569 nan 8.270 nan 0.000 0.451 153 A N 1.388 123.789 122.820 -0.698 0.000 1.897 153 A HA -0.118 4.203 4.320 0.001 0.000 0.215 153 A C 2.041 179.485 177.584 -0.233 0.000 1.181 153 A CA 0.924 52.425 52.037 -0.894 0.000 0.620 153 A CB -0.236 18.496 19.000 -0.447 0.000 0.821 153 A HN 0.167 nan 8.150 nan 0.000 0.443 154 R N -0.588 119.827 120.500 -0.142 0.000 2.081 154 R HA -0.147 4.194 4.340 0.001 0.000 0.235 154 R C 2.271 178.529 176.300 -0.069 0.000 1.131 154 R CA 1.510 57.576 56.100 -0.058 0.000 0.960 154 R CB -0.291 29.982 30.300 -0.045 0.000 0.856 154 R HN 0.798 nan 8.270 nan 0.000 0.436 155 E N 0.727 120.866 120.200 -0.101 0.000 2.072 155 E HA -0.155 4.195 4.350 0.001 0.000 0.191 155 E C 1.898 178.465 176.600 -0.056 0.000 0.985 155 E CA 1.079 57.436 56.400 -0.070 0.000 0.801 155 E CB 0.001 29.660 29.700 -0.069 0.000 0.750 155 E HN 0.341 nan 8.360 nan 0.000 0.452 156 A N 1.203 123.968 122.820 -0.091 0.000 1.930 156 A HA -0.220 4.101 4.320 0.001 0.000 0.217 156 A C 2.070 179.672 177.584 0.030 0.000 1.175 156 A CA 1.580 53.623 52.037 0.009 0.000 0.627 156 A CB -0.556 18.448 19.000 0.007 0.000 0.815 156 A HN 0.476 nan 8.150 nan 0.000 0.443 157 E N 0.047 120.224 120.200 -0.038 0.000 2.150 157 E HA -0.215 4.136 4.350 0.001 0.000 0.193 157 E C 1.778 178.294 176.600 -0.141 0.000 0.985 157 E CA 1.278 57.527 56.400 -0.252 0.000 0.814 157 E CB -0.118 29.416 29.700 -0.276 0.000 0.752 157 E HN 0.762 nan 8.360 nan 0.000 0.466 158 E N 0.704 120.860 120.200 -0.072 0.000 2.015 158 E HA -0.170 4.181 4.350 0.001 0.000 0.191 158 E C 2.341 178.929 176.600 -0.020 0.000 0.991 158 E CA 1.678 58.051 56.400 -0.046 0.000 0.802 158 E CB -0.273 29.409 29.700 -0.029 0.000 0.759 158 E HN 0.542 nan 8.360 nan 0.000 0.447 159 I N -0.611 119.967 120.570 0.013 0.000 3.226 159 I HA 0.100 4.271 4.170 0.001 0.000 0.277 159 I C 0.960 177.155 176.117 0.131 0.000 1.243 159 I CA -0.195 61.142 61.300 0.062 0.000 1.459 159 I CB -0.120 37.930 38.000 0.084 0.000 1.093 159 I HN -0.170 nan 8.210 nan 0.000 0.453 160 K N 2.850 123.321 120.400 0.117 0.000 2.543 160 K HA -0.109 4.211 4.320 0.001 0.000 0.279 160 K C -0.013 176.626 176.600 0.065 0.000 1.001 160 K CA 0.917 57.314 56.287 0.184 0.000 1.088 160 K CB 0.384 32.917 32.500 0.055 0.000 0.863 160 K HN 0.272 nan 8.250 nan 0.000 0.488 161 E N 4.496 124.672 120.200 -0.039 0.000 3.254 161 E HA 0.288 4.638 4.350 0.001 0.000 0.184 161 E C -0.686 175.761 176.600 -0.255 0.000 0.967 161 E CA -0.105 56.095 56.400 -0.334 0.000 1.311 161 E CB 0.168 29.490 29.700 -0.631 0.000 1.071 161 E HN 0.552 nan 8.360 nan 0.000 0.456 162 I N 0.263 120.860 120.570 0.045 0.000 2.882 162 I HA 0.225 4.396 4.170 0.001 0.000 0.298 162 I C -2.743 173.449 176.117 0.124 0.000 1.462 162 I CA -2.280 59.087 61.300 0.113 0.000 1.000 162 I CB 3.064 41.229 38.000 0.276 0.000 1.340 162 I HN -0.241 nan 8.210 nan 0.000 0.462 163 P HA 0.289 nan 4.420 nan 0.000 0.269 163 P C -1.123 176.246 177.300 0.115 0.000 1.209 163 P CA 0.131 63.274 63.100 0.072 0.000 0.776 163 P CB 0.484 32.204 31.700 0.034 0.000 0.876 164 M N 1.673 121.370 119.600 0.163 0.000 2.575 164 M HA 0.293 4.774 4.480 0.001 0.000 0.284 164 M C -0.446 175.924 176.300 0.116 0.000 1.253 164 M CA -0.574 54.846 55.300 0.199 0.000 0.861 164 M CB 2.548 35.384 32.600 0.393 0.000 1.733 164 M HN 0.184 nan 8.290 nan 0.000 0.462 165 N N 0.738 119.422 118.700 -0.027 0.000 2.444 165 N HA 0.486 5.227 4.740 0.001 0.000 0.271 165 N C -0.884 174.418 175.510 -0.347 0.000 1.069 165 N CA -0.268 52.670 53.050 -0.186 0.000 0.965 165 N CB 1.233 39.591 38.487 -0.215 0.000 1.092 165 N HN 0.619 nan 8.380 nan 0.000 0.476 166 A N 2.370 124.979 122.820 -0.352 0.000 2.511 166 A HA 0.254 4.574 4.320 0.001 0.000 0.340 166 A C -0.070 177.409 177.584 -0.174 0.000 1.396 166 A CA -0.712 51.063 52.037 -0.438 0.000 0.887 166 A CB -0.018 18.627 19.000 -0.593 0.000 1.145 166 A HN 0.528 nan 8.150 nan 0.000 0.497 167 T N 3.038 117.397 114.554 -0.325 0.000 2.799 167 T HA 0.246 4.596 4.350 0.001 0.000 0.296 167 T C 0.387 175.035 174.700 -0.086 0.000 0.947 167 T CA 0.307 62.317 62.100 -0.150 0.000 1.141 167 T CB -0.176 68.615 68.868 -0.128 0.000 0.891 167 T HN 0.357 nan 8.240 nan 0.000 0.533 168 I N 3.764 124.296 120.570 -0.064 0.000 2.533 168 I HA 0.148 4.319 4.170 0.001 0.000 0.284 168 I C 0.720 176.821 176.117 -0.028 0.000 1.109 168 I CA 0.415 61.675 61.300 -0.066 0.000 1.412 168 I CB 0.716 38.666 38.000 -0.084 0.000 1.396 168 I HN 0.530 nan 8.210 nan 0.000 0.543 169 Q N 4.489 124.281 119.800 -0.014 0.000 3.048 169 Q HA 0.427 4.767 4.340 0.001 0.000 0.337 169 Q C 0.371 176.396 176.000 0.043 0.000 0.845 169 Q CA -0.055 55.754 55.803 0.010 0.000 0.942 169 Q CB 0.958 29.697 28.738 0.002 0.000 1.454 169 Q HN 0.750 nan 8.270 nan 0.000 0.392 170 G N -0.231 108.607 108.800 0.063 0.000 3.820 170 G HA2 0.356 4.316 3.960 0.001 0.000 0.293 170 G HA3 0.356 4.316 3.960 0.001 0.000 0.293 170 G C 0.354 175.356 174.900 0.171 0.000 1.152 170 G CA 0.499 45.668 45.100 0.116 0.000 0.921 170 G HN 0.547 nan 8.290 nan 0.000 0.544 171 S N -0.393 115.380 115.700 0.121 0.000 3.762 171 S HA -0.316 4.154 4.470 0.001 0.000 0.627 171 S C 1.610 176.247 174.600 0.062 0.000 2.389 171 S CA 2.435 60.705 58.200 0.117 0.000 3.978 171 S CB -1.390 61.944 63.200 0.224 0.000 0.234 171 S HN 1.190 nan 8.310 nan 0.000 0.960 172 T N -0.628 113.900 114.554 -0.043 0.000 3.251 172 T HA 0.467 4.817 4.350 0.001 0.000 0.259 172 T C -0.142 174.383 174.700 -0.292 0.000 0.998 172 T CA 0.049 62.048 62.100 -0.169 0.000 0.905 172 T CB -0.537 68.195 68.868 -0.227 0.000 1.067 172 T HN 0.471 nan 8.240 nan 0.000 0.569 173 Y N 2.449 122.763 120.300 0.023 0.000 2.504 173 Y HA 0.333 4.884 4.550 0.001 0.000 0.339 173 Y C 2.015 177.931 175.900 0.027 0.000 0.974 173 Y CA -1.052 57.063 58.100 0.024 0.000 1.232 173 Y CB 0.780 39.254 38.460 0.023 0.000 1.108 173 Y HN 0.272 nan 8.280 nan 0.000 0.509 174 T N -2.526 112.094 114.554 0.110 0.000 2.778 174 T HA -0.290 4.061 4.350 0.001 0.000 0.269 174 T C 1.508 176.267 174.700 0.097 0.000 1.050 174 T CA 1.867 64.013 62.100 0.078 0.000 1.137 174 T CB -0.093 68.807 68.868 0.052 0.000 0.860 174 T HN 0.757 nan 8.240 nan 0.000 0.468 175 D N 1.423 121.898 120.400 0.125 0.000 2.178 175 D HA -0.090 4.550 4.640 0.001 0.000 0.202 175 D C 2.163 178.539 176.300 0.126 0.000 0.974 175 D CA 0.676 54.739 54.000 0.104 0.000 0.841 175 D CB -0.424 40.425 40.800 0.081 0.000 0.953 175 D HN 0.445 nan 8.370 nan 0.000 0.478 176 L N -0.170 121.146 121.223 0.154 0.000 2.156 176 L HA -0.018 4.322 4.340 0.001 0.000 0.208 176 L C 2.932 179.906 176.870 0.173 0.000 1.095 176 L CA 0.433 55.380 54.840 0.177 0.000 0.770 176 L CB -0.224 41.929 42.059 0.156 0.000 0.914 176 L HN -0.073 nan 8.230 nan 0.000 0.439 177 R N 0.004 120.577 120.500 0.122 0.000 2.075 177 R HA -0.139 4.202 4.340 0.001 0.000 0.232 177 R C 2.221 178.546 176.300 0.041 0.000 1.126 177 R CA 1.092 57.228 56.100 0.061 0.000 0.963 177 R CB -0.577 29.743 30.300 0.032 0.000 0.858 177 R HN 0.337 nan 8.270 nan 0.000 0.435 178 R N -0.090 120.449 120.500 0.066 0.000 2.082 178 R HA -0.224 4.116 4.340 0.001 0.000 0.234 178 R C 2.339 178.691 176.300 0.086 0.000 1.136 178 R CA 1.953 58.089 56.100 0.059 0.000 0.935 178 R CB -0.567 29.778 30.300 0.076 0.000 0.842 178 R HN 0.194 nan 8.270 nan 0.000 0.430 179 Y N 0.764 121.064 120.300 0.000 0.000 2.081 179 Y HA -0.252 4.298 4.550 0.001 0.000 0.280 179 Y C 2.069 177.963 175.900 -0.010 0.000 1.163 179 Y CA 1.646 59.745 58.100 -0.001 0.000 1.135 179 Y CB -0.852 37.609 38.460 0.001 0.000 0.970 179 Y HN 0.205 nan 8.280 nan 0.000 0.498 180 A N 0.721 123.442 122.820 -0.164 0.000 1.948 180 A HA -0.178 4.143 4.320 0.001 0.000 0.220 180 A C 2.456 179.900 177.584 -0.233 0.000 1.177 180 A CA 2.413 54.287 52.037 -0.272 0.000 0.636 180 A CB -1.571 17.377 19.000 -0.086 0.000 0.815 180 A HN 0.708 nan 8.150 nan 0.000 0.449 181 A N -0.561 122.164 122.820 -0.160 0.000 1.872 181 A HA -0.086 4.235 4.320 0.001 0.000 0.214 181 A C 2.224 179.701 177.584 -0.177 0.000 1.187 181 A CA 1.263 53.185 52.037 -0.192 0.000 0.614 181 A CB -0.465 18.453 19.000 -0.137 0.000 0.826 181 A HN 0.527 nan 8.150 nan 0.000 0.442 182 R N -0.740 119.694 120.500 -0.110 0.000 2.115 182 R HA -0.160 4.181 4.340 0.001 0.000 0.239 182 R C 2.466 178.713 176.300 -0.088 0.000 1.133 182 R CA 1.689 57.751 56.100 -0.063 0.000 0.935 182 R CB -0.405 29.896 30.300 0.002 0.000 0.853 182 R HN 0.346 nan 8.270 nan 0.000 0.433 183 R N 0.448 120.843 120.500 -0.176 0.000 2.080 183 R HA -0.123 4.217 4.340 0.001 0.000 0.236 183 R C 2.256 178.516 176.300 -0.067 0.000 1.137 183 R CA 1.206 57.211 56.100 -0.159 0.000 0.943 183 R CB -0.822 29.275 30.300 -0.338 0.000 0.846 183 R HN 0.187 nan 8.270 nan 0.000 0.431 184 L N 0.745 121.909 121.223 -0.098 0.000 2.131 184 L HA -0.062 4.278 4.340 0.001 0.000 0.210 184 L C 2.345 179.286 176.870 0.117 0.000 1.092 184 L CA 1.450 56.301 54.840 0.019 0.000 0.759 184 L CB -1.234 40.764 42.059 -0.101 0.000 0.903 184 L HN 0.089 nan 8.230 nan 0.000 0.435 185 S N -0.310 115.364 115.700 -0.043 0.000 2.368 185 S HA -0.149 4.322 4.470 0.001 0.000 0.225 185 S C 2.087 176.753 174.600 0.110 0.000 1.030 185 S CA 1.402 59.636 58.200 0.056 0.000 0.999 185 S CB -0.159 63.026 63.200 -0.025 0.000 0.844 185 S HN 0.675 nan 8.310 nan 0.000 0.459 186 S N 0.620 116.359 115.700 0.065 0.000 2.447 186 S HA 0.095 4.566 4.470 0.001 0.000 0.233 186 S C 0.771 175.416 174.600 0.075 0.000 1.006 186 S CA 0.386 58.621 58.200 0.058 0.000 0.957 186 S CB -0.382 62.839 63.200 0.034 0.000 0.773 186 S HN 0.328 nan 8.310 nan 0.000 0.507 187 M N 1.878 121.562 119.600 0.139 0.000 2.267 187 M HA 0.236 4.717 4.480 0.001 0.000 0.303 187 M C 0.484 176.839 176.300 0.092 0.000 1.164 187 M CA -0.299 55.083 55.300 0.137 0.000 1.060 187 M CB 0.419 33.199 32.600 0.299 0.000 1.455 187 M HN 0.176 nan 8.290 nan 0.000 0.483 188 N N 1.257 119.866 118.700 -0.151 0.000 2.663 188 N HA 0.306 5.047 4.740 0.001 0.000 0.250 188 N C -1.999 173.208 175.510 -0.506 0.000 1.129 188 N CA 0.027 52.933 53.050 -0.240 0.000 0.995 188 N CB 0.225 38.569 38.487 -0.239 0.000 1.324 188 N HN 0.314 nan 8.380 nan 0.000 0.512 189 F N 0.257 120.210 119.950 0.005 0.000 2.629 189 F HA 0.292 4.820 4.527 0.001 0.000 0.316 189 F C 1.099 176.809 175.800 -0.149 0.000 1.081 189 F CA -0.771 57.201 58.000 -0.047 0.000 0.954 189 F CB 1.627 40.614 39.000 -0.022 0.000 1.337 189 F HN 0.251 nan 8.300 nan 0.000 0.474 190 E N 0.638 120.849 120.200 0.018 0.000 2.447 190 E HA 0.282 4.633 4.350 0.001 0.000 0.204 190 E C 0.002 176.457 176.600 -0.242 0.000 0.977 190 E CA 0.663 57.004 56.400 -0.099 0.000 0.950 190 E CB 1.301 30.972 29.700 -0.048 0.000 0.975 190 E HN 0.474 nan 8.360 nan 0.000 0.496 191 I N 1.435 121.812 120.570 -0.322 0.000 2.686 191 I HA 0.275 4.445 4.170 0.001 0.000 0.295 191 I C -0.840 174.981 176.117 -0.494 0.000 1.114 191 I CA -0.894 60.181 61.300 -0.376 0.000 1.038 191 I CB 2.149 39.994 38.000 -0.257 0.000 1.238 191 I HN -0.076 nan 8.210 nan 0.000 0.420 192 H N 4.433 123.397 119.070 -0.176 0.000 2.736 192 H HA 0.368 4.925 4.556 0.001 0.000 0.271 192 H C -2.594 172.608 175.328 -0.210 0.000 1.184 192 H CA -2.027 53.915 56.048 -0.177 0.000 1.378 192 H CB 1.169 30.853 29.762 -0.130 0.000 1.428 192 H HN 0.144 nan 8.280 nan 0.000 0.500 193 P HA 0.193 nan 4.420 nan 0.000 0.274 193 P C 0.084 177.326 177.300 -0.097 0.000 1.246 193 P CA -0.262 62.666 63.100 -0.286 0.000 0.795 193 P CB 1.400 32.715 31.700 -0.642 0.000 1.006 194 I N 0.779 121.318 120.570 -0.052 0.000 2.411 194 I HA 0.451 4.621 4.170 0.001 0.000 0.284 194 I C 0.734 176.900 176.117 0.081 0.000 1.012 194 I CA -0.176 61.125 61.300 0.002 0.000 1.119 194 I CB 1.500 39.490 38.000 -0.016 0.000 1.261 194 I HN 0.365 nan 8.210 nan 0.000 0.448 195 G N 2.644 111.492 108.800 0.079 0.000 2.705 195 G HA2 0.559 4.520 3.960 0.001 0.000 0.299 195 G HA3 0.559 4.520 3.960 0.001 0.000 0.299 195 G C 0.690 175.614 174.900 0.039 0.000 1.315 195 G CA -0.228 44.920 45.100 0.081 0.000 1.045 195 G HN 0.915 nan 8.290 nan 0.000 0.517 196 G N -2.407 106.403 108.800 0.017 0.000 2.162 196 G HA2 -0.176 3.785 3.960 0.001 0.000 0.260 196 G HA3 -0.176 3.785 3.960 0.001 0.000 0.260 196 G C 1.088 176.010 174.900 0.037 0.000 0.976 196 G CA 1.236 46.346 45.100 0.018 0.000 0.655 196 G HN 1.845 nan 8.290 nan 0.000 0.533 197 V N -2.469 117.481 119.914 0.061 0.000 3.506 197 V HA 0.275 4.395 4.120 0.001 0.000 0.263 197 V C 2.396 178.542 176.094 0.087 0.000 1.203 197 V CA 1.232 63.578 62.300 0.076 0.000 1.133 197 V CB 0.008 31.892 31.823 0.102 0.000 0.802 197 V HN 0.243 nan 8.190 nan 0.000 0.459 198 V N 1.243 121.213 119.914 0.094 0.000 2.282 198 V HA -0.155 3.966 4.120 0.001 0.000 0.249 198 V C 0.486 176.632 176.094 0.087 0.000 1.057 198 V CA 3.109 65.475 62.300 0.110 0.000 1.032 198 V CB -1.737 30.167 31.823 0.135 0.000 0.645 198 V HN 0.511 nan 8.190 nan 0.000 0.447 199 P HA -0.119 nan 4.420 nan 0.000 0.218 199 P C 1.825 179.136 177.300 0.019 0.000 1.148 199 P CA 1.347 64.468 63.100 0.036 0.000 0.822 199 P CB -0.037 31.674 31.700 0.018 0.000 0.784 200 L N -1.813 119.421 121.223 0.018 0.000 2.072 200 L HA -0.104 4.236 4.340 0.001 0.000 0.205 200 L C 2.371 179.205 176.870 -0.059 0.000 1.079 200 L CA 1.131 55.960 54.840 -0.017 0.000 0.752 200 L CB -0.875 41.186 42.059 0.002 0.000 0.906 200 L HN -0.047 nan 8.230 nan 0.000 0.436 201 L N -0.466 120.766 121.223 0.014 0.000 2.056 201 L HA -0.166 4.175 4.340 0.001 0.000 0.207 201 L C 2.369 179.278 176.870 0.064 0.000 1.078 201 L CA 1.200 56.058 54.840 0.029 0.000 0.749 201 L CB -0.538 41.623 42.059 0.169 0.000 0.901 201 L HN 0.274 nan 8.230 nan 0.000 0.433 202 E N -0.365 119.893 120.200 0.097 0.000 2.409 202 E HA -0.102 4.249 4.350 0.001 0.000 0.198 202 E C 1.520 178.151 176.600 0.052 0.000 1.024 202 E CA 0.839 57.312 56.400 0.122 0.000 0.861 202 E CB 0.026 29.789 29.700 0.104 0.000 0.788 202 E HN 0.343 nan 8.360 nan 0.000 0.521 203 S N -0.455 115.241 115.700 -0.005 0.000 2.568 203 S HA 0.114 4.585 4.470 0.001 0.000 0.232 203 S C -0.091 174.454 174.600 -0.093 0.000 0.975 203 S CA -0.455 57.710 58.200 -0.059 0.000 0.949 203 S CB -0.017 63.151 63.200 -0.054 0.000 0.829 203 S HN 0.343 nan 8.310 nan 0.000 0.479 204 Y N 1.031 121.010 120.300 -0.535 0.000 4.324 204 Y HA -0.294 4.256 4.550 0.001 0.000 0.224 204 Y C 0.628 175.900 175.900 -1.047 0.000 1.113 204 Y CA -0.033 57.391 58.100 -1.126 0.000 1.887 204 Y CB -1.225 36.791 38.460 -0.740 0.000 1.602 204 Y HN 0.263 nan 8.280 nan 0.000 0.654 205 R N 0.715 120.925 120.500 -0.484 0.000 3.710 205 R HA 0.116 4.457 4.340 0.001 0.000 0.201 205 R C 0.598 176.780 176.300 -0.198 0.000 1.641 205 R CA -0.127 55.832 56.100 -0.235 0.000 1.390 205 R CB -0.478 29.761 30.300 -0.102 0.000 1.341 205 R HN 0.354 nan 8.270 nan 0.000 0.728 206 F N -0.224 119.749 119.950 0.039 0.000 2.325 206 F HA -0.079 4.448 4.527 0.001 0.000 0.299 206 F C 2.611 178.452 175.800 0.068 0.000 1.090 206 F CA 0.491 58.512 58.000 0.035 0.000 1.392 206 F CB -0.020 38.984 39.000 0.007 0.000 1.053 206 F HN 0.264 nan 8.300 nan 0.000 0.521 207 R N 0.873 121.511 120.500 0.230 0.000 2.081 207 R HA -0.164 4.176 4.340 0.001 0.000 0.235 207 R C 1.547 177.926 176.300 0.131 0.000 1.131 207 R CA 1.858 58.062 56.100 0.172 0.000 0.960 207 R CB -0.453 29.921 30.300 0.124 0.000 0.856 207 R HN 0.221 nan 8.270 nan 0.000 0.436 208 D N -0.151 120.302 120.400 0.089 0.000 2.178 208 D HA -0.108 4.533 4.640 0.001 0.000 0.202 208 D C 1.891 178.232 176.300 0.068 0.000 0.974 208 D CA 0.838 54.871 54.000 0.056 0.000 0.841 208 D CB 0.030 40.841 40.800 0.019 0.000 0.953 208 D HN 0.085 nan 8.370 nan 0.000 0.478 209 V N 0.683 120.659 119.914 0.103 0.000 2.427 209 V HA -0.168 3.953 4.120 0.001 0.000 0.248 209 V C 2.636 178.792 176.094 0.103 0.000 1.051 209 V CA 0.788 63.157 62.300 0.114 0.000 1.048 209 V CB -0.222 31.710 31.823 0.183 0.000 0.666 209 V HN 0.045 nan 8.190 nan 0.000 0.456 210 V N 0.152 120.147 119.914 0.134 0.000 2.295 210 V HA -0.258 3.863 4.120 0.001 0.000 0.246 210 V C 2.312 178.428 176.094 0.037 0.000 1.049 210 V CA 2.248 64.618 62.300 0.118 0.000 1.024 210 V CB -0.619 31.320 31.823 0.194 0.000 0.648 210 V HN 0.566 nan 8.190 nan 0.000 0.447 211 D N -0.166 120.277 120.400 0.072 0.000 2.144 211 D HA -0.119 4.522 4.640 0.001 0.000 0.199 211 D C 2.075 178.352 176.300 -0.038 0.000 0.984 211 D CA 1.366 55.385 54.000 0.032 0.000 0.834 211 D CB -0.100 40.750 40.800 0.084 0.000 0.955 211 D HN 0.405 nan 8.370 nan 0.000 0.465 212 I N 0.393 120.956 120.570 -0.012 0.000 2.252 212 I HA -0.204 3.966 4.170 0.001 0.000 0.245 212 I C 2.450 178.532 176.117 -0.057 0.000 1.102 212 I CA 0.511 61.799 61.300 -0.021 0.000 1.385 212 I CB -0.080 37.923 38.000 0.006 0.000 1.064 212 I HN -0.124 nan 8.210 nan 0.000 0.414 213 V N 1.120 120.999 119.914 -0.058 0.000 2.261 213 V HA -0.264 3.857 4.120 0.001 0.000 0.246 213 V C 2.394 178.360 176.094 -0.212 0.000 1.047 213 V CA 1.526 63.770 62.300 -0.092 0.000 1.015 213 V CB -0.409 31.389 31.823 -0.042 0.000 0.642 213 V HN 0.277 nan 8.190 nan 0.000 0.446 214 I N 1.310 121.688 120.570 -0.319 0.000 2.226 214 I HA -0.208 3.962 4.170 0.001 0.000 0.245 214 I C 2.776 178.602 176.117 -0.484 0.000 1.100 214 I CA 2.256 63.183 61.300 -0.622 0.000 1.374 214 I CB -1.537 35.957 38.000 -0.843 0.000 1.057 214 I HN 0.554 nan 8.210 nan 0.000 0.413 215 S N 0.178 115.708 115.700 -0.282 0.000 2.399 215 S HA -0.128 4.343 4.470 0.001 0.000 0.231 215 S C 2.107 176.635 174.600 -0.119 0.000 1.022 215 S CA 1.488 59.596 58.200 -0.153 0.000 0.983 215 S CB -0.527 62.633 63.200 -0.066 0.000 0.803 215 S HN 0.377 nan 8.310 nan 0.000 0.480 216 S N 1.913 117.536 115.700 -0.128 0.000 2.357 216 S HA 0.082 4.552 4.470 0.001 0.000 0.221 216 S C 1.925 176.464 174.600 -0.102 0.000 1.031 216 S CA 0.720 58.861 58.200 -0.099 0.000 0.982 216 S CB -0.246 62.900 63.200 -0.090 0.000 0.853 216 S HN 0.498 nan 8.310 nan 0.000 0.458 217 K N 0.938 121.249 120.400 -0.148 0.000 2.147 217 K HA 0.047 4.367 4.320 0.001 0.000 0.205 217 K C 2.051 178.680 176.600 0.048 0.000 1.049 217 K CA 0.886 57.129 56.287 -0.073 0.000 0.936 217 K CB -0.297 32.124 32.500 -0.132 0.000 0.722 217 K HN 0.379 nan 8.250 nan 0.000 0.446 218 M N -0.059 119.508 119.600 -0.055 0.000 2.159 218 M HA -0.152 4.329 4.480 0.001 0.000 0.263 218 M C 1.970 178.339 176.300 0.114 0.000 1.063 218 M CA 1.586 56.950 55.300 0.107 0.000 1.110 218 M CB -0.077 32.537 32.600 0.023 0.000 1.374 218 M HN 0.103 nan 8.290 nan 0.000 0.411 219 A N -0.526 122.319 122.820 0.042 0.000 2.308 219 A HA 0.325 4.646 4.320 0.001 0.000 0.217 219 A C 0.760 178.349 177.584 0.008 0.000 1.216 219 A CA -0.191 51.865 52.037 0.032 0.000 0.864 219 A CB -0.058 18.947 19.000 0.008 0.000 0.902 219 A HN 0.288 nan 8.150 nan 0.000 0.499 220 L N 0.546 121.775 121.223 0.009 0.000 2.399 220 L HA 0.304 4.645 4.340 0.001 0.000 0.266 220 L C 0.294 177.192 176.870 0.047 0.000 1.114 220 L CA -0.707 54.120 54.840 -0.021 0.000 0.804 220 L CB 0.806 42.840 42.059 -0.042 0.000 1.146 220 L HN 0.256 nan 8.230 nan 0.000 0.451 221 R N 2.643 123.168 120.500 0.041 0.000 2.351 221 R HA 0.082 4.422 4.340 0.001 0.000 0.318 221 R C -1.625 174.691 176.300 0.027 0.000 1.055 221 R CA -1.461 54.667 56.100 0.046 0.000 0.968 221 R CB 0.340 30.662 30.300 0.037 0.000 0.974 221 R HN 0.367 nan 8.270 nan 0.000 0.439 222 P HA -0.223 nan 4.420 nan 0.000 0.218 222 P C 0.601 177.858 177.300 -0.073 0.000 1.146 222 P CA 1.275 64.410 63.100 0.059 0.000 0.813 222 P CB 0.129 31.956 31.700 0.212 0.000 0.778 223 D N -1.323 118.806 120.400 -0.451 0.000 2.363 223 D HA -0.089 4.552 4.640 0.001 0.000 0.220 223 D C 0.483 176.672 176.300 -0.184 0.000 0.994 223 D CA 0.477 53.917 54.000 -0.934 0.000 0.890 223 D CB -0.128 39.981 40.800 -1.151 0.000 0.906 223 D HN 0.196 nan 8.370 nan 0.000 0.530 224 R N 0.776 121.223 120.500 -0.089 0.000 2.532 224 R HA 0.473 4.814 4.340 0.001 0.000 0.295 224 R C -2.586 173.545 176.300 -0.282 0.000 0.968 224 R CA -1.953 54.069 56.100 -0.131 0.000 0.916 224 R CB 1.251 31.511 30.300 -0.067 0.000 1.124 224 R HN -0.035 nan 8.270 nan 0.000 0.463 225 P HA 0.015 nan 4.420 nan 0.000 0.269 225 P C -0.819 176.261 177.300 -0.366 0.000 1.209 225 P CA -0.102 62.543 63.100 -0.759 0.000 0.776 225 P CB 0.689 31.850 31.700 -0.898 0.000 0.876 226 V N 3.524 123.262 119.914 -0.294 0.000 2.581 226 V HA 0.363 4.483 4.120 0.001 0.000 0.303 226 V C -0.232 175.709 176.094 -0.254 0.000 1.041 226 V CA -0.347 61.837 62.300 -0.193 0.000 0.907 226 V CB 1.512 33.252 31.823 -0.139 0.000 0.994 226 V HN 0.604 nan 8.190 nan 0.000 0.442 227 H N 4.521 123.369 119.070 -0.370 0.000 2.609 227 H HA 0.466 5.022 4.556 0.001 0.000 0.344 227 H C -1.332 173.738 175.328 -0.431 0.000 1.040 227 H CA -1.089 54.667 56.048 -0.487 0.000 1.216 227 H CB 1.896 31.309 29.762 -0.581 0.000 1.529 227 H HN 0.513 nan 8.280 nan 0.000 0.519 228 L N 7.169 128.334 121.223 -0.097 0.000 2.328 228 L HA 0.273 4.613 4.340 0.001 0.000 0.280 228 L C -0.738 176.263 176.870 0.219 0.000 1.111 228 L CA -0.124 54.719 54.840 0.005 0.000 0.909 228 L CB -0.910 41.110 42.059 -0.066 0.000 1.277 228 L HN 0.528 nan 8.230 nan 0.000 0.433 229 F N 4.935 124.928 119.950 0.072 0.000 2.593 229 F HA 0.237 4.765 4.527 0.001 0.000 0.393 229 F C 1.681 177.519 175.800 0.063 0.000 1.037 229 F CA 1.211 59.197 58.000 -0.024 0.000 1.195 229 F CB 0.548 39.441 39.000 -0.179 0.000 1.034 229 F HN 0.783 nan 8.300 nan 0.000 0.552 230 G N 2.874 111.913 108.800 0.398 0.000 2.176 230 G HA2 -0.246 3.715 3.960 0.001 0.000 0.253 230 G HA3 -0.246 3.715 3.960 0.001 0.000 0.253 230 G C 0.160 175.208 174.900 0.248 0.000 0.979 230 G CA -0.130 45.110 45.100 0.233 0.000 0.641 230 G HN 1.101 nan 8.290 nan 0.000 0.530 231 A N 0.820 123.836 122.820 0.328 0.000 2.805 231 A HA 0.666 4.987 4.320 0.001 0.000 0.301 231 A C 1.352 179.203 177.584 0.445 0.000 1.557 231 A CA 1.189 53.469 52.037 0.405 0.000 1.254 231 A CB -0.111 19.216 19.000 0.545 0.000 1.114 231 A HN 1.536 nan 8.150 nan 0.000 0.553 232 G N 0.266 109.244 108.800 0.296 0.000 3.453 232 G HA2 0.184 4.145 3.960 0.001 0.000 0.263 232 G HA3 0.184 4.145 3.960 0.001 0.000 0.263 232 G C 0.310 175.280 174.900 0.116 0.000 1.060 232 G CA -0.080 45.162 45.100 0.238 0.000 0.793 232 G HN 0.730 nan 8.290 nan 0.000 0.532 233 H N 0.991 120.029 119.070 -0.052 0.000 2.476 233 H HA 0.302 4.859 4.556 0.001 0.000 0.328 233 H C -1.906 172.950 175.328 -0.786 0.000 1.073 233 H CA -1.869 54.013 56.048 -0.276 0.000 1.229 233 H CB 2.787 32.482 29.762 -0.112 0.000 1.432 233 H HN -0.124 nan 8.280 nan 0.000 0.477 234 P HA -0.168 nan 4.420 nan 0.000 0.219 234 P C 1.762 178.593 177.300 -0.782 0.000 1.144 234 P CA 0.902 63.150 63.100 -1.420 0.000 0.806 234 P CB 0.190 31.465 31.700 -0.708 0.000 0.771 235 I N -0.307 120.178 120.570 -0.141 0.000 2.335 235 I HA -0.188 3.983 4.170 0.001 0.000 0.251 235 I C 1.550 177.457 176.117 -0.350 0.000 1.129 235 I CA 1.521 62.699 61.300 -0.203 0.000 1.402 235 I CB 0.130 37.969 38.000 -0.268 0.000 1.069 235 I HN -0.105 nan 8.210 nan 0.000 0.424 236 V N -3.472 116.250 119.914 -0.320 0.000 3.590 236 V HA 0.012 4.133 4.120 0.001 0.000 0.265 236 V C 2.107 178.240 176.094 0.065 0.000 1.239 236 V CA 0.226 62.423 62.300 -0.172 0.000 1.117 236 V CB -1.049 30.769 31.823 -0.009 0.000 0.818 236 V HN 0.287 nan 8.190 nan 0.000 0.451 237 F N 2.240 122.053 119.950 -0.229 0.000 2.024 237 F HA -0.282 4.246 4.527 0.001 0.000 0.296 237 F C 2.958 178.687 175.800 -0.117 0.000 1.137 237 F CA 1.824 59.627 58.000 -0.327 0.000 1.200 237 F CB -0.862 37.869 39.000 -0.449 0.000 0.954 237 F HN 0.335 nan 8.300 nan 0.000 0.497 238 A N 0.233 123.103 122.820 0.084 0.000 1.892 238 A HA -0.252 4.068 4.320 0.001 0.000 0.218 238 A C 2.002 179.580 177.584 -0.010 0.000 1.188 238 A CA 1.980 54.019 52.037 0.003 0.000 0.631 238 A CB -1.147 17.828 19.000 -0.042 0.000 0.822 238 A HN 0.412 nan 8.150 nan 0.000 0.447 239 L N -0.373 120.855 121.223 0.009 0.000 1.976 239 L HA -0.090 4.250 4.340 0.001 0.000 0.209 239 L C 2.776 179.703 176.870 0.096 0.000 1.071 239 L CA 2.480 57.349 54.840 0.048 0.000 0.746 239 L CB -0.842 41.236 42.059 0.032 0.000 0.890 239 L HN 0.358 nan 8.230 nan 0.000 0.432 240 A N -1.026 121.890 122.820 0.160 0.000 1.892 240 A HA -0.208 4.113 4.320 0.001 0.000 0.218 240 A C 2.277 179.958 177.584 0.162 0.000 1.188 240 A CA 2.307 54.472 52.037 0.214 0.000 0.631 240 A CB -1.329 17.920 19.000 0.414 0.000 0.822 240 A HN 0.360 nan 8.150 nan 0.000 0.447 241 V N -0.224 119.803 119.914 0.187 0.000 2.392 241 V HA -0.260 3.861 4.120 0.001 0.000 0.249 241 V C 2.965 179.044 176.094 -0.025 0.000 1.059 241 V CA 1.869 64.221 62.300 0.086 0.000 1.051 241 V CB -1.131 30.731 31.823 0.065 0.000 0.658 241 V HN 0.635 nan 8.190 nan 0.000 0.455 242 A N -0.986 121.783 122.820 -0.086 0.000 2.125 242 A HA -0.117 4.203 4.320 0.001 0.000 0.219 242 A C 2.085 179.656 177.584 -0.022 0.000 1.156 242 A CA 1.557 53.452 52.037 -0.237 0.000 0.671 242 A CB -0.433 18.281 19.000 -0.476 0.000 0.794 242 A HN 0.541 nan 8.150 nan 0.000 0.459 243 M N -1.518 118.140 119.600 0.096 0.000 2.495 243 M HA 0.191 4.672 4.480 0.001 0.000 0.237 243 M C 1.179 177.600 176.300 0.202 0.000 1.131 243 M CA 0.751 56.188 55.300 0.229 0.000 1.032 243 M CB 0.401 33.098 32.600 0.163 0.000 1.513 243 M HN 0.598 nan 8.290 nan 0.000 0.488 244 G N 1.100 109.945 108.800 0.074 0.000 2.130 244 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 244 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 244 G C -0.177 174.697 174.900 -0.043 0.000 0.999 244 G CA -0.490 44.616 45.100 0.010 0.000 0.686 244 G HN 0.282 nan 8.290 nan 0.000 0.515 245 V N 1.353 121.222 119.914 -0.075 0.000 2.432 245 V HA 0.315 4.435 4.120 0.001 0.000 0.271 245 V C 0.876 176.796 176.094 -0.290 0.000 1.046 245 V CA 0.243 62.407 62.300 -0.226 0.000 0.945 245 V CB 1.457 33.093 31.823 -0.311 0.000 0.992 245 V HN 0.348 nan 8.190 nan 0.000 0.471 246 D N 4.204 124.407 120.400 -0.329 0.000 2.355 246 D HA 0.200 4.841 4.640 0.001 0.000 0.206 246 D C 0.165 176.229 176.300 -0.394 0.000 1.010 246 D CA 0.583 54.427 54.000 -0.260 0.000 0.875 246 D CB 1.105 41.792 40.800 -0.188 0.000 0.966 246 D HN 0.322 nan 8.370 nan 0.000 0.512 247 L N 0.144 120.957 121.223 -0.682 0.000 2.388 247 L HA 0.465 4.805 4.340 0.001 0.000 0.264 247 L C -1.197 174.936 176.870 -1.228 0.000 0.998 247 L CA -0.867 53.503 54.840 -0.784 0.000 0.817 247 L CB 2.114 43.728 42.059 -0.741 0.000 1.338 247 L HN -0.271 nan 8.230 nan 0.000 0.414 248 F N -0.148 119.403 119.950 -0.665 0.000 2.613 248 F HA 0.514 5.042 4.527 0.001 0.000 0.314 248 F C -0.671 174.911 175.800 -0.363 0.000 1.075 248 F CA -0.915 56.802 58.000 -0.472 0.000 0.945 248 F CB 2.087 40.866 39.000 -0.369 0.000 1.310 248 F HN 0.490 nan 8.300 nan 0.000 0.467 249 D N -0.822 119.648 120.400 0.117 0.000 2.738 249 D HA 0.562 5.203 4.640 0.001 0.000 0.237 249 D C -1.336 175.049 176.300 0.142 0.000 1.123 249 D CA -0.712 53.360 54.000 0.120 0.000 0.856 249 D CB 2.152 43.098 40.800 0.244 0.000 1.552 249 D HN 0.457 nan 8.370 nan 0.000 0.480 250 S N 0.630 116.378 115.700 0.079 0.000 2.594 250 S HA 0.632 5.103 4.470 0.001 0.000 0.296 250 S C -0.250 174.412 174.600 0.103 0.000 1.124 250 S CA -0.226 58.030 58.200 0.094 0.000 1.011 250 S CB 1.244 64.509 63.200 0.108 0.000 1.016 250 S HN 0.751 nan 8.310 nan 0.000 0.485 251 A N 3.416 126.220 122.820 -0.027 0.000 2.192 251 A HA 0.295 4.616 4.320 0.001 0.000 0.208 251 A C 1.862 179.268 177.584 -0.296 0.000 1.220 251 A CA 0.577 52.514 52.037 -0.167 0.000 0.900 251 A CB -0.512 18.377 19.000 -0.185 0.000 0.937 251 A HN 0.718 nan 8.150 nan 0.000 0.487 252 S N 0.133 115.693 115.700 -0.233 0.000 2.383 252 S HA -0.233 4.237 4.470 0.001 0.000 0.229 252 S C 1.847 176.203 174.600 -0.407 0.000 1.030 252 S CA 1.806 59.754 58.200 -0.419 0.000 1.002 252 S CB -0.791 62.007 63.200 -0.669 0.000 0.829 252 S HN 0.889 nan 8.310 nan 0.000 0.467 253 Y N 1.675 121.814 120.300 -0.268 0.000 2.181 253 Y HA -0.147 4.403 4.550 0.001 0.000 0.284 253 Y C 2.187 178.033 175.900 -0.089 0.000 1.179 253 Y CA 0.806 58.789 58.100 -0.196 0.000 1.179 253 Y CB -0.873 37.458 38.460 -0.215 0.000 0.973 253 Y HN 0.191 nan 8.280 nan 0.000 0.519 254 A N 1.242 123.430 122.820 -1.055 0.000 1.871 254 A HA 0.101 4.422 4.320 0.001 0.000 0.211 254 A C 2.261 179.694 177.584 -0.251 0.000 1.207 254 A CA 0.943 52.584 52.037 -0.661 0.000 0.620 254 A CB -0.973 17.499 19.000 -0.881 0.000 0.860 254 A HN 0.476 nan 8.150 nan 0.000 0.450 255 L N -1.454 119.642 121.223 -0.213 0.000 2.043 255 L HA -0.262 4.079 4.340 0.001 0.000 0.212 255 L C 2.634 179.601 176.870 0.163 0.000 1.075 255 L CA 1.776 56.612 54.840 -0.007 0.000 0.752 255 L CB -0.879 41.202 42.059 0.037 0.000 0.891 255 L HN 0.524 nan 8.230 nan 0.000 0.432 256 Y N -0.154 120.125 120.300 -0.036 0.000 2.145 256 Y HA -0.295 4.255 4.550 0.001 0.000 0.286 256 Y C 2.763 178.685 175.900 0.037 0.000 1.145 256 Y CA 0.438 58.555 58.100 0.029 0.000 1.148 256 Y CB -0.213 38.286 38.460 0.065 0.000 0.981 256 Y HN 0.207 nan 8.280 nan 0.000 0.507 257 A N 0.527 123.462 122.820 0.191 0.000 1.908 257 A HA -0.258 4.062 4.320 0.001 0.000 0.218 257 A C 2.002 179.637 177.584 0.086 0.000 1.181 257 A CA 1.926 54.043 52.037 0.132 0.000 0.627 257 A CB -0.588 18.468 19.000 0.093 0.000 0.818 257 A HN 0.402 nan 8.150 nan 0.000 0.445 258 K N -0.431 120.003 120.400 0.057 0.000 2.281 258 K HA -0.124 4.197 4.320 0.001 0.000 0.203 258 K C -0.027 176.597 176.600 0.040 0.000 1.046 258 K CA 1.288 57.596 56.287 0.037 0.000 0.938 258 K CB -0.063 32.449 32.500 0.020 0.000 0.737 258 K HN 0.450 nan 8.250 nan 0.000 0.458 259 D N 0.741 121.171 120.400 0.049 0.000 2.559 259 D HA 0.020 4.661 4.640 0.001 0.000 0.234 259 D C -0.775 175.544 176.300 0.032 0.000 1.226 259 D CA 0.069 54.084 54.000 0.025 0.000 0.830 259 D CB 0.522 41.321 40.800 -0.003 0.000 1.028 259 D HN 0.008 nan 8.370 nan 0.000 0.492 260 D N 1.497 121.934 120.400 0.062 0.000 2.701 260 D HA -0.196 4.444 4.640 0.001 0.000 0.235 260 D C -0.055 176.308 176.300 0.105 0.000 1.155 260 D CA 0.752 54.802 54.000 0.084 0.000 0.649 260 D CB -0.723 40.110 40.800 0.055 0.000 1.050 260 D HN 0.356 nan 8.370 nan 0.000 0.425 261 R N 0.424 121.000 120.500 0.127 0.000 2.393 261 R HA 0.419 4.760 4.340 0.001 0.000 0.310 261 R C -0.334 176.156 176.300 0.317 0.000 0.968 261 R CA -0.710 55.474 56.100 0.140 0.000 0.867 261 R CB 1.519 31.771 30.300 -0.080 0.000 1.124 261 R HN 0.158 nan 8.270 nan 0.000 0.450 262 Y N 3.656 124.074 120.300 0.197 0.000 2.342 262 Y HA 0.309 4.860 4.550 0.001 0.000 0.338 262 Y C -0.079 176.021 175.900 0.335 0.000 0.965 262 Y CA -0.615 57.637 58.100 0.253 0.000 1.159 262 Y CB 1.085 39.638 38.460 0.156 0.000 1.157 262 Y HN 0.484 nan 8.280 nan 0.000 0.486 263 M N 4.514 124.214 119.600 0.166 0.000 2.241 263 M HA 0.303 4.784 4.480 0.001 0.000 0.335 263 M C -0.391 175.929 176.300 0.032 0.000 1.122 263 M CA 0.575 55.912 55.300 0.062 0.000 1.164 263 M CB 0.960 33.417 32.600 -0.238 0.000 1.459 263 M HN 0.689 nan 8.290 nan 0.000 0.461 264 T N 1.326 115.936 114.554 0.092 0.000 2.889 264 T HA 0.283 4.634 4.350 0.001 0.000 0.315 264 T C -2.230 172.521 174.700 0.086 0.000 1.291 264 T CA -0.938 61.242 62.100 0.133 0.000 1.028 264 T CB 2.059 71.086 68.868 0.266 0.000 1.235 264 T HN 0.307 nan 8.240 nan 0.000 0.491 265 P HA -0.016 nan 4.420 nan 0.000 0.221 265 P C 0.668 177.990 177.300 0.036 0.000 1.145 265 P CA 0.993 64.082 63.100 -0.018 0.000 0.795 265 P CB 0.274 31.963 31.700 -0.017 0.000 0.775 266 E N -1.535 118.728 120.200 0.104 0.000 2.472 266 E HA 0.338 4.689 4.350 0.001 0.000 0.196 266 E C 1.171 177.879 176.600 0.180 0.000 1.033 266 E CA 0.319 56.787 56.400 0.114 0.000 0.886 266 E CB 0.159 29.930 29.700 0.118 0.000 0.944 266 E HN 0.178 nan 8.360 nan 0.000 0.492 267 G N -1.024 107.943 108.800 0.278 0.000 2.441 267 G HA2 0.127 4.087 3.960 0.001 0.000 0.222 267 G HA3 0.127 4.087 3.960 0.001 0.000 0.222 267 G C -1.029 174.167 174.900 0.493 0.000 1.254 267 G CA -0.461 44.839 45.100 0.333 0.000 0.959 267 G HN -0.056 nan 8.290 nan 0.000 0.474 268 T N 1.492 116.297 114.554 0.419 0.000 2.886 268 T HA 0.707 5.057 4.350 0.001 0.000 0.292 268 T C -0.932 173.938 174.700 0.283 0.000 1.012 268 T CA -0.764 61.588 62.100 0.420 0.000 0.982 268 T CB 2.001 71.105 68.868 0.394 0.000 1.018 268 T HN 0.516 nan 8.240 nan 0.000 0.451 269 K N 2.050 122.636 120.400 0.308 0.000 2.318 269 K HA 0.512 4.832 4.320 0.001 0.000 0.249 269 K C -0.306 176.396 176.600 0.170 0.000 0.942 269 K CA -0.873 55.546 56.287 0.219 0.000 0.808 269 K CB 2.627 35.267 32.500 0.233 0.000 1.189 269 K HN 0.456 nan 8.250 nan 0.000 0.428 270 R N 1.262 121.812 120.500 0.083 0.000 2.410 270 R HA 0.130 4.471 4.340 0.001 0.000 0.288 270 R C 1.396 177.716 176.300 0.034 0.000 1.051 270 R CA -0.500 55.630 56.100 0.050 0.000 1.021 270 R CB 0.637 30.945 30.300 0.013 0.000 1.032 270 R HN 0.376 nan 8.270 nan 0.000 0.481 271 L N 3.022 124.273 121.223 0.046 0.000 2.017 271 L HA -0.199 4.142 4.340 0.001 0.000 0.208 271 L C 1.537 178.380 176.870 -0.046 0.000 1.073 271 L CA 2.143 56.991 54.840 0.013 0.000 0.745 271 L CB -0.530 41.564 42.059 0.058 0.000 0.894 271 L HN 0.755 nan 8.230 nan 0.000 0.432 272 D N -1.171 119.211 120.400 -0.030 0.000 2.403 272 D HA -0.224 4.416 4.640 0.001 0.000 0.227 272 D C 1.583 177.845 176.300 -0.062 0.000 0.995 272 D CA 0.971 54.942 54.000 -0.049 0.000 0.928 272 D CB -0.444 40.337 40.800 -0.031 0.000 0.887 272 D HN 0.653 nan 8.370 nan 0.000 0.529 273 E N 0.043 120.206 120.200 -0.062 0.000 2.562 273 E HA 0.082 4.433 4.350 0.001 0.000 0.214 273 E C -0.186 176.358 176.600 -0.093 0.000 0.979 273 E CA -0.302 56.062 56.400 -0.060 0.000 1.002 273 E CB 0.260 29.946 29.700 -0.024 0.000 1.048 273 E HN 0.276 nan 8.360 nan 0.000 0.488 274 L N 1.850 122.982 121.223 -0.152 0.000 2.276 274 L HA 0.238 4.579 4.340 0.001 0.000 0.286 274 L C 0.776 177.440 176.870 -0.343 0.000 1.061 274 L CA -0.292 54.407 54.840 -0.236 0.000 0.807 274 L CB 1.237 43.092 42.059 -0.342 0.000 1.177 274 L HN -0.010 nan 8.230 nan 0.000 0.429 275 D N 2.155 122.333 120.400 -0.369 0.000 2.338 275 D HA 0.063 4.703 4.640 0.001 0.000 0.208 275 D C -0.659 175.021 176.300 -1.032 0.000 0.997 275 D CA 0.963 54.548 54.000 -0.692 0.000 0.880 275 D CB 0.725 41.071 40.800 -0.757 0.000 0.980 275 D HN 0.293 nan 8.370 nan 0.000 0.509 276 Y N -1.021 119.129 120.300 -0.250 0.000 2.588 276 Y HA 0.379 4.930 4.550 0.001 0.000 0.343 276 Y C -0.698 175.070 175.900 -0.219 0.000 1.065 276 Y CA -1.221 56.742 58.100 -0.230 0.000 1.038 276 Y CB 0.941 39.350 38.460 -0.086 0.000 1.297 276 Y HN -0.322 nan 8.280 nan 0.000 0.467 277 F N 3.859 123.851 119.950 0.070 0.000 2.371 277 F HA 0.364 4.892 4.527 0.001 0.000 0.363 277 F C -1.915 173.957 175.800 0.120 0.000 1.122 277 F CA -3.438 54.562 58.000 -0.001 0.000 1.129 277 F CB 1.057 40.079 39.000 0.037 0.000 1.173 277 F HN 0.195 nan 8.300 nan 0.000 0.489 278 P HA 0.166 nan 4.420 nan 0.000 0.218 278 P C -0.466 177.010 177.300 0.292 0.000 1.793 278 P CA 0.222 63.487 63.100 0.275 0.000 0.941 278 P CB 0.336 32.185 31.700 0.248 0.000 1.919 279 C N -0.420 119.047 119.300 0.279 0.000 3.285 279 C HA 0.481 4.941 4.460 0.001 0.000 0.325 279 C C 0.805 175.875 174.990 0.133 0.000 1.304 279 C CA -0.190 58.956 59.018 0.213 0.000 1.319 279 C CB 1.534 29.453 27.740 0.297 0.000 1.640 279 C HN 0.230 nan 8.230 nan 0.000 0.477 280 S N 1.011 116.745 115.700 0.056 0.000 2.629 280 S HA 0.168 4.639 4.470 0.001 0.000 0.236 280 S C 0.714 175.256 174.600 -0.097 0.000 1.010 280 S CA 0.275 58.474 58.200 -0.002 0.000 0.981 280 S CB -0.555 62.635 63.200 -0.016 0.000 0.919 280 S HN 1.165 nan 8.310 nan 0.000 0.514 281 C N 1.817 121.036 119.300 -0.134 0.000 2.801 281 C HA 0.205 4.666 4.460 0.001 0.000 0.376 281 C C -0.902 173.879 174.990 -0.348 0.000 1.323 281 C CA -0.882 57.908 59.018 -0.380 0.000 2.170 281 C CB -0.296 27.234 27.740 -0.350 0.000 2.650 281 C HN 0.197 nan 8.230 nan 0.000 0.736 282 P HA -0.134 nan 4.420 nan 0.000 0.217 282 P C 1.663 178.952 177.300 -0.018 0.000 1.148 282 P CA 1.785 64.739 63.100 -0.244 0.000 0.834 282 P CB -0.098 31.478 31.700 -0.207 0.000 0.783 283 V N -1.247 118.681 119.914 0.023 0.000 2.300 283 V HA -0.189 3.931 4.120 0.001 0.000 0.241 283 V C 2.501 178.675 176.094 0.133 0.000 1.034 283 V CA 1.923 64.315 62.300 0.153 0.000 1.021 283 V CB -1.408 30.471 31.823 0.093 0.000 0.662 283 V HN 0.153 nan 8.190 nan 0.000 0.458 284 C N 1.159 120.432 119.300 -0.045 0.000 2.422 284 C HA -0.101 4.360 4.460 0.001 0.000 0.279 284 C C 3.183 178.254 174.990 0.135 0.000 1.305 284 C CA 1.292 60.271 59.018 -0.065 0.000 1.757 284 C CB -1.188 26.489 27.740 -0.105 0.000 1.962 284 C HN 0.749 nan 8.230 nan 0.000 0.499 285 S N 0.423 116.156 115.700 0.055 0.000 2.481 285 S HA -0.124 4.347 4.470 0.001 0.000 0.231 285 S C 1.680 176.296 174.600 0.026 0.000 0.996 285 S CA 1.270 59.493 58.200 0.039 0.000 0.942 285 S CB -0.294 62.890 63.200 -0.026 0.000 0.768 285 S HN 0.774 nan 8.310 nan 0.000 0.520 286 K N -0.672 119.747 120.400 0.032 0.000 2.214 286 K HA 0.226 4.546 4.320 0.001 0.000 0.201 286 K C -0.422 176.047 176.600 -0.218 0.000 1.049 286 K CA 0.244 56.461 56.287 -0.118 0.000 0.978 286 K CB 0.188 32.583 32.500 -0.175 0.000 0.842 286 K HN 0.403 nan 8.250 nan 0.000 0.474 287 Y N -0.428 119.956 120.300 0.140 0.000 2.631 287 Y HA 0.350 4.900 4.550 0.001 0.000 0.328 287 Y C 0.279 176.374 175.900 0.324 0.000 1.118 287 Y CA -0.912 57.308 58.100 0.201 0.000 1.206 287 Y CB 1.594 40.186 38.460 0.219 0.000 1.337 287 Y HN -0.254 nan 8.280 nan 0.000 0.515 288 T N 0.618 115.400 114.554 0.380 0.000 2.932 288 T HA 0.331 4.682 4.350 0.001 0.000 0.289 288 T C -2.111 172.492 174.700 -0.162 0.000 1.039 288 T CA -2.536 59.606 62.100 0.070 0.000 1.024 288 T CB 1.271 70.130 68.868 -0.015 0.000 1.090 288 T HN 0.282 nan 8.240 nan 0.000 0.496 289 P HA -0.185 nan 4.420 nan 0.000 0.215 289 P C 1.769 178.911 177.300 -0.262 0.000 1.157 289 P CA 1.261 63.879 63.100 -0.804 0.000 0.874 289 P CB 0.105 31.259 31.700 -0.909 0.000 0.790 290 Q N 0.326 119.996 119.800 -0.218 0.000 2.084 290 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 290 Q C 1.854 177.839 176.000 -0.026 0.000 0.978 290 Q CA 1.729 57.466 55.803 -0.110 0.000 0.844 290 Q CB -1.362 27.310 28.738 -0.110 0.000 0.898 290 Q HN 0.347 nan 8.270 nan 0.000 0.426 291 E N 0.515 120.730 120.200 0.025 0.000 2.160 291 E HA -0.117 4.233 4.350 0.001 0.000 0.195 291 E C 2.060 178.727 176.600 0.112 0.000 0.991 291 E CA 0.718 57.183 56.400 0.109 0.000 0.810 291 E CB -0.010 29.821 29.700 0.218 0.000 0.742 291 E HN 0.190 nan 8.360 nan 0.000 0.466 292 L N 0.892 122.177 121.223 0.103 0.000 2.044 292 L HA -0.114 4.226 4.340 0.001 0.000 0.205 292 L C 2.091 178.980 176.870 0.032 0.000 1.075 292 L CA 1.621 56.502 54.840 0.068 0.000 0.747 292 L CB -0.518 41.651 42.059 0.184 0.000 0.903 292 L HN 0.102 nan 8.230 nan 0.000 0.435 293 R N -0.278 120.233 120.500 0.017 0.000 2.200 293 R HA -0.190 4.151 4.340 0.001 0.000 0.234 293 R C 1.790 178.093 176.300 0.005 0.000 1.127 293 R CA 1.177 57.278 56.100 0.003 0.000 0.989 293 R CB -0.105 30.182 30.300 -0.022 0.000 0.869 293 R HN 0.473 nan 8.270 nan 0.000 0.459 294 E N 0.118 120.325 120.200 0.011 0.000 2.299 294 E HA 0.039 4.390 4.350 0.001 0.000 0.193 294 E C 0.408 177.019 176.600 0.018 0.000 0.998 294 E CA 0.167 56.575 56.400 0.014 0.000 0.851 294 E CB 0.225 29.936 29.700 0.020 0.000 0.795 294 E HN 0.207 nan 8.360 nan 0.000 0.492 295 M N 1.277 120.887 119.600 0.017 0.000 2.207 295 M HA 0.125 4.606 4.480 0.001 0.000 0.311 295 M C -2.087 174.218 176.300 0.010 0.000 1.127 295 M CA -1.513 53.794 55.300 0.012 0.000 1.181 295 M CB -0.251 32.342 32.600 -0.012 0.000 1.409 295 M HN -0.246 nan 8.290 nan 0.000 0.461 296 P HA 0.044 nan 4.420 nan 0.000 0.272 296 P C 0.200 177.507 177.300 0.010 0.000 1.230 296 P CA -0.296 62.811 63.100 0.012 0.000 0.788 296 P CB 0.509 32.218 31.700 0.014 0.000 0.949 297 K N 2.066 122.473 120.400 0.012 0.000 2.074 297 K HA -0.238 4.082 4.320 0.001 0.000 0.209 297 K C 1.731 178.340 176.600 0.015 0.000 1.048 297 K CA 1.925 58.221 56.287 0.014 0.000 0.926 297 K CB -0.449 32.059 32.500 0.013 0.000 0.713 297 K HN 0.562 nan 8.250 nan 0.000 0.444 298 E N 0.372 120.580 120.200 0.014 0.000 2.077 298 E HA -0.204 4.146 4.350 0.001 0.000 0.193 298 E C 1.940 178.549 176.600 0.014 0.000 0.989 298 E CA 1.405 57.814 56.400 0.015 0.000 0.800 298 E CB -0.020 29.689 29.700 0.015 0.000 0.746 298 E HN 0.383 nan 8.360 nan 0.000 0.452 299 E N 0.243 120.448 120.200 0.008 0.000 2.107 299 E HA -0.192 4.158 4.350 0.001 0.000 0.191 299 E C 2.275 178.865 176.600 -0.016 0.000 0.982 299 E CA 0.489 56.888 56.400 -0.003 0.000 0.809 299 E CB 0.012 29.707 29.700 -0.010 0.000 0.756 299 E HN 0.112 nan 8.360 nan 0.000 0.459 300 R N -0.097 120.399 120.500 -0.007 0.000 2.080 300 R HA -0.129 4.212 4.340 0.001 0.000 0.236 300 R C 2.208 178.525 176.300 0.027 0.000 1.137 300 R CA 2.075 58.177 56.100 0.002 0.000 0.943 300 R CB -0.372 29.939 30.300 0.018 0.000 0.846 300 R HN 0.157 nan 8.270 nan 0.000 0.431 301 T N 0.881 115.454 114.554 0.031 0.000 2.720 301 T HA -0.133 4.218 4.350 0.001 0.000 0.268 301 T C 1.855 176.584 174.700 0.048 0.000 1.037 301 T CA 0.986 63.111 62.100 0.041 0.000 1.144 301 T CB -0.178 68.706 68.868 0.027 0.000 0.864 301 T HN 0.210 nan 8.240 nan 0.000 0.444 302 R N 0.581 121.104 120.500 0.038 0.000 2.062 302 R HA 0.073 4.414 4.340 0.001 0.000 0.231 302 R C 2.524 178.864 176.300 0.066 0.000 1.136 302 R CA 1.122 57.252 56.100 0.050 0.000 0.948 302 R CB -0.873 29.451 30.300 0.040 0.000 0.845 302 R HN 0.399 nan 8.270 nan 0.000 0.430 303 L N 0.731 121.975 121.223 0.035 0.000 2.083 303 L HA -0.193 4.148 4.340 0.001 0.000 0.209 303 L C 2.539 179.466 176.870 0.094 0.000 1.083 303 L CA 1.037 55.897 54.840 0.033 0.000 0.752 303 L CB -0.343 41.659 42.059 -0.096 0.000 0.899 303 L HN 0.209 nan 8.230 nan 0.000 0.433 304 L N -0.790 120.494 121.223 0.102 0.000 2.056 304 L HA -0.175 4.165 4.340 0.001 0.000 0.207 304 L C 2.872 179.857 176.870 0.192 0.000 1.078 304 L CA 1.087 56.029 54.840 0.170 0.000 0.749 304 L CB -0.633 41.529 42.059 0.173 0.000 0.901 304 L HN 0.238 nan 8.230 nan 0.000 0.433 305 A N 0.231 123.142 122.820 0.152 0.000 1.908 305 A HA -0.205 4.116 4.320 0.001 0.000 0.218 305 A C 2.221 179.913 177.584 0.179 0.000 1.181 305 A CA 1.563 53.711 52.037 0.185 0.000 0.627 305 A CB -0.754 18.345 19.000 0.166 0.000 0.818 305 A HN 0.366 nan 8.150 nan 0.000 0.445 306 L N -1.420 119.893 121.223 0.150 0.000 2.046 306 L HA -0.220 4.121 4.340 0.001 0.000 0.208 306 L C 2.666 179.663 176.870 0.210 0.000 1.077 306 L CA 1.848 56.768 54.840 0.134 0.000 0.747 306 L CB -0.798 41.385 42.059 0.206 0.000 0.896 306 L HN 0.739 nan 8.230 nan 0.000 0.432 307 H N 0.465 119.630 119.070 0.159 0.000 2.290 307 H HA -0.176 4.380 4.556 0.001 0.000 0.298 307 H C 2.110 177.454 175.328 0.028 0.000 1.087 307 H CA 2.127 58.239 56.048 0.106 0.000 1.291 307 H CB -0.107 29.601 29.762 -0.088 0.000 1.369 307 H HN 0.201 nan 8.280 nan 0.000 0.492 308 N N 0.503 119.010 118.700 -0.321 0.000 2.094 308 N HA -0.151 4.589 4.740 0.001 0.000 0.191 308 N C 2.178 177.540 175.510 -0.246 0.000 1.023 308 N CA 1.472 54.312 53.050 -0.350 0.000 0.857 308 N CB -0.410 38.042 38.487 -0.058 0.000 1.013 308 N HN 0.416 nan 8.380 nan 0.000 0.426 309 L N -1.105 120.019 121.223 -0.165 0.000 2.083 309 L HA -0.123 4.218 4.340 0.001 0.000 0.209 309 L C 2.095 178.897 176.870 -0.114 0.000 1.083 309 L CA 0.999 55.720 54.840 -0.199 0.000 0.752 309 L CB -0.331 41.529 42.059 -0.331 0.000 0.899 309 L HN 0.240 nan 8.230 nan 0.000 0.433 310 W N -1.193 120.034 121.300 -0.121 0.000 2.436 310 W HA -0.117 4.544 4.660 0.001 0.000 0.284 310 W C 2.358 178.777 176.519 -0.165 0.000 1.225 310 W CA 0.404 57.678 57.345 -0.118 0.000 1.271 310 W CB -0.306 29.090 29.460 -0.106 0.000 1.114 310 W HN -0.154 nan 8.180 nan 0.000 0.559 311 V N 0.416 120.280 119.914 -0.083 0.000 2.358 311 V HA -0.290 3.831 4.120 0.001 0.000 0.246 311 V C 1.928 177.973 176.094 -0.081 0.000 1.047 311 V CA 1.484 63.695 62.300 -0.149 0.000 1.035 311 V CB -0.775 30.836 31.823 -0.353 0.000 0.658 311 V HN 0.138 nan 8.190 nan 0.000 0.452 312 I N 0.000 120.528 120.570 -0.070 0.000 2.099 312 I HA -0.309 3.861 4.170 0.001 0.000 0.239 312 I C 2.630 178.824 176.117 0.128 0.000 1.066 312 I CA 2.097 63.446 61.300 0.082 0.000 1.324 312 I CB -0.464 37.590 38.000 0.090 0.000 1.037 312 I HN 0.259 nan 8.210 nan 0.000 0.401 313 K N 0.867 121.300 120.400 0.056 0.000 2.074 313 K HA -0.291 4.030 4.320 0.001 0.000 0.209 313 K C 2.101 178.699 176.600 -0.004 0.000 1.048 313 K CA 2.017 58.270 56.287 -0.058 0.000 0.926 313 K CB -0.122 32.232 32.500 -0.242 0.000 0.713 313 K HN 0.314 nan 8.250 nan 0.000 0.444 314 E N 0.073 120.305 120.200 0.053 0.000 2.072 314 E HA -0.188 4.162 4.350 0.001 0.000 0.191 314 E C 1.852 178.473 176.600 0.034 0.000 0.985 314 E CA 0.859 57.291 56.400 0.052 0.000 0.801 314 E CB 0.146 29.887 29.700 0.067 0.000 0.750 314 E HN 0.252 nan 8.360 nan 0.000 0.452 315 E N 0.644 120.872 120.200 0.046 0.000 2.077 315 E HA -0.168 4.182 4.350 0.001 0.000 0.193 315 E C 2.134 178.782 176.600 0.082 0.000 0.989 315 E CA 0.536 56.973 56.400 0.062 0.000 0.800 315 E CB -0.094 29.642 29.700 0.061 0.000 0.746 315 E HN 0.341 nan 8.360 nan 0.000 0.452 316 I N 1.382 121.999 120.570 0.077 0.000 2.163 316 I HA -0.280 3.891 4.170 0.001 0.000 0.243 316 I C 2.168 178.265 176.117 -0.034 0.000 1.085 316 I CA 1.357 62.638 61.300 -0.032 0.000 1.347 316 I CB -0.771 37.159 38.000 -0.116 0.000 1.044 316 I HN 0.097 nan 8.210 nan 0.000 0.408 317 K N -0.107 120.276 120.400 -0.027 0.000 2.147 317 K HA -0.193 4.127 4.320 0.001 0.000 0.205 317 K C 2.198 178.787 176.600 -0.018 0.000 1.049 317 K CA 1.013 57.283 56.287 -0.028 0.000 0.936 317 K CB -0.160 32.328 32.500 -0.020 0.000 0.722 317 K HN 0.233 nan 8.250 nan 0.000 0.446 318 R N 0.936 121.432 120.500 -0.006 0.000 2.075 318 R HA -0.097 4.244 4.340 0.001 0.000 0.232 318 R C 2.098 178.388 176.300 -0.017 0.000 1.126 318 R CA 0.977 57.074 56.100 -0.005 0.000 0.963 318 R CB -0.061 30.241 30.300 0.004 0.000 0.858 318 R HN -0.041 nan 8.270 nan 0.000 0.435 319 V N 1.483 121.387 119.914 -0.017 0.000 2.358 319 V HA -0.221 3.900 4.120 0.001 0.000 0.246 319 V C 2.127 178.192 176.094 -0.049 0.000 1.047 319 V CA 1.822 64.101 62.300 -0.034 0.000 1.035 319 V CB -0.342 31.467 31.823 -0.024 0.000 0.658 319 V HN 0.362 nan 8.190 nan 0.000 0.452 320 K N -0.286 120.087 120.400 -0.044 0.000 2.097 320 K HA -0.218 4.103 4.320 0.001 0.000 0.205 320 K C 2.241 178.812 176.600 -0.047 0.000 1.050 320 K CA 1.382 57.640 56.287 -0.049 0.000 0.938 320 K CB -0.170 32.302 32.500 -0.047 0.000 0.718 320 K HN 0.325 nan 8.250 nan 0.000 0.442 321 Q N 1.242 121.019 119.800 -0.039 0.000 2.124 321 Q HA -0.074 4.267 4.340 0.001 0.000 0.202 321 Q C 1.817 177.792 176.000 -0.041 0.000 0.977 321 Q CA 1.809 57.591 55.803 -0.035 0.000 0.850 321 Q CB -0.243 28.482 28.738 -0.023 0.000 0.901 321 Q HN 0.285 nan 8.270 nan 0.000 0.429 322 A N -0.018 122.774 122.820 -0.046 0.000 1.930 322 A HA -0.091 4.230 4.320 0.001 0.000 0.217 322 A C 2.134 179.668 177.584 -0.082 0.000 1.175 322 A CA 1.279 53.281 52.037 -0.058 0.000 0.627 322 A CB -0.612 18.350 19.000 -0.063 0.000 0.815 322 A HN 0.464 nan 8.150 nan 0.000 0.443 323 I N -1.024 119.494 120.570 -0.088 0.000 2.202 323 I HA -0.221 3.950 4.170 0.001 0.000 0.242 323 I C 2.465 178.534 176.117 -0.079 0.000 1.091 323 I CA 1.548 62.790 61.300 -0.097 0.000 1.368 323 I CB -0.146 37.800 38.000 -0.090 0.000 1.058 323 I HN 0.148 nan 8.210 nan 0.000 0.410 324 K N 1.043 121.404 120.400 -0.066 0.000 2.152 324 K HA -0.178 4.143 4.320 0.001 0.000 0.206 324 K C 1.723 178.282 176.600 -0.068 0.000 1.048 324 K CA 1.406 57.657 56.287 -0.061 0.000 0.933 324 K CB -0.078 32.392 32.500 -0.050 0.000 0.721 324 K HN 0.385 nan 8.250 nan 0.000 0.447 325 E N -1.576 118.584 120.200 -0.067 0.000 2.478 325 E HA 0.104 4.455 4.350 0.001 0.000 0.194 325 E C 0.572 177.122 176.600 -0.084 0.000 1.045 325 E CA 0.437 56.796 56.400 -0.069 0.000 0.868 325 E CB 0.383 30.052 29.700 -0.052 0.000 0.885 325 E HN 0.390 nan 8.360 nan 0.000 0.505 326 G N 2.102 110.848 108.800 -0.090 0.000 2.182 326 G HA2 -0.253 3.707 3.960 0.001 0.000 0.248 326 G HA3 -0.253 3.707 3.960 0.001 0.000 0.248 326 G C 0.291 175.140 174.900 -0.085 0.000 1.042 326 G CA 0.118 45.164 45.100 -0.090 0.000 0.775 326 G HN 0.223 nan 8.290 nan 0.000 0.501 327 E N -0.561 119.583 120.200 -0.094 0.000 2.734 327 E HA 0.250 4.600 4.350 0.001 0.000 0.211 327 E C 2.104 178.636 176.600 -0.113 0.000 0.991 327 E CA -0.558 55.793 56.400 -0.083 0.000 1.065 327 E CB 0.276 29.951 29.700 -0.043 0.000 1.047 327 E HN 0.515 nan 8.360 nan 0.000 0.470 328 L N -0.586 120.517 121.223 -0.200 0.000 1.989 328 L HA -0.152 4.189 4.340 0.001 0.000 0.211 328 L C 1.801 178.480 176.870 -0.318 0.000 1.071 328 L CA 1.754 56.421 54.840 -0.288 0.000 0.749 328 L CB -0.157 41.644 42.059 -0.429 0.000 0.890 328 L HN 0.340 nan 8.230 nan 0.000 0.431 329 W N -0.255 120.843 121.300 -0.336 0.000 2.338 329 W HA -0.245 4.416 4.660 0.001 0.000 0.304 329 W C 2.819 179.164 176.519 -0.291 0.000 1.212 329 W CA 0.749 57.775 57.345 -0.531 0.000 1.264 329 W CB -0.277 28.345 29.460 -1.397 0.000 1.142 329 W HN 0.135 nan 8.180 nan 0.000 0.512 330 R N 0.941 121.449 120.500 0.013 0.000 2.120 330 R HA -0.186 4.155 4.340 0.001 0.000 0.234 330 R C 1.941 178.349 176.300 0.179 0.000 1.123 330 R CA 1.556 57.825 56.100 0.282 0.000 0.975 330 R CB -0.872 29.595 30.300 0.277 0.000 0.866 330 R HN 0.325 nan 8.270 nan 0.000 0.446 331 L N 0.517 121.774 121.223 0.057 0.000 2.095 331 L HA -0.059 4.281 4.340 0.001 0.000 0.204 331 L C 2.252 179.110 176.870 -0.020 0.000 1.080 331 L CA 1.228 56.077 54.840 0.015 0.000 0.759 331 L CB -0.433 41.609 42.059 -0.028 0.000 0.914 331 L HN -0.104 nan 8.230 nan 0.000 0.439 332 V N 0.178 120.066 119.914 -0.044 0.000 2.287 332 V HA -0.330 3.790 4.120 0.001 0.000 0.248 332 V C 2.457 178.386 176.094 -0.275 0.000 1.053 332 V CA 2.171 64.405 62.300 -0.110 0.000 1.027 332 V CB -0.869 30.959 31.823 0.007 0.000 0.646 332 V HN 0.584 nan 8.190 nan 0.000 0.447 333 D N -0.224 120.075 120.400 -0.168 0.000 2.092 333 D HA -0.245 4.396 4.640 0.001 0.000 0.193 333 D C 2.235 178.503 176.300 -0.054 0.000 0.994 333 D CA 1.868 55.765 54.000 -0.172 0.000 0.828 333 D CB 0.054 41.056 40.800 0.336 0.000 0.963 333 D HN 0.634 nan 8.370 nan 0.000 0.450 334 E N -0.068 120.148 120.200 0.027 0.000 2.070 334 E HA -0.222 4.129 4.350 0.001 0.000 0.197 334 E C 2.179 178.773 176.600 -0.010 0.000 1.004 334 E CA 0.921 57.338 56.400 0.027 0.000 0.805 334 E CB 0.127 29.854 29.700 0.045 0.000 0.744 334 E HN 0.079 nan 8.360 nan 0.000 0.451 335 R N -0.051 120.423 120.500 -0.042 0.000 2.115 335 R HA -0.036 4.304 4.340 0.001 0.000 0.230 335 R C 2.213 178.482 176.300 -0.052 0.000 1.111 335 R CA 0.954 57.022 56.100 -0.053 0.000 0.976 335 R CB -0.790 29.463 30.300 -0.077 0.000 0.870 335 R HN 0.275 nan 8.270 nan 0.000 0.445 336 A N 1.594 124.363 122.820 -0.085 0.000 2.076 336 A HA -0.148 4.173 4.320 0.001 0.000 0.220 336 A C 1.645 179.291 177.584 0.104 0.000 1.160 336 A CA 1.122 53.175 52.037 0.027 0.000 0.653 336 A CB -0.213 18.797 19.000 0.018 0.000 0.801 336 A HN 0.103 nan 8.150 nan 0.000 0.455 337 R N 0.399 120.917 120.500 0.030 0.000 2.319 337 R HA 0.122 4.462 4.340 0.001 0.000 0.204 337 R C 1.395 177.722 176.300 0.045 0.000 0.954 337 R CA 0.829 56.931 56.100 0.003 0.000 1.066 337 R CB -0.942 29.342 30.300 -0.027 0.000 0.991 337 R HN 0.526 nan 8.270 nan 0.000 0.486 338 S N -0.250 115.496 115.700 0.077 0.000 2.436 338 S HA -0.029 4.441 4.470 0.001 0.000 0.228 338 S C 0.583 175.314 174.600 0.219 0.000 1.014 338 S CA 0.732 59.002 58.200 0.117 0.000 0.950 338 S CB -0.046 63.206 63.200 0.087 0.000 0.784 338 S HN 0.414 nan 8.310 nan 0.000 0.504 339 H N -0.889 118.260 119.070 0.132 0.000 3.079 339 H HA 0.223 4.780 4.556 0.001 0.000 0.356 339 H C -2.854 172.625 175.328 0.252 0.000 1.221 339 H CA -1.347 54.829 56.048 0.213 0.000 1.185 339 H CB 1.712 31.662 29.762 0.312 0.000 1.882 339 H HN -0.235 nan 8.280 nan 0.000 0.543 340 P HA -0.137 nan 4.420 nan 0.000 0.216 340 P C 1.234 178.830 177.300 0.493 0.000 1.150 340 P CA 1.215 64.505 63.100 0.316 0.000 0.837 340 P CB 0.483 32.264 31.700 0.135 0.000 0.786 341 K N -0.773 120.083 120.400 0.760 0.000 2.155 341 K HA 0.005 4.325 4.320 0.001 0.000 0.203 341 K C 2.034 178.962 176.600 0.547 0.000 1.052 341 K CA 0.759 57.371 56.287 0.542 0.000 0.948 341 K CB -1.031 31.715 32.500 0.410 0.000 0.728 341 K HN 0.263 nan 8.250 nan 0.000 0.448 342 L N -0.065 121.480 121.223 0.537 0.000 2.131 342 L HA -0.150 4.190 4.340 0.001 0.000 0.206 342 L C 2.390 179.464 176.870 0.340 0.000 1.087 342 L CA 1.044 56.043 54.840 0.265 0.000 0.767 342 L CB -0.270 41.791 42.059 0.003 0.000 0.917 342 L HN 0.103 nan 8.230 nan 0.000 0.441 343 Y N -0.078 120.376 120.300 0.256 0.000 2.181 343 Y HA -0.265 4.286 4.550 0.001 0.000 0.288 343 Y C 2.898 178.958 175.900 0.266 0.000 1.146 343 Y CA 1.578 59.843 58.100 0.274 0.000 1.164 343 Y CB -0.557 38.033 38.460 0.217 0.000 0.982 343 Y HN 0.126 nan 8.280 nan 0.000 0.515 344 S N -0.025 115.747 115.700 0.119 0.000 2.368 344 S HA -0.184 4.287 4.470 0.001 0.000 0.225 344 S C 2.278 176.916 174.600 0.064 0.000 1.030 344 S CA 1.388 59.581 58.200 -0.011 0.000 0.999 344 S CB -0.808 62.449 63.200 0.094 0.000 0.844 344 S HN 0.623 nan 8.310 nan 0.000 0.459 345 A N 0.132 123.069 122.820 0.195 0.000 1.930 345 A HA -0.005 4.316 4.320 0.001 0.000 0.217 345 A C 2.031 179.773 177.584 0.264 0.000 1.175 345 A CA 1.552 53.726 52.037 0.229 0.000 0.627 345 A CB -1.106 18.068 19.000 0.290 0.000 0.815 345 A HN 0.754 nan 8.150 nan 0.000 0.443 346 Y N 0.935 121.328 120.300 0.154 0.000 2.145 346 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 346 Y C 2.058 178.053 175.900 0.157 0.000 1.145 346 Y CA 2.131 60.354 58.100 0.205 0.000 1.148 346 Y CB -0.496 38.121 38.460 0.261 0.000 0.981 346 Y HN 0.280 nan 8.280 nan 0.000 0.507 347 K N -0.388 119.925 120.400 -0.145 0.000 2.097 347 K HA -0.182 4.138 4.320 0.001 0.000 0.205 347 K C 2.248 178.761 176.600 -0.145 0.000 1.050 347 K CA 1.350 57.458 56.287 -0.298 0.000 0.938 347 K CB -0.165 32.135 32.500 -0.334 0.000 0.718 347 K HN 0.064 nan 8.250 nan 0.000 0.442 348 R N 1.416 121.895 120.500 -0.036 0.000 2.075 348 R HA -0.091 4.250 4.340 0.001 0.000 0.232 348 R C 1.989 178.341 176.300 0.088 0.000 1.126 348 R CA 1.151 57.254 56.100 0.005 0.000 0.963 348 R CB -0.842 29.502 30.300 0.073 0.000 0.858 348 R HN 0.154 nan 8.270 nan 0.000 0.435 349 L N 0.366 121.720 121.223 0.219 0.000 2.079 349 L HA -0.060 4.281 4.340 0.001 0.000 0.210 349 L C 1.813 178.865 176.870 0.303 0.000 1.081 349 L CA 1.774 56.842 54.840 0.381 0.000 0.752 349 L CB -0.430 41.893 42.059 0.440 0.000 0.896 349 L HN 0.314 nan 8.230 nan 0.000 0.433 350 L N -0.940 120.341 121.223 0.096 0.000 2.465 350 L HA -0.111 4.229 4.340 0.001 0.000 0.224 350 L C 2.263 179.145 176.870 0.020 0.000 1.145 350 L CA 0.619 55.463 54.840 0.008 0.000 0.834 350 L CB -0.473 41.483 42.059 -0.171 0.000 0.944 350 L HN 0.373 nan 8.230 nan 0.000 0.451 351 E N -0.901 119.273 120.200 -0.044 0.000 2.208 351 E HA -0.106 4.244 4.350 0.001 0.000 0.193 351 E C 0.596 177.151 176.600 -0.075 0.000 0.988 351 E CA 0.402 56.733 56.400 -0.115 0.000 0.828 351 E CB 0.134 29.694 29.700 -0.234 0.000 0.763 351 E HN 0.516 nan 8.360 nan 0.000 0.478 352 H N 0.186 119.354 119.070 0.162 0.000 2.983 352 H HA -0.036 4.521 4.556 0.001 0.000 0.222 352 H C 0.559 176.045 175.328 0.263 0.000 1.828 352 H CA 0.026 56.201 56.048 0.212 0.000 1.309 352 H CB -0.402 29.501 29.762 0.236 0.000 1.644 352 H HN 0.285 nan 8.280 nan 0.000 0.561 353 Y N 2.079 122.479 120.300 0.167 0.000 2.128 353 Y HA -0.285 4.266 4.550 0.001 0.000 0.284 353 Y C 2.058 178.033 175.900 0.124 0.000 1.154 353 Y CA 1.905 60.076 58.100 0.118 0.000 1.149 353 Y CB -0.204 38.285 38.460 0.049 0.000 0.976 353 Y HN 0.176 nan 8.280 nan 0.000 0.505 354 T N 1.090 115.625 114.554 -0.032 0.000 2.684 354 T HA -0.258 4.093 4.350 0.001 0.000 0.267 354 T C 1.572 176.199 174.700 -0.122 0.000 1.036 354 T CA 1.824 63.833 62.100 -0.152 0.000 1.148 354 T CB -0.912 67.975 68.868 0.032 0.000 0.863 354 T HN 0.490 nan 8.240 nan 0.000 0.436 355 F N 1.746 121.668 119.950 -0.046 0.000 2.075 355 F HA -0.041 4.486 4.527 0.001 0.000 0.297 355 F C 1.926 177.715 175.800 -0.019 0.000 1.113 355 F CA 1.216 59.207 58.000 -0.015 0.000 1.218 355 F CB -0.617 38.441 39.000 0.098 0.000 0.984 355 F HN 0.057 nan 8.300 nan 0.000 0.472 356 L N 0.175 121.309 121.223 -0.148 0.000 2.046 356 L HA -0.174 4.166 4.340 0.001 0.000 0.208 356 L C 2.618 179.368 176.870 -0.200 0.000 1.077 356 L CA 1.631 56.388 54.840 -0.137 0.000 0.747 356 L CB -0.946 41.256 42.059 0.238 0.000 0.896 356 L HN 0.207 nan 8.230 nan 0.000 0.432 357 E N 0.901 120.892 120.200 -0.348 0.000 2.153 357 E HA -0.286 4.064 4.350 0.001 0.000 0.194 357 E C 1.928 178.324 176.600 -0.340 0.000 0.988 357 E CA 1.463 57.640 56.400 -0.372 0.000 0.811 357 E CB 0.125 29.344 29.700 -0.802 0.000 0.746 357 E HN 0.594 nan 8.360 nan 0.000 0.466 358 E N -1.009 118.880 120.200 -0.517 0.000 2.153 358 E HA -0.153 4.198 4.350 0.001 0.000 0.194 358 E C 1.443 177.667 176.600 -0.628 0.000 0.988 358 E CA 1.087 57.105 56.400 -0.636 0.000 0.811 358 E CB -0.201 28.949 29.700 -0.915 0.000 0.746 358 E HN 0.305 nan 8.360 nan 0.000 0.466 359 F N 0.180 120.008 119.950 -0.202 0.000 2.731 359 F HA 0.226 4.753 4.527 0.001 0.000 0.298 359 F C 0.660 176.418 175.800 -0.070 0.000 1.106 359 F CA -0.671 57.242 58.000 -0.145 0.000 1.329 359 F CB 0.440 39.321 39.000 -0.199 0.000 1.100 359 F HN -0.094 nan 8.300 nan 0.000 0.592 360 E N 3.119 123.370 120.200 0.084 0.000 2.351 360 E HA 0.112 4.463 4.350 0.001 0.000 0.266 360 E C -2.416 174.258 176.600 0.122 0.000 1.031 360 E CA -2.204 54.275 56.400 0.131 0.000 0.911 360 E CB 0.388 30.173 29.700 0.142 0.000 0.986 360 E HN -0.058 nan 8.360 nan 0.000 0.446 361 P HA -0.058 nan 4.420 nan 0.000 0.268 361 P C 0.283 177.684 177.300 0.168 0.000 1.208 361 P CA -0.046 63.173 63.100 0.198 0.000 0.777 361 P CB 0.506 32.334 31.700 0.215 0.000 0.875 362 I N 0.477 121.147 120.570 0.167 0.000 2.584 362 I HA 0.023 4.193 4.170 0.001 0.000 0.255 362 I C 0.743 176.925 176.117 0.109 0.000 1.145 362 I CA 1.632 63.013 61.300 0.136 0.000 1.462 362 I CB 0.104 38.165 38.000 0.102 0.000 1.102 362 I HN 0.267 nan 8.210 nan 0.000 0.433 363 T N 0.341 114.840 114.554 -0.091 0.000 2.903 363 T HA 0.546 4.897 4.350 0.001 0.000 0.299 363 T C -0.963 173.373 174.700 -0.607 0.000 1.093 363 T CA -0.704 61.098 62.100 -0.496 0.000 1.002 363 T CB 1.055 69.718 68.868 -0.342 0.000 1.127 363 T HN 0.050 nan 8.240 nan 0.000 0.488 364 K N 1.724 121.579 120.400 -0.908 0.000 2.512 364 K HA 0.409 4.729 4.320 0.001 0.000 0.263 364 K C 0.789 177.150 176.600 -0.399 0.000 0.966 364 K CA -1.023 54.960 56.287 -0.507 0.000 0.851 364 K CB 2.265 34.616 32.500 -0.248 0.000 1.395 364 K HN 0.598 nan 8.250 nan 0.000 0.440 365 K N -0.217 120.031 120.400 -0.254 0.000 2.031 365 K HA -0.031 4.289 4.320 0.001 0.000 0.205 365 K C 0.881 177.418 176.600 -0.105 0.000 1.049 365 K CA 0.786 56.973 56.287 -0.167 0.000 0.939 365 K CB -0.218 32.199 32.500 -0.138 0.000 0.717 365 K HN 0.516 nan 8.250 nan 0.000 0.438 366 S N 1.076 116.717 115.700 -0.098 0.000 2.572 366 S HA 0.396 4.867 4.470 0.001 0.000 0.279 366 S C 0.223 174.802 174.600 -0.035 0.000 1.341 366 S CA -0.747 57.396 58.200 -0.095 0.000 1.043 366 S CB 1.008 64.131 63.200 -0.127 0.000 0.887 366 S HN 0.361 nan 8.310 nan 0.000 0.516 367 A N 3.080 125.828 122.820 -0.120 0.000 2.322 367 A HA 0.480 4.801 4.320 0.001 0.000 0.269 367 A C 0.147 177.675 177.584 -0.093 0.000 1.094 367 A CA -0.822 51.200 52.037 -0.025 0.000 0.807 367 A CB 0.149 19.160 19.000 0.019 0.000 1.047 367 A HN 1.009 nan 8.150 nan 0.000 0.487 368 L N 2.638 123.930 121.223 0.115 0.000 2.385 368 L HA 0.315 4.655 4.340 0.001 0.000 0.281 368 L C -1.069 176.004 176.870 0.338 0.000 1.106 368 L CA -0.007 54.948 54.840 0.192 0.000 0.856 368 L CB -0.350 41.786 42.059 0.128 0.000 1.186 368 L HN 0.668 nan 8.230 nan 0.000 0.453 369 F N 4.333 124.432 119.950 0.247 0.000 2.410 369 F HA 0.211 4.739 4.527 0.001 0.000 0.349 369 F C 0.419 176.229 175.800 0.017 0.000 1.117 369 F CA -1.196 56.895 58.000 0.152 0.000 1.104 369 F CB 1.494 40.614 39.000 0.201 0.000 1.122 369 F HN 0.422 nan 8.300 nan 0.000 0.483 370 K N 5.873 126.337 120.400 0.106 0.000 2.206 370 K HA 0.244 4.565 4.320 0.001 0.000 0.268 370 K C 0.050 176.601 176.600 -0.081 0.000 1.111 370 K CA -0.041 56.189 56.287 -0.095 0.000 0.955 370 K CB -0.333 32.101 32.500 -0.109 0.000 1.406 370 K HN 0.685 nan 8.250 nan 0.000 0.427 371 I N 0.135 120.658 120.570 -0.079 0.000 4.082 371 I HA 0.289 4.459 4.170 0.001 0.000 0.337 371 I C -0.095 176.002 176.117 -0.034 0.000 1.352 371 I CA -0.529 60.759 61.300 -0.020 0.000 1.097 371 I CB -0.038 38.025 38.000 0.106 0.000 1.048 371 I HN 0.459 nan 8.210 nan 0.000 0.393 372 S N -0.690 114.947 115.700 -0.105 0.000 2.669 372 S HA 0.259 4.729 4.470 0.001 0.000 0.266 372 S C -0.116 174.408 174.600 -0.126 0.000 1.149 372 S CA -0.465 57.696 58.200 -0.065 0.000 0.842 372 S CB 1.407 64.628 63.200 0.034 0.000 1.160 372 S HN 0.085 nan 8.310 nan 0.000 0.487 373 N N 0.507 119.168 118.700 -0.066 0.000 2.135 373 N HA 0.042 4.783 4.740 0.001 0.000 0.186 373 N C 1.272 176.689 175.510 -0.155 0.000 1.027 373 N CA 1.756 54.751 53.050 -0.093 0.000 0.849 373 N CB -0.293 38.179 38.487 -0.026 0.000 1.002 373 N HN 0.652 nan 8.380 nan 0.000 0.425 374 E N -0.412 119.730 120.200 -0.096 0.000 2.204 374 E HA -0.088 4.263 4.350 0.001 0.000 0.195 374 E C 1.776 178.114 176.600 -0.437 0.000 0.990 374 E CA 0.487 56.778 56.400 -0.181 0.000 0.821 374 E CB -0.405 29.254 29.700 -0.069 0.000 0.750 374 E HN 0.160 nan 8.360 nan 0.000 0.477 375 S N -0.140 115.190 115.700 -0.616 0.000 2.400 375 S HA -0.108 4.363 4.470 0.001 0.000 0.232 375 S C 1.613 175.574 174.600 -1.066 0.000 1.025 375 S CA 0.790 58.130 58.200 -1.434 0.000 0.993 375 S CB -0.142 62.443 63.200 -1.025 0.000 0.808 375 S HN 0.236 nan 8.310 nan 0.000 0.478 376 L N -0.075 120.797 121.223 -0.584 0.000 2.291 376 L HA 0.094 4.434 4.340 0.001 0.000 0.214 376 L C 2.194 178.866 176.870 -0.329 0.000 1.120 376 L CA 0.803 55.390 54.840 -0.422 0.000 0.799 376 L CB -0.213 41.658 42.059 -0.313 0.000 0.925 376 L HN 0.111 nan 8.230 nan 0.000 0.446 377 R N -1.393 118.917 120.500 -0.316 0.000 2.359 377 R HA 0.034 4.375 4.340 0.001 0.000 0.231 377 R C -0.242 175.998 176.300 -0.101 0.000 0.913 377 R CA -0.285 55.692 56.100 -0.205 0.000 1.075 377 R CB 0.077 30.261 30.300 -0.194 0.000 1.087 377 R HN 0.086 nan 8.270 nan 0.000 0.515 378 W N 1.051 122.185 121.300 -0.276 0.000 2.170 378 W HA 0.087 4.748 4.660 0.001 0.000 0.342 378 W C -1.467 174.917 176.519 -0.225 0.000 1.294 378 W CA -2.433 54.670 57.345 -0.403 0.000 1.246 378 W CB -0.400 28.837 29.460 -0.371 0.000 1.156 378 W HN -0.016 nan 8.180 nan 0.000 0.572 379 P HA -0.245 nan 4.420 nan 0.000 0.215 379 P C 1.685 179.138 177.300 0.256 0.000 1.163 379 P CA 2.069 65.314 63.100 0.242 0.000 0.894 379 P CB 0.119 31.933 31.700 0.190 0.000 0.791 380 V N -0.787 119.244 119.914 0.195 0.000 2.392 380 V HA -0.199 3.921 4.120 0.001 0.000 0.249 380 V C 2.422 178.598 176.094 0.136 0.000 1.059 380 V CA 1.709 64.112 62.300 0.172 0.000 1.051 380 V CB -1.112 30.817 31.823 0.176 0.000 0.658 380 V HN -0.013 nan 8.190 nan 0.000 0.455 381 V N -0.214 119.783 119.914 0.138 0.000 2.323 381 V HA -0.203 3.918 4.120 0.001 0.000 0.244 381 V C 2.541 178.717 176.094 0.135 0.000 1.041 381 V CA 1.931 64.310 62.300 0.132 0.000 1.025 381 V CB -0.717 31.048 31.823 -0.096 0.000 0.656 381 V HN 0.459 nan 8.190 nan 0.000 0.451 382 R N -0.258 120.243 120.500 0.002 0.000 2.092 382 R HA -0.132 4.209 4.340 0.001 0.000 0.231 382 R C 2.516 178.792 176.300 -0.039 0.000 1.119 382 R CA 1.411 57.415 56.100 -0.159 0.000 0.970 382 R CB -0.375 29.569 30.300 -0.593 0.000 0.864 382 R HN 0.433 nan 8.270 nan 0.000 0.440 383 R N 0.911 121.499 120.500 0.146 0.000 2.066 383 R HA -0.087 4.254 4.340 0.001 0.000 0.232 383 R C 2.144 178.518 176.300 0.123 0.000 1.131 383 R CA 1.492 57.713 56.100 0.201 0.000 0.955 383 R CB -0.215 30.209 30.300 0.207 0.000 0.851 383 R HN 0.200 nan 8.270 nan 0.000 0.432 384 A N 1.466 124.350 122.820 0.106 0.000 1.902 384 A HA -0.165 4.155 4.320 0.001 0.000 0.217 384 A C 2.015 179.681 177.584 0.137 0.000 1.181 384 A CA 1.529 53.619 52.037 0.089 0.000 0.623 384 A CB -0.376 18.409 19.000 -0.358 0.000 0.818 384 A HN 0.346 nan 8.150 nan 0.000 0.443 385 K N -0.398 120.090 120.400 0.147 0.000 1.977 385 K HA -0.225 4.096 4.320 0.001 0.000 0.218 385 K C 2.042 178.702 176.600 0.100 0.000 1.051 385 K CA 1.969 58.346 56.287 0.151 0.000 0.953 385 K CB -0.349 32.236 32.500 0.142 0.000 0.727 385 K HN 0.611 nan 8.250 nan 0.000 0.445 386 E N 0.366 120.610 120.200 0.073 0.000 2.068 386 E HA -0.253 4.098 4.350 0.001 0.000 0.207 386 E C 2.161 178.811 176.600 0.083 0.000 1.032 386 E CA 1.655 58.093 56.400 0.063 0.000 0.839 386 E CB -0.090 29.645 29.700 0.059 0.000 0.758 386 E HN 0.214 nan 8.360 nan 0.000 0.457 387 R N -0.018 120.544 120.500 0.103 0.000 2.096 387 R HA -0.167 4.173 4.340 0.001 0.000 0.240 387 R C 2.380 178.792 176.300 0.188 0.000 1.139 387 R CA 1.263 57.429 56.100 0.111 0.000 0.952 387 R CB -0.431 29.876 30.300 0.012 0.000 0.854 387 R HN 0.170 nan 8.270 nan 0.000 0.436 388 A N 1.443 124.398 122.820 0.225 0.000 2.019 388 A HA -0.157 4.164 4.320 0.001 0.000 0.219 388 A C 1.833 179.432 177.584 0.024 0.000 1.164 388 A CA 1.136 53.224 52.037 0.085 0.000 0.644 388 A CB -0.268 18.696 19.000 -0.060 0.000 0.805 388 A HN 0.230 nan 8.150 nan 0.000 0.449 389 K N 0.455 120.882 120.400 0.045 0.000 2.077 389 K HA -0.243 4.077 4.320 0.001 0.000 0.213 389 K C 2.442 179.067 176.600 0.042 0.000 1.051 389 K CA 2.043 58.350 56.287 0.034 0.000 0.929 389 K CB -0.360 32.164 32.500 0.039 0.000 0.715 389 K HN 0.719 nan 8.250 nan 0.000 0.451 390 S N 0.879 116.615 115.700 0.061 0.000 2.382 390 S HA -0.140 4.330 4.470 0.001 0.000 0.228 390 S C 2.016 176.682 174.600 0.110 0.000 1.027 390 S CA 1.073 59.320 58.200 0.078 0.000 0.991 390 S CB -0.390 62.861 63.200 0.086 0.000 0.823 390 S HN 0.092 nan 8.310 nan 0.000 0.469 391 I N 3.635 124.262 120.570 0.095 0.000 2.226 391 I HA -0.110 4.060 4.170 0.001 0.000 0.245 391 I C 2.204 178.401 176.117 0.134 0.000 1.100 391 I CA 1.009 62.378 61.300 0.114 0.000 1.374 391 I CB -0.799 37.139 38.000 -0.104 0.000 1.057 391 I HN 0.276 nan 8.210 nan 0.000 0.413 392 N N 0.221 118.943 118.700 0.037 0.000 2.244 392 N HA -0.191 4.550 4.740 0.001 0.000 0.183 392 N C 1.865 177.412 175.510 0.062 0.000 1.016 392 N CA 0.869 53.936 53.050 0.028 0.000 0.866 392 N CB -0.203 38.273 38.487 -0.018 0.000 0.980 392 N HN 0.351 nan 8.380 nan 0.000 0.430 393 E N 0.693 120.932 120.200 0.065 0.000 2.152 393 E HA -0.018 4.333 4.350 0.001 0.000 0.192 393 E C 1.916 178.542 176.600 0.042 0.000 0.983 393 E CA 0.747 57.176 56.400 0.047 0.000 0.818 393 E CB 0.251 29.975 29.700 0.040 0.000 0.758 393 E HN 0.262 nan 8.360 nan 0.000 0.467 394 R N -1.134 119.411 120.500 0.076 0.000 1.950 394 R HA 0.040 4.381 4.340 0.001 0.000 0.200 394 R C 1.680 177.953 176.300 -0.044 0.000 1.476 394 R CA 0.607 56.687 56.100 -0.034 0.000 1.145 394 R CB -0.611 29.605 30.300 -0.141 0.000 0.942 394 R HN 0.134 nan 8.270 nan 0.000 0.484 395 F N 2.062 121.975 119.950 -0.062 0.000 2.481 395 F HA 0.002 4.530 4.527 0.002 0.000 0.297 395 F C 1.794 177.654 175.800 0.100 0.000 1.095 395 F CA 1.015 58.966 58.000 -0.082 0.000 1.465 395 F CB -1.186 37.670 39.000 -0.240 0.000 1.098 395 F HN 0.569 nan 8.300 nan 0.000 0.585 396 G N 0.439 109.368 108.800 0.215 0.000 2.660 396 G HA2 -0.407 3.554 3.960 0.001 0.000 0.338 396 G HA3 -0.407 3.554 3.960 0.001 0.000 0.338 396 G C 0.408 175.397 174.900 0.148 0.000 1.336 396 G CA 0.436 45.621 45.100 0.143 0.000 0.990 396 G HN 0.346 nan 8.290 nan 0.000 0.537 397 E N -1.229 119.025 120.200 0.090 0.000 2.252 397 E HA -0.190 4.160 4.350 0.001 0.000 0.218 397 E C 0.581 177.146 176.600 -0.058 0.000 1.253 397 E CA 1.131 57.530 56.400 -0.002 0.000 0.705 397 E CB -1.841 27.799 29.700 -0.099 0.000 1.172 397 E HN 0.683 nan 8.360 nan 0.000 0.369 398 L N 0.421 121.631 121.223 -0.022 0.000 2.456 398 L HA 0.189 4.530 4.340 0.001 0.000 0.277 398 L C 0.972 177.833 176.870 -0.015 0.000 1.124 398 L CA -0.067 54.755 54.840 -0.030 0.000 0.880 398 L CB 0.502 42.556 42.059 -0.010 0.000 1.192 398 L HN 0.010 nan 8.230 nan 0.000 0.463 399 V N 4.430 124.338 119.914 -0.010 0.000 2.834 399 V HA 0.284 4.405 4.120 0.001 0.000 0.313 399 V C 0.292 176.451 176.094 0.110 0.000 1.060 399 V CA -0.605 61.727 62.300 0.052 0.000 0.989 399 V CB 2.137 34.010 31.823 0.083 0.000 1.041 399 V HN 0.775 nan 8.190 nan 0.000 0.459 400 E N 4.321 124.607 120.200 0.142 0.000 2.373 400 E HA 0.264 4.615 4.350 0.001 0.000 0.267 400 E C -0.869 175.880 176.600 0.248 0.000 1.032 400 E CA -0.065 56.429 56.400 0.157 0.000 0.889 400 E CB 0.517 30.288 29.700 0.117 0.000 0.984 400 E HN 0.614 nan 8.360 nan 0.000 0.425 401 H N 2.856 121.962 119.070 0.059 0.000 2.856 401 H HA 0.162 4.718 4.556 0.001 0.000 0.355 401 H C -2.232 173.088 175.328 -0.014 0.000 1.079 401 H CA -2.270 53.735 56.048 -0.072 0.000 1.240 401 H CB 2.051 31.700 29.762 -0.188 0.000 1.701 401 H HN 0.226 nan 8.280 nan 0.000 0.527 402 P HA -0.101 nan 4.420 nan 0.000 0.216 402 P C 1.339 178.658 177.300 0.033 0.000 1.153 402 P CA 1.399 64.489 63.100 -0.017 0.000 0.858 402 P CB 0.552 32.208 31.700 -0.073 0.000 0.789 403 I N -3.563 117.106 120.570 0.165 0.000 2.810 403 I HA -0.019 4.152 4.170 0.001 0.000 0.262 403 I C 1.308 177.183 176.117 -0.403 0.000 1.131 403 I CA 0.860 62.030 61.300 -0.217 0.000 1.453 403 I CB -0.215 37.485 38.000 -0.500 0.000 1.161 403 I HN -0.197 nan 8.210 nan 0.000 0.444 404 F N 0.835 120.777 119.950 -0.013 0.000 2.727 404 F HA 0.388 4.916 4.527 0.001 0.000 0.302 404 F C 1.861 177.647 175.800 -0.025 0.000 1.097 404 F CA 0.430 58.378 58.000 -0.086 0.000 1.330 404 F CB -0.151 38.753 39.000 -0.160 0.000 1.084 404 F HN 0.163 nan 8.300 nan 0.000 0.578 405 G N 1.201 110.099 108.800 0.165 0.000 5.266 405 G HA2 -0.339 3.622 3.960 0.001 0.000 0.262 405 G HA3 -0.339 3.622 3.960 0.001 0.000 0.262 405 G C 0.452 175.424 174.900 0.120 0.000 1.359 405 G CA 0.497 45.664 45.100 0.112 0.000 0.955 405 G HN 0.389 nan 8.290 nan 0.000 0.754 406 R N -0.004 120.551 120.500 0.093 0.000 2.628 406 R HA 0.838 5.179 4.340 0.001 0.000 0.288 406 R C -1.444 174.849 176.300 -0.012 0.000 0.980 406 R CA -0.476 55.653 56.100 0.048 0.000 0.891 406 R CB 1.745 32.061 30.300 0.027 0.000 1.188 406 R HN 1.319 nan 8.270 nan 0.000 0.450 407 V N 0.787 120.656 119.914 -0.076 0.000 2.924 407 V HA 0.306 4.427 4.120 0.001 0.000 0.300 407 V C -0.545 175.408 176.094 -0.234 0.000 1.227 407 V CA -0.510 61.646 62.300 -0.241 0.000 0.954 407 V CB 2.383 33.904 31.823 -0.503 0.000 1.055 407 V HN 1.039 nan 8.190 nan 0.000 0.429 408 S N 4.788 120.334 115.700 -0.257 0.000 2.558 408 S HA 0.077 4.548 4.470 0.001 0.000 0.293 408 S C 1.518 175.916 174.600 -0.335 0.000 1.292 408 S CA 0.773 58.848 58.200 -0.208 0.000 1.063 408 S CB 0.406 63.542 63.200 -0.107 0.000 0.831 408 S HN 1.011 nan 8.310 nan 0.000 0.499 409 R N 3.587 123.844 120.500 -0.406 0.000 2.193 409 R HA -0.133 4.208 4.340 0.001 0.000 0.229 409 R C 1.050 176.927 176.300 -0.705 0.000 1.110 409 R CA 1.910 57.731 56.100 -0.465 0.000 0.988 409 R CB -0.681 29.322 30.300 -0.496 0.000 0.871 409 R HN 0.793 nan 8.270 nan 0.000 0.458 410 Y N 0.907 120.824 120.300 -0.638 0.000 2.574 410 Y HA 0.050 4.601 4.550 0.001 0.000 0.294 410 Y C 1.693 177.199 175.900 -0.656 0.000 1.142 410 Y CA 0.514 57.964 58.100 -1.082 0.000 1.314 410 Y CB 0.161 38.064 38.460 -0.929 0.000 0.991 410 Y HN 0.013 nan 8.280 nan 0.000 0.555 411 L N -1.024 119.922 121.223 -0.462 0.000 2.664 411 L HA 0.048 4.388 4.340 0.001 0.000 0.233 411 L C 2.136 178.801 176.870 -0.342 0.000 1.113 411 L CA 0.412 54.940 54.840 -0.520 0.000 0.896 411 L CB -0.139 41.337 42.059 -0.973 0.000 1.163 411 L HN 0.141 nan 8.230 nan 0.000 0.497 412 S N 0.021 115.622 115.700 -0.165 0.000 2.500 412 S HA -0.086 4.385 4.470 0.001 0.000 0.239 412 S C 1.575 176.334 174.600 0.264 0.000 0.989 412 S CA 0.841 59.143 58.200 0.170 0.000 0.951 412 S CB -0.271 63.095 63.200 0.276 0.000 0.759 412 S HN 0.478 nan 8.310 nan 0.000 0.523 413 L N 0.618 121.949 121.223 0.181 0.000 2.554 413 L HA 0.235 4.575 4.340 0.001 0.000 0.225 413 L C 0.324 177.296 176.870 0.169 0.000 1.104 413 L CA 0.168 55.117 54.840 0.181 0.000 0.866 413 L CB 0.101 42.265 42.059 0.174 0.000 1.047 413 L HN 0.257 nan 8.230 nan 0.000 0.468 414 T N -1.627 113.022 114.554 0.158 0.000 2.918 414 T HA 0.252 4.602 4.350 0.001 0.000 0.286 414 T C -0.814 174.049 174.700 0.272 0.000 1.026 414 T CA -0.398 61.809 62.100 0.179 0.000 1.031 414 T CB 1.660 70.576 68.868 0.080 0.000 1.046 414 T HN -0.106 nan 8.240 nan 0.000 0.479 415 Y N 4.681 125.047 120.300 0.110 0.000 2.702 415 Y HA 0.184 4.734 4.550 0.001 0.000 0.336 415 Y C -1.486 174.362 175.900 -0.086 0.000 1.235 415 Y CA -1.236 56.890 58.100 0.044 0.000 1.492 415 Y CB 0.851 39.338 38.460 0.046 0.000 1.308 415 Y HN 0.360 nan 8.280 nan 0.000 0.589 416 P HA 0.035 nan 4.420 nan 0.000 0.268 416 P C 0.671 177.691 177.300 -0.466 0.000 1.329 416 P CA 0.421 62.844 63.100 -1.129 0.000 0.899 416 P CB -0.077 30.820 31.700 -1.339 0.000 1.378 417 F N 1.704 121.527 119.950 -0.212 0.000 2.075 417 F HA -0.138 4.390 4.527 0.001 0.000 0.297 417 F C 2.743 178.701 175.800 0.263 0.000 1.113 417 F CA 1.507 59.447 58.000 -0.100 0.000 1.218 417 F CB -1.771 37.008 39.000 -0.369 0.000 0.984 417 F HN -0.042 nan 8.300 nan 0.000 0.472 418 A N 0.371 123.475 122.820 0.474 0.000 1.849 418 A HA -0.300 4.020 4.320 0.001 0.000 0.217 418 A C 2.071 179.911 177.584 0.426 0.000 1.202 418 A CA 2.227 54.569 52.037 0.507 0.000 0.629 418 A CB -1.120 18.079 19.000 0.332 0.000 0.834 418 A HN 0.446 nan 8.150 nan 0.000 0.447 419 Q N 0.560 120.546 119.800 0.311 0.000 2.224 419 Q HA 0.055 4.396 4.340 0.001 0.000 0.203 419 Q C 1.371 177.538 176.000 0.278 0.000 0.970 419 Q CA 0.651 56.610 55.803 0.261 0.000 0.865 419 Q CB -0.597 28.278 28.738 0.229 0.000 0.922 419 Q HN 0.537 nan 8.270 nan 0.000 0.445 420 S N 0.721 116.594 115.700 0.289 0.000 2.631 420 S HA -0.171 4.299 4.470 0.001 0.000 0.311 420 S C -0.140 174.624 174.600 0.273 0.000 1.254 420 S CA 0.232 58.602 58.200 0.283 0.000 1.039 420 S CB 0.220 63.627 63.200 0.345 0.000 0.753 420 S HN 0.366 nan 8.310 nan 0.000 0.494 421 E N 2.170 122.540 120.200 0.285 0.000 2.304 421 E HA 0.630 4.981 4.350 0.001 0.000 0.277 421 E C -0.613 176.050 176.600 0.105 0.000 0.898 421 E CA -0.585 55.935 56.400 0.200 0.000 0.764 421 E CB 1.569 31.405 29.700 0.227 0.000 1.216 421 E HN 0.767 nan 8.360 nan 0.000 0.419 422 A N 3.227 126.061 122.820 0.024 0.000 3.458 422 A HA 0.428 4.748 4.320 0.001 0.000 0.205 422 A C 0.401 177.954 177.584 -0.052 0.000 1.060 422 A CA -0.292 51.727 52.037 -0.029 0.000 0.829 422 A CB 0.181 19.160 19.000 -0.035 0.000 1.419 422 A HN 0.626 nan 8.150 nan 0.000 0.644 423 E N 1.035 121.203 120.200 -0.052 0.000 2.209 423 E HA -0.044 4.306 4.350 0.001 0.000 0.196 423 E C -0.546 176.032 176.600 -0.035 0.000 0.993 423 E CA 1.524 57.894 56.400 -0.050 0.000 0.819 423 E CB -0.003 29.671 29.700 -0.043 0.000 0.745 423 E HN 0.474 nan 8.360 nan 0.000 0.477 424 D N 0.163 120.551 120.400 -0.021 0.000 2.879 424 D HA 0.136 4.777 4.640 0.001 0.000 0.236 424 D C -0.813 175.494 176.300 0.012 0.000 1.171 424 D CA -0.538 53.457 54.000 -0.008 0.000 0.868 424 D CB 1.577 42.375 40.800 -0.004 0.000 1.598 424 D HN -0.129 nan 8.370 nan 0.000 0.497 425 D N 0.695 121.106 120.400 0.019 0.000 2.400 425 D HA 0.070 4.710 4.640 0.001 0.000 0.238 425 D C -0.324 176.021 176.300 0.075 0.000 1.157 425 D CA 0.407 54.435 54.000 0.048 0.000 0.889 425 D CB 0.907 41.724 40.800 0.028 0.000 1.199 425 D HN 0.192 nan 8.370 nan 0.000 0.436 426 F N 1.411 121.316 119.950 -0.076 0.000 2.427 426 F HA 0.297 4.824 4.527 0.001 0.000 0.346 426 F C -0.171 175.598 175.800 -0.051 0.000 1.120 426 F CA -0.814 57.114 58.000 -0.121 0.000 1.033 426 F CB 0.839 39.671 39.000 -0.279 0.000 1.126 426 F HN -0.034 nan 8.300 nan 0.000 0.462 427 K N 7.502 127.468 120.400 -0.724 0.000 2.183 427 K HA 0.461 4.781 4.320 0.001 0.000 0.274 427 K C -0.412 175.596 176.600 -0.985 0.000 1.009 427 K CA -0.588 55.313 56.287 -0.643 0.000 0.888 427 K CB 1.505 33.815 32.500 -0.317 0.000 1.078 427 K HN 0.627 nan 8.250 nan 0.000 0.459 428 I N 2.100 122.301 120.570 -0.616 0.000 2.696 428 I HA 0.013 4.184 4.170 0.001 0.000 0.284 428 I C 0.279 176.270 176.117 -0.210 0.000 1.129 428 I CA -0.068 61.003 61.300 -0.382 0.000 1.410 428 I CB 0.573 38.495 38.000 -0.131 0.000 1.399 428 I HN 0.427 nan 8.210 nan 0.000 0.579 429 E N 5.363 125.508 120.200 -0.092 0.000 2.035 429 E HA 0.249 4.599 4.350 0.001 0.000 0.271 429 E C -0.909 175.703 176.600 0.020 0.000 0.953 429 E CA -0.432 55.949 56.400 -0.031 0.000 0.777 429 E CB 0.724 30.419 29.700 -0.008 0.000 1.104 429 E HN 0.263 nan 8.360 nan 0.000 0.408 430 K N 3.965 124.341 120.400 -0.040 0.000 2.326 430 K HA 0.249 4.570 4.320 0.001 0.000 0.275 430 K C -2.144 174.379 176.600 -0.128 0.000 1.018 430 K CA -1.585 54.645 56.287 -0.095 0.000 0.962 430 K CB 0.299 32.748 32.500 -0.085 0.000 0.953 430 K HN 0.280 nan 8.250 nan 0.000 0.475 431 P HA 0.010 nan 4.420 nan 0.000 0.272 431 P C -0.557 176.669 177.300 -0.123 0.000 1.240 431 P CA -0.405 62.478 63.100 -0.362 0.000 0.791 431 P CB 0.601 31.800 31.700 -0.834 0.000 0.978 432 T N -2.578 111.968 114.554 -0.013 0.000 2.925 432 T HA 0.360 4.710 4.350 0.001 0.000 0.285 432 T C 0.868 175.579 174.700 0.017 0.000 1.021 432 T CA -0.829 61.279 62.100 0.013 0.000 1.042 432 T CB 1.071 69.972 68.868 0.055 0.000 1.037 432 T HN 0.108 nan 8.240 nan 0.000 0.481 433 K N 0.178 120.585 120.400 0.012 0.000 2.442 433 K HA -0.081 4.240 4.320 0.001 0.000 0.200 433 K C 1.569 178.195 176.600 0.044 0.000 1.045 433 K CA 1.080 57.378 56.287 0.018 0.000 0.937 433 K CB 0.008 32.517 32.500 0.014 0.000 0.757 433 K HN 0.529 nan 8.250 nan 0.000 0.474 434 E N -0.081 120.157 120.200 0.064 0.000 2.251 434 E HA -0.022 4.329 4.350 0.001 0.000 0.194 434 E C 0.956 177.636 176.600 0.133 0.000 0.964 434 E CA 0.704 57.154 56.400 0.084 0.000 0.868 434 E CB 0.253 29.998 29.700 0.075 0.000 0.828 434 E HN 0.147 nan 8.360 nan 0.000 0.481 435 D N 0.124 120.639 120.400 0.191 0.000 2.289 435 D HA 0.046 4.687 4.640 0.001 0.000 0.207 435 D C 1.659 178.197 176.300 0.396 0.000 0.966 435 D CA 0.786 55.003 54.000 0.362 0.000 0.868 435 D CB 0.130 41.260 40.800 0.550 0.000 0.943 435 D HN 0.116 nan 8.370 nan 0.000 0.514 436 A N 1.508 124.440 122.820 0.187 0.000 1.906 436 A HA -0.284 4.037 4.320 0.001 0.000 0.222 436 A C 2.214 179.907 177.584 0.183 0.000 1.282 436 A CA 1.664 53.761 52.037 0.099 0.000 0.675 436 A CB -0.921 18.097 19.000 0.030 0.000 0.838 436 A HN 0.267 nan 8.150 nan 0.000 0.469 437 I N -0.298 120.365 120.570 0.154 0.000 2.163 437 I HA -0.232 3.938 4.170 0.001 0.000 0.243 437 I C 2.246 178.455 176.117 0.154 0.000 1.085 437 I CA 2.057 63.441 61.300 0.140 0.000 1.347 437 I CB -0.392 37.677 38.000 0.115 0.000 1.044 437 I HN 0.343 nan 8.210 nan 0.000 0.408 438 K N -0.804 119.684 120.400 0.147 0.000 2.127 438 K HA -0.256 4.064 4.320 0.001 0.000 0.208 438 K C 2.126 178.660 176.600 -0.110 0.000 1.047 438 K CA 2.016 58.300 56.287 -0.005 0.000 0.927 438 K CB -0.417 31.878 32.500 -0.342 0.000 0.716 438 K HN 0.345 nan 8.250 nan 0.000 0.450 439 Y N 0.338 120.643 120.300 0.008 0.000 2.133 439 Y HA -0.210 4.340 4.550 0.001 0.000 0.287 439 Y C 2.332 178.162 175.900 -0.116 0.000 1.134 439 Y CA 0.851 58.959 58.100 0.014 0.000 1.133 439 Y CB -0.674 37.834 38.460 0.079 0.000 0.987 439 Y HN -0.219 nan 8.280 nan 0.000 0.502 440 V N -0.022 119.946 119.914 0.090 0.000 2.392 440 V HA -0.375 3.746 4.120 0.001 0.000 0.249 440 V C 2.154 178.157 176.094 -0.152 0.000 1.059 440 V CA 2.087 64.347 62.300 -0.067 0.000 1.051 440 V CB -0.691 31.102 31.823 -0.050 0.000 0.658 440 V HN 0.447 nan 8.190 nan 0.000 0.455 441 M N -0.390 119.181 119.600 -0.048 0.000 2.123 441 M HA -0.040 4.441 4.480 0.001 0.000 0.263 441 M C 2.432 178.623 176.300 -0.183 0.000 1.069 441 M CA 1.890 57.210 55.300 0.033 0.000 1.133 441 M CB -0.540 32.233 32.600 0.290 0.000 1.356 441 M HN 0.356 nan 8.290 nan 0.000 0.415 442 A N 0.831 123.249 122.820 -0.670 0.000 1.902 442 A HA -0.144 4.176 4.320 0.001 0.000 0.217 442 A C 2.080 179.415 177.584 -0.415 0.000 1.181 442 A CA 1.516 52.944 52.037 -1.015 0.000 0.623 442 A CB -0.974 17.274 19.000 -1.253 0.000 0.818 442 A HN 0.447 nan 8.150 nan 0.000 0.443 443 I N -0.268 120.125 120.570 -0.295 0.000 2.179 443 I HA -0.304 3.866 4.170 0.001 0.000 0.242 443 I C 3.024 179.019 176.117 -0.203 0.000 1.088 443 I CA 1.116 62.309 61.300 -0.178 0.000 1.357 443 I CB -0.486 37.422 38.000 -0.153 0.000 1.051 443 I HN 0.368 nan 8.210 nan 0.000 0.409 444 A N 0.490 123.159 122.820 -0.251 0.000 1.873 444 A HA -0.307 4.013 4.320 0.001 0.000 0.218 444 A C 2.224 179.777 177.584 -0.051 0.000 1.193 444 A CA 2.305 54.216 52.037 -0.211 0.000 0.629 444 A CB -0.733 18.290 19.000 0.039 0.000 0.826 444 A HN 0.426 nan 8.150 nan 0.000 0.447 445 E N -1.505 118.716 120.200 0.035 0.000 2.085 445 E HA -0.226 4.124 4.350 0.001 0.000 0.194 445 E C 1.780 178.413 176.600 0.056 0.000 0.994 445 E CA 1.761 58.218 56.400 0.095 0.000 0.801 445 E CB -0.412 29.360 29.700 0.121 0.000 0.743 445 E HN 0.736 nan 8.360 nan 0.000 0.453 446 Y N 0.482 120.702 120.300 -0.134 0.000 2.220 446 Y HA -0.096 4.454 4.550 0.001 0.000 0.291 446 Y C 2.262 178.078 175.900 -0.140 0.000 1.129 446 Y CA 1.987 60.015 58.100 -0.120 0.000 1.161 446 Y CB -0.104 38.270 38.460 -0.142 0.000 0.997 446 Y HN 0.072 nan 8.280 nan 0.000 0.522 447 Q N -1.022 118.592 119.800 -0.310 0.000 2.163 447 Q HA -0.040 4.301 4.340 0.001 0.000 0.198 447 Q C 1.122 176.881 176.000 -0.401 0.000 0.954 447 Q CA 1.309 56.794 55.803 -0.529 0.000 0.851 447 Q CB -0.101 28.175 28.738 -0.770 0.000 0.928 447 Q HN 0.606 nan 8.270 nan 0.000 0.459 448 F N -0.576 119.377 119.950 0.005 0.000 2.678 448 F HA 0.388 4.916 4.527 0.001 0.000 0.305 448 F C 0.924 176.732 175.800 0.013 0.000 1.090 448 F CA -0.109 57.904 58.000 0.023 0.000 1.272 448 F CB 1.255 40.306 39.000 0.085 0.000 1.060 448 F HN 0.158 nan 8.300 nan 0.000 0.576 449 G N 1.325 110.199 108.800 0.124 0.000 2.712 449 G HA2 -0.187 3.774 3.960 0.001 0.000 0.683 449 G HA3 -0.187 3.774 3.960 0.001 0.000 0.683 449 G C -0.861 174.111 174.900 0.120 0.000 1.320 449 G CA -1.167 43.987 45.100 0.089 0.000 0.847 449 G HN 0.153 nan 8.290 nan 0.000 0.553 450 E N 0.417 120.673 120.200 0.093 0.000 2.568 450 E HA 0.412 4.763 4.350 0.001 0.000 0.262 450 E C 1.679 178.346 176.600 0.111 0.000 0.961 450 E CA 2.266 58.726 56.400 0.099 0.000 0.945 450 E CB 0.064 29.808 29.700 0.075 0.000 0.924 450 E HN 2.449 nan 8.360 nan 0.000 0.467 451 G N 3.222 112.096 108.800 0.123 0.000 2.320 451 G HA2 -0.399 3.561 3.960 0.001 0.000 0.242 451 G HA3 -0.399 3.561 3.960 0.001 0.000 0.242 451 G C 1.290 176.286 174.900 0.160 0.000 1.033 451 G CA 0.715 45.886 45.100 0.119 0.000 0.620 451 G HN 1.132 nan 8.290 nan 0.000 0.517 452 A N 1.178 124.126 122.820 0.212 0.000 1.971 452 A HA -0.022 4.299 4.320 0.001 0.000 0.222 452 A C 2.785 180.605 177.584 0.393 0.000 1.182 452 A CA 3.283 55.511 52.037 0.317 0.000 0.649 452 A CB -1.041 18.250 19.000 0.485 0.000 0.818 452 A HN 1.932 nan 8.150 nan 0.000 0.458 453 S N -0.063 115.844 115.700 0.346 0.000 2.402 453 S HA -0.253 4.217 4.470 0.001 0.000 0.233 453 S C 1.813 176.609 174.600 0.325 0.000 1.030 453 S CA 1.354 59.785 58.200 0.384 0.000 1.003 453 S CB -0.623 62.765 63.200 0.313 0.000 0.813 453 S HN 0.647 nan 8.310 nan 0.000 0.477 454 R N 1.215 121.832 120.500 0.194 0.000 2.355 454 R HA 0.060 4.400 4.340 0.001 0.000 0.219 454 R C 1.995 178.314 176.300 0.032 0.000 1.107 454 R CA 0.901 57.063 56.100 0.103 0.000 1.021 454 R CB -0.547 29.792 30.300 0.065 0.000 0.852 454 R HN 0.650 nan 8.270 nan 0.000 0.475 455 A N -0.802 122.008 122.820 -0.016 0.000 2.275 455 A HA 0.109 4.430 4.320 0.001 0.000 0.212 455 A C 0.835 178.016 177.584 -0.671 0.000 1.201 455 A CA 0.238 52.045 52.037 -0.383 0.000 0.843 455 A CB 0.227 18.872 19.000 -0.591 0.000 0.873 455 A HN 0.237 nan 8.150 nan 0.000 0.492 456 F N -1.099 118.905 119.950 0.090 0.000 2.871 456 F HA 0.129 4.656 4.527 0.001 0.000 0.344 456 F C 1.165 177.012 175.800 0.077 0.000 1.078 456 F CA -0.592 57.461 58.000 0.089 0.000 1.149 456 F CB 0.240 39.309 39.000 0.115 0.000 1.087 456 F HN 0.030 nan 8.300 nan 0.000 0.557 457 D N 1.214 121.744 120.400 0.216 0.000 2.154 457 D HA -0.225 4.415 4.640 0.001 0.000 0.190 457 D C 1.014 177.380 176.300 0.111 0.000 1.003 457 D CA 2.038 56.124 54.000 0.144 0.000 0.849 457 D CB -0.664 40.191 40.800 0.092 0.000 0.942 457 D HN 0.442 nan 8.370 nan 0.000 0.446 458 D N 0.591 121.041 120.400 0.083 0.000 2.856 458 D HA 0.283 4.923 4.640 0.001 0.000 0.242 458 D C -0.130 176.215 176.300 0.075 0.000 1.226 458 D CA -0.135 53.903 54.000 0.063 0.000 0.855 458 D CB -0.128 40.695 40.800 0.037 0.000 1.065 458 D HN 0.066 nan 8.370 nan 0.000 0.462 459 A N 0.565 123.451 122.820 0.109 0.000 2.384 459 A HA 0.614 4.935 4.320 0.001 0.000 0.312 459 A C -0.458 177.188 177.584 0.102 0.000 1.113 459 A CA -0.962 51.146 52.037 0.118 0.000 0.779 459 A CB 1.685 20.797 19.000 0.187 0.000 1.307 459 A HN 0.109 nan 8.150 nan 0.000 0.436 460 K N 0.676 121.128 120.400 0.087 0.000 2.206 460 K HA 0.563 4.883 4.320 0.001 0.000 0.264 460 K C -1.309 175.333 176.600 0.070 0.000 0.967 460 K CA -0.619 55.710 56.287 0.069 0.000 0.844 460 K CB 2.122 34.653 32.500 0.052 0.000 1.099 460 K HN 0.351 nan 8.250 nan 0.000 0.441 461 V N 3.317 123.266 119.914 0.060 0.000 2.350 461 V HA 0.086 4.207 4.120 0.001 0.000 0.276 461 V C 0.022 176.132 176.094 0.026 0.000 1.028 461 V CA -0.794 61.534 62.300 0.046 0.000 0.860 461 V CB 0.680 32.527 31.823 0.040 0.000 0.990 461 V HN 0.783 nan 8.190 nan 0.000 0.453 462 E N 6.092 126.307 120.200 0.024 0.000 2.089 462 E HA 0.520 4.871 4.350 0.001 0.000 0.284 462 E C -0.742 175.858 176.600 0.001 0.000 1.023 462 E CA -0.624 55.784 56.400 0.014 0.000 0.819 462 E CB 1.020 30.732 29.700 0.019 0.000 1.076 462 E HN 0.560 nan 8.360 nan 0.000 0.396 463 L N 2.724 123.941 121.223 -0.010 0.000 2.452 463 L HA 0.146 4.487 4.340 0.001 0.000 0.267 463 L C 0.978 177.839 176.870 -0.016 0.000 1.188 463 L CA -0.360 54.465 54.840 -0.024 0.000 0.821 463 L CB 0.813 42.850 42.059 -0.036 0.000 1.102 463 L HN 0.729 nan 8.230 nan 0.000 0.470 464 S N 0.738 116.427 115.700 -0.020 0.000 2.647 464 S HA 0.228 4.699 4.470 0.001 0.000 0.284 464 S C 0.919 175.510 174.600 -0.014 0.000 1.134 464 S CA -0.602 57.590 58.200 -0.013 0.000 1.027 464 S CB 0.791 63.984 63.200 -0.011 0.000 1.180 464 S HN 0.706 nan 8.310 nan 0.000 0.521 465 K N -0.170 120.224 120.400 -0.010 0.000 2.228 465 K HA -0.113 4.207 4.320 0.001 0.000 0.205 465 K C 0.786 177.378 176.600 -0.014 0.000 1.045 465 K CA 1.578 57.859 56.287 -0.010 0.000 0.931 465 K CB -1.281 31.215 32.500 -0.007 0.000 0.727 465 K HN 0.731 nan 8.250 nan 0.000 0.458 466 T N -3.145 111.398 114.554 -0.018 0.000 2.940 466 T HA 0.439 4.790 4.350 0.001 0.000 0.288 466 T C 0.819 175.497 174.700 -0.036 0.000 1.033 466 T CA -0.565 61.520 62.100 -0.025 0.000 1.033 466 T CB 1.857 70.711 68.868 -0.023 0.000 1.079 466 T HN 0.149 nan 8.240 nan 0.000 0.496 467 G N 2.081 110.854 108.800 -0.046 0.000 3.327 467 G HA2 0.248 4.209 3.960 0.001 0.000 0.218 467 G HA3 0.248 4.209 3.960 0.001 0.000 0.218 467 G C 0.231 175.074 174.900 -0.095 0.000 1.261 467 G CA -0.209 44.852 45.100 -0.065 0.000 1.438 467 G HN 0.543 nan 8.290 nan 0.000 0.530 468 M N 0.275 119.830 119.600 -0.075 0.000 2.300 468 M HA 0.349 4.830 4.480 0.001 0.000 0.348 468 M C -2.696 173.559 176.300 -0.075 0.000 1.151 468 M CA -3.250 52.001 55.300 -0.082 0.000 1.046 468 M CB 1.741 34.313 32.600 -0.046 0.000 1.647 468 M HN -0.190 nan 8.290 nan 0.000 0.451 469 P HA 0.361 nan 4.420 nan 0.000 0.280 469 P C -0.108 177.178 177.300 -0.024 0.000 1.244 469 P CA -0.178 62.885 63.100 -0.063 0.000 0.784 469 P CB 1.234 32.884 31.700 -0.083 0.000 0.913 470 R N 1.436 121.932 120.500 -0.007 0.000 2.444 470 R HA 0.266 4.607 4.340 0.001 0.000 0.111 470 R C 0.158 176.473 176.300 0.024 0.000 1.456 470 R CA -0.207 55.898 56.100 0.009 0.000 1.242 470 R CB -0.761 29.544 30.300 0.008 0.000 1.059 470 R HN 0.480 nan 8.270 nan 0.000 0.422 471 Q N 1.787 121.605 119.800 0.030 0.000 2.300 471 Q HA 0.205 4.546 4.340 0.001 0.000 0.280 471 Q C -0.590 175.445 176.000 0.058 0.000 1.033 471 Q CA 0.171 56.002 55.803 0.046 0.000 0.903 471 Q CB 0.886 29.649 28.738 0.041 0.000 1.195 471 Q HN 0.027 nan 8.270 nan 0.000 0.386 472 V N 4.096 124.061 119.914 0.085 0.000 2.370 472 V HA 0.331 4.452 4.120 0.001 0.000 0.283 472 V C -0.087 176.081 176.094 0.124 0.000 1.023 472 V CA -0.425 61.945 62.300 0.116 0.000 0.857 472 V CB 1.198 33.121 31.823 0.167 0.000 0.985 472 V HN 0.662 nan 8.190 nan 0.000 0.443 473 K N 3.392 123.853 120.400 0.102 0.000 2.444 473 K HA 0.893 5.213 4.320 0.001 0.000 0.252 473 K C -1.706 174.940 176.600 0.077 0.000 0.993 473 K CA -0.921 55.416 56.287 0.083 0.000 0.847 473 K CB 2.974 35.509 32.500 0.059 0.000 1.340 473 K HN 0.344 nan 8.250 nan 0.000 0.446 474 V N 2.558 122.506 119.914 0.058 0.000 2.655 474 V HA 0.150 4.270 4.120 0.001 0.000 0.301 474 V C -0.089 176.023 176.094 0.029 0.000 1.082 474 V CA -0.866 61.460 62.300 0.044 0.000 0.899 474 V CB 1.410 33.255 31.823 0.037 0.000 1.014 474 V HN 0.922 nan 8.190 nan 0.000 0.429 475 N N 3.480 122.195 118.700 0.026 0.000 2.922 475 N HA -0.240 4.500 4.740 0.001 0.000 0.231 475 N C 1.102 176.622 175.510 0.018 0.000 0.889 475 N CA 2.338 55.400 53.050 0.019 0.000 1.027 475 N CB -0.940 37.554 38.487 0.013 0.000 1.059 475 N HN 1.578 nan 8.380 nan 0.000 0.613 476 G N -0.537 108.277 108.800 0.022 0.000 2.672 476 G HA2 -0.168 3.792 3.960 0.001 0.000 0.197 476 G HA3 -0.168 3.792 3.960 0.001 0.000 0.197 476 G C -0.354 174.560 174.900 0.023 0.000 0.995 476 G CA 0.186 45.299 45.100 0.021 0.000 0.754 476 G HN 0.583 nan 8.290 nan 0.000 0.505 477 K N 0.835 121.249 120.400 0.024 0.000 2.185 477 K HA 0.710 5.031 4.320 0.001 0.000 0.269 477 K C -0.349 176.275 176.600 0.040 0.000 0.987 477 K CA -0.991 55.312 56.287 0.026 0.000 0.865 477 K CB 2.007 34.518 32.500 0.017 0.000 1.090 477 K HN 0.021 nan 8.250 nan 0.000 0.450 478 R N 4.805 125.332 120.500 0.045 0.000 2.248 478 R HA 0.102 4.442 4.340 0.001 0.000 0.337 478 R C 0.739 177.087 176.300 0.080 0.000 1.085 478 R CA -0.032 56.107 56.100 0.064 0.000 0.934 478 R CB 0.072 30.405 30.300 0.056 0.000 1.034 478 R HN 0.882 nan 8.270 nan 0.000 0.465 479 L N 2.514 123.805 121.223 0.114 0.000 1.961 479 L HA 0.006 4.347 4.340 0.001 0.000 0.209 479 L C 1.219 178.205 176.870 0.193 0.000 1.075 479 L CA 1.644 56.574 54.840 0.148 0.000 0.749 479 L CB -0.437 41.756 42.059 0.223 0.000 0.890 479 L HN 0.621 nan 8.230 nan 0.000 0.433 480 A N -1.619 121.340 122.820 0.233 0.000 2.535 480 A HA 0.726 5.046 4.320 0.001 0.000 0.296 480 A C -0.949 176.712 177.584 0.129 0.000 1.248 480 A CA -0.322 51.833 52.037 0.196 0.000 0.686 480 A CB 1.714 20.877 19.000 0.272 0.000 1.315 480 A HN 0.017 nan 8.150 nan 0.000 0.460 481 T N 0.617 115.230 114.554 0.099 0.000 3.109 481 T HA 0.450 4.801 4.350 0.001 0.000 0.311 481 T C -0.995 173.734 174.700 0.049 0.000 1.011 481 T CA -0.326 61.812 62.100 0.064 0.000 1.026 481 T CB 1.183 70.085 68.868 0.056 0.000 1.047 481 T HN 0.749 nan 8.240 nan 0.000 0.448 482 V N 5.064 124.995 119.914 0.028 0.000 2.493 482 V HA 0.138 4.259 4.120 0.001 0.000 0.292 482 V C 1.138 177.247 176.094 0.025 0.000 1.016 482 V CA -0.113 62.198 62.300 0.019 0.000 1.097 482 V CB -0.387 31.441 31.823 0.008 0.000 0.947 482 V HN 0.682 nan 8.190 nan 0.000 0.479 483 R N 3.608 124.126 120.500 0.030 0.000 2.643 483 R HA 0.291 4.632 4.340 0.001 0.000 0.270 483 R C 1.352 177.666 176.300 0.024 0.000 1.061 483 R CA 0.239 56.354 56.100 0.025 0.000 1.107 483 R CB 0.502 30.816 30.300 0.022 0.000 0.999 483 R HN 0.825 nan 8.270 nan 0.000 0.460 484 A N 2.786 125.616 122.820 0.018 0.000 1.930 484 A HA -0.158 4.162 4.320 0.001 0.000 0.215 484 A C 1.513 179.112 177.584 0.025 0.000 1.176 484 A CA 1.434 53.482 52.037 0.018 0.000 0.632 484 A CB -0.198 18.809 19.000 0.012 0.000 0.819 484 A HN 0.890 nan 8.150 nan 0.000 0.445 485 D N 1.067 121.475 120.400 0.014 0.000 2.097 485 D HA -0.177 4.463 4.640 0.001 0.000 0.197 485 D C 0.741 177.056 176.300 0.025 0.000 0.984 485 D CA 1.633 55.638 54.000 0.009 0.000 0.826 485 D CB -0.648 40.139 40.800 -0.023 0.000 0.973 485 D HN 0.585 nan 8.370 nan 0.000 0.460 486 D N -1.753 118.659 120.400 0.020 0.000 2.433 486 D HA 0.208 4.849 4.640 0.001 0.000 0.211 486 D C 1.600 177.967 176.300 0.113 0.000 1.114 486 D CA 0.417 54.452 54.000 0.057 0.000 0.837 486 D CB 0.081 40.862 40.800 -0.031 0.000 0.984 486 D HN 0.334 nan 8.370 nan 0.000 0.505 487 G N 0.489 109.337 108.800 0.080 0.000 2.168 487 G HA2 -0.278 3.682 3.960 0.001 0.000 0.257 487 G HA3 -0.278 3.682 3.960 0.001 0.000 0.257 487 G C -0.109 174.831 174.900 0.067 0.000 0.997 487 G CA 0.539 45.687 45.100 0.080 0.000 0.708 487 G HN 0.411 nan 8.290 nan 0.000 0.520 488 L N -0.354 120.904 121.223 0.059 0.000 2.331 488 L HA 0.614 4.955 4.340 0.001 0.000 0.275 488 L C 0.985 177.871 176.870 0.026 0.000 1.022 488 L CA -1.234 53.628 54.840 0.038 0.000 0.812 488 L CB 1.481 43.573 42.059 0.055 0.000 1.257 488 L HN 0.008 nan 8.230 nan 0.000 0.435 489 L N 1.589 122.815 121.223 0.004 0.000 2.367 489 L HA 0.228 4.568 4.340 0.001 0.000 0.275 489 L C 0.141 177.109 176.870 0.163 0.000 1.129 489 L CA 0.146 55.031 54.840 0.074 0.000 0.839 489 L CB 0.826 42.934 42.059 0.082 0.000 1.133 489 L HN 0.548 nan 8.230 nan 0.000 0.453 490 T N 4.720 119.356 114.554 0.137 0.000 2.756 490 T HA 0.450 4.800 4.350 0.001 0.000 0.290 490 T C 0.140 174.933 174.700 0.154 0.000 0.985 490 T CA -0.489 61.692 62.100 0.135 0.000 0.955 490 T CB 0.484 69.406 68.868 0.090 0.000 0.930 490 T HN 0.277 nan 8.240 nan 0.000 0.451 491 L N 2.584 123.908 121.223 0.168 0.000 2.452 491 L HA 0.564 4.905 4.340 0.001 0.000 0.267 491 L C 1.145 178.077 176.870 0.103 0.000 1.188 491 L CA -0.420 54.511 54.840 0.151 0.000 0.821 491 L CB 0.434 42.554 42.059 0.102 0.000 1.102 491 L HN 0.641 nan 8.230 nan 0.000 0.470 492 G N 0.831 109.691 108.800 0.099 0.000 2.448 492 G HA2 0.372 4.332 3.960 0.001 0.000 0.324 492 G HA3 0.372 4.332 3.960 0.001 0.000 0.324 492 G C 0.869 175.796 174.900 0.045 0.000 1.203 492 G CA -0.625 44.516 45.100 0.068 0.000 0.954 492 G HN 0.481 nan 8.290 nan 0.000 0.480 493 I N 0.420 121.007 120.570 0.029 0.000 2.227 493 I HA -0.227 3.944 4.170 0.001 0.000 0.250 493 I C 2.518 178.636 176.117 0.002 0.000 1.087 493 I CA 1.779 63.087 61.300 0.013 0.000 1.352 493 I CB -0.396 37.608 38.000 0.007 0.000 1.043 493 I HN 0.664 nan 8.210 nan 0.000 0.425 494 E N 0.663 120.867 120.200 0.006 0.000 2.106 494 E HA -0.113 4.237 4.350 0.001 0.000 0.192 494 E C 2.219 178.802 176.600 -0.029 0.000 0.984 494 E CA 1.460 57.854 56.400 -0.010 0.000 0.806 494 E CB -0.585 29.116 29.700 0.002 0.000 0.750 494 E HN 0.449 nan 8.360 nan 0.000 0.458 495 G N 0.259 109.059 108.800 -0.001 0.000 2.408 495 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 495 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 495 G C 1.701 176.558 174.900 -0.072 0.000 1.150 495 G CA 0.999 46.079 45.100 -0.032 0.000 0.776 495 G HN 0.432 nan 8.290 nan 0.000 0.542 496 A N 1.245 124.049 122.820 -0.028 0.000 1.873 496 A HA -0.103 4.218 4.320 0.001 0.000 0.218 496 A C 2.300 179.876 177.584 -0.013 0.000 1.193 496 A CA 2.154 54.173 52.037 -0.029 0.000 0.629 496 A CB -0.480 18.519 19.000 -0.001 0.000 0.826 496 A HN 0.385 nan 8.150 nan 0.000 0.447 497 K N -0.654 119.732 120.400 -0.023 0.000 2.020 497 K HA -0.197 4.123 4.320 0.001 0.000 0.212 497 K C 2.308 178.900 176.600 -0.013 0.000 1.050 497 K CA 1.769 58.040 56.287 -0.027 0.000 0.929 497 K CB -0.299 32.169 32.500 -0.053 0.000 0.714 497 K HN 0.422 nan 8.250 nan 0.000 0.443 498 R N 0.797 121.252 120.500 -0.076 0.000 2.091 498 R HA -0.110 4.230 4.340 0.001 0.000 0.238 498 R C 2.448 178.684 176.300 -0.107 0.000 1.136 498 R CA 1.249 57.279 56.100 -0.117 0.000 0.959 498 R CB -0.535 29.627 30.300 -0.229 0.000 0.856 498 R HN 0.200 nan 8.270 nan 0.000 0.437 499 L N -0.206 120.938 121.223 -0.132 0.000 2.141 499 L HA -0.170 4.170 4.340 0.001 0.000 0.209 499 L C 2.756 179.602 176.870 -0.039 0.000 1.094 499 L CA 0.944 55.712 54.840 -0.119 0.000 0.763 499 L CB -0.583 41.351 42.059 -0.208 0.000 0.908 499 L HN 0.323 nan 8.230 nan 0.000 0.437 500 H N 1.607 120.631 119.070 -0.077 0.000 2.387 500 H HA -0.146 4.411 4.556 0.001 0.000 0.299 500 H C 2.133 177.455 175.328 -0.009 0.000 1.090 500 H CA 1.856 57.885 56.048 -0.031 0.000 1.332 500 H CB 0.281 30.031 29.762 -0.020 0.000 1.386 500 H HN 0.411 nan 8.280 nan 0.000 0.516 501 R N -0.543 120.049 120.500 0.153 0.000 2.189 501 R HA 0.088 4.428 4.340 0.001 0.000 0.203 501 R C 2.298 178.621 176.300 0.037 0.000 1.012 501 R CA 0.816 56.980 56.100 0.107 0.000 1.015 501 R CB -0.089 30.258 30.300 0.079 0.000 0.938 501 R HN 0.018 nan 8.270 nan 0.000 0.472 502 V N 2.052 121.972 119.914 0.010 0.000 2.488 502 V HA 0.013 4.133 4.120 0.001 0.000 0.246 502 V C 1.235 177.335 176.094 0.011 0.000 1.046 502 V CA 0.985 63.289 62.300 0.006 0.000 1.053 502 V CB -0.241 31.579 31.823 -0.005 0.000 0.679 502 V HN 0.172 nan 8.190 nan 0.000 0.458 503 L N 1.516 122.733 121.223 -0.010 0.000 2.289 503 L HA 0.398 4.739 4.340 0.001 0.000 0.285 503 L C -2.493 174.362 176.870 -0.026 0.000 1.049 503 L CA -1.797 53.036 54.840 -0.011 0.000 0.804 503 L CB 1.111 43.155 42.059 -0.024 0.000 1.195 503 L HN 0.082 nan 8.230 nan 0.000 0.428 504 P HA -0.002 nan 4.420 nan 0.000 0.271 504 P C -0.731 176.594 177.300 0.041 0.000 1.216 504 P CA -0.158 62.962 63.100 0.033 0.000 0.771 504 P CB 0.272 31.999 31.700 0.045 0.000 0.864 505 Y N 6.446 126.714 120.300 -0.052 0.000 2.683 505 Y HA 0.056 4.607 4.550 0.001 0.000 0.340 505 Y C -1.020 174.892 175.900 0.021 0.000 1.245 505 Y CA -0.726 57.355 58.100 -0.032 0.000 1.485 505 Y CB 0.251 38.702 38.460 -0.016 0.000 1.328 505 Y HN 0.418 nan 8.280 nan 0.000 0.603 506 P HA 0.072 nan 4.420 nan 0.000 0.261 506 P C -0.569 176.494 177.300 -0.395 0.000 1.352 506 P CA 0.104 62.643 63.100 -0.935 0.000 0.891 506 P CB 0.206 31.468 31.700 -0.731 0.000 1.383 507 R N 1.359 121.735 120.500 -0.206 0.000 2.486 507 R HA -0.025 4.315 4.340 0.001 0.000 0.304 507 R C 1.199 177.418 176.300 -0.135 0.000 0.913 507 R CA 0.808 56.832 56.100 -0.127 0.000 1.124 507 R CB -0.293 29.969 30.300 -0.064 0.000 0.891 507 R HN 0.271 nan 8.270 nan 0.000 0.410 508 M N -0.284 119.249 119.600 -0.112 0.000 2.901 508 M HA -0.302 4.179 4.480 0.001 0.000 0.182 508 M C -0.235 176.000 176.300 -0.108 0.000 0.641 508 M CA 1.330 56.573 55.300 -0.095 0.000 0.689 508 M CB -0.975 31.566 32.600 -0.097 0.000 2.484 508 M HN 0.483 nan 8.290 nan 0.000 0.302 509 R N 0.756 121.164 120.500 -0.154 0.000 2.410 509 R HA 0.620 4.961 4.340 0.001 0.000 0.288 509 R C -0.226 175.990 176.300 -0.139 0.000 1.051 509 R CA -0.146 55.882 56.100 -0.120 0.000 1.021 509 R CB 1.720 31.940 30.300 -0.134 0.000 1.032 509 R HN 0.123 nan 8.270 nan 0.000 0.481 510 V N 3.934 123.815 119.914 -0.056 0.000 2.482 510 V HA 0.452 4.572 4.120 0.001 0.000 0.295 510 V C -1.175 174.943 176.094 0.040 0.000 1.026 510 V CA -0.672 61.593 62.300 -0.058 0.000 0.856 510 V CB 1.849 33.645 31.823 -0.045 0.000 1.001 510 V HN 0.455 nan 8.190 nan 0.000 0.424 511 V N 7.797 127.763 119.914 0.086 0.000 2.383 511 V HA 0.513 4.633 4.120 0.001 0.000 0.275 511 V C 0.378 176.561 176.094 0.148 0.000 1.036 511 V CA -0.090 62.315 62.300 0.174 0.000 0.889 511 V CB 1.334 33.339 31.823 0.303 0.000 0.985 511 V HN 0.910 nan 8.190 nan 0.000 0.459 512 V N 2.404 122.397 119.914 0.132 0.000 2.966 512 V HA 0.658 4.778 4.120 0.001 0.000 0.317 512 V C 0.414 176.584 176.094 0.126 0.000 1.070 512 V CA -1.068 61.310 62.300 0.130 0.000 1.008 512 V CB 1.442 33.326 31.823 0.102 0.000 1.070 512 V HN 0.684 nan 8.190 nan 0.000 0.457 513 N N 0.921 119.709 118.700 0.146 0.000 2.231 513 N HA 0.117 4.858 4.740 0.001 0.000 0.223 513 N C 0.752 176.310 175.510 0.080 0.000 1.329 513 N CA -0.058 53.072 53.050 0.133 0.000 0.889 513 N CB 0.443 39.057 38.487 0.213 0.000 1.125 513 N HN 0.719 nan 8.380 nan 0.000 0.447 514 K N 0.661 121.103 120.400 0.070 0.000 2.167 514 K HA -0.002 4.319 4.320 0.001 0.000 0.203 514 K C 1.471 178.092 176.600 0.036 0.000 1.052 514 K CA 0.698 57.014 56.287 0.049 0.000 0.956 514 K CB 0.015 32.543 32.500 0.045 0.000 0.735 514 K HN 0.571 nan 8.250 nan 0.000 0.451 515 E N 0.383 120.601 120.200 0.031 0.000 2.208 515 E HA -0.060 4.291 4.350 0.001 0.000 0.193 515 E C 1.467 177.977 176.600 -0.150 0.000 0.988 515 E CA 0.814 57.206 56.400 -0.014 0.000 0.828 515 E CB 0.097 29.811 29.700 0.023 0.000 0.763 515 E HN 0.324 nan 8.360 nan 0.000 0.478 516 A N 0.510 123.206 122.820 -0.207 0.000 2.095 516 A HA -0.016 4.304 4.320 0.001 0.000 0.212 516 A C 1.794 179.353 177.584 -0.042 0.000 1.162 516 A CA 0.363 52.189 52.037 -0.351 0.000 0.753 516 A CB -0.137 18.651 19.000 -0.354 0.000 0.840 516 A HN 0.231 nan 8.150 nan 0.000 0.468 517 E N 0.113 120.324 120.200 0.018 0.000 2.136 517 E HA -0.215 4.136 4.350 0.001 0.000 0.202 517 E C -0.731 175.916 176.600 0.079 0.000 1.019 517 E CA 1.955 58.387 56.400 0.054 0.000 0.819 517 E CB -0.669 29.058 29.700 0.045 0.000 0.739 517 E HN 0.459 nan 8.360 nan 0.000 0.458 518 P HA -0.150 nan 4.420 nan 0.000 0.214 518 P C 0.902 178.236 177.300 0.055 0.000 1.162 518 P CA 1.232 64.370 63.100 0.062 0.000 0.879 518 P CB -0.099 31.626 31.700 0.041 0.000 0.786 519 F N 0.298 120.198 119.950 -0.085 0.000 2.069 519 F HA -0.185 4.342 4.527 0.001 0.000 0.298 519 F C 2.513 178.289 175.800 -0.040 0.000 1.113 519 F CA 1.507 59.464 58.000 -0.072 0.000 1.214 519 F CB -1.773 37.159 39.000 -0.113 0.000 0.978 519 F HN -0.122 nan 8.300 nan 0.000 0.474 520 A N 0.223 123.152 122.820 0.181 0.000 1.892 520 A HA -0.240 4.080 4.320 0.001 0.000 0.218 520 A C 2.374 179.996 177.584 0.063 0.000 1.188 520 A CA 1.966 54.064 52.037 0.101 0.000 0.631 520 A CB -0.808 18.238 19.000 0.076 0.000 0.822 520 A HN 0.326 nan 8.150 nan 0.000 0.447 521 R N -1.070 119.458 120.500 0.046 0.000 2.105 521 R HA -0.138 4.203 4.340 0.001 0.000 0.239 521 R C 2.187 178.487 176.300 0.001 0.000 1.135 521 R CA 1.658 57.768 56.100 0.016 0.000 0.967 521 R CB -0.218 30.084 30.300 0.003 0.000 0.861 521 R HN 0.369 nan 8.270 nan 0.000 0.442 522 K N -1.028 119.366 120.400 -0.010 0.000 2.211 522 K HA -0.065 4.255 4.320 0.001 0.000 0.203 522 K C 1.124 177.720 176.600 -0.007 0.000 1.050 522 K CA 1.405 57.669 56.287 -0.038 0.000 0.945 522 K CB 0.144 32.579 32.500 -0.109 0.000 0.732 522 K HN 0.403 nan 8.250 nan 0.000 0.451 523 G N -0.857 107.959 108.800 0.027 0.000 2.255 523 G HA2 -0.174 3.786 3.960 0.001 0.000 0.196 523 G HA3 -0.174 3.786 3.960 0.001 0.000 0.196 523 G C -0.457 174.483 174.900 0.068 0.000 0.998 523 G CA -0.249 44.874 45.100 0.039 0.000 0.656 523 G HN 0.058 nan 8.290 nan 0.000 0.490 524 K N 1.700 122.162 120.400 0.103 0.000 2.397 524 K HA 0.270 4.590 4.320 0.001 0.000 0.265 524 K C 0.163 176.859 176.600 0.159 0.000 0.982 524 K CA -0.130 56.253 56.287 0.161 0.000 0.931 524 K CB 0.385 33.053 32.500 0.280 0.000 0.943 524 K HN 0.280 nan 8.250 nan 0.000 0.501 525 D N 0.521 121.028 120.400 0.179 0.000 2.362 525 D HA 0.050 4.690 4.640 0.001 0.000 0.242 525 D C -0.207 176.214 176.300 0.201 0.000 1.132 525 D CA -0.221 53.861 54.000 0.137 0.000 0.907 525 D CB 0.771 41.616 40.800 0.075 0.000 1.195 525 D HN -0.018 nan 8.370 nan 0.000 0.429 526 V N 2.953 122.931 119.914 0.106 0.000 2.432 526 V HA 0.139 4.259 4.120 0.001 0.000 0.271 526 V C 0.087 176.266 176.094 0.141 0.000 1.046 526 V CA -0.405 61.981 62.300 0.144 0.000 0.945 526 V CB -0.011 31.856 31.823 0.073 0.000 0.992 526 V HN 0.277 nan 8.190 nan 0.000 0.471 527 F N 2.862 122.883 119.950 0.118 0.000 2.379 527 F HA 0.527 5.055 4.527 0.001 0.000 0.332 527 F C 1.361 177.226 175.800 0.108 0.000 1.096 527 F CA 0.036 58.114 58.000 0.129 0.000 1.105 527 F CB 1.494 40.620 39.000 0.209 0.000 1.189 527 F HN 0.557 nan 8.300 nan 0.000 0.515 528 A N 3.578 126.470 122.820 0.120 0.000 1.873 528 A HA -0.275 4.046 4.320 0.001 0.000 0.218 528 A C 2.179 179.788 177.584 0.041 0.000 1.193 528 A CA 2.343 54.422 52.037 0.071 0.000 0.629 528 A CB -0.938 18.103 19.000 0.069 0.000 0.826 528 A HN 0.874 nan 8.150 nan 0.000 0.447 529 K N -1.411 118.947 120.400 -0.071 0.000 2.228 529 K HA -0.158 4.163 4.320 0.001 0.000 0.205 529 K C 1.263 177.672 176.600 -0.318 0.000 1.045 529 K CA 1.972 58.091 56.287 -0.280 0.000 0.931 529 K CB -0.596 31.598 32.500 -0.510 0.000 0.727 529 K HN 0.453 nan 8.250 nan 0.000 0.458 530 F N 1.484 121.446 119.950 0.019 0.000 2.797 530 F HA 0.140 4.668 4.527 0.001 0.000 0.302 530 F C 0.390 176.206 175.800 0.028 0.000 1.130 530 F CA -0.570 57.433 58.000 0.006 0.000 1.387 530 F CB 0.579 39.569 39.000 -0.017 0.000 1.107 530 F HN -0.237 nan 8.300 nan 0.000 0.577 531 V N 3.350 123.361 119.914 0.161 0.000 2.406 531 V HA 0.063 4.184 4.120 0.001 0.000 0.272 531 V C 1.250 177.412 176.094 0.112 0.000 1.043 531 V CA -0.322 62.053 62.300 0.124 0.000 0.915 531 V CB 1.005 32.873 31.823 0.075 0.000 0.988 531 V HN 0.273 nan 8.190 nan 0.000 0.466 532 I N 2.071 122.728 120.570 0.144 0.000 3.035 532 I HA 0.393 4.564 4.170 0.001 0.000 0.271 532 I C 0.318 176.593 176.117 0.264 0.000 1.190 532 I CA 0.900 62.300 61.300 0.167 0.000 1.472 532 I CB 0.335 38.432 38.000 0.162 0.000 1.116 532 I HN 0.486 nan 8.210 nan 0.000 0.443 533 F N 1.494 121.484 119.950 0.067 0.000 2.688 533 F HA 0.749 5.276 4.527 0.001 0.000 0.308 533 F C -1.727 174.096 175.800 0.037 0.000 1.117 533 F CA -0.778 57.256 58.000 0.057 0.000 0.976 533 F CB 1.521 40.567 39.000 0.077 0.000 1.291 533 F HN 0.040 nan 8.300 nan 0.000 0.439 534 A N 3.061 125.112 122.820 -1.281 0.000 2.587 534 A HA 0.528 4.848 4.320 0.001 0.000 0.293 534 A C -1.666 175.253 177.584 -1.108 0.000 1.087 534 A CA -0.700 50.784 52.037 -0.920 0.000 0.692 534 A CB 1.258 20.017 19.000 -0.402 0.000 1.291 534 A HN 0.732 nan 8.150 nan 0.000 0.407 535 D N 1.692 121.722 120.400 -0.616 0.000 2.451 535 D HA 0.156 4.797 4.640 0.001 0.000 0.254 535 D C -1.495 174.645 176.300 -0.267 0.000 1.204 535 D CA -1.091 52.684 54.000 -0.376 0.000 0.896 535 D CB 0.907 41.566 40.800 -0.236 0.000 1.136 535 D HN 0.104 nan 8.370 nan 0.000 0.499 536 P HA -0.056 nan 4.420 nan 0.000 0.218 536 P C 1.185 178.423 177.300 -0.103 0.000 1.146 536 P CA 1.142 64.176 63.100 -0.109 0.000 0.813 536 P CB 0.195 31.878 31.700 -0.029 0.000 0.778 537 G N -0.967 107.777 108.800 -0.094 0.000 2.572 537 G HA2 -0.050 3.911 3.960 0.001 0.000 0.216 537 G HA3 -0.050 3.911 3.960 0.001 0.000 0.216 537 G C 0.618 175.471 174.900 -0.080 0.000 1.133 537 G CA -0.171 44.883 45.100 -0.077 0.000 0.791 537 G HN 0.236 nan 8.290 nan 0.000 0.538 538 I N 1.557 122.069 120.570 -0.096 0.000 2.683 538 I HA 0.117 4.288 4.170 0.001 0.000 0.286 538 I C 0.327 176.396 176.117 -0.080 0.000 1.175 538 I CA 0.085 61.335 61.300 -0.082 0.000 1.429 538 I CB 0.532 38.468 38.000 -0.107 0.000 1.371 538 I HN 0.008 nan 8.210 nan 0.000 0.569 539 R N 6.382 126.849 120.500 -0.055 0.000 2.832 539 R HA 0.486 4.827 4.340 0.001 0.000 0.271 539 R C -2.567 173.704 176.300 -0.048 0.000 0.996 539 R CA -2.473 53.599 56.100 -0.047 0.000 0.977 539 R CB 0.957 31.244 30.300 -0.022 0.000 1.168 539 R HN 0.186 nan 8.270 nan 0.000 0.482 540 P HA 0.016 nan 4.420 nan 0.000 0.264 540 P C -0.805 176.454 177.300 -0.068 0.000 1.193 540 P CA 0.592 63.576 63.100 -0.194 0.000 0.763 540 P CB 0.006 31.616 31.700 -0.151 0.000 0.810 541 Y N -0.937 119.337 120.300 -0.042 0.000 4.929 541 Y HA -0.251 4.300 4.550 0.001 0.000 0.252 541 Y C 0.856 176.753 175.900 -0.006 0.000 0.950 541 Y CA 0.358 58.438 58.100 -0.034 0.000 1.935 541 Y CB -2.010 36.422 38.460 -0.048 0.000 1.440 541 Y HN 0.372 nan 8.280 nan 0.000 0.567 542 D N 1.843 122.287 120.400 0.074 0.000 2.360 542 D HA 0.102 4.743 4.640 0.001 0.000 0.242 542 D C 0.490 176.848 176.300 0.097 0.000 1.184 542 D CA 0.187 54.242 54.000 0.092 0.000 0.930 542 D CB 0.579 41.412 40.800 0.054 0.000 1.161 542 D HN 0.134 nan 8.370 nan 0.000 0.447 543 E N 0.438 120.737 120.200 0.164 0.000 2.259 543 E HA 0.281 4.632 4.350 0.001 0.000 0.281 543 E C -0.224 176.411 176.600 0.058 0.000 1.027 543 E CA -0.503 55.977 56.400 0.134 0.000 0.838 543 E CB 1.603 31.439 29.700 0.227 0.000 1.066 543 E HN 0.218 nan 8.360 nan 0.000 0.401 544 V N 0.241 120.164 119.914 0.015 0.000 2.914 544 V HA 0.532 4.653 4.120 0.001 0.000 0.314 544 V C -0.340 175.745 176.094 -0.014 0.000 1.084 544 V CA -1.118 61.172 62.300 -0.017 0.000 0.963 544 V CB 1.653 33.456 31.823 -0.033 0.000 1.025 544 V HN 0.489 nan 8.190 nan 0.000 0.432 545 L N 3.478 124.691 121.223 -0.017 0.000 2.270 545 L HA 0.436 4.776 4.340 0.001 0.000 0.286 545 L C -0.275 176.624 176.870 0.048 0.000 1.059 545 L CA -0.687 54.168 54.840 0.025 0.000 0.839 545 L CB 1.383 43.465 42.059 0.039 0.000 1.221 545 L HN 0.561 nan 8.230 nan 0.000 0.431 546 V N 4.830 124.774 119.914 0.051 0.000 2.403 546 V HA 0.119 4.239 4.120 0.001 0.000 0.265 546 V C 0.382 176.530 176.094 0.090 0.000 1.034 546 V CA 0.083 62.418 62.300 0.059 0.000 1.036 546 V CB 1.243 33.096 31.823 0.050 0.000 1.032 546 V HN 0.475 nan 8.190 nan 0.000 0.478 547 V N 5.320 125.303 119.914 0.116 0.000 3.074 547 V HA 0.649 4.769 4.120 0.001 0.000 0.314 547 V C -0.217 175.962 176.094 0.141 0.000 1.117 547 V CA -0.785 61.607 62.300 0.153 0.000 1.014 547 V CB 2.711 34.676 31.823 0.238 0.000 1.057 547 V HN 1.044 nan 8.190 nan 0.000 0.438 548 N N 1.157 119.934 118.700 0.128 0.000 2.491 548 N HA 0.289 5.029 4.740 0.001 0.000 0.279 548 N C 0.521 176.103 175.510 0.120 0.000 1.236 548 N CA -0.376 52.738 53.050 0.108 0.000 0.982 548 N CB 0.412 38.942 38.487 0.071 0.000 1.194 548 N HN 0.615 nan 8.380 nan 0.000 0.582 549 E N -0.983 119.273 120.200 0.093 0.000 2.219 549 E HA -0.153 4.198 4.350 0.001 0.000 0.198 549 E C 0.284 176.890 176.600 0.011 0.000 0.998 549 E CA 0.899 57.341 56.400 0.070 0.000 0.818 549 E CB -0.145 29.584 29.700 0.048 0.000 0.741 549 E HN 0.460 nan 8.360 nan 0.000 0.477 550 N N 1.194 119.903 118.700 0.015 0.000 2.434 550 N HA -0.076 4.665 4.740 0.001 0.000 0.196 550 N C -0.450 175.064 175.510 0.006 0.000 1.183 550 N CA 0.435 53.476 53.050 -0.014 0.000 0.849 550 N CB 0.251 38.736 38.487 -0.003 0.000 0.992 550 N HN 0.066 nan 8.380 nan 0.000 0.460 551 D N 1.218 121.654 120.400 0.060 0.000 2.699 551 D HA -0.177 4.463 4.640 0.001 0.000 0.239 551 D C -0.986 175.466 176.300 0.255 0.000 1.136 551 D CA 0.787 54.898 54.000 0.186 0.000 0.668 551 D CB -1.161 39.697 40.800 0.097 0.000 1.060 551 D HN 0.422 nan 8.370 nan 0.000 0.429 552 E N 0.316 120.596 120.200 0.134 0.000 2.134 552 E HA 0.315 4.665 4.350 0.001 0.000 0.278 552 E C 0.097 176.704 176.600 0.012 0.000 0.959 552 E CA -1.307 55.106 56.400 0.022 0.000 0.783 552 E CB 1.352 31.053 29.700 0.001 0.000 1.095 552 E HN 0.181 nan 8.360 nan 0.000 0.399 553 L N 4.456 125.596 121.223 -0.138 0.000 2.628 553 L HA -0.118 4.223 4.340 0.001 0.000 0.274 553 L C 0.069 176.929 176.870 -0.017 0.000 1.209 553 L CA 1.063 55.864 54.840 -0.065 0.000 0.930 553 L CB 0.093 42.041 42.059 -0.186 0.000 1.183 553 L HN 0.728 nan 8.230 nan 0.000 0.492 554 L N 4.800 126.040 121.223 0.028 0.000 2.537 554 L HA 0.567 4.907 4.340 0.001 0.000 0.224 554 L C 0.670 177.555 176.870 0.026 0.000 1.065 554 L CA 0.447 55.303 54.840 0.027 0.000 0.860 554 L CB -0.133 41.954 42.059 0.046 0.000 1.086 554 L HN 0.826 nan 8.230 nan 0.000 0.482 555 A N -0.982 121.857 122.820 0.032 0.000 2.415 555 A HA 0.634 4.955 4.320 0.001 0.000 0.294 555 A C -1.136 176.467 177.584 0.031 0.000 1.019 555 A CA -0.431 51.624 52.037 0.029 0.000 0.603 555 A CB 0.733 19.754 19.000 0.036 0.000 1.382 555 A HN -0.141 nan 8.150 nan 0.000 0.483 556 T N -0.349 114.222 114.554 0.028 0.000 2.893 556 T HA 0.832 5.183 4.350 0.001 0.000 0.291 556 T C 0.155 174.871 174.700 0.027 0.000 1.028 556 T CA 0.134 62.249 62.100 0.026 0.000 0.995 556 T CB 1.832 70.716 68.868 0.026 0.000 1.051 556 T HN 2.016 nan 8.240 nan 0.000 0.470 557 G N 0.657 109.471 108.800 0.024 0.000 2.634 557 G HA2 0.594 4.554 3.960 0.001 0.000 0.309 557 G HA3 0.594 4.554 3.960 0.001 0.000 0.309 557 G C -2.033 172.880 174.900 0.021 0.000 1.299 557 G CA -0.633 44.479 45.100 0.021 0.000 0.798 557 G HN 0.704 nan 8.290 nan 0.000 0.490 558 Q N -0.271 119.535 119.800 0.009 0.000 2.340 558 Q HA 0.663 5.003 4.340 0.001 0.000 0.268 558 Q C -0.135 175.830 176.000 -0.059 0.000 1.031 558 Q CA -0.779 55.030 55.803 0.011 0.000 0.804 558 Q CB 1.893 30.663 28.738 0.054 0.000 1.286 558 Q HN 0.972 nan 8.270 nan 0.000 0.448 559 A N 4.234 127.002 122.820 -0.087 0.000 2.462 559 A HA 0.260 4.581 4.320 0.001 0.000 0.243 559 A C 0.159 177.541 177.584 -0.337 0.000 1.076 559 A CA -0.103 51.832 52.037 -0.170 0.000 0.773 559 A CB 0.160 19.075 19.000 -0.141 0.000 1.010 559 A HN 0.959 nan 8.150 nan 0.000 0.493 560 L N 1.742 122.749 121.223 -0.360 0.000 2.766 560 L HA 0.315 4.656 4.340 0.001 0.000 0.242 560 L C -0.279 176.318 176.870 -0.456 0.000 1.136 560 L CA 0.321 54.858 54.840 -0.506 0.000 0.933 560 L CB -0.328 41.505 42.059 -0.377 0.000 1.241 560 L HN 0.578 nan 8.230 nan 0.000 0.522 561 L N -1.751 119.268 121.223 -0.341 0.000 2.397 561 L HA 0.423 4.764 4.340 0.001 0.000 0.251 561 L C 0.013 176.787 176.870 -0.161 0.000 1.064 561 L CA -0.721 53.961 54.840 -0.263 0.000 0.859 561 L CB 2.220 44.108 42.059 -0.284 0.000 1.468 561 L HN -0.078 nan 8.230 nan 0.000 0.411 562 S N -0.887 114.774 115.700 -0.065 0.000 2.617 562 S HA 0.294 4.765 4.470 0.001 0.000 0.269 562 S C 1.040 175.608 174.600 -0.053 0.000 1.292 562 S CA -0.040 58.136 58.200 -0.041 0.000 1.010 562 S CB 1.422 64.638 63.200 0.026 0.000 0.944 562 S HN 0.818 nan 8.310 nan 0.000 0.536 563 G N 1.189 109.934 108.800 -0.091 0.000 2.476 563 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 563 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 563 G C 1.430 176.277 174.900 -0.087 0.000 1.164 563 G CA 0.918 45.937 45.100 -0.134 0.000 0.768 563 G HN 0.816 nan 8.290 nan 0.000 0.560 564 R N 0.713 121.195 120.500 -0.031 0.000 2.091 564 R HA -0.097 4.244 4.340 0.001 0.000 0.238 564 R C 2.430 178.803 176.300 0.123 0.000 1.136 564 R CA 1.817 57.944 56.100 0.045 0.000 0.959 564 R CB -0.336 30.008 30.300 0.073 0.000 0.856 564 R HN 0.515 nan 8.270 nan 0.000 0.437 565 E N 0.089 120.390 120.200 0.167 0.000 2.106 565 E HA -0.174 4.177 4.350 0.001 0.000 0.192 565 E C 2.110 178.869 176.600 0.264 0.000 0.984 565 E CA 1.499 58.078 56.400 0.298 0.000 0.806 565 E CB -0.096 29.744 29.700 0.235 0.000 0.750 565 E HN 0.422 nan 8.360 nan 0.000 0.458 566 M N 0.309 119.958 119.600 0.080 0.000 2.267 566 M HA -0.158 4.322 4.480 0.001 0.000 0.263 566 M C 2.136 178.485 176.300 0.081 0.000 1.063 566 M CA 1.269 56.593 55.300 0.040 0.000 1.090 566 M CB -0.309 32.266 32.600 -0.041 0.000 1.392 566 M HN 0.145 nan 8.290 nan 0.000 0.422 567 I N -0.271 120.347 120.570 0.080 0.000 2.206 567 I HA -0.178 3.992 4.170 0.001 0.000 0.239 567 I C 2.480 178.652 176.117 0.092 0.000 1.078 567 I CA 1.084 62.434 61.300 0.083 0.000 1.367 567 I CB -0.585 37.468 38.000 0.089 0.000 1.078 567 I HN 0.178 nan 8.210 nan 0.000 0.413 568 V N -1.393 118.585 119.914 0.107 0.000 2.427 568 V HA -0.130 3.991 4.120 0.001 0.000 0.248 568 V C 1.122 177.211 176.094 -0.008 0.000 1.051 568 V CA 0.722 63.047 62.300 0.042 0.000 1.048 568 V CB -1.203 30.629 31.823 0.015 0.000 0.666 568 V HN 0.029 nan 8.190 nan 0.000 0.456 569 F N 1.703 121.662 119.950 0.015 0.000 2.538 569 F HA 0.333 4.860 4.527 0.001 0.000 0.371 569 F C 1.458 177.217 175.800 -0.069 0.000 1.087 569 F CA 0.377 58.381 58.000 0.007 0.000 1.250 569 F CB 0.849 39.852 39.000 0.005 0.000 1.110 569 F HN 0.079 nan 8.300 nan 0.000 0.570 570 Q N 3.245 123.040 119.800 -0.008 0.000 2.217 570 Q HA 0.144 4.485 4.340 0.001 0.000 0.217 570 Q C -1.080 174.643 176.000 -0.461 0.000 0.844 570 Q CA 0.263 55.879 55.803 -0.310 0.000 0.957 570 Q CB 0.554 28.974 28.738 -0.529 0.000 1.127 570 Q HN 0.604 nan 8.270 nan 0.000 0.503 571 Y N -0.431 119.968 120.300 0.166 0.000 2.499 571 Y HA 0.592 5.143 4.550 0.001 0.000 0.347 571 Y C 0.876 176.843 175.900 0.111 0.000 0.987 571 Y CA -0.589 57.595 58.100 0.141 0.000 1.044 571 Y CB 2.025 40.556 38.460 0.118 0.000 1.245 571 Y HN 0.144 nan 8.280 nan 0.000 0.461 572 G N 1.750 110.690 108.800 0.233 0.000 2.707 572 G HA2 -0.144 3.816 3.960 0.001 0.000 0.686 572 G HA3 -0.144 3.816 3.960 0.001 0.000 0.686 572 G C -1.150 173.581 174.900 -0.282 0.000 1.315 572 G CA -1.235 43.850 45.100 -0.024 0.000 0.832 572 G HN 0.663 nan 8.290 nan 0.000 0.573 573 R N 0.023 120.188 120.500 -0.559 0.000 2.490 573 R HA 0.578 4.919 4.340 0.001 0.000 0.278 573 R C 1.308 177.369 176.300 -0.399 0.000 1.069 573 R CA 0.264 55.921 56.100 -0.739 0.000 1.080 573 R CB 1.205 31.094 30.300 -0.685 0.000 1.030 573 R HN 0.987 nan 8.270 nan 0.000 0.491 574 A N 2.312 124.957 122.820 -0.291 0.000 2.013 574 A HA 0.218 4.539 4.320 0.001 0.000 0.204 574 A C 0.086 177.561 177.584 -0.182 0.000 1.262 574 A CA 0.333 52.248 52.037 -0.202 0.000 0.800 574 A CB 0.842 19.781 19.000 -0.102 0.000 0.909 574 A HN 0.357 nan 8.150 nan 0.000 0.472 575 V N 0.678 120.502 119.914 -0.151 0.000 2.686 575 V HA 0.305 4.426 4.120 0.001 0.000 0.306 575 V C -0.599 175.440 176.094 -0.091 0.000 1.065 575 V CA -0.875 61.361 62.300 -0.107 0.000 0.894 575 V CB 1.852 33.645 31.823 -0.050 0.000 1.004 575 V HN 0.386 nan 8.190 nan 0.000 0.424 576 K N 4.082 124.436 120.400 -0.077 0.000 2.250 576 K HA 0.511 4.832 4.320 0.001 0.000 0.280 576 K C -0.739 175.857 176.600 -0.006 0.000 1.098 576 K CA -0.367 55.894 56.287 -0.043 0.000 0.916 576 K CB 1.035 33.515 32.500 -0.033 0.000 1.209 576 K HN 0.530 nan 8.250 nan 0.000 0.461 577 V N 6.019 125.940 119.914 0.012 0.000 2.521 577 V HA 0.071 4.191 4.120 0.001 0.000 0.286 577 V C 1.358 177.470 176.094 0.030 0.000 1.034 577 V CA -0.039 62.278 62.300 0.027 0.000 1.045 577 V CB 0.950 32.799 31.823 0.043 0.000 0.974 577 V HN 0.858 nan 8.190 nan 0.000 0.480 578 R N 2.751 123.270 120.500 0.031 0.000 2.066 578 R HA 0.173 4.514 4.340 0.001 0.000 0.224 578 R C 0.631 176.949 176.300 0.030 0.000 1.122 578 R CA 0.649 56.769 56.100 0.032 0.000 0.974 578 R CB 0.260 30.583 30.300 0.039 0.000 0.871 578 R HN 0.634 nan 8.270 nan 0.000 0.435 579 K N 0.057 120.475 120.400 0.029 0.000 2.570 579 K HA 0.236 4.557 4.320 0.001 0.000 0.256 579 K C -0.781 175.832 176.600 0.022 0.000 0.939 579 K CA -0.377 55.925 56.287 0.024 0.000 0.833 579 K CB 1.773 34.286 32.500 0.022 0.000 1.318 579 K HN 0.116 nan 8.250 nan 0.000 0.433 580 G N 1.070 109.882 108.800 0.019 0.000 2.553 580 G HA2 0.274 4.234 3.960 0.001 0.000 0.278 580 G HA3 0.274 4.234 3.960 0.001 0.000 0.278 580 G C 0.387 175.290 174.900 0.006 0.000 1.349 580 G CA -0.365 44.745 45.100 0.016 0.000 1.037 580 G HN 0.330 nan 8.290 nan 0.000 0.508 581 V N -0.802 119.111 119.914 -0.000 0.000 2.806 581 V HA 0.115 4.236 4.120 0.001 0.000 0.239 581 V C 1.451 177.537 176.094 -0.014 0.000 1.113 581 V CA 0.726 63.020 62.300 -0.010 0.000 1.137 581 V CB -0.135 31.677 31.823 -0.018 0.000 0.865 581 V HN 0.717 nan 8.190 nan 0.000 0.482 582 E N 0.000 120.191 120.200 -0.015 0.000 2.725 582 E HA 0.000 4.351 4.350 0.001 0.000 0.291 582 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 582 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 582 E HN 0.000 nan 8.360 nan 0.000 0.440