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 1p0q_1_A DATA FIRST_RESID 4 DATA SEQUENCE IIIATKNGKV RGMQLTVFGG TVTAFLGIPY AQPPLGRLRF KKPQSLTKWS DATA SEQUENCE DIWNATKYAN ScCQNIDQSF PGFHGSEMWN PNTDLSEDcL YLNVWIPAPK DATA SEQUENCE PKNATVLIWI YGGGFQTGTS SLHVYDGKFL ARVERVIVVS MNYRVGALGF DATA SEQUENCE LALPGNPEAP GNMGLFDQQL ALQWVQKNIA AFGGNPKSVT LFGESAGAAS DATA SEQUENCE VSLHLLSPGS HSLFTRAILQ SGSFNAPWAV TSLYEARNRT LNLAKLTGcS DATA SEQUENCE RXNETEIIKc LRNKDPQEIL LNEAFVVPYG TPLSVNFGPT VDGDFLTDMP DATA SEQUENCE DILLELGQFK KTQILVGVNK DEGTAFLVYG APGFSKDNNS IITRKEFQEG DATA SEQUENCE LKIFFPGVSE FGKESILFHY TDWVXXQRPE NYREALGDVV GDYNFIcPAL DATA SEQUENCE EFTKKFSEWG NNAFFYYFEH RSSKLPWPEW MGVMHGYEIE FVFGLPLERR DATA SEQUENCE DXYTKAEEIL SRSIVKRWAN FAKYGNPQET QNQSTSWPVF KSTEQKYLTL DATA SEQUENCE NTESTRIMTK LRAQQcRFWT SFFPKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.208 176.117 0.151 0.000 1.063 4 I CA 0.000 61.347 61.300 0.078 0.000 1.566 4 I CB 0.000 38.033 38.000 0.054 0.000 1.214 5 I N 5.543 126.203 120.570 0.151 0.000 2.406 5 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 5 I C -0.587 175.600 176.117 0.117 0.000 0.999 5 I CA -0.814 60.597 61.300 0.185 0.000 1.124 5 I CB 1.709 39.788 38.000 0.132 0.000 1.289 5 I HN 0.247 nan 8.210 nan 0.000 0.441 6 I N 4.951 125.576 120.570 0.090 0.000 2.404 6 I HA 0.447 4.617 4.170 -0.000 0.000 0.293 6 I C 0.380 176.410 176.117 -0.146 0.000 0.992 6 I CA -0.572 60.604 61.300 -0.207 0.000 1.149 6 I CB 1.803 39.329 38.000 -0.790 0.000 1.315 6 I HN 0.560 nan 8.210 nan 0.000 0.446 7 A N 5.244 127.968 122.820 -0.161 0.000 2.309 7 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 7 A C 0.428 177.922 177.584 -0.150 0.000 1.206 7 A CA -0.270 51.707 52.037 -0.100 0.000 0.850 7 A CB 0.213 19.164 19.000 -0.083 0.000 1.118 7 A HN 0.808 nan 8.150 nan 0.000 0.523 8 T N -0.193 114.304 114.554 -0.095 0.000 2.938 8 T HA 0.427 4.777 4.350 -0.000 0.000 0.285 8 T C 0.771 175.369 174.700 -0.170 0.000 1.028 8 T CA -0.822 61.216 62.100 -0.104 0.000 1.005 8 T CB 0.973 69.883 68.868 0.071 0.000 1.157 8 T HN 0.411 nan 8.240 nan 0.000 0.550 9 K N 0.879 121.169 120.400 -0.183 0.000 2.211 9 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 9 K C 1.184 177.649 176.600 -0.225 0.000 1.047 9 K CA 1.424 57.603 56.287 -0.180 0.000 0.935 9 K CB -0.580 31.821 32.500 -0.164 0.000 0.728 9 K HN 0.672 nan 8.250 nan 0.000 0.452 10 N N -0.538 117.967 118.700 -0.325 0.000 2.205 10 N HA 0.128 4.868 4.740 -0.000 0.000 0.201 10 N C 0.336 175.146 175.510 -1.168 0.000 1.128 10 N CA 0.289 53.002 53.050 -0.562 0.000 0.867 10 N CB 1.344 39.559 38.487 -0.453 0.000 0.996 10 N HN 0.205 nan 8.380 nan 0.000 0.503 11 G N 0.028 108.273 108.800 -0.924 0.000 2.368 11 G HA2 0.020 3.980 3.960 -0.000 0.000 0.302 11 G HA3 0.020 3.980 3.960 -0.000 0.000 0.302 11 G C -1.769 173.037 174.900 -0.158 0.000 1.329 11 G CA -1.013 43.548 45.100 -0.897 0.000 0.935 11 G HN -0.074 nan 8.290 nan 0.000 0.590 12 K N -0.511 120.034 120.400 0.242 0.000 2.144 12 K HA 0.638 4.958 4.320 -0.000 0.000 0.270 12 K C 0.031 177.006 176.600 0.624 0.000 1.005 12 K CA -0.534 55.964 56.287 0.353 0.000 0.932 12 K CB 1.983 34.637 32.500 0.257 0.000 1.021 12 K HN 1.109 nan 8.250 nan 0.000 0.462 13 V N -0.393 119.817 119.914 0.494 0.000 2.760 13 V HA 0.548 4.668 4.120 -0.000 0.000 0.309 13 V C -0.860 175.557 176.094 0.538 0.000 1.077 13 V CA -1.146 61.504 62.300 0.584 0.000 0.910 13 V CB 1.752 33.952 31.823 0.628 0.000 1.008 13 V HN 0.828 nan 8.190 nan 0.000 0.424 14 R N 2.623 123.387 120.500 0.441 0.000 2.460 14 R HA 0.802 5.142 4.340 -0.000 0.000 0.303 14 R C 0.233 176.591 176.300 0.097 0.000 0.968 14 R CA 0.211 56.475 56.100 0.272 0.000 0.889 14 R CB 1.763 32.145 30.300 0.137 0.000 1.123 14 R HN 1.165 nan 8.270 nan 0.000 0.455 15 G N 2.885 111.512 108.800 -0.288 0.000 2.938 15 G HA2 0.556 4.516 3.960 -0.000 0.000 0.258 15 G HA3 0.556 4.516 3.960 -0.000 0.000 0.258 15 G C -0.672 173.977 174.900 -0.419 0.000 1.356 15 G CA -0.918 43.704 45.100 -0.798 0.000 1.052 15 G HN 0.643 nan 8.290 nan 0.000 0.550 16 M N -1.090 118.263 119.600 -0.413 0.000 2.501 16 M HA 0.564 5.044 4.480 -0.000 0.000 0.293 16 M C -1.351 174.839 176.300 -0.182 0.000 1.192 16 M CA -1.059 54.104 55.300 -0.228 0.000 0.886 16 M CB 2.454 34.944 32.600 -0.184 0.000 1.710 16 M HN 0.199 nan 8.290 nan 0.000 0.457 17 Q N 2.713 122.449 119.800 -0.107 0.000 2.259 17 Q HA 0.693 5.033 4.340 -0.000 0.000 0.249 17 Q C -1.197 174.776 176.000 -0.044 0.000 0.914 17 Q CA -0.150 55.617 55.803 -0.060 0.000 0.904 17 Q CB 2.158 30.877 28.738 -0.033 0.000 1.213 17 Q HN 0.781 nan 8.270 nan 0.000 0.428 18 L N 0.993 122.202 121.223 -0.023 0.000 2.381 18 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 18 L C -0.176 176.688 176.870 -0.012 0.000 0.997 18 L CA -0.774 54.055 54.840 -0.019 0.000 0.818 18 L CB 2.273 44.324 42.059 -0.014 0.000 1.310 18 L HN 0.420 nan 8.230 nan 0.000 0.416 19 T N 2.314 116.862 114.554 -0.010 0.000 2.744 19 T HA 0.537 4.887 4.350 -0.000 0.000 0.291 19 T C -0.310 174.382 174.700 -0.014 0.000 0.957 19 T CA -0.347 61.756 62.100 0.005 0.000 1.002 19 T CB 1.152 70.033 68.868 0.022 0.000 0.919 19 T HN 0.243 nan 8.240 nan 0.000 0.468 20 V N 4.593 124.488 119.914 -0.030 0.000 2.569 20 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 20 V C -0.715 175.367 176.094 -0.019 0.000 1.044 20 V CA -1.180 61.031 62.300 -0.147 0.000 0.874 20 V CB 0.955 32.603 31.823 -0.291 0.000 1.002 20 V HN 0.879 nan 8.190 nan 0.000 0.424 21 F N 3.175 123.185 119.950 0.099 0.000 2.738 21 F HA -0.174 4.353 4.527 -0.000 0.000 0.232 21 F C 1.583 177.412 175.800 0.047 0.000 1.025 21 F CA 1.197 59.233 58.000 0.060 0.000 0.895 21 F CB -1.741 37.291 39.000 0.053 0.000 0.839 21 F HN 1.154 nan 8.300 nan 0.000 0.850 22 G N -0.705 108.219 108.800 0.208 0.000 2.212 22 G HA2 0.045 4.005 3.960 -0.000 0.000 0.267 22 G HA3 0.045 4.005 3.960 -0.000 0.000 0.267 22 G C 0.795 175.759 174.900 0.106 0.000 1.002 22 G CA 0.641 45.818 45.100 0.127 0.000 0.729 22 G HN 1.580 nan 8.290 nan 0.000 0.517 23 G N -2.422 106.443 108.800 0.108 0.000 3.222 23 G HA2 0.810 4.770 3.960 -0.000 0.000 0.263 23 G HA3 0.810 4.770 3.960 -0.000 0.000 0.263 23 G C -0.865 174.067 174.900 0.053 0.000 1.312 23 G CA 0.366 45.514 45.100 0.080 0.000 0.934 23 G HN 0.725 nan 8.290 nan 0.000 0.577 24 T N -0.545 114.038 114.554 0.048 0.000 2.933 24 T HA 0.587 4.936 4.350 -0.000 0.000 0.305 24 T C -1.165 173.563 174.700 0.046 0.000 1.092 24 T CA -0.242 61.880 62.100 0.037 0.000 1.008 24 T CB 1.990 70.881 68.868 0.038 0.000 1.102 24 T HN 0.426 nan 8.240 nan 0.000 0.469 25 V N 2.431 122.370 119.914 0.042 0.000 2.656 25 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 25 V C -0.103 176.042 176.094 0.086 0.000 1.051 25 V CA -0.779 61.571 62.300 0.083 0.000 0.893 25 V CB 2.357 34.230 31.823 0.083 0.000 0.999 25 V HN 0.993 nan 8.190 nan 0.000 0.426 26 T N 4.194 118.822 114.554 0.124 0.000 2.749 26 T HA 0.683 5.033 4.350 -0.000 0.000 0.287 26 T C 0.015 174.748 174.700 0.054 0.000 0.970 26 T CA -0.175 61.961 62.100 0.059 0.000 0.980 26 T CB 1.244 70.195 68.868 0.138 0.000 0.924 26 T HN 0.921 nan 8.240 nan 0.000 0.456 27 A N 3.156 125.879 122.820 -0.162 0.000 2.330 27 A HA 0.816 5.135 4.320 -0.000 0.000 0.327 27 A C -0.959 176.334 177.584 -0.486 0.000 1.155 27 A CA -0.675 51.181 52.037 -0.302 0.000 0.803 27 A CB 0.517 19.314 19.000 -0.338 0.000 1.208 27 A HN 0.756 nan 8.150 nan 0.000 0.477 28 F N 2.621 122.397 119.950 -0.290 0.000 2.443 28 F HA 0.369 4.896 4.527 -0.000 0.000 0.369 28 F C -0.221 175.395 175.800 -0.306 0.000 1.090 28 F CA -0.271 57.638 58.000 -0.152 0.000 1.129 28 F CB 1.165 40.182 39.000 0.027 0.000 1.367 28 F HN 0.346 nan 8.300 nan 0.000 0.465 29 L N 2.603 123.696 121.223 -0.218 0.000 2.276 29 L HA 0.602 4.942 4.340 -0.000 0.000 0.286 29 L C 0.930 177.760 176.870 -0.067 0.000 1.061 29 L CA -0.669 54.002 54.840 -0.281 0.000 0.807 29 L CB 1.082 42.841 42.059 -0.500 0.000 1.177 29 L HN 0.837 nan 8.230 nan 0.000 0.429 30 G N 3.995 112.791 108.800 -0.006 0.000 2.341 30 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.278 30 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.278 30 G C -0.308 174.687 174.900 0.158 0.000 1.111 30 G CA -0.508 44.647 45.100 0.091 0.000 0.982 30 G HN 0.508 nan 8.290 nan 0.000 0.502 31 I N 1.959 122.531 120.570 0.003 0.000 2.365 31 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 31 I C -1.398 174.574 176.117 -0.241 0.000 1.004 31 I CA -2.381 58.773 61.300 -0.244 0.000 1.311 31 I CB 1.498 39.322 38.000 -0.294 0.000 1.401 31 I HN 0.035 nan 8.210 nan 0.000 0.491 32 P HA 0.044 nan 4.420 nan 0.000 0.275 32 P C -0.863 176.235 177.300 -0.336 0.000 1.227 32 P CA 0.150 62.900 63.100 -0.583 0.000 0.781 32 P CB 0.586 31.840 31.700 -0.743 0.000 0.906 33 Y N 0.834 120.884 120.300 -0.417 0.000 2.626 33 Y HA 0.756 5.306 4.550 -0.000 0.000 0.248 33 Y C -0.299 175.544 175.900 -0.095 0.000 1.147 33 Y CA -0.767 57.182 58.100 -0.251 0.000 1.219 33 Y CB 0.191 38.434 38.460 -0.361 0.000 1.279 33 Y HN 0.523 nan 8.280 nan 0.000 0.541 34 A N 0.473 123.015 122.820 -0.462 0.000 2.608 34 A HA 0.380 4.700 4.320 -0.000 0.000 0.292 34 A C -1.517 175.894 177.584 -0.288 0.000 1.066 34 A CA -0.932 50.909 52.037 -0.326 0.000 0.676 34 A CB 1.135 19.870 19.000 -0.442 0.000 1.277 34 A HN 0.221 nan 8.150 nan 0.000 0.413 35 Q N 0.703 120.411 119.800 -0.153 0.000 2.311 35 Q HA 0.246 4.585 4.340 -0.000 0.000 0.272 35 Q C -2.178 173.735 176.000 -0.146 0.000 1.012 35 Q CA -1.403 54.335 55.803 -0.108 0.000 0.891 35 Q CB 0.303 29.012 28.738 -0.049 0.000 1.201 35 Q HN 0.361 nan 8.270 nan 0.000 0.391 36 P HA -0.044 nan 4.420 nan 0.000 0.261 36 P C -2.381 174.867 177.300 -0.087 0.000 1.183 36 P CA -0.581 62.455 63.100 -0.107 0.000 0.761 36 P CB 0.153 31.832 31.700 -0.035 0.000 0.785 37 P HA 0.082 nan 4.420 nan 0.000 0.226 37 P C -0.737 176.506 177.300 -0.095 0.000 1.783 37 P CA 0.433 63.476 63.100 -0.095 0.000 0.980 37 P CB -0.010 31.625 31.700 -0.107 0.000 1.967 38 L N -0.031 121.150 121.223 -0.069 0.000 2.332 38 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 38 L C 1.605 178.445 176.870 -0.050 0.000 1.016 38 L CA -0.417 54.386 54.840 -0.063 0.000 0.809 38 L CB 0.892 42.929 42.059 -0.037 0.000 1.280 38 L HN 0.306 nan 8.230 nan 0.000 0.447 39 G N 1.749 110.520 108.800 -0.047 0.000 2.629 39 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.313 39 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.313 39 G C 0.827 175.716 174.900 -0.018 0.000 1.217 39 G CA 0.930 46.014 45.100 -0.027 0.000 0.994 39 G HN 0.928 nan 8.290 nan 0.000 0.549 40 R N 0.869 121.366 120.500 -0.004 0.000 2.237 40 R HA 0.301 4.641 4.340 -0.000 0.000 0.219 40 R C 2.430 178.734 176.300 0.007 0.000 1.080 40 R CA 1.733 57.839 56.100 0.010 0.000 0.995 40 R CB -0.376 29.930 30.300 0.009 0.000 0.875 40 R HN 0.487 nan 8.270 nan 0.000 0.462 41 L N 0.763 121.976 121.223 -0.016 0.000 2.492 41 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 41 L C 1.300 178.141 176.870 -0.048 0.000 1.132 41 L CA -0.171 54.653 54.840 -0.026 0.000 0.850 41 L CB -0.247 41.789 42.059 -0.039 0.000 0.966 41 L HN 0.190 nan 8.230 nan 0.000 0.454 42 R N 0.476 120.923 120.500 -0.087 0.000 2.522 42 R HA -0.074 4.266 4.340 -0.000 0.000 0.284 42 R C 0.010 176.243 176.300 -0.110 0.000 1.032 42 R CA 0.251 56.207 56.100 -0.240 0.000 1.049 42 R CB 0.212 30.277 30.300 -0.391 0.000 0.956 42 R HN 0.088 nan 8.270 nan 0.000 0.422 43 F N 0.012 119.932 119.950 -0.050 0.000 2.517 43 F HA -0.283 4.244 4.527 -0.000 0.000 0.434 43 F C 0.086 175.855 175.800 -0.052 0.000 0.564 43 F CA 1.064 59.031 58.000 -0.055 0.000 1.414 43 F CB -1.303 37.669 39.000 -0.047 0.000 2.009 43 F HN 0.590 nan 8.300 nan 0.000 0.274 44 K N 1.277 121.734 120.400 0.095 0.000 2.106 44 K HA 0.444 4.764 4.320 -0.000 0.000 0.246 44 K C 0.485 177.075 176.600 -0.016 0.000 0.987 44 K CA -0.992 55.313 56.287 0.030 0.000 0.904 44 K CB 1.088 33.593 32.500 0.008 0.000 1.071 44 K HN -0.047 nan 8.250 nan 0.000 0.453 45 K N 2.342 122.703 120.400 -0.064 0.000 2.380 45 K HA 0.072 4.392 4.320 -0.000 0.000 0.267 45 K C -2.173 174.387 176.600 -0.066 0.000 0.990 45 K CA -1.246 54.976 56.287 -0.107 0.000 0.946 45 K CB -0.078 32.245 32.500 -0.294 0.000 0.937 45 K HN 0.413 nan 8.250 nan 0.000 0.491 46 P HA -0.040 nan 4.420 nan 0.000 0.267 46 P C -0.866 176.419 177.300 -0.025 0.000 1.205 46 P CA 0.183 63.270 63.100 -0.023 0.000 0.765 46 P CB 0.723 32.441 31.700 0.029 0.000 0.828 47 Q N 1.248 121.025 119.800 -0.038 0.000 2.222 47 Q HA 0.263 4.603 4.340 -0.000 0.000 0.252 47 Q C 0.520 176.515 176.000 -0.008 0.000 0.926 47 Q CA -0.534 55.255 55.803 -0.023 0.000 0.899 47 Q CB 1.229 29.952 28.738 -0.026 0.000 1.250 47 Q HN 0.566 nan 8.270 nan 0.000 0.441 48 S N 0.999 116.709 115.700 0.015 0.000 2.558 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.288 48 S C 0.202 174.821 174.600 0.031 0.000 1.318 48 S CA -0.664 57.559 58.200 0.038 0.000 1.056 48 S CB 0.314 63.538 63.200 0.040 0.000 0.853 48 S HN 0.489 nan 8.310 nan 0.000 0.505 49 L N 2.837 124.091 121.223 0.051 0.000 2.418 49 L HA 0.433 4.773 4.340 -0.000 0.000 0.265 49 L C 0.341 177.263 176.870 0.086 0.000 1.143 49 L CA 0.232 55.111 54.840 0.064 0.000 0.809 49 L CB 0.986 43.099 42.059 0.091 0.000 1.124 49 L HN 0.947 nan 8.230 nan 0.000 0.456 50 T N 3.148 117.769 114.554 0.112 0.000 2.780 50 T HA 0.278 4.628 4.350 -0.000 0.000 0.294 50 T C -0.172 174.621 174.700 0.154 0.000 0.949 50 T CA -0.983 61.184 62.100 0.112 0.000 1.074 50 T CB 0.383 69.318 68.868 0.111 0.000 0.910 50 T HN 0.581 nan 8.240 nan 0.000 0.501 51 K N 2.462 122.895 120.400 0.054 0.000 2.511 51 K HA 0.003 4.323 4.320 -0.000 0.000 0.280 51 K C -0.451 176.204 176.600 0.091 0.000 1.008 51 K CA -0.237 56.023 56.287 -0.045 0.000 1.050 51 K CB 0.146 32.596 32.500 -0.083 0.000 0.889 51 K HN 0.877 nan 8.250 nan 0.000 0.484 52 W N 1.144 122.506 121.300 0.103 0.000 2.671 52 W HA 0.623 5.283 4.660 -0.000 0.000 0.360 52 W C -0.875 175.712 176.519 0.114 0.000 1.128 52 W CA -1.305 56.116 57.345 0.127 0.000 1.184 52 W CB 0.824 30.407 29.460 0.204 0.000 1.415 52 W HN 0.510 nan 8.180 nan 0.000 0.604 53 S N 1.198 117.182 115.700 0.472 0.000 2.566 53 S HA 0.712 5.182 4.470 -0.000 0.000 0.298 53 S C -0.992 173.857 174.600 0.414 0.000 1.083 53 S CA -0.069 58.325 58.200 0.323 0.000 0.978 53 S CB 0.459 63.765 63.200 0.177 0.000 1.073 53 S HN 0.695 nan 8.310 nan 0.000 0.491 54 D N 0.029 120.617 120.400 0.314 0.000 10.436 54 D HA -0.133 4.507 4.640 -0.000 0.000 0.350 54 D C -1.177 175.329 176.300 0.342 0.000 3.107 54 D CA 0.137 54.283 54.000 0.243 0.000 2.566 54 D CB -0.577 40.317 40.800 0.157 0.000 1.256 54 D HN 0.568 nan 8.370 nan 0.000 0.964 55 I N 0.772 121.480 120.570 0.229 0.000 2.321 55 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 55 I C 0.354 176.593 176.117 0.203 0.000 0.998 55 I CA -0.635 60.830 61.300 0.274 0.000 1.227 55 I CB 1.089 39.197 38.000 0.180 0.000 1.368 55 I HN 0.228 nan 8.210 nan 0.000 0.466 56 W N 7.267 128.632 121.300 0.109 0.000 2.304 56 W HA 0.191 4.851 4.660 -0.000 0.000 0.313 56 W C -0.578 175.942 176.519 0.003 0.000 1.323 56 W CA -0.437 56.837 57.345 -0.118 0.000 1.223 56 W CB 0.686 29.918 29.460 -0.380 0.000 1.237 56 W HN 0.469 nan 8.180 nan 0.000 0.535 57 N N 5.050 123.609 118.700 -0.234 0.000 2.439 57 N HA 0.229 4.969 4.740 -0.000 0.000 0.243 57 N C 0.012 175.590 175.510 0.113 0.000 1.088 57 N CA 0.049 53.069 53.050 -0.050 0.000 0.940 57 N CB 1.272 39.651 38.487 -0.179 0.000 1.180 57 N HN 0.384 nan 8.380 nan 0.000 0.505 58 A N 1.546 124.553 122.820 0.311 0.000 3.215 58 A HA 0.216 4.536 4.320 -0.000 0.000 0.269 58 A C 1.015 178.609 177.584 0.016 0.000 1.517 58 A CA -0.530 51.670 52.037 0.271 0.000 1.221 58 A CB -0.664 18.556 19.000 0.367 0.000 1.160 58 A HN 0.517 nan 8.150 nan 0.000 0.620 59 T N -2.353 112.174 114.554 -0.046 0.000 3.129 59 T HA 0.343 4.693 4.350 -0.000 0.000 0.267 59 T C 0.149 174.756 174.700 -0.155 0.000 1.018 59 T CA -0.140 61.883 62.100 -0.127 0.000 0.903 59 T CB -0.542 68.259 68.868 -0.111 0.000 1.067 59 T HN 0.704 nan 8.240 nan 0.000 0.549 60 K N -0.094 120.216 120.400 -0.150 0.000 2.568 60 K HA 0.412 4.732 4.320 -0.000 0.000 0.273 60 K C -1.720 174.804 176.600 -0.126 0.000 0.951 60 K CA -1.045 55.146 56.287 -0.160 0.000 0.854 60 K CB 0.698 33.147 32.500 -0.087 0.000 1.424 60 K HN -0.073 nan 8.250 nan 0.000 0.427 61 Y N 1.279 121.550 120.300 -0.049 0.000 2.702 61 Y HA 0.188 4.738 4.550 -0.000 0.000 0.336 61 Y C 1.149 176.993 175.900 -0.093 0.000 1.235 61 Y CA 0.877 58.950 58.100 -0.046 0.000 1.492 61 Y CB 0.632 39.082 38.460 -0.015 0.000 1.308 61 Y HN 0.788 nan 8.280 nan 0.000 0.589 62 A N 3.142 125.989 122.820 0.046 0.000 2.257 62 A HA 0.317 4.637 4.320 -0.000 0.000 0.290 62 A C 0.101 177.623 177.584 -0.103 0.000 1.201 62 A CA -0.919 50.998 52.037 -0.200 0.000 0.863 62 A CB 0.146 18.773 19.000 -0.623 0.000 1.256 62 A HN 0.792 nan 8.150 nan 0.000 0.506 63 N N 0.513 119.120 118.700 -0.155 0.000 2.479 63 N HA 0.171 4.911 4.740 -0.000 0.000 0.257 63 N C -0.187 175.335 175.510 0.019 0.000 1.232 63 N CA 0.291 53.315 53.050 -0.043 0.000 0.920 63 N CB 0.622 39.099 38.487 -0.017 0.000 1.105 63 N HN 0.497 nan 8.380 nan 0.000 0.444 64 S N 0.629 116.328 115.700 -0.002 0.000 2.632 64 S HA 0.287 4.757 4.470 -0.000 0.000 0.271 64 S C 0.383 174.990 174.600 0.012 0.000 1.260 64 S CA -0.737 57.458 58.200 -0.008 0.000 1.010 64 S CB 0.844 64.006 63.200 -0.064 0.000 0.965 64 S HN 0.495 nan 8.310 nan 0.000 0.534 65 c N 1.700 120.309 118.600 0.015 0.000 2.657 65 c HA 0.248 4.818 4.570 -0.000 0.000 0.404 65 c C 1.113 175.205 174.090 0.004 0.000 1.291 65 c CA -1.075 55.266 56.329 0.020 0.000 2.218 65 c CB -0.798 41.730 42.510 0.030 0.000 2.687 65 c HN 0.836 nan 8.230 nan 0.000 0.634 66 C N 3.627 122.929 119.300 0.003 0.000 2.563 66 C HA 0.380 4.840 4.460 -0.000 0.000 0.411 66 C C 0.342 175.343 174.990 0.018 0.000 1.386 66 C CA 0.207 59.226 59.018 0.002 0.000 1.703 66 C CB -1.846 25.887 27.740 -0.011 0.000 2.596 66 C HN 0.971 nan 8.230 nan 0.000 0.605 67 Q N 2.178 121.991 119.800 0.022 0.000 2.647 67 Q HA 0.341 4.681 4.340 -0.000 0.000 0.283 67 Q C -1.627 174.394 176.000 0.035 0.000 0.943 67 Q CA -0.825 55.001 55.803 0.038 0.000 0.813 67 Q CB 0.794 29.553 28.738 0.034 0.000 1.477 67 Q HN 0.631 nan 8.270 nan 0.000 0.393 68 N N 0.620 119.347 118.700 0.044 0.000 2.503 68 N HA 0.428 5.168 4.740 -0.000 0.000 0.267 68 N C -0.782 174.750 175.510 0.037 0.000 1.214 68 N CA 0.034 53.107 53.050 0.038 0.000 0.959 68 N CB 0.600 39.108 38.487 0.034 0.000 1.142 68 N HN 0.424 nan 8.380 nan 0.000 0.455 69 I N 0.348 120.941 120.570 0.039 0.000 2.648 69 I HA 0.089 4.259 4.170 -0.000 0.000 0.304 69 I C 0.363 176.520 176.117 0.067 0.000 1.009 69 I CA -0.731 60.598 61.300 0.049 0.000 1.114 69 I CB 1.084 39.110 38.000 0.043 0.000 1.293 69 I HN 0.324 nan 8.210 nan 0.000 0.449 70 D N 3.623 124.082 120.400 0.099 0.000 2.338 70 D HA 0.128 4.768 4.640 -0.000 0.000 0.255 70 D C -0.131 176.249 176.300 0.134 0.000 1.237 70 D CA 0.290 54.379 54.000 0.147 0.000 0.883 70 D CB 0.673 41.613 40.800 0.233 0.000 1.087 70 D HN 0.461 nan 8.370 nan 0.000 0.485 71 Q N 1.825 121.675 119.800 0.082 0.000 2.172 71 Q HA 0.158 4.497 4.340 -0.000 0.000 0.217 71 Q C 1.180 177.152 176.000 -0.046 0.000 0.832 71 Q CA -0.223 55.603 55.803 0.039 0.000 1.010 71 Q CB 0.688 29.442 28.738 0.026 0.000 1.133 71 Q HN 0.318 nan 8.270 nan 0.000 0.489 72 S N 0.159 115.780 115.700 -0.131 0.000 2.428 72 S HA 0.021 4.490 4.470 -0.000 0.000 0.230 72 S C 0.046 174.096 174.600 -0.916 0.000 1.014 72 S CA 0.815 58.665 58.200 -0.583 0.000 0.957 72 S CB 0.173 62.843 63.200 -0.884 0.000 0.784 72 S HN 0.308 nan 8.310 nan 0.000 0.499 73 F N 0.862 120.878 119.950 0.111 0.000 2.708 73 F HA 0.395 4.922 4.527 -0.000 0.000 0.344 73 F C -2.998 172.873 175.800 0.120 0.000 1.447 73 F CA -2.959 55.092 58.000 0.085 0.000 1.140 73 F CB 0.110 39.177 39.000 0.112 0.000 1.657 73 F HN -0.186 nan 8.300 nan 0.000 0.598 74 P HA 0.148 nan 4.420 nan 0.000 0.263 74 P C 1.055 178.444 177.300 0.148 0.000 1.175 74 P CA 1.369 64.548 63.100 0.132 0.000 0.761 74 P CB 0.729 32.473 31.700 0.073 0.000 0.794 75 G N 1.870 110.744 108.800 0.123 0.000 2.184 75 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.264 75 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.264 75 G C -0.066 174.924 174.900 0.150 0.000 0.975 75 G CA -0.326 44.835 45.100 0.102 0.000 0.642 75 G HN 0.537 nan 8.290 nan 0.000 0.536 76 F N 2.090 122.044 119.950 0.007 0.000 2.411 76 F HA 0.575 5.102 4.527 -0.000 0.000 0.355 76 F C 1.303 177.059 175.800 -0.074 0.000 1.117 76 F CA -0.850 57.104 58.000 -0.076 0.000 1.139 76 F CB 0.521 39.438 39.000 -0.139 0.000 1.120 76 F HN 0.191 nan 8.300 nan 0.000 0.493 77 H N 4.103 122.751 119.070 -0.702 0.000 2.456 77 H HA -0.078 4.478 4.556 -0.000 0.000 0.296 77 H C 1.867 176.691 175.328 -0.841 0.000 1.079 77 H CA 1.288 56.949 56.048 -0.644 0.000 1.322 77 H CB 0.154 29.619 29.762 -0.495 0.000 1.388 77 H HN 0.873 nan 8.280 nan 0.000 0.538 78 G N -0.175 107.505 108.800 -1.866 0.000 2.442 78 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 78 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 78 G C 1.924 176.732 174.900 -0.154 0.000 1.141 78 G CA 1.291 45.523 45.100 -1.447 0.000 0.763 78 G HN 0.564 nan 8.290 nan 0.000 0.554 79 S N -0.294 115.370 115.700 -0.059 0.000 2.502 79 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 79 S C 1.821 176.584 174.600 0.272 0.000 1.061 79 S CA 0.674 59.199 58.200 0.541 0.000 0.935 79 S CB -0.062 63.636 63.200 0.830 0.000 0.809 79 S HN 0.448 nan 8.310 nan 0.000 0.510 80 E N 2.063 122.286 120.200 0.038 0.000 2.268 80 E HA -0.078 4.271 4.350 -0.000 0.000 0.195 80 E C 2.029 178.537 176.600 -0.153 0.000 0.995 80 E CA 1.270 57.666 56.400 -0.007 0.000 0.836 80 E CB -0.467 29.233 29.700 0.000 0.000 0.763 80 E HN 0.819 nan 8.360 nan 0.000 0.491 81 M N -1.750 117.593 119.600 -0.428 0.000 2.460 81 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 81 M C 1.031 176.912 176.300 -0.698 0.000 1.071 81 M CA 1.370 56.267 55.300 -0.672 0.000 1.096 81 M CB -0.383 31.529 32.600 -1.148 0.000 1.408 81 M HN 0.041 nan 8.290 nan 0.000 0.463 82 W N 1.114 122.327 121.300 -0.145 0.000 3.114 82 W HA 0.253 4.913 4.660 -0.000 0.000 0.279 82 W C 0.450 176.903 176.519 -0.110 0.000 1.277 82 W CA -0.857 56.408 57.345 -0.134 0.000 1.630 82 W CB -0.104 29.316 29.460 -0.068 0.000 1.087 82 W HN 0.109 nan 8.180 nan 0.000 0.637 83 N N 1.630 120.372 118.700 0.071 0.000 2.482 83 N HA 0.115 4.855 4.740 -0.000 0.000 0.260 83 N C -2.446 173.037 175.510 -0.045 0.000 1.236 83 N CA -1.251 51.817 53.050 0.031 0.000 0.938 83 N CB -0.266 38.242 38.487 0.035 0.000 1.128 83 N HN -0.337 nan 8.380 nan 0.000 0.448 84 P HA 0.018 nan 4.420 nan 0.000 0.262 84 P C 0.239 177.484 177.300 -0.091 0.000 1.182 84 P CA 0.095 63.143 63.100 -0.088 0.000 0.761 84 P CB 0.257 31.918 31.700 -0.065 0.000 0.795 85 N N 0.527 119.151 118.700 -0.126 0.000 2.275 85 N HA 0.098 4.838 4.740 -0.000 0.000 0.236 85 N C -0.540 174.914 175.510 -0.094 0.000 1.154 85 N CA -0.119 52.863 53.050 -0.114 0.000 0.866 85 N CB 0.287 38.685 38.487 -0.149 0.000 1.093 85 N HN 0.185 nan 8.380 nan 0.000 0.515 86 T N -0.215 114.289 114.554 -0.083 0.000 2.894 86 T HA 0.144 4.494 4.350 -0.000 0.000 0.309 86 T C -1.586 173.088 174.700 -0.043 0.000 1.208 86 T CA -0.570 61.497 62.100 -0.055 0.000 1.016 86 T CB 1.768 70.601 68.868 -0.057 0.000 1.192 86 T HN -0.014 nan 8.240 nan 0.000 0.491 87 D N 2.349 122.729 120.400 -0.033 0.000 2.525 87 D HA 0.089 4.729 4.640 -0.000 0.000 0.235 87 D C 0.096 176.382 176.300 -0.023 0.000 1.137 87 D CA 0.604 54.588 54.000 -0.027 0.000 0.868 87 D CB 0.537 41.321 40.800 -0.027 0.000 1.180 87 D HN 0.340 nan 8.370 nan 0.000 0.465 88 L N 1.727 122.940 121.223 -0.017 0.000 2.350 88 L HA 0.372 4.711 4.340 -0.000 0.000 0.275 88 L C 0.712 177.580 176.870 -0.004 0.000 1.099 88 L CA -0.060 54.774 54.840 -0.010 0.000 0.808 88 L CB 1.294 43.348 42.059 -0.008 0.000 1.149 88 L HN 0.270 nan 8.230 nan 0.000 0.442 89 S N 0.452 116.155 115.700 0.004 0.000 2.597 89 S HA 0.164 4.634 4.470 -0.000 0.000 0.274 89 S C 0.082 174.688 174.600 0.011 0.000 1.132 89 S CA -0.640 57.565 58.200 0.008 0.000 0.835 89 S CB 1.476 64.687 63.200 0.018 0.000 1.092 89 S HN 0.749 nan 8.310 nan 0.000 0.457 90 E N 0.605 120.802 120.200 -0.005 0.000 2.216 90 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 90 E C -0.306 176.294 176.600 -0.001 0.000 0.988 90 E CA 0.491 56.875 56.400 -0.027 0.000 0.834 90 E CB 0.076 29.739 29.700 -0.062 0.000 0.772 90 E HN 0.532 nan 8.360 nan 0.000 0.479 91 D N 0.498 120.923 120.400 0.042 0.000 2.517 91 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 91 D C 0.136 176.580 176.300 0.239 0.000 1.158 91 D CA -0.278 53.785 54.000 0.105 0.000 0.992 91 D CB -0.108 40.767 40.800 0.125 0.000 1.058 91 D HN 0.127 nan 8.370 nan 0.000 0.516 92 c N 2.223 120.937 118.600 0.189 0.000 3.785 92 c HA 0.376 4.946 4.570 -0.000 0.000 0.312 92 c C 0.791 175.037 174.090 0.261 0.000 1.566 92 c CA -0.680 55.828 56.329 0.299 0.000 1.837 92 c CB -1.270 41.329 42.510 0.148 0.000 2.826 92 c HN 0.424 nan 8.230 nan 0.000 0.667 93 L N 2.577 123.708 121.223 -0.154 0.000 2.415 93 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 93 L C -0.823 175.576 176.870 -0.785 0.000 1.244 93 L CA 0.729 55.274 54.840 -0.492 0.000 1.113 93 L CB -0.895 40.684 42.059 -0.801 0.000 1.352 93 L HN 0.387 nan 8.230 nan 0.000 0.433 94 Y N 2.086 122.445 120.300 0.099 0.000 2.605 94 Y HA 0.698 5.248 4.550 -0.000 0.000 0.343 94 Y C -0.103 175.946 175.900 0.249 0.000 1.036 94 Y CA -1.286 56.903 58.100 0.148 0.000 1.065 94 Y CB 1.903 40.394 38.460 0.051 0.000 1.288 94 Y HN 0.191 nan 8.280 nan 0.000 0.481 95 L N -0.434 120.895 121.223 0.176 0.000 2.359 95 L HA 0.767 5.107 4.340 -0.000 0.000 0.256 95 L C -1.359 175.452 176.870 -0.098 0.000 1.026 95 L CA -1.223 53.599 54.840 -0.030 0.000 0.828 95 L CB 1.750 43.604 42.059 -0.342 0.000 1.406 95 L HN 0.479 nan 8.230 nan 0.000 0.413 96 N N -0.009 118.633 118.700 -0.097 0.000 2.292 96 N HA 0.791 5.531 4.740 -0.000 0.000 0.303 96 N C -1.485 173.848 175.510 -0.294 0.000 1.140 96 N CA -0.447 52.443 53.050 -0.268 0.000 0.788 96 N CB 2.884 41.145 38.487 -0.377 0.000 1.361 96 N HN 0.521 nan 8.380 nan 0.000 0.489 97 V N 1.111 120.783 119.914 -0.405 0.000 2.623 97 V HA 0.447 4.567 4.120 -0.000 0.000 0.304 97 V C -1.032 174.964 176.094 -0.162 0.000 1.054 97 V CA -0.788 61.397 62.300 -0.192 0.000 0.882 97 V CB 2.423 34.063 31.823 -0.303 0.000 1.002 97 V HN 0.571 nan 8.190 nan 0.000 0.424 98 W N 6.041 127.424 121.300 0.138 0.000 2.538 98 W HA 0.714 5.374 4.660 -0.000 0.000 0.322 98 W C -0.430 176.177 176.519 0.146 0.000 1.028 98 W CA -0.534 56.893 57.345 0.136 0.000 1.228 98 W CB 2.097 31.605 29.460 0.079 0.000 1.356 98 W HN 0.627 nan 8.180 nan 0.000 0.452 99 I N 1.669 122.465 120.570 0.376 0.000 2.646 99 I HA 0.655 4.825 4.170 -0.000 0.000 0.299 99 I C -2.631 173.629 176.117 0.238 0.000 1.036 99 I CA -3.092 58.387 61.300 0.298 0.000 1.074 99 I CB 2.167 40.372 38.000 0.341 0.000 1.258 99 I HN -0.050 nan 8.210 nan 0.000 0.430 100 P HA 0.313 nan 4.420 nan 0.000 0.272 100 P C -1.147 176.232 177.300 0.133 0.000 1.240 100 P CA -0.302 62.880 63.100 0.137 0.000 0.791 100 P CB 0.798 32.565 31.700 0.112 0.000 0.978 101 A N 1.692 124.575 122.820 0.106 0.000 2.381 101 A HA 0.640 4.959 4.320 -0.000 0.000 0.299 101 A C -2.457 175.173 177.584 0.076 0.000 1.049 101 A CA -1.383 50.710 52.037 0.093 0.000 0.715 101 A CB 0.310 19.361 19.000 0.084 0.000 1.222 101 A HN 0.431 nan 8.150 nan 0.000 0.428 102 P HA 0.093 nan 4.420 nan 0.000 0.269 102 P C -0.277 177.074 177.300 0.084 0.000 1.215 102 P CA -0.287 62.855 63.100 0.071 0.000 0.780 102 P CB 0.537 32.271 31.700 0.058 0.000 0.898 103 K N 2.893 123.348 120.400 0.091 0.000 2.530 103 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 103 K C -1.665 174.987 176.600 0.087 0.000 1.004 103 K CA -0.785 55.565 56.287 0.104 0.000 1.071 103 K CB -0.157 32.399 32.500 0.093 0.000 0.876 103 K HN 0.373 nan 8.250 nan 0.000 0.487 104 P HA 0.105 nan 4.420 nan 0.000 0.277 104 P C -0.733 176.607 177.300 0.067 0.000 1.271 104 P CA -0.257 62.892 63.100 0.080 0.000 0.795 104 P CB 0.923 32.676 31.700 0.089 0.000 1.101 105 K N -0.575 119.858 120.400 0.055 0.000 2.365 105 K HA 0.126 4.446 4.320 -0.000 0.000 0.195 105 K C 0.410 177.033 176.600 0.039 0.000 1.079 105 K CA 0.446 56.759 56.287 0.043 0.000 0.979 105 K CB 0.232 32.754 32.500 0.036 0.000 0.929 105 K HN 0.298 nan 8.250 nan 0.000 0.523 106 N N 0.293 119.018 118.700 0.043 0.000 2.728 106 N HA 0.157 4.897 4.740 -0.000 0.000 0.221 106 N C -1.730 173.801 175.510 0.035 0.000 1.412 106 N CA -0.078 52.994 53.050 0.036 0.000 1.003 106 N CB 0.783 39.287 38.487 0.029 0.000 1.525 106 N HN 0.124 nan 8.380 nan 0.000 0.552 107 A N -0.006 122.841 122.820 0.044 0.000 2.371 107 A HA 0.529 4.849 4.320 -0.000 0.000 0.257 107 A C 0.575 178.170 177.584 0.018 0.000 1.089 107 A CA 0.196 52.254 52.037 0.036 0.000 0.794 107 A CB 0.190 19.224 19.000 0.057 0.000 1.029 107 A HN 0.275 nan 8.150 nan 0.000 0.488 108 T N 1.179 115.724 114.554 -0.015 0.000 2.919 108 T HA 0.396 4.746 4.350 -0.000 0.000 0.302 108 T C 0.026 174.721 174.700 -0.008 0.000 1.031 108 T CA 0.079 62.155 62.100 -0.040 0.000 1.127 108 T CB 0.431 69.231 68.868 -0.114 0.000 0.952 108 T HN 0.425 nan 8.240 nan 0.000 0.540 109 V N 4.950 124.868 119.914 0.007 0.000 2.398 109 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 109 V C -0.044 176.075 176.094 0.042 0.000 1.026 109 V CA -0.767 61.560 62.300 0.046 0.000 0.868 109 V CB 1.340 33.205 31.823 0.070 0.000 0.982 109 V HN 0.678 nan 8.190 nan 0.000 0.443 110 L N 6.016 127.276 121.223 0.061 0.000 2.287 110 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 110 L C -0.588 176.468 176.870 0.310 0.000 1.022 110 L CA -0.280 54.590 54.840 0.050 0.000 0.814 110 L CB 1.505 43.458 42.059 -0.178 0.000 1.217 110 L HN 0.512 nan 8.230 nan 0.000 0.420 111 I N 3.400 124.200 120.570 0.384 0.000 2.354 111 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 111 I C -0.458 175.974 176.117 0.524 0.000 1.007 111 I CA -0.387 61.148 61.300 0.393 0.000 1.167 111 I CB 1.252 39.351 38.000 0.165 0.000 1.320 111 I HN 0.631 nan 8.210 nan 0.000 0.458 112 W N 8.551 130.002 121.300 0.251 0.000 2.315 112 W HA 0.541 5.201 4.660 -0.000 0.000 0.316 112 W C -1.419 175.010 176.519 -0.150 0.000 1.211 112 W CA -0.535 56.702 57.345 -0.179 0.000 1.201 112 W CB 1.165 30.529 29.460 -0.160 0.000 1.184 112 W HN 0.336 nan 8.180 nan 0.000 0.544 113 I N 8.919 128.846 120.570 -1.072 0.000 2.448 113 I HA 0.061 4.231 4.170 -0.000 0.000 0.281 113 I C -0.342 174.984 176.117 -1.320 0.000 1.027 113 I CA -1.092 59.667 61.300 -0.900 0.000 1.111 113 I CB 0.827 38.456 38.000 -0.619 0.000 1.236 113 I HN 0.297 nan 8.210 nan 0.000 0.452 114 Y N 4.600 124.448 120.300 -0.754 0.000 2.426 114 Y HA 0.673 5.223 4.550 -0.000 0.000 0.344 114 Y C 0.753 176.520 175.900 -0.222 0.000 1.256 114 Y CA -0.758 57.028 58.100 -0.522 0.000 1.451 114 Y CB -0.013 38.381 38.460 -0.109 0.000 1.342 114 Y HN 0.503 nan 8.280 nan 0.000 0.600 115 G N -0.842 108.009 108.800 0.085 0.000 2.568 115 G HA2 0.494 4.454 3.960 -0.000 0.000 0.293 115 G HA3 0.494 4.454 3.960 -0.000 0.000 0.293 115 G C 0.251 175.219 174.900 0.113 0.000 1.347 115 G CA -0.913 44.184 45.100 -0.005 0.000 1.039 115 G HN 1.709 nan 8.290 nan 0.000 0.523 116 G N -2.800 105.959 108.800 -0.069 0.000 2.321 116 G HA2 0.412 4.372 3.960 -0.000 0.000 0.219 116 G HA3 0.412 4.372 3.960 -0.000 0.000 0.219 116 G C 1.006 175.841 174.900 -0.108 0.000 1.057 116 G CA 0.709 45.780 45.100 -0.050 0.000 0.849 116 G HN 2.296 nan 8.290 nan 0.000 0.520 117 G N -0.363 108.267 108.800 -0.283 0.000 2.233 117 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.270 117 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.270 117 G C 0.933 175.824 174.900 -0.014 0.000 1.011 117 G CA 0.823 45.758 45.100 -0.276 0.000 0.762 117 G HN 1.773 nan 8.290 nan 0.000 0.511 118 F N -3.097 116.897 119.950 0.072 0.000 2.871 118 F HA -0.293 4.234 4.527 -0.000 0.000 0.326 118 F C 1.786 177.695 175.800 0.181 0.000 0.675 118 F CA 1.740 59.798 58.000 0.097 0.000 1.188 118 F CB -1.272 37.553 39.000 -0.292 0.000 1.567 118 F HN 0.429 nan 8.300 nan 0.000 0.325 119 Q N -0.635 119.318 119.800 0.255 0.000 2.391 119 Q HA 0.250 4.590 4.340 -0.000 0.000 0.243 119 Q C 1.175 177.269 176.000 0.157 0.000 0.874 119 Q CA 1.444 57.380 55.803 0.221 0.000 0.950 119 Q CB 0.852 29.681 28.738 0.151 0.000 1.103 119 Q HN 0.562 nan 8.270 nan 0.000 0.544 120 T N -2.887 111.738 114.554 0.119 0.000 2.804 120 T HA 0.791 5.141 4.350 -0.000 0.000 0.290 120 T C 0.083 174.822 174.700 0.065 0.000 1.099 120 T CA -0.369 61.773 62.100 0.069 0.000 1.011 120 T CB 2.402 71.292 68.868 0.037 0.000 1.291 120 T HN 0.343 nan 8.240 nan 0.000 0.523 121 G N -0.814 107.950 108.800 -0.060 0.000 2.484 121 G HA2 0.418 4.378 3.960 -0.000 0.000 0.685 121 G HA3 0.418 4.378 3.960 -0.000 0.000 0.685 121 G C -0.548 173.824 174.900 -0.880 0.000 1.294 121 G CA -0.079 44.837 45.100 -0.307 0.000 0.879 121 G HN 1.684 nan 8.290 nan 0.000 0.646 122 T N -1.488 112.338 114.554 -1.214 0.000 2.977 122 T HA 0.628 4.978 4.350 -0.000 0.000 0.345 122 T C 1.312 175.734 174.700 -0.464 0.000 1.562 122 T CA 0.943 62.472 62.100 -0.951 0.000 1.090 122 T CB 0.984 69.632 68.868 -0.367 0.000 1.383 122 T HN 2.139 nan 8.240 nan 0.000 0.484 123 S N 1.380 117.060 115.700 -0.033 0.000 2.561 123 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 123 S C 1.693 176.395 174.600 0.171 0.000 0.977 123 S CA 0.947 59.368 58.200 0.367 0.000 0.926 123 S CB -0.358 63.138 63.200 0.493 0.000 0.769 123 S HN 0.863 nan 8.310 nan 0.000 0.533 124 S N 0.919 116.505 115.700 -0.189 0.000 2.575 124 S HA 0.344 4.813 4.470 -0.000 0.000 0.215 124 S C 0.543 174.779 174.600 -0.607 0.000 0.966 124 S CA -0.636 57.084 58.200 -0.800 0.000 0.911 124 S CB -0.635 61.950 63.200 -1.025 0.000 0.780 124 S HN 0.482 nan 8.310 nan 0.000 0.514 125 L N 2.017 123.014 121.223 -0.377 0.000 2.483 125 L HA 0.101 4.440 4.340 -0.000 0.000 0.276 125 L C 2.205 178.797 176.870 -0.462 0.000 1.213 125 L CA -0.070 54.477 54.840 -0.488 0.000 0.843 125 L CB 0.128 41.713 42.059 -0.791 0.000 1.107 125 L HN 0.387 nan 8.230 nan 0.000 0.487 126 H N 2.234 121.029 119.070 -0.457 0.000 2.387 126 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 126 H C 1.663 176.742 175.328 -0.415 0.000 1.099 126 H CA 2.142 57.989 56.048 -0.335 0.000 1.315 126 H CB 0.480 30.096 29.762 -0.243 0.000 1.380 126 H HN 0.577 nan 8.280 nan 0.000 0.513 127 V N -1.188 118.307 119.914 -0.698 0.000 3.305 127 V HA -0.120 4.000 4.120 -0.000 0.000 0.269 127 V C 0.882 176.382 176.094 -0.990 0.000 1.157 127 V CA 0.873 62.724 62.300 -0.749 0.000 1.157 127 V CB -1.084 30.338 31.823 -0.669 0.000 0.772 127 V HN 0.262 nan 8.190 nan 0.000 0.498 128 Y N -0.234 119.436 120.300 -1.050 0.000 2.555 128 Y HA 0.448 4.998 4.550 -0.000 0.000 0.259 128 Y C 0.871 176.045 175.900 -1.209 0.000 1.179 128 Y CA -1.907 55.152 58.100 -1.734 0.000 1.230 128 Y CB -0.570 37.346 38.460 -0.907 0.000 1.146 128 Y HN 0.232 nan 8.280 nan 0.000 0.526 129 D N 0.932 120.918 120.400 -0.690 0.000 2.389 129 D HA 0.052 4.691 4.640 -0.000 0.000 0.263 129 D C 1.326 177.166 176.300 -0.767 0.000 1.255 129 D CA 0.483 54.134 54.000 -0.581 0.000 0.914 129 D CB 1.248 41.766 40.800 -0.469 0.000 1.116 129 D HN 0.465 nan 8.370 nan 0.000 0.502 130 G N 3.617 111.494 108.800 -1.538 0.000 3.088 130 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.212 130 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.212 130 G C 1.383 175.602 174.900 -1.135 0.000 1.173 130 G CA 0.133 44.560 45.100 -1.123 0.000 0.779 130 G HN 0.581 nan 8.290 nan 0.000 0.540 131 K N -0.226 119.352 120.400 -1.369 0.000 2.211 131 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 131 K C 1.671 177.975 176.600 -0.493 0.000 1.050 131 K CA 0.707 56.541 56.287 -0.756 0.000 0.945 131 K CB -0.433 31.720 32.500 -0.579 0.000 0.732 131 K HN 0.349 nan 8.250 nan 0.000 0.451 132 F N 1.729 121.490 119.950 -0.315 0.000 2.113 132 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 132 F C 2.282 177.998 175.800 -0.139 0.000 1.103 132 F CA 0.497 58.345 58.000 -0.254 0.000 1.248 132 F CB -0.261 38.631 39.000 -0.179 0.000 0.999 132 F HN -0.141 nan 8.300 nan 0.000 0.475 133 L N -0.029 121.207 121.223 0.022 0.000 2.046 133 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 133 L C 2.779 179.653 176.870 0.006 0.000 1.077 133 L CA 1.088 55.919 54.840 -0.014 0.000 0.747 133 L CB -0.865 41.136 42.059 -0.097 0.000 0.896 133 L HN 0.151 nan 8.230 nan 0.000 0.432 134 A N 0.045 122.864 122.820 -0.003 0.000 1.902 134 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 134 A C 2.323 179.945 177.584 0.062 0.000 1.181 134 A CA 1.968 54.041 52.037 0.060 0.000 0.623 134 A CB -0.457 18.615 19.000 0.121 0.000 0.818 134 A HN 0.310 nan 8.150 nan 0.000 0.443 135 R N -0.208 120.314 120.500 0.038 0.000 2.061 135 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 135 R C 1.868 178.233 176.300 0.108 0.000 1.140 135 R CA 2.243 58.379 56.100 0.059 0.000 0.940 135 R CB -1.080 29.220 30.300 -0.001 0.000 0.839 135 R HN 0.221 nan 8.270 nan 0.000 0.429 136 V N 0.936 120.931 119.914 0.135 0.000 2.358 136 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 136 V C 1.591 177.739 176.094 0.090 0.000 1.047 136 V CA 1.969 64.355 62.300 0.144 0.000 1.035 136 V CB -0.395 31.526 31.823 0.164 0.000 0.658 136 V HN 0.342 nan 8.190 nan 0.000 0.452 137 E N -0.817 119.422 120.200 0.065 0.000 2.498 137 E HA 0.163 4.513 4.350 -0.000 0.000 0.203 137 E C 0.538 177.166 176.600 0.046 0.000 1.013 137 E CA -0.225 56.204 56.400 0.048 0.000 0.927 137 E CB 0.405 30.118 29.700 0.022 0.000 1.012 137 E HN 0.346 nan 8.360 nan 0.000 0.482 138 R N -0.481 120.053 120.500 0.058 0.000 3.641 138 R HA -0.149 4.191 4.340 -0.000 0.000 0.286 138 R C 0.100 176.433 176.300 0.054 0.000 1.153 138 R CA 0.827 56.965 56.100 0.063 0.000 0.775 138 R CB -2.759 27.579 30.300 0.064 0.000 1.215 138 R HN 0.149 nan 8.270 nan 0.000 0.474 139 V N -2.583 117.357 119.914 0.043 0.000 2.966 139 V HA 0.643 4.763 4.120 -0.000 0.000 0.317 139 V C 0.966 177.108 176.094 0.081 0.000 1.070 139 V CA -1.095 61.226 62.300 0.034 0.000 1.008 139 V CB 2.188 34.004 31.823 -0.011 0.000 1.070 139 V HN 0.136 nan 8.190 nan 0.000 0.457 140 I N 1.704 122.331 120.570 0.095 0.000 2.353 140 I HA 0.450 4.620 4.170 -0.000 0.000 0.293 140 I C -0.620 175.604 176.117 0.179 0.000 0.992 140 I CA -0.610 60.782 61.300 0.153 0.000 1.268 140 I CB 1.825 39.908 38.000 0.138 0.000 1.387 140 I HN 0.426 nan 8.210 nan 0.000 0.478 141 V N 7.383 127.469 119.914 0.286 0.000 2.417 141 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 141 V C -0.087 176.309 176.094 0.503 0.000 1.024 141 V CA -0.604 61.922 62.300 0.376 0.000 0.861 141 V CB 1.877 33.913 31.823 0.355 0.000 0.985 141 V HN 0.385 nan 8.190 nan 0.000 0.436 142 V N 3.942 124.110 119.914 0.423 0.000 2.680 142 V HA 0.837 4.957 4.120 -0.000 0.000 0.309 142 V C -0.140 176.201 176.094 0.412 0.000 1.052 142 V CA -0.358 62.144 62.300 0.336 0.000 0.908 142 V CB 2.354 34.288 31.823 0.185 0.000 1.001 142 V HN 1.028 nan 8.190 nan 0.000 0.431 143 S N 4.800 120.717 115.700 0.362 0.000 2.541 143 S HA 0.891 5.361 4.470 -0.000 0.000 0.271 143 S C -0.946 173.794 174.600 0.233 0.000 1.133 143 S CA -0.819 57.616 58.200 0.392 0.000 0.876 143 S CB 2.338 65.905 63.200 0.611 0.000 1.105 143 S HN 0.926 nan 8.310 nan 0.000 0.470 144 M N 1.089 120.812 119.600 0.204 0.000 2.658 144 M HA 0.593 5.073 4.480 -0.000 0.000 0.295 144 M C -1.867 174.658 176.300 0.375 0.000 1.248 144 M CA -0.441 54.961 55.300 0.170 0.000 0.843 144 M CB 0.823 33.358 32.600 -0.108 0.000 1.749 144 M HN 0.784 nan 8.290 nan 0.000 0.464 145 N N 1.386 120.345 118.700 0.431 0.000 2.421 145 N HA 0.638 5.377 4.740 -0.000 0.000 0.285 145 N C -1.795 173.972 175.510 0.428 0.000 1.027 145 N CA -0.400 52.924 53.050 0.457 0.000 0.918 145 N CB 1.378 40.072 38.487 0.344 0.000 1.152 145 N HN 0.650 nan 8.380 nan 0.000 0.485 146 Y N -0.750 119.742 120.300 0.319 0.000 2.512 146 Y HA 0.508 5.058 4.550 -0.000 0.000 0.348 146 Y C -0.255 175.766 175.900 0.202 0.000 0.990 146 Y CA -1.432 56.788 58.100 0.200 0.000 1.033 146 Y CB 0.721 39.233 38.460 0.086 0.000 1.259 146 Y HN 0.216 nan 8.280 nan 0.000 0.461 147 R N 1.985 122.607 120.500 0.203 0.000 2.585 147 R HA 0.423 4.763 4.340 -0.000 0.000 0.275 147 R C -0.292 176.129 176.300 0.202 0.000 1.018 147 R CA 0.085 56.246 56.100 0.103 0.000 1.072 147 R CB 0.596 30.901 30.300 0.008 0.000 0.953 147 R HN 0.732 nan 8.270 nan 0.000 0.419 148 V N -0.338 119.697 119.914 0.202 0.000 3.155 148 V HA 0.904 5.024 4.120 -0.000 0.000 0.313 148 V C 0.624 176.923 176.094 0.342 0.000 1.162 148 V CA -0.137 62.403 62.300 0.400 0.000 1.048 148 V CB 1.305 33.311 31.823 0.304 0.000 1.092 148 V HN 0.988 nan 8.190 nan 0.000 0.447 149 G N 0.666 109.738 108.800 0.453 0.000 2.601 149 G HA2 0.062 4.021 3.960 -0.000 0.000 0.261 149 G HA3 0.062 4.021 3.960 -0.000 0.000 0.261 149 G C 0.984 176.056 174.900 0.287 0.000 1.289 149 G CA 0.896 46.212 45.100 0.360 0.000 0.920 149 G HN 2.260 nan 8.290 nan 0.000 0.571 150 A N -0.997 121.801 122.820 -0.037 0.000 1.940 150 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 150 A C 2.664 180.258 177.584 0.017 0.000 1.176 150 A CA 2.260 54.040 52.037 -0.429 0.000 0.631 150 A CB -0.369 18.187 19.000 -0.740 0.000 0.814 150 A HN 1.069 nan 8.150 nan 0.000 0.446 151 L N -1.227 120.012 121.223 0.026 0.000 2.353 151 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 151 L C 2.322 179.175 176.870 -0.029 0.000 1.133 151 L CA 0.920 55.720 54.840 -0.066 0.000 0.798 151 L CB -0.225 41.746 42.059 -0.146 0.000 0.922 151 L HN 0.527 nan 8.230 nan 0.000 0.445 152 G N -2.389 106.414 108.800 0.005 0.000 2.944 152 G HA2 0.063 4.023 3.960 -0.000 0.000 0.220 152 G HA3 0.063 4.023 3.960 -0.000 0.000 0.220 152 G C 0.703 175.219 174.900 -0.640 0.000 1.100 152 G CA -0.071 44.883 45.100 -0.244 0.000 0.780 152 G HN 0.264 nan 8.290 nan 0.000 0.539 153 F N -0.216 119.819 119.950 0.143 0.000 2.899 153 F HA 0.410 4.937 4.527 -0.000 0.000 0.337 153 F C 0.496 176.400 175.800 0.173 0.000 1.129 153 F CA -0.944 57.139 58.000 0.138 0.000 1.128 153 F CB 0.450 39.534 39.000 0.140 0.000 1.154 153 F HN -0.066 nan 8.300 nan 0.000 0.531 154 L N 2.402 123.742 121.223 0.195 0.000 2.628 154 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 154 L C 0.115 177.048 176.870 0.106 0.000 1.209 154 L CA 0.065 54.952 54.840 0.078 0.000 0.930 154 L CB 0.265 42.210 42.059 -0.191 0.000 1.183 154 L HN 0.153 nan 8.230 nan 0.000 0.492 155 A N 6.049 128.963 122.820 0.158 0.000 2.331 155 A HA 0.734 5.054 4.320 -0.000 0.000 0.320 155 A C -0.898 176.710 177.584 0.039 0.000 1.138 155 A CA -0.538 51.558 52.037 0.097 0.000 0.790 155 A CB 1.355 20.430 19.000 0.126 0.000 1.206 155 A HN 0.669 nan 8.150 nan 0.000 0.470 156 L N 4.113 125.343 121.223 0.011 0.000 2.448 156 L HA 0.319 4.659 4.340 -0.000 0.000 0.257 156 L C -2.392 174.479 176.870 0.001 0.000 1.504 156 L CA -1.245 53.588 54.840 -0.011 0.000 0.852 156 L CB 1.690 43.722 42.059 -0.045 0.000 1.051 156 L HN 0.506 nan 8.230 nan 0.000 0.518 157 P HA 0.070 nan 4.420 nan 0.000 0.257 157 P C 0.985 178.291 177.300 0.011 0.000 1.162 157 P CA 1.645 64.757 63.100 0.020 0.000 0.762 157 P CB 0.588 32.298 31.700 0.017 0.000 0.753 158 G N 2.468 111.279 108.800 0.019 0.000 2.234 158 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 158 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 158 G C 0.328 175.230 174.900 0.002 0.000 0.997 158 G CA -0.185 44.922 45.100 0.010 0.000 0.623 158 G HN 0.701 nan 8.290 nan 0.000 0.514 159 N N 1.470 120.169 118.700 -0.001 0.000 2.439 159 N HA 0.475 5.215 4.740 -0.000 0.000 0.249 159 N C -1.375 174.130 175.510 -0.008 0.000 1.003 159 N CA -1.908 51.137 53.050 -0.009 0.000 0.942 159 N CB 1.822 40.298 38.487 -0.019 0.000 1.115 159 N HN 0.000 nan 8.380 nan 0.000 0.505 160 P HA -0.078 nan 4.420 nan 0.000 0.223 160 P C 0.624 177.921 177.300 -0.005 0.000 1.144 160 P CA 0.934 64.025 63.100 -0.015 0.000 0.783 160 P CB 0.489 32.176 31.700 -0.021 0.000 0.771 161 E N -0.599 119.600 120.200 -0.002 0.000 2.208 161 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 161 E C 0.910 177.525 176.600 0.025 0.000 0.988 161 E CA 0.776 57.184 56.400 0.014 0.000 0.828 161 E CB -0.145 29.553 29.700 -0.002 0.000 0.763 161 E HN 0.148 nan 8.360 nan 0.000 0.478 162 A N 1.141 123.955 122.820 -0.010 0.000 3.068 162 A HA 0.243 4.563 4.320 -0.000 0.000 0.269 162 A C -2.199 175.382 177.584 -0.004 0.000 1.259 162 A CA -0.742 51.281 52.037 -0.025 0.000 0.938 162 A CB 0.631 19.519 19.000 -0.186 0.000 1.433 162 A HN -0.114 nan 8.150 nan 0.000 0.664 163 P HA 0.199 nan 4.420 nan 0.000 0.227 163 P C 0.890 178.241 177.300 0.086 0.000 1.161 163 P CA 1.715 64.843 63.100 0.047 0.000 0.788 163 P CB 0.298 32.024 31.700 0.042 0.000 0.822 164 G N 0.670 109.525 108.800 0.092 0.000 2.662 164 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 164 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 164 G C -0.214 174.762 174.900 0.126 0.000 1.271 164 G CA -0.306 44.865 45.100 0.119 0.000 0.816 164 G HN 0.116 nan 8.290 nan 0.000 0.608 165 N N -1.507 117.241 118.700 0.079 0.000 2.753 165 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 165 N C 1.600 177.006 175.510 -0.174 0.000 1.097 165 N CA 2.040 55.045 53.050 -0.074 0.000 0.786 165 N CB -1.191 37.222 38.487 -0.123 0.000 1.137 165 N HN 0.738 nan 8.380 nan 0.000 0.566 166 M N -0.498 119.004 119.600 -0.163 0.000 2.144 166 M HA -0.026 4.454 4.480 -0.000 0.000 0.260 166 M C 2.385 178.577 176.300 -0.180 0.000 1.067 166 M CA 2.211 57.477 55.300 -0.056 0.000 1.095 166 M CB -0.615 31.938 32.600 -0.080 0.000 1.365 166 M HN 0.337 nan 8.290 nan 0.000 0.406 167 G N -0.269 108.176 108.800 -0.593 0.000 2.422 167 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 167 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 167 G C 1.601 176.381 174.900 -0.201 0.000 1.146 167 G CA 0.645 45.555 45.100 -0.317 0.000 0.769 167 G HN 0.413 nan 8.290 nan 0.000 0.547 168 L N -0.895 120.096 121.223 -0.387 0.000 2.056 168 L HA 0.058 4.398 4.340 -0.000 0.000 0.207 168 L C 2.631 179.226 176.870 -0.458 0.000 1.078 168 L CA 0.758 55.222 54.840 -0.627 0.000 0.749 168 L CB -0.355 40.899 42.059 -1.342 0.000 0.901 168 L HN 0.170 nan 8.230 nan 0.000 0.433 169 F N 0.086 119.902 119.950 -0.223 0.000 2.293 169 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 169 F C 2.228 178.077 175.800 0.082 0.000 1.086 169 F CA 0.719 58.725 58.000 0.011 0.000 1.375 169 F CB -0.171 38.843 39.000 0.022 0.000 1.045 169 F HN 0.144 nan 8.300 nan 0.000 0.516 170 D N 0.043 120.577 120.400 0.224 0.000 2.097 170 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 170 D C 2.136 178.615 176.300 0.299 0.000 0.984 170 D CA 1.136 55.318 54.000 0.303 0.000 0.826 170 D CB -0.546 40.431 40.800 0.295 0.000 0.973 170 D HN 0.362 nan 8.370 nan 0.000 0.460 171 Q N 0.487 120.365 119.800 0.129 0.000 2.061 171 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 171 Q C 2.248 178.272 176.000 0.040 0.000 0.984 171 Q CA 1.344 57.153 55.803 0.009 0.000 0.846 171 Q CB -0.193 28.505 28.738 -0.067 0.000 0.902 171 Q HN 0.360 nan 8.270 nan 0.000 0.421 172 Q N 0.463 120.387 119.800 0.206 0.000 2.096 172 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 172 Q C 2.055 178.181 176.000 0.209 0.000 0.982 172 Q CA 1.080 57.037 55.803 0.257 0.000 0.850 172 Q CB -0.063 28.936 28.738 0.435 0.000 0.901 172 Q HN 0.298 nan 8.270 nan 0.000 0.422 173 L N 0.370 121.750 121.223 0.262 0.000 2.131 173 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 173 L C 2.132 179.123 176.870 0.202 0.000 1.092 173 L CA 1.974 56.983 54.840 0.282 0.000 0.759 173 L CB -0.693 41.590 42.059 0.373 0.000 0.903 173 L HN 0.285 nan 8.230 nan 0.000 0.435 174 A N -0.823 121.966 122.820 -0.052 0.000 1.930 174 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 174 A C 2.195 179.751 177.584 -0.047 0.000 1.175 174 A CA 1.594 53.392 52.037 -0.398 0.000 0.627 174 A CB -0.696 17.845 19.000 -0.764 0.000 0.815 174 A HN 0.457 nan 8.150 nan 0.000 0.443 175 L N -0.816 120.397 121.223 -0.017 0.000 2.083 175 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 175 L C 2.833 179.766 176.870 0.106 0.000 1.083 175 L CA 1.766 56.624 54.840 0.029 0.000 0.752 175 L CB -0.613 41.432 42.059 -0.023 0.000 0.899 175 L HN 0.539 nan 8.230 nan 0.000 0.433 176 Q N 0.035 119.916 119.800 0.134 0.000 2.084 176 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 176 Q C 2.049 178.131 176.000 0.136 0.000 0.978 176 Q CA 2.003 57.887 55.803 0.136 0.000 0.844 176 Q CB -0.595 28.238 28.738 0.158 0.000 0.898 176 Q HN 0.476 nan 8.270 nan 0.000 0.426 177 W N -0.367 120.941 121.300 0.013 0.000 2.338 177 W HA -0.213 4.447 4.660 -0.000 0.000 0.304 177 W C 1.777 178.291 176.519 -0.007 0.000 1.212 177 W CA 2.024 59.375 57.345 0.010 0.000 1.264 177 W CB -0.300 29.157 29.460 -0.004 0.000 1.142 177 W HN 0.053 nan 8.180 nan 0.000 0.512 178 V N 0.900 120.964 119.914 0.250 0.000 2.343 178 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 178 V C 2.578 178.627 176.094 -0.075 0.000 1.051 178 V CA 2.089 64.442 62.300 0.089 0.000 1.036 178 V CB -1.085 30.839 31.823 0.168 0.000 0.654 178 V HN 0.208 nan 8.190 nan 0.000 0.451 179 Q N 0.422 120.209 119.800 -0.020 0.000 2.061 179 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 179 Q C 2.254 178.195 176.000 -0.099 0.000 0.984 179 Q CA 1.732 57.517 55.803 -0.031 0.000 0.846 179 Q CB -0.360 28.385 28.738 0.013 0.000 0.902 179 Q HN 0.638 nan 8.270 nan 0.000 0.421 180 K N -0.182 120.121 120.400 -0.161 0.000 2.366 180 K HA 0.041 4.361 4.320 -0.000 0.000 0.198 180 K C 1.278 177.685 176.600 -0.323 0.000 1.044 180 K CA 0.561 56.723 56.287 -0.208 0.000 0.973 180 K CB 0.282 32.669 32.500 -0.189 0.000 0.767 180 K HN 0.181 nan 8.250 nan 0.000 0.475 181 N N 0.244 118.630 118.700 -0.522 0.000 2.297 181 N HA 0.018 4.758 4.740 -0.000 0.000 0.208 181 N C 1.514 176.865 175.510 -0.264 0.000 1.176 181 N CA 0.097 52.803 53.050 -0.573 0.000 0.882 181 N CB 0.328 38.048 38.487 -1.277 0.000 1.134 181 N HN -0.028 nan 8.380 nan 0.000 0.489 182 I N 2.667 123.098 120.570 -0.231 0.000 2.335 182 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 182 I C 2.215 178.396 176.117 0.107 0.000 1.129 182 I CA 0.761 62.065 61.300 0.006 0.000 1.402 182 I CB -0.315 37.680 38.000 -0.008 0.000 1.069 182 I HN 0.081 nan 8.210 nan 0.000 0.424 183 A N 0.220 123.047 122.820 0.012 0.000 1.940 183 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 183 A C 2.491 180.077 177.584 0.003 0.000 1.176 183 A CA 1.887 53.928 52.037 0.008 0.000 0.631 183 A CB -1.205 17.778 19.000 -0.029 0.000 0.814 183 A HN 0.499 nan 8.150 nan 0.000 0.446 184 A N -1.556 121.242 122.820 -0.036 0.000 2.019 184 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 184 A C 1.554 178.983 177.584 -0.258 0.000 1.164 184 A CA 1.232 53.165 52.037 -0.173 0.000 0.644 184 A CB -0.629 18.193 19.000 -0.297 0.000 0.805 184 A HN 0.490 nan 8.150 nan 0.000 0.449 185 F N -0.818 119.079 119.950 -0.088 0.000 2.732 185 F HA 0.372 4.899 4.527 -0.000 0.000 0.303 185 F C 1.732 177.533 175.800 0.002 0.000 1.110 185 F CA 0.406 58.372 58.000 -0.057 0.000 1.355 185 F CB 0.020 38.975 39.000 -0.074 0.000 1.081 185 F HN 0.321 nan 8.300 nan 0.000 0.565 186 G N 0.385 109.261 108.800 0.127 0.000 2.137 186 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.237 186 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.237 186 G C 0.505 175.465 174.900 0.101 0.000 1.002 186 G CA -0.201 44.956 45.100 0.095 0.000 0.702 186 G HN 0.744 nan 8.290 nan 0.000 0.515 187 G N -0.751 108.116 108.800 0.111 0.000 2.434 187 G HA2 0.546 4.506 3.960 -0.000 0.000 0.330 187 G HA3 0.546 4.506 3.960 -0.000 0.000 0.330 187 G C -0.292 174.638 174.900 0.049 0.000 1.155 187 G CA -0.186 44.964 45.100 0.083 0.000 0.917 187 G HN 0.495 nan 8.290 nan 0.000 0.493 188 N N 1.599 120.320 118.700 0.035 0.000 2.527 188 N HA 0.265 5.005 4.740 -0.000 0.000 0.236 188 N C -1.365 174.155 175.510 0.016 0.000 0.999 188 N CA -2.101 50.961 53.050 0.020 0.000 0.935 188 N CB 2.095 40.590 38.487 0.013 0.000 1.132 188 N HN 0.142 nan 8.380 nan 0.000 0.511 189 P HA -0.144 nan 4.420 nan 0.000 0.223 189 P C 0.372 177.682 177.300 0.016 0.000 1.144 189 P CA 1.134 64.242 63.100 0.013 0.000 0.783 189 P CB 0.293 31.992 31.700 -0.003 0.000 0.771 190 K N -0.539 119.865 120.400 0.007 0.000 2.459 190 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 190 K C 0.900 177.496 176.600 -0.007 0.000 1.030 190 K CA 0.311 56.599 56.287 0.001 0.000 1.026 190 K CB 0.101 32.600 32.500 -0.001 0.000 0.809 190 K HN -0.045 nan 8.250 nan 0.000 0.504 191 S N 1.234 116.931 115.700 -0.006 0.000 2.130 191 S HA 0.254 4.724 4.470 -0.000 0.000 0.165 191 S C -1.082 173.513 174.600 -0.008 0.000 1.677 191 S CA -0.633 57.552 58.200 -0.026 0.000 1.227 191 S CB 0.389 63.562 63.200 -0.045 0.000 1.115 191 S HN -0.136 nan 8.310 nan 0.000 0.452 192 V N 3.621 123.550 119.914 0.026 0.000 2.409 192 V HA 0.530 4.650 4.120 -0.000 0.000 0.291 192 V C 0.077 176.236 176.094 0.108 0.000 1.020 192 V CA -0.462 61.880 62.300 0.072 0.000 0.848 192 V CB 1.837 33.731 31.823 0.118 0.000 0.990 192 V HN 0.655 nan 8.190 nan 0.000 0.430 193 T N 6.609 121.208 114.554 0.075 0.000 2.779 193 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 193 T C -0.303 174.481 174.700 0.141 0.000 0.987 193 T CA -0.323 61.838 62.100 0.101 0.000 0.966 193 T CB 0.971 69.840 68.868 0.002 0.000 0.933 193 T HN 0.338 nan 8.240 nan 0.000 0.442 194 L N 4.769 126.085 121.223 0.155 0.000 2.325 194 L HA 0.755 5.095 4.340 -0.000 0.000 0.279 194 L C -0.616 176.427 176.870 0.287 0.000 1.054 194 L CA -0.939 53.971 54.840 0.116 0.000 0.804 194 L CB 0.694 42.612 42.059 -0.235 0.000 1.200 194 L HN 0.640 nan 8.230 nan 0.000 0.436 195 F N 0.435 120.392 119.950 0.013 0.000 2.628 195 F HA 0.929 5.456 4.527 -0.000 0.000 0.309 195 F C -0.461 175.263 175.800 -0.126 0.000 1.108 195 F CA -1.399 56.639 58.000 0.064 0.000 0.971 195 F CB 1.331 40.489 39.000 0.264 0.000 1.279 195 F HN 0.487 nan 8.300 nan 0.000 0.441 196 G N 1.218 109.772 108.800 -0.410 0.000 2.608 196 G HA2 0.517 4.477 3.960 -0.000 0.000 0.291 196 G HA3 0.517 4.477 3.960 -0.000 0.000 0.291 196 G C -2.479 172.082 174.900 -0.565 0.000 1.425 196 G CA -0.790 43.618 45.100 -1.154 0.000 0.787 196 G HN 0.874 nan 8.290 nan 0.000 0.484 197 E N 0.056 119.920 120.200 -0.560 0.000 2.266 197 E HA 0.619 4.969 4.350 -0.000 0.000 0.268 197 E C 0.566 177.096 176.600 -0.116 0.000 0.879 197 E CA 0.237 56.567 56.400 -0.117 0.000 0.762 197 E CB 2.180 31.960 29.700 0.134 0.000 1.199 197 E HN 0.801 nan 8.360 nan 0.000 0.422 198 S N 2.446 118.156 115.700 0.016 0.000 4.114 198 S HA -0.388 4.082 4.470 -0.000 0.000 0.618 198 S C 1.447 176.125 174.600 0.131 0.000 1.937 198 S CA 1.996 60.283 58.200 0.146 0.000 4.228 198 S CB -1.614 61.608 63.200 0.038 0.000 0.216 198 S HN 0.964 nan 8.310 nan 0.000 0.528 199 A N 0.950 123.691 122.820 -0.131 0.000 2.024 199 A HA 0.135 4.454 4.320 -0.000 0.000 0.220 199 A C 2.406 179.747 177.584 -0.405 0.000 1.164 199 A CA 2.463 54.235 52.037 -0.441 0.000 0.643 199 A CB -1.487 16.873 19.000 -1.068 0.000 0.806 199 A HN 1.535 nan 8.150 nan 0.000 0.451 200 G N -0.725 107.885 108.800 -0.318 0.000 2.403 200 G HA2 0.075 4.035 3.960 -0.000 0.000 0.216 200 G HA3 0.075 4.035 3.960 -0.000 0.000 0.216 200 G C 1.699 176.413 174.900 -0.309 0.000 1.154 200 G CA 1.196 46.058 45.100 -0.396 0.000 0.784 200 G HN 0.742 nan 8.290 nan 0.000 0.538 201 A N 1.258 123.951 122.820 -0.212 0.000 1.898 201 A HA 0.325 4.645 4.320 -0.000 0.000 0.216 201 A C 2.805 180.309 177.584 -0.132 0.000 1.181 201 A CA 2.079 54.021 52.037 -0.157 0.000 0.620 201 A CB -0.785 18.162 19.000 -0.087 0.000 0.819 201 A HN 0.734 nan 8.150 nan 0.000 0.442 202 A N -0.439 122.352 122.820 -0.048 0.000 1.940 202 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 202 A C 2.424 180.048 177.584 0.068 0.000 1.176 202 A CA 2.110 54.143 52.037 -0.007 0.000 0.631 202 A CB -0.809 18.254 19.000 0.105 0.000 0.814 202 A HN 0.451 nan 8.150 nan 0.000 0.446 203 S N -0.522 115.211 115.700 0.055 0.000 2.356 203 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 203 S C 1.904 176.529 174.600 0.042 0.000 1.032 203 S CA 1.356 59.573 58.200 0.028 0.000 1.005 203 S CB -0.497 62.656 63.200 -0.079 0.000 0.867 203 S HN 0.350 nan 8.310 nan 0.000 0.449 204 V N 2.584 122.485 119.914 -0.021 0.000 2.287 204 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 204 V C 2.741 178.847 176.094 0.019 0.000 1.053 204 V CA 2.080 64.361 62.300 -0.032 0.000 1.027 204 V CB -1.116 30.634 31.823 -0.121 0.000 0.646 204 V HN 0.720 nan 8.190 nan 0.000 0.447 205 S N -0.118 115.563 115.700 -0.030 0.000 2.400 205 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 205 S C 1.930 176.666 174.600 0.226 0.000 1.025 205 S CA 1.603 59.833 58.200 0.049 0.000 0.993 205 S CB -0.636 62.449 63.200 -0.192 0.000 0.808 205 S HN 0.533 nan 8.310 nan 0.000 0.478 206 L N 0.460 121.762 121.223 0.132 0.000 2.156 206 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 206 L C 2.860 179.751 176.870 0.036 0.000 1.095 206 L CA 1.155 56.030 54.840 0.059 0.000 0.770 206 L CB -0.667 41.434 42.059 0.071 0.000 0.914 206 L HN 0.403 nan 8.230 nan 0.000 0.439 207 H N -0.128 119.024 119.070 0.136 0.000 2.457 207 H HA -0.037 4.519 4.556 -0.000 0.000 0.294 207 H C 2.295 177.764 175.328 0.236 0.000 1.064 207 H CA 1.065 57.169 56.048 0.093 0.000 1.330 207 H CB 0.195 29.875 29.762 -0.137 0.000 1.395 207 H HN 0.334 nan 8.280 nan 0.000 0.541 208 L N -0.023 121.438 121.223 0.397 0.000 2.291 208 L HA -0.139 4.200 4.340 -0.000 0.000 0.214 208 L C 1.611 178.688 176.870 0.346 0.000 1.120 208 L CA 0.344 55.479 54.840 0.492 0.000 0.799 208 L CB 0.049 42.403 42.059 0.492 0.000 0.925 208 L HN 0.137 nan 8.230 nan 0.000 0.446 209 L N -1.817 119.516 121.223 0.183 0.000 2.463 209 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 209 L C 1.262 178.081 176.870 -0.085 0.000 1.088 209 L CA 0.736 55.612 54.840 0.061 0.000 0.849 209 L CB -0.074 41.935 42.059 -0.084 0.000 1.012 209 L HN -0.068 nan 8.230 nan 0.000 0.468 210 S N 0.353 115.920 115.700 -0.222 0.000 2.422 210 S HA 0.191 4.661 4.470 -0.000 0.000 0.283 210 S C -1.480 173.018 174.600 -0.170 0.000 1.163 210 S CA -1.211 56.716 58.200 -0.456 0.000 1.054 210 S CB 0.783 63.214 63.200 -1.282 0.000 0.967 210 S HN -0.035 nan 8.310 nan 0.000 0.499 211 P HA -0.078 nan 4.420 nan 0.000 0.216 211 P C 1.462 178.779 177.300 0.029 0.000 1.150 211 P CA 1.069 64.166 63.100 -0.006 0.000 0.843 211 P CB -0.049 31.627 31.700 -0.041 0.000 0.787 212 G N -1.395 107.394 108.800 -0.019 0.000 2.509 212 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 212 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 212 G C 1.362 176.343 174.900 0.134 0.000 1.124 212 G CA 0.647 45.784 45.100 0.062 0.000 0.776 212 G HN 0.247 nan 8.290 nan 0.000 0.547 213 S N -0.921 114.873 115.700 0.157 0.000 2.512 213 S HA 0.106 4.576 4.470 -0.000 0.000 0.216 213 S C 1.758 176.592 174.600 0.390 0.000 1.006 213 S CA -0.327 58.065 58.200 0.319 0.000 0.915 213 S CB -0.137 63.341 63.200 0.465 0.000 0.824 213 S HN 0.514 nan 8.310 nan 0.000 0.497 214 H N 3.226 122.382 119.070 0.144 0.000 2.325 214 H HA -0.125 4.431 4.556 -0.000 0.000 0.293 214 H C 1.759 177.035 175.328 -0.087 0.000 1.106 214 H CA 2.088 58.137 56.048 0.002 0.000 1.247 214 H CB -0.302 29.448 29.762 -0.021 0.000 1.359 214 H HN 0.482 nan 8.280 nan 0.000 0.488 215 S N -0.355 115.499 115.700 0.257 0.000 2.660 215 S HA 0.171 4.641 4.470 -0.000 0.000 0.227 215 S C 1.713 176.385 174.600 0.120 0.000 0.948 215 S CA -0.309 57.987 58.200 0.160 0.000 0.948 215 S CB -0.220 63.041 63.200 0.101 0.000 0.779 215 S HN 0.368 nan 8.310 nan 0.000 0.487 216 L N 0.573 121.913 121.223 0.194 0.000 2.640 216 L HA 0.481 4.821 4.340 -0.000 0.000 0.230 216 L C -0.027 177.036 176.870 0.323 0.000 1.123 216 L CA -0.233 54.746 54.840 0.231 0.000 0.900 216 L CB -0.037 42.165 42.059 0.238 0.000 1.146 216 L HN 0.545 nan 8.230 nan 0.000 0.484 217 F N -4.523 115.438 119.950 0.018 0.000 2.741 217 F HA 0.507 5.034 4.527 -0.000 0.000 0.313 217 F C 0.376 176.173 175.800 -0.005 0.000 1.153 217 F CA -0.945 57.056 58.000 0.001 0.000 0.931 217 F CB 0.726 39.721 39.000 -0.008 0.000 1.335 217 F HN -0.350 nan 8.300 nan 0.000 0.460 218 T N -0.458 114.107 114.554 0.019 0.000 3.053 218 T HA 0.367 4.717 4.350 -0.000 0.000 0.236 218 T C 0.561 175.212 174.700 -0.081 0.000 0.996 218 T CA 0.495 62.531 62.100 -0.108 0.000 1.185 218 T CB 0.044 68.879 68.868 -0.056 0.000 0.892 218 T HN 0.489 nan 8.240 nan 0.000 0.432 219 R N -0.188 120.372 120.500 0.099 0.000 2.930 219 R HA 0.803 5.143 4.340 -0.000 0.000 0.257 219 R C -1.613 174.914 176.300 0.378 0.000 1.107 219 R CA -0.774 55.413 56.100 0.145 0.000 0.999 219 R CB 1.973 32.182 30.300 -0.152 0.000 1.209 219 R HN 0.317 nan 8.270 nan 0.000 0.486 220 A N 1.237 124.290 122.820 0.388 0.000 2.475 220 A HA 0.682 5.002 4.320 -0.000 0.000 0.301 220 A C -1.172 176.525 177.584 0.188 0.000 1.059 220 A CA -0.618 51.591 52.037 0.287 0.000 0.710 220 A CB 1.219 20.363 19.000 0.240 0.000 1.288 220 A HN 0.563 nan 8.150 nan 0.000 0.408 221 I N 1.995 122.623 120.570 0.097 0.000 2.447 221 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 221 I C -1.469 174.654 176.117 0.010 0.000 1.023 221 I CA -0.584 60.691 61.300 -0.040 0.000 1.083 221 I CB 1.844 39.840 38.000 -0.007 0.000 1.245 221 I HN 0.403 nan 8.210 nan 0.000 0.434 222 L N 6.869 128.049 121.223 -0.072 0.000 2.318 222 L HA 0.390 4.730 4.340 -0.000 0.000 0.277 222 L C -0.296 176.563 176.870 -0.019 0.000 1.008 222 L CA -0.207 54.578 54.840 -0.092 0.000 0.846 222 L CB 1.207 43.121 42.059 -0.241 0.000 1.220 222 L HN 0.493 nan 8.230 nan 0.000 0.423 223 Q N 1.922 121.776 119.800 0.091 0.000 2.360 223 Q HA 0.449 4.789 4.340 -0.000 0.000 0.254 223 Q C 0.121 176.172 176.000 0.086 0.000 0.975 223 Q CA -0.506 55.406 55.803 0.182 0.000 0.912 223 Q CB 1.146 30.091 28.738 0.344 0.000 1.212 223 Q HN 0.601 nan 8.270 nan 0.000 0.452 224 S N 1.206 116.941 115.700 0.059 0.000 3.628 224 S HA -0.138 4.332 4.470 -0.000 0.000 0.373 224 S C 0.011 174.788 174.600 0.296 0.000 0.968 224 S CA 0.491 58.769 58.200 0.129 0.000 1.215 224 S CB -1.213 62.006 63.200 0.031 0.000 0.912 224 S HN 1.030 nan 8.310 nan 0.000 0.495 225 G N -0.509 108.401 108.800 0.184 0.000 2.377 225 G HA2 0.653 4.613 3.960 -0.000 0.000 0.297 225 G HA3 0.653 4.613 3.960 -0.000 0.000 0.297 225 G C -1.022 173.789 174.900 -0.147 0.000 1.547 225 G CA 0.208 45.423 45.100 0.191 0.000 0.833 225 G HN 1.466 nan 8.290 nan 0.000 0.583 226 S N -0.964 114.549 115.700 -0.311 0.000 2.586 226 S HA 0.462 4.932 4.470 -0.000 0.000 0.277 226 S C 0.509 174.774 174.600 -0.558 0.000 1.131 226 S CA -0.110 57.743 58.200 -0.579 0.000 0.848 226 S CB 0.575 63.292 63.200 -0.804 0.000 1.091 226 S HN 1.997 nan 8.310 nan 0.000 0.453 227 F N 1.695 121.433 119.950 -0.353 0.000 2.250 227 F HA -0.010 4.517 4.527 -0.000 0.000 0.301 227 F C 1.713 177.336 175.800 -0.296 0.000 1.077 227 F CA 1.363 59.198 58.000 -0.276 0.000 1.348 227 F CB -0.602 38.317 39.000 -0.135 0.000 1.040 227 F HN 0.673 nan 8.300 nan 0.000 0.509 228 N N 1.616 119.842 118.700 -0.790 0.000 2.461 228 N HA 0.080 4.820 4.740 -0.000 0.000 0.188 228 N C 0.434 175.669 175.510 -0.457 0.000 1.134 228 N CA 0.569 53.347 53.050 -0.454 0.000 0.878 228 N CB -0.581 37.627 38.487 -0.465 0.000 0.972 228 N HN 0.402 nan 8.380 nan 0.000 0.456 229 A N 2.381 124.790 122.820 -0.685 0.000 2.462 229 A HA 0.247 4.567 4.320 -0.000 0.000 0.243 229 A C -0.805 176.242 177.584 -0.894 0.000 1.076 229 A CA -1.116 50.359 52.037 -0.937 0.000 0.773 229 A CB 0.371 18.450 19.000 -1.535 0.000 1.010 229 A HN 0.114 nan 8.150 nan 0.000 0.493 230 P HA -0.158 nan 4.420 nan 0.000 0.220 230 P C 0.983 178.083 177.300 -0.334 0.000 1.144 230 P CA 1.577 64.391 63.100 -0.478 0.000 0.800 230 P CB -0.087 31.274 31.700 -0.565 0.000 0.772 231 W N -1.498 119.619 121.300 -0.304 0.000 3.278 231 W HA 0.565 5.225 4.660 -0.000 0.000 0.308 231 W C 1.234 177.698 176.519 -0.091 0.000 1.253 231 W CA 0.284 57.505 57.345 -0.207 0.000 1.759 231 W CB -1.027 28.261 29.460 -0.287 0.000 1.093 231 W HN -0.115 nan 8.180 nan 0.000 0.648 232 A N 1.393 123.918 122.820 -0.491 0.000 2.021 232 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 232 A C 0.753 178.267 177.584 -0.117 0.000 1.163 232 A CA 0.893 52.786 52.037 -0.241 0.000 0.676 232 A CB -0.396 18.230 19.000 -0.623 0.000 0.818 232 A HN 0.013 nan 8.150 nan 0.000 0.453 233 V N 0.781 120.615 119.914 -0.133 0.000 2.531 233 V HA 0.325 4.445 4.120 -0.000 0.000 0.301 233 V C -0.454 175.591 176.094 -0.082 0.000 1.034 233 V CA -0.629 61.599 62.300 -0.120 0.000 0.865 233 V CB 1.603 33.386 31.823 -0.065 0.000 0.995 233 V HN 0.214 nan 8.190 nan 0.000 0.424 234 T N 3.589 118.086 114.554 -0.094 0.000 2.817 234 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 234 T C 0.506 175.197 174.700 -0.016 0.000 0.964 234 T CA -0.206 61.862 62.100 -0.053 0.000 1.085 234 T CB 0.937 69.766 68.868 -0.065 0.000 0.921 234 T HN 0.911 nan 8.240 nan 0.000 0.502 235 S N 3.198 118.905 115.700 0.012 0.000 2.585 235 S HA 0.187 4.657 4.470 -0.000 0.000 0.273 235 S C 1.367 176.005 174.600 0.064 0.000 1.339 235 S CA -0.828 57.400 58.200 0.047 0.000 1.028 235 S CB 0.457 63.702 63.200 0.075 0.000 0.906 235 S HN 0.454 nan 8.310 nan 0.000 0.528 236 L N 1.636 122.899 121.223 0.067 0.000 2.129 236 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 236 L C 2.095 178.990 176.870 0.042 0.000 1.087 236 L CA 1.778 56.643 54.840 0.042 0.000 0.757 236 L CB -1.078 40.994 42.059 0.021 0.000 0.896 236 L HN 0.899 nan 8.230 nan 0.000 0.434 237 Y N 0.064 120.366 120.300 0.002 0.000 2.114 237 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 237 Y C 2.521 178.418 175.900 -0.006 0.000 1.143 237 Y CA 1.942 60.043 58.100 0.002 0.000 1.135 237 Y CB 0.086 38.548 38.460 0.003 0.000 0.980 237 Y HN 0.271 nan 8.280 nan 0.000 0.499 238 E N -0.454 119.858 120.200 0.187 0.000 2.072 238 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 238 E C 2.334 178.945 176.600 0.019 0.000 0.985 238 E CA 0.808 57.256 56.400 0.080 0.000 0.801 238 E CB -0.296 29.419 29.700 0.025 0.000 0.750 238 E HN 0.514 nan 8.360 nan 0.000 0.452 239 A N 1.868 124.700 122.820 0.020 0.000 1.883 239 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 239 A C 2.147 179.756 177.584 0.043 0.000 1.186 239 A CA 1.801 53.853 52.037 0.025 0.000 0.624 239 A CB -0.554 18.477 19.000 0.052 0.000 0.822 239 A HN 0.117 nan 8.150 nan 0.000 0.444 240 R N -0.425 120.085 120.500 0.015 0.000 2.083 240 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 240 R C 2.039 178.347 176.300 0.013 0.000 1.137 240 R CA 2.004 58.100 56.100 -0.007 0.000 0.951 240 R CB -0.421 29.829 30.300 -0.083 0.000 0.851 240 R HN 0.553 nan 8.270 nan 0.000 0.434 241 N N -0.016 118.700 118.700 0.027 0.000 2.381 241 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 241 N C 1.480 177.013 175.510 0.038 0.000 1.025 241 N CA 1.117 54.191 53.050 0.041 0.000 0.888 241 N CB 0.156 38.687 38.487 0.074 0.000 0.965 241 N HN 0.251 nan 8.380 nan 0.000 0.438 242 R N -1.448 119.067 120.500 0.025 0.000 2.112 242 R HA 0.118 4.458 4.340 -0.000 0.000 0.216 242 R C 1.785 178.205 176.300 0.199 0.000 1.080 242 R CA 1.240 57.354 56.100 0.023 0.000 0.996 242 R CB -0.255 29.904 30.300 -0.234 0.000 0.902 242 R HN 0.160 nan 8.270 nan 0.000 0.449 243 T N 1.804 116.479 114.554 0.202 0.000 2.746 243 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 243 T C 1.844 176.603 174.700 0.098 0.000 1.039 243 T CA 1.072 63.282 62.100 0.184 0.000 1.142 243 T CB -0.095 68.827 68.868 0.089 0.000 0.866 243 T HN 0.099 nan 8.240 nan 0.000 0.444 244 L N 0.815 122.078 121.223 0.067 0.000 2.056 244 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 244 L C 2.442 179.347 176.870 0.059 0.000 1.078 244 L CA 1.257 56.123 54.840 0.043 0.000 0.749 244 L CB -0.600 41.474 42.059 0.025 0.000 0.901 244 L HN 0.354 nan 8.230 nan 0.000 0.433 245 N N -0.146 118.601 118.700 0.077 0.000 2.166 245 N HA -0.207 4.533 4.740 -0.000 0.000 0.186 245 N C 1.799 177.378 175.510 0.115 0.000 1.019 245 N CA 0.685 53.785 53.050 0.084 0.000 0.856 245 N CB -0.009 38.528 38.487 0.083 0.000 0.993 245 N HN 0.142 nan 8.380 nan 0.000 0.426 246 L N 1.331 122.648 121.223 0.157 0.000 2.056 246 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 246 L C 2.250 179.177 176.870 0.095 0.000 1.078 246 L CA 1.214 56.154 54.840 0.166 0.000 0.749 246 L CB -0.602 41.578 42.059 0.203 0.000 0.901 246 L HN 0.047 nan 8.230 nan 0.000 0.433 247 A N -0.536 122.322 122.820 0.064 0.000 1.883 247 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 247 A C 2.457 180.063 177.584 0.037 0.000 1.186 247 A CA 2.155 54.212 52.037 0.034 0.000 0.624 247 A CB -0.642 18.367 19.000 0.014 0.000 0.822 247 A HN 0.477 nan 8.150 nan 0.000 0.444 248 K N -0.413 120.011 120.400 0.040 0.000 2.026 248 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 248 K C 1.813 178.432 176.600 0.033 0.000 1.048 248 K CA 1.417 57.723 56.287 0.031 0.000 0.929 248 K CB -0.341 32.176 32.500 0.028 0.000 0.713 248 K HN 0.450 nan 8.250 nan 0.000 0.439 249 L N 0.656 121.909 121.223 0.050 0.000 2.353 249 L HA -0.121 4.218 4.340 -0.000 0.000 0.220 249 L C 1.790 178.688 176.870 0.046 0.000 1.133 249 L CA 1.494 56.362 54.840 0.048 0.000 0.798 249 L CB -0.377 41.738 42.059 0.093 0.000 0.922 249 L HN 0.417 nan 8.230 nan 0.000 0.445 250 T N -4.376 110.209 114.554 0.051 0.000 3.174 250 T HA 0.323 4.673 4.350 -0.000 0.000 0.269 250 T C 1.178 175.899 174.700 0.033 0.000 1.017 250 T CA 0.166 62.295 62.100 0.048 0.000 0.899 250 T CB 0.558 69.462 68.868 0.060 0.000 1.077 250 T HN 0.328 nan 8.240 nan 0.000 0.552 251 G N 0.369 109.185 108.800 0.026 0.000 2.323 251 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.292 251 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.292 251 G C 0.570 175.482 174.900 0.019 0.000 1.040 251 G CA 0.116 45.227 45.100 0.018 0.000 0.942 251 G HN 0.634 nan 8.290 nan 0.000 0.506 252 c N 0.412 119.024 118.600 0.020 0.000 3.243 252 c HA 0.432 5.002 4.570 -0.000 0.000 0.286 252 c C 1.619 175.714 174.090 0.008 0.000 1.373 252 c CA 0.217 56.555 56.329 0.015 0.000 1.749 252 c CB -0.603 41.918 42.510 0.018 0.000 2.313 252 c HN 0.659 nan 8.230 nan 0.000 0.644 253 S N 1.895 117.601 115.700 0.009 0.000 2.525 253 S HA 0.361 4.831 4.470 -0.000 0.000 0.285 253 S C 0.154 174.755 174.600 0.002 0.000 1.283 253 S CA 0.545 58.748 58.200 0.005 0.000 1.072 253 S CB 0.531 63.735 63.200 0.008 0.000 0.867 253 S HN 0.483 nan 8.310 nan 0.000 0.492 257 E N 0.808 120.995 120.200 -0.021 0.000 2.150 257 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 257 E C 0.765 177.343 176.600 -0.036 0.000 0.985 257 E CA 1.453 57.834 56.400 -0.030 0.000 0.814 257 E CB 0.237 29.917 29.700 -0.033 0.000 0.752 257 E HN 0.606 nan 8.360 nan 0.000 0.466 258 T N 1.188 115.727 114.554 -0.026 0.000 2.867 258 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 258 T C 1.564 176.254 174.700 -0.017 0.000 1.057 258 T CA 0.919 63.005 62.100 -0.023 0.000 1.136 258 T CB -0.075 68.785 68.868 -0.013 0.000 0.874 258 T HN 0.202 nan 8.240 nan 0.000 0.466 259 E N 0.490 120.682 120.200 -0.013 0.000 2.208 259 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 259 E C 2.061 178.655 176.600 -0.010 0.000 0.988 259 E CA 0.568 56.965 56.400 -0.007 0.000 0.828 259 E CB -0.177 29.521 29.700 -0.004 0.000 0.763 259 E HN 0.507 nan 8.360 nan 0.000 0.478 260 I N 1.072 121.628 120.570 -0.023 0.000 2.226 260 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 260 I C 2.129 178.218 176.117 -0.047 0.000 1.100 260 I CA 0.687 61.968 61.300 -0.032 0.000 1.374 260 I CB -0.219 37.753 38.000 -0.046 0.000 1.057 260 I HN 0.138 nan 8.210 nan 0.000 0.413 261 I N 1.087 121.616 120.570 -0.069 0.000 2.252 261 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 261 I C 2.418 178.551 176.117 0.025 0.000 1.102 261 I CA 1.582 62.831 61.300 -0.086 0.000 1.385 261 I CB -1.277 36.666 38.000 -0.096 0.000 1.064 261 I HN 0.247 nan 8.210 nan 0.000 0.414 262 K N 0.123 120.537 120.400 0.024 0.000 2.063 262 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 262 K C 2.365 178.995 176.600 0.050 0.000 1.048 262 K CA 1.749 58.061 56.287 0.042 0.000 0.928 262 K CB -0.498 32.017 32.500 0.024 0.000 0.713 262 K HN 0.392 nan 8.250 nan 0.000 0.442 263 c N 1.313 119.934 118.600 0.035 0.000 2.436 263 c HA -0.074 4.496 4.570 -0.000 0.000 0.277 263 c C 2.431 176.559 174.090 0.064 0.000 1.241 263 c CA 0.645 56.997 56.329 0.037 0.000 1.721 263 c CB -0.941 41.582 42.510 0.022 0.000 2.043 263 c HN 0.423 nan 8.230 nan 0.000 0.472 264 L N 0.258 121.529 121.223 0.079 0.000 2.265 264 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 264 L C 2.731 179.747 176.870 0.244 0.000 1.117 264 L CA 1.209 56.142 54.840 0.155 0.000 0.782 264 L CB -0.578 41.559 42.059 0.131 0.000 0.914 264 L HN 0.383 nan 8.230 nan 0.000 0.441 265 R N -0.412 120.213 120.500 0.207 0.000 2.313 265 R HA 0.010 4.350 4.340 -0.000 0.000 0.199 265 R C 1.086 177.426 176.300 0.066 0.000 0.958 265 R CA 0.154 56.344 56.100 0.150 0.000 1.047 265 R CB -0.001 30.384 30.300 0.142 0.000 0.955 265 R HN 0.400 nan 8.270 nan 0.000 0.481 266 N N 0.066 118.804 118.700 0.063 0.000 2.250 266 N HA 0.014 4.754 4.740 -0.000 0.000 0.190 266 N C -0.107 175.423 175.510 0.034 0.000 1.116 266 N CA 0.310 53.382 53.050 0.037 0.000 0.881 266 N CB 0.558 39.065 38.487 0.033 0.000 1.006 266 N HN -0.041 nan 8.380 nan 0.000 0.491 267 K N 1.769 122.198 120.400 0.049 0.000 2.295 267 K HA 0.100 4.420 4.320 -0.000 0.000 0.270 267 K C -0.388 176.227 176.600 0.026 0.000 1.011 267 K CA -0.129 56.184 56.287 0.044 0.000 0.953 267 K CB 0.608 33.148 32.500 0.066 0.000 0.956 267 K HN -0.010 nan 8.250 nan 0.000 0.477 268 D N 2.418 122.831 120.400 0.021 0.000 2.302 268 D HA 0.099 4.739 4.640 -0.000 0.000 0.248 268 D C -1.481 174.824 176.300 0.008 0.000 1.094 268 D CA -1.983 52.022 54.000 0.009 0.000 0.897 268 D CB 0.812 41.619 40.800 0.012 0.000 1.200 268 D HN 0.104 nan 8.370 nan 0.000 0.429 269 P HA -0.217 nan 4.420 nan 0.000 0.218 269 P C 1.280 178.586 177.300 0.011 0.000 1.152 269 P CA 1.236 64.327 63.100 -0.015 0.000 0.857 269 P CB 0.391 32.075 31.700 -0.027 0.000 0.787 270 Q N -0.291 119.520 119.800 0.019 0.000 2.119 270 Q HA -0.186 4.154 4.340 -0.000 0.000 0.201 270 Q C 2.108 178.138 176.000 0.051 0.000 0.972 270 Q CA 1.591 57.414 55.803 0.033 0.000 0.847 270 Q CB -0.683 28.072 28.738 0.030 0.000 0.903 270 Q HN 0.391 nan 8.270 nan 0.000 0.433 271 E N -0.482 119.747 120.200 0.049 0.000 2.106 271 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 271 E C 2.008 178.658 176.600 0.083 0.000 0.984 271 E CA 0.707 57.147 56.400 0.065 0.000 0.806 271 E CB -0.026 29.707 29.700 0.055 0.000 0.750 271 E HN 0.348 nan 8.360 nan 0.000 0.458 272 I N 0.758 121.370 120.570 0.071 0.000 2.252 272 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 272 I C 2.322 178.488 176.117 0.082 0.000 1.102 272 I CA 0.813 62.160 61.300 0.079 0.000 1.385 272 I CB -0.175 37.864 38.000 0.065 0.000 1.064 272 I HN 0.213 nan 8.210 nan 0.000 0.414 273 L N -0.040 121.223 121.223 0.067 0.000 2.046 273 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 273 L C 2.588 179.512 176.870 0.089 0.000 1.077 273 L CA 0.939 55.821 54.840 0.070 0.000 0.747 273 L CB -0.512 41.578 42.059 0.051 0.000 0.896 273 L HN 0.280 nan 8.230 nan 0.000 0.432 274 L N 0.213 121.502 121.223 0.110 0.000 2.079 274 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 274 L C 1.637 178.668 176.870 0.268 0.000 1.081 274 L CA 1.957 56.894 54.840 0.162 0.000 0.752 274 L CB -0.494 41.660 42.059 0.159 0.000 0.896 274 L HN 0.249 nan 8.230 nan 0.000 0.433 275 N N -1.106 117.748 118.700 0.256 0.000 2.280 275 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 275 N C 1.332 177.014 175.510 0.287 0.000 1.109 275 N CA 0.220 53.497 53.050 0.379 0.000 0.855 275 N CB 0.132 38.788 38.487 0.283 0.000 0.974 275 N HN 0.411 nan 8.380 nan 0.000 0.482 276 E N 0.822 121.135 120.200 0.188 0.000 2.110 276 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 276 E C 1.872 178.531 176.600 0.098 0.000 0.988 276 E CA 1.058 57.609 56.400 0.251 0.000 0.804 276 E CB -0.046 29.799 29.700 0.241 0.000 0.745 276 E HN 0.443 nan 8.360 nan 0.000 0.458 277 A N 0.796 123.516 122.820 -0.168 0.000 1.902 277 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 277 A C 1.678 179.021 177.584 -0.400 0.000 1.181 277 A CA 1.139 52.936 52.037 -0.400 0.000 0.623 277 A CB -0.684 17.881 19.000 -0.725 0.000 0.818 277 A HN 0.231 nan 8.150 nan 0.000 0.443 278 F N 0.134 120.123 119.950 0.065 0.000 2.811 278 F HA 0.076 4.603 4.527 -0.000 0.000 0.301 278 F C 1.991 177.806 175.800 0.026 0.000 1.151 278 F CA 0.483 58.505 58.000 0.037 0.000 1.412 278 F CB -0.524 38.497 39.000 0.035 0.000 1.113 278 F HN 0.128 nan 8.300 nan 0.000 0.579 279 V N -2.480 117.528 119.914 0.156 0.000 2.759 279 V HA -0.052 4.068 4.120 -0.000 0.000 0.256 279 V C 0.702 176.804 176.094 0.013 0.000 1.080 279 V CA 0.465 62.828 62.300 0.105 0.000 1.101 279 V CB -0.957 30.930 31.823 0.106 0.000 0.698 279 V HN 0.023 nan 8.190 nan 0.000 0.477 280 V N 2.858 122.763 119.914 -0.015 0.000 2.398 280 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 280 V C -0.448 175.612 176.094 -0.056 0.000 1.026 280 V CA -0.987 61.285 62.300 -0.046 0.000 0.868 280 V CB 1.403 33.192 31.823 -0.057 0.000 0.982 280 V HN 0.254 nan 8.190 nan 0.000 0.443 281 P HA -0.144 nan 4.420 nan 0.000 0.214 281 P C -0.326 176.714 177.300 -0.434 0.000 1.163 281 P CA 1.588 64.476 63.100 -0.353 0.000 0.889 281 P CB 0.160 31.585 31.700 -0.458 0.000 0.790 282 Y N -0.327 119.986 120.300 0.021 0.000 2.609 282 Y HA 0.562 5.112 4.550 -0.000 0.000 0.350 282 Y C 0.993 176.883 175.900 -0.017 0.000 1.050 282 Y CA -1.152 56.952 58.100 0.007 0.000 1.290 282 Y CB 0.921 39.389 38.460 0.012 0.000 1.094 282 Y HN -0.080 nan 8.280 nan 0.000 0.583 283 G N 0.699 109.555 108.800 0.092 0.000 2.562 283 G HA2 0.521 4.481 3.960 -0.000 0.000 0.275 283 G HA3 0.521 4.481 3.960 -0.000 0.000 0.275 283 G C 0.082 174.967 174.900 -0.025 0.000 1.196 283 G CA -0.301 44.809 45.100 0.017 0.000 0.908 283 G HN 0.428 nan 8.290 nan 0.000 0.524 284 T N -2.347 112.164 114.554 -0.071 0.000 2.919 284 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 284 T C -1.902 172.712 174.700 -0.143 0.000 1.020 284 T CA -1.460 60.543 62.100 -0.163 0.000 0.994 284 T CB 1.993 70.754 68.868 -0.178 0.000 1.180 284 T HN 0.126 nan 8.240 nan 0.000 0.566 285 P HA 0.100 nan 4.420 nan 0.000 0.222 285 P C 1.444 178.754 177.300 0.017 0.000 1.147 285 P CA 0.541 63.627 63.100 -0.024 0.000 0.790 285 P CB -0.052 31.701 31.700 0.087 0.000 0.780 286 L N -1.337 119.831 121.223 -0.091 0.000 2.109 286 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 286 L C 1.133 177.924 176.870 -0.131 0.000 1.086 286 L CA 1.018 55.727 54.840 -0.218 0.000 0.760 286 L CB -0.720 41.120 42.059 -0.364 0.000 0.910 286 L HN -0.061 nan 8.230 nan 0.000 0.437 287 S N -0.368 115.281 115.700 -0.085 0.000 3.524 287 S HA -0.143 4.327 4.470 -0.000 0.000 0.377 287 S C 0.032 174.617 174.600 -0.026 0.000 0.949 287 S CA 0.080 58.248 58.200 -0.053 0.000 1.264 287 S CB -1.142 62.029 63.200 -0.049 0.000 0.918 287 S HN 0.100 nan 8.310 nan 0.000 0.517 288 V N 4.871 124.782 119.914 -0.004 0.000 2.125 288 V HA 0.193 4.313 4.120 -0.000 0.000 0.263 288 V C 1.619 177.702 176.094 -0.018 0.000 1.365 288 V CA -0.360 61.968 62.300 0.047 0.000 1.276 288 V CB 0.347 32.258 31.823 0.147 0.000 1.350 288 V HN 0.641 nan 8.190 nan 0.000 0.487 289 N N 2.198 120.872 118.700 -0.043 0.000 2.094 289 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 289 N C 0.119 175.297 175.510 -0.554 0.000 1.023 289 N CA 1.654 54.558 53.050 -0.243 0.000 0.857 289 N CB -0.023 38.399 38.487 -0.109 0.000 1.013 289 N HN 0.530 nan 8.380 nan 0.000 0.426 290 F N -0.316 119.679 119.950 0.074 0.000 2.610 290 F HA 0.535 5.061 4.527 -0.000 0.000 0.355 290 F C 0.769 176.550 175.800 -0.032 0.000 1.140 290 F CA -0.824 57.232 58.000 0.093 0.000 1.037 290 F CB 1.814 40.932 39.000 0.198 0.000 1.287 290 F HN -0.147 nan 8.300 nan 0.000 0.457 291 G N 2.264 110.999 108.800 -0.108 0.000 3.211 291 G HA2 0.694 4.654 3.960 -0.000 0.000 0.262 291 G HA3 0.694 4.654 3.960 -0.000 0.000 0.262 291 G C -3.148 171.369 174.900 -0.639 0.000 1.352 291 G CA -2.167 42.522 45.100 -0.685 0.000 1.004 291 G HN 0.140 nan 8.290 nan 0.000 0.559 292 P HA 0.262 nan 4.420 nan 0.000 0.268 292 P C -0.168 177.026 177.300 -0.176 0.000 1.208 292 P CA 0.319 63.162 63.100 -0.428 0.000 0.777 292 P CB 0.973 32.336 31.700 -0.561 0.000 0.875 293 T N -2.367 112.156 114.554 -0.051 0.000 2.868 293 T HA 0.362 4.712 4.350 -0.000 0.000 0.306 293 T C -0.623 174.085 174.700 0.013 0.000 1.224 293 T CA -0.842 61.253 62.100 -0.009 0.000 1.012 293 T CB 0.490 69.381 68.868 0.038 0.000 1.221 293 T HN -0.040 nan 8.240 nan 0.000 0.499 294 V N 3.503 123.425 119.914 0.014 0.000 2.364 294 V HA 0.156 4.276 4.120 -0.000 0.000 0.252 294 V C 1.124 177.247 176.094 0.047 0.000 1.075 294 V CA 0.140 62.453 62.300 0.023 0.000 1.033 294 V CB -0.465 31.365 31.823 0.011 0.000 1.116 294 V HN 1.045 nan 8.190 nan 0.000 0.488 295 D N 3.130 123.577 120.400 0.079 0.000 2.354 295 D HA 0.090 4.730 4.640 -0.000 0.000 0.209 295 D C 1.499 177.858 176.300 0.099 0.000 1.015 295 D CA 0.793 54.855 54.000 0.104 0.000 0.867 295 D CB 0.470 41.371 40.800 0.167 0.000 0.933 295 D HN 0.731 nan 8.370 nan 0.000 0.520 296 G N 0.804 109.655 108.800 0.084 0.000 2.162 296 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 296 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 296 G C 0.482 175.439 174.900 0.096 0.000 0.976 296 G CA 0.709 45.849 45.100 0.067 0.000 0.655 296 G HN 0.533 nan 8.290 nan 0.000 0.533 297 D N -1.624 118.876 120.400 0.168 0.000 3.195 297 D HA 0.222 4.862 4.640 -0.000 0.000 0.245 297 D C 1.667 178.146 176.300 0.298 0.000 1.462 297 D CA 0.581 54.733 54.000 0.254 0.000 1.259 297 D CB -0.446 40.565 40.800 0.352 0.000 1.199 297 D HN 0.158 nan 8.370 nan 0.000 0.345 298 F N 1.052 121.109 119.950 0.180 0.000 2.187 298 F HA 0.336 4.863 4.527 -0.000 0.000 0.295 298 F C 0.493 176.224 175.800 -0.115 0.000 1.091 298 F CA 0.778 58.700 58.000 -0.131 0.000 1.308 298 F CB 0.405 39.030 39.000 -0.625 0.000 1.030 298 F HN -0.076 nan 8.300 nan 0.000 0.487 299 L N 1.249 122.542 121.223 0.116 0.000 2.318 299 L HA 0.203 4.543 4.340 -0.000 0.000 0.277 299 L C 1.074 177.945 176.870 0.003 0.000 1.008 299 L CA -0.199 54.647 54.840 0.010 0.000 0.846 299 L CB 1.449 43.540 42.059 0.054 0.000 1.220 299 L HN 0.157 nan 8.230 nan 0.000 0.423 300 T N -1.356 113.176 114.554 -0.037 0.000 3.088 300 T HA 0.064 4.414 4.350 -0.000 0.000 0.259 300 T C 0.349 175.038 174.700 -0.020 0.000 1.122 300 T CA 0.276 62.365 62.100 -0.019 0.000 1.095 300 T CB 0.188 69.038 68.868 -0.031 0.000 0.930 300 T HN 0.490 nan 8.240 nan 0.000 0.508 301 D N -0.675 119.705 120.400 -0.033 0.000 2.692 301 D HA 0.288 4.928 4.640 -0.000 0.000 0.290 301 D C -1.124 175.153 176.300 -0.038 0.000 1.281 301 D CA -0.828 53.157 54.000 -0.026 0.000 0.804 301 D CB 1.248 42.032 40.800 -0.027 0.000 1.331 301 D HN 0.098 nan 8.370 nan 0.000 0.432 302 M N 2.339 121.928 119.600 -0.019 0.000 2.356 302 M HA 0.118 4.598 4.480 -0.000 0.000 0.348 302 M C -1.529 174.745 176.300 -0.042 0.000 1.595 302 M CA -0.966 54.324 55.300 -0.016 0.000 1.095 302 M CB 0.546 33.156 32.600 0.016 0.000 1.963 302 M HN 0.198 nan 8.290 nan 0.000 0.459 303 P HA -0.250 nan 4.420 nan 0.000 0.218 303 P C 0.685 177.985 177.300 0.000 0.000 1.154 303 P CA 1.530 64.441 63.100 -0.315 0.000 0.872 303 P CB -0.136 31.156 31.700 -0.680 0.000 0.790 304 D N -0.497 120.015 120.400 0.187 0.000 2.182 304 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 304 D C 1.853 178.256 176.300 0.172 0.000 0.986 304 D CA 1.252 55.408 54.000 0.260 0.000 0.847 304 D CB -1.300 39.608 40.800 0.179 0.000 0.942 304 D HN 0.254 nan 8.370 nan 0.000 0.467 305 I N 0.154 120.783 120.570 0.097 0.000 2.233 305 I HA -0.173 3.996 4.170 -0.000 0.000 0.243 305 I C 2.616 178.773 176.117 0.066 0.000 1.093 305 I CA 0.577 61.920 61.300 0.072 0.000 1.380 305 I CB -0.291 37.731 38.000 0.036 0.000 1.067 305 I HN -0.060 nan 8.210 nan 0.000 0.413 306 L N 0.235 121.479 121.223 0.035 0.000 2.079 306 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 306 L C 2.618 179.570 176.870 0.137 0.000 1.081 306 L CA 1.032 55.887 54.840 0.025 0.000 0.752 306 L CB -0.586 41.459 42.059 -0.023 0.000 0.896 306 L HN 0.297 nan 8.230 nan 0.000 0.433 307 L N 0.254 121.622 121.223 0.242 0.000 2.027 307 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 307 L C 2.473 179.527 176.870 0.306 0.000 1.074 307 L CA 1.819 56.874 54.840 0.358 0.000 0.745 307 L CB -0.520 41.824 42.059 0.476 0.000 0.898 307 L HN 0.163 nan 8.230 nan 0.000 0.433 308 E N -0.294 120.049 120.200 0.239 0.000 2.153 308 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 308 E C 1.614 178.384 176.600 0.285 0.000 0.988 308 E CA 1.445 57.991 56.400 0.242 0.000 0.811 308 E CB -0.250 29.554 29.700 0.174 0.000 0.746 308 E HN 0.587 nan 8.360 nan 0.000 0.466 309 L N -0.840 120.469 121.223 0.142 0.000 2.791 309 L HA 0.350 4.690 4.340 -0.000 0.000 0.239 309 L C 1.023 177.622 176.870 -0.450 0.000 1.203 309 L CA 0.067 54.943 54.840 0.059 0.000 1.002 309 L CB -0.055 42.007 42.059 0.004 0.000 1.295 309 L HN 0.303 nan 8.230 nan 0.000 0.504 310 G N 0.462 108.761 108.800 -0.836 0.000 2.283 310 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.280 310 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.280 310 G C 0.212 174.097 174.900 -1.693 0.000 1.029 310 G CA -0.021 43.694 45.100 -2.308 0.000 0.840 310 G HN 0.389 nan 8.290 nan 0.000 0.505 311 Q N -0.497 118.798 119.800 -0.840 0.000 2.569 311 Q HA 0.598 4.938 4.340 -0.000 0.000 0.226 311 Q C 0.020 175.858 176.000 -0.271 0.000 1.136 311 Q CA -0.054 55.430 55.803 -0.532 0.000 0.947 311 Q CB -0.107 28.481 28.738 -0.250 0.000 1.218 311 Q HN 0.918 nan 8.270 nan 0.000 0.547 312 F N -2.196 117.626 119.950 -0.213 0.000 2.799 312 F HA 0.378 4.905 4.527 -0.000 0.000 0.316 312 F C -0.523 175.244 175.800 -0.056 0.000 1.155 312 F CA -1.586 56.371 58.000 -0.072 0.000 0.916 312 F CB 0.867 39.882 39.000 0.026 0.000 1.294 312 F HN -0.029 nan 8.300 nan 0.000 0.447 313 K N 2.093 122.657 120.400 0.273 0.000 2.491 313 K HA 0.070 4.390 4.320 -0.000 0.000 0.279 313 K C -0.686 176.038 176.600 0.207 0.000 1.026 313 K CA -0.137 56.161 56.287 0.018 0.000 1.070 313 K CB 0.464 32.826 32.500 -0.229 0.000 0.887 313 K HN 0.514 nan 8.250 nan 0.000 0.481 314 K N 3.342 123.774 120.400 0.054 0.000 2.285 314 K HA 0.185 4.505 4.320 -0.000 0.000 0.286 314 K C -0.013 176.674 176.600 0.146 0.000 1.072 314 K CA -0.146 56.208 56.287 0.112 0.000 0.913 314 K CB 1.351 33.862 32.500 0.019 0.000 1.067 314 K HN 0.824 nan 8.250 nan 0.000 0.479 315 T N 1.165 115.907 114.554 0.313 0.000 2.658 315 T HA 0.223 4.573 4.350 -0.000 0.000 0.306 315 T C -1.482 173.440 174.700 0.370 0.000 1.544 315 T CA -0.639 61.605 62.100 0.239 0.000 0.991 315 T CB 0.678 69.612 68.868 0.110 0.000 1.774 315 T HN 0.374 nan 8.240 nan 0.000 0.479 316 Q N 1.115 121.075 119.800 0.266 0.000 2.259 316 Q HA 0.743 5.083 4.340 -0.000 0.000 0.246 316 Q C -0.178 176.075 176.000 0.420 0.000 0.920 316 Q CA -0.392 55.627 55.803 0.360 0.000 0.895 316 Q CB 1.010 29.956 28.738 0.345 0.000 1.220 316 Q HN 0.666 nan 8.270 nan 0.000 0.439 317 I N -1.604 119.171 120.570 0.341 0.000 2.730 317 I HA 0.631 4.801 4.170 -0.000 0.000 0.298 317 I C -1.420 174.641 176.117 -0.093 0.000 1.089 317 I CA -1.352 60.017 61.300 0.114 0.000 1.041 317 I CB 1.784 39.641 38.000 -0.238 0.000 1.235 317 I HN 0.504 nan 8.210 nan 0.000 0.423 318 L N 6.076 127.007 121.223 -0.486 0.000 2.343 318 L HA 0.758 5.098 4.340 -0.000 0.000 0.278 318 L C -1.353 175.294 176.870 -0.371 0.000 0.996 318 L CA -0.566 53.847 54.840 -0.712 0.000 0.831 318 L CB 1.555 42.666 42.059 -1.580 0.000 1.232 318 L HN 0.584 nan 8.230 nan 0.000 0.413 319 V N 3.592 123.346 119.914 -0.267 0.000 2.914 319 V HA 0.982 5.102 4.120 -0.000 0.000 0.314 319 V C 0.230 175.748 176.094 -0.960 0.000 1.084 319 V CA -0.338 61.719 62.300 -0.405 0.000 0.963 319 V CB 1.794 33.443 31.823 -0.290 0.000 1.025 319 V HN 0.897 nan 8.190 nan 0.000 0.432 320 G N 0.893 108.972 108.800 -1.201 0.000 2.523 320 G HA2 0.742 4.702 3.960 -0.000 0.000 0.291 320 G HA3 0.742 4.702 3.960 -0.000 0.000 0.291 320 G C -1.499 172.841 174.900 -0.934 0.000 1.450 320 G CA 0.113 43.965 45.100 -2.081 0.000 0.790 320 G HN 1.418 nan 8.290 nan 0.000 0.496 321 V N -2.364 117.238 119.914 -0.520 0.000 3.181 321 V HA 0.810 4.930 4.120 -0.000 0.000 0.308 321 V C -1.140 175.065 176.094 0.184 0.000 1.214 321 V CA -1.533 60.777 62.300 0.017 0.000 1.053 321 V CB 1.934 33.884 31.823 0.212 0.000 1.069 321 V HN 0.647 nan 8.190 nan 0.000 0.441 322 N N 0.904 119.708 118.700 0.173 0.000 2.466 322 N HA 0.418 5.158 4.740 -0.000 0.000 0.294 322 N C 0.570 176.106 175.510 0.043 0.000 1.129 322 N CA -0.514 52.632 53.050 0.160 0.000 0.931 322 N CB 1.868 40.464 38.487 0.181 0.000 1.193 322 N HN 0.945 nan 8.380 nan 0.000 0.500 323 K N 0.155 120.459 120.400 -0.160 0.000 2.152 323 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 323 K C -0.573 176.095 176.600 0.113 0.000 1.048 323 K CA 1.327 57.539 56.287 -0.125 0.000 0.933 323 K CB 0.213 32.589 32.500 -0.207 0.000 0.721 323 K HN 0.497 nan 8.250 nan 0.000 0.447 324 D N 0.913 121.365 120.400 0.086 0.000 3.010 324 D HA 0.026 4.666 4.640 -0.000 0.000 0.347 324 D C 0.229 176.580 176.300 0.085 0.000 1.340 324 D CA -0.083 53.979 54.000 0.103 0.000 0.858 324 D CB 1.082 41.923 40.800 0.070 0.000 1.111 324 D HN 0.156 nan 8.370 nan 0.000 0.482 325 E N 0.555 120.816 120.200 0.101 0.000 2.147 325 E HA -0.165 4.185 4.350 -0.000 0.000 0.199 325 E C 1.990 178.635 176.600 0.075 0.000 1.005 325 E CA 1.016 57.436 56.400 0.033 0.000 0.810 325 E CB -0.000 29.718 29.700 0.031 0.000 0.736 325 E HN 0.419 nan 8.360 nan 0.000 0.460 326 G N 1.011 109.892 108.800 0.134 0.000 2.464 326 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 326 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 326 G C 1.728 176.715 174.900 0.144 0.000 1.138 326 G CA 1.416 46.604 45.100 0.147 0.000 0.793 326 G HN 0.410 nan 8.290 nan 0.000 0.539 327 T N 0.357 114.962 114.554 0.085 0.000 2.653 327 T HA -0.159 4.190 4.350 -0.000 0.000 0.268 327 T C 2.581 177.238 174.700 -0.072 0.000 1.035 327 T CA 2.119 64.254 62.100 0.058 0.000 1.154 327 T CB -0.760 68.096 68.868 -0.020 0.000 0.862 327 T HN 0.440 nan 8.240 nan 0.000 0.441 328 A N 1.226 123.888 122.820 -0.263 0.000 2.009 328 A HA -0.024 4.296 4.320 -0.000 0.000 0.222 328 A C 1.994 179.340 177.584 -0.398 0.000 1.175 328 A CA 1.850 53.559 52.037 -0.547 0.000 0.651 328 A CB -1.188 17.349 19.000 -0.771 0.000 0.815 328 A HN 0.646 nan 8.150 nan 0.000 0.459 329 F N -0.597 119.342 119.950 -0.018 0.000 2.743 329 F HA 0.176 4.703 4.527 -0.000 0.000 0.297 329 F C 1.780 177.779 175.800 0.331 0.000 1.131 329 F CA 0.229 58.319 58.000 0.151 0.000 1.426 329 F CB -0.295 38.773 39.000 0.112 0.000 1.116 329 F HN 0.072 nan 8.300 nan 0.000 0.583 330 L N 0.119 121.526 121.223 0.305 0.000 2.191 330 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 330 L C 2.087 179.063 176.870 0.176 0.000 1.103 330 L CA 0.877 55.762 54.840 0.075 0.000 0.769 330 L CB -0.760 41.025 42.059 -0.456 0.000 0.908 330 L HN 0.172 nan 8.230 nan 0.000 0.438 331 V N -5.354 114.756 119.914 0.326 0.000 3.646 331 V HA -0.067 4.053 4.120 -0.000 0.000 0.277 331 V C 0.655 176.841 176.094 0.154 0.000 1.274 331 V CA 0.332 62.825 62.300 0.320 0.000 1.164 331 V CB -1.197 30.826 31.823 0.335 0.000 0.926 331 V HN 0.269 nan 8.190 nan 0.000 0.442 332 Y N 1.441 121.873 120.300 0.221 0.000 2.774 332 Y HA 0.735 5.285 4.550 -0.000 0.000 0.305 332 Y C 1.475 177.400 175.900 0.043 0.000 1.067 332 Y CA 0.081 58.263 58.100 0.135 0.000 1.304 332 Y CB 0.941 39.475 38.460 0.123 0.000 1.209 332 Y HN 0.332 nan 8.280 nan 0.000 0.543 333 G N -0.697 108.185 108.800 0.138 0.000 3.382 333 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.214 333 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.214 333 G C 0.185 175.103 174.900 0.030 0.000 1.025 333 G CA -0.334 44.783 45.100 0.029 0.000 0.869 333 G HN 0.412 nan 8.290 nan 0.000 0.458 334 A N 3.103 125.975 122.820 0.086 0.000 2.491 334 A HA 0.610 4.930 4.320 -0.000 0.000 0.261 334 A C -1.517 176.279 177.584 0.353 0.000 1.101 334 A CA -0.572 51.578 52.037 0.189 0.000 0.772 334 A CB -0.144 18.925 19.000 0.115 0.000 1.043 334 A HN 0.240 nan 8.150 nan 0.000 0.501 335 P HA 0.188 nan 4.420 nan 0.000 0.268 335 P C 0.906 178.335 177.300 0.214 0.000 1.205 335 P CA 1.349 64.572 63.100 0.204 0.000 0.771 335 P CB 0.960 32.733 31.700 0.122 0.000 0.858 336 G N 1.434 110.286 108.800 0.087 0.000 2.205 336 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 336 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 336 G C -0.180 174.582 174.900 -0.231 0.000 0.980 336 G CA -0.314 44.732 45.100 -0.089 0.000 0.632 336 G HN 0.436 nan 8.290 nan 0.000 0.533 337 F N 0.985 120.957 119.950 0.037 0.000 2.397 337 F HA 0.772 5.299 4.527 -0.000 0.000 0.331 337 F C 0.709 176.585 175.800 0.128 0.000 1.090 337 F CA 0.092 58.125 58.000 0.054 0.000 1.065 337 F CB 2.233 41.324 39.000 0.151 0.000 1.184 337 F HN 0.178 nan 8.300 nan 0.000 0.499 338 S N 0.817 116.739 115.700 0.370 0.000 2.558 338 S HA 0.229 4.699 4.470 -0.000 0.000 0.277 338 S C -0.055 174.811 174.600 0.442 0.000 1.143 338 S CA -0.915 57.480 58.200 0.324 0.000 0.865 338 S CB 1.162 64.463 63.200 0.167 0.000 1.102 338 S HN 0.751 nan 8.310 nan 0.000 0.454 339 K N 1.288 121.850 120.400 0.270 0.000 2.487 339 K HA 0.184 4.504 4.320 -0.000 0.000 0.192 339 K C -0.164 176.493 176.600 0.094 0.000 1.027 339 K CA 0.697 57.094 56.287 0.183 0.000 1.054 339 K CB -0.039 32.370 32.500 -0.152 0.000 0.824 339 K HN 0.409 nan 8.250 nan 0.000 0.510 340 D N 1.148 121.600 120.400 0.086 0.000 2.363 340 D HA 0.037 4.676 4.640 -0.000 0.000 0.214 340 D C -0.535 175.813 176.300 0.079 0.000 1.093 340 D CA 0.138 54.160 54.000 0.036 0.000 0.837 340 D CB 0.188 40.979 40.800 -0.015 0.000 0.948 340 D HN 0.487 nan 8.370 nan 0.000 0.507 341 N N -0.846 117.940 118.700 0.144 0.000 2.825 341 N HA 0.005 4.745 4.740 -0.000 0.000 0.253 341 N C 0.129 175.690 175.510 0.086 0.000 1.426 341 N CA -0.742 52.358 53.050 0.083 0.000 0.851 341 N CB 0.186 38.677 38.487 0.006 0.000 1.470 341 N HN -0.323 nan 8.380 nan 0.000 0.517 342 N N -0.789 117.901 118.700 -0.017 0.000 2.635 342 N HA -0.081 4.659 4.740 -0.000 0.000 0.191 342 N C -0.639 174.540 175.510 -0.552 0.000 1.155 342 N CA 0.636 53.596 53.050 -0.150 0.000 0.927 342 N CB -0.507 37.933 38.487 -0.077 0.000 0.976 342 N HN 0.548 nan 8.380 nan 0.000 0.448 343 S N -0.622 114.772 115.700 -0.510 0.000 3.549 343 S HA -0.144 4.326 4.470 -0.000 0.000 0.366 343 S C -0.056 174.134 174.600 -0.683 0.000 1.012 343 S CA 0.203 57.975 58.200 -0.713 0.000 1.141 343 S CB -1.492 61.007 63.200 -1.169 0.000 0.910 343 S HN 0.418 nan 8.310 nan 0.000 0.471 344 I N 2.526 122.848 120.570 -0.414 0.000 2.483 344 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 344 I C 0.915 176.859 176.117 -0.288 0.000 1.112 344 I CA 0.322 61.442 61.300 -0.301 0.000 1.350 344 I CB -0.780 37.108 38.000 -0.187 0.000 1.419 344 I HN 0.414 nan 8.210 nan 0.000 0.523 345 I N 3.934 124.327 120.570 -0.295 0.000 2.924 345 I HA 0.672 4.842 4.170 -0.000 0.000 0.316 345 I C 0.623 176.685 176.117 -0.091 0.000 1.014 345 I CA -0.643 60.524 61.300 -0.221 0.000 1.106 345 I CB 1.858 39.696 38.000 -0.269 0.000 1.311 345 I HN 0.505 nan 8.210 nan 0.000 0.502 346 T N -0.689 113.794 114.554 -0.119 0.000 2.936 346 T HA 0.361 4.711 4.350 -0.000 0.000 0.282 346 T C 0.914 175.342 174.700 -0.453 0.000 1.003 346 T CA -0.655 61.320 62.100 -0.209 0.000 1.005 346 T CB 1.801 70.585 68.868 -0.139 0.000 1.097 346 T HN 0.842 nan 8.240 nan 0.000 0.532 347 R N 0.291 120.291 120.500 -0.834 0.000 2.103 347 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 347 R C 2.119 178.276 176.300 -0.238 0.000 1.142 347 R CA 1.764 57.276 56.100 -0.979 0.000 0.960 347 R CB -0.348 29.620 30.300 -0.552 0.000 0.858 347 R HN 0.636 nan 8.270 nan 0.000 0.439 348 K N 0.861 121.179 120.400 -0.136 0.000 2.097 348 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 348 K C 1.674 178.291 176.600 0.028 0.000 1.049 348 K CA 1.936 58.210 56.287 -0.021 0.000 0.933 348 K CB 0.039 32.526 32.500 -0.022 0.000 0.717 348 K HN 0.352 nan 8.250 nan 0.000 0.442 349 E N -1.012 119.199 120.200 0.017 0.000 2.072 349 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 349 E C 1.823 178.532 176.600 0.182 0.000 0.982 349 E CA 1.023 57.471 56.400 0.080 0.000 0.803 349 E CB -0.258 29.466 29.700 0.040 0.000 0.755 349 E HN 0.314 nan 8.360 nan 0.000 0.453 350 F N 2.307 122.283 119.950 0.044 0.000 2.095 350 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 350 F C 2.241 178.135 175.800 0.157 0.000 1.104 350 F CA 1.762 59.861 58.000 0.166 0.000 1.232 350 F CB -0.034 39.079 39.000 0.189 0.000 0.987 350 F HN -0.077 nan 8.300 nan 0.000 0.475 351 Q N -0.159 119.789 119.800 0.247 0.000 2.124 351 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 351 Q C 2.080 178.109 176.000 0.049 0.000 0.977 351 Q CA 1.602 57.485 55.803 0.134 0.000 0.850 351 Q CB -0.271 28.561 28.738 0.156 0.000 0.901 351 Q HN 0.441 nan 8.270 nan 0.000 0.429 352 E N -0.079 120.159 120.200 0.063 0.000 2.150 352 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 352 E C 2.065 178.696 176.600 0.051 0.000 0.985 352 E CA 1.091 57.521 56.400 0.050 0.000 0.814 352 E CB -0.301 29.432 29.700 0.055 0.000 0.752 352 E HN 0.479 nan 8.360 nan 0.000 0.466 353 G N 1.354 110.195 108.800 0.068 0.000 2.418 353 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 353 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 353 G C 1.737 176.723 174.900 0.144 0.000 1.158 353 G CA 0.434 45.603 45.100 0.116 0.000 0.771 353 G HN 0.180 nan 8.290 nan 0.000 0.545 354 L N -0.157 121.078 121.223 0.020 0.000 2.083 354 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 354 L C 2.993 180.015 176.870 0.253 0.000 1.083 354 L CA 0.936 55.881 54.840 0.175 0.000 0.752 354 L CB -0.339 41.714 42.059 -0.010 0.000 0.899 354 L HN 0.090 nan 8.230 nan 0.000 0.433 355 K N 0.415 120.882 120.400 0.111 0.000 2.009 355 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 355 K C 2.061 178.674 176.600 0.022 0.000 1.049 355 K CA 1.447 57.774 56.287 0.066 0.000 0.929 355 K CB -0.298 32.209 32.500 0.011 0.000 0.714 355 K HN 0.190 nan 8.250 nan 0.000 0.440 356 I N 0.175 120.718 120.570 -0.045 0.000 2.208 356 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 356 I C 2.142 178.046 176.117 -0.355 0.000 1.097 356 I CA 1.436 62.602 61.300 -0.223 0.000 1.363 356 I CB -0.924 36.864 38.000 -0.352 0.000 1.051 356 I HN 0.001 nan 8.210 nan 0.000 0.413 357 F N -0.714 119.175 119.950 -0.103 0.000 2.664 357 F HA 0.039 4.565 4.527 -0.000 0.000 0.296 357 F C 0.851 176.268 175.800 -0.638 0.000 1.125 357 F CA 0.404 58.184 58.000 -0.367 0.000 1.444 357 F CB -0.108 38.605 39.000 -0.478 0.000 1.114 357 F HN -0.136 nan 8.300 nan 0.000 0.576 358 F N 0.352 120.372 119.950 0.116 0.000 2.577 358 F HA 0.319 4.846 4.527 -0.000 0.000 0.342 358 F C -1.596 174.254 175.800 0.084 0.000 1.479 358 F CA -2.370 55.696 58.000 0.109 0.000 1.110 358 F CB -0.145 38.922 39.000 0.113 0.000 1.306 358 F HN -0.244 nan 8.300 nan 0.000 0.554 359 P HA -0.200 nan 4.420 nan 0.000 0.217 359 P C 1.496 178.876 177.300 0.134 0.000 1.158 359 P CA 1.940 65.103 63.100 0.105 0.000 0.887 359 P CB 0.277 32.039 31.700 0.103 0.000 0.792 360 G N -0.550 108.347 108.800 0.162 0.000 3.233 360 G HA2 0.253 4.213 3.960 -0.000 0.000 0.227 360 G HA3 0.253 4.213 3.960 -0.000 0.000 0.227 360 G C 0.300 175.281 174.900 0.134 0.000 1.175 360 G CA -0.129 45.055 45.100 0.141 0.000 0.781 360 G HN 0.164 nan 8.290 nan 0.000 0.542 361 V N 1.847 121.866 119.914 0.176 0.000 2.546 361 V HA 0.329 4.449 4.120 -0.000 0.000 0.284 361 V C 1.045 177.210 176.094 0.118 0.000 1.050 361 V CA -0.718 61.676 62.300 0.157 0.000 0.981 361 V CB 1.289 33.265 31.823 0.254 0.000 0.990 361 V HN 0.453 nan 8.190 nan 0.000 0.474 362 S N 2.800 118.559 115.700 0.097 0.000 2.572 362 S HA 0.027 4.497 4.470 -0.000 0.000 0.267 362 S C 0.995 175.669 174.600 0.123 0.000 1.361 362 S CA 0.065 58.332 58.200 0.111 0.000 1.009 362 S CB 0.599 63.881 63.200 0.136 0.000 0.888 362 S HN 0.758 nan 8.310 nan 0.000 0.553 363 E N 0.380 120.657 120.200 0.127 0.000 2.153 363 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 363 E C 1.402 178.089 176.600 0.144 0.000 0.988 363 E CA 1.335 57.806 56.400 0.119 0.000 0.811 363 E CB -0.400 29.366 29.700 0.109 0.000 0.746 363 E HN 0.766 nan 8.360 nan 0.000 0.466 364 F N -0.378 119.607 119.950 0.058 0.000 2.146 364 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 364 F C 1.996 177.861 175.800 0.107 0.000 1.096 364 F CA 1.679 59.722 58.000 0.072 0.000 1.275 364 F CB -0.480 38.553 39.000 0.056 0.000 1.008 364 F HN 0.079 nan 8.300 nan 0.000 0.480 365 G N 0.660 109.457 108.800 -0.005 0.000 2.440 365 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 365 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 365 G C 1.660 176.532 174.900 -0.047 0.000 1.154 365 G CA 0.972 46.041 45.100 -0.052 0.000 0.767 365 G HN 0.377 nan 8.290 nan 0.000 0.552 366 K N 0.202 120.586 120.400 -0.027 0.000 2.103 366 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 366 K C 2.338 178.909 176.600 -0.049 0.000 1.052 366 K CA 0.988 57.244 56.287 -0.050 0.000 0.945 366 K CB -0.090 32.418 32.500 0.013 0.000 0.722 366 K HN 0.332 nan 8.250 nan 0.000 0.443 367 E N 0.862 121.026 120.200 -0.060 0.000 2.106 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 367 E C 2.145 178.694 176.600 -0.084 0.000 0.984 367 E CA 1.448 57.829 56.400 -0.032 0.000 0.806 367 E CB 0.050 29.740 29.700 -0.016 0.000 0.750 367 E HN 0.308 nan 8.360 nan 0.000 0.458 368 S N 0.633 116.174 115.700 -0.265 0.000 2.382 368 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 368 S C 2.011 176.510 174.600 -0.170 0.000 1.027 368 S CA 0.784 58.841 58.200 -0.238 0.000 0.991 368 S CB -0.440 62.510 63.200 -0.417 0.000 0.823 368 S HN 0.196 nan 8.310 nan 0.000 0.469 369 I N 1.235 121.716 120.570 -0.148 0.000 2.202 369 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 369 I C 2.612 178.721 176.117 -0.014 0.000 1.091 369 I CA 1.356 62.529 61.300 -0.211 0.000 1.368 369 I CB -0.415 37.447 38.000 -0.231 0.000 1.058 369 I HN 0.309 nan 8.210 nan 0.000 0.410 370 L N 0.184 121.471 121.223 0.107 0.000 2.046 370 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 370 L C 2.535 179.403 176.870 -0.004 0.000 1.077 370 L CA 1.583 56.545 54.840 0.204 0.000 0.747 370 L CB -0.361 41.858 42.059 0.267 0.000 0.896 370 L HN 0.137 nan 8.230 nan 0.000 0.432 371 F N -0.143 119.720 119.950 -0.146 0.000 2.102 371 F HA -0.294 4.232 4.527 -0.000 0.000 0.298 371 F C 2.494 178.112 175.800 -0.304 0.000 1.105 371 F CA 2.156 60.036 58.000 -0.200 0.000 1.239 371 F CB -0.347 38.571 39.000 -0.136 0.000 0.991 371 F HN 0.268 nan 8.300 nan 0.000 0.474 372 H N -1.467 117.385 119.070 -0.363 0.000 2.387 372 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 372 H C 1.257 176.149 175.328 -0.725 0.000 1.090 372 H CA 2.290 57.935 56.048 -0.673 0.000 1.332 372 H CB -0.432 28.562 29.762 -1.280 0.000 1.386 372 H HN 0.408 nan 8.280 nan 0.000 0.516 373 Y N -0.566 119.420 120.300 -0.523 0.000 2.468 373 Y HA 0.115 4.665 4.550 -0.000 0.000 0.268 373 Y C 1.433 176.890 175.900 -0.739 0.000 1.177 373 Y CA 0.663 58.487 58.100 -0.460 0.000 1.265 373 Y CB 0.610 39.010 38.460 -0.101 0.000 1.103 373 Y HN 0.335 nan 8.280 nan 0.000 0.522 374 T N -4.703 109.320 114.554 -0.886 0.000 3.132 374 T HA 0.076 4.426 4.350 -0.000 0.000 0.274 374 T C 0.192 173.862 174.700 -1.716 0.000 1.011 374 T CA -0.269 60.822 62.100 -1.682 0.000 0.899 374 T CB -0.105 68.061 68.868 -1.170 0.000 1.089 374 T HN -0.041 nan 8.240 nan 0.000 0.543 375 D N 2.022 121.775 120.400 -1.079 0.000 2.608 375 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 375 D C -0.340 175.672 176.300 -0.479 0.000 1.123 375 D CA -0.818 52.736 54.000 -0.744 0.000 1.030 375 D CB -0.599 39.833 40.800 -0.614 0.000 1.093 375 D HN 0.477 nan 8.370 nan 0.000 0.497 376 W N 2.224 123.369 121.300 -0.260 0.000 2.484 376 W HA -0.002 4.658 4.660 -0.000 0.000 0.337 376 W C 0.705 177.126 176.519 -0.163 0.000 1.214 376 W CA -1.013 56.202 57.345 -0.217 0.000 1.296 376 W CB 0.356 29.688 29.460 -0.214 0.000 1.174 376 W HN -0.020 nan 8.180 nan 0.000 0.564 381 R N 3.581 123.946 120.500 -0.226 0.000 2.504 381 R HA 0.013 4.352 4.340 -0.000 0.000 0.291 381 R C -1.675 174.467 176.300 -0.263 0.000 0.974 381 R CA -0.271 55.694 56.100 -0.225 0.000 1.077 381 R CB 0.201 30.354 30.300 -0.245 0.000 0.926 381 R HN 0.340 nan 8.270 nan 0.000 0.407 382 P HA -0.157 nan 4.420 nan 0.000 0.226 382 P C 0.268 177.469 177.300 -0.166 0.000 1.153 382 P CA 1.233 64.242 63.100 -0.152 0.000 0.777 382 P CB 0.327 31.963 31.700 -0.107 0.000 0.794 383 E N -1.078 119.011 120.200 -0.186 0.000 2.451 383 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 383 E C 0.899 177.365 176.600 -0.223 0.000 1.027 383 E CA -0.218 56.086 56.400 -0.160 0.000 0.914 383 E CB -0.734 28.909 29.700 -0.096 0.000 1.054 383 E HN 0.065 nan 8.360 nan 0.000 0.461 384 N N 1.157 119.572 118.700 -0.475 0.000 2.069 384 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 384 N C 1.235 176.384 175.510 -0.603 0.000 1.031 384 N CA 1.418 53.919 53.050 -0.916 0.000 0.852 384 N CB -0.455 36.747 38.487 -2.142 0.000 1.018 384 N HN 0.292 nan 8.380 nan 0.000 0.423 385 Y N 1.116 121.251 120.300 -0.275 0.000 2.263 385 Y HA 0.029 4.579 4.550 -0.000 0.000 0.292 385 Y C 2.608 178.647 175.900 0.233 0.000 1.130 385 Y CA 0.764 58.886 58.100 0.035 0.000 1.179 385 Y CB -0.243 38.244 38.460 0.044 0.000 0.998 385 Y HN 0.030 nan 8.280 nan 0.000 0.532 386 R N 0.825 121.468 120.500 0.237 0.000 2.073 386 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 386 R C 1.817 178.329 176.300 0.354 0.000 1.134 386 R CA 2.000 58.252 56.100 0.254 0.000 0.952 386 R CB -0.164 30.103 30.300 -0.055 0.000 0.850 386 R HN 0.410 nan 8.270 nan 0.000 0.433 387 E N -0.211 120.129 120.200 0.232 0.000 2.106 387 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 387 E C 1.940 178.724 176.600 0.308 0.000 0.984 387 E CA 0.922 57.474 56.400 0.253 0.000 0.806 387 E CB -0.049 29.750 29.700 0.165 0.000 0.750 387 E HN 0.453 nan 8.360 nan 0.000 0.458 388 A N 1.351 124.382 122.820 0.353 0.000 1.902 388 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 388 A C 2.161 180.027 177.584 0.470 0.000 1.181 388 A CA 0.986 53.282 52.037 0.433 0.000 0.623 388 A CB -0.490 18.750 19.000 0.399 0.000 0.818 388 A HN 0.198 nan 8.150 nan 0.000 0.443 389 L N 0.053 121.649 121.223 0.622 0.000 2.083 389 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 389 L C 2.415 179.334 176.870 0.081 0.000 1.083 389 L CA 2.092 57.147 54.840 0.357 0.000 0.752 389 L CB -0.994 41.278 42.059 0.356 0.000 0.899 389 L HN 0.321 nan 8.230 nan 0.000 0.433 390 G N -1.208 107.693 108.800 0.169 0.000 2.421 390 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 390 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 390 G C 1.314 176.265 174.900 0.086 0.000 1.171 390 G CA 0.808 45.976 45.100 0.113 0.000 0.775 390 G HN 0.401 nan 8.290 nan 0.000 0.543 391 D N 0.235 120.727 120.400 0.154 0.000 2.144 391 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 391 D C 2.762 179.088 176.300 0.045 0.000 0.984 391 D CA 0.711 54.824 54.000 0.188 0.000 0.834 391 D CB -0.247 40.763 40.800 0.349 0.000 0.955 391 D HN 0.189 nan 8.370 nan 0.000 0.465 392 V N 0.910 120.707 119.914 -0.196 0.000 2.261 392 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 392 V C 2.704 178.676 176.094 -0.204 0.000 1.047 392 V CA 1.131 63.224 62.300 -0.344 0.000 1.015 392 V CB -0.424 31.223 31.823 -0.294 0.000 0.642 392 V HN 0.049 nan 8.190 nan 0.000 0.446 393 V N 0.636 120.394 119.914 -0.259 0.000 2.358 393 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 393 V C 2.579 178.561 176.094 -0.186 0.000 1.047 393 V CA 2.155 64.226 62.300 -0.381 0.000 1.035 393 V CB -1.329 30.091 31.823 -0.670 0.000 0.658 393 V HN 0.615 nan 8.190 nan 0.000 0.452 394 G N -0.362 108.424 108.800 -0.025 0.000 2.414 394 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 394 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 394 G C 1.248 176.215 174.900 0.111 0.000 1.188 394 G CA 0.984 46.175 45.100 0.153 0.000 0.783 394 G HN 0.483 nan 8.290 nan 0.000 0.537 395 D N -0.466 119.970 120.400 0.060 0.000 2.104 395 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 395 D C 1.993 178.107 176.300 -0.309 0.000 0.994 395 D CA 1.024 55.048 54.000 0.041 0.000 0.830 395 D CB -0.419 40.579 40.800 0.329 0.000 0.959 395 D HN 0.356 nan 8.370 nan 0.000 0.452 396 Y N 1.680 121.440 120.300 -0.900 0.000 2.163 396 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 396 Y C 1.796 177.314 175.900 -0.636 0.000 1.136 396 Y CA 1.443 58.807 58.100 -1.226 0.000 1.147 396 Y CB -0.242 37.263 38.460 -1.592 0.000 0.987 396 Y HN -0.089 nan 8.280 nan 0.000 0.509 397 N N -1.219 117.065 118.700 -0.693 0.000 2.376 397 N HA -0.027 4.713 4.740 -0.000 0.000 0.177 397 N C 0.785 175.711 175.510 -0.974 0.000 1.024 397 N CA 1.330 53.829 53.050 -0.919 0.000 0.893 397 N CB 0.042 37.924 38.487 -1.008 0.000 0.980 397 N HN 0.392 nan 8.380 nan 0.000 0.439 398 F N -0.296 119.588 119.950 -0.110 0.000 2.102 398 F HA 0.337 4.864 4.527 -0.000 0.000 0.254 398 F C 2.023 177.826 175.800 0.005 0.000 0.975 398 F CA -0.450 57.549 58.000 -0.001 0.000 1.176 398 F CB -0.175 38.870 39.000 0.075 0.000 1.358 398 F HN -0.231 nan 8.300 nan 0.000 0.728 399 I N 0.468 121.192 120.570 0.257 0.000 2.076 399 I HA -0.352 3.818 4.170 -0.000 0.000 0.237 399 I C 2.201 178.397 176.117 0.130 0.000 1.059 399 I CA 1.661 63.092 61.300 0.218 0.000 1.317 399 I CB -0.675 37.464 38.000 0.231 0.000 1.037 399 I HN 0.317 nan 8.210 nan 0.000 0.398 400 c N 0.670 119.320 118.600 0.082 0.000 2.425 400 c HA -0.067 4.503 4.570 -0.000 0.000 0.277 400 c C 0.311 174.414 174.090 0.023 0.000 1.280 400 c CA 0.833 57.209 56.329 0.078 0.000 1.744 400 c CB -1.913 40.688 42.510 0.151 0.000 1.989 400 c HN 0.386 nan 8.230 nan 0.000 0.491 401 P HA -0.037 nan 4.420 nan 0.000 0.217 401 P C 1.619 178.887 177.300 -0.054 0.000 1.151 401 P CA 2.179 65.206 63.100 -0.121 0.000 0.828 401 P CB -0.160 31.367 31.700 -0.288 0.000 0.788 402 A N -0.639 122.187 122.820 0.011 0.000 1.898 402 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 402 A C 2.185 179.887 177.584 0.196 0.000 1.181 402 A CA 1.361 53.456 52.037 0.097 0.000 0.620 402 A CB -1.641 17.453 19.000 0.158 0.000 0.819 402 A HN 0.101 nan 8.150 nan 0.000 0.442 403 L N -1.052 120.232 121.223 0.101 0.000 2.056 403 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 403 L C 2.648 179.501 176.870 -0.028 0.000 1.078 403 L CA 1.657 56.436 54.840 -0.102 0.000 0.749 403 L CB -0.351 41.604 42.059 -0.173 0.000 0.901 403 L HN 0.420 nan 8.230 nan 0.000 0.433 404 E N 0.084 120.302 120.200 0.031 0.000 2.106 404 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 404 E C 1.935 178.556 176.600 0.035 0.000 0.984 404 E CA 1.225 57.651 56.400 0.044 0.000 0.806 404 E CB -0.247 29.478 29.700 0.042 0.000 0.750 404 E HN 0.365 nan 8.360 nan 0.000 0.458 405 F N 0.509 120.391 119.950 -0.113 0.000 2.102 405 F HA -0.184 4.342 4.527 -0.000 0.000 0.298 405 F C 2.086 177.854 175.800 -0.053 0.000 1.105 405 F CA 2.016 59.928 58.000 -0.146 0.000 1.239 405 F CB -0.655 38.181 39.000 -0.274 0.000 0.991 405 F HN -0.020 nan 8.300 nan 0.000 0.474 406 T N 0.731 115.286 114.554 0.002 0.000 2.746 406 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 406 T C 1.995 176.636 174.700 -0.097 0.000 1.039 406 T CA 1.705 63.721 62.100 -0.140 0.000 1.142 406 T CB -0.362 68.310 68.868 -0.326 0.000 0.866 406 T HN 0.275 nan 8.240 nan 0.000 0.444 407 K N 0.899 121.301 120.400 0.003 0.000 2.026 407 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 407 K C 2.215 178.898 176.600 0.138 0.000 1.048 407 K CA 1.123 57.546 56.287 0.226 0.000 0.929 407 K CB 0.030 32.663 32.500 0.223 0.000 0.713 407 K HN 0.027 nan 8.250 nan 0.000 0.439 408 K N 0.276 120.711 120.400 0.057 0.000 2.057 408 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 408 K C 2.016 178.697 176.600 0.135 0.000 1.049 408 K CA 1.236 57.579 56.287 0.093 0.000 0.931 408 K CB -0.596 31.938 32.500 0.057 0.000 0.714 408 K HN 0.223 nan 8.250 nan 0.000 0.440 409 F N 2.389 122.181 119.950 -0.262 0.000 2.134 409 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 409 F C 2.469 178.326 175.800 0.095 0.000 1.097 409 F CA 1.922 59.735 58.000 -0.312 0.000 1.264 409 F CB -0.229 38.301 39.000 -0.783 0.000 1.001 409 F HN 0.103 nan 8.300 nan 0.000 0.479 410 S N -0.628 115.252 115.700 0.300 0.000 2.447 410 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 410 S C 1.651 176.350 174.600 0.165 0.000 1.006 410 S CA 1.185 59.548 58.200 0.272 0.000 0.957 410 S CB -0.755 62.619 63.200 0.289 0.000 0.773 410 S HN 0.586 nan 8.310 nan 0.000 0.507 411 E N -0.193 120.086 120.200 0.130 0.000 2.463 411 E HA -0.078 4.272 4.350 -0.000 0.000 0.201 411 E C 0.111 176.572 176.600 -0.231 0.000 1.045 411 E CA 0.737 57.111 56.400 -0.044 0.000 0.872 411 E CB -0.142 29.509 29.700 -0.082 0.000 0.797 411 E HN 0.792 nan 8.360 nan 0.000 0.538 412 W N -0.176 121.126 121.300 0.003 0.000 3.194 412 W HA 0.280 4.940 4.660 -0.000 0.000 0.408 412 W C 1.228 177.719 176.519 -0.046 0.000 1.072 412 W CA 0.432 57.747 57.345 -0.049 0.000 1.953 412 W CB 0.771 30.162 29.460 -0.115 0.000 1.091 412 W HN 0.089 nan 8.180 nan 0.000 0.699 413 G N 0.279 109.134 108.800 0.092 0.000 2.195 413 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 413 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 413 G C 0.148 175.116 174.900 0.114 0.000 0.984 413 G CA -0.280 44.868 45.100 0.080 0.000 0.633 413 G HN 0.331 nan 8.290 nan 0.000 0.525 414 N N 0.825 119.625 118.700 0.167 0.000 2.508 414 N HA 0.499 5.239 4.740 -0.000 0.000 0.285 414 N C -0.184 175.450 175.510 0.207 0.000 1.144 414 N CA -0.711 52.470 53.050 0.219 0.000 0.978 414 N CB 0.419 39.121 38.487 0.357 0.000 1.180 414 N HN 0.147 nan 8.380 nan 0.000 0.484 415 N N 0.771 119.571 118.700 0.168 0.000 2.492 415 N HA 0.368 5.108 4.740 -0.000 0.000 0.262 415 N C -1.046 174.478 175.510 0.024 0.000 1.202 415 N CA 0.042 53.116 53.050 0.042 0.000 0.926 415 N CB 0.792 39.335 38.487 0.093 0.000 1.078 415 N HN 0.565 nan 8.380 nan 0.000 0.454 416 A N 1.886 124.568 122.820 -0.230 0.000 2.449 416 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 416 A C -1.478 175.813 177.584 -0.487 0.000 1.048 416 A CA -0.612 51.339 52.037 -0.143 0.000 0.708 416 A CB 0.777 19.822 19.000 0.075 0.000 1.274 416 A HN 0.471 nan 8.150 nan 0.000 0.410 417 F N 0.816 120.749 119.950 -0.027 0.000 2.529 417 F HA 0.661 5.188 4.527 -0.000 0.000 0.320 417 F C -0.659 175.273 175.800 0.221 0.000 1.118 417 F CA -0.563 57.393 58.000 -0.074 0.000 0.915 417 F CB 2.045 40.475 39.000 -0.950 0.000 1.161 417 F HN 0.525 nan 8.300 nan 0.000 0.445 418 F N 4.434 124.819 119.950 0.725 0.000 2.507 418 F HA 0.598 5.125 4.527 -0.000 0.000 0.325 418 F C -1.058 175.239 175.800 0.829 0.000 1.116 418 F CA -1.334 57.004 58.000 0.563 0.000 0.930 418 F CB 1.134 40.289 39.000 0.257 0.000 1.146 418 F HN 0.444 nan 8.300 nan 0.000 0.447 419 Y N 3.990 124.518 120.300 0.379 0.000 2.524 419 Y HA 0.655 5.204 4.550 -0.000 0.000 0.344 419 Y C -2.160 174.017 175.900 0.463 0.000 1.012 419 Y CA -1.703 56.644 58.100 0.410 0.000 1.068 419 Y CB 1.187 39.826 38.460 0.298 0.000 1.249 419 Y HN 0.562 nan 8.280 nan 0.000 0.468 420 Y N 4.442 125.082 120.300 0.565 0.000 2.447 420 Y HA 0.400 4.950 4.550 -0.000 0.000 0.325 420 Y C -1.725 174.460 175.900 0.474 0.000 0.976 420 Y CA -2.486 55.887 58.100 0.456 0.000 1.280 420 Y CB 0.476 39.217 38.460 0.468 0.000 1.104 420 Y HN 0.748 nan 8.280 nan 0.000 0.486 421 F N 6.599 126.668 119.950 0.198 0.000 2.471 421 F HA 0.242 4.769 4.527 -0.000 0.000 0.365 421 F C 0.614 176.286 175.800 -0.213 0.000 1.095 421 F CA 0.042 58.074 58.000 0.053 0.000 1.174 421 F CB 0.584 39.682 39.000 0.164 0.000 1.105 421 F HN 0.651 nan 8.300 nan 0.000 0.535 422 E N 3.479 123.309 120.200 -0.616 0.000 3.105 422 E HA 0.084 4.434 4.350 -0.000 0.000 0.198 422 E C -0.925 175.398 176.600 -0.462 0.000 0.976 422 E CA -0.485 55.631 56.400 -0.473 0.000 1.219 422 E CB -0.092 29.431 29.700 -0.295 0.000 1.081 422 E HN 0.620 nan 8.360 nan 0.000 0.464 423 H N 1.483 119.998 119.070 -0.925 0.000 2.476 423 H HA 0.333 4.889 4.556 -0.000 0.000 0.328 423 H C -0.820 174.302 175.328 -0.343 0.000 1.073 423 H CA -0.725 54.944 56.048 -0.631 0.000 1.229 423 H CB 1.106 30.391 29.762 -0.794 0.000 1.432 423 H HN 0.041 nan 8.280 nan 0.000 0.477 424 R N 4.510 124.536 120.500 -0.790 0.000 2.202 424 R HA 0.212 4.552 4.340 -0.000 0.000 0.334 424 R C -0.378 175.597 176.300 -0.543 0.000 1.036 424 R CA -0.380 55.443 56.100 -0.461 0.000 0.878 424 R CB 0.485 30.630 30.300 -0.257 0.000 1.067 424 R HN 0.708 nan 8.270 nan 0.000 0.457 425 S N 2.223 117.874 115.700 -0.083 0.000 2.573 425 S HA -0.088 4.382 4.470 -0.000 0.000 0.297 425 S C 1.427 176.098 174.600 0.118 0.000 1.280 425 S CA 0.362 58.722 58.200 0.268 0.000 1.061 425 S CB 0.596 64.081 63.200 0.475 0.000 0.812 425 S HN 0.792 nan 8.310 nan 0.000 0.500 426 S N 4.040 119.865 115.700 0.208 0.000 2.474 426 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 426 S C 1.026 175.629 174.600 0.004 0.000 0.997 426 S CA 0.647 58.901 58.200 0.090 0.000 0.949 426 S CB -0.228 63.048 63.200 0.128 0.000 0.766 426 S HN 0.820 nan 8.310 nan 0.000 0.517 427 K N 0.811 121.198 120.400 -0.022 0.000 2.372 427 K HA 0.334 4.654 4.320 -0.000 0.000 0.200 427 K C -0.015 176.553 176.600 -0.054 0.000 1.022 427 K CA -0.339 55.886 56.287 -0.103 0.000 1.125 427 K CB 0.147 32.486 32.500 -0.268 0.000 0.855 427 K HN 0.301 nan 8.250 nan 0.000 0.524 428 L N 3.201 124.408 121.223 -0.026 0.000 2.584 428 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 428 L C -1.623 175.199 176.870 -0.080 0.000 1.195 428 L CA -0.429 54.367 54.840 -0.074 0.000 0.920 428 L CB 0.776 42.773 42.059 -0.102 0.000 1.173 428 L HN 0.015 nan 8.230 nan 0.000 0.489 429 P HA -0.058 nan 4.420 nan 0.000 0.225 429 P C -0.450 176.802 177.300 -0.080 0.000 1.156 429 P CA 0.650 63.625 63.100 -0.208 0.000 0.787 429 P CB 0.169 31.526 31.700 -0.572 0.000 0.802 430 W N 1.855 123.145 121.300 -0.016 0.000 2.161 430 W HA 0.248 4.908 4.660 -0.000 0.000 0.344 430 W C -1.591 174.828 176.519 -0.166 0.000 1.262 430 W CA -1.979 55.337 57.345 -0.049 0.000 1.270 430 W CB -0.910 28.431 29.460 -0.198 0.000 1.126 430 W HN -0.138 nan 8.180 nan 0.000 0.598 431 P HA -0.047 nan 4.420 nan 0.000 0.272 431 P C 0.358 177.552 177.300 -0.176 0.000 1.230 431 P CA 0.240 63.284 63.100 -0.092 0.000 0.788 431 P CB 0.967 32.614 31.700 -0.087 0.000 0.949 432 E N 1.202 121.373 120.200 -0.049 0.000 2.118 432 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 432 E C 1.785 178.396 176.600 0.018 0.000 0.992 432 E CA 1.421 57.812 56.400 -0.015 0.000 0.804 432 E CB -0.291 29.436 29.700 0.046 0.000 0.741 432 E HN 0.703 nan 8.360 nan 0.000 0.458 433 W N -0.097 121.239 121.300 0.059 0.000 2.538 433 W HA -0.081 4.579 4.660 -0.000 0.000 0.254 433 W C 1.293 177.862 176.519 0.083 0.000 1.249 433 W CA 0.336 57.723 57.345 0.071 0.000 1.253 433 W CB -0.664 28.846 29.460 0.082 0.000 1.130 433 W HN -0.025 nan 8.180 nan 0.000 0.618 434 M N 1.232 120.524 119.600 -0.514 0.000 2.558 434 M HA 0.152 4.632 4.480 -0.000 0.000 0.255 434 M C 1.747 177.935 176.300 -0.187 0.000 1.113 434 M CA 1.178 56.158 55.300 -0.533 0.000 1.097 434 M CB -0.569 31.548 32.600 -0.806 0.000 1.426 434 M HN 0.119 nan 8.290 nan 0.000 0.488 435 G N 0.906 109.646 108.800 -0.100 0.000 2.594 435 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.297 435 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.297 435 G C -0.090 174.766 174.900 -0.075 0.000 1.273 435 G CA -0.161 44.910 45.100 -0.049 0.000 0.974 435 G HN 0.228 nan 8.290 nan 0.000 0.552 436 V N 2.101 121.992 119.914 -0.040 0.000 2.242 436 V HA 0.297 4.417 4.120 -0.000 0.000 0.242 436 V C 1.312 177.435 176.094 0.048 0.000 1.240 436 V CA 0.535 62.832 62.300 -0.004 0.000 1.211 436 V CB -0.340 31.468 31.823 -0.026 0.000 1.338 436 V HN 0.492 nan 8.190 nan 0.000 0.499 437 M N 2.397 122.009 119.600 0.021 0.000 2.240 437 M HA 0.162 4.642 4.480 -0.000 0.000 0.317 437 M C 0.672 177.066 176.300 0.157 0.000 1.087 437 M CA -0.127 55.193 55.300 0.033 0.000 1.176 437 M CB 0.088 32.622 32.600 -0.110 0.000 1.439 437 M HN 0.653 nan 8.290 nan 0.000 0.452 438 H N 0.344 119.373 119.070 -0.069 0.000 3.004 438 H HA 0.257 4.813 4.556 -0.000 0.000 0.316 438 H C 0.986 176.211 175.328 -0.172 0.000 1.014 438 H CA 1.569 57.501 56.048 -0.194 0.000 1.454 438 H CB 0.220 29.759 29.762 -0.372 0.000 1.472 438 H HN 0.750 nan 8.280 nan 0.000 0.571 439 G N 3.610 112.010 108.800 -0.667 0.000 2.199 439 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.254 439 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.254 439 G C 0.325 175.043 174.900 -0.303 0.000 0.982 439 G CA 0.437 45.169 45.100 -0.613 0.000 0.632 439 G HN 0.649 nan 8.290 nan 0.000 0.529 440 Y N 1.281 121.606 120.300 0.042 0.000 2.645 440 Y HA 0.331 4.881 4.550 -0.000 0.000 0.307 440 Y C 1.985 177.954 175.900 0.114 0.000 1.151 440 Y CA 0.580 58.788 58.100 0.179 0.000 1.291 440 Y CB 0.455 39.053 38.460 0.230 0.000 1.135 440 Y HN 0.474 nan 8.280 nan 0.000 0.523 441 E N -0.605 119.510 120.200 -0.143 0.000 2.447 441 E HA 0.011 4.361 4.350 -0.000 0.000 0.204 441 E C 1.514 177.988 176.600 -0.211 0.000 0.977 441 E CA 0.400 56.375 56.400 -0.709 0.000 0.950 441 E CB -0.396 28.424 29.700 -1.467 0.000 0.975 441 E HN 0.524 nan 8.360 nan 0.000 0.496 442 I N 2.954 123.506 120.570 -0.030 0.000 2.118 442 I HA -0.333 3.836 4.170 -0.000 0.000 0.241 442 I C 2.675 178.853 176.117 0.101 0.000 1.070 442 I CA 2.353 63.709 61.300 0.093 0.000 1.327 442 I CB -0.494 37.620 38.000 0.190 0.000 1.034 442 I HN 0.223 nan 8.210 nan 0.000 0.405 443 E N 0.914 121.147 120.200 0.054 0.000 2.160 443 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 443 E C 2.093 178.582 176.600 -0.186 0.000 0.991 443 E CA 1.538 57.900 56.400 -0.063 0.000 0.810 443 E CB -0.567 29.099 29.700 -0.057 0.000 0.742 443 E HN 0.433 nan 8.360 nan 0.000 0.466 444 F N 1.288 121.164 119.950 -0.123 0.000 2.206 444 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 444 F C 2.437 178.063 175.800 -0.290 0.000 1.090 444 F CA 0.726 58.612 58.000 -0.189 0.000 1.323 444 F CB -0.289 38.655 39.000 -0.094 0.000 1.028 444 F HN -0.136 nan 8.300 nan 0.000 0.492 445 V N -0.970 118.831 119.914 -0.189 0.000 2.343 445 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 445 V C 1.877 177.754 176.094 -0.361 0.000 1.051 445 V CA 1.634 63.660 62.300 -0.457 0.000 1.036 445 V CB -0.716 30.840 31.823 -0.446 0.000 0.654 445 V HN 0.204 nan 8.190 nan 0.000 0.451 446 F N 0.575 120.390 119.950 -0.225 0.000 2.811 446 F HA 0.337 4.864 4.527 -0.000 0.000 0.301 446 F C 1.858 177.596 175.800 -0.104 0.000 1.151 446 F CA 0.835 58.733 58.000 -0.172 0.000 1.412 446 F CB -0.295 38.565 39.000 -0.233 0.000 1.113 446 F HN 0.293 nan 8.300 nan 0.000 0.579 447 G N 0.083 108.829 108.800 -0.089 0.000 2.147 447 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 447 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 447 G C 0.963 175.615 174.900 -0.413 0.000 1.005 447 G CA 0.332 45.317 45.100 -0.192 0.000 0.713 447 G HN 0.304 nan 8.290 nan 0.000 0.515 448 L N 0.267 121.242 121.223 -0.413 0.000 2.083 448 L HA 0.060 4.400 4.340 -0.000 0.000 0.209 448 L C 0.330 176.797 176.870 -0.672 0.000 1.083 448 L CA 2.586 57.116 54.840 -0.516 0.000 0.752 448 L CB -0.905 40.990 42.059 -0.273 0.000 0.899 448 L HN 0.183 nan 8.230 nan 0.000 0.433 449 P HA -0.096 nan 4.420 nan 0.000 0.231 449 P C 1.720 178.710 177.300 -0.517 0.000 1.158 449 P CA 0.954 63.420 63.100 -1.056 0.000 0.763 449 P CB 0.046 30.996 31.700 -1.250 0.000 0.805 450 L N -1.019 119.930 121.223 -0.457 0.000 2.291 450 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 450 L C 1.206 177.816 176.870 -0.433 0.000 1.120 450 L CA 0.575 55.183 54.840 -0.388 0.000 0.799 450 L CB -0.619 41.278 42.059 -0.271 0.000 0.925 450 L HN -0.002 nan 8.230 nan 0.000 0.446 451 E N 0.632 120.665 120.200 -0.280 0.000 2.070 451 E HA 0.014 4.364 4.350 -0.000 0.000 0.282 451 E C 1.012 177.576 176.600 -0.061 0.000 1.104 451 E CA -0.163 56.191 56.400 -0.077 0.000 0.876 451 E CB 0.515 30.201 29.700 -0.022 0.000 1.055 451 E HN -0.060 nan 8.360 nan 0.000 0.401 452 R N 3.289 123.735 120.500 -0.090 0.000 2.237 452 R HA -0.022 4.318 4.340 -0.000 0.000 0.219 452 R C 1.286 177.588 176.300 0.003 0.000 1.080 452 R CA 0.519 56.591 56.100 -0.046 0.000 0.995 452 R CB -0.271 29.983 30.300 -0.076 0.000 0.875 452 R HN 0.448 nan 8.270 nan 0.000 0.462 453 R N 0.849 121.365 120.500 0.027 0.000 2.170 453 R HA -0.092 4.248 4.340 -0.000 0.000 0.242 453 R C 0.163 176.475 176.300 0.020 0.000 1.145 453 R CA 1.080 57.199 56.100 0.031 0.000 0.984 453 R CB -0.383 29.950 30.300 0.055 0.000 0.869 453 R HN 0.245 nan 8.270 nan 0.000 0.455 457 T N -2.029 112.644 114.554 0.198 0.000 2.766 457 T HA 0.203 4.552 4.350 -0.000 0.000 0.295 457 T C 0.984 175.727 174.700 0.072 0.000 1.024 457 T CA -0.401 61.763 62.100 0.107 0.000 1.018 457 T CB 1.267 70.199 68.868 0.107 0.000 1.002 457 T HN 0.726 nan 8.240 nan 0.000 0.532 458 K N 0.587 121.005 120.400 0.029 0.000 2.148 458 K HA 0.108 4.428 4.320 -0.000 0.000 0.204 458 K C 2.403 178.996 176.600 -0.011 0.000 1.050 458 K CA 1.356 57.641 56.287 -0.003 0.000 0.942 458 K CB -0.995 31.498 32.500 -0.012 0.000 0.724 458 K HN 0.728 nan 8.250 nan 0.000 0.446 459 A N 0.823 123.643 122.820 -0.001 0.000 1.972 459 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 459 A C 1.822 179.379 177.584 -0.045 0.000 1.169 459 A CA 1.783 53.803 52.037 -0.029 0.000 0.635 459 A CB -0.448 18.535 19.000 -0.028 0.000 0.810 459 A HN 0.491 nan 8.150 nan 0.000 0.446 460 E N -0.747 119.463 120.200 0.017 0.000 2.152 460 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 460 E C 2.007 178.610 176.600 0.006 0.000 0.983 460 E CA 0.817 57.277 56.400 0.101 0.000 0.818 460 E CB -0.087 29.785 29.700 0.287 0.000 0.758 460 E HN 0.792 nan 8.360 nan 0.000 0.467 461 E N 1.170 121.330 120.200 -0.067 0.000 2.072 461 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 461 E C 2.092 178.633 176.600 -0.099 0.000 0.985 461 E CA 0.824 57.142 56.400 -0.138 0.000 0.801 461 E CB 0.016 29.637 29.700 -0.131 0.000 0.750 461 E HN 0.233 nan 8.360 nan 0.000 0.452 462 I N 0.961 121.491 120.570 -0.065 0.000 2.179 462 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 462 I C 2.662 178.756 176.117 -0.039 0.000 1.088 462 I CA 0.588 61.856 61.300 -0.053 0.000 1.357 462 I CB -0.311 37.661 38.000 -0.047 0.000 1.051 462 I HN 0.228 nan 8.210 nan 0.000 0.409 463 L N 0.222 121.425 121.223 -0.034 0.000 2.046 463 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 463 L C 2.597 179.494 176.870 0.045 0.000 1.077 463 L CA 2.049 56.873 54.840 -0.027 0.000 0.747 463 L CB -0.749 41.244 42.059 -0.110 0.000 0.896 463 L HN 0.165 nan 8.230 nan 0.000 0.432 464 S N -0.825 114.935 115.700 0.099 0.000 2.368 464 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 464 S C 2.257 176.822 174.600 -0.058 0.000 1.029 464 S CA 1.242 59.467 58.200 0.042 0.000 0.988 464 S CB -0.373 62.730 63.200 -0.161 0.000 0.838 464 S HN 0.545 nan 8.310 nan 0.000 0.462 465 R N 1.186 121.647 120.500 -0.066 0.000 2.105 465 R HA 0.021 4.361 4.340 -0.000 0.000 0.239 465 R C 2.510 178.799 176.300 -0.017 0.000 1.135 465 R CA 2.083 58.151 56.100 -0.053 0.000 0.967 465 R CB -1.158 29.107 30.300 -0.058 0.000 0.861 465 R HN 0.404 nan 8.270 nan 0.000 0.442 466 S N -0.531 115.165 115.700 -0.006 0.000 2.355 466 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 466 S C 1.897 176.528 174.600 0.052 0.000 1.031 466 S CA 1.279 59.496 58.200 0.029 0.000 0.993 466 S CB -0.231 62.982 63.200 0.022 0.000 0.859 466 S HN 0.391 nan 8.310 nan 0.000 0.453 467 I N 1.189 121.751 120.570 -0.013 0.000 2.208 467 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 467 I C 2.267 178.326 176.117 -0.097 0.000 1.097 467 I CA 1.028 62.263 61.300 -0.110 0.000 1.363 467 I CB -0.421 37.366 38.000 -0.354 0.000 1.051 467 I HN 0.194 nan 8.210 nan 0.000 0.413 468 V N 1.035 120.880 119.914 -0.115 0.000 2.332 468 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 468 V C 2.514 178.643 176.094 0.058 0.000 1.055 468 V CA 2.048 64.305 62.300 -0.072 0.000 1.038 468 V CB -0.660 31.119 31.823 -0.073 0.000 0.651 468 V HN 0.382 nan 8.190 nan 0.000 0.450 469 K N 0.671 121.118 120.400 0.079 0.000 2.057 469 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 469 K C 2.213 178.921 176.600 0.180 0.000 1.050 469 K CA 1.513 57.867 56.287 0.112 0.000 0.935 469 K CB -0.361 32.197 32.500 0.097 0.000 0.715 469 K HN 0.340 nan 8.250 nan 0.000 0.439 470 R N -0.971 119.687 120.500 0.263 0.000 2.081 470 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 470 R C 2.393 178.911 176.300 0.365 0.000 1.131 470 R CA 1.746 58.057 56.100 0.351 0.000 0.960 470 R CB -0.471 30.154 30.300 0.543 0.000 0.856 470 R HN 0.388 nan 8.270 nan 0.000 0.436 471 W N 0.403 121.712 121.300 0.015 0.000 2.358 471 W HA -0.146 4.514 4.660 -0.000 0.000 0.303 471 W C 2.358 178.849 176.519 -0.047 0.000 1.208 471 W CA 0.745 58.070 57.345 -0.034 0.000 1.274 471 W CB -0.103 29.292 29.460 -0.108 0.000 1.138 471 W HN 0.246 nan 8.180 nan 0.000 0.515 472 A N 0.561 123.480 122.820 0.165 0.000 1.898 472 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 472 A C 1.706 179.253 177.584 -0.062 0.000 1.181 472 A CA 1.729 53.774 52.037 0.013 0.000 0.620 472 A CB -1.012 17.996 19.000 0.013 0.000 0.819 472 A HN 0.208 nan 8.150 nan 0.000 0.442 473 N N -1.075 117.641 118.700 0.026 0.000 2.244 473 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 473 N C 1.339 176.809 175.510 -0.066 0.000 1.016 473 N CA 1.267 54.329 53.050 0.021 0.000 0.866 473 N CB -0.540 38.064 38.487 0.195 0.000 0.980 473 N HN 0.551 nan 8.380 nan 0.000 0.430 474 F N 1.535 121.372 119.950 -0.190 0.000 2.146 474 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 474 F C 2.133 177.790 175.800 -0.239 0.000 1.096 474 F CA 1.200 59.034 58.000 -0.276 0.000 1.275 474 F CB -0.390 38.361 39.000 -0.415 0.000 1.008 474 F HN 0.015 nan 8.300 nan 0.000 0.480 475 A N 0.485 123.158 122.820 -0.245 0.000 1.877 475 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 475 A C 2.250 179.598 177.584 -0.392 0.000 1.186 475 A CA 1.954 53.806 52.037 -0.308 0.000 0.620 475 A CB -0.662 18.228 19.000 -0.183 0.000 0.822 475 A HN 0.458 nan 8.150 nan 0.000 0.443 476 K N -1.715 118.386 120.400 -0.498 0.000 2.031 476 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 476 K C 1.021 177.190 176.600 -0.719 0.000 1.049 476 K CA 1.722 57.572 56.287 -0.730 0.000 0.939 476 K CB -0.216 31.552 32.500 -1.221 0.000 0.717 476 K HN 0.728 nan 8.250 nan 0.000 0.438 477 Y N -1.009 119.201 120.300 -0.150 0.000 2.557 477 Y HA 0.295 4.845 4.550 -0.000 0.000 0.247 477 Y C 1.011 176.791 175.900 -0.200 0.000 1.164 477 Y CA -0.277 57.741 58.100 -0.136 0.000 1.218 477 Y CB 1.097 39.512 38.460 -0.075 0.000 1.210 477 Y HN 0.155 nan 8.280 nan 0.000 0.529 478 G N 1.610 110.207 108.800 -0.338 0.000 2.203 478 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 478 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 478 G C -0.309 174.478 174.900 -0.188 0.000 1.012 478 G CA 0.448 45.254 45.100 -0.490 0.000 0.749 478 G HN 0.381 nan 8.290 nan 0.000 0.512 479 N N -0.312 118.310 118.700 -0.130 0.000 2.558 479 N HA 0.383 5.122 4.740 -0.000 0.000 0.285 479 N C -2.538 172.851 175.510 -0.202 0.000 1.112 479 N CA -1.692 51.246 53.050 -0.185 0.000 0.857 479 N CB 2.309 40.797 38.487 0.001 0.000 1.376 479 N HN -0.027 nan 8.380 nan 0.000 0.526 480 P HA 0.048 nan 4.420 nan 0.000 0.249 480 P C -0.554 176.766 177.300 0.032 0.000 1.686 480 P CA 0.014 62.934 63.100 -0.300 0.000 0.873 480 P CB 0.095 31.267 31.700 -0.880 0.000 1.828 481 Q N 0.607 120.450 119.800 0.070 0.000 2.221 481 Q HA 0.290 4.630 4.340 -0.000 0.000 0.242 481 Q C 0.227 176.328 176.000 0.169 0.000 0.940 481 Q CA -0.171 55.730 55.803 0.163 0.000 0.896 481 Q CB 1.372 30.186 28.738 0.127 0.000 1.226 481 Q HN 0.146 nan 8.270 nan 0.000 0.463 482 E N 1.615 121.914 120.200 0.165 0.000 2.183 482 E HA 0.128 4.478 4.350 -0.000 0.000 0.250 482 E C 0.027 176.689 176.600 0.103 0.000 0.901 482 E CA -0.221 56.258 56.400 0.131 0.000 0.741 482 E CB 0.649 30.424 29.700 0.125 0.000 1.182 482 E HN 0.694 nan 8.360 nan 0.000 0.425 483 T N 0.755 115.362 114.554 0.088 0.000 3.088 483 T HA 0.015 4.365 4.350 -0.000 0.000 0.259 483 T C 1.123 175.853 174.700 0.051 0.000 1.122 483 T CA 0.616 62.756 62.100 0.066 0.000 1.095 483 T CB 0.210 69.108 68.868 0.050 0.000 0.930 483 T HN 0.328 nan 8.240 nan 0.000 0.508 484 Q N 0.755 120.585 119.800 0.050 0.000 2.349 484 Q HA 0.218 4.558 4.340 -0.000 0.000 0.209 484 Q C 0.529 176.549 176.000 0.033 0.000 0.920 484 Q CA 0.355 56.180 55.803 0.038 0.000 0.901 484 Q CB 0.169 28.928 28.738 0.035 0.000 1.021 484 Q HN 0.377 nan 8.270 nan 0.000 0.519 485 N N 1.349 120.071 118.700 0.036 0.000 2.558 485 N HA 0.095 4.835 4.740 -0.000 0.000 0.281 485 N C -0.630 174.897 175.510 0.029 0.000 1.219 485 N CA 0.514 53.581 53.050 0.028 0.000 0.942 485 N CB 0.285 38.786 38.487 0.023 0.000 1.241 485 N HN 0.241 nan 8.380 nan 0.000 0.511 486 Q N -1.163 118.656 119.800 0.033 0.000 2.437 486 Q HA -0.224 4.116 4.340 -0.000 0.000 0.354 486 Q C -0.168 175.854 176.000 0.037 0.000 1.402 486 Q CA 1.047 56.870 55.803 0.033 0.000 1.020 486 Q CB -2.869 25.884 28.738 0.025 0.000 1.220 486 Q HN 0.399 nan 8.270 nan 0.000 0.368 487 S N 0.619 116.349 115.700 0.049 0.000 2.608 487 S HA 0.684 5.154 4.470 -0.000 0.000 0.291 487 S C 0.592 175.232 174.600 0.067 0.000 1.146 487 S CA -0.087 58.145 58.200 0.054 0.000 1.043 487 S CB 1.731 64.973 63.200 0.069 0.000 1.037 487 S HN 0.774 nan 8.310 nan 0.000 0.520 488 T N 2.596 117.185 114.554 0.057 0.000 2.908 488 T HA 0.047 4.397 4.350 -0.000 0.000 0.301 488 T C 0.511 175.280 174.700 0.115 0.000 1.019 488 T CA 0.309 62.448 62.100 0.064 0.000 1.152 488 T CB 0.370 69.257 68.868 0.032 0.000 0.966 488 T HN 0.511 nan 8.240 nan 0.000 0.540 489 S N 2.535 118.317 115.700 0.137 0.000 2.565 489 S HA 0.200 4.670 4.470 -0.000 0.000 0.276 489 S C -0.566 174.218 174.600 0.307 0.000 1.326 489 S CA -0.771 57.553 58.200 0.207 0.000 1.045 489 S CB 0.169 63.476 63.200 0.178 0.000 0.918 489 S HN 0.653 nan 8.310 nan 0.000 0.505 490 W N 7.844 129.253 121.300 0.181 0.000 2.357 490 W HA 0.394 5.054 4.660 -0.000 0.000 0.317 490 W C -2.516 174.225 176.519 0.369 0.000 1.101 490 W CA -2.946 54.559 57.345 0.265 0.000 1.380 490 W CB 0.450 30.061 29.460 0.253 0.000 1.266 490 W HN 0.510 nan 8.180 nan 0.000 0.419 491 P HA 0.072 nan 4.420 nan 0.000 0.274 491 P C -0.361 177.205 177.300 0.443 0.000 1.231 491 P CA -0.106 63.275 63.100 0.468 0.000 0.790 491 P CB 1.827 33.706 31.700 0.299 0.000 0.951 492 V N 2.969 122.971 119.914 0.147 0.000 2.843 492 V HA -0.002 4.118 4.120 -0.000 0.000 0.305 492 V C 0.549 176.666 176.094 0.038 0.000 1.065 492 V CA 0.149 62.327 62.300 -0.203 0.000 1.116 492 V CB -0.355 31.348 31.823 -0.201 0.000 0.968 492 V HN 0.454 nan 8.190 nan 0.000 0.487 493 F N 5.385 125.271 119.950 -0.106 0.000 2.411 493 F HA 0.528 5.055 4.527 -0.000 0.000 0.355 493 F C 0.212 176.020 175.800 0.012 0.000 1.117 493 F CA -0.384 57.647 58.000 0.051 0.000 1.139 493 F CB 0.442 39.530 39.000 0.147 0.000 1.120 493 F HN 0.396 nan 8.300 nan 0.000 0.493 494 K N 3.511 123.766 120.400 -0.241 0.000 2.385 494 K HA 0.329 4.649 4.320 -0.000 0.000 0.248 494 K C 0.811 177.257 176.600 -0.256 0.000 0.955 494 K CA -0.840 55.380 56.287 -0.113 0.000 0.816 494 K CB 2.006 34.455 32.500 -0.086 0.000 1.250 494 K HN 0.539 nan 8.250 nan 0.000 0.434 495 S N 0.347 116.017 115.700 -0.050 0.000 2.387 495 S HA -0.166 4.303 4.470 -0.000 0.000 0.230 495 S C 1.432 175.974 174.600 -0.096 0.000 1.035 495 S CA 1.920 60.103 58.200 -0.029 0.000 1.014 495 S CB -0.118 63.093 63.200 0.019 0.000 0.836 495 S HN 0.656 nan 8.310 nan 0.000 0.466 496 T N 1.837 116.328 114.554 -0.105 0.000 2.684 496 T HA -0.008 4.342 4.350 -0.000 0.000 0.253 496 T C 1.757 176.382 174.700 -0.125 0.000 1.057 496 T CA 0.998 63.044 62.100 -0.090 0.000 1.162 496 T CB -0.346 68.483 68.868 -0.066 0.000 0.868 496 T HN 0.445 nan 8.240 nan 0.000 0.409 497 E N 1.026 121.137 120.200 -0.149 0.000 2.152 497 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 497 E C 0.220 176.678 176.600 -0.236 0.000 0.983 497 E CA 0.221 56.532 56.400 -0.147 0.000 0.818 497 E CB -0.098 29.539 29.700 -0.105 0.000 0.758 497 E HN 0.453 nan 8.360 nan 0.000 0.467 498 Q N 0.664 120.170 119.800 -0.491 0.000 2.452 498 Q HA -0.203 4.137 4.340 -0.000 0.000 0.318 498 Q C -0.957 174.813 176.000 -0.383 0.000 1.386 498 Q CA 0.455 55.709 55.803 -0.916 0.000 0.872 498 Q CB -1.382 27.037 28.738 -0.532 0.000 1.151 498 Q HN 0.212 nan 8.270 nan 0.000 0.417 499 K N 0.929 121.204 120.400 -0.207 0.000 2.237 499 K HA 0.458 4.778 4.320 -0.000 0.000 0.270 499 K C -0.183 176.670 176.600 0.421 0.000 1.015 499 K CA -0.104 56.234 56.287 0.084 0.000 0.949 499 K CB 0.520 33.064 32.500 0.072 0.000 0.976 499 K HN 0.270 nan 8.250 nan 0.000 0.472 500 Y N -1.004 119.471 120.300 0.291 0.000 2.597 500 Y HA 0.579 5.128 4.550 -0.000 0.000 0.340 500 Y C -1.662 174.390 175.900 0.254 0.000 1.097 500 Y CA -1.664 56.710 58.100 0.457 0.000 1.037 500 Y CB 0.769 39.540 38.460 0.518 0.000 1.305 500 Y HN 0.324 nan 8.280 nan 0.000 0.463 501 L N 2.948 124.311 121.223 0.232 0.000 2.307 501 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 501 L C -0.101 176.824 176.870 0.091 0.000 1.023 501 L CA -0.205 54.542 54.840 -0.154 0.000 0.810 501 L CB 1.701 43.234 42.059 -0.877 0.000 1.231 501 L HN 0.948 nan 8.230 nan 0.000 0.423 502 T N 3.378 117.972 114.554 0.067 0.000 2.845 502 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 502 T C -0.220 174.502 174.700 0.037 0.000 0.980 502 T CA -0.641 61.575 62.100 0.194 0.000 1.071 502 T CB 0.589 69.575 68.868 0.197 0.000 0.941 502 T HN 0.496 nan 8.240 nan 0.000 0.487 503 L N 4.088 125.332 121.223 0.035 0.000 2.313 503 L HA 0.645 4.985 4.340 -0.000 0.000 0.283 503 L C -0.082 176.641 176.870 -0.244 0.000 1.013 503 L CA -0.756 54.035 54.840 -0.081 0.000 0.816 503 L CB 1.079 43.145 42.059 0.011 0.000 1.236 503 L HN 1.036 nan 8.230 nan 0.000 0.419 504 N N -0.982 117.583 118.700 -0.224 0.000 3.261 504 N HA 0.204 4.944 4.740 -0.000 0.000 0.248 504 N C 0.208 175.582 175.510 -0.226 0.000 1.498 504 N CA -0.231 52.662 53.050 -0.263 0.000 0.884 504 N CB 0.867 39.258 38.487 -0.159 0.000 1.428 504 N HN 0.329 nan 8.380 nan 0.000 0.517 505 T N -3.047 111.367 114.554 -0.234 0.000 2.937 505 T HA 0.094 4.444 4.350 -0.000 0.000 0.260 505 T C 0.865 175.510 174.700 -0.092 0.000 1.051 505 T CA 1.066 63.050 62.100 -0.194 0.000 1.141 505 T CB -0.483 68.252 68.868 -0.222 0.000 0.879 505 T HN 0.539 nan 8.240 nan 0.000 0.459 506 E N 2.130 122.295 120.200 -0.058 0.000 1.969 506 E HA -0.007 4.343 4.350 -0.000 0.000 0.204 506 E C 0.646 177.227 176.600 -0.031 0.000 0.982 506 E CA 1.308 57.689 56.400 -0.030 0.000 0.871 506 E CB -0.089 29.603 29.700 -0.014 0.000 0.815 506 E HN 0.647 nan 8.360 nan 0.000 0.527 507 S N 0.093 115.777 115.700 -0.027 0.000 2.619 507 S HA 0.258 4.728 4.470 -0.000 0.000 0.280 507 S C -0.452 174.133 174.600 -0.026 0.000 1.150 507 S CA -0.935 57.251 58.200 -0.023 0.000 0.978 507 S CB 1.719 64.912 63.200 -0.011 0.000 1.041 507 S HN 0.249 nan 8.310 nan 0.000 0.485 508 T N 2.411 116.947 114.554 -0.031 0.000 2.794 508 T HA 0.534 4.884 4.350 -0.000 0.000 0.296 508 T C -0.111 174.569 174.700 -0.033 0.000 0.949 508 T CA -0.487 61.591 62.100 -0.038 0.000 1.101 508 T CB -0.004 68.835 68.868 -0.047 0.000 0.905 508 T HN 0.784 nan 8.240 nan 0.000 0.516 509 R N 3.093 123.569 120.500 -0.039 0.000 2.892 509 R HA 0.604 4.944 4.340 -0.000 0.000 0.265 509 R C -0.633 175.607 176.300 -0.101 0.000 1.025 509 R CA -1.226 54.843 56.100 -0.053 0.000 0.982 509 R CB 1.368 31.643 30.300 -0.041 0.000 1.185 509 R HN 0.499 nan 8.270 nan 0.000 0.484 510 I N 2.805 123.313 120.570 -0.103 0.000 2.330 510 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 510 I C -0.043 175.937 176.117 -0.228 0.000 1.001 510 I CA -0.301 60.913 61.300 -0.142 0.000 1.193 510 I CB 1.070 39.042 38.000 -0.047 0.000 1.345 510 I HN 0.477 nan 8.210 nan 0.000 0.461 511 M N 4.935 124.237 119.600 -0.497 0.000 2.821 511 M HA 0.569 5.049 4.480 -0.000 0.000 0.304 511 M C 0.152 176.167 176.300 -0.475 0.000 1.233 511 M CA -0.587 54.380 55.300 -0.554 0.000 0.851 511 M CB 2.151 34.262 32.600 -0.815 0.000 1.723 511 M HN 0.592 nan 8.290 nan 0.000 0.493 512 T N -2.365 112.120 114.554 -0.115 0.000 2.903 512 T HA 0.548 4.898 4.350 -0.000 0.000 0.299 512 T C -0.671 174.175 174.700 0.244 0.000 1.093 512 T CA -0.989 61.169 62.100 0.097 0.000 1.002 512 T CB 1.722 70.594 68.868 0.006 0.000 1.127 512 T HN 0.638 nan 8.240 nan 0.000 0.488 513 K N 0.755 121.264 120.400 0.181 0.000 3.689 513 K HA -0.172 4.147 4.320 -0.000 0.000 0.276 513 K C -0.210 176.420 176.600 0.051 0.000 0.932 513 K CA -0.179 56.157 56.287 0.082 0.000 0.758 513 K CB -1.481 31.042 32.500 0.038 0.000 1.500 513 K HN 0.603 nan 8.250 nan 0.000 0.448 514 L N 1.879 123.045 121.223 -0.096 0.000 2.559 514 L HA -0.029 4.311 4.340 -0.000 0.000 0.274 514 L C 0.728 177.501 176.870 -0.161 0.000 1.205 514 L CA 0.708 55.354 54.840 -0.324 0.000 0.907 514 L CB 0.146 41.664 42.059 -0.902 0.000 1.153 514 L HN 0.415 nan 8.230 nan 0.000 0.490 515 R N 2.931 123.383 120.500 -0.080 0.000 3.416 515 R HA -0.278 4.062 4.340 -0.000 0.000 0.263 515 R C 1.195 177.532 176.300 0.062 0.000 1.053 515 R CA 0.758 56.874 56.100 0.027 0.000 0.705 515 R CB -2.468 27.877 30.300 0.076 0.000 1.124 515 R HN 0.904 nan 8.270 nan 0.000 0.444 516 A N 0.812 123.657 122.820 0.042 0.000 1.859 516 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 516 A C 2.129 179.765 177.584 0.087 0.000 1.198 516 A CA 1.824 53.895 52.037 0.056 0.000 0.629 516 A CB -0.296 18.729 19.000 0.042 0.000 0.830 516 A HN 0.584 nan 8.150 nan 0.000 0.446 517 Q N -1.345 118.506 119.800 0.084 0.000 2.124 517 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 517 Q C 2.361 178.481 176.000 0.200 0.000 0.977 517 Q CA 1.773 57.646 55.803 0.118 0.000 0.850 517 Q CB -0.159 28.617 28.738 0.064 0.000 0.901 517 Q HN 0.779 nan 8.270 nan 0.000 0.429 518 Q N -0.496 119.438 119.800 0.224 0.000 2.079 518 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 518 Q C 2.091 178.311 176.000 0.368 0.000 0.974 518 Q CA 1.427 57.441 55.803 0.352 0.000 0.840 518 Q CB -0.297 28.682 28.738 0.402 0.000 0.898 518 Q HN 0.349 nan 8.270 nan 0.000 0.430 519 c N 0.086 118.869 118.600 0.305 0.000 2.446 519 c HA 0.026 4.596 4.570 -0.000 0.000 0.279 519 c C 2.354 176.570 174.090 0.210 0.000 1.366 519 c CA 0.130 56.642 56.329 0.304 0.000 1.763 519 c CB -0.658 41.973 42.510 0.201 0.000 1.929 519 c HN 0.454 nan 8.230 nan 0.000 0.509 520 R N -0.065 120.524 120.500 0.148 0.000 2.120 520 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 520 R C 2.020 178.368 176.300 0.080 0.000 1.123 520 R CA 1.524 57.691 56.100 0.111 0.000 0.975 520 R CB -0.467 29.896 30.300 0.104 0.000 0.866 520 R HN 0.602 nan 8.270 nan 0.000 0.446 521 F N -0.141 119.695 119.950 -0.190 0.000 2.084 521 F HA -0.182 4.345 4.527 -0.000 0.000 0.296 521 F C 1.557 177.168 175.800 -0.315 0.000 1.111 521 F CA 1.379 59.096 58.000 -0.470 0.000 1.224 521 F CB -0.402 37.837 39.000 -1.268 0.000 0.991 521 F HN -0.034 nan 8.300 nan 0.000 0.471 522 W N 0.142 121.372 121.300 -0.117 0.000 2.436 522 W HA -0.077 4.583 4.660 -0.000 0.000 0.284 522 W C 2.440 178.974 176.519 0.025 0.000 1.225 522 W CA 1.387 58.682 57.345 -0.084 0.000 1.271 522 W CB -0.709 28.837 29.460 0.143 0.000 1.114 522 W HN -0.122 nan 8.180 nan 0.000 0.559 523 T N -1.381 113.322 114.554 0.247 0.000 2.976 523 T HA -0.048 4.302 4.350 -0.000 0.000 0.257 523 T C 1.741 176.519 174.700 0.130 0.000 1.051 523 T CA 1.480 63.689 62.100 0.181 0.000 1.141 523 T CB -0.152 68.806 68.868 0.150 0.000 0.881 523 T HN -0.056 nan 8.240 nan 0.000 0.461 524 S N 0.354 116.115 115.700 0.102 0.000 2.444 524 S HA 0.302 4.772 4.470 -0.000 0.000 0.223 524 S C 1.473 176.141 174.600 0.113 0.000 1.054 524 S CA -0.151 58.105 58.200 0.092 0.000 0.947 524 S CB -0.265 62.986 63.200 0.084 0.000 0.850 524 S HN 0.513 nan 8.310 nan 0.000 0.527 525 F N 1.236 121.109 119.950 -0.128 0.000 2.049 525 F HA -0.032 4.495 4.527 -0.000 0.000 0.288 525 F C 2.090 177.772 175.800 -0.197 0.000 1.141 525 F CA 0.921 58.815 58.000 -0.176 0.000 1.165 525 F CB -0.361 38.489 39.000 -0.250 0.000 1.012 525 F HN 0.171 nan 8.300 nan 0.000 0.475 526 F N 2.230 122.080 119.950 -0.166 0.000 2.135 526 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 526 F C -1.137 174.708 175.800 0.075 0.000 1.074 526 F CA 1.855 59.710 58.000 -0.241 0.000 1.262 526 F CB -1.871 36.796 39.000 -0.554 0.000 1.013 526 F HN -0.026 nan 8.300 nan 0.000 0.489 527 P HA -0.157 nan 4.420 nan 0.000 0.226 527 P C 0.880 178.168 177.300 -0.019 0.000 1.146 527 P CA 1.666 64.806 63.100 0.067 0.000 0.773 527 P CB -0.082 31.691 31.700 0.121 0.000 0.772 528 K N -0.820 119.573 120.400 -0.012 0.000 2.242 528 K HA 0.043 4.363 4.320 -0.000 0.000 0.200 528 K C 1.148 177.717 176.600 -0.052 0.000 1.050 528 K CA 0.247 56.514 56.287 -0.033 0.000 0.981 528 K CB -0.427 32.043 32.500 -0.051 0.000 0.795 528 K HN 0.078 nan 8.250 nan 0.000 0.477 529 V N 0.000 119.874 119.914 -0.067 0.000 2.409 529 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 529 V CA 0.000 62.274 62.300 -0.043 0.000 1.235 529 V CB 0.000 31.757 31.823 -0.111 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556