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 2y4f_1_B DATA FIRST_RESID 5 DATA SEQUENCE SAPGTLSPDA RNEKQPFYGE HQAGILTPQQ AAMMLVAFDV LASDKADLER DATA SEQUENCE LFRLLTQRFA FLTQGGAAPE TPNPRLPPLD SGILGGYIAP DNLTITLSVG DATA SEQUENCE HSLFDERFGL APQMPKKLQK MTRFPNDSLD AALCHGDVLL QICANTQDTV DATA SEQUENCE IHALRDIIKH TPDLLSVRWK REGFISDHAA RSKGKETPIN LLGFKDGTAN DATA SEQUENCE PDSQNDKLMQ KVVWVTADQQ EPAWTIGGSY QAVRLIQFRV EFWDRTPLKE DATA SEQUENCE QQTIFGRDKQ TGAPLGMQHE HDVPDYASDP EGKVIALDSH IRLANPRTAE DATA SEQUENCE SESSLMLRRG YSYSLGVTNS GQLDMGLLFV CYQHDLEKGF LTVQKRLNGE DATA SEQUENCE ALEEYVKPIG GGYFFALPGV KDANDYFGSA LLRV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.593 174.600 -0.012 0.000 1.055 5 S CA 0.000 58.218 58.200 0.030 0.000 1.107 5 S CB 0.000 63.211 63.200 0.018 0.000 0.593 6 A N 2.955 125.756 122.820 -0.031 0.000 2.425 6 A HA 0.552 4.902 4.320 0.050 0.000 0.249 6 A C -1.715 175.853 177.584 -0.026 0.000 1.084 6 A CA -0.831 51.188 52.037 -0.030 0.000 0.781 6 A CB -0.006 18.971 19.000 -0.037 0.000 1.019 6 A HN 0.295 nan 8.150 nan 0.000 0.490 7 P HA 0.209 nan 4.420 nan 0.000 0.249 7 P C 0.706 178.001 177.300 -0.008 0.000 1.229 7 P CA 1.169 64.259 63.100 -0.018 0.000 0.788 7 P CB -0.096 31.596 31.700 -0.015 0.000 1.072 8 G N 0.021 108.815 108.800 -0.009 0.000 2.610 8 G HA2 0.035 4.024 3.960 0.050 0.000 0.304 8 G HA3 0.035 4.024 3.960 0.050 0.000 0.304 8 G C -0.703 174.198 174.900 0.001 0.000 1.309 8 G CA -0.310 44.790 45.100 0.001 0.000 0.906 8 G HN 0.490 nan 8.290 nan 0.000 0.521 9 T N -2.293 112.269 114.554 0.013 0.000 2.883 9 T HA 0.785 5.165 4.350 0.050 0.000 0.296 9 T C -0.487 174.233 174.700 0.034 0.000 1.117 9 T CA -0.734 61.379 62.100 0.020 0.000 1.006 9 T CB 2.011 70.891 68.868 0.020 0.000 1.191 9 T HN 1.154 nan 8.240 nan 0.000 0.508 10 L N 1.145 122.395 121.223 0.045 0.000 2.354 10 L HA 0.620 4.990 4.340 0.050 0.000 0.269 10 L C 0.469 177.368 176.870 0.048 0.000 1.005 10 L CA -1.178 53.690 54.840 0.045 0.000 0.819 10 L CB 2.294 44.382 42.059 0.048 0.000 1.311 10 L HN 0.721 nan 8.230 nan 0.000 0.423 11 S N 2.277 118.001 115.700 0.039 0.000 2.549 11 S HA 0.148 4.647 4.470 0.050 0.000 0.279 11 S C -1.468 173.154 174.600 0.037 0.000 1.321 11 S CA -0.977 57.244 58.200 0.035 0.000 1.054 11 S CB 0.993 64.207 63.200 0.024 0.000 0.899 11 S HN 0.444 nan 8.310 nan 0.000 0.497 12 P HA -0.066 nan 4.420 nan 0.000 0.226 12 P C 0.444 177.758 177.300 0.022 0.000 1.153 12 P CA 0.785 63.907 63.100 0.037 0.000 0.777 12 P CB -0.017 31.706 31.700 0.038 0.000 0.794 13 D N -0.471 119.938 120.400 0.016 0.000 2.339 13 D HA 0.059 4.729 4.640 0.050 0.000 0.217 13 D C 0.898 177.203 176.300 0.009 0.000 1.050 13 D CA -0.166 53.839 54.000 0.008 0.000 0.856 13 D CB -0.756 40.045 40.800 0.002 0.000 0.922 13 D HN -0.016 nan 8.370 nan 0.000 0.518 14 A N 1.044 123.873 122.820 0.014 0.000 3.074 14 A HA 0.140 4.490 4.320 0.050 0.000 0.251 14 A C 1.658 179.251 177.584 0.014 0.000 1.695 14 A CA -0.444 51.601 52.037 0.014 0.000 1.343 14 A CB -0.883 18.128 19.000 0.019 0.000 1.078 14 A HN 0.092 nan 8.150 nan 0.000 0.644 15 R N 0.277 120.784 120.500 0.011 0.000 2.204 15 R HA -0.189 4.181 4.340 0.050 0.000 0.253 15 R C 0.683 176.997 176.300 0.024 0.000 1.172 15 R CA 1.831 57.940 56.100 0.014 0.000 0.994 15 R CB 0.075 30.382 30.300 0.012 0.000 0.874 15 R HN 0.666 nan 8.270 nan 0.000 0.462 16 N N -0.095 118.618 118.700 0.022 0.000 2.250 16 N HA -0.021 4.749 4.740 0.050 0.000 0.190 16 N C -0.246 175.280 175.510 0.027 0.000 1.116 16 N CA 0.066 53.135 53.050 0.031 0.000 0.881 16 N CB 0.484 38.982 38.487 0.019 0.000 1.006 16 N HN 0.259 nan 8.380 nan 0.000 0.491 17 E N 1.590 121.803 120.200 0.021 0.000 2.384 17 E HA 0.053 4.433 4.350 0.050 0.000 0.266 17 E C -0.499 176.114 176.600 0.021 0.000 1.012 17 E CA 0.302 56.715 56.400 0.022 0.000 0.901 17 E CB 0.538 30.251 29.700 0.023 0.000 0.967 17 E HN 0.049 nan 8.360 nan 0.000 0.435 18 K N 3.604 124.019 120.400 0.026 0.000 2.270 18 K HA 0.317 4.667 4.320 0.050 0.000 0.255 18 K C -0.741 175.882 176.600 0.038 0.000 0.936 18 K CA -1.042 55.261 56.287 0.026 0.000 0.809 18 K CB 1.684 34.203 32.500 0.031 0.000 1.131 18 K HN 0.310 nan 8.250 nan 0.000 0.427 19 Q N 2.005 121.829 119.800 0.041 0.000 2.271 19 Q HA 0.325 4.695 4.340 0.050 0.000 0.258 19 Q C -2.484 173.564 176.000 0.080 0.000 0.936 19 Q CA -2.462 53.375 55.803 0.057 0.000 0.909 19 Q CB 1.173 29.944 28.738 0.056 0.000 1.253 19 Q HN 0.338 nan 8.270 nan 0.000 0.440 20 P HA -0.023 nan 4.420 nan 0.000 0.266 20 P C 0.117 177.484 177.300 0.113 0.000 1.215 20 P CA 0.078 63.239 63.100 0.102 0.000 0.763 20 P CB 0.127 31.874 31.700 0.079 0.000 0.806 21 F N 4.388 124.313 119.950 -0.042 0.000 2.163 21 F HA 0.003 4.558 4.527 0.047 0.000 0.297 21 F C 0.389 176.091 175.800 -0.164 0.000 1.094 21 F CA 0.787 58.708 58.000 -0.132 0.000 1.290 21 F CB -0.526 38.316 39.000 -0.264 0.000 1.017 21 F HN 0.160 nan 8.300 nan 0.000 0.483 22 Y N 0.788 120.942 120.300 -0.242 0.000 2.359 22 Y HA 0.501 5.082 4.550 0.051 0.000 0.330 22 Y C 0.845 176.609 175.900 -0.227 0.000 1.143 22 Y CA 0.107 57.992 58.100 -0.359 0.000 1.318 22 Y CB 0.557 38.917 38.460 -0.166 0.000 1.234 22 Y HN 0.208 nan 8.280 nan 0.000 0.522 23 G N 1.510 110.253 108.800 -0.096 0.000 2.441 23 G HA2 0.106 4.096 3.960 0.050 0.000 0.294 23 G HA3 0.106 4.096 3.960 0.050 0.000 0.294 23 G C -0.102 174.680 174.900 -0.198 0.000 1.393 23 G CA -0.695 44.337 45.100 -0.114 0.000 0.796 23 G HN 0.482 nan 8.290 nan 0.000 0.494 24 E N -1.015 119.010 120.200 -0.291 0.000 2.110 24 E HA -0.094 4.286 4.350 0.050 0.000 0.193 24 E C 0.191 176.403 176.600 -0.647 0.000 0.988 24 E CA 0.879 56.984 56.400 -0.493 0.000 0.804 24 E CB 0.005 29.305 29.700 -0.667 0.000 0.745 24 E HN 0.461 nan 8.360 nan 0.000 0.458 25 H N -0.613 118.246 119.070 -0.351 0.000 2.754 25 H HA 0.331 4.917 4.556 0.050 0.000 0.352 25 H C -0.302 174.928 175.328 -0.163 0.000 1.213 25 H CA -0.626 55.171 56.048 -0.419 0.000 1.244 25 H CB 0.909 30.162 29.762 -0.849 0.000 1.843 25 H HN 0.039 nan 8.280 nan 0.000 0.587 26 Q N 0.164 120.037 119.800 0.123 0.000 2.259 26 Q HA 0.504 4.874 4.340 0.050 0.000 0.246 26 Q C -0.221 175.859 176.000 0.134 0.000 0.920 26 Q CA -0.771 55.106 55.803 0.123 0.000 0.895 26 Q CB 1.727 30.573 28.738 0.181 0.000 1.220 26 Q HN 0.656 nan 8.270 nan 0.000 0.439 27 A N 0.773 123.657 122.820 0.106 0.000 2.346 27 A HA 0.517 4.867 4.320 0.050 0.000 0.252 27 A C 0.840 178.465 177.584 0.069 0.000 1.089 27 A CA 0.528 52.623 52.037 0.097 0.000 0.797 27 A CB -0.185 18.878 19.000 0.105 0.000 1.047 27 A HN 0.990 nan 8.150 nan 0.000 0.494 28 G N -0.713 108.112 108.800 0.041 0.000 2.212 28 G HA2 -0.187 3.802 3.960 0.050 0.000 0.255 28 G HA3 -0.187 3.802 3.960 0.050 0.000 0.255 28 G C 0.214 175.061 174.900 -0.087 0.000 1.062 28 G CA 0.682 45.794 45.100 0.020 0.000 0.815 28 G HN 0.756 nan 8.290 nan 0.000 0.497 29 I N -2.157 118.308 120.570 -0.175 0.000 3.626 29 I HA 0.219 4.419 4.170 0.050 0.000 0.256 29 I C 2.005 177.977 176.117 -0.241 0.000 1.105 29 I CA -0.258 60.752 61.300 -0.485 0.000 1.656 29 I CB -0.421 37.161 38.000 -0.696 0.000 1.672 29 I HN 0.051 nan 8.210 nan 0.000 0.421 30 L N 1.110 122.256 121.223 -0.129 0.000 2.313 30 L HA 0.085 4.455 4.340 0.050 0.000 0.214 30 L C 0.793 177.664 176.870 0.001 0.000 1.119 30 L CA 1.260 56.072 54.840 -0.046 0.000 0.809 30 L CB -1.142 40.946 42.059 0.049 0.000 0.933 30 L HN 0.169 nan 8.230 nan 0.000 0.449 31 T N 2.093 116.658 114.554 0.018 0.000 2.849 31 T HA 0.019 4.399 4.350 0.050 0.000 0.289 31 T C -2.245 172.477 174.700 0.035 0.000 1.010 31 T CA -0.718 61.404 62.100 0.037 0.000 1.161 31 T CB -0.005 68.892 68.868 0.048 0.000 0.989 31 T HN -0.022 nan 8.240 nan 0.000 0.523 32 P HA 0.040 nan 4.420 nan 0.000 0.264 32 P C 0.023 177.353 177.300 0.050 0.000 1.193 32 P CA -0.043 63.075 63.100 0.030 0.000 0.763 32 P CB 0.293 32.011 31.700 0.029 0.000 0.810 33 Q N 2.273 122.094 119.800 0.036 0.000 2.262 33 Q HA -0.061 4.309 4.340 0.050 0.000 0.298 33 Q C 0.165 176.234 176.000 0.115 0.000 1.083 33 Q CA 0.454 56.297 55.803 0.067 0.000 0.962 33 Q CB 0.129 28.808 28.738 -0.100 0.000 1.104 33 Q HN 0.427 nan 8.270 nan 0.000 0.376 34 Q N 0.621 120.546 119.800 0.208 0.000 2.396 34 Q HA 0.208 4.578 4.340 0.050 0.000 0.221 34 Q C 0.817 176.986 176.000 0.282 0.000 1.025 34 Q CA 0.304 56.219 55.803 0.187 0.000 0.946 34 Q CB 0.503 29.325 28.738 0.141 0.000 1.224 34 Q HN 0.784 nan 8.270 nan 0.000 0.539 35 A N 0.216 123.163 122.820 0.211 0.000 2.014 35 A HA 0.323 4.673 4.320 0.050 0.000 0.218 35 A C 0.602 178.381 177.584 0.324 0.000 1.163 35 A CA 1.140 53.326 52.037 0.248 0.000 0.652 35 A CB -0.092 19.000 19.000 0.154 0.000 0.808 35 A HN 0.605 nan 8.150 nan 0.000 0.449 36 A N -0.704 122.241 122.820 0.210 0.000 2.365 36 A HA 0.765 5.115 4.320 0.050 0.000 0.318 36 A C -0.535 176.973 177.584 -0.127 0.000 1.091 36 A CA -0.437 51.661 52.037 0.102 0.000 0.763 36 A CB 0.996 20.030 19.000 0.058 0.000 1.248 36 A HN 0.402 nan 8.150 nan 0.000 0.442 37 M N 2.839 122.236 119.600 -0.338 0.000 2.501 37 M HA 0.652 5.162 4.480 0.050 0.000 0.293 37 M C -1.739 174.397 176.300 -0.272 0.000 1.192 37 M CA -0.599 54.385 55.300 -0.526 0.000 0.886 37 M CB 2.071 33.872 32.600 -1.332 0.000 1.710 37 M HN 0.881 nan 8.290 nan 0.000 0.457 38 M N 4.534 124.010 119.600 -0.207 0.000 2.395 38 M HA 0.546 5.055 4.480 0.050 0.000 0.307 38 M C -2.261 173.955 176.300 -0.140 0.000 1.091 38 M CA -0.716 54.501 55.300 -0.139 0.000 0.919 38 M CB 1.950 34.485 32.600 -0.110 0.000 1.662 38 M HN 0.727 nan 8.290 nan 0.000 0.440 39 L N 5.312 126.473 121.223 -0.104 0.000 2.316 39 L HA 0.667 5.037 4.340 0.050 0.000 0.280 39 L C -1.079 175.629 176.870 -0.270 0.000 1.006 39 L CA -0.747 54.020 54.840 -0.122 0.000 0.836 39 L CB 1.780 43.878 42.059 0.065 0.000 1.221 39 L HN 0.529 nan 8.230 nan 0.000 0.418 40 V N 3.454 123.102 119.914 -0.444 0.000 2.525 40 V HA 0.844 4.993 4.120 0.050 0.000 0.299 40 V C -0.419 175.139 176.094 -0.893 0.000 1.034 40 V CA -0.208 61.697 62.300 -0.659 0.000 0.863 40 V CB 1.765 33.300 31.823 -0.479 0.000 0.999 40 V HN 0.759 nan 8.190 nan 0.000 0.423 41 A N 6.477 128.526 122.820 -1.285 0.000 2.312 41 A HA 0.936 5.286 4.320 0.050 0.000 0.326 41 A C -1.153 175.931 177.584 -0.833 0.000 1.172 41 A CA -0.407 51.004 52.037 -1.043 0.000 0.821 41 A CB 0.800 18.944 19.000 -1.427 0.000 1.166 41 A HN 0.824 nan 8.150 nan 0.000 0.493 42 F N 0.513 120.337 119.950 -0.210 0.000 2.563 42 F HA 0.365 4.921 4.527 0.049 0.000 0.316 42 F C -0.167 175.633 175.800 0.000 0.000 1.076 42 F CA -0.539 57.407 58.000 -0.089 0.000 0.921 42 F CB 2.166 41.133 39.000 -0.056 0.000 1.209 42 F HN 0.466 nan 8.300 nan 0.000 0.462 43 D N 1.694 122.227 120.400 0.222 0.000 2.210 43 D HA 0.345 5.015 4.640 0.050 0.000 0.249 43 D C -0.603 175.799 176.300 0.170 0.000 1.078 43 D CA -0.079 54.032 54.000 0.184 0.000 0.875 43 D CB 2.278 43.164 40.800 0.143 0.000 1.175 43 D HN 0.081 nan 8.370 nan 0.000 0.440 44 V N 3.435 123.437 119.914 0.147 0.000 2.406 44 V HA 0.114 4.264 4.120 0.050 0.000 0.272 44 V C 1.276 177.442 176.094 0.120 0.000 1.043 44 V CA -0.339 62.019 62.300 0.098 0.000 0.915 44 V CB 1.143 32.996 31.823 0.050 0.000 0.988 44 V HN 0.416 nan 8.190 nan 0.000 0.466 45 L N 4.042 125.306 121.223 0.068 0.000 2.628 45 L HA 0.380 4.750 4.340 0.050 0.000 0.229 45 L C 1.342 178.253 176.870 0.070 0.000 1.137 45 L CA -0.057 54.822 54.840 0.064 0.000 0.909 45 L CB -0.219 41.862 42.059 0.036 0.000 1.137 45 L HN 0.699 nan 8.230 nan 0.000 0.470 46 A N 0.219 123.096 122.820 0.095 0.000 2.540 46 A HA 0.187 4.537 4.320 0.050 0.000 0.239 46 A C 1.287 179.014 177.584 0.238 0.000 1.061 46 A CA 0.195 52.299 52.037 0.112 0.000 0.758 46 A CB 0.376 19.359 19.000 -0.029 0.000 0.991 46 A HN 0.316 nan 8.150 nan 0.000 0.502 47 S N 0.732 116.505 115.700 0.123 0.000 2.458 47 S HA 0.135 4.635 4.470 0.050 0.000 0.223 47 S C 0.172 174.802 174.600 0.049 0.000 1.019 47 S CA 0.820 59.051 58.200 0.050 0.000 0.937 47 S CB -0.282 62.922 63.200 0.007 0.000 0.788 47 S HN 0.981 nan 8.310 nan 0.000 0.511 48 D N -0.968 119.528 120.400 0.159 0.000 2.671 48 D HA 0.293 4.963 4.640 0.050 0.000 0.273 48 D C 0.262 176.704 176.300 0.238 0.000 1.264 48 D CA -0.931 53.167 54.000 0.163 0.000 0.788 48 D CB 0.648 41.471 40.800 0.038 0.000 1.324 48 D HN -0.200 nan 8.370 nan 0.000 0.424 49 K N -0.096 120.430 120.400 0.209 0.000 2.107 49 K HA -0.298 4.052 4.320 0.050 0.000 0.211 49 K C 1.849 178.416 176.600 -0.054 0.000 1.049 49 K CA 2.040 58.366 56.287 0.064 0.000 0.927 49 K CB -0.522 32.004 32.500 0.043 0.000 0.714 49 K HN 0.502 nan 8.250 nan 0.000 0.452 50 A N 1.099 123.901 122.820 -0.030 0.000 1.902 50 A HA -0.199 4.151 4.320 0.050 0.000 0.217 50 A C 1.824 179.350 177.584 -0.097 0.000 1.181 50 A CA 2.066 54.067 52.037 -0.060 0.000 0.623 50 A CB -0.615 18.360 19.000 -0.041 0.000 0.818 50 A HN 0.441 nan 8.150 nan 0.000 0.443 51 D N -0.922 119.432 120.400 -0.077 0.000 2.219 51 D HA -0.083 4.586 4.640 0.050 0.000 0.205 51 D C 1.732 177.905 176.300 -0.212 0.000 0.970 51 D CA 0.765 54.704 54.000 -0.103 0.000 0.851 51 D CB -0.111 40.666 40.800 -0.038 0.000 0.943 51 D HN 0.313 nan 8.370 nan 0.000 0.488 52 L N 0.731 121.768 121.223 -0.309 0.000 2.072 52 L HA -0.024 4.346 4.340 0.050 0.000 0.205 52 L C 2.068 178.579 176.870 -0.600 0.000 1.079 52 L CA 1.664 56.131 54.840 -0.621 0.000 0.752 52 L CB -0.472 41.062 42.059 -0.875 0.000 0.906 52 L HN -0.036 nan 8.230 nan 0.000 0.436 53 E N -0.502 119.496 120.200 -0.337 0.000 2.085 53 E HA -0.321 4.059 4.350 0.050 0.000 0.194 53 E C 2.397 178.880 176.600 -0.195 0.000 0.994 53 E CA 1.362 57.650 56.400 -0.187 0.000 0.801 53 E CB -0.136 29.495 29.700 -0.116 0.000 0.743 53 E HN 0.415 nan 8.360 nan 0.000 0.453 54 R N 0.079 120.459 120.500 -0.200 0.000 2.094 54 R HA -0.216 4.154 4.340 0.050 0.000 0.239 54 R C 2.514 178.727 176.300 -0.145 0.000 1.137 54 R CA 1.727 57.727 56.100 -0.166 0.000 0.943 54 R CB -0.472 29.743 30.300 -0.143 0.000 0.850 54 R HN 0.277 nan 8.270 nan 0.000 0.433 55 L N 0.109 121.212 121.223 -0.200 0.000 1.989 55 L HA -0.171 4.199 4.340 0.050 0.000 0.211 55 L C 1.940 178.819 176.870 0.015 0.000 1.071 55 L CA 1.880 56.619 54.840 -0.169 0.000 0.749 55 L CB -0.805 41.060 42.059 -0.322 0.000 0.890 55 L HN 0.135 nan 8.230 nan 0.000 0.431 56 F N 0.240 120.147 119.950 -0.072 0.000 2.216 56 F HA -0.082 4.475 4.527 0.051 0.000 0.300 56 F C 2.696 178.547 175.800 0.085 0.000 1.085 56 F CA 1.073 59.102 58.000 0.050 0.000 1.326 56 F CB -0.966 38.112 39.000 0.130 0.000 1.027 56 F HN 0.155 nan 8.300 nan 0.000 0.497 57 R N -0.386 120.195 120.500 0.134 0.000 2.066 57 R HA -0.156 4.213 4.340 0.050 0.000 0.232 57 R C 2.164 178.463 176.300 -0.002 0.000 1.131 57 R CA 1.124 57.212 56.100 -0.019 0.000 0.955 57 R CB -0.960 29.213 30.300 -0.212 0.000 0.851 57 R HN 0.182 nan 8.270 nan 0.000 0.432 58 L N 1.411 122.623 121.223 -0.018 0.000 2.042 58 L HA -0.174 4.196 4.340 0.050 0.000 0.210 58 L C 1.944 178.802 176.870 -0.020 0.000 1.076 58 L CA 1.666 56.496 54.840 -0.016 0.000 0.749 58 L CB -0.513 41.528 42.059 -0.030 0.000 0.893 58 L HN 0.171 nan 8.230 nan 0.000 0.432 59 L N -1.540 119.658 121.223 -0.042 0.000 2.027 59 L HA -0.205 4.165 4.340 0.050 0.000 0.206 59 L C 2.336 178.990 176.870 -0.360 0.000 1.074 59 L CA 1.706 56.384 54.840 -0.270 0.000 0.745 59 L CB -1.054 40.783 42.059 -0.371 0.000 0.898 59 L HN 0.275 nan 8.230 nan 0.000 0.433 60 T N -0.729 113.762 114.554 -0.105 0.000 2.597 60 T HA -0.330 4.049 4.350 0.050 0.000 0.267 60 T C 1.816 176.445 174.700 -0.118 0.000 1.053 60 T CA 1.712 63.712 62.100 -0.166 0.000 1.165 60 T CB -0.410 68.398 68.868 -0.100 0.000 0.863 60 T HN 0.353 nan 8.240 nan 0.000 0.427 61 Q N 0.185 119.969 119.800 -0.028 0.000 2.062 61 Q HA -0.189 4.181 4.340 0.050 0.000 0.209 61 Q C 2.766 178.777 176.000 0.018 0.000 0.996 61 Q CA 1.409 57.221 55.803 0.013 0.000 0.859 61 Q CB -0.158 28.594 28.738 0.024 0.000 0.920 61 Q HN 0.258 nan 8.270 nan 0.000 0.415 62 R N -0.158 120.363 120.500 0.036 0.000 2.081 62 R HA -0.092 4.278 4.340 0.050 0.000 0.235 62 R C 2.136 178.560 176.300 0.207 0.000 1.131 62 R CA 1.183 57.363 56.100 0.134 0.000 0.960 62 R CB -0.832 29.555 30.300 0.146 0.000 0.856 62 R HN 0.274 nan 8.270 nan 0.000 0.436 63 F N 0.805 120.620 119.950 -0.225 0.000 2.113 63 F HA -0.003 4.557 4.527 0.054 0.000 0.297 63 F C 2.509 177.830 175.800 -0.798 0.000 1.103 63 F CA 0.492 58.212 58.000 -0.468 0.000 1.248 63 F CB -1.475 37.220 39.000 -0.508 0.000 0.999 63 F HN 0.051 nan 8.300 nan 0.000 0.475 64 A N -0.209 122.116 122.820 -0.824 0.000 1.948 64 A HA -0.268 4.082 4.320 0.050 0.000 0.220 64 A C 2.184 179.671 177.584 -0.162 0.000 1.177 64 A CA 1.834 53.490 52.037 -0.635 0.000 0.636 64 A CB -1.441 17.426 19.000 -0.221 0.000 0.815 64 A HN 0.352 nan 8.150 nan 0.000 0.449 65 F N 0.190 120.039 119.950 -0.167 0.000 2.098 65 F HA -0.018 4.541 4.527 0.053 0.000 0.294 65 F C 1.888 177.628 175.800 -0.100 0.000 1.107 65 F CA 1.592 59.539 58.000 -0.089 0.000 1.234 65 F CB -0.437 38.531 39.000 -0.054 0.000 1.002 65 F HN 0.116 nan 8.300 nan 0.000 0.472 66 L N -0.549 120.545 121.223 -0.215 0.000 2.131 66 L HA -0.208 4.162 4.340 0.050 0.000 0.210 66 L C 2.526 179.212 176.870 -0.307 0.000 1.092 66 L CA 1.798 56.455 54.840 -0.306 0.000 0.759 66 L CB -0.972 41.026 42.059 -0.101 0.000 0.903 66 L HN 0.264 nan 8.230 nan 0.000 0.435 67 T N -1.528 112.875 114.554 -0.251 0.000 2.896 67 T HA -0.102 4.278 4.350 0.050 0.000 0.263 67 T C 1.741 176.361 174.700 -0.135 0.000 1.050 67 T CA 0.987 62.986 62.100 -0.169 0.000 1.140 67 T CB 0.124 68.911 68.868 -0.134 0.000 0.877 67 T HN 0.256 nan 8.240 nan 0.000 0.457 68 Q N 0.255 119.961 119.800 -0.157 0.000 2.356 68 Q HA 0.333 4.703 4.340 0.050 0.000 0.205 68 Q C 1.326 177.207 176.000 -0.199 0.000 0.901 68 Q CA 0.519 56.259 55.803 -0.104 0.000 0.938 68 Q CB 0.138 28.867 28.738 -0.016 0.000 1.081 68 Q HN 0.618 nan 8.270 nan 0.000 0.517 69 G N 0.051 108.598 108.800 -0.421 0.000 2.855 69 G HA2 0.091 4.080 3.960 0.050 0.000 0.352 69 G HA3 0.091 4.080 3.960 0.050 0.000 0.352 69 G C 0.058 174.575 174.900 -0.639 0.000 1.415 69 G CA -0.056 44.684 45.100 -0.601 0.000 0.871 69 G HN 0.750 nan 8.290 nan 0.000 0.543 70 G N -2.031 106.295 108.800 -0.789 0.000 2.341 70 G HA2 0.707 4.697 3.960 0.050 0.000 0.293 70 G HA3 0.707 4.697 3.960 0.050 0.000 0.293 70 G C -0.056 174.505 174.900 -0.565 0.000 1.298 70 G CA 0.835 45.657 45.100 -0.463 0.000 0.868 70 G HN 2.509 nan 8.290 nan 0.000 0.540 71 A N -0.408 122.395 122.820 -0.028 0.000 2.498 71 A HA 0.721 5.071 4.320 0.050 0.000 0.239 71 A C 1.175 178.829 177.584 0.116 0.000 1.068 71 A CA 1.033 53.132 52.037 0.102 0.000 0.766 71 A CB -0.009 19.101 19.000 0.183 0.000 1.003 71 A HN 2.462 nan 8.150 nan 0.000 0.497 72 A N 3.410 126.282 122.820 0.087 0.000 2.483 72 A HA 0.502 4.852 4.320 0.050 0.000 0.238 72 A C -2.191 175.454 177.584 0.102 0.000 1.070 72 A CA -0.865 51.242 52.037 0.116 0.000 0.770 72 A CB -0.675 18.376 19.000 0.085 0.000 1.008 72 A HN 0.644 nan 8.150 nan 0.000 0.497 73 P HA 0.276 nan 4.420 nan 0.000 0.275 73 P C -0.266 177.056 177.300 0.036 0.000 1.276 73 P CA 0.005 63.117 63.100 0.020 0.000 0.782 73 P CB 0.627 32.313 31.700 -0.023 0.000 0.851 74 E N 1.721 121.939 120.200 0.029 0.000 2.342 74 E HA 0.335 4.715 4.350 0.050 0.000 0.257 74 E C -0.402 176.210 176.600 0.020 0.000 1.150 74 E CA -0.452 55.966 56.400 0.030 0.000 0.926 74 E CB 0.629 30.348 29.700 0.031 0.000 1.074 74 E HN 0.239 nan 8.360 nan 0.000 0.449 75 T N 3.818 118.384 114.554 0.020 0.000 3.155 75 T HA 0.222 4.602 4.350 0.050 0.000 0.384 75 T C -2.078 172.628 174.700 0.011 0.000 1.351 75 T CA -1.096 61.013 62.100 0.015 0.000 1.198 75 T CB 1.042 69.921 68.868 0.018 0.000 1.106 75 T HN 0.368 nan 8.240 nan 0.000 0.564 76 P HA 0.022 nan 4.420 nan 0.000 0.221 76 P C 0.443 177.746 177.300 0.004 0.000 1.150 76 P CA 0.582 63.685 63.100 0.006 0.000 0.800 76 P CB 0.271 31.973 31.700 0.003 0.000 0.787 77 N N -0.199 118.503 118.700 0.002 0.000 2.546 77 N HA 0.121 4.891 4.740 0.050 0.000 0.238 77 N C -1.763 173.749 175.510 0.003 0.000 0.984 77 N CA -2.198 50.853 53.050 0.001 0.000 0.935 77 N CB 1.116 39.602 38.487 -0.002 0.000 1.122 77 N HN -0.053 nan 8.380 nan 0.000 0.510 78 P HA -0.118 nan 4.420 nan 0.000 0.221 78 P C 0.886 178.189 177.300 0.005 0.000 1.145 78 P CA 0.839 63.943 63.100 0.007 0.000 0.795 78 P CB 0.538 32.242 31.700 0.007 0.000 0.775 79 R N -0.978 119.524 120.500 0.003 0.000 2.285 79 R HA 0.091 4.461 4.340 0.050 0.000 0.213 79 R C 1.059 177.360 176.300 0.001 0.000 1.068 79 R CA 0.344 56.445 56.100 0.001 0.000 1.004 79 R CB -0.306 29.994 30.300 -0.000 0.000 0.873 79 R HN 0.262 nan 8.270 nan 0.000 0.467 80 L N 0.825 122.048 121.223 0.001 0.000 2.352 80 L HA 0.425 4.795 4.340 0.050 0.000 0.269 80 L C -2.142 174.731 176.870 0.005 0.000 1.034 80 L CA -2.561 52.279 54.840 0.000 0.000 0.806 80 L CB 0.914 42.971 42.059 -0.004 0.000 1.244 80 L HN -0.220 nan 8.230 nan 0.000 0.447 81 P HA 0.108 nan 4.420 nan 0.000 0.268 81 P C -2.464 174.847 177.300 0.017 0.000 1.205 81 P CA -0.863 62.244 63.100 0.012 0.000 0.771 81 P CB -0.241 31.467 31.700 0.013 0.000 0.858 82 P HA 0.046 nan 4.420 nan 0.000 0.268 82 P C 0.388 177.709 177.300 0.036 0.000 1.204 82 P CA -0.031 63.086 63.100 0.028 0.000 0.768 82 P CB 0.620 32.339 31.700 0.032 0.000 0.842 83 L N 1.651 122.898 121.223 0.040 0.000 2.456 83 L HA 0.003 4.373 4.340 0.050 0.000 0.224 83 L C 1.015 177.920 176.870 0.057 0.000 1.148 83 L CA 1.714 56.589 54.840 0.057 0.000 0.825 83 L CB -0.783 41.305 42.059 0.049 0.000 0.937 83 L HN 0.474 nan 8.230 nan 0.000 0.450 84 D N -3.121 117.314 120.400 0.058 0.000 2.601 84 D HA 0.201 4.871 4.640 0.050 0.000 0.230 84 D C 1.044 177.386 176.300 0.071 0.000 1.106 84 D CA 0.190 54.237 54.000 0.078 0.000 0.873 84 D CB 1.461 42.349 40.800 0.147 0.000 1.515 84 D HN -0.073 nan 8.370 nan 0.000 0.468 85 S N 1.767 117.507 115.700 0.067 0.000 2.423 85 S HA 0.121 4.620 4.470 0.050 0.000 0.231 85 S C 1.870 176.521 174.600 0.086 0.000 1.014 85 S CA 0.743 58.980 58.200 0.061 0.000 0.965 85 S CB -0.285 62.938 63.200 0.040 0.000 0.785 85 S HN 1.169 nan 8.310 nan 0.000 0.495 86 G N 1.737 110.611 108.800 0.123 0.000 2.159 86 G HA2 -0.300 3.690 3.960 0.050 0.000 0.256 86 G HA3 -0.300 3.690 3.960 0.050 0.000 0.256 86 G C 0.563 175.507 174.900 0.073 0.000 0.977 86 G CA 0.311 45.463 45.100 0.087 0.000 0.652 86 G HN 1.076 nan 8.290 nan 0.000 0.531 87 I N -1.972 118.661 120.570 0.105 0.000 3.444 87 I HA 0.396 4.596 4.170 0.050 0.000 0.287 87 I C 1.585 177.720 176.117 0.031 0.000 1.302 87 I CA 0.684 62.028 61.300 0.074 0.000 1.368 87 I CB -0.081 37.973 38.000 0.089 0.000 1.048 87 I HN 0.166 nan 8.210 nan 0.000 0.487 88 L N 1.479 122.691 121.223 -0.019 0.000 2.910 88 L HA 0.553 4.923 4.340 0.050 0.000 0.252 88 L C 1.274 178.125 176.870 -0.032 0.000 1.195 88 L CA 0.029 54.822 54.840 -0.080 0.000 1.003 88 L CB -0.332 41.575 42.059 -0.254 0.000 1.328 88 L HN 0.507 nan 8.230 nan 0.000 0.540 89 G N 0.981 109.783 108.800 0.003 0.000 2.564 89 G HA2 -0.314 3.676 3.960 0.050 0.000 0.273 89 G HA3 -0.314 3.676 3.960 0.050 0.000 0.273 89 G C 0.654 175.576 174.900 0.037 0.000 1.242 89 G CA -0.101 45.013 45.100 0.024 0.000 0.951 89 G HN 0.383 nan 8.290 nan 0.000 0.564 90 G N -0.960 107.878 108.800 0.063 0.000 3.383 90 G HA2 0.490 4.480 3.960 0.050 0.000 0.251 90 G HA3 0.490 4.480 3.960 0.050 0.000 0.251 90 G C -0.145 174.851 174.900 0.160 0.000 1.203 90 G CA 1.069 46.222 45.100 0.089 0.000 0.852 90 G HN 1.298 nan 8.290 nan 0.000 0.531 91 Y N 0.181 120.468 120.300 -0.023 0.000 2.482 91 Y HA 0.450 5.028 4.550 0.047 0.000 0.334 91 Y C -1.349 174.496 175.900 -0.092 0.000 1.091 91 Y CA -1.540 56.541 58.100 -0.032 0.000 1.027 91 Y CB 1.441 39.883 38.460 -0.029 0.000 1.306 91 Y HN -0.087 nan 8.280 nan 0.000 0.446 92 I N 5.796 125.957 120.570 -0.683 0.000 2.316 92 I HA 0.428 4.628 4.170 0.050 0.000 0.286 92 I C 0.425 176.161 176.117 -0.634 0.000 1.107 92 I CA -0.524 60.431 61.300 -0.576 0.000 1.219 92 I CB -0.080 37.633 38.000 -0.478 0.000 1.455 92 I HN 0.726 nan 8.210 nan 0.000 0.498 93 A N 9.215 131.884 122.820 -0.253 0.000 2.388 93 A HA 0.503 4.853 4.320 0.050 0.000 0.257 93 A C -0.923 176.594 177.584 -0.111 0.000 1.095 93 A CA -0.927 51.099 52.037 -0.018 0.000 0.791 93 A CB 0.067 19.162 19.000 0.159 0.000 1.029 93 A HN 0.493 nan 8.150 nan 0.000 0.489 94 P HA -0.209 nan 4.420 nan 0.000 0.215 94 P C 0.325 177.591 177.300 -0.057 0.000 1.157 94 P CA 1.826 64.871 63.100 -0.092 0.000 0.874 94 P CB -0.102 31.570 31.700 -0.047 0.000 0.790 95 D N -1.677 118.710 120.400 -0.022 0.000 2.870 95 D HA -0.171 4.499 4.640 0.050 0.000 0.228 95 D C -0.174 176.124 176.300 -0.002 0.000 1.147 95 D CA 0.965 54.959 54.000 -0.010 0.000 0.757 95 D CB -2.005 38.782 40.800 -0.021 0.000 1.091 95 D HN 0.071 nan 8.370 nan 0.000 0.429 96 N N -2.054 116.647 118.700 0.002 0.000 2.708 96 N HA -0.253 4.517 4.740 0.050 0.000 0.251 96 N C 0.056 175.568 175.510 0.004 0.000 1.123 96 N CA 0.994 54.051 53.050 0.012 0.000 0.739 96 N CB -1.270 37.234 38.487 0.028 0.000 1.113 96 N HN 0.559 nan 8.380 nan 0.000 0.561 97 L N 1.624 122.834 121.223 -0.023 0.000 2.540 97 L HA 0.159 4.529 4.340 0.050 0.000 0.276 97 L C 0.762 177.610 176.870 -0.036 0.000 1.212 97 L CA 0.616 55.430 54.840 -0.044 0.000 0.893 97 L CB 0.521 42.531 42.059 -0.081 0.000 1.138 97 L HN 0.285 nan 8.230 nan 0.000 0.491 98 T N 3.474 118.007 114.554 -0.035 0.000 2.861 98 T HA 0.717 5.097 4.350 0.050 0.000 0.287 98 T C -0.427 174.226 174.700 -0.078 0.000 1.003 98 T CA -0.620 61.472 62.100 -0.013 0.000 0.977 98 T CB 1.059 69.950 68.868 0.038 0.000 0.996 98 T HN 0.451 nan 8.240 nan 0.000 0.448 99 I N 2.695 123.204 120.570 -0.102 0.000 2.439 99 I HA 0.353 4.553 4.170 0.050 0.000 0.283 99 I C -0.224 175.882 176.117 -0.019 0.000 1.023 99 I CA -0.684 60.459 61.300 -0.260 0.000 1.100 99 I CB 2.170 39.637 38.000 -0.889 0.000 1.238 99 I HN 0.704 nan 8.210 nan 0.000 0.445 100 T N 6.713 121.274 114.554 0.011 0.000 2.756 100 T HA 0.481 4.861 4.350 0.050 0.000 0.290 100 T C -0.454 174.279 174.700 0.054 0.000 0.985 100 T CA -0.430 61.727 62.100 0.095 0.000 0.955 100 T CB 1.271 70.191 68.868 0.088 0.000 0.930 100 T HN 0.275 nan 8.240 nan 0.000 0.451 101 L N 3.894 125.128 121.223 0.018 0.000 2.289 101 L HA 0.763 5.133 4.340 0.050 0.000 0.285 101 L C -0.067 176.762 176.870 -0.068 0.000 1.049 101 L CA -0.065 54.705 54.840 -0.117 0.000 0.804 101 L CB 1.023 42.773 42.059 -0.516 0.000 1.195 101 L HN 0.720 nan 8.230 nan 0.000 0.428 102 S N 4.069 119.766 115.700 -0.005 0.000 2.549 102 S HA 0.838 5.338 4.470 0.050 0.000 0.280 102 S C -0.650 174.099 174.600 0.249 0.000 1.109 102 S CA -0.348 57.932 58.200 0.135 0.000 0.905 102 S CB 1.486 64.774 63.200 0.147 0.000 1.081 102 S HN 1.143 nan 8.310 nan 0.000 0.477 103 V N 0.047 120.230 119.914 0.449 0.000 2.459 103 V HA 0.957 5.107 4.120 0.050 0.000 0.295 103 V C 0.544 177.067 176.094 0.715 0.000 1.029 103 V CA -0.259 62.370 62.300 0.548 0.000 0.874 103 V CB 0.769 32.922 31.823 0.552 0.000 0.985 103 V HN 1.221 nan 8.190 nan 0.000 0.438 104 G N 1.329 110.539 108.800 0.684 0.000 2.528 104 G HA2 0.350 4.340 3.960 0.050 0.000 0.289 104 G HA3 0.350 4.340 3.960 0.050 0.000 0.289 104 G C 0.362 175.569 174.900 0.513 0.000 1.192 104 G CA 0.124 45.550 45.100 0.543 0.000 0.921 104 G HN 1.143 nan 8.290 nan 0.000 0.512 105 H N 0.336 119.576 119.070 0.284 0.000 2.352 105 H HA -0.206 4.380 4.556 0.049 0.000 0.299 105 H C 2.641 178.183 175.328 0.356 0.000 1.097 105 H CA 2.701 58.917 56.048 0.280 0.000 1.311 105 H CB -0.159 29.688 29.762 0.141 0.000 1.377 105 H HN 0.443 nan 8.280 nan 0.000 0.504 106 S N -0.193 115.564 115.700 0.095 0.000 2.440 106 S HA -0.194 4.306 4.470 0.050 0.000 0.240 106 S C 2.161 176.824 174.600 0.105 0.000 1.014 106 S CA 1.250 59.460 58.200 0.016 0.000 0.980 106 S CB -0.784 62.471 63.200 0.092 0.000 0.775 106 S HN 0.422 nan 8.310 nan 0.000 0.499 107 L N -0.115 121.248 121.223 0.234 0.000 2.362 107 L HA 0.258 4.628 4.340 0.050 0.000 0.219 107 L C 0.529 177.391 176.870 -0.014 0.000 1.134 107 L CA 1.185 56.114 54.840 0.148 0.000 0.807 107 L CB -0.355 41.745 42.059 0.069 0.000 0.927 107 L HN 0.296 nan 8.230 nan 0.000 0.447 108 F N -0.261 119.726 119.950 0.060 0.000 2.983 108 F HA 0.241 4.797 4.527 0.049 0.000 0.307 108 F C 0.535 176.328 175.800 -0.012 0.000 1.218 108 F CA -1.235 56.799 58.000 0.058 0.000 1.323 108 F CB -0.628 38.426 39.000 0.092 0.000 0.989 108 F HN 0.178 nan 8.300 nan 0.000 0.509 109 D N -1.591 118.851 120.400 0.070 0.000 2.588 109 D HA 0.075 4.744 4.640 0.050 0.000 0.268 109 D C 1.403 177.684 176.300 -0.032 0.000 1.176 109 D CA -0.508 53.497 54.000 0.008 0.000 1.080 109 D CB 0.152 40.931 40.800 -0.036 0.000 1.186 109 D HN 0.039 nan 8.370 nan 0.000 0.619 110 E N 0.226 120.391 120.200 -0.058 0.000 2.284 110 E HA -0.302 4.077 4.350 0.050 0.000 0.200 110 E C 1.551 178.039 176.600 -0.186 0.000 1.008 110 E CA 1.063 57.410 56.400 -0.088 0.000 0.829 110 E CB -0.463 29.191 29.700 -0.076 0.000 0.744 110 E HN 0.489 nan 8.360 nan 0.000 0.491 111 R N -0.788 119.514 120.500 -0.329 0.000 2.148 111 R HA -0.005 4.365 4.340 0.050 0.000 0.227 111 R C 0.926 176.663 176.300 -0.938 0.000 1.103 111 R CA 1.445 57.111 56.100 -0.724 0.000 0.983 111 R CB -0.044 29.611 30.300 -1.075 0.000 0.874 111 R HN 0.231 nan 8.270 nan 0.000 0.451 112 F N -2.140 117.755 119.950 -0.091 0.000 2.915 112 F HA 0.322 4.879 4.527 0.050 0.000 0.347 112 F C 0.913 176.655 175.800 -0.098 0.000 1.104 112 F CA 0.053 57.983 58.000 -0.117 0.000 1.126 112 F CB 0.927 39.819 39.000 -0.180 0.000 1.145 112 F HN 0.028 nan 8.300 nan 0.000 0.541 113 G N 1.703 110.531 108.800 0.048 0.000 2.272 113 G HA2 -0.280 3.710 3.960 0.050 0.000 0.280 113 G HA3 -0.280 3.710 3.960 0.050 0.000 0.280 113 G C 0.465 175.401 174.900 0.060 0.000 1.067 113 G CA 0.591 45.716 45.100 0.042 0.000 0.902 113 G HN 0.442 nan 8.290 nan 0.000 0.500 114 L N -0.886 120.381 121.223 0.074 0.000 2.766 114 L HA 0.389 4.759 4.340 0.050 0.000 0.242 114 L C 2.775 179.848 176.870 0.338 0.000 1.136 114 L CA 0.638 55.544 54.840 0.110 0.000 0.933 114 L CB -0.166 41.796 42.059 -0.161 0.000 1.241 114 L HN 0.343 nan 8.230 nan 0.000 0.522 115 A N 2.033 125.014 122.820 0.268 0.000 1.896 115 A HA -0.193 4.157 4.320 0.050 0.000 0.220 115 A C -0.044 177.690 177.584 0.250 0.000 1.206 115 A CA 2.313 54.517 52.037 0.279 0.000 0.647 115 A CB -1.841 17.260 19.000 0.168 0.000 0.828 115 A HN 0.320 nan 8.150 nan 0.000 0.455 116 P HA -0.073 nan 4.420 nan 0.000 0.229 116 P C 0.700 178.121 177.300 0.201 0.000 1.160 116 P CA 0.865 64.062 63.100 0.162 0.000 0.777 116 P CB 0.013 31.787 31.700 0.124 0.000 0.814 117 Q N -0.862 119.112 119.800 0.290 0.000 2.204 117 Q HA 0.230 4.600 4.340 0.050 0.000 0.209 117 Q C 0.661 176.976 176.000 0.524 0.000 0.861 117 Q CA -0.429 55.620 55.803 0.411 0.000 0.971 117 Q CB 0.087 29.052 28.738 0.377 0.000 1.095 117 Q HN 0.344 nan 8.270 nan 0.000 0.486 118 M N 2.105 121.855 119.600 0.251 0.000 2.245 118 M HA 0.127 4.637 4.480 0.050 0.000 0.344 118 M C -2.249 173.964 176.300 -0.145 0.000 1.170 118 M CA -1.435 53.756 55.300 -0.183 0.000 1.135 118 M CB 0.667 33.167 32.600 -0.167 0.000 1.574 118 M HN -0.165 nan 8.290 nan 0.000 0.452 119 P HA 0.032 nan 4.420 nan 0.000 0.268 119 P C -0.438 176.828 177.300 -0.057 0.000 1.204 119 P CA 0.000 62.895 63.100 -0.343 0.000 0.768 119 P CB 0.458 31.771 31.700 -0.645 0.000 0.842 120 K N 2.613 123.026 120.400 0.021 0.000 2.097 120 K HA -0.078 4.271 4.320 0.050 0.000 0.205 120 K C 1.096 177.710 176.600 0.023 0.000 1.050 120 K CA 1.431 57.734 56.287 0.026 0.000 0.938 120 K CB -0.035 32.478 32.500 0.022 0.000 0.718 120 K HN 0.384 nan 8.250 nan 0.000 0.442 121 K N 0.799 121.227 120.400 0.046 0.000 2.361 121 K HA 0.088 4.438 4.320 0.050 0.000 0.194 121 K C 0.711 177.251 176.600 -0.099 0.000 1.032 121 K CA -0.268 55.934 56.287 -0.140 0.000 1.048 121 K CB -0.316 31.936 32.500 -0.415 0.000 0.842 121 K HN 0.027 nan 8.250 nan 0.000 0.526 122 L N 3.494 124.808 121.223 0.153 0.000 2.559 122 L HA -0.079 4.291 4.340 0.050 0.000 0.274 122 L C 0.278 177.155 176.870 0.011 0.000 1.205 122 L CA 0.909 55.879 54.840 0.217 0.000 0.907 122 L CB -0.009 42.210 42.059 0.268 0.000 1.153 122 L HN 0.274 nan 8.230 nan 0.000 0.490 123 Q N 3.936 123.753 119.800 0.028 0.000 2.857 123 Q HA 0.429 4.799 4.340 0.050 0.000 0.319 123 Q C -1.290 174.706 176.000 -0.007 0.000 0.963 123 Q CA -1.148 54.562 55.803 -0.155 0.000 0.770 123 Q CB 1.318 30.009 28.738 -0.078 0.000 1.492 123 Q HN 0.556 nan 8.270 nan 0.000 0.493 124 K N 0.842 121.175 120.400 -0.111 0.000 2.185 124 K HA 0.295 4.645 4.320 0.050 0.000 0.271 124 K C -0.370 176.165 176.600 -0.107 0.000 1.013 124 K CA -0.392 55.854 56.287 -0.068 0.000 0.943 124 K CB 1.042 33.475 32.500 -0.112 0.000 0.998 124 K HN 0.724 nan 8.250 nan 0.000 0.468 125 M N 3.518 122.922 119.600 -0.326 0.000 2.217 125 M HA 0.025 4.535 4.480 0.050 0.000 0.352 125 M C -0.423 175.769 176.300 -0.180 0.000 1.376 125 M CA 0.361 55.288 55.300 -0.621 0.000 1.107 125 M CB 0.564 32.634 32.600 -0.883 0.000 1.723 125 M HN 0.719 nan 8.290 nan 0.000 0.461 126 T N 3.110 117.551 114.554 -0.187 0.000 2.885 126 T HA 0.525 4.905 4.350 0.050 0.000 0.285 126 T C -0.239 174.291 174.700 -0.283 0.000 1.019 126 T CA -1.221 60.772 62.100 -0.178 0.000 1.010 126 T CB 1.189 69.955 68.868 -0.170 0.000 1.022 126 T HN 0.885 nan 8.240 nan 0.000 0.466 127 R N 1.128 121.521 120.500 -0.177 0.000 2.697 127 R HA 0.281 4.651 4.340 0.050 0.000 0.265 127 R C -1.342 174.805 176.300 -0.255 0.000 1.009 127 R CA -0.080 55.943 56.100 -0.128 0.000 1.099 127 R CB -0.068 30.203 30.300 -0.048 0.000 0.965 127 R HN 0.525 nan 8.270 nan 0.000 0.428 128 F N 2.230 122.191 119.950 0.018 0.000 2.523 128 F HA 0.375 4.933 4.527 0.051 0.000 0.329 128 F C -1.250 174.546 175.800 -0.008 0.000 1.061 128 F CA -2.683 55.321 58.000 0.006 0.000 0.967 128 F CB 1.662 40.666 39.000 0.007 0.000 1.218 128 F HN 0.419 nan 8.300 nan 0.000 0.480 129 P HA -0.290 nan 4.420 nan 0.000 0.222 129 P C 1.100 178.440 177.300 0.067 0.000 1.159 129 P CA 1.913 65.068 63.100 0.091 0.000 0.920 129 P CB 0.178 31.920 31.700 0.070 0.000 0.793 130 N N -1.773 116.972 118.700 0.074 0.000 2.412 130 N HA -0.033 4.737 4.740 0.050 0.000 0.184 130 N C -0.369 175.171 175.510 0.051 0.000 1.101 130 N CA 0.106 53.182 53.050 0.043 0.000 0.881 130 N CB -0.504 37.995 38.487 0.022 0.000 0.969 130 N HN -0.015 nan 8.380 nan 0.000 0.459 131 D N -0.525 119.924 120.400 0.082 0.000 2.400 131 D HA 0.058 4.728 4.640 0.050 0.000 0.238 131 D C -0.284 176.035 176.300 0.032 0.000 1.157 131 D CA 0.696 54.738 54.000 0.071 0.000 0.889 131 D CB 0.659 41.521 40.800 0.104 0.000 1.199 131 D HN -0.039 nan 8.370 nan 0.000 0.436 132 S N 0.879 116.588 115.700 0.015 0.000 2.204 132 S HA 0.216 4.716 4.470 0.050 0.000 0.178 132 S C 0.162 174.748 174.600 -0.024 0.000 1.493 132 S CA -0.592 57.606 58.200 -0.003 0.000 1.266 132 S CB -0.068 63.130 63.200 -0.002 0.000 1.232 132 S HN 0.246 nan 8.310 nan 0.000 0.406 133 L N 2.657 123.863 121.223 -0.028 0.000 2.584 133 L HA 0.125 4.495 4.340 0.050 0.000 0.272 133 L C 0.389 177.218 176.870 -0.069 0.000 1.195 133 L CA 0.115 54.916 54.840 -0.065 0.000 0.920 133 L CB 0.139 42.160 42.059 -0.063 0.000 1.173 133 L HN 0.337 nan 8.230 nan 0.000 0.489 134 D N 2.878 123.217 120.400 -0.102 0.000 2.232 134 D HA 0.287 4.957 4.640 0.050 0.000 0.242 134 D C 0.705 176.937 176.300 -0.112 0.000 1.093 134 D CA -0.278 53.669 54.000 -0.089 0.000 0.845 134 D CB 2.038 42.782 40.800 -0.093 0.000 1.124 134 D HN 0.521 nan 8.370 nan 0.000 0.467 135 A N 3.953 126.740 122.820 -0.054 0.000 2.019 135 A HA -0.016 4.334 4.320 0.050 0.000 0.219 135 A C 2.068 179.641 177.584 -0.018 0.000 1.164 135 A CA 1.695 53.721 52.037 -0.020 0.000 0.644 135 A CB -0.639 18.382 19.000 0.035 0.000 0.805 135 A HN 0.689 nan 8.150 nan 0.000 0.449 136 A N -0.639 122.165 122.820 -0.027 0.000 2.024 136 A HA 0.024 4.374 4.320 0.050 0.000 0.220 136 A C 1.615 179.189 177.584 -0.017 0.000 1.164 136 A CA 1.464 53.505 52.037 0.007 0.000 0.643 136 A CB -0.385 18.614 19.000 -0.003 0.000 0.806 136 A HN 0.510 nan 8.150 nan 0.000 0.451 137 L N -1.304 119.778 121.223 -0.235 0.000 3.168 137 L HA 0.235 4.604 4.340 0.050 0.000 0.277 137 L C -0.665 175.588 176.870 -1.029 0.000 1.245 137 L CA -0.615 53.807 54.840 -0.698 0.000 1.035 137 L CB 0.513 42.225 42.059 -0.578 0.000 1.399 137 L HN 0.224 nan 8.230 nan 0.000 0.580 138 C N -0.314 118.672 119.300 -0.524 0.000 2.561 138 C HA 0.687 5.177 4.460 0.050 0.000 0.319 138 C C 0.459 175.332 174.990 -0.194 0.000 1.198 138 C CA -0.590 58.061 59.018 -0.612 0.000 1.665 138 C CB 1.108 28.251 27.740 -0.996 0.000 2.258 138 C HN 0.624 nan 8.230 nan 0.000 0.493 139 H N 0.492 119.764 119.070 0.337 0.000 1.452 139 H HA -0.067 4.519 4.556 0.051 0.000 0.090 139 H C 0.210 175.883 175.328 0.576 0.000 1.372 139 H CA 1.192 57.434 56.048 0.323 0.000 1.901 139 H CB -1.729 28.120 29.762 0.146 0.000 2.257 139 H HN 2.039 nan 8.280 nan 0.000 0.961 140 G N -0.077 109.056 108.800 0.555 0.000 2.592 140 G HA2 0.002 3.991 3.960 0.050 0.000 0.685 140 G HA3 0.002 3.991 3.960 0.050 0.000 0.685 140 G C 0.040 175.204 174.900 0.440 0.000 1.278 140 G CA 0.371 45.724 45.100 0.421 0.000 0.822 140 G HN 0.571 nan 8.290 nan 0.000 0.652 141 D N -1.140 119.453 120.400 0.322 0.000 2.117 141 D HA 0.007 4.677 4.640 0.050 0.000 0.198 141 D C 1.654 178.159 176.300 0.342 0.000 0.982 141 D CA 2.471 56.656 54.000 0.309 0.000 0.828 141 D CB 0.283 41.221 40.800 0.230 0.000 0.967 141 D HN 1.094 nan 8.370 nan 0.000 0.464 142 V N -1.079 119.008 119.914 0.289 0.000 2.876 142 V HA 0.632 4.782 4.120 0.050 0.000 0.312 142 V C -0.896 175.251 176.094 0.088 0.000 1.085 142 V CA -1.180 61.259 62.300 0.233 0.000 0.945 142 V CB 2.510 34.452 31.823 0.199 0.000 1.017 142 V HN -0.090 nan 8.190 nan 0.000 0.428 143 L N 4.074 125.218 121.223 -0.132 0.000 2.346 143 L HA 0.729 5.099 4.340 0.050 0.000 0.274 143 L C -0.912 175.851 176.870 -0.178 0.000 1.007 143 L CA -0.439 54.169 54.840 -0.386 0.000 0.818 143 L CB 1.652 43.117 42.059 -0.990 0.000 1.284 143 L HN 0.784 nan 8.230 nan 0.000 0.424 144 L N 4.257 125.400 121.223 -0.132 0.000 2.317 144 L HA 0.510 4.880 4.340 0.050 0.000 0.281 144 L C -0.428 176.363 176.870 -0.132 0.000 1.024 144 L CA -0.520 54.283 54.840 -0.062 0.000 0.810 144 L CB 1.702 43.798 42.059 0.061 0.000 1.240 144 L HN 0.641 nan 8.230 nan 0.000 0.427 145 Q N 4.179 123.923 119.800 -0.094 0.000 2.400 145 Q HA 0.481 4.851 4.340 0.050 0.000 0.255 145 Q C -1.189 174.748 176.000 -0.105 0.000 1.008 145 Q CA -0.438 55.316 55.803 -0.082 0.000 0.841 145 Q CB 1.246 29.985 28.738 0.002 0.000 1.220 145 Q HN 0.577 nan 8.270 nan 0.000 0.474 146 I N 3.816 124.305 120.570 -0.135 0.000 2.354 146 I HA 0.348 4.548 4.170 0.050 0.000 0.286 146 I C -0.661 175.373 176.117 -0.138 0.000 1.007 146 I CA -0.626 60.585 61.300 -0.149 0.000 1.167 146 I CB 1.224 39.134 38.000 -0.150 0.000 1.320 146 I HN 0.570 nan 8.210 nan 0.000 0.458 147 C N 5.489 124.726 119.300 -0.105 0.000 2.507 147 C HA 0.981 5.471 4.460 0.050 0.000 0.319 147 C C 0.262 175.230 174.990 -0.036 0.000 1.208 147 C CA -0.225 58.746 59.018 -0.078 0.000 1.619 147 C CB 1.102 28.832 27.740 -0.016 0.000 2.230 147 C HN 0.899 nan 8.230 nan 0.000 0.492 148 A N 2.641 125.454 122.820 -0.011 0.000 2.586 148 A HA 0.542 4.892 4.320 0.050 0.000 0.290 148 A C 0.346 177.952 177.584 0.036 0.000 1.086 148 A CA -0.380 51.660 52.037 0.005 0.000 0.665 148 A CB 0.503 19.492 19.000 -0.019 0.000 1.279 148 A HN 0.694 nan 8.150 nan 0.000 0.423 149 N N 0.243 118.963 118.700 0.033 0.000 2.149 149 N HA -0.077 4.692 4.740 0.050 0.000 0.188 149 N C 0.891 176.426 175.510 0.043 0.000 1.019 149 N CA 2.143 55.220 53.050 0.044 0.000 0.857 149 N CB -0.260 38.245 38.487 0.030 0.000 0.997 149 N HN 1.019 nan 8.380 nan 0.000 0.426 150 T N -4.054 110.515 114.554 0.025 0.000 2.883 150 T HA 0.265 4.645 4.350 0.050 0.000 0.296 150 T C 0.730 175.439 174.700 0.015 0.000 1.117 150 T CA -0.799 61.314 62.100 0.021 0.000 1.006 150 T CB 2.571 71.445 68.868 0.009 0.000 1.191 150 T HN -0.095 nan 8.240 nan 0.000 0.508 151 Q N 0.085 119.894 119.800 0.015 0.000 2.050 151 Q HA -0.141 4.228 4.340 0.050 0.000 0.202 151 Q C 1.259 177.266 176.000 0.011 0.000 0.980 151 Q CA 2.444 58.254 55.803 0.012 0.000 0.840 151 Q CB -0.362 28.383 28.738 0.011 0.000 0.898 151 Q HN 0.839 nan 8.270 nan 0.000 0.424 152 D N -0.461 119.946 120.400 0.012 0.000 2.154 152 D HA -0.221 4.449 4.640 0.050 0.000 0.190 152 D C 1.777 178.098 176.300 0.034 0.000 1.003 152 D CA 2.249 56.261 54.000 0.019 0.000 0.849 152 D CB -0.587 40.216 40.800 0.005 0.000 0.942 152 D HN 0.223 nan 8.370 nan 0.000 0.446 153 T N -0.106 114.453 114.554 0.010 0.000 2.788 153 T HA -0.105 4.275 4.350 0.050 0.000 0.268 153 T C 2.119 176.836 174.700 0.028 0.000 1.044 153 T CA 0.696 62.799 62.100 0.006 0.000 1.139 153 T CB -0.347 68.505 68.868 -0.026 0.000 0.867 153 T HN -0.017 nan 8.240 nan 0.000 0.454 154 V N 1.391 121.305 119.914 0.001 0.000 2.283 154 V HA -0.071 4.079 4.120 0.050 0.000 0.243 154 V C 2.390 178.475 176.094 -0.015 0.000 1.039 154 V CA 1.337 63.621 62.300 -0.026 0.000 1.016 154 V CB -0.481 31.317 31.823 -0.041 0.000 0.650 154 V HN 0.487 nan 8.190 nan 0.000 0.449 155 I N -0.272 120.301 120.570 0.006 0.000 2.335 155 I HA -0.291 3.909 4.170 0.050 0.000 0.251 155 I C 2.505 178.635 176.117 0.021 0.000 1.129 155 I CA 1.863 63.169 61.300 0.010 0.000 1.402 155 I CB -0.721 37.291 38.000 0.020 0.000 1.069 155 I HN 0.493 nan 8.210 nan 0.000 0.424 156 H N 1.593 120.642 119.070 -0.034 0.000 2.357 156 H HA -0.100 4.485 4.556 0.049 0.000 0.301 156 H C 2.235 177.536 175.328 -0.043 0.000 1.082 156 H CA 1.659 57.687 56.048 -0.034 0.000 1.342 156 H CB 0.300 30.039 29.762 -0.039 0.000 1.389 156 H HN 0.308 nan 8.280 nan 0.000 0.511 157 A N 1.496 124.289 122.820 -0.046 0.000 1.877 157 A HA -0.155 4.195 4.320 0.050 0.000 0.216 157 A C 2.594 180.103 177.584 -0.125 0.000 1.186 157 A CA 1.447 53.420 52.037 -0.107 0.000 0.620 157 A CB -1.006 17.931 19.000 -0.104 0.000 0.822 157 A HN 0.440 nan 8.150 nan 0.000 0.443 158 L N -0.160 121.016 121.223 -0.078 0.000 1.971 158 L HA -0.225 4.145 4.340 0.050 0.000 0.215 158 L C 2.538 179.389 176.870 -0.030 0.000 1.072 158 L CA 2.397 57.227 54.840 -0.017 0.000 0.758 158 L CB -0.471 41.584 42.059 -0.007 0.000 0.889 158 L HN 0.368 nan 8.230 nan 0.000 0.433 159 R N -0.557 119.892 120.500 -0.085 0.000 2.115 159 R HA -0.165 4.205 4.340 0.050 0.000 0.230 159 R C 2.195 178.416 176.300 -0.131 0.000 1.111 159 R CA 1.349 57.399 56.100 -0.085 0.000 0.976 159 R CB -0.673 29.573 30.300 -0.089 0.000 0.870 159 R HN 0.604 nan 8.270 nan 0.000 0.445 160 D N 0.955 121.210 120.400 -0.243 0.000 2.092 160 D HA -0.175 4.495 4.640 0.050 0.000 0.193 160 D C 1.841 178.016 176.300 -0.207 0.000 0.994 160 D CA 1.326 55.158 54.000 -0.280 0.000 0.828 160 D CB 0.088 40.685 40.800 -0.339 0.000 0.963 160 D HN 0.145 nan 8.370 nan 0.000 0.450 161 I N 0.858 121.363 120.570 -0.108 0.000 2.127 161 I HA -0.284 3.916 4.170 0.050 0.000 0.241 161 I C 2.699 178.796 176.117 -0.033 0.000 1.075 161 I CA 0.776 62.052 61.300 -0.040 0.000 1.334 161 I CB -0.255 37.756 38.000 0.019 0.000 1.040 161 I HN 0.057 nan 8.210 nan 0.000 0.405 162 I N 0.668 121.238 120.570 -0.000 0.000 2.113 162 I HA -0.392 3.808 4.170 0.050 0.000 0.242 162 I C 2.640 178.776 176.117 0.031 0.000 1.064 162 I CA 1.706 63.025 61.300 0.032 0.000 1.320 162 I CB -0.323 37.724 38.000 0.078 0.000 1.028 162 I HN 0.191 nan 8.210 nan 0.000 0.406 163 K N 0.442 120.861 120.400 0.030 0.000 2.089 163 K HA -0.250 4.100 4.320 0.050 0.000 0.210 163 K C 1.915 178.624 176.600 0.182 0.000 1.048 163 K CA 1.878 58.215 56.287 0.083 0.000 0.926 163 K CB -0.360 32.182 32.500 0.070 0.000 0.714 163 K HN 0.512 nan 8.250 nan 0.000 0.448 164 H N -1.770 117.274 119.070 -0.043 0.000 2.539 164 H HA 0.060 4.646 4.556 0.051 0.000 0.267 164 H C 0.083 175.372 175.328 -0.064 0.000 0.982 164 H CA 0.958 56.975 56.048 -0.051 0.000 1.146 164 H CB 0.382 30.116 29.762 -0.047 0.000 1.382 164 H HN 0.371 nan 8.280 nan 0.000 0.577 165 T N -2.637 111.938 114.554 0.035 0.000 3.571 165 T HA 0.119 4.498 4.350 0.050 0.000 0.292 165 T C -2.212 172.466 174.700 -0.036 0.000 0.994 165 T CA -1.084 60.994 62.100 -0.036 0.000 0.996 165 T CB 0.558 69.360 68.868 -0.110 0.000 1.185 165 T HN 0.065 nan 8.240 nan 0.000 0.482 166 P HA 0.077 nan 4.420 nan 0.000 0.231 166 P C 0.596 177.893 177.300 -0.005 0.000 1.168 166 P CA 0.854 63.954 63.100 -0.000 0.000 0.779 166 P CB 0.092 31.795 31.700 0.005 0.000 0.844 167 D N -1.402 118.986 120.400 -0.020 0.000 2.395 167 D HA 0.075 4.745 4.640 0.050 0.000 0.213 167 D C 1.381 177.664 176.300 -0.027 0.000 1.110 167 D CA -0.055 53.934 54.000 -0.019 0.000 0.835 167 D CB -0.327 40.457 40.800 -0.026 0.000 0.965 167 D HN 0.220 nan 8.370 nan 0.000 0.505 168 L N -0.912 120.287 121.223 -0.040 0.000 2.806 168 L HA 0.354 4.724 4.340 0.050 0.000 0.242 168 L C 0.247 177.071 176.870 -0.075 0.000 1.068 168 L CA 0.231 55.031 54.840 -0.067 0.000 0.923 168 L CB 0.871 42.871 42.059 -0.097 0.000 1.364 168 L HN -0.102 nan 8.230 nan 0.000 0.511 169 L N -1.140 120.040 121.223 -0.071 0.000 2.393 169 L HA 0.486 4.856 4.340 0.050 0.000 0.260 169 L C -0.653 176.275 176.870 0.096 0.000 1.002 169 L CA -0.379 54.425 54.840 -0.060 0.000 0.818 169 L CB 2.374 44.204 42.059 -0.382 0.000 1.369 169 L HN -0.232 nan 8.230 nan 0.000 0.412 170 S N 0.885 116.734 115.700 0.248 0.000 2.736 170 S HA 0.468 4.968 4.470 0.050 0.000 0.285 170 S C -0.809 173.957 174.600 0.277 0.000 1.163 170 S CA -0.482 57.857 58.200 0.232 0.000 1.025 170 S CB 1.425 64.703 63.200 0.129 0.000 1.030 170 S HN 0.282 nan 8.310 nan 0.000 0.486 171 V N 6.602 126.628 119.914 0.187 0.000 2.557 171 V HA 0.150 4.300 4.120 0.050 0.000 0.301 171 V C 1.470 177.477 176.094 -0.144 0.000 1.026 171 V CA 0.772 62.970 62.300 -0.170 0.000 1.137 171 V CB 0.750 32.473 31.823 -0.166 0.000 0.917 171 V HN 0.955 nan 8.190 nan 0.000 0.484 172 R N 5.026 125.364 120.500 -0.271 0.000 2.076 172 R HA 0.195 4.565 4.340 0.050 0.000 0.203 172 R C 0.114 176.417 176.300 0.006 0.000 1.229 172 R CA 0.389 56.432 56.100 -0.095 0.000 1.094 172 R CB 0.576 30.832 30.300 -0.073 0.000 0.991 172 R HN 0.791 nan 8.270 nan 0.000 0.471 173 W N 0.133 121.347 121.300 -0.143 0.000 3.047 173 W HA 0.577 5.265 4.660 0.046 0.000 0.341 173 W C -1.722 174.685 176.519 -0.186 0.000 1.225 173 W CA -0.965 56.299 57.345 -0.136 0.000 1.150 173 W CB 0.734 30.134 29.460 -0.099 0.000 1.470 173 W HN -0.121 nan 8.180 nan 0.000 0.578 174 K N 1.762 122.294 120.400 0.219 0.000 2.569 174 K HA 0.437 4.787 4.320 0.050 0.000 0.259 174 K C -1.461 175.210 176.600 0.118 0.000 0.932 174 K CA -0.553 55.775 56.287 0.069 0.000 0.833 174 K CB 2.316 34.742 32.500 -0.125 0.000 1.340 174 K HN 0.649 nan 8.250 nan 0.000 0.429 175 R N 2.628 123.188 120.500 0.100 0.000 2.673 175 R HA 0.349 4.719 4.340 0.050 0.000 0.281 175 R C -0.945 175.349 176.300 -0.010 0.000 0.991 175 R CA -0.770 55.326 56.100 -0.006 0.000 0.896 175 R CB 2.229 32.465 30.300 -0.106 0.000 1.201 175 R HN 0.730 nan 8.270 nan 0.000 0.457 176 E N 0.044 120.246 120.200 0.004 0.000 2.221 176 E HA 0.706 5.086 4.350 0.050 0.000 0.268 176 E C -0.221 176.446 176.600 0.112 0.000 0.933 176 E CA -0.797 55.620 56.400 0.027 0.000 0.809 176 E CB 2.398 32.121 29.700 0.037 0.000 1.190 176 E HN 0.746 nan 8.360 nan 0.000 0.406 177 G N 0.799 109.672 108.800 0.121 0.000 2.706 177 G HA2 0.629 4.618 3.960 0.050 0.000 0.307 177 G HA3 0.629 4.618 3.960 0.050 0.000 0.307 177 G C -1.752 173.385 174.900 0.396 0.000 1.307 177 G CA -0.721 44.546 45.100 0.278 0.000 0.790 177 G HN 0.404 nan 8.290 nan 0.000 0.503 178 F N -1.170 118.962 119.950 0.302 0.000 2.668 178 F HA 0.777 5.320 4.527 0.027 0.000 0.309 178 F C -0.494 175.529 175.800 0.373 0.000 1.117 178 F CA -1.764 56.461 58.000 0.375 0.000 0.951 178 F CB 0.873 39.982 39.000 0.182 0.000 1.323 178 F HN 0.683 nan 8.300 nan 0.000 0.451 179 I N 0.265 121.038 120.570 0.338 0.000 2.783 179 I HA 0.731 4.931 4.170 0.050 0.000 0.312 179 I C 0.060 176.322 176.117 0.242 0.000 0.988 179 I CA -0.940 60.385 61.300 0.041 0.000 1.182 179 I CB 1.828 39.727 38.000 -0.168 0.000 1.368 179 I HN 0.756 nan 8.210 nan 0.000 0.511 180 S N 1.503 117.290 115.700 0.146 0.000 2.531 180 S HA 0.058 4.558 4.470 0.050 0.000 0.279 180 S C 0.453 175.155 174.600 0.171 0.000 1.305 180 S CA -0.288 58.033 58.200 0.203 0.000 1.058 180 S CB 1.213 64.484 63.200 0.120 0.000 0.899 180 S HN 0.854 nan 8.310 nan 0.000 0.493 181 D N 1.472 121.974 120.400 0.171 0.000 2.127 181 D HA -0.285 4.385 4.640 0.050 0.000 0.190 181 D C 1.786 178.161 176.300 0.125 0.000 1.000 181 D CA 1.940 56.011 54.000 0.118 0.000 0.839 181 D CB -0.230 40.610 40.800 0.067 0.000 0.955 181 D HN 0.833 nan 8.370 nan 0.000 0.446 182 H N -0.085 119.008 119.070 0.038 0.000 2.319 182 H HA -0.116 4.448 4.556 0.014 0.000 0.297 182 H C 1.883 177.223 175.328 0.020 0.000 1.097 182 H CA 2.045 58.106 56.048 0.023 0.000 1.285 182 H CB -0.663 29.108 29.762 0.015 0.000 1.368 182 H HN 0.231 nan 8.280 nan 0.000 0.495 183 A N 0.719 123.662 122.820 0.205 0.000 1.930 183 A HA 0.010 4.360 4.320 0.050 0.000 0.217 183 A C 2.766 180.403 177.584 0.090 0.000 1.175 183 A CA 1.665 53.767 52.037 0.109 0.000 0.627 183 A CB -0.972 18.051 19.000 0.039 0.000 0.815 183 A HN 0.552 nan 8.150 nan 0.000 0.443 184 A N 0.463 123.337 122.820 0.089 0.000 1.883 184 A HA -0.216 4.134 4.320 0.050 0.000 0.217 184 A C 2.237 179.860 177.584 0.066 0.000 1.186 184 A CA 1.658 53.739 52.037 0.074 0.000 0.624 184 A CB -0.491 18.564 19.000 0.091 0.000 0.822 184 A HN 0.595 nan 8.150 nan 0.000 0.444 185 R N 0.070 120.610 120.500 0.066 0.000 2.148 185 R HA -0.047 4.323 4.340 0.050 0.000 0.223 185 R C 2.214 178.548 176.300 0.056 0.000 1.088 185 R CA 1.200 57.325 56.100 0.040 0.000 0.985 185 R CB -0.541 29.756 30.300 -0.005 0.000 0.880 185 R HN 0.623 nan 8.270 nan 0.000 0.451 186 S N 1.703 117.463 115.700 0.100 0.000 2.571 186 S HA -0.108 4.392 4.470 0.050 0.000 0.245 186 S C 0.444 175.079 174.600 0.059 0.000 0.976 186 S CA 0.445 58.704 58.200 0.098 0.000 0.954 186 S CB -0.395 62.877 63.200 0.120 0.000 0.756 186 S HN 0.248 nan 8.310 nan 0.000 0.535 187 K N 0.192 120.621 120.400 0.048 0.000 3.213 187 K HA -0.211 4.139 4.320 0.050 0.000 0.266 187 K C 0.990 177.610 176.600 0.033 0.000 0.911 187 K CA 0.371 56.680 56.287 0.037 0.000 0.684 187 K CB -1.909 30.610 32.500 0.031 0.000 1.402 187 K HN 0.913 nan 8.250 nan 0.000 0.465 188 G N -0.792 108.027 108.800 0.032 0.000 2.234 188 G HA2 -0.359 3.631 3.960 0.050 0.000 0.235 188 G HA3 -0.359 3.631 3.960 0.050 0.000 0.235 188 G C 0.894 175.813 174.900 0.032 0.000 0.997 188 G CA 0.531 45.647 45.100 0.026 0.000 0.623 188 G HN 0.397 nan 8.290 nan 0.000 0.514 189 K N 0.505 120.927 120.400 0.037 0.000 2.001 189 K HA 0.068 4.418 4.320 0.050 0.000 0.208 189 K C 0.996 177.618 176.600 0.037 0.000 1.048 189 K CA 1.227 57.538 56.287 0.040 0.000 0.932 189 K CB -0.049 32.474 32.500 0.039 0.000 0.715 189 K HN 0.599 nan 8.250 nan 0.000 0.437 190 E N 0.711 120.925 120.200 0.024 0.000 2.283 190 E HA 0.135 4.515 4.350 0.050 0.000 0.271 190 E C -0.843 175.759 176.600 0.003 0.000 1.031 190 E CA -0.379 56.018 56.400 -0.005 0.000 0.868 190 E CB 1.602 31.272 29.700 -0.050 0.000 1.094 190 E HN -0.086 nan 8.360 nan 0.000 0.401 191 T N 4.241 118.791 114.554 -0.007 0.000 2.780 191 T HA 0.197 4.577 4.350 0.050 0.000 0.294 191 T C -2.128 172.555 174.700 -0.029 0.000 0.949 191 T CA -1.370 60.727 62.100 -0.005 0.000 1.074 191 T CB 0.531 69.406 68.868 0.012 0.000 0.910 191 T HN 0.310 nan 8.240 nan 0.000 0.501 192 P HA 0.196 nan 4.420 nan 0.000 0.268 192 P C -0.625 176.644 177.300 -0.051 0.000 1.208 192 P CA -0.112 62.960 63.100 -0.046 0.000 0.777 192 P CB 0.628 32.275 31.700 -0.089 0.000 0.875 193 I N 1.532 122.079 120.570 -0.038 0.000 2.493 193 I HA 0.267 4.467 4.170 0.050 0.000 0.298 193 I C 0.880 176.974 176.117 -0.037 0.000 0.998 193 I CA -1.021 60.255 61.300 -0.039 0.000 1.137 193 I CB 1.468 39.450 38.000 -0.029 0.000 1.310 193 I HN 0.357 nan 8.210 nan 0.000 0.445 194 N N 5.364 124.042 118.700 -0.038 0.000 2.434 194 N HA 0.267 5.037 4.740 0.050 0.000 0.266 194 N C 0.105 175.628 175.510 0.022 0.000 1.223 194 N CA -0.658 52.384 53.050 -0.014 0.000 0.972 194 N CB 0.759 39.236 38.487 -0.017 0.000 1.207 194 N HN 0.607 nan 8.380 nan 0.000 0.525 195 L N -0.382 120.904 121.223 0.105 0.000 2.650 195 L HA 0.133 4.503 4.340 0.050 0.000 0.235 195 L C 1.000 177.892 176.870 0.037 0.000 1.149 195 L CA 0.336 55.250 54.840 0.124 0.000 0.887 195 L CB -0.436 41.726 42.059 0.172 0.000 1.021 195 L HN 0.509 nan 8.230 nan 0.000 0.441 196 L N -0.685 120.444 121.223 -0.156 0.000 2.607 196 L HA 0.255 4.625 4.340 0.050 0.000 0.228 196 L C 1.393 178.393 176.870 0.217 0.000 1.123 196 L CA 0.368 55.023 54.840 -0.309 0.000 0.890 196 L CB -0.052 41.419 42.059 -0.980 0.000 1.103 196 L HN 0.398 nan 8.230 nan 0.000 0.468 197 G N 0.210 109.082 108.800 0.121 0.000 2.137 197 G HA2 -0.294 3.696 3.960 0.050 0.000 0.237 197 G HA3 -0.294 3.696 3.960 0.050 0.000 0.237 197 G C -0.186 174.666 174.900 -0.079 0.000 1.002 197 G CA -0.307 44.833 45.100 0.067 0.000 0.702 197 G HN 0.166 nan 8.290 nan 0.000 0.515 198 F N 0.546 120.376 119.950 -0.201 0.000 2.495 198 F HA 0.575 5.130 4.527 0.047 0.000 0.327 198 F C 0.848 176.491 175.800 -0.262 0.000 1.103 198 F CA -1.056 56.765 58.000 -0.298 0.000 0.949 198 F CB 1.520 40.129 39.000 -0.652 0.000 1.142 198 F HN -0.066 nan 8.300 nan 0.000 0.457 199 K N 1.802 122.158 120.400 -0.073 0.000 2.527 199 K HA 0.082 4.432 4.320 0.050 0.000 0.278 199 K C -0.786 175.786 176.600 -0.047 0.000 0.981 199 K CA 0.545 56.796 56.287 -0.060 0.000 1.009 199 K CB 0.241 32.707 32.500 -0.056 0.000 0.895 199 K HN 0.431 nan 8.250 nan 0.000 0.493 200 D N 0.900 121.276 120.400 -0.041 0.000 2.616 200 D HA 0.344 5.014 4.640 0.050 0.000 0.238 200 D C 0.238 176.529 176.300 -0.016 0.000 1.354 200 D CA 0.228 54.209 54.000 -0.031 0.000 0.970 200 D CB 1.282 42.053 40.800 -0.048 0.000 1.369 200 D HN 0.602 nan 8.370 nan 0.000 0.585 201 G N 2.468 111.278 108.800 0.016 0.000 2.624 201 G HA2 -0.269 3.721 3.960 0.050 0.000 0.190 201 G HA3 -0.269 3.721 3.960 0.050 0.000 0.190 201 G C 1.269 176.191 174.900 0.037 0.000 1.008 201 G CA 0.464 45.571 45.100 0.013 0.000 0.731 201 G HN 0.499 nan 8.290 nan 0.000 0.478 202 T N 1.592 116.183 114.554 0.061 0.000 2.567 202 T HA -0.214 4.166 4.350 0.050 0.000 0.261 202 T C 2.416 177.166 174.700 0.083 0.000 1.123 202 T CA 3.067 65.229 62.100 0.104 0.000 1.166 202 T CB -0.552 68.391 68.868 0.125 0.000 0.860 202 T HN 1.427 nan 8.240 nan 0.000 0.436 203 A N 1.448 124.315 122.820 0.079 0.000 2.291 203 A HA 0.173 4.523 4.320 0.050 0.000 0.220 203 A C 0.743 178.349 177.584 0.037 0.000 1.262 203 A CA -0.316 51.757 52.037 0.061 0.000 0.867 203 A CB -0.451 18.596 19.000 0.077 0.000 0.888 203 A HN 0.322 nan 8.150 nan 0.000 0.487 204 N N 2.139 120.854 118.700 0.025 0.000 2.458 204 N HA 0.165 4.935 4.740 0.050 0.000 0.258 204 N C -2.507 172.998 175.510 -0.009 0.000 1.219 204 N CA -1.170 51.886 53.050 0.009 0.000 0.902 204 N CB 0.467 38.953 38.487 -0.003 0.000 1.076 204 N HN 0.255 nan 8.380 nan 0.000 0.455 205 P HA -0.022 nan 4.420 nan 0.000 0.269 205 P C -0.426 176.855 177.300 -0.032 0.000 1.209 205 P CA -0.236 62.852 63.100 -0.019 0.000 0.776 205 P CB 0.484 32.174 31.700 -0.017 0.000 0.876 206 D N 1.342 121.721 120.400 -0.035 0.000 2.472 206 D HA -0.053 4.617 4.640 0.050 0.000 0.248 206 D C 1.291 177.573 176.300 -0.031 0.000 1.174 206 D CA 0.383 54.361 54.000 -0.038 0.000 0.883 206 D CB 0.458 41.237 40.800 -0.036 0.000 1.149 206 D HN 0.247 nan 8.370 nan 0.000 0.488 207 S N 3.262 118.944 115.700 -0.030 0.000 2.496 207 S HA -0.119 4.381 4.470 0.050 0.000 0.224 207 S C 1.388 175.989 174.600 0.001 0.000 0.996 207 S CA 0.294 58.477 58.200 -0.029 0.000 0.927 207 S CB -0.081 63.099 63.200 -0.033 0.000 0.774 207 S HN 0.554 nan 8.310 nan 0.000 0.524 208 Q N 1.550 121.353 119.800 0.005 0.000 2.172 208 Q HA 0.098 4.468 4.340 0.050 0.000 0.200 208 Q C 0.563 176.581 176.000 0.030 0.000 0.964 208 Q CA 0.399 56.214 55.803 0.021 0.000 0.855 208 Q CB -0.690 28.054 28.738 0.009 0.000 0.918 208 Q HN 0.564 nan 8.270 nan 0.000 0.444 209 N N 2.800 121.511 118.700 0.019 0.000 2.406 209 N HA -0.064 4.705 4.740 0.050 0.000 0.269 209 N C -0.073 175.467 175.510 0.049 0.000 1.210 209 N CA 0.185 53.250 53.050 0.025 0.000 0.966 209 N CB 0.564 39.057 38.487 0.009 0.000 1.293 209 N HN 0.035 nan 8.380 nan 0.000 0.491 210 D N 2.780 123.222 120.400 0.070 0.000 2.123 210 D HA -0.207 4.463 4.640 0.050 0.000 0.196 210 D C 1.387 177.756 176.300 0.115 0.000 0.992 210 D CA 1.305 55.373 54.000 0.114 0.000 0.833 210 D CB 0.282 41.143 40.800 0.101 0.000 0.954 210 D HN 0.461 nan 8.370 nan 0.000 0.455 211 K N 0.648 121.091 120.400 0.071 0.000 2.097 211 K HA -0.077 4.273 4.320 0.050 0.000 0.205 211 K C 1.960 178.587 176.600 0.047 0.000 1.050 211 K CA 0.409 56.731 56.287 0.058 0.000 0.938 211 K CB -0.457 32.065 32.500 0.035 0.000 0.718 211 K HN 0.049 nan 8.250 nan 0.000 0.442 212 L N -0.008 121.234 121.223 0.031 0.000 2.156 212 L HA 0.017 4.387 4.340 0.050 0.000 0.208 212 L C 1.717 178.583 176.870 -0.007 0.000 1.095 212 L CA 1.375 56.219 54.840 0.007 0.000 0.770 212 L CB -0.229 41.828 42.059 -0.003 0.000 0.914 212 L HN 0.203 nan 8.230 nan 0.000 0.439 213 M N -1.270 118.338 119.600 0.014 0.000 2.394 213 M HA -0.097 4.413 4.480 0.050 0.000 0.264 213 M C 2.077 178.397 176.300 0.033 0.000 1.073 213 M CA 1.199 56.462 55.300 -0.062 0.000 1.111 213 M CB -0.864 31.701 32.600 -0.059 0.000 1.401 213 M HN 0.414 nan 8.290 nan 0.000 0.448 214 Q N -0.016 119.894 119.800 0.183 0.000 2.172 214 Q HA -0.111 4.259 4.340 0.050 0.000 0.200 214 Q C 1.888 177.919 176.000 0.051 0.000 0.964 214 Q CA 1.025 56.960 55.803 0.219 0.000 0.855 214 Q CB 0.060 28.905 28.738 0.179 0.000 0.918 214 Q HN 0.516 nan 8.270 nan 0.000 0.444 215 K N -0.352 120.030 120.400 -0.030 0.000 2.186 215 K HA -0.015 4.335 4.320 0.050 0.000 0.202 215 K C 1.874 178.309 176.600 -0.275 0.000 1.052 215 K CA 0.759 56.953 56.287 -0.154 0.000 0.965 215 K CB 0.428 32.872 32.500 -0.093 0.000 0.746 215 K HN -0.001 nan 8.250 nan 0.000 0.457 216 V N -0.117 119.733 119.914 -0.107 0.000 2.521 216 V HA -0.076 4.073 4.120 0.050 0.000 0.239 216 V C 1.876 178.039 176.094 0.114 0.000 1.053 216 V CA 0.869 63.180 62.300 0.018 0.000 1.073 216 V CB 0.593 32.411 31.823 -0.008 0.000 0.746 216 V HN -0.031 nan 8.190 nan 0.000 0.476 217 V N -2.320 117.520 119.914 -0.123 0.000 2.690 217 V HA 0.090 4.240 4.120 0.050 0.000 0.240 217 V C 0.572 176.529 176.094 -0.228 0.000 1.078 217 V CA 0.248 62.358 62.300 -0.317 0.000 1.102 217 V CB -0.021 31.301 31.823 -0.835 0.000 0.800 217 V HN 0.521 nan 8.190 nan 0.000 0.479 218 W N 0.189 121.503 121.300 0.023 0.000 2.316 218 W HA 0.494 5.184 4.660 0.049 0.000 0.311 218 W C -0.173 176.421 176.519 0.125 0.000 1.217 218 W CA -0.917 56.435 57.345 0.011 0.000 1.199 218 W CB 0.792 30.222 29.460 -0.049 0.000 1.202 218 W HN -0.165 nan 8.180 nan 0.000 0.528 219 V N 3.953 124.129 119.914 0.436 0.000 2.540 219 V HA 0.030 4.180 4.120 0.050 0.000 0.297 219 V C 0.658 176.906 176.094 0.256 0.000 1.024 219 V CA 0.182 62.686 62.300 0.340 0.000 1.105 219 V CB -0.527 31.486 31.823 0.317 0.000 0.938 219 V HN 0.617 nan 8.190 nan 0.000 0.482 220 T N 2.171 116.845 114.554 0.199 0.000 2.918 220 T HA 0.647 5.027 4.350 0.050 0.000 0.286 220 T C 1.075 175.827 174.700 0.086 0.000 1.026 220 T CA -0.167 62.011 62.100 0.130 0.000 1.031 220 T CB 1.975 70.907 68.868 0.106 0.000 1.046 220 T HN 0.654 nan 8.240 nan 0.000 0.479 221 A N 1.270 124.125 122.820 0.058 0.000 2.024 221 A HA -0.101 4.249 4.320 0.050 0.000 0.220 221 A C 1.924 179.531 177.584 0.038 0.000 1.164 221 A CA 1.577 53.637 52.037 0.038 0.000 0.643 221 A CB -0.934 18.082 19.000 0.026 0.000 0.806 221 A HN 0.994 nan 8.150 nan 0.000 0.451 222 D N -0.401 120.025 120.400 0.043 0.000 2.392 222 D HA -0.102 4.568 4.640 0.050 0.000 0.228 222 D C 0.317 176.648 176.300 0.051 0.000 1.003 222 D CA 0.319 54.343 54.000 0.041 0.000 0.917 222 D CB -0.129 40.693 40.800 0.036 0.000 0.890 222 D HN 0.590 nan 8.370 nan 0.000 0.532 223 Q N 0.168 120.006 119.800 0.063 0.000 2.245 223 Q HA 0.153 4.523 4.340 0.050 0.000 0.256 223 Q C 0.700 176.730 176.000 0.049 0.000 0.942 223 Q CA -0.731 55.119 55.803 0.078 0.000 0.896 223 Q CB 1.676 30.489 28.738 0.124 0.000 1.272 223 Q HN -0.024 nan 8.270 nan 0.000 0.442 224 Q N 0.741 120.570 119.800 0.047 0.000 2.576 224 Q HA -0.087 4.283 4.340 0.050 0.000 0.218 224 Q C -0.200 175.806 176.000 0.009 0.000 0.983 224 Q CA 0.914 56.734 55.803 0.029 0.000 0.920 224 Q CB 0.049 28.804 28.738 0.029 0.000 0.973 224 Q HN 0.509 nan 8.270 nan 0.000 0.528 225 E N 1.100 121.295 120.200 -0.008 0.000 2.392 225 E HA 0.172 4.552 4.350 0.050 0.000 0.256 225 E C -2.143 174.395 176.600 -0.103 0.000 1.145 225 E CA -1.916 54.434 56.400 -0.084 0.000 0.929 225 E CB -0.349 29.255 29.700 -0.160 0.000 0.998 225 E HN 0.002 nan 8.360 nan 0.000 0.442 226 P HA 0.022 nan 4.420 nan 0.000 0.271 226 P C 0.099 177.301 177.300 -0.163 0.000 1.216 226 P CA 0.200 63.253 63.100 -0.078 0.000 0.776 226 P CB 0.570 32.300 31.700 0.050 0.000 0.881 227 A N 4.158 126.976 122.820 -0.004 0.000 2.186 227 A HA -0.141 4.208 4.320 0.050 0.000 0.219 227 A C 1.658 179.277 177.584 0.058 0.000 1.159 227 A CA 0.882 52.928 52.037 0.014 0.000 0.680 227 A CB -1.271 17.764 19.000 0.059 0.000 0.787 227 A HN 0.831 nan 8.150 nan 0.000 0.467 228 W N 0.417 121.736 121.300 0.031 0.000 2.436 228 W HA -0.129 4.560 4.660 0.049 0.000 0.284 228 W C 1.626 178.185 176.519 0.067 0.000 1.225 228 W CA 1.608 58.978 57.345 0.042 0.000 1.271 228 W CB -1.577 27.916 29.460 0.055 0.000 1.114 228 W HN 0.441 nan 8.180 nan 0.000 0.559 229 T N 0.772 114.869 114.554 -0.761 0.000 2.803 229 T HA -0.127 4.252 4.350 0.050 0.000 0.269 229 T C 1.207 175.855 174.700 -0.086 0.000 1.052 229 T CA 0.777 62.462 62.100 -0.692 0.000 1.136 229 T CB -1.013 67.256 68.868 -0.999 0.000 0.864 229 T HN 0.109 nan 8.240 nan 0.000 0.467 230 I N 2.684 123.222 120.570 -0.053 0.000 3.045 230 I HA 0.195 4.395 4.170 0.050 0.000 0.306 230 I C 1.702 177.862 176.117 0.073 0.000 1.232 230 I CA 1.438 62.763 61.300 0.041 0.000 1.415 230 I CB -0.480 37.532 38.000 0.019 0.000 1.364 230 I HN 0.636 nan 8.210 nan 0.000 0.538 231 G N 3.860 112.744 108.800 0.140 0.000 2.195 231 G HA2 -0.163 3.827 3.960 0.050 0.000 0.224 231 G HA3 -0.163 3.827 3.960 0.050 0.000 0.224 231 G C 0.491 175.552 174.900 0.269 0.000 0.990 231 G CA -0.220 44.956 45.100 0.126 0.000 0.639 231 G HN 0.982 nan 8.290 nan 0.000 0.514 232 G N -0.624 108.352 108.800 0.294 0.000 2.509 232 G HA2 0.703 4.693 3.960 0.050 0.000 0.269 232 G HA3 0.703 4.693 3.960 0.050 0.000 0.269 232 G C 0.009 174.994 174.900 0.142 0.000 1.416 232 G CA 0.667 45.906 45.100 0.231 0.000 1.052 232 G HN 1.577 nan 8.290 nan 0.000 0.542 233 S N -2.118 113.307 115.700 -0.458 0.000 2.563 233 S HA 0.412 4.912 4.470 0.050 0.000 0.279 233 S C -1.589 172.606 174.600 -0.676 0.000 1.155 233 S CA -0.725 57.278 58.200 -0.329 0.000 0.928 233 S CB 0.453 63.613 63.200 -0.066 0.000 1.107 233 S HN 0.421 nan 8.310 nan 0.000 0.462 234 Y N 3.006 123.118 120.300 -0.313 0.000 2.511 234 Y HA 0.328 4.907 4.550 0.048 0.000 0.332 234 Y C 0.913 176.795 175.900 -0.029 0.000 1.177 234 Y CA 0.680 58.727 58.100 -0.089 0.000 1.422 234 Y CB 0.652 39.172 38.460 0.100 0.000 1.271 234 Y HN 0.671 nan 8.280 nan 0.000 0.550 235 Q N 3.012 122.929 119.800 0.195 0.000 2.309 235 Q HA 0.709 5.079 4.340 0.050 0.000 0.270 235 Q C -1.710 174.352 176.000 0.103 0.000 1.023 235 Q CA -0.883 54.939 55.803 0.031 0.000 0.758 235 Q CB 1.308 30.089 28.738 0.071 0.000 1.247 235 Q HN 0.784 nan 8.270 nan 0.000 0.455 236 A N 3.376 126.153 122.820 -0.070 0.000 2.305 236 A HA 0.747 5.097 4.320 0.050 0.000 0.322 236 A C -1.008 176.565 177.584 -0.019 0.000 1.187 236 A CA -0.467 51.494 52.037 -0.126 0.000 0.825 236 A CB 1.433 20.024 19.000 -0.683 0.000 1.164 236 A HN 0.510 nan 8.150 nan 0.000 0.498 237 V N 3.468 123.449 119.914 0.111 0.000 2.686 237 V HA 0.639 4.789 4.120 0.050 0.000 0.306 237 V C -0.652 175.529 176.094 0.146 0.000 1.065 237 V CA -0.785 61.639 62.300 0.207 0.000 0.894 237 V CB 1.864 33.894 31.823 0.345 0.000 1.004 237 V HN 0.925 nan 8.190 nan 0.000 0.424 238 R N 3.959 124.569 120.500 0.182 0.000 2.515 238 R HA 0.497 4.867 4.340 0.050 0.000 0.291 238 R C -1.848 174.503 176.300 0.085 0.000 1.046 238 R CA -0.794 55.361 56.100 0.091 0.000 0.914 238 R CB 2.240 32.581 30.300 0.068 0.000 1.191 238 R HN 0.472 nan 8.270 nan 0.000 0.435 239 L N 4.809 126.006 121.223 -0.044 0.000 2.261 239 L HA 0.468 4.838 4.340 0.050 0.000 0.289 239 L C 0.057 176.923 176.870 -0.006 0.000 1.059 239 L CA 0.181 54.978 54.840 -0.073 0.000 0.816 239 L CB 0.549 42.448 42.059 -0.267 0.000 1.191 239 L HN 0.470 nan 8.230 nan 0.000 0.431 240 I N 3.244 123.861 120.570 0.078 0.000 2.411 240 I HA 0.300 4.500 4.170 0.050 0.000 0.284 240 I C 0.124 176.235 176.117 -0.009 0.000 1.012 240 I CA -0.548 60.797 61.300 0.075 0.000 1.119 240 I CB 1.311 39.392 38.000 0.135 0.000 1.261 240 I HN 0.543 nan 8.210 nan 0.000 0.448 241 Q N 4.093 123.912 119.800 0.032 0.000 2.394 241 Q HA 0.387 4.757 4.340 0.050 0.000 0.248 241 Q C -1.282 174.774 176.000 0.093 0.000 0.992 241 Q CA -0.075 55.712 55.803 -0.028 0.000 0.888 241 Q CB 1.171 29.951 28.738 0.070 0.000 1.257 241 Q HN 0.353 nan 8.270 nan 0.000 0.462 242 F N 0.892 120.831 119.950 -0.019 0.000 2.480 242 F HA 0.376 4.929 4.527 0.044 0.000 0.329 242 F C 0.457 176.297 175.800 0.065 0.000 1.091 242 F CA -0.993 56.997 58.000 -0.017 0.000 0.972 242 F CB 1.052 39.982 39.000 -0.116 0.000 1.150 242 F HN 0.282 nan 8.300 nan 0.000 0.467 243 R N 2.069 122.784 120.500 0.358 0.000 2.609 243 R HA 0.170 4.539 4.340 0.050 0.000 0.271 243 R C 0.826 177.379 176.300 0.423 0.000 1.403 243 R CA -0.051 56.265 56.100 0.359 0.000 1.138 243 R CB 0.407 30.955 30.300 0.413 0.000 1.142 243 R HN 0.609 nan 8.270 nan 0.000 0.559 244 V N 2.599 122.707 119.914 0.325 0.000 2.407 244 V HA -0.193 3.956 4.120 0.050 0.000 0.245 244 V C 1.399 177.687 176.094 0.323 0.000 1.041 244 V CA 1.791 64.277 62.300 0.310 0.000 1.040 244 V CB 0.218 32.178 31.823 0.229 0.000 0.671 244 V HN 0.593 nan 8.190 nan 0.000 0.455 245 E N -0.246 120.120 120.200 0.276 0.000 2.072 245 E HA -0.213 4.167 4.350 0.050 0.000 0.191 245 E C 1.872 178.652 176.600 0.300 0.000 0.985 245 E CA 1.563 58.107 56.400 0.240 0.000 0.801 245 E CB -0.426 29.391 29.700 0.195 0.000 0.750 245 E HN 0.614 nan 8.360 nan 0.000 0.452 246 F N 0.587 120.662 119.950 0.209 0.000 2.134 246 F HA -0.186 4.371 4.527 0.050 0.000 0.299 246 F C 1.952 177.944 175.800 0.319 0.000 1.097 246 F CA 1.340 59.483 58.000 0.240 0.000 1.264 246 F CB -0.282 38.864 39.000 0.243 0.000 1.001 246 F HN 0.179 nan 8.300 nan 0.000 0.479 247 W N 1.376 122.728 121.300 0.087 0.000 2.355 247 W HA -0.225 4.465 4.660 0.051 0.000 0.309 247 W C 1.590 178.023 176.519 -0.145 0.000 1.206 247 W CA 1.836 59.081 57.345 -0.167 0.000 1.284 247 W CB -0.639 28.743 29.460 -0.130 0.000 1.145 247 W HN -0.022 nan 8.180 nan 0.000 0.502 248 D N 0.019 120.485 120.400 0.111 0.000 2.311 248 D HA -0.146 4.524 4.640 0.050 0.000 0.212 248 D C 2.050 178.285 176.300 -0.108 0.000 0.972 248 D CA 1.143 55.146 54.000 0.004 0.000 0.887 248 D CB -0.303 40.562 40.800 0.107 0.000 0.915 248 D HN 0.230 nan 8.370 nan 0.000 0.497 249 R N -0.710 119.713 120.500 -0.129 0.000 2.290 249 R HA 0.118 4.488 4.340 0.050 0.000 0.197 249 R C 0.186 176.333 176.300 -0.254 0.000 0.913 249 R CA 0.185 56.207 56.100 -0.131 0.000 1.040 249 R CB 0.544 30.825 30.300 -0.032 0.000 0.992 249 R HN -0.048 nan 8.270 nan 0.000 0.500 250 T N 2.936 117.228 114.554 -0.436 0.000 2.832 250 T HA 0.212 4.592 4.350 0.050 0.000 0.296 250 T C -2.442 171.993 174.700 -0.443 0.000 0.968 250 T CA -1.362 60.434 62.100 -0.508 0.000 1.107 250 T CB 1.488 69.890 68.868 -0.776 0.000 0.916 250 T HN -0.082 nan 8.240 nan 0.000 0.517 251 P HA -0.036 nan 4.420 nan 0.000 0.264 251 P C 0.851 178.005 177.300 -0.243 0.000 1.173 251 P CA -0.169 62.803 63.100 -0.214 0.000 0.761 251 P CB 0.425 32.036 31.700 -0.149 0.000 0.794 252 L N 5.083 126.203 121.223 -0.173 0.000 2.017 252 L HA -0.181 4.189 4.340 0.050 0.000 0.208 252 L C 2.265 179.089 176.870 -0.076 0.000 1.073 252 L CA 1.992 56.754 54.840 -0.130 0.000 0.745 252 L CB -1.003 41.002 42.059 -0.090 0.000 0.894 252 L HN 0.298 nan 8.230 nan 0.000 0.432 253 K N -0.445 119.915 120.400 -0.067 0.000 2.059 253 K HA -0.308 4.042 4.320 0.050 0.000 0.212 253 K C 2.188 178.761 176.600 -0.045 0.000 1.050 253 K CA 2.309 58.573 56.287 -0.038 0.000 0.927 253 K CB -0.325 32.151 32.500 -0.040 0.000 0.714 253 K HN 0.581 nan 8.250 nan 0.000 0.447 254 E N -0.105 120.035 120.200 -0.101 0.000 2.107 254 E HA -0.191 4.189 4.350 0.050 0.000 0.191 254 E C 2.115 178.620 176.600 -0.158 0.000 0.982 254 E CA 1.035 57.363 56.400 -0.119 0.000 0.809 254 E CB 0.111 29.723 29.700 -0.148 0.000 0.756 254 E HN 0.439 nan 8.360 nan 0.000 0.459 255 Q N 0.101 119.753 119.800 -0.247 0.000 2.061 255 Q HA -0.229 4.140 4.340 0.050 0.000 0.204 255 Q C 2.323 178.425 176.000 0.170 0.000 0.984 255 Q CA 1.690 57.377 55.803 -0.193 0.000 0.846 255 Q CB -0.106 28.509 28.738 -0.204 0.000 0.902 255 Q HN 0.390 nan 8.270 nan 0.000 0.421 256 Q N -0.099 119.864 119.800 0.271 0.000 2.016 256 Q HA -0.122 4.247 4.340 0.050 0.000 0.200 256 Q C 2.248 178.357 176.000 0.181 0.000 0.978 256 Q CA 1.671 57.685 55.803 0.351 0.000 0.833 256 Q CB -0.395 28.502 28.738 0.264 0.000 0.895 256 Q HN 0.357 nan 8.270 nan 0.000 0.427 257 T N 2.162 116.769 114.554 0.087 0.000 2.620 257 T HA -0.216 4.164 4.350 0.050 0.000 0.267 257 T C 1.965 176.672 174.700 0.011 0.000 1.044 257 T CA 1.567 63.693 62.100 0.043 0.000 1.161 257 T CB -0.404 68.470 68.868 0.010 0.000 0.862 257 T HN 0.197 nan 8.240 nan 0.000 0.438 258 I N -0.390 120.155 120.570 -0.042 0.000 2.194 258 I HA -0.182 4.018 4.170 0.050 0.000 0.246 258 I C 1.979 177.945 176.117 -0.251 0.000 1.093 258 I CA 1.559 62.767 61.300 -0.155 0.000 1.355 258 I CB -0.255 37.612 38.000 -0.223 0.000 1.046 258 I HN 0.173 nan 8.210 nan 0.000 0.413 259 F N 0.007 119.889 119.950 -0.113 0.000 2.317 259 F HA 0.195 4.758 4.527 0.059 0.000 0.293 259 F C 1.980 177.790 175.800 0.016 0.000 1.085 259 F CA 0.954 58.877 58.000 -0.128 0.000 1.390 259 F CB -0.413 38.336 39.000 -0.418 0.000 1.077 259 F HN 0.150 nan 8.300 nan 0.000 0.517 260 G N 0.787 109.719 108.800 0.220 0.000 2.136 260 G HA2 -0.251 3.739 3.960 0.050 0.000 0.242 260 G HA3 -0.251 3.739 3.960 0.050 0.000 0.242 260 G C 0.315 175.346 174.900 0.219 0.000 0.989 260 G CA -0.211 45.005 45.100 0.192 0.000 0.682 260 G HN 0.285 nan 8.290 nan 0.000 0.522 261 R N -0.380 120.291 120.500 0.284 0.000 2.854 261 R HA 0.452 4.822 4.340 0.050 0.000 0.271 261 R C -1.272 175.203 176.300 0.291 0.000 0.994 261 R CA -0.914 55.343 56.100 0.261 0.000 0.945 261 R CB 1.331 31.791 30.300 0.267 0.000 1.194 261 R HN 0.209 nan 8.270 nan 0.000 0.476 262 D N 1.040 121.524 120.400 0.139 0.000 2.317 262 D HA 0.044 4.714 4.640 0.050 0.000 0.252 262 D C 1.037 177.292 176.300 -0.076 0.000 1.174 262 D CA 0.115 54.143 54.000 0.048 0.000 0.866 262 D CB 1.161 41.954 40.800 -0.011 0.000 1.127 262 D HN 0.318 nan 8.370 nan 0.000 0.467 263 K N 2.255 122.509 120.400 -0.243 0.000 2.026 263 K HA -0.198 4.152 4.320 0.050 0.000 0.208 263 K C 1.556 177.883 176.600 -0.455 0.000 1.048 263 K CA 1.367 57.204 56.287 -0.750 0.000 0.929 263 K CB 0.181 32.188 32.500 -0.820 0.000 0.713 263 K HN 0.590 nan 8.250 nan 0.000 0.439 264 Q N -0.652 118.988 119.800 -0.267 0.000 2.049 264 Q HA -0.117 4.252 4.340 0.050 0.000 0.198 264 Q C 2.221 178.128 176.000 -0.156 0.000 0.971 264 Q CA 2.029 57.717 55.803 -0.190 0.000 0.833 264 Q CB -0.138 28.520 28.738 -0.133 0.000 0.896 264 Q HN 0.534 nan 8.270 nan 0.000 0.434 265 T N -3.456 111.022 114.554 -0.127 0.000 2.937 265 T HA 0.165 4.545 4.350 0.050 0.000 0.260 265 T C 1.533 176.174 174.700 -0.099 0.000 1.051 265 T CA 0.996 63.036 62.100 -0.100 0.000 1.141 265 T CB 0.167 68.988 68.868 -0.078 0.000 0.879 265 T HN 0.487 nan 8.240 nan 0.000 0.459 266 G N 1.535 110.282 108.800 -0.089 0.000 2.176 266 G HA2 -0.025 3.965 3.960 0.050 0.000 0.253 266 G HA3 -0.025 3.965 3.960 0.050 0.000 0.253 266 G C 0.293 175.187 174.900 -0.011 0.000 0.979 266 G CA 0.073 45.145 45.100 -0.048 0.000 0.641 266 G HN 1.188 nan 8.290 nan 0.000 0.530 267 A N 0.535 123.342 122.820 -0.022 0.000 2.351 267 A HA 0.712 5.062 4.320 0.050 0.000 0.257 267 A C -1.693 175.907 177.584 0.027 0.000 1.087 267 A CA -0.917 51.113 52.037 -0.011 0.000 0.798 267 A CB 0.368 19.334 19.000 -0.056 0.000 1.033 267 A HN 0.154 nan 8.150 nan 0.000 0.488 268 P HA 0.141 nan 4.420 nan 0.000 0.268 268 P C -0.480 176.843 177.300 0.037 0.000 1.204 268 P CA 0.122 63.254 63.100 0.053 0.000 0.768 268 P CB 0.249 31.965 31.700 0.026 0.000 0.842 269 L N 2.667 123.930 121.223 0.067 0.000 2.578 269 L HA 0.088 4.458 4.340 0.050 0.000 0.279 269 L C 1.809 178.693 176.870 0.022 0.000 1.227 269 L CA 1.445 56.315 54.840 0.049 0.000 0.900 269 L CB -0.733 41.369 42.059 0.072 0.000 1.144 269 L HN 0.831 nan 8.230 nan 0.000 0.496 270 G N 2.366 111.166 108.800 0.000 0.000 2.345 270 G HA2 -0.246 3.743 3.960 0.050 0.000 0.218 270 G HA3 -0.246 3.743 3.960 0.050 0.000 0.218 270 G C 0.117 174.991 174.900 -0.043 0.000 1.058 270 G CA -0.027 45.064 45.100 -0.015 0.000 0.632 270 G HN 0.442 nan 8.290 nan 0.000 0.508 271 M N -0.306 119.261 119.600 -0.055 0.000 2.679 271 M HA 0.607 5.116 4.480 0.050 0.000 0.287 271 M C 1.120 177.322 176.300 -0.164 0.000 1.202 271 M CA -0.578 54.658 55.300 -0.106 0.000 0.911 271 M CB 1.381 33.929 32.600 -0.087 0.000 1.556 271 M HN -0.019 nan 8.290 nan 0.000 0.511 272 Q N -0.519 119.087 119.800 -0.324 0.000 2.245 272 Q HA 0.214 4.584 4.340 0.050 0.000 0.236 272 Q C -0.668 175.048 176.000 -0.473 0.000 0.842 272 Q CA 0.576 56.114 55.803 -0.442 0.000 0.945 272 Q CB 0.738 29.168 28.738 -0.513 0.000 1.122 272 Q HN 0.676 nan 8.270 nan 0.000 0.506 273 H N -0.593 118.450 119.070 -0.045 0.000 2.538 273 H HA 0.221 4.806 4.556 0.048 0.000 0.353 273 H C 0.595 175.864 175.328 -0.099 0.000 1.109 273 H CA -0.503 55.499 56.048 -0.077 0.000 1.192 273 H CB 1.987 31.713 29.762 -0.060 0.000 1.555 273 H HN -0.082 nan 8.280 nan 0.000 0.518 274 E N 1.318 121.477 120.200 -0.068 0.000 2.114 274 E HA -0.256 4.124 4.350 0.050 0.000 0.199 274 E C 0.428 176.975 176.600 -0.087 0.000 1.008 274 E CA 1.355 57.663 56.400 -0.154 0.000 0.810 274 E CB 0.106 29.625 29.700 -0.303 0.000 0.739 274 E HN 0.668 nan 8.360 nan 0.000 0.456 275 H N 0.468 119.574 119.070 0.060 0.000 2.538 275 H HA 0.163 4.744 4.556 0.042 0.000 0.286 275 H C -0.205 175.153 175.328 0.051 0.000 1.035 275 H CA -0.054 56.019 56.048 0.042 0.000 1.169 275 H CB -0.353 29.423 29.762 0.022 0.000 1.417 275 H HN 0.072 nan 8.280 nan 0.000 0.567 276 D N 0.824 121.306 120.400 0.137 0.000 2.382 276 D HA 0.086 4.756 4.640 0.050 0.000 0.240 276 D C 0.140 176.471 176.300 0.050 0.000 1.146 276 D CA 0.031 54.086 54.000 0.093 0.000 0.897 276 D CB 1.885 42.714 40.800 0.047 0.000 1.197 276 D HN -0.099 nan 8.370 nan 0.000 0.432 277 V N 4.045 123.967 119.914 0.014 0.000 2.495 277 V HA 0.337 4.486 4.120 0.050 0.000 0.298 277 V C -1.991 174.045 176.094 -0.097 0.000 1.031 277 V CA -1.368 60.914 62.300 -0.031 0.000 0.871 277 V CB 1.913 33.719 31.823 -0.028 0.000 0.988 277 V HN 0.502 nan 8.190 nan 0.000 0.432 278 P HA 0.367 nan 4.420 nan 0.000 0.276 278 P C -1.376 175.664 177.300 -0.433 0.000 1.244 278 P CA -0.341 62.579 63.100 -0.300 0.000 0.801 278 P CB 0.952 32.410 31.700 -0.404 0.000 1.006 279 D N -0.485 119.707 120.400 -0.346 0.000 2.471 279 D HA 0.193 4.862 4.640 0.050 0.000 0.245 279 D C -0.137 176.030 176.300 -0.221 0.000 1.116 279 D CA -0.659 53.167 54.000 -0.290 0.000 0.853 279 D CB 0.509 41.234 40.800 -0.125 0.000 1.123 279 D HN 0.135 nan 8.370 nan 0.000 0.540 280 Y N 2.887 123.190 120.300 0.006 0.000 2.395 280 Y HA 0.133 4.713 4.550 0.048 0.000 0.293 280 Y C 2.593 178.494 175.900 0.001 0.000 1.123 280 Y CA 0.551 58.653 58.100 0.004 0.000 1.227 280 Y CB -0.656 37.804 38.460 0.001 0.000 1.012 280 Y HN 0.642 nan 8.280 nan 0.000 0.552 281 A N -0.219 122.672 122.820 0.119 0.000 1.971 281 A HA -0.257 4.093 4.320 0.050 0.000 0.222 281 A C 2.342 179.955 177.584 0.048 0.000 1.182 281 A CA 2.397 54.474 52.037 0.067 0.000 0.649 281 A CB -0.957 18.063 19.000 0.035 0.000 0.818 281 A HN 0.409 nan 8.150 nan 0.000 0.458 282 S N -1.229 114.494 115.700 0.038 0.000 2.496 282 S HA -0.004 4.496 4.470 0.050 0.000 0.224 282 S C 0.861 175.486 174.600 0.041 0.000 0.996 282 S CA 0.819 59.036 58.200 0.028 0.000 0.927 282 S CB -0.014 63.192 63.200 0.010 0.000 0.774 282 S HN 0.619 nan 8.310 nan 0.000 0.524 283 D N 0.822 121.265 120.400 0.071 0.000 2.980 283 D HA 0.261 4.931 4.640 0.050 0.000 0.333 283 D C -2.107 174.237 176.300 0.073 0.000 1.356 283 D CA -2.032 52.015 54.000 0.078 0.000 0.847 283 D CB 0.403 41.273 40.800 0.117 0.000 1.122 283 D HN 0.112 nan 8.370 nan 0.000 0.475 284 P HA -0.011 nan 4.420 nan 0.000 0.225 284 P C 1.073 178.383 177.300 0.016 0.000 1.156 284 P CA 0.569 63.690 63.100 0.035 0.000 0.787 284 P CB 0.394 32.110 31.700 0.027 0.000 0.802 285 E N -0.406 119.804 120.200 0.017 0.000 2.478 285 E HA 0.049 4.429 4.350 0.050 0.000 0.198 285 E C 0.796 177.400 176.600 0.006 0.000 1.046 285 E CA 0.420 56.825 56.400 0.008 0.000 0.870 285 E CB -0.637 29.068 29.700 0.008 0.000 0.818 285 E HN 0.190 nan 8.360 nan 0.000 0.527 286 G N 2.139 110.949 108.800 0.016 0.000 2.298 286 G HA2 -0.308 3.682 3.960 0.050 0.000 0.287 286 G HA3 -0.308 3.682 3.960 0.050 0.000 0.287 286 G C 0.569 175.482 174.900 0.022 0.000 1.075 286 G CA 0.574 45.683 45.100 0.016 0.000 0.960 286 G HN 0.224 nan 8.290 nan 0.000 0.502 287 K N -1.185 119.233 120.400 0.030 0.000 2.334 287 K HA 0.233 4.583 4.320 0.050 0.000 0.195 287 K C 2.223 178.842 176.600 0.031 0.000 1.045 287 K CA 1.058 57.360 56.287 0.024 0.000 1.004 287 K CB 0.394 32.905 32.500 0.018 0.000 0.837 287 K HN 0.404 nan 8.250 nan 0.000 0.510 288 V N 0.908 120.850 119.914 0.047 0.000 2.484 288 V HA 0.089 4.239 4.120 0.050 0.000 0.236 288 V C 1.077 177.214 176.094 0.072 0.000 1.062 288 V CA 0.497 62.828 62.300 0.052 0.000 1.081 288 V CB 0.141 31.994 31.823 0.050 0.000 0.751 288 V HN 0.053 nan 8.190 nan 0.000 0.484 289 I N 1.312 121.947 120.570 0.110 0.000 2.321 289 I HA 0.544 4.743 4.170 0.050 0.000 0.291 289 I C 0.408 176.566 176.117 0.070 0.000 0.998 289 I CA -0.311 61.068 61.300 0.132 0.000 1.227 289 I CB 1.268 39.431 38.000 0.271 0.000 1.368 289 I HN 0.231 nan 8.210 nan 0.000 0.466 290 A N 6.748 129.587 122.820 0.032 0.000 2.425 290 A HA 0.329 4.679 4.320 0.050 0.000 0.249 290 A C 1.052 178.601 177.584 -0.058 0.000 1.084 290 A CA -0.257 51.776 52.037 -0.008 0.000 0.781 290 A CB 0.265 19.260 19.000 -0.009 0.000 1.019 290 A HN 0.882 nan 8.150 nan 0.000 0.490 291 L N 0.653 121.833 121.223 -0.071 0.000 2.456 291 L HA -0.077 4.293 4.340 0.050 0.000 0.224 291 L C 1.431 178.240 176.870 -0.102 0.000 1.148 291 L CA 0.874 55.647 54.840 -0.112 0.000 0.825 291 L CB -0.366 41.641 42.059 -0.086 0.000 0.937 291 L HN 0.769 nan 8.230 nan 0.000 0.450 292 D N 0.168 120.525 120.400 -0.072 0.000 2.249 292 D HA -0.046 4.623 4.640 0.050 0.000 0.205 292 D C 1.213 177.471 176.300 -0.070 0.000 0.962 292 D CA 0.322 54.284 54.000 -0.063 0.000 0.860 292 D CB 0.242 41.017 40.800 -0.042 0.000 0.955 292 D HN 0.290 nan 8.370 nan 0.000 0.505 293 S N -1.026 114.635 115.700 -0.065 0.000 2.584 293 S HA -0.015 4.485 4.470 0.050 0.000 0.270 293 S C 1.243 175.820 174.600 -0.037 0.000 1.346 293 S CA -0.308 57.866 58.200 -0.044 0.000 1.018 293 S CB 1.157 64.359 63.200 0.004 0.000 0.899 293 S HN 0.251 nan 8.310 nan 0.000 0.542 294 H N 1.500 120.495 119.070 -0.124 0.000 2.353 294 H HA -0.044 4.541 4.556 0.049 0.000 0.300 294 H C 1.533 176.861 175.328 -0.001 0.000 1.090 294 H CA 2.353 58.350 56.048 -0.084 0.000 1.327 294 H CB -0.104 29.598 29.762 -0.100 0.000 1.383 294 H HN 0.566 nan 8.280 nan 0.000 0.508 295 I N 0.394 121.032 120.570 0.113 0.000 2.202 295 I HA -0.177 4.023 4.170 0.050 0.000 0.242 295 I C 2.595 178.719 176.117 0.012 0.000 1.091 295 I CA 1.326 62.690 61.300 0.106 0.000 1.368 295 I CB -1.111 37.020 38.000 0.218 0.000 1.058 295 I HN 0.307 nan 8.210 nan 0.000 0.410 296 R N 0.524 120.967 120.500 -0.094 0.000 2.090 296 R HA -0.051 4.318 4.340 0.050 0.000 0.228 296 R C 2.363 178.469 176.300 -0.323 0.000 1.110 296 R CA 0.898 56.749 56.100 -0.415 0.000 0.973 296 R CB 0.012 29.952 30.300 -0.600 0.000 0.869 296 R HN 0.271 nan 8.270 nan 0.000 0.440 297 L N -0.150 120.937 121.223 -0.227 0.000 2.072 297 L HA -0.019 4.351 4.340 0.050 0.000 0.205 297 L C 2.624 179.375 176.870 -0.198 0.000 1.079 297 L CA 1.027 55.746 54.840 -0.202 0.000 0.752 297 L CB -0.507 41.443 42.059 -0.181 0.000 0.906 297 L HN 0.284 nan 8.230 nan 0.000 0.436 298 A N -0.216 122.461 122.820 -0.238 0.000 1.908 298 A HA -0.206 4.144 4.320 0.050 0.000 0.218 298 A C 1.044 178.555 177.584 -0.122 0.000 1.181 298 A CA 1.827 53.721 52.037 -0.237 0.000 0.627 298 A CB -0.369 18.437 19.000 -0.324 0.000 0.818 298 A HN 0.472 nan 8.150 nan 0.000 0.445 299 N N -1.861 116.798 118.700 -0.069 0.000 2.581 299 N HA 0.358 5.128 4.740 0.050 0.000 0.279 299 N C -2.881 172.657 175.510 0.048 0.000 1.124 299 N CA -1.841 51.211 53.050 0.004 0.000 0.833 299 N CB 1.563 40.082 38.487 0.054 0.000 1.338 299 N HN -0.198 nan 8.380 nan 0.000 0.533 300 P HA 0.054 nan 4.420 nan 0.000 0.239 300 P C -0.433 176.990 177.300 0.204 0.000 1.184 300 P CA 0.367 63.471 63.100 0.007 0.000 0.760 300 P CB 0.126 31.808 31.700 -0.029 0.000 0.884 301 R N -1.370 119.242 120.500 0.187 0.000 3.405 301 R HA -0.157 4.212 4.340 0.050 0.000 0.258 301 R C 0.928 177.289 176.300 0.103 0.000 1.030 301 R CA 0.885 57.075 56.100 0.150 0.000 0.691 301 R CB -2.493 27.902 30.300 0.159 0.000 1.093 301 R HN 0.369 nan 8.270 nan 0.000 0.448 302 T N -4.371 110.228 114.554 0.074 0.000 3.023 302 T HA 0.240 4.620 4.350 0.050 0.000 0.266 302 T C 1.667 176.387 174.700 0.034 0.000 1.093 302 T CA 0.665 62.795 62.100 0.050 0.000 1.129 302 T CB 0.297 69.184 68.868 0.033 0.000 0.899 302 T HN 0.761 nan 8.240 nan 0.000 0.491 303 A N 1.246 124.086 122.820 0.032 0.000 4.414 303 A HA -0.369 3.981 4.320 0.050 0.000 0.259 303 A C 1.501 179.096 177.584 0.019 0.000 0.774 303 A CA 2.016 54.067 52.037 0.023 0.000 1.184 303 A CB -2.313 16.698 19.000 0.019 0.000 1.070 303 A HN 0.660 nan 8.150 nan 0.000 0.747 304 E N -0.547 119.665 120.200 0.019 0.000 2.153 304 E HA 0.011 4.391 4.350 0.050 0.000 0.194 304 E C 1.250 177.858 176.600 0.014 0.000 0.988 304 E CA 1.103 57.512 56.400 0.015 0.000 0.811 304 E CB -0.043 29.664 29.700 0.013 0.000 0.746 304 E HN 0.570 nan 8.360 nan 0.000 0.466 305 S N 0.040 115.749 115.700 0.015 0.000 2.256 305 S HA 0.115 4.615 4.470 0.050 0.000 0.210 305 S C 0.444 175.056 174.600 0.020 0.000 1.329 305 S CA -0.339 57.869 58.200 0.014 0.000 1.267 305 S CB 0.183 63.384 63.200 0.002 0.000 1.086 305 S HN 0.056 nan 8.310 nan 0.000 0.468 306 E N 0.991 121.206 120.200 0.025 0.000 2.347 306 E HA -0.059 4.321 4.350 0.050 0.000 0.196 306 E C 1.856 178.481 176.600 0.041 0.000 1.008 306 E CA 1.129 57.546 56.400 0.029 0.000 0.852 306 E CB 0.018 29.732 29.700 0.023 0.000 0.783 306 E HN 0.671 nan 8.360 nan 0.000 0.505 307 S N -0.877 114.852 115.700 0.047 0.000 2.537 307 S HA -0.130 4.370 4.470 0.050 0.000 0.240 307 S C 1.722 176.375 174.600 0.089 0.000 0.981 307 S CA 0.839 59.089 58.200 0.082 0.000 0.948 307 S CB -0.278 62.964 63.200 0.071 0.000 0.759 307 S HN 0.220 nan 8.310 nan 0.000 0.531 308 S N -0.006 115.721 115.700 0.046 0.000 2.572 308 S HA 0.373 4.873 4.470 0.050 0.000 0.228 308 S C 0.227 174.848 174.600 0.035 0.000 0.963 308 S CA -0.703 57.510 58.200 0.021 0.000 0.939 308 S CB -0.494 62.698 63.200 -0.014 0.000 0.804 308 S HN 0.250 nan 8.310 nan 0.000 0.480 309 L N 2.968 124.226 121.223 0.058 0.000 2.467 309 L HA 0.523 4.893 4.340 0.050 0.000 0.270 309 L C 0.200 177.112 176.870 0.069 0.000 1.205 309 L CA 0.670 55.544 54.840 0.056 0.000 0.828 309 L CB 0.713 42.800 42.059 0.048 0.000 1.101 309 L HN 0.633 nan 8.230 nan 0.000 0.479 310 M N 1.706 121.341 119.600 0.059 0.000 2.603 310 M HA 0.484 4.994 4.480 0.050 0.000 0.275 310 M C -1.760 174.561 176.300 0.035 0.000 1.226 310 M CA -0.926 54.410 55.300 0.060 0.000 0.870 310 M CB 1.763 34.421 32.600 0.097 0.000 1.716 310 M HN 0.203 nan 8.290 nan 0.000 0.482 311 L N 2.488 123.722 121.223 0.019 0.000 2.255 311 L HA 0.557 4.927 4.340 0.050 0.000 0.289 311 L C -0.701 176.170 176.870 0.002 0.000 1.046 311 L CA 0.156 55.000 54.840 0.006 0.000 0.816 311 L CB 0.806 42.851 42.059 -0.023 0.000 1.197 311 L HN 0.694 nan 8.230 nan 0.000 0.427 312 R N 4.466 124.941 120.500 -0.043 0.000 2.297 312 R HA 0.459 4.829 4.340 0.050 0.000 0.308 312 R C -0.167 176.043 176.300 -0.150 0.000 1.029 312 R CA -0.371 55.623 56.100 -0.176 0.000 0.929 312 R CB 0.966 31.168 30.300 -0.164 0.000 1.046 312 R HN 0.470 nan 8.270 nan 0.000 0.461 313 R N 1.921 122.309 120.500 -0.188 0.000 2.835 313 R HA 0.225 4.595 4.340 0.050 0.000 0.290 313 R C -0.482 175.770 176.300 -0.081 0.000 1.410 313 R CA -0.232 55.828 56.100 -0.066 0.000 1.590 313 R CB 0.994 31.369 30.300 0.124 0.000 1.288 313 R HN 0.831 nan 8.270 nan 0.000 0.637 314 G N 0.277 108.969 108.800 -0.179 0.000 2.528 314 G HA2 0.342 4.332 3.960 0.050 0.000 0.289 314 G HA3 0.342 4.332 3.960 0.050 0.000 0.289 314 G C -1.266 173.554 174.900 -0.133 0.000 1.192 314 G CA -0.091 44.951 45.100 -0.097 0.000 0.921 314 G HN 0.262 nan 8.290 nan 0.000 0.512 315 Y N -0.970 119.300 120.300 -0.050 0.000 2.504 315 Y HA 0.398 4.991 4.550 0.070 0.000 0.344 315 Y C 0.477 176.282 175.900 -0.159 0.000 1.023 315 Y CA -0.654 57.391 58.100 -0.092 0.000 1.020 315 Y CB 2.314 40.746 38.460 -0.046 0.000 1.282 315 Y HN 0.529 nan 8.280 nan 0.000 0.454 316 S N 2.480 118.026 115.700 -0.257 0.000 2.576 316 S HA 0.327 4.827 4.470 0.050 0.000 0.276 316 S C -1.080 173.251 174.600 -0.449 0.000 1.339 316 S CA -0.408 57.506 58.200 -0.477 0.000 1.039 316 S CB 0.120 62.811 63.200 -0.849 0.000 0.902 316 S HN 0.523 nan 8.310 nan 0.000 0.516 317 Y N -0.498 119.631 120.300 -0.284 0.000 2.536 317 Y HA 0.798 5.376 4.550 0.047 0.000 0.347 317 Y C -0.539 175.379 175.900 0.029 0.000 1.000 317 Y CA -1.176 56.884 58.100 -0.066 0.000 1.051 317 Y CB 1.464 39.903 38.460 -0.036 0.000 1.259 317 Y HN 0.495 nan 8.280 nan 0.000 0.468 318 S N 4.383 120.265 115.700 0.303 0.000 2.736 318 S HA 0.613 5.112 4.470 0.050 0.000 0.285 318 S C -1.068 173.703 174.600 0.284 0.000 1.163 318 S CA -0.620 57.691 58.200 0.184 0.000 1.025 318 S CB 0.354 63.687 63.200 0.222 0.000 1.030 318 S HN 0.881 nan 8.310 nan 0.000 0.486 319 L N 3.582 124.969 121.223 0.274 0.000 2.613 319 L HA 0.676 5.046 4.340 0.050 0.000 0.200 319 L C 1.647 178.593 176.870 0.126 0.000 1.467 319 L CA 0.049 55.012 54.840 0.205 0.000 2.933 319 L CB -0.552 41.631 42.059 0.207 0.000 2.750 319 L HN 0.728 nan 8.230 nan 0.000 0.990 320 G N -0.758 108.106 108.800 0.106 0.000 3.244 320 G HA2 0.468 4.458 3.960 0.050 0.000 0.197 320 G HA3 0.468 4.458 3.960 0.050 0.000 0.197 320 G C -1.126 173.817 174.900 0.071 0.000 1.531 320 G CA -0.038 45.107 45.100 0.075 0.000 0.747 320 G HN 0.053 nan 8.290 nan 0.000 0.763 321 V N 1.283 121.233 119.914 0.059 0.000 2.604 321 V HA 0.513 4.663 4.120 0.050 0.000 0.305 321 V C 0.573 176.697 176.094 0.050 0.000 1.043 321 V CA -0.417 61.916 62.300 0.054 0.000 0.888 321 V CB 1.520 33.370 31.823 0.045 0.000 0.995 321 V HN 0.972 nan 8.190 nan 0.000 0.429 322 T N 1.071 115.655 114.554 0.051 0.000 2.813 322 T HA 0.111 4.491 4.350 0.050 0.000 0.297 322 T C 1.073 175.791 174.700 0.030 0.000 1.036 322 T CA 0.049 62.173 62.100 0.041 0.000 1.044 322 T CB 0.281 69.176 68.868 0.044 0.000 0.993 322 T HN 0.612 nan 8.240 nan 0.000 0.535 323 N N 0.855 119.568 118.700 0.022 0.000 2.137 323 N HA -0.126 4.644 4.740 0.050 0.000 0.190 323 N C 1.763 177.282 175.510 0.015 0.000 1.017 323 N CA 1.586 54.646 53.050 0.016 0.000 0.859 323 N CB -0.349 38.144 38.487 0.010 0.000 1.002 323 N HN 0.766 nan 8.380 nan 0.000 0.428 324 S N -0.879 114.831 115.700 0.016 0.000 2.660 324 S HA 0.245 4.745 4.470 0.050 0.000 0.223 324 S C 1.545 176.157 174.600 0.021 0.000 0.963 324 S CA 0.258 58.467 58.200 0.014 0.000 0.932 324 S CB -0.312 62.893 63.200 0.009 0.000 0.775 324 S HN 0.536 nan 8.310 nan 0.000 0.531 325 G N -0.078 108.738 108.800 0.027 0.000 2.179 325 G HA2 -0.266 3.724 3.960 0.050 0.000 0.260 325 G HA3 -0.266 3.724 3.960 0.050 0.000 0.260 325 G C -0.083 174.843 174.900 0.043 0.000 0.977 325 G CA 0.137 45.256 45.100 0.032 0.000 0.641 325 G HN 0.547 nan 8.290 nan 0.000 0.533 326 Q N -0.412 119.418 119.800 0.050 0.000 2.205 326 Q HA 0.736 5.105 4.340 0.050 0.000 0.249 326 Q C 1.069 177.111 176.000 0.071 0.000 0.948 326 Q CA -0.685 55.158 55.803 0.066 0.000 0.895 326 Q CB 0.844 29.628 28.738 0.077 0.000 1.249 326 Q HN 0.367 nan 8.270 nan 0.000 0.458 327 L N 1.385 122.656 121.223 0.081 0.000 2.559 327 L HA -0.029 4.341 4.340 0.050 0.000 0.282 327 L C 0.053 176.966 176.870 0.073 0.000 1.232 327 L CA 0.352 55.238 54.840 0.078 0.000 0.885 327 L CB 0.129 42.239 42.059 0.085 0.000 1.131 327 L HN 0.591 nan 8.230 nan 0.000 0.498 328 D N 5.693 126.136 120.400 0.071 0.000 2.485 328 D HA 0.453 5.123 4.640 0.050 0.000 0.229 328 D C -0.557 175.753 176.300 0.016 0.000 1.101 328 D CA -0.317 53.733 54.000 0.084 0.000 0.906 328 D CB 0.421 41.302 40.800 0.135 0.000 1.019 328 D HN 0.375 nan 8.370 nan 0.000 0.516 329 M N 1.066 120.548 119.600 -0.196 0.000 2.664 329 M HA 0.915 5.424 4.480 0.050 0.000 0.279 329 M C -0.228 175.424 176.300 -1.080 0.000 1.275 329 M CA -0.899 54.016 55.300 -0.641 0.000 0.829 329 M CB 2.248 34.677 32.600 -0.286 0.000 1.727 329 M HN 0.229 nan 8.290 nan 0.000 0.459 330 G N 0.554 108.375 108.800 -1.631 0.000 2.367 330 G HA2 0.401 4.391 3.960 0.050 0.000 0.272 330 G HA3 0.401 4.391 3.960 0.050 0.000 0.272 330 G C -2.741 171.412 174.900 -1.245 0.000 1.271 330 G CA -0.920 42.866 45.100 -2.190 0.000 0.893 330 G HN 0.803 nan 8.290 nan 0.000 0.485 331 L N 0.516 121.287 121.223 -0.753 0.000 2.295 331 L HA 0.725 5.095 4.340 0.050 0.000 0.285 331 L C -0.095 176.886 176.870 0.186 0.000 1.035 331 L CA -0.672 54.148 54.840 -0.034 0.000 0.806 331 L CB 1.259 43.468 42.059 0.250 0.000 1.214 331 L HN 0.437 nan 8.230 nan 0.000 0.426 332 L N 6.344 127.704 121.223 0.227 0.000 2.387 332 L HA 0.219 4.589 4.340 0.050 0.000 0.267 332 L C -0.395 176.601 176.870 0.211 0.000 1.197 332 L CA -0.259 54.703 54.840 0.204 0.000 1.070 332 L CB -0.423 41.739 42.059 0.171 0.000 1.349 332 L HN 0.522 nan 8.230 nan 0.000 0.422 333 F N 3.568 123.573 119.950 0.091 0.000 2.538 333 F HA 0.325 4.886 4.527 0.057 0.000 0.371 333 F C -0.074 175.753 175.800 0.045 0.000 1.087 333 F CA -0.001 58.049 58.000 0.084 0.000 1.250 333 F CB 0.663 39.723 39.000 0.100 0.000 1.110 333 F HN -0.042 nan 8.300 nan 0.000 0.570 334 V N 5.941 125.534 119.914 -0.536 0.000 2.668 334 V HA 0.400 4.550 4.120 0.050 0.000 0.304 334 V C -0.823 174.875 176.094 -0.659 0.000 1.071 334 V CA -0.845 61.224 62.300 -0.386 0.000 0.894 334 V CB 1.359 33.079 31.823 -0.171 0.000 1.008 334 V HN 1.101 nan 8.190 nan 0.000 0.425 335 C N 3.385 122.370 119.300 -0.525 0.000 2.698 335 C HA 0.875 5.365 4.460 0.050 0.000 0.309 335 C C -1.238 173.440 174.990 -0.520 0.000 1.186 335 C CA -0.906 57.866 59.018 -0.410 0.000 1.474 335 C CB 0.955 28.650 27.740 -0.075 0.000 2.020 335 C HN 0.747 nan 8.230 nan 0.000 0.474 336 Y N 1.674 121.939 120.300 -0.060 0.000 2.387 336 Y HA 0.698 5.275 4.550 0.044 0.000 0.336 336 Y C 0.406 176.267 175.900 -0.065 0.000 1.067 336 Y CA -0.122 57.927 58.100 -0.084 0.000 1.114 336 Y CB 1.454 39.797 38.460 -0.194 0.000 1.208 336 Y HN 0.755 nan 8.280 nan 0.000 0.458 337 Q N 0.527 120.396 119.800 0.115 0.000 2.456 337 Q HA 0.209 4.579 4.340 0.050 0.000 0.284 337 Q C 0.397 176.491 176.000 0.156 0.000 1.061 337 Q CA -0.887 54.972 55.803 0.094 0.000 0.799 337 Q CB 1.257 30.012 28.738 0.028 0.000 1.445 337 Q HN 0.806 nan 8.270 nan 0.000 0.411 338 H N -0.615 118.530 119.070 0.125 0.000 2.529 338 H HA 0.114 4.699 4.556 0.049 0.000 0.277 338 H C -0.712 174.834 175.328 0.363 0.000 0.999 338 H CA 1.001 57.178 56.048 0.215 0.000 1.256 338 H CB 0.883 30.733 29.762 0.147 0.000 1.402 338 H HN 0.545 nan 8.280 nan 0.000 0.566 339 D N 0.416 120.603 120.400 -0.355 0.000 2.738 339 D HA 0.018 4.688 4.640 0.050 0.000 0.218 339 D C 0.411 176.444 176.300 -0.446 0.000 1.345 339 D CA -0.456 53.322 54.000 -0.370 0.000 0.943 339 D CB 1.831 42.333 40.800 -0.496 0.000 1.514 339 D HN 0.154 nan 8.370 nan 0.000 0.585 340 L N 4.457 125.226 121.223 -0.756 0.000 2.046 340 L HA -0.001 4.369 4.340 0.050 0.000 0.208 340 L C 1.887 178.566 176.870 -0.318 0.000 1.077 340 L CA 1.992 56.533 54.840 -0.499 0.000 0.747 340 L CB -0.213 41.463 42.059 -0.638 0.000 0.896 340 L HN 0.500 nan 8.230 nan 0.000 0.432 341 E N -0.609 119.393 120.200 -0.329 0.000 2.072 341 E HA -0.200 4.180 4.350 0.050 0.000 0.190 341 E C 2.128 178.636 176.600 -0.154 0.000 0.982 341 E CA 1.104 57.386 56.400 -0.198 0.000 0.803 341 E CB -0.005 29.598 29.700 -0.163 0.000 0.755 341 E HN 0.439 nan 8.360 nan 0.000 0.453 342 K N -0.276 120.022 120.400 -0.171 0.000 2.209 342 K HA -0.078 4.272 4.320 0.050 0.000 0.204 342 K C 1.518 178.058 176.600 -0.100 0.000 1.048 342 K CA 0.972 57.188 56.287 -0.119 0.000 0.940 342 K CB 0.067 32.500 32.500 -0.112 0.000 0.729 342 K HN 0.118 nan 8.250 nan 0.000 0.451 343 G N 0.437 109.164 108.800 -0.121 0.000 2.992 343 G HA2 -0.109 3.881 3.960 0.050 0.000 0.195 343 G HA3 -0.109 3.881 3.960 0.050 0.000 0.195 343 G C 0.874 175.758 174.900 -0.027 0.000 2.032 343 G CA -0.124 44.948 45.100 -0.048 0.000 0.831 343 G HN 0.154 nan 8.290 nan 0.000 0.647 344 F N 1.324 121.207 119.950 -0.111 0.000 2.087 344 F HA -0.115 4.441 4.527 0.049 0.000 0.299 344 F C 2.492 178.213 175.800 -0.131 0.000 1.100 344 F CA 1.731 59.668 58.000 -0.105 0.000 1.226 344 F CB -0.291 38.648 39.000 -0.102 0.000 0.983 344 F HN 0.035 nan 8.300 nan 0.000 0.479 345 L N -0.816 120.283 121.223 -0.207 0.000 2.131 345 L HA -0.217 4.153 4.340 0.050 0.000 0.210 345 L C 2.328 179.065 176.870 -0.223 0.000 1.092 345 L CA 1.689 56.408 54.840 -0.202 0.000 0.759 345 L CB -1.145 40.886 42.059 -0.048 0.000 0.903 345 L HN 0.178 nan 8.230 nan 0.000 0.435 346 T N -0.610 113.831 114.554 -0.188 0.000 2.812 346 T HA -0.103 4.276 4.350 0.050 0.000 0.264 346 T C 2.007 176.587 174.700 -0.200 0.000 1.042 346 T CA 1.166 63.175 62.100 -0.152 0.000 1.140 346 T CB -0.032 68.774 68.868 -0.103 0.000 0.870 346 T HN 0.051 nan 8.240 nan 0.000 0.445 347 V N 1.487 121.253 119.914 -0.247 0.000 2.307 347 V HA -0.155 3.995 4.120 0.050 0.000 0.245 347 V C 2.610 178.465 176.094 -0.398 0.000 1.045 347 V CA 1.665 63.804 62.300 -0.268 0.000 1.024 347 V CB -0.721 30.978 31.823 -0.206 0.000 0.651 347 V HN 0.330 nan 8.190 nan 0.000 0.449 348 Q N 0.970 120.376 119.800 -0.656 0.000 2.084 348 Q HA -0.223 4.147 4.340 0.050 0.000 0.202 348 Q C 2.255 177.915 176.000 -0.567 0.000 0.978 348 Q CA 2.084 57.387 55.803 -0.833 0.000 0.844 348 Q CB -0.520 27.285 28.738 -1.555 0.000 0.898 348 Q HN 0.596 nan 8.270 nan 0.000 0.426 349 K N -0.029 120.149 120.400 -0.370 0.000 2.044 349 K HA -0.231 4.118 4.320 0.050 0.000 0.210 349 K C 2.186 178.691 176.600 -0.158 0.000 1.049 349 K CA 1.637 57.835 56.287 -0.148 0.000 0.927 349 K CB -0.249 32.212 32.500 -0.064 0.000 0.713 349 K HN 0.182 nan 8.250 nan 0.000 0.443 350 R N 0.539 120.926 120.500 -0.189 0.000 2.148 350 R HA -0.035 4.335 4.340 0.050 0.000 0.227 350 R C 2.218 178.411 176.300 -0.179 0.000 1.103 350 R CA 0.834 56.836 56.100 -0.163 0.000 0.983 350 R CB -0.015 30.187 30.300 -0.163 0.000 0.874 350 R HN 0.281 nan 8.270 nan 0.000 0.451 351 L N 0.501 121.587 121.223 -0.229 0.000 2.270 351 L HA 0.003 4.373 4.340 0.050 0.000 0.210 351 L C 0.166 176.942 176.870 -0.157 0.000 1.104 351 L CA -0.046 54.669 54.840 -0.209 0.000 0.804 351 L CB -0.375 41.532 42.059 -0.252 0.000 0.937 351 L HN 0.071 nan 8.230 nan 0.000 0.450 352 N N 1.905 120.512 118.700 -0.155 0.000 2.347 352 N HA 0.039 4.809 4.740 0.050 0.000 0.278 352 N C 1.052 176.522 175.510 -0.066 0.000 1.367 352 N CA 1.290 54.285 53.050 -0.092 0.000 0.898 352 N CB 0.557 39.016 38.487 -0.046 0.000 1.203 352 N HN 0.422 nan 8.380 nan 0.000 0.491 353 G N 1.183 109.950 108.800 -0.055 0.000 2.229 353 G HA2 -0.225 3.765 3.960 0.050 0.000 0.189 353 G HA3 -0.225 3.765 3.960 0.050 0.000 0.189 353 G C 0.027 174.896 174.900 -0.051 0.000 1.000 353 G CA 0.047 45.119 45.100 -0.047 0.000 0.663 353 G HN 0.697 nan 8.290 nan 0.000 0.493 354 E N 0.588 120.752 120.200 -0.061 0.000 2.418 354 E HA 0.608 4.988 4.350 0.050 0.000 0.261 354 E C 1.609 178.182 176.600 -0.045 0.000 1.070 354 E CA 0.135 56.500 56.400 -0.059 0.000 0.931 354 E CB 1.109 30.773 29.700 -0.059 0.000 0.954 354 E HN 0.693 nan 8.360 nan 0.000 0.439 355 A N 3.086 125.880 122.820 -0.044 0.000 2.024 355 A HA -0.190 4.160 4.320 0.050 0.000 0.220 355 A C 1.939 179.537 177.584 0.024 0.000 1.164 355 A CA 1.225 53.254 52.037 -0.013 0.000 0.643 355 A CB -0.582 18.412 19.000 -0.011 0.000 0.806 355 A HN 0.682 nan 8.150 nan 0.000 0.451 356 L N 0.290 121.483 121.223 -0.049 0.000 2.191 356 L HA -0.146 4.224 4.340 0.050 0.000 0.212 356 L C 2.057 178.948 176.870 0.035 0.000 1.103 356 L CA 2.017 56.822 54.840 -0.058 0.000 0.769 356 L CB -0.620 41.252 42.059 -0.312 0.000 0.908 356 L HN 0.511 nan 8.230 nan 0.000 0.438 357 E N -0.555 119.643 120.200 -0.003 0.000 2.171 357 E HA -0.320 4.060 4.350 0.050 0.000 0.197 357 E C 1.928 178.523 176.600 -0.007 0.000 0.997 357 E CA 1.362 57.760 56.400 -0.004 0.000 0.810 357 E CB -0.149 29.540 29.700 -0.019 0.000 0.738 357 E HN 0.633 nan 8.360 nan 0.000 0.467 358 E N -0.285 119.884 120.200 -0.052 0.000 2.265 358 E HA -0.191 4.189 4.350 0.050 0.000 0.196 358 E C 0.807 177.259 176.600 -0.246 0.000 0.996 358 E CA 0.915 57.201 56.400 -0.190 0.000 0.832 358 E CB 0.140 29.655 29.700 -0.310 0.000 0.756 358 E HN 0.368 nan 8.360 nan 0.000 0.491 359 Y N -1.069 119.309 120.300 0.131 0.000 2.445 359 Y HA 0.141 4.722 4.550 0.051 0.000 0.247 359 Y C 0.284 176.241 175.900 0.095 0.000 1.129 359 Y CA -0.289 57.912 58.100 0.169 0.000 1.251 359 Y CB 1.248 39.796 38.460 0.147 0.000 1.176 359 Y HN -0.104 nan 8.280 nan 0.000 0.522 360 V N -1.509 118.510 119.914 0.174 0.000 2.735 360 V HA 0.627 4.777 4.120 0.050 0.000 0.310 360 V C -0.758 175.409 176.094 0.122 0.000 1.061 360 V CA -1.418 60.987 62.300 0.176 0.000 0.913 360 V CB 2.385 34.281 31.823 0.122 0.000 1.005 360 V HN 0.036 nan 8.190 nan 0.000 0.428 361 K N 3.960 124.438 120.400 0.130 0.000 2.675 361 K HA 0.552 4.902 4.320 0.050 0.000 0.224 361 K C -3.010 173.627 176.600 0.063 0.000 1.003 361 K CA -1.726 54.608 56.287 0.078 0.000 1.034 361 K CB 2.109 34.648 32.500 0.066 0.000 1.218 361 K HN 0.570 nan 8.250 nan 0.000 0.507 362 P HA 0.072 nan 4.420 nan 0.000 0.271 362 P C 0.043 177.348 177.300 0.008 0.000 1.220 362 P CA -0.076 63.048 63.100 0.039 0.000 0.768 362 P CB 0.496 32.231 31.700 0.058 0.000 0.848 363 I N 0.047 120.594 120.570 -0.038 0.000 4.670 363 I HA 0.559 4.759 4.170 0.050 0.000 0.339 363 I C 0.345 176.358 176.117 -0.174 0.000 1.310 363 I CA -0.137 61.114 61.300 -0.083 0.000 1.288 363 I CB 0.857 38.814 38.000 -0.072 0.000 1.427 363 I HN 0.370 nan 8.210 nan 0.000 0.494 364 G N -0.077 108.595 108.800 -0.214 0.000 2.550 364 G HA2 0.626 4.616 3.960 0.050 0.000 0.293 364 G HA3 0.626 4.616 3.960 0.050 0.000 0.293 364 G C -0.587 174.098 174.900 -0.360 0.000 1.402 364 G CA -0.136 44.733 45.100 -0.386 0.000 0.784 364 G HN 0.762 nan 8.290 nan 0.000 0.482 365 G N -1.815 106.675 108.800 -0.517 0.000 2.265 365 G HA2 0.664 4.654 3.960 0.050 0.000 0.246 365 G HA3 0.664 4.654 3.960 0.050 0.000 0.246 365 G C 0.164 175.026 174.900 -0.064 0.000 1.299 365 G CA 0.862 45.839 45.100 -0.205 0.000 1.117 365 G HN 2.723 nan 8.290 nan 0.000 0.485 366 G N -2.399 106.436 108.800 0.058 0.000 2.328 366 G HA2 0.622 4.611 3.960 0.050 0.000 0.295 366 G HA3 0.622 4.611 3.960 0.050 0.000 0.295 366 G C -1.944 172.779 174.900 -0.296 0.000 1.413 366 G CA -0.303 44.643 45.100 -0.257 0.000 0.817 366 G HN 1.195 nan 8.290 nan 0.000 0.546 367 Y N -0.527 119.491 120.300 -0.469 0.000 2.361 367 Y HA 0.843 5.423 4.550 0.048 0.000 0.332 367 Y C -0.042 175.499 175.900 -0.599 0.000 1.101 367 Y CA -1.698 56.218 58.100 -0.306 0.000 1.137 367 Y CB 1.423 39.847 38.460 -0.060 0.000 1.207 367 Y HN 0.440 nan 8.280 nan 0.000 0.463 368 F N 1.445 121.638 119.950 0.405 0.000 2.626 368 F HA 0.478 5.036 4.527 0.051 0.000 0.311 368 F C -1.233 174.801 175.800 0.390 0.000 1.088 368 F CA -1.321 56.904 58.000 0.375 0.000 0.949 368 F CB 1.668 40.839 39.000 0.284 0.000 1.322 368 F HN 0.236 nan 8.300 nan 0.000 0.461 369 F N 1.887 122.102 119.950 0.442 0.000 2.426 369 F HA 0.757 5.316 4.527 0.053 0.000 0.348 369 F C -0.003 175.968 175.800 0.285 0.000 1.124 369 F CA -0.853 57.299 58.000 0.253 0.000 1.008 369 F CB 0.806 39.860 39.000 0.089 0.000 1.139 369 F HN 0.581 nan 8.300 nan 0.000 0.452 370 A N 7.106 129.797 122.820 -0.214 0.000 2.409 370 A HA 0.489 4.839 4.320 0.050 0.000 0.262 370 A C -0.388 177.230 177.584 0.057 0.000 1.113 370 A CA -0.488 51.546 52.037 -0.005 0.000 0.790 370 A CB 0.108 19.136 19.000 0.046 0.000 1.046 370 A HN 0.861 nan 8.150 nan 0.000 0.496 371 L N 3.123 124.476 121.223 0.216 0.000 2.464 371 L HA 0.243 4.613 4.340 0.050 0.000 0.264 371 L C -1.892 175.147 176.870 0.281 0.000 1.199 371 L CA -1.693 53.352 54.840 0.341 0.000 0.818 371 L CB 0.355 42.569 42.059 0.258 0.000 1.102 371 L HN 0.449 nan 8.230 nan 0.000 0.473 372 P HA 0.019 nan 4.420 nan 0.000 0.269 372 P C -0.054 177.314 177.300 0.112 0.000 1.215 372 P CA -0.156 63.050 63.100 0.177 0.000 0.780 372 P CB 0.417 32.214 31.700 0.162 0.000 0.898 373 G N 0.965 109.761 108.800 -0.006 0.000 2.732 373 G HA2 0.226 4.216 3.960 0.050 0.000 0.244 373 G HA3 0.226 4.216 3.960 0.050 0.000 0.244 373 G C -0.626 174.196 174.900 -0.131 0.000 1.226 373 G CA -0.362 44.691 45.100 -0.079 0.000 0.860 373 G HN 0.369 nan 8.290 nan 0.000 0.583 374 V N 1.594 121.353 119.914 -0.258 0.000 2.348 374 V HA 0.147 4.297 4.120 0.050 0.000 0.270 374 V C 1.140 177.176 176.094 -0.097 0.000 1.037 374 V CA -0.356 61.798 62.300 -0.243 0.000 0.872 374 V CB 1.076 32.625 31.823 -0.457 0.000 1.002 374 V HN 0.877 nan 8.190 nan 0.000 0.464 375 K N 2.603 122.942 120.400 -0.101 0.000 2.025 375 K HA -0.059 4.291 4.320 0.050 0.000 0.207 375 K C 0.309 176.826 176.600 -0.139 0.000 1.049 375 K CA 1.657 57.876 56.287 -0.113 0.000 0.933 375 K CB 0.104 32.530 32.500 -0.123 0.000 0.714 375 K HN 0.956 nan 8.250 nan 0.000 0.438 376 D N -2.966 117.319 120.400 -0.192 0.000 2.744 376 D HA 0.283 4.953 4.640 0.050 0.000 0.304 376 D C 0.022 176.035 176.300 -0.478 0.000 1.179 376 D CA -0.452 53.288 54.000 -0.433 0.000 1.024 376 D CB 0.451 41.080 40.800 -0.286 0.000 1.453 376 D HN -0.109 nan 8.370 nan 0.000 0.529 377 A N -0.620 121.850 122.820 -0.583 0.000 2.125 377 A HA -0.124 4.226 4.320 0.050 0.000 0.219 377 A C 1.380 178.953 177.584 -0.017 0.000 1.156 377 A CA 1.379 53.275 52.037 -0.236 0.000 0.671 377 A CB -1.119 17.779 19.000 -0.170 0.000 0.794 377 A HN 0.543 nan 8.150 nan 0.000 0.459 378 N N -0.484 118.190 118.700 -0.043 0.000 2.353 378 N HA 0.045 4.815 4.740 0.050 0.000 0.185 378 N C 0.091 175.651 175.510 0.084 0.000 1.098 378 N CA 0.199 53.264 53.050 0.025 0.000 0.872 378 N CB 0.195 38.680 38.487 -0.004 0.000 0.970 378 N HN 0.427 nan 8.380 nan 0.000 0.467 379 D N -0.554 119.872 120.400 0.044 0.000 2.340 379 D HA 0.186 4.856 4.640 0.050 0.000 0.251 379 D C -0.893 175.471 176.300 0.107 0.000 1.080 379 D CA -0.343 53.653 54.000 -0.007 0.000 0.971 379 D CB 0.647 41.391 40.800 -0.094 0.000 1.137 379 D HN 0.088 nan 8.370 nan 0.000 0.475 380 Y N -1.495 118.782 120.300 -0.037 0.000 2.597 380 Y HA 0.517 5.096 4.550 0.049 0.000 0.340 380 Y C -0.872 174.996 175.900 -0.052 0.000 1.097 380 Y CA -1.636 56.423 58.100 -0.069 0.000 1.037 380 Y CB 0.118 38.587 38.460 0.016 0.000 1.305 380 Y HN 0.052 nan 8.280 nan 0.000 0.463 381 F N 2.731 122.735 119.950 0.090 0.000 2.549 381 F HA 0.343 4.899 4.527 0.048 0.000 0.400 381 F C 1.450 177.136 175.800 -0.189 0.000 1.011 381 F CA 1.425 59.343 58.000 -0.137 0.000 1.148 381 F CB -0.210 38.577 39.000 -0.355 0.000 0.993 381 F HN 0.947 nan 8.300 nan 0.000 0.540 382 G N 2.337 111.161 108.800 0.041 0.000 2.246 382 G HA2 -0.334 3.656 3.960 0.050 0.000 0.273 382 G HA3 -0.334 3.656 3.960 0.050 0.000 0.273 382 G C 1.106 175.978 174.900 -0.048 0.000 1.055 382 G CA 0.560 45.653 45.100 -0.013 0.000 0.851 382 G HN 0.880 nan 8.290 nan 0.000 0.500 383 S N -1.133 114.414 115.700 -0.254 0.000 2.383 383 S HA 0.200 4.700 4.470 0.050 0.000 0.227 383 S C 2.635 177.119 174.600 -0.194 0.000 1.026 383 S CA 1.398 59.292 58.200 -0.508 0.000 0.981 383 S CB -0.245 62.270 63.200 -1.141 0.000 0.818 383 S HN 1.683 nan 8.310 nan 0.000 0.472 384 A N 1.759 124.523 122.820 -0.093 0.000 1.969 384 A HA 0.162 4.512 4.320 0.050 0.000 0.218 384 A C 2.159 179.747 177.584 0.006 0.000 1.169 384 A CA 1.307 53.354 52.037 0.017 0.000 0.635 384 A CB -0.753 18.320 19.000 0.122 0.000 0.810 384 A HN 0.521 nan 8.150 nan 0.000 0.445 385 L N -0.696 120.448 121.223 -0.131 0.000 2.275 385 L HA -0.004 4.366 4.340 0.050 0.000 0.215 385 L C 1.772 178.486 176.870 -0.261 0.000 1.119 385 L CA 1.581 56.121 54.840 -0.500 0.000 0.790 385 L CB -0.220 41.245 42.059 -0.989 0.000 0.919 385 L HN 0.374 nan 8.230 nan 0.000 0.443 386 L N -2.015 119.146 121.223 -0.104 0.000 2.515 386 L HA 0.154 4.523 4.340 0.050 0.000 0.223 386 L C 2.316 179.192 176.870 0.009 0.000 1.079 386 L CA -0.005 54.819 54.840 -0.027 0.000 0.857 386 L CB -0.203 41.897 42.059 0.068 0.000 1.050 386 L HN 0.122 nan 8.230 nan 0.000 0.476 387 R N -0.279 120.229 120.500 0.014 0.000 1.909 387 R HA 0.238 4.608 4.340 0.050 0.000 0.181 387 R C 0.551 176.868 176.300 0.029 0.000 1.604 387 R CA 0.248 56.364 56.100 0.028 0.000 1.298 387 R CB -0.219 30.100 30.300 0.032 0.000 0.937 387 R HN -0.088 nan 8.270 nan 0.000 0.490 388 V N 0.000 119.938 119.914 0.040 0.000 2.409 388 V HA 0.000 4.150 4.120 0.050 0.000 0.244 388 V CA 0.000 62.335 62.300 0.058 0.000 1.235 388 V CB 0.000 31.875 31.823 0.087 0.000 1.184 388 V HN 0.000 nan 8.190 nan 0.000 0.556