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 2qjn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKITAARVII TCPGRNFVTL KIETDQGVYG IGDATLNGRE LSVVAYLQEH DATA SEQUENCE VAPCLIGMDP RRIEDIWQYV YRGAYWRRGP VTMRAIAAVD MALWDIKAKM DATA SEQUENCE AGMPLYQLLG GRSRDGIMVY GHANGSDIAE TVEAVGHYID MGYKAIRAQT DATA SEQUENCE GVPGIXXXXX XXXXXXXXXX XXASLPSVTG WDTRKALNYV PKLFEELRKT DATA SEQUENCE YGFDHHLLHD GHHRYTPQEA ANLGKMLEPY QLFWLEDCTP AENQEAFRLV DATA SEQUENCE RQHTVTPLAV GEIFNTIWDA KDLIQNQLID YIRATVVGAG GLTHLRRIAD DATA SEQUENCE LASLYQVRTG CHGATDLSPV TMGCALHFDT WVPNFGIQEY MRHTEETDAV DATA SEQUENCE FPHDYWFEKG ELFVGETPGH GVDIDEELAA KYPYKPAYLP VARLEDGTMW DATA SEQUENCE NW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 2 K N 4.207 124.597 120.400 -0.018 0.000 2.477 2 K HA 0.651 4.971 4.320 -0.000 0.000 0.255 2 K C -1.262 175.331 176.600 -0.011 0.000 0.952 2 K CA -0.854 55.421 56.287 -0.019 0.000 0.826 2 K CB 2.752 35.242 32.500 -0.017 0.000 1.331 2 K HN 0.617 nan 8.250 nan 0.000 0.437 3 I N 2.181 122.743 120.570 -0.014 0.000 2.416 3 I HA -0.017 4.153 4.170 -0.000 0.000 0.288 3 I C 1.350 177.467 176.117 0.001 0.000 1.051 3 I CA 0.208 61.507 61.300 -0.002 0.000 1.375 3 I CB 1.114 39.110 38.000 -0.007 0.000 1.407 3 I HN 0.860 nan 8.210 nan 0.000 0.516 4 T N 1.961 116.521 114.554 0.010 0.000 3.015 4 T HA 0.482 4.832 4.350 -0.000 0.000 0.250 4 T C 0.391 175.096 174.700 0.009 0.000 1.057 4 T CA -0.001 62.104 62.100 0.008 0.000 1.066 4 T CB 0.507 69.382 68.868 0.011 0.000 0.959 4 T HN 0.637 nan 8.240 nan 0.000 0.488 5 A N 0.171 123.000 122.820 0.016 0.000 2.589 5 A HA 0.822 5.142 4.320 -0.000 0.000 0.296 5 A C -1.397 176.202 177.584 0.026 0.000 1.062 5 A CA -0.580 51.466 52.037 0.015 0.000 0.686 5 A CB 1.034 20.039 19.000 0.008 0.000 1.282 5 A HN 0.913 nan 8.150 nan 0.000 0.404 6 A N 2.116 124.953 122.820 0.027 0.000 2.702 6 A HA 0.667 4.987 4.320 -0.000 0.000 0.305 6 A C -0.276 177.331 177.584 0.038 0.000 1.213 6 A CA -0.441 51.621 52.037 0.042 0.000 0.745 6 A CB 0.441 19.469 19.000 0.048 0.000 1.161 6 A HN 0.710 nan 8.150 nan 0.000 0.445 7 R N 0.825 121.346 120.500 0.035 0.000 2.474 7 R HA 0.611 4.951 4.340 -0.000 0.000 0.295 7 R C -0.856 175.471 176.300 0.046 0.000 0.980 7 R CA -0.679 55.438 56.100 0.029 0.000 0.934 7 R CB 2.135 32.441 30.300 0.009 0.000 1.101 7 R HN 0.358 nan 8.270 nan 0.000 0.469 8 V N 4.950 124.890 119.914 0.044 0.000 2.394 8 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 8 V C 0.102 176.229 176.094 0.055 0.000 1.031 8 V CA -0.486 61.850 62.300 0.059 0.000 0.881 8 V CB 1.308 33.163 31.823 0.052 0.000 0.982 8 V HN 0.587 nan 8.190 nan 0.000 0.451 9 I N 5.987 126.606 120.570 0.081 0.000 2.406 9 I HA 0.526 4.696 4.170 -0.000 0.000 0.290 9 I C -0.560 175.631 176.117 0.123 0.000 0.999 9 I CA -0.367 60.983 61.300 0.083 0.000 1.124 9 I CB 1.866 39.913 38.000 0.078 0.000 1.289 9 I HN 0.419 nan 8.210 nan 0.000 0.441 10 I N 4.761 125.397 120.570 0.110 0.000 2.474 10 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 10 I C -0.107 176.122 176.117 0.186 0.000 1.005 10 I CA -0.333 61.056 61.300 0.149 0.000 1.113 10 I CB 2.174 40.224 38.000 0.083 0.000 1.289 10 I HN 0.496 nan 8.210 nan 0.000 0.436 11 T N 4.099 118.806 114.554 0.255 0.000 2.932 11 T HA 0.293 4.643 4.350 -0.000 0.000 0.318 11 T C -1.601 173.258 174.700 0.265 0.000 1.265 11 T CA -0.390 61.865 62.100 0.259 0.000 1.036 11 T CB 1.535 70.542 68.868 0.231 0.000 1.209 11 T HN 0.721 nan 8.240 nan 0.000 0.484 12 C N 7.165 126.597 119.300 0.221 0.000 3.273 12 C HA 0.565 5.025 4.460 -0.000 0.000 0.227 12 C C -2.311 172.697 174.990 0.029 0.000 1.409 12 C CA -1.630 57.445 59.018 0.094 0.000 1.516 12 C CB -0.148 27.612 27.740 0.033 0.000 1.853 12 C HN 0.644 nan 8.230 nan 0.000 0.472 13 P HA 0.306 nan 4.420 nan 0.000 0.220 13 P C 0.887 178.085 177.300 -0.170 0.000 1.806 13 P CA 1.223 64.052 63.100 -0.451 0.000 0.976 13 P CB -0.109 31.298 31.700 -0.489 0.000 1.952 14 G N 1.525 110.263 108.800 -0.104 0.000 2.391 14 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.204 14 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.204 14 G C 0.095 174.946 174.900 -0.082 0.000 1.012 14 G CA -0.023 45.048 45.100 -0.048 0.000 0.651 14 G HN 0.722 nan 8.290 nan 0.000 0.494 15 R N -0.741 119.660 120.500 -0.166 0.000 2.728 15 R HA 0.551 4.891 4.340 -0.000 0.000 0.274 15 R C -1.339 174.680 176.300 -0.469 0.000 1.032 15 R CA -0.906 55.013 56.100 -0.303 0.000 0.866 15 R CB -0.085 30.010 30.300 -0.341 0.000 1.263 15 R HN 0.033 nan 8.270 nan 0.000 0.475 16 N N 0.481 118.930 118.700 -0.418 0.000 2.518 16 N HA 0.314 5.054 4.740 -0.000 0.000 0.266 16 N C -1.192 174.034 175.510 -0.474 0.000 1.196 16 N CA 0.450 53.339 53.050 -0.269 0.000 0.947 16 N CB 0.290 38.750 38.487 -0.045 0.000 1.098 16 N HN 0.281 nan 8.380 nan 0.000 0.450 17 F N -0.078 119.970 119.950 0.162 0.000 2.581 17 F HA 0.357 4.884 4.527 -0.000 0.000 0.311 17 F C -0.257 175.650 175.800 0.179 0.000 1.113 17 F CA -0.867 57.222 58.000 0.147 0.000 0.935 17 F CB 1.468 40.578 39.000 0.182 0.000 1.232 17 F HN -0.014 nan 8.300 nan 0.000 0.445 18 V N 2.210 122.330 119.914 0.343 0.000 2.448 18 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 18 V C -0.479 175.748 176.094 0.221 0.000 1.025 18 V CA -0.523 61.918 62.300 0.236 0.000 0.859 18 V CB 2.002 33.916 31.823 0.152 0.000 0.988 18 V HN 0.824 nan 8.190 nan 0.000 0.431 19 T N 5.520 120.208 114.554 0.223 0.000 2.876 19 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 19 T C -0.910 173.887 174.700 0.163 0.000 1.014 19 T CA -0.424 61.803 62.100 0.212 0.000 0.986 19 T CB 1.881 70.937 68.868 0.313 0.000 1.021 19 T HN 0.429 nan 8.240 nan 0.000 0.458 20 L N 2.628 123.943 121.223 0.154 0.000 2.307 20 L HA 0.685 5.025 4.340 -0.000 0.000 0.284 20 L C -0.387 176.568 176.870 0.142 0.000 1.023 20 L CA -0.394 54.526 54.840 0.132 0.000 0.810 20 L CB 1.107 43.244 42.059 0.130 0.000 1.231 20 L HN 0.561 nan 8.230 nan 0.000 0.423 21 K N 5.866 126.330 120.400 0.108 0.000 2.450 21 K HA 0.541 4.861 4.320 -0.000 0.000 0.257 21 K C -1.423 175.230 176.600 0.089 0.000 0.953 21 K CA -0.437 55.911 56.287 0.101 0.000 0.844 21 K CB 0.899 33.414 32.500 0.025 0.000 1.103 21 K HN 0.687 nan 8.250 nan 0.000 0.429 22 I N 4.230 124.875 120.570 0.124 0.000 2.312 22 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 22 I C -0.149 176.043 176.117 0.125 0.000 1.008 22 I CA -0.554 60.808 61.300 0.102 0.000 1.226 22 I CB 1.542 39.599 38.000 0.094 0.000 1.371 22 I HN 0.583 nan 8.210 nan 0.000 0.468 23 E N 4.233 124.485 120.200 0.087 0.000 2.212 23 E HA 0.519 4.869 4.350 -0.000 0.000 0.270 23 E C -0.418 176.223 176.600 0.068 0.000 0.956 23 E CA -0.696 55.764 56.400 0.100 0.000 0.825 23 E CB 2.144 31.876 29.700 0.055 0.000 1.167 23 E HN 0.623 nan 8.360 nan 0.000 0.400 24 T N -2.124 112.472 114.554 0.070 0.000 2.926 24 T HA 0.181 4.531 4.350 -0.000 0.000 0.289 24 T C 0.412 175.131 174.700 0.030 0.000 1.054 24 T CA -0.827 61.295 62.100 0.037 0.000 1.015 24 T CB 1.223 70.105 68.868 0.024 0.000 1.167 24 T HN 0.452 nan 8.240 nan 0.000 0.526 25 D N -0.497 119.912 120.400 0.015 0.000 2.348 25 D HA -0.110 4.530 4.640 -0.000 0.000 0.216 25 D C 1.538 177.844 176.300 0.011 0.000 0.970 25 D CA 0.476 54.483 54.000 0.012 0.000 0.889 25 D CB -0.160 40.642 40.800 0.004 0.000 0.912 25 D HN 0.515 nan 8.370 nan 0.000 0.524 26 Q N 0.315 120.121 119.800 0.010 0.000 2.269 26 Q HA 0.042 4.382 4.340 -0.000 0.000 0.201 26 Q C 1.356 177.364 176.000 0.014 0.000 0.946 26 Q CA 1.719 57.525 55.803 0.005 0.000 0.877 26 Q CB 0.191 28.926 28.738 -0.005 0.000 0.963 26 Q HN 0.448 nan 8.270 nan 0.000 0.472 27 G N -0.002 108.817 108.800 0.031 0.000 2.612 27 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.200 27 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.200 27 G C 0.062 175.009 174.900 0.078 0.000 1.053 27 G CA 0.067 45.199 45.100 0.054 0.000 0.707 27 G HN 0.319 nan 8.290 nan 0.000 0.497 28 V N 2.672 122.597 119.914 0.018 0.000 2.872 28 V HA 0.538 4.658 4.120 -0.000 0.000 0.307 28 V C 0.247 176.362 176.094 0.036 0.000 1.072 28 V CA 0.742 63.014 62.300 -0.047 0.000 1.148 28 V CB 0.431 32.204 31.823 -0.083 0.000 0.954 28 V HN 1.232 nan 8.190 nan 0.000 0.490 29 Y N 3.233 123.532 120.300 -0.001 0.000 2.615 29 Y HA 0.933 5.482 4.550 -0.000 0.000 0.341 29 Y C -0.162 175.742 175.900 0.007 0.000 1.089 29 Y CA -0.876 57.230 58.100 0.009 0.000 1.049 29 Y CB 1.529 40.002 38.460 0.022 0.000 1.296 29 Y HN 0.833 nan 8.280 nan 0.000 0.470 30 G N 0.943 109.912 108.800 0.281 0.000 2.660 30 G HA2 0.666 4.625 3.960 -0.000 0.000 0.294 30 G HA3 0.666 4.625 3.960 -0.000 0.000 0.294 30 G C -1.766 173.310 174.900 0.293 0.000 1.369 30 G CA -1.023 44.189 45.100 0.187 0.000 0.912 30 G HN 1.170 nan 8.290 nan 0.000 0.479 31 I N -1.423 119.342 120.570 0.325 0.000 2.828 31 I HA 0.981 5.151 4.170 -0.000 0.000 0.302 31 I C -0.030 176.308 176.117 0.367 0.000 1.101 31 I CA -1.253 60.250 61.300 0.338 0.000 1.031 31 I CB 2.622 40.840 38.000 0.362 0.000 1.231 31 I HN 0.799 nan 8.210 nan 0.000 0.427 32 G N 1.882 110.832 108.800 0.249 0.000 2.659 32 G HA2 0.415 4.375 3.960 -0.000 0.000 0.296 32 G HA3 0.415 4.375 3.960 -0.000 0.000 0.296 32 G C -2.155 172.820 174.900 0.126 0.000 1.369 32 G CA -0.428 44.786 45.100 0.190 0.000 0.937 32 G HN 0.713 nan 8.290 nan 0.000 0.485 33 D N -0.071 120.367 120.400 0.064 0.000 2.302 33 D HA 0.572 5.212 4.640 -0.000 0.000 0.248 33 D C 0.629 176.978 176.300 0.081 0.000 1.094 33 D CA 0.207 54.230 54.000 0.037 0.000 0.897 33 D CB 1.709 42.486 40.800 -0.039 0.000 1.200 33 D HN 0.523 nan 8.370 nan 0.000 0.429 34 A N 2.416 125.296 122.820 0.100 0.000 2.630 34 A HA 0.199 4.519 4.320 -0.000 0.000 0.287 34 A C 0.332 177.980 177.584 0.106 0.000 1.040 34 A CA -0.380 51.717 52.037 0.099 0.000 0.971 34 A CB -0.065 18.996 19.000 0.103 0.000 1.241 34 A HN 0.452 nan 8.150 nan 0.000 0.558 35 T N 1.197 115.830 114.554 0.133 0.000 2.817 35 T HA 0.358 4.708 4.350 -0.000 0.000 0.295 35 T C -0.477 174.295 174.700 0.121 0.000 0.958 35 T CA 0.622 62.816 62.100 0.156 0.000 1.157 35 T CB 0.712 69.735 68.868 0.259 0.000 0.898 35 T HN 0.314 nan 8.240 nan 0.000 0.536 36 L N 4.961 126.240 121.223 0.094 0.000 2.366 36 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 36 L C -0.171 176.738 176.870 0.065 0.000 1.010 36 L CA -0.749 54.138 54.840 0.078 0.000 0.879 36 L CB 0.736 42.827 42.059 0.053 0.000 1.228 36 L HN 0.427 nan 8.230 nan 0.000 0.439 37 N N 3.437 122.183 118.700 0.076 0.000 2.301 37 N HA 0.226 4.966 4.740 -0.000 0.000 0.267 37 N C 1.334 176.857 175.510 0.021 0.000 1.304 37 N CA 1.799 54.877 53.050 0.047 0.000 0.851 37 N CB 0.539 39.076 38.487 0.083 0.000 1.070 37 N HN 0.910 nan 8.380 nan 0.000 0.483 38 G N 3.522 112.300 108.800 -0.037 0.000 2.199 38 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 38 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 38 G C 0.591 175.440 174.900 -0.084 0.000 0.982 38 G CA 0.193 45.235 45.100 -0.095 0.000 0.632 38 G HN 0.621 nan 8.290 nan 0.000 0.529 39 R N -0.351 120.139 120.500 -0.018 0.000 2.582 39 R HA 0.269 4.609 4.340 -0.000 0.000 0.453 39 R C 1.257 177.567 176.300 0.016 0.000 0.969 39 R CA 0.403 56.505 56.100 0.005 0.000 1.113 39 R CB 0.177 30.494 30.300 0.029 0.000 1.507 39 R HN 0.394 nan 8.270 nan 0.000 0.587 40 E N 1.018 121.234 120.200 0.027 0.000 2.086 40 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 40 E C 1.608 178.203 176.600 -0.009 0.000 1.012 40 E CA 1.413 57.836 56.400 0.038 0.000 0.812 40 E CB -0.150 29.611 29.700 0.101 0.000 0.743 40 E HN 0.237 nan 8.360 nan 0.000 0.453 41 L N 0.838 122.022 121.223 -0.066 0.000 2.362 41 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 41 L C 2.328 179.187 176.870 -0.018 0.000 1.134 41 L CA 1.068 55.847 54.840 -0.103 0.000 0.807 41 L CB -0.634 41.317 42.059 -0.180 0.000 0.927 41 L HN 0.218 nan 8.230 nan 0.000 0.447 42 S N -0.752 114.958 115.700 0.017 0.000 2.402 42 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 42 S C 1.851 176.514 174.600 0.106 0.000 1.021 42 S CA 0.934 59.171 58.200 0.061 0.000 0.974 42 S CB -0.595 62.639 63.200 0.056 0.000 0.800 42 S HN 0.192 nan 8.310 nan 0.000 0.484 43 V N 1.588 121.547 119.914 0.075 0.000 2.453 43 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 43 V C 2.633 178.804 176.094 0.127 0.000 1.048 43 V CA 1.192 63.549 62.300 0.096 0.000 1.049 43 V CB -0.788 31.066 31.823 0.050 0.000 0.672 43 V HN 0.418 nan 8.190 nan 0.000 0.457 44 V N 0.692 120.648 119.914 0.070 0.000 2.287 44 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 44 V C 2.753 178.885 176.094 0.063 0.000 1.053 44 V CA 2.350 64.679 62.300 0.048 0.000 1.027 44 V CB -1.110 30.701 31.823 -0.019 0.000 0.646 44 V HN 0.567 nan 8.190 nan 0.000 0.447 45 A N -1.463 121.397 122.820 0.067 0.000 1.898 45 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 45 A C 2.143 179.805 177.584 0.129 0.000 1.181 45 A CA 1.971 54.044 52.037 0.060 0.000 0.620 45 A CB -0.811 18.226 19.000 0.062 0.000 0.819 45 A HN 0.623 nan 8.150 nan 0.000 0.442 46 Y N 0.275 120.637 120.300 0.105 0.000 2.128 46 Y HA -0.217 4.332 4.550 -0.000 0.000 0.284 46 Y C 2.066 178.049 175.900 0.139 0.000 1.154 46 Y CA 2.110 60.312 58.100 0.171 0.000 1.149 46 Y CB -0.139 38.382 38.460 0.101 0.000 0.976 46 Y HN 0.243 nan 8.280 nan 0.000 0.505 47 L N -0.634 120.769 121.223 0.300 0.000 2.049 47 L HA -0.196 4.144 4.340 -0.000 0.000 0.203 47 L C 2.601 179.522 176.870 0.084 0.000 1.074 47 L CA 1.575 56.535 54.840 0.200 0.000 0.749 47 L CB -0.671 41.487 42.059 0.166 0.000 0.907 47 L HN 0.203 nan 8.230 nan 0.000 0.439 48 Q N -0.221 119.605 119.800 0.044 0.000 2.050 48 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 48 Q C 1.964 177.914 176.000 -0.084 0.000 0.980 48 Q CA 1.472 57.268 55.803 -0.011 0.000 0.840 48 Q CB 0.266 28.995 28.738 -0.016 0.000 0.898 48 Q HN 0.378 nan 8.270 nan 0.000 0.424 49 E N -1.184 118.906 120.200 -0.183 0.000 2.318 49 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 49 E C 1.460 177.710 176.600 -0.583 0.000 0.998 49 E CA 0.747 56.903 56.400 -0.406 0.000 0.859 49 E CB 0.278 29.631 29.700 -0.577 0.000 0.812 49 E HN 0.521 nan 8.360 nan 0.000 0.492 50 H N -0.815 118.204 119.070 -0.085 0.000 2.274 50 H HA 0.190 4.746 4.556 -0.000 0.000 0.271 50 H C 2.282 177.572 175.328 -0.063 0.000 0.945 50 H CA 0.464 56.439 56.048 -0.122 0.000 1.200 50 H CB 0.029 29.617 29.762 -0.291 0.000 1.456 50 H HN -0.107 nan 8.280 nan 0.000 0.536 51 V N 2.005 121.971 119.914 0.086 0.000 2.270 51 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 51 V C 2.872 179.031 176.094 0.108 0.000 1.043 51 V CA 1.744 64.121 62.300 0.128 0.000 1.014 51 V CB -1.091 30.851 31.823 0.200 0.000 0.645 51 V HN 0.438 nan 8.190 nan 0.000 0.447 52 A N 0.805 123.673 122.820 0.079 0.000 1.884 52 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 52 A C 0.609 178.216 177.584 0.038 0.000 1.197 52 A CA 2.621 54.691 52.037 0.055 0.000 0.637 52 A CB -2.140 16.882 19.000 0.037 0.000 0.827 52 A HN 0.544 nan 8.150 nan 0.000 0.450 53 P HA -0.095 nan 4.420 nan 0.000 0.219 53 P C 1.360 178.680 177.300 0.034 0.000 1.146 53 P CA 1.265 64.377 63.100 0.020 0.000 0.808 53 P CB -0.256 31.448 31.700 0.008 0.000 0.779 54 C N -1.699 117.641 119.300 0.066 0.000 2.467 54 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 54 C C 2.587 177.574 174.990 -0.003 0.000 1.347 54 C CA 0.400 59.469 59.018 0.084 0.000 1.748 54 C CB -1.694 26.187 27.740 0.235 0.000 1.977 54 C HN 0.202 nan 8.230 nan 0.000 0.501 55 L N 0.718 121.945 121.223 0.006 0.000 2.156 55 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 55 L C 0.782 177.629 176.870 -0.039 0.000 1.095 55 L CA 0.536 55.356 54.840 -0.033 0.000 0.770 55 L CB -0.573 41.493 42.059 0.011 0.000 0.914 55 L HN 0.233 nan 8.230 nan 0.000 0.439 56 I N 1.428 121.988 120.570 -0.017 0.000 2.821 56 I HA -0.050 4.120 4.170 -0.000 0.000 0.294 56 I C 1.528 177.628 176.117 -0.030 0.000 1.210 56 I CA 1.334 62.624 61.300 -0.016 0.000 1.430 56 I CB -0.610 37.386 38.000 -0.006 0.000 1.356 56 I HN 0.429 nan 8.210 nan 0.000 0.563 57 G N 5.517 114.300 108.800 -0.028 0.000 2.217 57 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 57 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 57 G C 0.438 175.308 174.900 -0.049 0.000 0.990 57 G CA -0.129 44.952 45.100 -0.033 0.000 0.627 57 G HN 0.492 nan 8.290 nan 0.000 0.522 58 M N 0.939 120.499 119.600 -0.068 0.000 2.228 58 M HA 0.313 4.793 4.480 -0.000 0.000 0.326 58 M C 0.085 176.347 176.300 -0.064 0.000 1.122 58 M CA -0.298 54.949 55.300 -0.089 0.000 1.161 58 M CB 0.490 33.008 32.600 -0.136 0.000 1.437 58 M HN 0.132 nan 8.290 nan 0.000 0.465 59 D N 3.664 124.025 120.400 -0.064 0.000 2.352 59 D HA 0.140 4.780 4.640 -0.000 0.000 0.245 59 D C -1.586 174.677 176.300 -0.061 0.000 1.224 59 D CA -2.051 51.917 54.000 -0.054 0.000 0.879 59 D CB 0.844 41.614 40.800 -0.049 0.000 1.057 59 D HN 0.240 nan 8.370 nan 0.000 0.491 60 P HA -0.147 nan 4.420 nan 0.000 0.223 60 P C 0.900 178.140 177.300 -0.100 0.000 1.144 60 P CA 0.682 63.744 63.100 -0.064 0.000 0.783 60 P CB 0.342 32.016 31.700 -0.043 0.000 0.771 61 R N -0.141 120.301 120.500 -0.098 0.000 2.236 61 R HA 0.059 4.399 4.340 -0.000 0.000 0.208 61 R C 1.312 177.526 176.300 -0.145 0.000 1.036 61 R CA 0.368 56.391 56.100 -0.127 0.000 1.001 61 R CB -0.234 30.010 30.300 -0.093 0.000 0.896 61 R HN 0.213 nan 8.270 nan 0.000 0.464 62 R N 1.447 121.883 120.500 -0.107 0.000 4.138 62 R HA 0.156 4.496 4.340 -0.000 0.000 0.206 62 R C 0.855 177.104 176.300 -0.085 0.000 1.667 62 R CA -0.128 55.922 56.100 -0.083 0.000 1.481 62 R CB -0.037 30.235 30.300 -0.046 0.000 1.388 62 R HN 0.209 nan 8.270 nan 0.000 0.776 63 I N 0.531 120.996 120.570 -0.176 0.000 2.163 63 I HA -0.322 3.847 4.170 -0.000 0.000 0.243 63 I C 2.388 178.511 176.117 0.009 0.000 1.085 63 I CA 1.428 62.614 61.300 -0.189 0.000 1.347 63 I CB -0.082 37.576 38.000 -0.569 0.000 1.044 63 I HN 0.373 nan 8.210 nan 0.000 0.408 64 E N 1.324 121.531 120.200 0.012 0.000 2.077 64 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 64 E C 1.678 178.393 176.600 0.192 0.000 0.989 64 E CA 1.837 58.304 56.400 0.111 0.000 0.800 64 E CB -0.173 29.560 29.700 0.055 0.000 0.746 64 E HN 0.427 nan 8.360 nan 0.000 0.452 65 D N -0.639 119.836 120.400 0.124 0.000 2.117 65 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 65 D C 1.855 178.276 176.300 0.202 0.000 0.987 65 D CA 1.459 55.548 54.000 0.148 0.000 0.829 65 D CB -0.086 40.760 40.800 0.077 0.000 0.961 65 D HN 0.298 nan 8.370 nan 0.000 0.460 66 I N -0.652 120.011 120.570 0.154 0.000 2.394 66 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 66 I C 1.871 178.152 176.117 0.274 0.000 1.136 66 I CA 0.514 61.911 61.300 0.162 0.000 1.425 66 I CB -0.271 37.770 38.000 0.068 0.000 1.079 66 I HN 0.279 nan 8.210 nan 0.000 0.425 67 W N 1.732 123.111 121.300 0.132 0.000 2.355 67 W HA -0.226 4.434 4.660 -0.000 0.000 0.309 67 W C 2.657 179.299 176.519 0.206 0.000 1.206 67 W CA 1.274 58.713 57.345 0.157 0.000 1.284 67 W CB -0.014 29.520 29.460 0.125 0.000 1.145 67 W HN 0.040 nan 8.180 nan 0.000 0.502 68 Q N -0.724 119.430 119.800 0.589 0.000 2.124 68 Q HA -0.264 4.075 4.340 -0.000 0.000 0.202 68 Q C 1.932 178.109 176.000 0.295 0.000 0.977 68 Q CA 1.884 57.978 55.803 0.484 0.000 0.850 68 Q CB -1.381 27.593 28.738 0.395 0.000 0.901 68 Q HN 0.592 nan 8.270 nan 0.000 0.429 69 Y N 1.010 121.397 120.300 0.144 0.000 2.114 69 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 69 Y C 2.192 178.115 175.900 0.039 0.000 1.143 69 Y CA 1.439 59.588 58.100 0.082 0.000 1.135 69 Y CB -0.076 38.425 38.460 0.068 0.000 0.980 69 Y HN -0.139 nan 8.280 nan 0.000 0.499 70 V N -0.411 119.609 119.914 0.177 0.000 2.548 70 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 70 V C 1.914 177.950 176.094 -0.096 0.000 1.055 70 V CA 1.929 64.255 62.300 0.042 0.000 1.065 70 V CB -1.031 30.843 31.823 0.084 0.000 0.681 70 V HN 0.567 nan 8.190 nan 0.000 0.462 71 Y N 1.541 121.652 120.300 -0.315 0.000 2.130 71 Y HA -0.149 4.400 4.550 -0.000 0.000 0.287 71 Y C 2.739 178.532 175.900 -0.178 0.000 1.124 71 Y CA 1.734 59.603 58.100 -0.385 0.000 1.118 71 Y CB -0.138 37.878 38.460 -0.740 0.000 0.994 71 Y HN 0.050 nan 8.280 nan 0.000 0.497 72 R N -0.520 119.941 120.500 -0.065 0.000 2.073 72 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 72 R C 2.552 178.736 176.300 -0.192 0.000 1.120 72 R CA 0.988 57.016 56.100 -0.120 0.000 0.967 72 R CB -0.959 29.381 30.300 0.066 0.000 0.862 72 R HN 0.485 nan 8.270 nan 0.000 0.436 73 G N 1.198 109.857 108.800 -0.235 0.000 2.462 73 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 73 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 73 G C 1.523 176.283 174.900 -0.233 0.000 1.121 73 G CA 0.769 45.670 45.100 -0.332 0.000 0.758 73 G HN 0.398 nan 8.290 nan 0.000 0.559 74 A N -1.216 121.494 122.820 -0.184 0.000 2.070 74 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 74 A C 1.506 179.037 177.584 -0.089 0.000 1.159 74 A CA 1.764 53.757 52.037 -0.074 0.000 0.656 74 A CB -0.325 18.682 19.000 0.011 0.000 0.800 74 A HN 0.941 nan 8.150 nan 0.000 0.453 75 Y N -3.253 116.821 120.300 -0.377 0.000 2.736 75 Y HA -0.321 4.229 4.550 -0.000 0.000 0.480 75 Y C -0.220 175.338 175.900 -0.570 0.000 1.192 75 Y CA 1.738 59.499 58.100 -0.565 0.000 2.762 75 Y CB -1.605 36.353 38.460 -0.838 0.000 1.005 75 Y HN 0.409 nan 8.280 nan 0.000 0.560 76 W N 5.123 126.347 121.300 -0.126 0.000 2.437 76 W HA 0.560 5.219 4.660 -0.000 0.000 0.312 76 W C 0.455 176.841 176.519 -0.222 0.000 1.242 76 W CA -0.393 56.846 57.345 -0.177 0.000 1.340 76 W CB 0.293 29.722 29.460 -0.052 0.000 1.327 76 W HN -0.049 nan 8.180 nan 0.000 0.476 77 R N 2.931 123.337 120.500 -0.157 0.000 2.573 77 R HA 0.737 5.077 4.340 -0.000 0.000 0.272 77 R C 0.309 176.542 176.300 -0.111 0.000 1.009 77 R CA -0.981 54.948 56.100 -0.286 0.000 1.059 77 R CB 0.963 30.986 30.300 -0.462 0.000 1.112 77 R HN 0.538 nan 8.270 nan 0.000 0.517 78 R N -0.595 119.860 120.500 -0.075 0.000 3.936 78 R HA -0.155 4.185 4.340 -0.000 0.000 0.451 78 R C -0.279 176.035 176.300 0.023 0.000 0.241 78 R CA 0.640 56.788 56.100 0.082 0.000 1.423 78 R CB -1.351 29.031 30.300 0.136 0.000 1.085 78 R HN 1.091 nan 8.270 nan 0.000 0.524 79 G N -0.944 107.879 108.800 0.039 0.000 2.674 79 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 79 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 79 G C -2.007 172.888 174.900 -0.008 0.000 1.195 79 G CA -0.448 44.657 45.100 0.008 0.000 0.776 79 G HN 0.408 nan 8.290 nan 0.000 0.654 80 P HA -0.096 nan 4.420 nan 0.000 0.215 80 P C 2.019 179.292 177.300 -0.045 0.000 1.153 80 P CA 1.899 65.001 63.100 0.003 0.000 0.853 80 P CB 0.121 31.834 31.700 0.020 0.000 0.788 81 V N 0.420 120.282 119.914 -0.086 0.000 2.270 81 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 81 V C 2.728 178.586 176.094 -0.394 0.000 1.043 81 V CA 2.654 64.853 62.300 -0.168 0.000 1.014 81 V CB -2.005 29.746 31.823 -0.121 0.000 0.645 81 V HN 0.158 nan 8.190 nan 0.000 0.447 82 T N 0.332 114.618 114.554 -0.447 0.000 2.607 82 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 82 T C 1.931 176.431 174.700 -0.334 0.000 1.049 82 T CA 1.874 63.620 62.100 -0.589 0.000 1.162 82 T CB -0.341 68.376 68.868 -0.252 0.000 0.863 82 T HN 0.189 nan 8.240 nan 0.000 0.424 83 M N 0.540 120.051 119.600 -0.149 0.000 2.296 83 M HA 0.094 4.574 4.480 -0.000 0.000 0.265 83 M C 2.257 178.540 176.300 -0.028 0.000 1.064 83 M CA 1.145 56.414 55.300 -0.051 0.000 1.109 83 M CB -1.089 31.530 32.600 0.032 0.000 1.396 83 M HN 0.035 nan 8.290 nan 0.000 0.430 84 R N 0.595 121.064 120.500 -0.052 0.000 2.075 84 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 84 R C 2.266 178.565 176.300 -0.003 0.000 1.126 84 R CA 1.733 57.830 56.100 -0.005 0.000 0.963 84 R CB -0.748 29.549 30.300 -0.006 0.000 0.858 84 R HN 0.388 nan 8.270 nan 0.000 0.435 85 A N 0.210 122.984 122.820 -0.076 0.000 1.873 85 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 85 A C 2.189 179.796 177.584 0.038 0.000 1.186 85 A CA 1.400 53.436 52.037 -0.003 0.000 0.616 85 A CB -0.557 18.427 19.000 -0.027 0.000 0.823 85 A HN 0.285 nan 8.150 nan 0.000 0.442 86 I N -0.211 120.347 120.570 -0.020 0.000 2.286 86 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 86 I C 2.925 179.090 176.117 0.080 0.000 1.115 86 I CA 1.041 62.321 61.300 -0.032 0.000 1.392 86 I CB -0.298 37.577 38.000 -0.207 0.000 1.065 86 I HN 0.371 nan 8.210 nan 0.000 0.418 87 A N 0.674 123.559 122.820 0.109 0.000 1.930 87 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 87 A C 2.544 180.229 177.584 0.168 0.000 1.175 87 A CA 1.642 53.783 52.037 0.174 0.000 0.627 87 A CB -0.694 18.391 19.000 0.142 0.000 0.815 87 A HN 0.420 nan 8.150 nan 0.000 0.443 88 A N -0.541 122.358 122.820 0.133 0.000 1.933 88 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 88 A C 2.220 179.900 177.584 0.160 0.000 1.175 88 A CA 1.763 53.883 52.037 0.139 0.000 0.628 88 A CB -0.824 18.249 19.000 0.121 0.000 0.814 88 A HN 0.356 nan 8.150 nan 0.000 0.444 89 V N 0.219 120.224 119.914 0.151 0.000 2.307 89 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 89 V C 2.312 178.515 176.094 0.181 0.000 1.045 89 V CA 2.440 64.829 62.300 0.148 0.000 1.024 89 V CB -0.799 31.101 31.823 0.129 0.000 0.651 89 V HN 0.683 nan 8.190 nan 0.000 0.449 90 D N -0.521 120.025 120.400 0.243 0.000 2.123 90 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 90 D C 2.221 178.747 176.300 0.378 0.000 0.992 90 D CA 1.624 55.828 54.000 0.340 0.000 0.833 90 D CB -0.116 40.979 40.800 0.492 0.000 0.954 90 D HN 0.313 nan 8.370 nan 0.000 0.455 91 M N -0.139 119.657 119.600 0.327 0.000 2.117 91 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 91 M C 2.327 178.833 176.300 0.343 0.000 1.065 91 M CA 1.517 57.023 55.300 0.344 0.000 1.114 91 M CB -0.232 32.517 32.600 0.248 0.000 1.361 91 M HN 0.118 nan 8.290 nan 0.000 0.408 92 A N 0.407 123.383 122.820 0.260 0.000 1.902 92 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 92 A C 2.064 179.728 177.584 0.133 0.000 1.181 92 A CA 1.375 53.538 52.037 0.210 0.000 0.623 92 A CB -0.891 18.216 19.000 0.178 0.000 0.818 92 A HN 0.464 nan 8.150 nan 0.000 0.443 93 L N -2.921 118.359 121.223 0.095 0.000 2.093 93 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 93 L C 2.569 179.383 176.870 -0.094 0.000 1.085 93 L CA 1.134 55.952 54.840 -0.037 0.000 0.755 93 L CB -0.498 41.493 42.059 -0.113 0.000 0.904 93 L HN 0.595 nan 8.230 nan 0.000 0.435 94 W N 0.600 121.929 121.300 0.049 0.000 2.402 94 W HA -0.195 4.465 4.660 -0.000 0.000 0.286 94 W C 2.365 178.858 176.519 -0.043 0.000 1.221 94 W CA 1.031 58.382 57.345 0.010 0.000 1.257 94 W CB -0.136 29.345 29.460 0.036 0.000 1.120 94 W HN 0.213 nan 8.180 nan 0.000 0.551 95 D N 0.401 120.898 120.400 0.162 0.000 2.117 95 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 95 D C 1.893 178.132 176.300 -0.102 0.000 0.987 95 D CA 1.579 55.520 54.000 -0.098 0.000 0.829 95 D CB -0.326 40.325 40.800 -0.249 0.000 0.961 95 D HN 0.097 nan 8.370 nan 0.000 0.460 96 I N 0.014 120.549 120.570 -0.057 0.000 2.179 96 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 96 I C 2.514 178.585 176.117 -0.077 0.000 1.088 96 I CA 0.989 62.243 61.300 -0.077 0.000 1.357 96 I CB -0.251 37.716 38.000 -0.055 0.000 1.051 96 I HN 0.033 nan 8.210 nan 0.000 0.409 97 K N 1.164 121.521 120.400 -0.073 0.000 2.097 97 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 97 K C 2.141 178.730 176.600 -0.020 0.000 1.049 97 K CA 1.485 57.730 56.287 -0.071 0.000 0.933 97 K CB -0.069 32.346 32.500 -0.142 0.000 0.717 97 K HN 0.306 nan 8.250 nan 0.000 0.442 98 A N 1.202 124.028 122.820 0.009 0.000 1.929 98 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 98 A C 1.840 179.386 177.584 -0.064 0.000 1.176 98 A CA 1.367 53.391 52.037 -0.023 0.000 0.628 98 A CB -0.249 18.721 19.000 -0.050 0.000 0.816 98 A HN 0.266 nan 8.150 nan 0.000 0.444 99 K N -0.814 119.534 120.400 -0.086 0.000 2.057 99 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 99 K C 2.046 178.600 176.600 -0.076 0.000 1.049 99 K CA 1.656 57.884 56.287 -0.099 0.000 0.931 99 K CB -0.275 32.139 32.500 -0.144 0.000 0.714 99 K HN 0.484 nan 8.250 nan 0.000 0.440 100 M N 0.083 119.642 119.600 -0.069 0.000 2.175 100 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 100 M C 2.215 178.488 176.300 -0.045 0.000 1.063 100 M CA 1.354 56.620 55.300 -0.056 0.000 1.119 100 M CB -0.144 32.423 32.600 -0.056 0.000 1.377 100 M HN 0.165 nan 8.290 nan 0.000 0.415 101 A N -0.211 122.583 122.820 -0.042 0.000 2.167 101 A HA 0.288 4.607 4.320 -0.000 0.000 0.214 101 A C 1.623 179.184 177.584 -0.038 0.000 1.151 101 A CA 0.893 52.909 52.037 -0.035 0.000 0.735 101 A CB -0.804 18.179 19.000 -0.029 0.000 0.802 101 A HN 0.638 nan 8.150 nan 0.000 0.467 102 G N -1.219 107.555 108.800 -0.044 0.000 2.198 102 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 102 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 102 G C -0.076 174.798 174.900 -0.043 0.000 1.042 102 G CA 0.701 45.778 45.100 -0.039 0.000 0.791 102 G HN 0.525 nan 8.290 nan 0.000 0.502 103 M N -0.106 119.457 119.600 -0.061 0.000 2.531 103 M HA 0.495 4.975 4.480 -0.000 0.000 0.286 103 M C -2.610 173.620 176.300 -0.117 0.000 1.232 103 M CA -2.319 52.926 55.300 -0.092 0.000 0.877 103 M CB 2.785 35.312 32.600 -0.121 0.000 1.726 103 M HN -0.079 nan 8.290 nan 0.000 0.463 104 P HA 0.030 nan 4.420 nan 0.000 0.272 104 P C 0.443 177.589 177.300 -0.257 0.000 1.223 104 P CA -0.356 62.693 63.100 -0.085 0.000 0.784 104 P CB 0.944 32.699 31.700 0.091 0.000 0.923 105 L N 4.105 125.080 121.223 -0.414 0.000 2.051 105 L HA -0.245 4.094 4.340 -0.000 0.000 0.214 105 L C 2.569 179.367 176.870 -0.120 0.000 1.076 105 L CA 2.060 56.696 54.840 -0.339 0.000 0.758 105 L CB -2.024 39.724 42.059 -0.518 0.000 0.890 105 L HN 0.468 nan 8.230 nan 0.000 0.433 106 Y N -1.531 118.904 120.300 0.225 0.000 2.315 106 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 106 Y C 2.173 178.096 175.900 0.037 0.000 1.154 106 Y CA 1.352 59.553 58.100 0.168 0.000 1.229 106 Y CB -1.173 37.432 38.460 0.242 0.000 0.980 106 Y HN 0.278 nan 8.280 nan 0.000 0.540 107 Q N 0.414 119.909 119.800 -0.509 0.000 2.119 107 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 107 Q C 2.168 178.068 176.000 -0.167 0.000 0.972 107 Q CA 1.244 56.856 55.803 -0.318 0.000 0.847 107 Q CB -0.321 28.183 28.738 -0.390 0.000 0.903 107 Q HN 0.535 nan 8.270 nan 0.000 0.433 108 L N 0.097 121.217 121.223 -0.172 0.000 2.217 108 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 108 L C 2.197 178.917 176.870 -0.250 0.000 1.107 108 L CA 1.063 55.830 54.840 -0.121 0.000 0.783 108 L CB -0.541 41.519 42.059 0.002 0.000 0.919 108 L HN 0.128 nan 8.230 nan 0.000 0.442 109 L N -1.347 119.622 121.223 -0.423 0.000 2.291 109 L HA 0.095 4.435 4.340 -0.000 0.000 0.214 109 L C 1.497 177.770 176.870 -0.994 0.000 1.120 109 L CA 1.003 55.332 54.840 -0.851 0.000 0.799 109 L CB -0.414 41.029 42.059 -1.026 0.000 0.925 109 L HN 0.492 nan 8.230 nan 0.000 0.446 110 G N -1.519 107.004 108.800 -0.462 0.000 3.290 110 G HA2 0.232 4.192 3.960 -0.000 0.000 0.220 110 G HA3 0.232 4.192 3.960 -0.000 0.000 0.220 110 G C 0.448 175.452 174.900 0.173 0.000 0.940 110 G CA -0.293 44.733 45.100 -0.122 0.000 0.884 110 G HN 0.618 nan 8.290 nan 0.000 0.649 111 G N -0.425 108.491 108.800 0.194 0.000 2.757 111 G HA2 0.135 4.095 3.960 -0.000 0.000 0.638 111 G HA3 0.135 4.095 3.960 -0.000 0.000 0.638 111 G C -0.194 174.961 174.900 0.425 0.000 1.344 111 G CA 0.159 45.454 45.100 0.326 0.000 0.855 111 G HN 1.013 nan 8.290 nan 0.000 0.537 112 R N -0.030 120.664 120.500 0.322 0.000 2.442 112 R HA 0.527 4.867 4.340 -0.000 0.000 0.291 112 R C 1.012 177.314 176.300 0.003 0.000 1.069 112 R CA 0.456 56.583 56.100 0.045 0.000 1.022 112 R CB 0.309 30.568 30.300 -0.068 0.000 0.976 112 R HN 0.453 nan 8.270 nan 0.000 0.443 113 S N 3.871 119.515 115.700 -0.093 0.000 2.505 113 S HA 0.122 4.592 4.470 -0.000 0.000 0.216 113 S C -0.242 174.269 174.600 -0.148 0.000 1.018 113 S CA -0.180 57.944 58.200 -0.126 0.000 0.911 113 S CB 0.279 63.345 63.200 -0.222 0.000 0.818 113 S HN 0.747 nan 8.310 nan 0.000 0.497 114 R N -0.060 120.321 120.500 -0.199 0.000 2.752 114 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 114 R C -1.103 175.063 176.300 -0.222 0.000 1.026 114 R CA -0.737 55.243 56.100 -0.201 0.000 0.901 114 R CB 0.465 30.613 30.300 -0.255 0.000 1.243 114 R HN -0.189 nan 8.270 nan 0.000 0.463 115 D N 0.545 120.841 120.400 -0.173 0.000 2.297 115 D HA 0.069 4.709 4.640 -0.000 0.000 0.233 115 D C 0.840 176.992 176.300 -0.247 0.000 1.056 115 D CA 1.121 55.052 54.000 -0.114 0.000 0.938 115 D CB -0.447 40.359 40.800 0.010 0.000 1.048 115 D HN 0.594 nan 8.370 nan 0.000 0.442 116 G N 0.306 108.895 108.800 -0.352 0.000 2.477 116 G HA2 0.473 4.433 3.960 -0.000 0.000 0.304 116 G HA3 0.473 4.433 3.960 -0.000 0.000 0.304 116 G C -0.355 174.101 174.900 -0.739 0.000 1.175 116 G CA -0.335 44.202 45.100 -0.938 0.000 0.907 116 G HN 0.050 nan 8.290 nan 0.000 0.509 117 I N 1.556 121.618 120.570 -0.847 0.000 2.354 117 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 117 I C 0.455 176.380 176.117 -0.320 0.000 1.007 117 I CA -0.709 60.220 61.300 -0.618 0.000 1.167 117 I CB 1.135 38.764 38.000 -0.619 0.000 1.320 117 I HN 0.513 nan 8.210 nan 0.000 0.458 118 M N 8.143 127.721 119.600 -0.038 0.000 2.239 118 M HA 0.337 4.817 4.480 -0.000 0.000 0.348 118 M C -0.414 175.935 176.300 0.081 0.000 1.239 118 M CA 0.196 55.513 55.300 0.029 0.000 1.114 118 M CB 0.597 33.258 32.600 0.101 0.000 1.641 118 M HN 0.483 nan 8.290 nan 0.000 0.453 119 V N 3.377 123.307 119.914 0.027 0.000 3.155 119 V HA 0.786 4.906 4.120 -0.000 0.000 0.313 119 V C -1.510 174.677 176.094 0.155 0.000 1.162 119 V CA -0.877 61.462 62.300 0.065 0.000 1.048 119 V CB 1.760 33.640 31.823 0.096 0.000 1.092 119 V HN 0.906 nan 8.190 nan 0.000 0.447 120 Y N -0.296 120.059 120.300 0.091 0.000 2.499 120 Y HA 0.997 5.547 4.550 -0.000 0.000 0.347 120 Y C 0.050 176.058 175.900 0.181 0.000 0.987 120 Y CA -0.571 57.567 58.100 0.064 0.000 1.044 120 Y CB 1.547 39.844 38.460 -0.271 0.000 1.245 120 Y HN 1.050 nan 8.280 nan 0.000 0.461 121 G N 0.457 109.348 108.800 0.151 0.000 2.552 121 G HA2 0.465 4.425 3.960 -0.000 0.000 0.324 121 G HA3 0.465 4.425 3.960 -0.000 0.000 0.324 121 G C -1.887 172.739 174.900 -0.456 0.000 1.217 121 G CA -1.056 43.850 45.100 -0.325 0.000 0.989 121 G HN 0.741 nan 8.290 nan 0.000 0.490 122 H N -0.231 118.379 119.070 -0.767 0.000 2.661 122 H HA 0.584 5.140 4.556 -0.000 0.000 0.290 122 H C 0.284 175.329 175.328 -0.472 0.000 1.082 122 H CA -0.273 55.511 56.048 -0.439 0.000 1.234 122 H CB 1.144 30.808 29.762 -0.163 0.000 1.387 122 H HN 0.610 nan 8.280 nan 0.000 0.476 123 A N 4.353 126.968 122.820 -0.341 0.000 2.252 123 A HA 0.432 4.752 4.320 -0.000 0.000 0.309 123 A C -0.238 177.345 177.584 -0.002 0.000 1.285 123 A CA -0.712 51.274 52.037 -0.084 0.000 0.900 123 A CB 0.061 19.011 19.000 -0.085 0.000 1.157 123 A HN 0.682 nan 8.150 nan 0.000 0.536 124 N N 1.144 119.884 118.700 0.066 0.000 2.272 124 N HA 0.737 5.477 4.740 -0.000 0.000 0.305 124 N C -0.297 175.251 175.510 0.064 0.000 1.103 124 N CA -0.190 52.900 53.050 0.067 0.000 0.791 124 N CB 2.399 40.936 38.487 0.084 0.000 1.356 124 N HN 0.802 nan 8.380 nan 0.000 0.486 125 G N -1.155 107.683 108.800 0.063 0.000 2.704 125 G HA2 0.311 4.271 3.960 -0.000 0.000 0.293 125 G HA3 0.311 4.271 3.960 -0.000 0.000 0.293 125 G C 0.458 175.401 174.900 0.071 0.000 1.421 125 G CA -0.517 44.618 45.100 0.058 0.000 0.870 125 G HN 0.399 nan 8.290 nan 0.000 0.492 126 S N -0.745 114.991 115.700 0.060 0.000 2.428 126 S HA 0.085 4.555 4.470 -0.000 0.000 0.230 126 S C 0.605 175.250 174.600 0.074 0.000 1.014 126 S CA 1.570 59.805 58.200 0.058 0.000 0.957 126 S CB -0.291 62.931 63.200 0.038 0.000 0.784 126 S HN 0.892 nan 8.310 nan 0.000 0.499 127 D N -1.035 119.423 120.400 0.096 0.000 2.664 127 D HA 0.384 5.024 4.640 -0.000 0.000 0.292 127 D C 0.725 177.111 176.300 0.143 0.000 1.214 127 D CA -0.912 53.191 54.000 0.171 0.000 0.932 127 D CB -0.052 40.832 40.800 0.140 0.000 1.420 127 D HN 0.022 nan 8.370 nan 0.000 0.471 128 I N 0.372 121.035 120.570 0.155 0.000 2.163 128 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 128 I C 2.479 178.570 176.117 -0.044 0.000 1.085 128 I CA 1.990 63.262 61.300 -0.046 0.000 1.347 128 I CB -0.451 37.417 38.000 -0.220 0.000 1.044 128 I HN 0.601 nan 8.210 nan 0.000 0.408 129 A N 0.280 123.094 122.820 -0.010 0.000 1.873 129 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 129 A C 2.311 179.892 177.584 -0.005 0.000 1.193 129 A CA 2.280 54.307 52.037 -0.018 0.000 0.629 129 A CB -0.769 18.229 19.000 -0.003 0.000 0.826 129 A HN 0.522 nan 8.150 nan 0.000 0.447 130 E N -1.081 119.127 120.200 0.014 0.000 2.106 130 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 130 E C 1.961 178.573 176.600 0.021 0.000 0.984 130 E CA 1.566 57.977 56.400 0.019 0.000 0.806 130 E CB -0.119 29.597 29.700 0.027 0.000 0.750 130 E HN 0.589 nan 8.360 nan 0.000 0.458 131 T N 0.215 114.776 114.554 0.012 0.000 2.821 131 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 131 T C 1.897 176.592 174.700 -0.010 0.000 1.046 131 T CA 1.085 63.183 62.100 -0.004 0.000 1.139 131 T CB -0.111 68.736 68.868 -0.036 0.000 0.871 131 T HN 0.020 nan 8.240 nan 0.000 0.454 132 V N 1.949 121.852 119.914 -0.017 0.000 2.343 132 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 132 V C 2.757 178.933 176.094 0.137 0.000 1.051 132 V CA 1.738 64.062 62.300 0.041 0.000 1.036 132 V CB -0.538 31.260 31.823 -0.041 0.000 0.654 132 V HN 0.524 nan 8.190 nan 0.000 0.451 133 E N 0.955 121.201 120.200 0.077 0.000 2.077 133 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 133 E C 2.199 178.853 176.600 0.090 0.000 0.989 133 E CA 1.758 58.209 56.400 0.087 0.000 0.800 133 E CB -0.176 29.546 29.700 0.037 0.000 0.746 133 E HN 0.505 nan 8.360 nan 0.000 0.452 134 A N 0.959 123.827 122.820 0.079 0.000 1.933 134 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 134 A C 2.577 180.259 177.584 0.164 0.000 1.175 134 A CA 1.557 53.670 52.037 0.127 0.000 0.628 134 A CB -0.697 18.374 19.000 0.118 0.000 0.814 134 A HN 0.204 nan 8.150 nan 0.000 0.444 135 V N -0.092 119.854 119.914 0.054 0.000 2.407 135 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 135 V C 2.786 178.733 176.094 -0.245 0.000 1.055 135 V CA 1.854 64.107 62.300 -0.078 0.000 1.049 135 V CB -1.353 30.381 31.823 -0.148 0.000 0.662 135 V HN 0.620 nan 8.190 nan 0.000 0.455 136 G N -0.971 107.703 108.800 -0.210 0.000 2.432 136 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 136 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 136 G C 1.438 176.281 174.900 -0.095 0.000 1.135 136 G CA 1.225 46.165 45.100 -0.266 0.000 0.767 136 G HN 0.641 nan 8.290 nan 0.000 0.550 137 H N -0.467 118.536 119.070 -0.111 0.000 2.321 137 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 137 H C 2.130 177.317 175.328 -0.236 0.000 1.087 137 H CA 1.356 57.310 56.048 -0.156 0.000 1.319 137 H CB -0.354 29.298 29.762 -0.183 0.000 1.379 137 H HN 0.407 nan 8.280 nan 0.000 0.501 138 Y N -0.191 119.932 120.300 -0.296 0.000 2.293 138 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 138 Y C 2.650 178.447 175.900 -0.172 0.000 1.137 138 Y CA 1.229 59.090 58.100 -0.399 0.000 1.202 138 Y CB -0.190 37.977 38.460 -0.488 0.000 0.990 138 Y HN 0.216 nan 8.280 nan 0.000 0.537 139 I N -0.232 120.261 120.570 -0.128 0.000 2.226 139 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 139 I C 1.766 177.863 176.117 -0.033 0.000 1.100 139 I CA 1.406 62.600 61.300 -0.177 0.000 1.374 139 I CB -0.321 37.351 38.000 -0.547 0.000 1.057 139 I HN 0.181 nan 8.210 nan 0.000 0.413 140 D N 0.757 121.116 120.400 -0.069 0.000 2.123 140 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 140 D C 2.151 178.460 176.300 0.015 0.000 0.992 140 D CA 1.435 55.427 54.000 -0.013 0.000 0.833 140 D CB -0.226 40.573 40.800 -0.002 0.000 0.954 140 D HN 0.318 nan 8.370 nan 0.000 0.455 141 M N -0.807 118.780 119.600 -0.022 0.000 2.700 141 M HA 0.073 4.553 4.480 -0.000 0.000 0.249 141 M C 1.126 177.566 176.300 0.232 0.000 1.082 141 M CA 0.950 56.307 55.300 0.096 0.000 1.077 141 M CB 0.203 32.834 32.600 0.053 0.000 1.477 141 M HN 0.167 nan 8.290 nan 0.000 0.529 142 G N -0.326 108.599 108.800 0.208 0.000 2.141 142 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.231 142 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.231 142 G C -0.350 174.662 174.900 0.187 0.000 0.984 142 G CA -0.610 44.585 45.100 0.159 0.000 0.660 142 G HN 0.410 nan 8.290 nan 0.000 0.525 143 Y N 1.018 121.422 120.300 0.173 0.000 2.442 143 Y HA 0.396 4.946 4.550 -0.000 0.000 0.330 143 Y C 1.841 177.851 175.900 0.183 0.000 1.129 143 Y CA 0.413 58.640 58.100 0.211 0.000 1.365 143 Y CB 0.922 39.537 38.460 0.258 0.000 1.233 143 Y HN 0.118 nan 8.280 nan 0.000 0.529 144 K N 2.302 122.840 120.400 0.230 0.000 2.314 144 K HA 0.339 4.659 4.320 -0.000 0.000 0.198 144 K C 0.151 176.858 176.600 0.179 0.000 1.045 144 K CA 0.632 57.014 56.287 0.159 0.000 0.988 144 K CB 0.380 32.935 32.500 0.091 0.000 0.783 144 K HN 0.546 nan 8.250 nan 0.000 0.484 145 A N 1.264 124.196 122.820 0.188 0.000 2.422 145 A HA 0.654 4.974 4.320 -0.000 0.000 0.302 145 A C -1.321 176.298 177.584 0.058 0.000 1.041 145 A CA -0.759 51.306 52.037 0.047 0.000 0.708 145 A CB 0.960 19.818 19.000 -0.238 0.000 1.257 145 A HN 0.066 nan 8.150 nan 0.000 0.414 146 I N 0.910 121.435 120.570 -0.075 0.000 2.569 146 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 146 I C 0.107 176.087 176.117 -0.229 0.000 1.088 146 I CA -0.322 60.880 61.300 -0.163 0.000 1.047 146 I CB 2.140 40.034 38.000 -0.178 0.000 1.237 146 I HN 0.728 nan 8.210 nan 0.000 0.421 147 R N 4.146 124.475 120.500 -0.286 0.000 2.254 147 R HA 0.826 5.166 4.340 -0.000 0.000 0.318 147 R C -0.879 175.323 176.300 -0.163 0.000 1.031 147 R CA -0.444 55.488 56.100 -0.280 0.000 0.905 147 R CB 1.009 31.066 30.300 -0.404 0.000 1.050 147 R HN 0.843 nan 8.270 nan 0.000 0.456 148 A N 5.081 127.910 122.820 0.015 0.000 2.287 148 A HA 0.375 4.695 4.320 -0.000 0.000 0.317 148 A C -1.039 176.645 177.584 0.167 0.000 1.220 148 A CA -0.730 51.308 52.037 0.003 0.000 0.835 148 A CB 1.364 20.255 19.000 -0.181 0.000 1.180 148 A HN 0.637 nan 8.150 nan 0.000 0.500 149 Q N 0.942 120.798 119.800 0.094 0.000 2.337 149 Q HA 0.587 4.927 4.340 -0.000 0.000 0.270 149 Q C -0.803 175.278 176.000 0.136 0.000 1.043 149 Q CA -0.319 55.586 55.803 0.170 0.000 0.794 149 Q CB 2.194 30.984 28.738 0.087 0.000 1.281 149 Q HN 0.696 nan 8.270 nan 0.000 0.446 150 T N -0.013 114.660 114.554 0.199 0.000 2.907 150 T HA 0.711 5.061 4.350 -0.000 0.000 0.292 150 T C -0.172 174.658 174.700 0.217 0.000 1.043 150 T CA -0.346 61.862 62.100 0.181 0.000 1.003 150 T CB 1.390 70.370 68.868 0.187 0.000 1.084 150 T HN 0.659 nan 8.240 nan 0.000 0.483 151 G N 1.366 110.264 108.800 0.162 0.000 2.569 151 G HA2 0.511 4.471 3.960 -0.000 0.000 0.249 151 G HA3 0.511 4.471 3.960 -0.000 0.000 0.249 151 G C -0.782 174.153 174.900 0.059 0.000 1.216 151 G CA -0.332 44.836 45.100 0.114 0.000 0.845 151 G HN 0.751 nan 8.290 nan 0.000 0.568 152 V N 3.063 122.953 119.914 -0.041 0.000 2.409 152 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 152 V C -2.031 173.861 176.094 -0.336 0.000 1.020 152 V CA -1.452 60.674 62.300 -0.290 0.000 0.848 152 V CB 1.889 33.615 31.823 -0.162 0.000 0.990 152 V HN 0.576 nan 8.190 nan 0.000 0.430 153 P HA 0.225 nan 4.420 nan 0.000 0.262 153 P C 1.021 178.181 177.300 -0.233 0.000 1.182 153 P CA 1.441 64.354 63.100 -0.312 0.000 0.761 153 P CB 0.582 32.077 31.700 -0.342 0.000 0.795 154 G N 2.158 110.866 108.800 -0.152 0.000 2.213 154 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.236 154 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.236 154 G C 0.234 175.060 174.900 -0.122 0.000 0.991 154 G CA -0.257 44.766 45.100 -0.128 0.000 0.629 154 G HN 0.467 nan 8.290 nan 0.000 0.517 174 S N -0.706 115.035 115.700 0.068 0.000 2.419 174 S HA 0.104 4.574 4.470 -0.000 0.000 0.235 174 S C 0.607 175.337 174.600 0.217 0.000 1.019 174 S CA 1.633 59.904 58.200 0.118 0.000 0.982 174 S CB -0.570 62.662 63.200 0.053 0.000 0.789 174 S HN 0.775 nan 8.310 nan 0.000 0.490 175 L N 0.344 121.609 121.223 0.071 0.000 2.424 175 L HA 0.494 4.834 4.340 -0.000 0.000 0.258 175 L C -2.986 173.773 176.870 -0.185 0.000 0.995 175 L CA -2.751 51.970 54.840 -0.198 0.000 0.821 175 L CB 2.141 44.089 42.059 -0.184 0.000 1.383 175 L HN -0.188 nan 8.230 nan 0.000 0.410 176 P HA 0.052 nan 4.420 nan 0.000 0.263 176 P C -0.861 176.351 177.300 -0.148 0.000 1.195 176 P CA 0.223 63.200 63.100 -0.204 0.000 0.762 176 P CB 0.542 32.095 31.700 -0.245 0.000 0.799 177 S N 1.780 117.401 115.700 -0.131 0.000 2.580 177 S HA 0.249 4.719 4.470 -0.000 0.000 0.274 177 S C 0.120 174.667 174.600 -0.089 0.000 1.329 177 S CA -0.576 57.568 58.200 -0.094 0.000 1.036 177 S CB 0.511 63.663 63.200 -0.081 0.000 0.919 177 S HN 0.141 nan 8.310 nan 0.000 0.515 178 V N 3.626 123.518 119.914 -0.037 0.000 2.350 178 V HA 0.421 4.541 4.120 -0.000 0.000 0.276 178 V C 0.632 176.755 176.094 0.050 0.000 1.028 178 V CA -0.726 61.576 62.300 0.004 0.000 0.860 178 V CB 0.867 32.697 31.823 0.011 0.000 0.990 178 V HN 1.031 nan 8.190 nan 0.000 0.453 179 T N 2.086 116.704 114.554 0.107 0.000 2.943 179 T HA 0.784 5.134 4.350 -0.000 0.000 0.284 179 T C 0.291 175.108 174.700 0.195 0.000 1.015 179 T CA -0.337 61.864 62.100 0.168 0.000 1.042 179 T CB 1.915 70.946 68.868 0.272 0.000 1.055 179 T HN 0.801 nan 8.240 nan 0.000 0.500 180 G N 0.265 109.175 108.800 0.183 0.000 2.461 180 G HA2 0.584 4.544 3.960 -0.000 0.000 0.329 180 G HA3 0.584 4.544 3.960 -0.000 0.000 0.329 180 G C -1.681 173.397 174.900 0.297 0.000 1.170 180 G CA -1.001 44.206 45.100 0.177 0.000 0.935 180 G HN 0.835 nan 8.290 nan 0.000 0.492 181 W N 0.487 121.780 121.300 -0.011 0.000 3.363 181 W HA 0.494 5.153 4.660 -0.000 0.000 0.306 181 W C -2.463 173.983 176.519 -0.121 0.000 1.253 181 W CA -0.608 56.711 57.345 -0.043 0.000 1.195 181 W CB 2.335 31.791 29.460 -0.006 0.000 1.366 181 W HN 0.610 nan 8.180 nan 0.000 0.551 182 D N 2.001 121.652 120.400 -1.247 0.000 2.613 182 D HA 0.255 4.895 4.640 -0.000 0.000 0.230 182 D C 0.484 176.074 176.300 -1.185 0.000 1.365 182 D CA -0.123 53.319 54.000 -0.930 0.000 0.976 182 D CB 2.102 42.601 40.800 -0.501 0.000 1.415 182 D HN 0.140 nan 8.370 nan 0.000 0.589 183 T N 1.807 115.924 114.554 -0.729 0.000 2.746 183 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 183 T C 1.782 176.416 174.700 -0.109 0.000 1.039 183 T CA 1.041 62.997 62.100 -0.239 0.000 1.142 183 T CB -0.075 68.882 68.868 0.147 0.000 0.866 183 T HN 0.255 nan 8.240 nan 0.000 0.444 184 R N 1.748 122.172 120.500 -0.127 0.000 2.081 184 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 184 R C 2.100 178.351 176.300 -0.081 0.000 1.131 184 R CA 1.601 57.664 56.100 -0.063 0.000 0.960 184 R CB -0.435 29.824 30.300 -0.068 0.000 0.856 184 R HN 0.345 nan 8.270 nan 0.000 0.436 185 K N -0.417 119.875 120.400 -0.180 0.000 2.057 185 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 185 K C 2.031 178.571 176.600 -0.100 0.000 1.049 185 K CA 1.426 57.615 56.287 -0.163 0.000 0.931 185 K CB -0.194 32.156 32.500 -0.250 0.000 0.714 185 K HN 0.268 nan 8.250 nan 0.000 0.440 186 A N 1.443 124.163 122.820 -0.167 0.000 1.898 186 A HA -0.089 4.230 4.320 -0.000 0.000 0.216 186 A C 2.106 179.813 177.584 0.206 0.000 1.181 186 A CA 1.044 53.111 52.037 0.051 0.000 0.620 186 A CB -0.577 18.463 19.000 0.065 0.000 0.819 186 A HN 0.145 nan 8.150 nan 0.000 0.442 187 L N -0.063 121.269 121.223 0.181 0.000 2.127 187 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 187 L C 1.750 178.685 176.870 0.109 0.000 1.089 187 L CA 1.080 56.013 54.840 0.155 0.000 0.757 187 L CB -0.524 41.612 42.059 0.128 0.000 0.899 187 L HN 0.383 nan 8.230 nan 0.000 0.434 188 N N -1.664 117.096 118.700 0.100 0.000 2.446 188 N HA -0.123 4.617 4.740 -0.000 0.000 0.179 188 N C 1.362 176.968 175.510 0.161 0.000 1.054 188 N CA 0.773 53.882 53.050 0.099 0.000 0.905 188 N CB 0.160 38.689 38.487 0.070 0.000 0.973 188 N HN 0.344 nan 8.380 nan 0.000 0.448 189 Y N 0.298 120.611 120.300 0.021 0.000 2.594 189 Y HA 0.160 4.710 4.550 -0.000 0.000 0.283 189 Y C 2.060 177.980 175.900 0.033 0.000 1.140 189 Y CA 0.245 58.356 58.100 0.018 0.000 1.261 189 Y CB -0.158 38.308 38.460 0.011 0.000 1.358 189 Y HN -0.268 nan 8.280 nan 0.000 0.513 190 V N 1.999 122.019 119.914 0.177 0.000 2.324 190 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 190 V C -0.696 175.421 176.094 0.039 0.000 1.060 190 V CA 2.516 64.871 62.300 0.091 0.000 1.042 190 V CB -1.820 30.087 31.823 0.140 0.000 0.650 190 V HN 0.276 nan 8.190 nan 0.000 0.450 191 P HA -0.144 nan 4.420 nan 0.000 0.218 191 P C 1.584 178.853 177.300 -0.053 0.000 1.148 191 P CA 1.362 64.514 63.100 0.088 0.000 0.822 191 P CB -0.070 31.700 31.700 0.117 0.000 0.784 192 K N -0.964 119.348 120.400 -0.147 0.000 2.147 192 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 192 K C 1.929 178.307 176.600 -0.371 0.000 1.049 192 K CA 0.865 56.997 56.287 -0.258 0.000 0.936 192 K CB -0.787 31.534 32.500 -0.298 0.000 0.722 192 K HN 0.088 nan 8.250 nan 0.000 0.446 193 L N 0.466 121.444 121.223 -0.408 0.000 1.994 193 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 193 L C 1.814 178.326 176.870 -0.597 0.000 1.071 193 L CA 1.795 56.337 54.840 -0.496 0.000 0.745 193 L CB -0.521 41.233 42.059 -0.507 0.000 0.892 193 L HN 0.014 nan 8.230 nan 0.000 0.431 194 F N 0.128 119.836 119.950 -0.403 0.000 2.325 194 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 194 F C 2.562 177.828 175.800 -0.890 0.000 1.090 194 F CA 1.395 59.097 58.000 -0.495 0.000 1.392 194 F CB -0.453 38.345 39.000 -0.337 0.000 1.053 194 F HN 0.322 nan 8.300 nan 0.000 0.521 195 E N 0.471 120.077 120.200 -0.990 0.000 2.072 195 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 195 E C 1.983 178.329 176.600 -0.423 0.000 0.985 195 E CA 1.241 57.082 56.400 -0.932 0.000 0.801 195 E CB 0.040 29.447 29.700 -0.487 0.000 0.750 195 E HN 0.239 nan 8.360 nan 0.000 0.452 196 E N 0.649 120.629 120.200 -0.367 0.000 2.106 196 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 196 E C 2.307 178.733 176.600 -0.290 0.000 0.984 196 E CA 0.599 56.830 56.400 -0.282 0.000 0.806 196 E CB -0.157 29.383 29.700 -0.266 0.000 0.750 196 E HN 0.404 nan 8.360 nan 0.000 0.458 197 L N 0.549 121.586 121.223 -0.310 0.000 2.017 197 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 197 L C 2.545 179.311 176.870 -0.173 0.000 1.073 197 L CA 1.019 55.740 54.840 -0.199 0.000 0.745 197 L CB -0.273 41.660 42.059 -0.210 0.000 0.894 197 L HN -0.001 nan 8.230 nan 0.000 0.432 198 R N 0.236 120.587 120.500 -0.249 0.000 2.092 198 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 198 R C 2.116 178.300 176.300 -0.193 0.000 1.119 198 R CA 1.064 56.961 56.100 -0.337 0.000 0.970 198 R CB -0.505 29.509 30.300 -0.476 0.000 0.864 198 R HN 0.356 nan 8.270 nan 0.000 0.440 199 K N 0.068 120.378 120.400 -0.150 0.000 2.148 199 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 199 K C 1.394 177.900 176.600 -0.157 0.000 1.050 199 K CA 1.588 57.818 56.287 -0.095 0.000 0.942 199 K CB 0.157 32.600 32.500 -0.095 0.000 0.724 199 K HN 0.031 nan 8.250 nan 0.000 0.446 200 T N -0.516 113.862 114.554 -0.293 0.000 2.894 200 T HA -0.024 4.326 4.350 -0.000 0.000 0.258 200 T C 0.809 175.192 174.700 -0.529 0.000 1.043 200 T CA 0.942 62.742 62.100 -0.500 0.000 1.141 200 T CB -0.105 68.260 68.868 -0.838 0.000 0.873 200 T HN 0.238 nan 8.240 nan 0.000 0.449 201 Y N 0.769 121.021 120.300 -0.079 0.000 2.445 201 Y HA 0.484 5.034 4.550 -0.000 0.000 0.247 201 Y C 1.580 177.480 175.900 0.000 0.000 1.129 201 Y CA -0.414 57.657 58.100 -0.048 0.000 1.251 201 Y CB -0.085 38.316 38.460 -0.098 0.000 1.176 201 Y HN 0.360 nan 8.280 nan 0.000 0.522 202 G N 0.457 109.293 108.800 0.060 0.000 2.693 202 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.226 202 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.226 202 G C -0.075 174.813 174.900 -0.021 0.000 1.354 202 G CA -0.135 45.023 45.100 0.097 0.000 0.873 202 G HN 0.188 nan 8.290 nan 0.000 0.562 203 F N 0.644 120.670 119.950 0.127 0.000 2.641 203 F HA 0.245 4.772 4.527 -0.000 0.000 0.302 203 F C 2.003 177.840 175.800 0.062 0.000 1.098 203 F CA 0.337 58.404 58.000 0.113 0.000 1.318 203 F CB 0.535 39.588 39.000 0.089 0.000 1.035 203 F HN 0.340 nan 8.300 nan 0.000 0.551 204 D N -0.634 119.864 120.400 0.162 0.000 2.144 204 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 204 D C 0.489 176.635 176.300 -0.257 0.000 0.978 204 D CA 1.308 55.278 54.000 -0.051 0.000 0.833 204 D CB -0.174 40.540 40.800 -0.143 0.000 0.961 204 D HN 0.290 nan 8.370 nan 0.000 0.470 205 H N -0.279 118.751 119.070 -0.067 0.000 2.481 205 H HA 0.201 4.757 4.556 -0.000 0.000 0.339 205 H C 0.321 175.579 175.328 -0.118 0.000 1.131 205 H CA -0.350 55.613 56.048 -0.142 0.000 1.301 205 H CB 0.553 30.264 29.762 -0.086 0.000 1.476 205 H HN 0.011 nan 8.280 nan 0.000 0.529 206 H N 2.445 121.576 119.070 0.102 0.000 2.767 206 H HA 0.158 4.714 4.556 -0.000 0.000 0.316 206 H C -0.157 175.158 175.328 -0.022 0.000 1.059 206 H CA 0.035 56.107 56.048 0.041 0.000 1.461 206 H CB 0.327 29.991 29.762 -0.163 0.000 1.475 206 H HN 0.346 nan 8.280 nan 0.000 0.531 207 L N 4.995 126.314 121.223 0.160 0.000 2.333 207 L HA 0.298 4.638 4.340 -0.000 0.000 0.280 207 L C -0.642 176.256 176.870 0.047 0.000 1.004 207 L CA -0.837 54.075 54.840 0.120 0.000 0.820 207 L CB 1.364 43.584 42.059 0.267 0.000 1.247 207 L HN 0.205 nan 8.230 nan 0.000 0.416 208 L N 2.331 123.499 121.223 -0.091 0.000 2.319 208 L HA 0.601 4.940 4.340 -0.000 0.000 0.267 208 L C -0.597 176.319 176.870 0.076 0.000 1.011 208 L CA -0.564 54.135 54.840 -0.235 0.000 0.818 208 L CB 1.613 43.148 42.059 -0.873 0.000 1.316 208 L HN 0.399 nan 8.230 nan 0.000 0.432 209 H N -0.202 118.884 119.070 0.027 0.000 2.894 209 H HA 0.487 5.043 4.556 -0.000 0.000 0.367 209 H C -1.748 173.669 175.328 0.148 0.000 1.144 209 H CA -0.652 55.468 56.048 0.120 0.000 1.180 209 H CB 1.692 31.462 29.762 0.013 0.000 1.758 209 H HN 0.529 nan 8.280 nan 0.000 0.541 210 D N 2.398 122.508 120.400 -0.483 0.000 2.441 210 D HA 0.236 4.876 4.640 -0.000 0.000 0.231 210 D C 1.067 177.152 176.300 -0.358 0.000 1.073 210 D CA -0.025 53.807 54.000 -0.281 0.000 0.850 210 D CB 1.178 41.904 40.800 -0.124 0.000 1.062 210 D HN 0.876 nan 8.370 nan 0.000 0.524 211 G N 2.092 110.807 108.800 -0.141 0.000 2.598 211 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 211 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 211 G C 0.877 175.731 174.900 -0.077 0.000 1.131 211 G CA 0.039 45.198 45.100 0.098 0.000 0.785 211 G HN 0.841 nan 8.290 nan 0.000 0.539 212 H N 0.978 119.805 119.070 -0.405 0.000 2.527 212 H HA -0.193 4.363 4.556 -0.000 0.000 0.321 212 H C 0.489 175.498 175.328 -0.532 0.000 1.092 212 H CA 1.207 56.902 56.048 -0.588 0.000 1.118 212 H CB -1.517 27.924 29.762 -0.534 0.000 1.536 212 H HN 0.784 nan 8.280 nan 0.000 0.407 213 H N -1.910 117.025 119.070 -0.224 0.000 3.010 213 H HA -0.197 4.359 4.556 -0.000 0.000 0.272 213 H C 1.489 176.629 175.328 -0.313 0.000 1.151 213 H CA 1.143 57.055 56.048 -0.227 0.000 1.159 213 H CB -0.761 28.846 29.762 -0.259 0.000 1.295 213 H HN 0.470 nan 8.280 nan 0.000 0.344 214 R N 0.144 120.441 120.500 -0.338 0.000 2.200 214 R HA 0.086 4.426 4.340 -0.000 0.000 0.208 214 R C 0.501 176.664 176.300 -0.229 0.000 1.033 214 R CA 0.647 56.416 56.100 -0.552 0.000 1.000 214 R CB 0.031 29.463 30.300 -1.445 0.000 0.906 214 R HN 0.316 nan 8.270 nan 0.000 0.462 215 Y N 0.277 120.666 120.300 0.147 0.000 2.453 215 Y HA 0.239 4.789 4.550 -0.000 0.000 0.326 215 Y C 1.234 177.221 175.900 0.145 0.000 1.186 215 Y CA -1.005 57.227 58.100 0.219 0.000 1.200 215 Y CB 0.754 39.302 38.460 0.146 0.000 1.247 215 Y HN -0.131 nan 8.280 nan 0.000 0.482 216 T N -1.890 112.867 114.554 0.339 0.000 2.847 216 T HA 0.233 4.583 4.350 -0.000 0.000 0.279 216 T C -2.131 172.648 174.700 0.133 0.000 0.984 216 T CA -1.902 60.322 62.100 0.206 0.000 0.988 216 T CB 1.304 70.294 68.868 0.204 0.000 1.040 216 T HN 0.310 nan 8.240 nan 0.000 0.528 217 P HA -0.156 nan 4.420 nan 0.000 0.215 217 P C 1.870 179.173 177.300 0.006 0.000 1.153 217 P CA 0.835 63.940 63.100 0.009 0.000 0.853 217 P CB 0.020 31.737 31.700 0.028 0.000 0.788 218 Q N 0.564 120.383 119.800 0.031 0.000 2.084 218 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 218 Q C 1.862 177.862 176.000 -0.000 0.000 0.978 218 Q CA 1.906 57.709 55.803 -0.001 0.000 0.844 218 Q CB -0.485 28.259 28.738 0.010 0.000 0.898 218 Q HN 0.353 nan 8.270 nan 0.000 0.426 219 E N 0.079 120.321 120.200 0.069 0.000 2.106 219 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 219 E C 1.925 178.512 176.600 -0.022 0.000 0.984 219 E CA 0.929 57.387 56.400 0.097 0.000 0.806 219 E CB -0.123 29.751 29.700 0.289 0.000 0.750 219 E HN 0.451 nan 8.360 nan 0.000 0.458 220 A N 1.486 124.285 122.820 -0.034 0.000 1.930 220 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 220 A C 2.380 179.868 177.584 -0.160 0.000 1.175 220 A CA 1.472 53.405 52.037 -0.174 0.000 0.627 220 A CB -0.508 18.398 19.000 -0.156 0.000 0.815 220 A HN 0.282 nan 8.150 nan 0.000 0.443 221 A N 0.347 123.106 122.820 -0.101 0.000 1.930 221 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 221 A C 2.001 179.536 177.584 -0.082 0.000 1.175 221 A CA 1.967 53.961 52.037 -0.072 0.000 0.627 221 A CB -0.629 18.341 19.000 -0.049 0.000 0.815 221 A HN 0.584 nan 8.150 nan 0.000 0.443 222 N N 0.136 118.781 118.700 -0.091 0.000 2.058 222 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 222 N C 1.602 177.063 175.510 -0.082 0.000 1.037 222 N CA 1.771 54.775 53.050 -0.076 0.000 0.848 222 N CB -0.519 37.939 38.487 -0.049 0.000 1.021 222 N HN 0.292 nan 8.380 nan 0.000 0.422 223 L N 0.588 121.731 121.223 -0.133 0.000 2.046 223 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 223 L C 2.141 178.931 176.870 -0.133 0.000 1.077 223 L CA 2.220 56.961 54.840 -0.166 0.000 0.747 223 L CB -1.298 40.547 42.059 -0.357 0.000 0.896 223 L HN 0.274 nan 8.230 nan 0.000 0.432 224 G N -0.700 108.019 108.800 -0.135 0.000 2.446 224 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 224 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 224 G C 1.684 176.541 174.900 -0.072 0.000 1.168 224 G CA 0.993 46.032 45.100 -0.102 0.000 0.771 224 G HN 0.444 nan 8.290 nan 0.000 0.551 225 K N -0.331 120.035 120.400 -0.057 0.000 2.057 225 K HA 0.082 4.402 4.320 -0.000 0.000 0.207 225 K C 2.636 179.202 176.600 -0.057 0.000 1.049 225 K CA 1.134 57.395 56.287 -0.045 0.000 0.931 225 K CB -0.229 32.254 32.500 -0.027 0.000 0.714 225 K HN 0.280 nan 8.250 nan 0.000 0.440 226 M N 0.585 120.159 119.600 -0.044 0.000 2.296 226 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 226 M C 1.782 178.082 176.300 0.000 0.000 1.064 226 M CA 1.330 56.621 55.300 -0.014 0.000 1.109 226 M CB -0.122 32.489 32.600 0.019 0.000 1.396 226 M HN 0.132 nan 8.290 nan 0.000 0.430 227 L N -0.919 120.290 121.223 -0.023 0.000 2.509 227 L HA -0.032 4.308 4.340 -0.000 0.000 0.222 227 L C 1.992 178.804 176.870 -0.097 0.000 1.123 227 L CA 0.244 55.095 54.840 0.019 0.000 0.856 227 L CB -0.386 41.615 42.059 -0.097 0.000 0.985 227 L HN 0.281 nan 8.230 nan 0.000 0.456 228 E N 0.788 120.908 120.200 -0.133 0.000 2.114 228 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 228 E C -0.646 175.839 176.600 -0.192 0.000 1.008 228 E CA 1.565 57.888 56.400 -0.127 0.000 0.810 228 E CB -0.712 28.928 29.700 -0.100 0.000 0.739 228 E HN 0.433 nan 8.360 nan 0.000 0.456 229 P HA -0.139 nan 4.420 nan 0.000 0.225 229 P C 0.147 177.273 177.300 -0.290 0.000 1.148 229 P CA 1.084 63.917 63.100 -0.445 0.000 0.779 229 P CB 0.008 31.306 31.700 -0.669 0.000 0.780 230 Y N -1.160 119.259 120.300 0.198 0.000 2.457 230 Y HA 0.170 4.720 4.550 0.000 0.000 0.263 230 Y C 0.779 176.847 175.900 0.281 0.000 1.164 230 Y CA -0.643 57.606 58.100 0.248 0.000 1.274 230 Y CB -0.989 37.550 38.460 0.132 0.000 1.097 230 Y HN -0.124 nan 8.280 nan 0.000 0.523 231 Q N 0.322 120.297 119.800 0.292 0.000 2.447 231 Q HA -0.205 4.135 4.340 -0.000 0.000 0.348 231 Q C -0.792 175.338 176.000 0.216 0.000 1.421 231 Q CA 0.379 56.332 55.803 0.250 0.000 0.978 231 Q CB -1.616 27.350 28.738 0.380 0.000 1.191 231 Q HN 0.388 nan 8.270 nan 0.000 0.371 232 L N -0.196 121.098 121.223 0.117 0.000 2.436 232 L HA 0.145 4.485 4.340 -0.000 0.000 0.265 232 L C 1.588 178.537 176.870 0.133 0.000 1.168 232 L CA 0.447 55.340 54.840 0.087 0.000 0.815 232 L CB -0.035 41.985 42.059 -0.065 0.000 1.109 232 L HN 0.379 nan 8.230 nan 0.000 0.462 233 F N 1.629 121.557 119.950 -0.036 0.000 2.186 233 F HA 0.002 4.529 4.527 0.000 0.000 0.299 233 F C 0.059 175.861 175.800 0.004 0.000 1.090 233 F CA 0.904 58.838 58.000 -0.111 0.000 1.307 233 F CB 0.269 39.035 39.000 -0.391 0.000 1.019 233 F HN 0.522 nan 8.300 nan 0.000 0.489 234 W N -0.236 121.080 121.300 0.027 0.000 3.173 234 W HA 0.463 5.123 4.660 -0.000 0.000 0.313 234 W C -2.743 173.740 176.519 -0.059 0.000 1.228 234 W CA -2.381 54.938 57.345 -0.044 0.000 1.185 234 W CB -0.102 29.309 29.460 -0.082 0.000 1.390 234 W HN -0.098 nan 8.180 nan 0.000 0.568 235 L N 3.029 124.433 121.223 0.301 0.000 2.319 235 L HA 0.575 4.915 4.340 -0.000 0.000 0.281 235 L C -0.133 176.731 176.870 -0.010 0.000 1.005 235 L CA -0.651 54.276 54.840 0.145 0.000 0.828 235 L CB 1.259 43.326 42.059 0.013 0.000 1.227 235 L HN 0.601 nan 8.230 nan 0.000 0.415 236 E N 3.259 123.419 120.200 -0.066 0.000 2.242 236 E HA 0.220 4.570 4.350 -0.000 0.000 0.275 236 E C -0.617 175.831 176.600 -0.253 0.000 1.002 236 E CA -0.491 55.718 56.400 -0.317 0.000 0.841 236 E CB 0.892 30.383 29.700 -0.349 0.000 1.109 236 E HN 0.703 nan 8.360 nan 0.000 0.394 237 D N 2.531 122.771 120.400 -0.268 0.000 2.706 237 D HA -0.232 4.408 4.640 -0.000 0.000 0.230 237 D C 1.222 177.393 176.300 -0.215 0.000 1.184 237 D CA 0.978 54.809 54.000 -0.281 0.000 0.628 237 D CB -1.815 38.538 40.800 -0.744 0.000 1.019 237 D HN 0.581 nan 8.370 nan 0.000 0.415 238 C N -2.602 116.626 119.300 -0.121 0.000 2.411 238 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 238 C C 1.291 176.284 174.990 0.006 0.000 1.288 238 C CA 0.865 59.835 59.018 -0.081 0.000 1.764 238 C CB -0.466 27.137 27.740 -0.228 0.000 1.974 238 C HN 0.554 nan 8.230 nan 0.000 0.498 239 T N -0.278 114.251 114.554 -0.041 0.000 2.894 239 T HA 0.573 4.923 4.350 -0.000 0.000 0.309 239 T C -3.146 171.666 174.700 0.186 0.000 1.208 239 T CA -0.826 61.306 62.100 0.053 0.000 1.016 239 T CB 1.541 70.404 68.868 -0.007 0.000 1.192 239 T HN -0.004 nan 8.240 nan 0.000 0.491 240 P HA 0.266 nan 4.420 nan 0.000 0.264 240 P C -0.741 176.682 177.300 0.206 0.000 1.183 240 P CA 0.069 63.248 63.100 0.131 0.000 0.763 240 P CB 0.452 32.136 31.700 -0.028 0.000 0.807 241 A N 2.835 125.790 122.820 0.224 0.000 2.594 241 A HA 0.131 4.451 4.320 -0.000 0.000 0.287 241 A C 1.401 179.046 177.584 0.101 0.000 1.227 241 A CA -0.078 52.084 52.037 0.209 0.000 0.952 241 A CB -0.476 18.657 19.000 0.221 0.000 1.161 241 A HN 0.430 nan 8.150 nan 0.000 0.524 242 E N 0.768 121.005 120.200 0.063 0.000 2.118 242 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 242 E C 0.874 177.467 176.600 -0.012 0.000 0.992 242 E CA 0.951 57.353 56.400 0.003 0.000 0.804 242 E CB -0.021 29.678 29.700 -0.003 0.000 0.741 242 E HN 0.562 nan 8.360 nan 0.000 0.458 243 N N 0.990 119.702 118.700 0.019 0.000 2.437 243 N HA 0.015 4.755 4.740 -0.000 0.000 0.243 243 N C -0.102 175.426 175.510 0.030 0.000 1.041 243 N CA 0.127 53.189 53.050 0.020 0.000 0.940 243 N CB 0.753 39.262 38.487 0.037 0.000 1.133 243 N HN 0.074 nan 8.380 nan 0.000 0.506 244 Q N 1.696 121.488 119.800 -0.013 0.000 2.500 244 Q HA -0.062 4.278 4.340 -0.000 0.000 0.213 244 Q C 0.383 176.394 176.000 0.018 0.000 0.974 244 Q CA 0.933 56.715 55.803 -0.035 0.000 0.918 244 Q CB 0.307 28.993 28.738 -0.087 0.000 0.980 244 Q HN 0.698 nan 8.270 nan 0.000 0.505 245 E N 0.160 120.387 120.200 0.044 0.000 2.435 245 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 245 E C 1.719 178.392 176.600 0.121 0.000 1.029 245 E CA 0.352 56.791 56.400 0.065 0.000 0.865 245 E CB 0.107 29.833 29.700 0.044 0.000 0.833 245 E HN 0.312 nan 8.360 nan 0.000 0.510 246 A N 0.675 123.596 122.820 0.168 0.000 2.024 246 A HA -0.157 4.162 4.320 -0.000 0.000 0.220 246 A C 1.490 179.242 177.584 0.280 0.000 1.164 246 A CA 1.017 53.184 52.037 0.216 0.000 0.643 246 A CB -0.413 18.735 19.000 0.248 0.000 0.806 246 A HN 0.169 nan 8.150 nan 0.000 0.451 247 F N -0.581 119.381 119.950 0.020 0.000 2.789 247 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 247 F C 2.058 177.863 175.800 0.009 0.000 1.132 247 F CA 0.084 58.092 58.000 0.012 0.000 1.404 247 F CB -0.341 38.659 39.000 -0.000 0.000 1.114 247 F HN 0.232 nan 8.300 nan 0.000 0.584 248 R N 0.308 120.907 120.500 0.166 0.000 2.080 248 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 248 R C 2.265 178.606 176.300 0.067 0.000 1.137 248 R CA 1.422 57.576 56.100 0.091 0.000 0.943 248 R CB -0.651 29.689 30.300 0.067 0.000 0.846 248 R HN 0.226 nan 8.270 nan 0.000 0.431 249 L N 1.115 122.384 121.223 0.077 0.000 2.083 249 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 249 L C 2.221 179.166 176.870 0.124 0.000 1.083 249 L CA 1.563 56.472 54.840 0.115 0.000 0.752 249 L CB -0.676 41.444 42.059 0.102 0.000 0.899 249 L HN 0.161 nan 8.230 nan 0.000 0.433 250 V N 0.061 119.990 119.914 0.024 0.000 2.261 250 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 250 V C 2.707 178.802 176.094 0.002 0.000 1.047 250 V CA 1.842 64.123 62.300 -0.032 0.000 1.015 250 V CB -0.761 30.937 31.823 -0.208 0.000 0.642 250 V HN 0.374 nan 8.190 nan 0.000 0.446 251 R N 0.339 120.846 120.500 0.010 0.000 2.120 251 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 251 R C 2.330 178.618 176.300 -0.021 0.000 1.123 251 R CA 1.845 57.952 56.100 0.011 0.000 0.975 251 R CB -0.652 29.671 30.300 0.038 0.000 0.866 251 R HN 0.698 nan 8.270 nan 0.000 0.446 252 Q N -1.320 118.454 119.800 -0.042 0.000 2.172 252 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 252 Q C 0.814 176.647 176.000 -0.279 0.000 0.964 252 Q CA 1.635 57.342 55.803 -0.161 0.000 0.855 252 Q CB 0.072 28.683 28.738 -0.212 0.000 0.918 252 Q HN 0.593 nan 8.270 nan 0.000 0.444 253 H N -1.406 117.649 119.070 -0.025 0.000 2.648 253 H HA 0.237 4.792 4.556 -0.000 0.000 0.265 253 H C -0.395 174.911 175.328 -0.037 0.000 0.961 253 H CA 0.684 56.715 56.048 -0.029 0.000 1.185 253 H CB 1.245 30.989 29.762 -0.029 0.000 1.449 253 H HN 0.004 nan 8.280 nan 0.000 0.523 254 T N -0.241 114.340 114.554 0.045 0.000 2.900 254 T HA 0.293 4.643 4.350 -0.000 0.000 0.303 254 T C 0.588 175.280 174.700 -0.013 0.000 1.142 254 T CA -0.634 61.470 62.100 0.008 0.000 1.007 254 T CB 1.384 70.245 68.868 -0.011 0.000 1.156 254 T HN 0.007 nan 8.240 nan 0.000 0.490 255 V N 1.038 120.940 119.914 -0.019 0.000 3.596 255 V HA 0.368 4.488 4.120 -0.000 0.000 0.289 255 V C 0.939 177.024 176.094 -0.016 0.000 1.336 255 V CA -0.122 62.166 62.300 -0.021 0.000 1.137 255 V CB -0.713 31.095 31.823 -0.024 0.000 0.966 255 V HN 0.822 nan 8.190 nan 0.000 0.428 256 T N 4.283 118.826 114.554 -0.018 0.000 2.888 256 T HA 0.261 4.611 4.350 -0.000 0.000 0.301 256 T C -2.282 172.425 174.700 0.012 0.000 1.001 256 T CA -0.054 62.040 62.100 -0.010 0.000 1.147 256 T CB 0.807 69.656 68.868 -0.033 0.000 0.931 256 T HN 0.362 nan 8.240 nan 0.000 0.541 257 P HA 0.184 nan 4.420 nan 0.000 0.266 257 P C -0.725 176.648 177.300 0.122 0.000 1.195 257 P CA -0.046 63.105 63.100 0.086 0.000 0.768 257 P CB 0.416 32.192 31.700 0.126 0.000 0.838 258 L N 2.130 123.418 121.223 0.107 0.000 2.346 258 L HA 0.797 5.137 4.340 -0.000 0.000 0.276 258 L C 0.140 177.038 176.870 0.047 0.000 1.006 258 L CA -0.788 54.105 54.840 0.087 0.000 0.817 258 L CB 1.926 44.070 42.059 0.141 0.000 1.272 258 L HN 0.350 nan 8.230 nan 0.000 0.421 259 A N 2.728 125.450 122.820 -0.163 0.000 2.454 259 A HA 0.929 5.249 4.320 -0.000 0.000 0.302 259 A C -1.301 176.052 177.584 -0.384 0.000 1.079 259 A CA -0.626 51.141 52.037 -0.450 0.000 0.731 259 A CB 2.396 20.541 19.000 -1.425 0.000 1.299 259 A HN 0.485 nan 8.150 nan 0.000 0.413 260 V N 0.017 119.685 119.914 -0.410 0.000 3.236 260 V HA 0.688 4.808 4.120 -0.000 0.000 0.287 260 V C 0.421 176.129 176.094 -0.644 0.000 1.491 260 V CA 0.769 62.798 62.300 -0.452 0.000 1.037 260 V CB 1.941 33.538 31.823 -0.377 0.000 1.160 260 V HN 2.578 nan 8.190 nan 0.000 0.453 261 G N 2.682 110.877 108.800 -1.008 0.000 2.318 261 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.172 261 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.172 261 G C 0.568 175.055 174.900 -0.689 0.000 1.002 261 G CA 0.898 45.205 45.100 -1.323 0.000 0.697 261 G HN 1.377 nan 8.290 nan 0.000 0.483 262 E N 0.996 120.902 120.200 -0.489 0.000 2.160 262 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 262 E C 2.346 178.790 176.600 -0.260 0.000 0.991 262 E CA 1.435 57.612 56.400 -0.372 0.000 0.810 262 E CB -0.406 28.894 29.700 -0.667 0.000 0.742 262 E HN 0.939 nan 8.360 nan 0.000 0.466 263 I N -2.123 118.304 120.570 -0.238 0.000 3.793 263 I HA 0.224 4.394 4.170 -0.000 0.000 0.315 263 I C -0.144 176.070 176.117 0.162 0.000 1.275 263 I CA -0.649 60.625 61.300 -0.044 0.000 1.214 263 I CB -0.107 37.868 38.000 -0.042 0.000 1.018 263 I HN -0.229 nan 8.210 nan 0.000 0.439 264 F N 3.682 123.617 119.950 -0.026 0.000 2.450 264 F HA 0.204 4.731 4.527 -0.000 0.000 0.339 264 F C 1.203 177.022 175.800 0.032 0.000 1.146 264 F CA -1.045 56.954 58.000 -0.002 0.000 1.267 264 F CB 0.371 39.362 39.000 -0.016 0.000 1.178 264 F HN 0.258 nan 8.300 nan 0.000 0.585 265 N N -2.154 116.689 118.700 0.239 0.000 2.145 265 N HA 0.116 4.856 4.740 -0.000 0.000 0.219 265 N C -0.374 175.249 175.510 0.189 0.000 1.266 265 N CA 0.105 53.263 53.050 0.179 0.000 0.902 265 N CB 0.633 39.194 38.487 0.123 0.000 1.078 265 N HN 0.498 nan 8.380 nan 0.000 0.513 266 T N -3.729 110.938 114.554 0.189 0.000 2.843 266 T HA 0.330 4.680 4.350 -0.000 0.000 0.302 266 T C 0.371 175.145 174.700 0.124 0.000 1.232 266 T CA -0.944 61.292 62.100 0.227 0.000 1.009 266 T CB 0.972 69.977 68.868 0.228 0.000 1.254 266 T HN 0.005 nan 8.240 nan 0.000 0.504 267 I N -0.116 120.499 120.570 0.074 0.000 2.567 267 I HA 0.021 4.191 4.170 -0.000 0.000 0.257 267 I C 1.380 177.286 176.117 -0.353 0.000 1.184 267 I CA 0.969 62.084 61.300 -0.308 0.000 1.451 267 I CB -0.025 37.617 38.000 -0.597 0.000 1.089 267 I HN 0.772 nan 8.210 nan 0.000 0.441 268 W N 0.797 122.120 121.300 0.038 0.000 2.465 268 W HA -0.149 4.511 4.660 -0.000 0.000 0.268 268 W C 1.882 178.305 176.519 -0.161 0.000 1.242 268 W CA 0.132 57.455 57.345 -0.037 0.000 1.248 268 W CB -0.350 29.113 29.460 0.006 0.000 1.118 268 W HN 0.148 nan 8.180 nan 0.000 0.587 269 D N -0.264 120.061 120.400 -0.124 0.000 2.317 269 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 269 D C 1.811 177.663 176.300 -0.746 0.000 0.966 269 D CA 1.198 54.874 54.000 -0.540 0.000 0.876 269 D CB -0.049 40.187 40.800 -0.939 0.000 0.927 269 D HN 0.217 nan 8.370 nan 0.000 0.519 270 A N -0.171 122.415 122.820 -0.389 0.000 2.498 270 A HA 0.053 4.373 4.320 -0.000 0.000 0.238 270 A C 1.834 179.335 177.584 -0.138 0.000 1.225 270 A CA -0.237 51.671 52.037 -0.216 0.000 0.978 270 A CB 0.326 19.327 19.000 0.002 0.000 1.142 270 A HN -0.104 nan 8.150 nan 0.000 0.552 271 K N 0.948 121.279 120.400 -0.115 0.000 2.059 271 K HA -0.250 4.070 4.320 -0.000 0.000 0.212 271 K C 0.810 177.354 176.600 -0.094 0.000 1.050 271 K CA 2.211 58.450 56.287 -0.079 0.000 0.927 271 K CB -0.167 32.343 32.500 0.017 0.000 0.714 271 K HN 0.399 nan 8.250 nan 0.000 0.447 272 D N 0.637 120.987 120.400 -0.085 0.000 2.149 272 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 272 D C 2.100 178.315 176.300 -0.141 0.000 0.972 272 D CA 0.663 54.604 54.000 -0.099 0.000 0.835 272 D CB -0.194 40.567 40.800 -0.065 0.000 0.966 272 D HN 0.214 nan 8.370 nan 0.000 0.476 273 L N 0.422 121.554 121.223 -0.152 0.000 2.079 273 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 273 L C 2.420 179.179 176.870 -0.186 0.000 1.081 273 L CA 0.827 55.562 54.840 -0.175 0.000 0.752 273 L CB -0.263 41.662 42.059 -0.223 0.000 0.896 273 L HN 0.038 nan 8.230 nan 0.000 0.433 274 I N -0.891 119.560 120.570 -0.197 0.000 2.193 274 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 274 I C 2.551 178.344 176.117 -0.540 0.000 1.084 274 I CA 1.165 62.315 61.300 -0.250 0.000 1.365 274 I CB -0.300 37.606 38.000 -0.158 0.000 1.064 274 I HN 0.281 nan 8.210 nan 0.000 0.410 275 Q N 0.570 120.028 119.800 -0.569 0.000 2.226 275 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 275 Q C 1.206 176.817 176.000 -0.648 0.000 0.975 275 Q CA 0.966 56.227 55.803 -0.904 0.000 0.866 275 Q CB -0.155 28.362 28.738 -0.369 0.000 0.915 275 Q HN 0.473 nan 8.270 nan 0.000 0.440 276 N N 0.824 119.313 118.700 -0.353 0.000 2.322 276 N HA -0.004 4.736 4.740 -0.000 0.000 0.194 276 N C -0.613 174.795 175.510 -0.169 0.000 1.126 276 N CA 0.213 53.143 53.050 -0.199 0.000 0.845 276 N CB 0.494 38.914 38.487 -0.111 0.000 0.976 276 N HN 0.222 nan 8.380 nan 0.000 0.475 277 Q N 0.087 119.737 119.800 -0.249 0.000 2.452 277 Q HA -0.172 4.168 4.340 -0.000 0.000 0.318 277 Q C 0.286 176.246 176.000 -0.068 0.000 1.386 277 Q CA 0.269 55.989 55.803 -0.139 0.000 0.872 277 Q CB -1.712 26.991 28.738 -0.058 0.000 1.151 277 Q HN 0.438 nan 8.270 nan 0.000 0.417 278 L N -0.312 120.874 121.223 -0.061 0.000 2.616 278 L HA 0.310 4.650 4.340 -0.000 0.000 0.229 278 L C 1.049 177.968 176.870 0.082 0.000 1.110 278 L CA 0.329 55.189 54.840 0.032 0.000 0.884 278 L CB 0.169 42.263 42.059 0.058 0.000 1.115 278 L HN 0.405 nan 8.230 nan 0.000 0.481 279 I N -5.554 115.008 120.570 -0.013 0.000 2.969 279 I HA 0.417 4.587 4.170 -0.000 0.000 0.307 279 I C -0.507 175.562 176.117 -0.080 0.000 1.149 279 I CA -0.755 60.539 61.300 -0.010 0.000 1.008 279 I CB 2.315 40.269 38.000 -0.077 0.000 1.232 279 I HN -0.212 nan 8.210 nan 0.000 0.435 280 D N 1.215 121.554 120.400 -0.103 0.000 2.423 280 D HA 0.144 4.783 4.640 -0.000 0.000 0.212 280 D C -0.792 175.157 176.300 -0.584 0.000 1.060 280 D CA 1.127 54.939 54.000 -0.313 0.000 0.872 280 D CB 0.689 41.309 40.800 -0.300 0.000 1.012 280 D HN 0.453 nan 8.370 nan 0.000 0.503 281 Y N 0.341 120.581 120.300 -0.100 0.000 2.421 281 Y HA 0.374 4.924 4.550 -0.000 0.000 0.339 281 Y C -0.559 175.235 175.900 -0.178 0.000 0.996 281 Y CA -1.135 56.903 58.100 -0.103 0.000 1.046 281 Y CB 2.075 40.502 38.460 -0.056 0.000 1.226 281 Y HN -0.265 nan 8.280 nan 0.000 0.445 282 I N 4.183 124.769 120.570 0.027 0.000 2.321 282 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 282 I C 0.533 176.641 176.117 -0.015 0.000 0.998 282 I CA -0.429 60.855 61.300 -0.027 0.000 1.227 282 I CB 0.749 38.755 38.000 0.011 0.000 1.368 282 I HN 0.610 nan 8.210 nan 0.000 0.466 283 R N 5.813 126.237 120.500 -0.126 0.000 2.317 283 R HA 0.338 4.678 4.340 -0.000 0.000 0.208 283 R C 0.511 176.797 176.300 -0.024 0.000 0.914 283 R CA 0.070 56.118 56.100 -0.086 0.000 1.060 283 R CB -0.405 29.762 30.300 -0.222 0.000 1.015 283 R HN 0.698 nan 8.270 nan 0.000 0.498 284 A N 1.919 124.729 122.820 -0.017 0.000 2.555 284 A HA 0.144 4.464 4.320 -0.000 0.000 0.233 284 A C 0.764 178.374 177.584 0.042 0.000 1.060 284 A CA 0.398 52.455 52.037 0.033 0.000 0.759 284 A CB 0.164 19.211 19.000 0.078 0.000 0.995 284 A HN 0.351 nan 8.150 nan 0.000 0.506 285 T N -1.555 113.033 114.554 0.056 0.000 2.926 285 T HA 0.482 4.832 4.350 -0.000 0.000 0.289 285 T C 0.909 175.602 174.700 -0.012 0.000 1.054 285 T CA -0.123 61.996 62.100 0.031 0.000 1.015 285 T CB 0.999 69.927 68.868 0.100 0.000 1.167 285 T HN 0.425 nan 8.240 nan 0.000 0.526 286 V N 0.880 120.760 119.914 -0.057 0.000 2.407 286 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 286 V C 2.593 178.714 176.094 0.045 0.000 1.055 286 V CA 1.746 64.018 62.300 -0.046 0.000 1.049 286 V CB -0.555 31.233 31.823 -0.058 0.000 0.662 286 V HN 0.756 nan 8.190 nan 0.000 0.455 287 V N 0.465 120.412 119.914 0.055 0.000 2.649 287 V HA 0.029 4.149 4.120 -0.000 0.000 0.248 287 V C 2.299 178.451 176.094 0.097 0.000 1.054 287 V CA 1.995 64.343 62.300 0.079 0.000 1.073 287 V CB -0.027 31.840 31.823 0.072 0.000 0.699 287 V HN 0.539 nan 8.190 nan 0.000 0.463 288 G N -0.686 108.177 108.800 0.105 0.000 2.430 288 G HA2 0.088 4.048 3.960 -0.000 0.000 0.216 288 G HA3 0.088 4.048 3.960 -0.000 0.000 0.216 288 G C 1.066 176.043 174.900 0.129 0.000 1.146 288 G CA 0.667 45.836 45.100 0.114 0.000 0.793 288 G HN 0.748 nan 8.290 nan 0.000 0.537 289 A N -0.179 122.727 122.820 0.144 0.000 2.965 289 A HA 0.566 4.886 4.320 -0.000 0.000 0.304 289 A C 1.385 179.142 177.584 0.288 0.000 1.214 289 A CA 0.647 52.812 52.037 0.213 0.000 0.977 289 A CB -0.650 18.480 19.000 0.217 0.000 1.127 289 A HN 1.487 nan 8.150 nan 0.000 0.572 290 G N -0.922 108.022 108.800 0.240 0.000 2.160 290 G HA2 0.221 4.181 3.960 -0.000 0.000 0.244 290 G HA3 0.221 4.181 3.960 -0.000 0.000 0.244 290 G C 1.376 176.552 174.900 0.460 0.000 1.022 290 G CA 0.510 45.825 45.100 0.359 0.000 0.741 290 G HN 2.554 nan 8.290 nan 0.000 0.508 291 G N -1.723 107.241 108.800 0.275 0.000 2.725 291 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 291 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 291 G C 0.650 175.624 174.900 0.125 0.000 1.357 291 G CA -0.167 45.076 45.100 0.238 0.000 0.866 291 G HN 0.988 nan 8.290 nan 0.000 0.548 292 L N 0.304 121.569 121.223 0.070 0.000 2.046 292 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 292 L C 3.274 180.095 176.870 -0.082 0.000 1.077 292 L CA 2.940 57.703 54.840 -0.128 0.000 0.747 292 L CB -2.176 39.613 42.059 -0.450 0.000 0.896 292 L HN 0.817 nan 8.230 nan 0.000 0.432 293 T N -1.577 113.036 114.554 0.098 0.000 2.665 293 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 293 T C 1.924 176.491 174.700 -0.221 0.000 1.035 293 T CA 2.031 64.127 62.100 -0.007 0.000 1.151 293 T CB -0.235 68.585 68.868 -0.081 0.000 0.862 293 T HN 0.381 nan 8.240 nan 0.000 0.438 294 H N -0.064 118.840 119.070 -0.276 0.000 2.399 294 H HA 0.235 4.791 4.556 -0.000 0.000 0.300 294 H C 1.919 177.164 175.328 -0.139 0.000 1.048 294 H CA 0.610 56.496 56.048 -0.270 0.000 1.370 294 H CB -0.466 29.286 29.762 -0.017 0.000 1.428 294 H HN 0.130 nan 8.280 nan 0.000 0.534 295 L N 0.957 122.117 121.223 -0.105 0.000 2.127 295 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 295 L C 2.486 179.297 176.870 -0.099 0.000 1.089 295 L CA 1.698 56.420 54.840 -0.195 0.000 0.757 295 L CB -0.604 41.229 42.059 -0.377 0.000 0.899 295 L HN 0.221 nan 8.230 nan 0.000 0.434 296 R N -0.762 119.742 120.500 0.006 0.000 2.081 296 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 296 R C 2.396 178.741 176.300 0.075 0.000 1.131 296 R CA 1.600 57.838 56.100 0.231 0.000 0.960 296 R CB -0.133 30.242 30.300 0.126 0.000 0.856 296 R HN 0.342 nan 8.270 nan 0.000 0.436 297 R N -0.038 120.382 120.500 -0.133 0.000 2.092 297 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 297 R C 2.322 178.498 176.300 -0.207 0.000 1.119 297 R CA 1.471 57.450 56.100 -0.201 0.000 0.970 297 R CB -0.229 29.860 30.300 -0.351 0.000 0.864 297 R HN 0.284 nan 8.270 nan 0.000 0.440 298 I N 0.516 120.926 120.570 -0.267 0.000 2.179 298 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 298 I C 2.571 178.661 176.117 -0.044 0.000 1.088 298 I CA 1.306 62.494 61.300 -0.187 0.000 1.357 298 I CB -0.425 37.472 38.000 -0.171 0.000 1.051 298 I HN 0.201 nan 8.210 nan 0.000 0.409 299 A N 0.440 123.293 122.820 0.055 0.000 1.902 299 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 299 A C 1.955 179.563 177.584 0.040 0.000 1.181 299 A CA 2.048 54.156 52.037 0.118 0.000 0.623 299 A CB -0.574 18.612 19.000 0.311 0.000 0.818 299 A HN 0.360 nan 8.150 nan 0.000 0.443 300 D N -0.474 119.950 120.400 0.039 0.000 2.117 300 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 300 D C 1.869 178.165 176.300 -0.006 0.000 0.987 300 D CA 1.307 55.314 54.000 0.013 0.000 0.829 300 D CB -0.405 40.411 40.800 0.027 0.000 0.961 300 D HN 0.362 nan 8.370 nan 0.000 0.460 301 L N 1.089 122.303 121.223 -0.015 0.000 2.046 301 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 301 L C 2.146 179.059 176.870 0.071 0.000 1.077 301 L CA 1.845 56.694 54.840 0.015 0.000 0.747 301 L CB -0.776 41.267 42.059 -0.028 0.000 0.896 301 L HN -0.034 nan 8.230 nan 0.000 0.432 302 A N -0.701 122.139 122.820 0.034 0.000 1.908 302 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 302 A C 2.493 180.099 177.584 0.035 0.000 1.181 302 A CA 2.227 54.289 52.037 0.041 0.000 0.627 302 A CB -1.250 17.752 19.000 0.004 0.000 0.818 302 A HN 0.696 nan 8.150 nan 0.000 0.445 303 S N 0.237 115.931 115.700 -0.010 0.000 2.400 303 S HA -0.127 4.343 4.470 -0.000 0.000 0.232 303 S C 1.799 176.354 174.600 -0.075 0.000 1.025 303 S CA 1.478 59.647 58.200 -0.052 0.000 0.993 303 S CB -0.828 62.327 63.200 -0.074 0.000 0.808 303 S HN 0.476 nan 8.310 nan 0.000 0.478 304 L N -1.086 120.086 121.223 -0.085 0.000 2.265 304 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 304 L C 1.445 178.045 176.870 -0.450 0.000 1.117 304 L CA 1.280 55.967 54.840 -0.256 0.000 0.782 304 L CB -0.492 41.385 42.059 -0.303 0.000 0.914 304 L HN 0.379 nan 8.230 nan 0.000 0.441 305 Y N -1.039 119.221 120.300 -0.067 0.000 2.584 305 Y HA 0.160 4.710 4.550 -0.000 0.000 0.254 305 Y C 0.733 176.578 175.900 -0.092 0.000 1.177 305 Y CA -0.568 57.489 58.100 -0.071 0.000 1.216 305 Y CB 0.198 38.618 38.460 -0.068 0.000 1.172 305 Y HN 0.113 nan 8.280 nan 0.000 0.529 306 Q N -0.795 118.993 119.800 -0.020 0.000 2.494 306 Q HA -0.168 4.172 4.340 -0.000 0.000 0.266 306 Q C -0.497 175.438 176.000 -0.108 0.000 1.053 306 Q CA 0.426 56.187 55.803 -0.069 0.000 1.029 306 Q CB -1.929 26.764 28.738 -0.075 0.000 1.423 306 Q HN 0.168 nan 8.270 nan 0.000 0.516 307 V N 0.859 120.725 119.914 -0.080 0.000 2.607 307 V HA 0.302 4.422 4.120 -0.000 0.000 0.289 307 V C 0.764 176.761 176.094 -0.161 0.000 1.053 307 V CA 0.083 62.291 62.300 -0.153 0.000 0.996 307 V CB 1.506 33.277 31.823 -0.087 0.000 0.995 307 V HN 0.178 nan 8.190 nan 0.000 0.476 308 R N 1.543 121.887 120.500 -0.260 0.000 2.828 308 R HA 0.578 4.918 4.340 -0.000 0.000 0.264 308 R C -0.068 176.261 176.300 0.048 0.000 1.022 308 R CA -0.624 55.400 56.100 -0.126 0.000 1.021 308 R CB 1.612 31.818 30.300 -0.156 0.000 1.163 308 R HN 0.833 nan 8.270 nan 0.000 0.494 309 T N -1.818 112.791 114.554 0.091 0.000 2.897 309 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 309 T C 0.610 175.438 174.700 0.213 0.000 1.004 309 T CA -0.552 61.655 62.100 0.179 0.000 1.106 309 T CB 1.366 70.401 68.868 0.278 0.000 0.949 309 T HN 0.708 nan 8.240 nan 0.000 0.520 310 G N 1.635 110.601 108.800 0.276 0.000 4.632 310 G HA2 0.398 4.358 3.960 -0.000 0.000 0.244 310 G HA3 0.398 4.358 3.960 -0.000 0.000 0.244 310 G C 0.116 175.218 174.900 0.338 0.000 1.070 310 G CA -0.725 44.607 45.100 0.387 0.000 0.791 310 G HN 1.023 nan 8.290 nan 0.000 0.544 311 C N 1.544 121.009 119.300 0.275 0.000 2.334 311 C HA 0.044 4.503 4.460 -0.000 0.000 0.395 311 C C 1.258 176.398 174.990 0.250 0.000 1.507 311 C CA 0.004 59.159 59.018 0.229 0.000 1.494 311 C CB -1.091 26.773 27.740 0.205 0.000 2.509 311 C HN 0.748 nan 8.230 nan 0.000 0.599 312 H N 1.262 120.401 119.070 0.114 0.000 2.871 312 H HA 0.387 4.943 4.556 -0.000 0.000 0.355 312 H C 0.777 176.154 175.328 0.081 0.000 1.092 312 H CA 0.903 57.019 56.048 0.113 0.000 1.420 312 H CB 0.473 30.273 29.762 0.064 0.000 1.400 312 H HN 0.768 nan 8.280 nan 0.000 0.604 313 G N 3.137 111.716 108.800 -0.368 0.000 5.252 313 G HA2 0.490 4.450 3.960 -0.000 0.000 0.214 313 G HA3 0.490 4.450 3.960 -0.000 0.000 0.214 313 G C -0.153 174.524 174.900 -0.372 0.000 0.817 313 G CA 0.150 45.047 45.100 -0.337 0.000 0.715 313 G HN 0.862 nan 8.290 nan 0.000 0.480 314 A N 0.119 122.604 122.820 -0.560 0.000 2.346 314 A HA 0.558 4.878 4.320 -0.000 0.000 0.255 314 A C 1.982 179.468 177.584 -0.163 0.000 1.113 314 A CA 0.815 52.701 52.037 -0.252 0.000 0.798 314 A CB 0.165 19.159 19.000 -0.011 0.000 1.073 314 A HN 0.859 nan 8.150 nan 0.000 0.502 315 T N -1.372 113.124 114.554 -0.097 0.000 3.007 315 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 315 T C 0.792 175.697 174.700 0.342 0.000 1.107 315 T CA 1.400 63.526 62.100 0.043 0.000 1.118 315 T CB -0.486 68.411 68.868 0.048 0.000 0.889 315 T HN 0.747 nan 8.240 nan 0.000 0.506 316 D N 0.585 121.108 120.400 0.205 0.000 2.371 316 D HA 0.007 4.647 4.640 -0.000 0.000 0.234 316 D C -0.033 176.469 176.300 0.337 0.000 1.049 316 D CA -0.050 54.091 54.000 0.235 0.000 0.907 316 D CB -0.154 40.732 40.800 0.143 0.000 0.891 316 D HN 0.328 nan 8.370 nan 0.000 0.531 317 L N 1.841 123.238 121.223 0.290 0.000 2.276 317 L HA 0.176 4.516 4.340 -0.000 0.000 0.286 317 L C 0.601 177.542 176.870 0.117 0.000 1.024 317 L CA -0.821 54.115 54.840 0.159 0.000 0.826 317 L CB 1.463 43.533 42.059 0.019 0.000 1.211 317 L HN -0.017 nan 8.230 nan 0.000 0.422 318 S N 4.086 119.668 115.700 -0.197 0.000 2.587 318 S HA 0.258 4.728 4.470 -0.000 0.000 0.260 318 S C -1.690 172.504 174.600 -0.677 0.000 1.353 318 S CA -0.672 56.931 58.200 -0.996 0.000 0.995 318 S CB 0.423 62.770 63.200 -1.423 0.000 0.912 318 S HN 0.510 nan 8.310 nan 0.000 0.568 319 P HA -0.056 nan 4.420 nan 0.000 0.221 319 P C 1.408 178.569 177.300 -0.232 0.000 1.145 319 P CA 0.600 63.475 63.100 -0.376 0.000 0.795 319 P CB -0.125 31.337 31.700 -0.397 0.000 0.775 320 V N -0.879 118.777 119.914 -0.430 0.000 2.358 320 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 320 V C 2.291 178.225 176.094 -0.267 0.000 1.047 320 V CA 2.409 64.516 62.300 -0.321 0.000 1.035 320 V CB -1.690 29.969 31.823 -0.273 0.000 0.658 320 V HN 0.183 nan 8.190 nan 0.000 0.452 321 T N -0.200 114.226 114.554 -0.214 0.000 2.777 321 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 321 T C 1.905 176.536 174.700 -0.115 0.000 1.040 321 T CA 2.015 64.043 62.100 -0.121 0.000 1.141 321 T CB -0.303 68.518 68.868 -0.078 0.000 0.868 321 T HN 0.332 nan 8.240 nan 0.000 0.444 322 M N 1.679 121.190 119.600 -0.148 0.000 2.108 322 M HA 0.052 4.532 4.480 -0.000 0.000 0.261 322 M C 2.214 178.329 176.300 -0.307 0.000 1.066 322 M CA 1.643 56.792 55.300 -0.252 0.000 1.107 322 M CB -1.114 31.280 32.600 -0.344 0.000 1.356 322 M HN 0.224 nan 8.290 nan 0.000 0.406 323 G N -0.827 107.891 108.800 -0.136 0.000 2.433 323 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 323 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 323 G C 1.578 176.581 174.900 0.173 0.000 1.186 323 G CA 1.123 46.274 45.100 0.085 0.000 0.779 323 G HN 0.578 nan 8.290 nan 0.000 0.543 324 C N 0.957 120.305 119.300 0.080 0.000 2.425 324 C HA 0.159 4.619 4.460 -0.000 0.000 0.277 324 C C 3.548 178.637 174.990 0.164 0.000 1.280 324 C CA 0.820 59.932 59.018 0.157 0.000 1.744 324 C CB -0.974 26.805 27.740 0.065 0.000 1.989 324 C HN 0.573 nan 8.230 nan 0.000 0.491 325 A N 0.210 123.066 122.820 0.060 0.000 1.933 325 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 325 A C 2.105 179.756 177.584 0.112 0.000 1.175 325 A CA 1.421 53.511 52.037 0.088 0.000 0.628 325 A CB -0.540 18.461 19.000 0.001 0.000 0.814 325 A HN 0.628 nan 8.150 nan 0.000 0.444 326 L N -1.663 119.533 121.223 -0.045 0.000 2.109 326 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 326 L C 2.608 179.401 176.870 -0.128 0.000 1.086 326 L CA 0.963 55.696 54.840 -0.178 0.000 0.760 326 L CB -0.692 41.154 42.059 -0.354 0.000 0.910 326 L HN 0.469 nan 8.230 nan 0.000 0.437 327 H N -0.983 118.135 119.070 0.080 0.000 2.357 327 H HA -0.190 4.366 4.556 -0.000 0.000 0.301 327 H C 2.107 177.555 175.328 0.201 0.000 1.082 327 H CA 1.898 58.048 56.048 0.171 0.000 1.342 327 H CB -0.166 29.724 29.762 0.212 0.000 1.389 327 H HN 0.266 nan 8.280 nan 0.000 0.511 328 F N 2.339 122.402 119.950 0.189 0.000 2.102 328 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 328 F C 1.925 177.823 175.800 0.164 0.000 1.105 328 F CA 1.446 59.581 58.000 0.225 0.000 1.239 328 F CB -0.162 38.933 39.000 0.159 0.000 0.991 328 F HN -0.026 nan 8.300 nan 0.000 0.474 329 D N -0.488 119.932 120.400 0.033 0.000 2.178 329 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 329 D C 2.238 178.227 176.300 -0.518 0.000 0.980 329 D CA 1.777 55.616 54.000 -0.268 0.000 0.842 329 D CB -0.573 40.044 40.800 -0.305 0.000 0.948 329 D HN 0.315 nan 8.370 nan 0.000 0.472 330 T N -0.423 113.918 114.554 -0.355 0.000 2.951 330 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 330 T C 1.488 176.044 174.700 -0.240 0.000 1.073 330 T CA 0.817 62.684 62.100 -0.389 0.000 1.134 330 T CB 0.028 68.632 68.868 -0.441 0.000 0.884 330 T HN 0.375 nan 8.240 nan 0.000 0.479 331 W N 1.282 122.416 121.300 -0.276 0.000 2.644 331 W HA 0.410 5.070 4.660 -0.000 0.000 0.279 331 W C 0.395 176.759 176.519 -0.259 0.000 1.164 331 W CA -0.484 56.741 57.345 -0.200 0.000 1.457 331 W CB -0.399 28.996 29.460 -0.108 0.000 1.087 331 W HN -0.164 nan 8.180 nan 0.000 0.573 332 V N 5.258 124.420 119.914 -1.254 0.000 2.583 332 V HA -0.107 4.013 4.120 -0.000 0.000 0.302 332 V C -1.082 174.443 176.094 -0.948 0.000 1.033 332 V CA -0.120 61.158 62.300 -1.704 0.000 1.194 332 V CB 0.963 31.968 31.823 -1.363 0.000 0.879 332 V HN 0.028 nan 8.190 nan 0.000 0.482 333 P HA -0.129 nan 4.420 nan 0.000 0.214 333 P C 0.647 177.791 177.300 -0.259 0.000 1.163 333 P CA 1.387 64.221 63.100 -0.443 0.000 0.883 333 P CB -0.089 31.397 31.700 -0.357 0.000 0.788 334 N N -0.184 118.371 118.700 -0.241 0.000 2.843 334 N HA -0.023 4.717 4.740 -0.000 0.000 0.284 334 N C -0.404 175.073 175.510 -0.055 0.000 1.274 334 N CA -0.403 52.571 53.050 -0.127 0.000 1.045 334 N CB -1.087 37.330 38.487 -0.118 0.000 1.370 334 N HN 0.076 nan 8.380 nan 0.000 0.525 335 F N 0.834 120.678 119.950 -0.178 0.000 2.518 335 F HA 0.462 4.989 4.527 -0.000 0.000 0.359 335 F C 1.194 177.018 175.800 0.040 0.000 1.118 335 F CA 0.073 58.017 58.000 -0.093 0.000 1.287 335 F CB 1.032 39.937 39.000 -0.158 0.000 1.132 335 F HN 0.137 nan 8.300 nan 0.000 0.587 336 G N 5.336 113.665 108.800 -0.785 0.000 2.894 336 G HA2 0.290 4.250 3.960 -0.000 0.000 0.202 336 G HA3 0.290 4.250 3.960 -0.000 0.000 0.202 336 G C -0.408 174.051 174.900 -0.736 0.000 1.130 336 G CA 0.405 45.298 45.100 -0.344 0.000 0.820 336 G HN 0.695 nan 8.290 nan 0.000 0.647 337 I N -1.130 118.870 120.570 -0.950 0.000 2.961 337 I HA 0.439 4.609 4.170 -0.000 0.000 0.303 337 I C -2.280 173.782 176.117 -0.091 0.000 1.505 337 I CA -0.919 60.071 61.300 -0.516 0.000 0.964 337 I CB 2.372 40.197 38.000 -0.293 0.000 1.348 337 I HN 0.158 nan 8.210 nan 0.000 0.508 338 Q N 3.975 123.879 119.800 0.173 0.000 2.321 338 Q HA 0.366 4.706 4.340 -0.000 0.000 0.270 338 Q C -1.241 174.737 176.000 -0.037 0.000 1.032 338 Q CA -0.438 55.472 55.803 0.178 0.000 0.784 338 Q CB 1.711 30.569 28.738 0.200 0.000 1.264 338 Q HN 0.525 nan 8.270 nan 0.000 0.448 339 E N 3.138 123.254 120.200 -0.141 0.000 2.373 339 E HA 0.166 4.516 4.350 -0.000 0.000 0.267 339 E C -1.498 174.945 176.600 -0.262 0.000 1.032 339 E CA -0.309 55.699 56.400 -0.654 0.000 0.889 339 E CB 0.563 30.049 29.700 -0.357 0.000 0.984 339 E HN 0.625 nan 8.360 nan 0.000 0.425 340 Y N 5.057 125.096 120.300 -0.436 0.000 2.322 340 Y HA 0.345 4.895 4.550 -0.000 0.000 0.324 340 Y C -1.477 174.261 175.900 -0.269 0.000 1.027 340 Y CA -1.054 56.882 58.100 -0.274 0.000 1.179 340 Y CB 0.999 39.353 38.460 -0.176 0.000 1.136 340 Y HN 0.543 nan 8.280 nan 0.000 0.449 341 M N 6.771 126.029 119.600 -0.570 0.000 2.181 341 M HA 0.504 4.984 4.480 -0.000 0.000 0.323 341 M C -0.412 175.406 176.300 -0.804 0.000 1.004 341 M CA -0.756 54.124 55.300 -0.699 0.000 0.941 341 M CB 1.719 33.988 32.600 -0.553 0.000 1.579 341 M HN 0.591 nan 8.290 nan 0.000 0.427 342 R N 2.162 122.178 120.500 -0.805 0.000 2.537 342 R HA 0.168 4.508 4.340 -0.000 0.000 0.280 342 R C -0.142 175.993 176.300 -0.276 0.000 1.058 342 R CA -0.037 55.748 56.100 -0.524 0.000 1.057 342 R CB 0.351 30.447 30.300 -0.340 0.000 0.973 342 R HN 0.516 nan 8.270 nan 0.000 0.438 343 H N 0.497 119.570 119.070 0.005 0.000 2.544 343 H HA 0.083 4.639 4.556 -0.000 0.000 0.365 343 H C 0.593 175.964 175.328 0.071 0.000 1.268 343 H CA -0.089 55.998 56.048 0.065 0.000 1.400 343 H CB 1.091 30.911 29.762 0.098 0.000 1.538 343 H HN 0.622 nan 8.280 nan 0.000 0.597 344 T N -2.201 112.494 114.554 0.235 0.000 2.813 344 T HA 0.002 4.352 4.350 -0.000 0.000 0.297 344 T C 1.313 176.098 174.700 0.142 0.000 1.036 344 T CA -0.610 61.573 62.100 0.138 0.000 1.044 344 T CB 1.099 70.023 68.868 0.094 0.000 0.993 344 T HN 0.704 nan 8.240 nan 0.000 0.535 345 E N 0.209 120.472 120.200 0.104 0.000 2.110 345 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 345 E C 1.750 178.402 176.600 0.086 0.000 0.988 345 E CA 1.307 57.769 56.400 0.104 0.000 0.804 345 E CB -0.042 29.709 29.700 0.084 0.000 0.745 345 E HN 0.763 nan 8.360 nan 0.000 0.458 346 E N -0.150 120.074 120.200 0.040 0.000 2.077 346 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 346 E C 2.080 178.658 176.600 -0.037 0.000 0.989 346 E CA 1.765 58.138 56.400 -0.046 0.000 0.800 346 E CB -0.535 29.030 29.700 -0.225 0.000 0.746 346 E HN 0.176 nan 8.360 nan 0.000 0.452 347 T N 1.204 115.786 114.554 0.047 0.000 2.708 347 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 347 T C 1.133 175.951 174.700 0.196 0.000 1.037 347 T CA 1.503 63.695 62.100 0.153 0.000 1.146 347 T CB -0.367 68.619 68.868 0.198 0.000 0.865 347 T HN 0.120 nan 8.240 nan 0.000 0.435 348 D N 1.159 121.678 120.400 0.198 0.000 2.178 348 D HA 0.000 4.640 4.640 -0.000 0.000 0.201 348 D C 2.240 178.663 176.300 0.204 0.000 0.980 348 D CA 1.026 55.200 54.000 0.291 0.000 0.842 348 D CB -0.286 40.711 40.800 0.328 0.000 0.948 348 D HN 0.424 nan 8.370 nan 0.000 0.472 349 A N 0.442 123.335 122.820 0.122 0.000 1.897 349 A HA -0.073 4.246 4.320 -0.000 0.000 0.215 349 A C 2.465 180.071 177.584 0.035 0.000 1.181 349 A CA 0.752 52.834 52.037 0.074 0.000 0.620 349 A CB -0.511 18.535 19.000 0.077 0.000 0.821 349 A HN 0.135 nan 8.150 nan 0.000 0.443 350 V N -1.597 118.309 119.914 -0.013 0.000 2.515 350 V HA -0.087 4.032 4.120 -0.000 0.000 0.250 350 V C 0.439 176.280 176.094 -0.421 0.000 1.058 350 V CA 1.071 63.238 62.300 -0.221 0.000 1.064 350 V CB -0.704 30.917 31.823 -0.336 0.000 0.675 350 V HN 0.488 nan 8.190 nan 0.000 0.461 351 F N 1.522 121.499 119.950 0.045 0.000 2.449 351 F HA 0.400 4.927 4.527 -0.000 0.000 0.329 351 F C -2.240 173.664 175.800 0.174 0.000 1.245 351 F CA -3.058 54.982 58.000 0.067 0.000 1.193 351 F CB 0.481 39.455 39.000 -0.045 0.000 1.425 351 F HN 0.029 nan 8.300 nan 0.000 0.544 352 P HA 0.001 nan 4.420 nan 0.000 0.264 352 P C -0.679 176.713 177.300 0.153 0.000 1.193 352 P CA 0.672 63.827 63.100 0.092 0.000 0.763 352 P CB 0.623 32.352 31.700 0.048 0.000 0.810 353 H N 0.607 119.680 119.070 0.005 0.000 2.946 353 H HA 0.430 4.986 4.556 -0.000 0.000 0.365 353 H C -1.236 174.075 175.328 -0.029 0.000 1.197 353 H CA -0.846 55.186 56.048 -0.027 0.000 1.131 353 H CB 1.425 31.014 29.762 -0.287 0.000 1.849 353 H HN 0.200 nan 8.280 nan 0.000 0.555 354 D N 1.295 121.826 120.400 0.218 0.000 2.736 354 D HA 0.180 4.820 4.640 -0.000 0.000 0.293 354 D C -1.290 175.276 176.300 0.443 0.000 1.241 354 D CA -0.282 53.883 54.000 0.274 0.000 0.965 354 D CB -0.753 40.226 40.800 0.298 0.000 0.992 354 D HN 0.455 nan 8.370 nan 0.000 0.510 355 Y N -0.625 119.949 120.300 0.456 0.000 2.558 355 Y HA 0.703 5.253 4.550 -0.000 0.000 0.333 355 Y C -1.725 174.457 175.900 0.471 0.000 1.125 355 Y CA -1.814 56.460 58.100 0.289 0.000 1.039 355 Y CB 0.340 38.849 38.460 0.082 0.000 1.331 355 Y HN 0.024 nan 8.280 nan 0.000 0.456 356 W N 2.599 124.153 121.300 0.423 0.000 3.075 356 W HA 0.790 5.450 4.660 -0.000 0.000 0.334 356 W C -2.535 174.204 176.519 0.367 0.000 1.243 356 W CA -1.924 55.628 57.345 0.345 0.000 1.170 356 W CB 1.125 30.697 29.460 0.187 0.000 1.452 356 W HN 0.685 nan 8.180 nan 0.000 0.572 357 F N 2.377 122.529 119.950 0.337 0.000 2.450 357 F HA 0.637 5.164 4.527 -0.000 0.000 0.332 357 F C -0.529 175.459 175.800 0.314 0.000 1.093 357 F CA -0.884 57.222 58.000 0.177 0.000 1.003 357 F CB 1.705 40.808 39.000 0.171 0.000 1.151 357 F HN 0.570 nan 8.300 nan 0.000 0.474 358 E N 4.834 124.666 120.200 -0.613 0.000 2.349 358 E HA 0.199 4.549 4.350 -0.000 0.000 0.290 358 E C -1.181 175.093 176.600 -0.543 0.000 0.901 358 E CA -0.743 55.450 56.400 -0.345 0.000 0.800 358 E CB 0.751 30.492 29.700 0.068 0.000 1.303 358 E HN 0.554 nan 8.360 nan 0.000 0.397 359 K N 2.558 122.668 120.400 -0.482 0.000 3.490 359 K HA -0.239 4.081 4.320 -0.000 0.000 0.273 359 K C 0.529 176.898 176.600 -0.385 0.000 0.916 359 K CA 1.250 57.363 56.287 -0.290 0.000 0.718 359 K CB -2.008 30.427 32.500 -0.109 0.000 1.477 359 K HN 1.118 nan 8.250 nan 0.000 0.452 360 G N -0.514 107.882 108.800 -0.673 0.000 2.159 360 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.256 360 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.256 360 G C -0.199 174.470 174.900 -0.386 0.000 0.977 360 G CA 0.661 45.479 45.100 -0.470 0.000 0.652 360 G HN 0.493 nan 8.290 nan 0.000 0.531 361 E N -0.860 118.968 120.200 -0.621 0.000 2.340 361 E HA 0.676 5.026 4.350 -0.000 0.000 0.273 361 E C -0.387 175.864 176.600 -0.582 0.000 0.891 361 E CA -0.899 55.188 56.400 -0.523 0.000 0.757 361 E CB 2.083 31.432 29.700 -0.584 0.000 1.231 361 E HN 0.158 nan 8.360 nan 0.000 0.439 362 L N 2.142 123.001 121.223 -0.606 0.000 2.344 362 L HA 0.588 4.928 4.340 -0.000 0.000 0.272 362 L C -1.028 175.274 176.870 -0.947 0.000 1.035 362 L CA -0.669 53.843 54.840 -0.547 0.000 0.807 362 L CB 0.773 42.536 42.059 -0.494 0.000 1.237 362 L HN 0.467 nan 8.230 nan 0.000 0.442 363 F N 1.159 120.642 119.950 -0.778 0.000 2.569 363 F HA 0.456 4.983 4.527 -0.000 0.000 0.312 363 F C -0.145 175.103 175.800 -0.920 0.000 1.109 363 F CA -0.723 56.693 58.000 -0.973 0.000 0.919 363 F CB 2.047 40.152 39.000 -1.492 0.000 1.211 363 F HN 0.001 nan 8.300 nan 0.000 0.446 364 V N 2.764 122.404 119.914 -0.457 0.000 2.617 364 V HA 0.807 4.927 4.120 -0.000 0.000 0.298 364 V C 0.301 176.358 176.094 -0.061 0.000 1.048 364 V CA -0.165 61.973 62.300 -0.270 0.000 0.964 364 V CB 1.514 33.060 31.823 -0.461 0.000 1.004 364 V HN 0.856 nan 8.190 nan 0.000 0.466 365 G N 3.307 112.240 108.800 0.221 0.000 2.563 365 G HA2 0.306 4.266 3.960 -0.000 0.000 0.283 365 G HA3 0.306 4.266 3.960 -0.000 0.000 0.283 365 G C 0.241 175.369 174.900 0.381 0.000 1.309 365 G CA -0.209 45.140 45.100 0.415 0.000 1.022 365 G HN 0.702 nan 8.290 nan 0.000 0.501 366 E N -0.368 120.031 120.200 0.332 0.000 2.474 366 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 366 E C 0.609 177.329 176.600 0.201 0.000 1.039 366 E CA 0.085 56.651 56.400 0.276 0.000 0.881 366 E CB 0.102 29.928 29.700 0.210 0.000 0.970 366 E HN 0.287 nan 8.360 nan 0.000 0.486 367 T N 3.816 118.500 114.554 0.216 0.000 2.867 367 T HA 0.099 4.449 4.350 -0.000 0.000 0.297 367 T C -2.379 172.389 174.700 0.114 0.000 0.989 367 T CA -0.915 61.275 62.100 0.150 0.000 1.159 367 T CB 0.624 69.591 68.868 0.165 0.000 0.928 367 T HN -0.063 nan 8.240 nan 0.000 0.538 368 P HA 0.304 nan 4.420 nan 0.000 0.266 368 P C 0.777 178.046 177.300 -0.052 0.000 1.193 368 P CA 0.895 63.984 63.100 -0.019 0.000 0.770 368 P CB 0.268 31.947 31.700 -0.036 0.000 0.836 369 G N 2.409 111.143 108.800 -0.110 0.000 2.587 369 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.212 369 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.212 369 G C 0.285 175.059 174.900 -0.210 0.000 1.327 369 G CA 0.237 45.223 45.100 -0.190 0.000 0.898 369 G HN 0.724 nan 8.290 nan 0.000 0.551 370 H N -0.089 118.945 119.070 -0.060 0.000 2.539 370 H HA 0.452 5.008 4.556 -0.000 0.000 0.267 370 H C 2.046 177.534 175.328 0.267 0.000 0.982 370 H CA 0.985 56.986 56.048 -0.078 0.000 1.146 370 H CB -0.175 29.636 29.762 0.082 0.000 1.382 370 H HN 2.373 nan 8.280 nan 0.000 0.577 371 G N -0.268 108.771 108.800 0.399 0.000 2.179 371 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 371 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 371 G C -0.074 175.093 174.900 0.445 0.000 0.977 371 G CA 0.342 45.692 45.100 0.416 0.000 0.641 371 G HN 0.459 nan 8.290 nan 0.000 0.533 372 V N 0.147 120.441 119.914 0.633 0.000 2.769 372 V HA 0.861 4.981 4.120 -0.000 0.000 0.312 372 V C -0.058 176.324 176.094 0.480 0.000 1.058 372 V CA -0.609 61.986 62.300 0.490 0.000 0.952 372 V CB 2.020 34.047 31.823 0.341 0.000 1.019 372 V HN 0.287 nan 8.190 nan 0.000 0.445 373 D N 0.737 121.367 120.400 0.383 0.000 2.652 373 D HA 0.550 5.190 4.640 -0.000 0.000 0.285 373 D C -1.537 174.944 176.300 0.302 0.000 1.173 373 D CA -0.452 53.757 54.000 0.348 0.000 0.981 373 D CB 2.742 43.704 40.800 0.269 0.000 1.440 373 D HN 0.530 nan 8.370 nan 0.000 0.485 374 I N 1.078 121.764 120.570 0.193 0.000 2.466 374 I HA 0.230 4.399 4.170 -0.000 0.000 0.289 374 I C -1.254 174.830 176.117 -0.055 0.000 1.026 374 I CA -0.614 60.679 61.300 -0.012 0.000 1.078 374 I CB 1.697 39.691 38.000 -0.011 0.000 1.249 374 I HN 0.119 nan 8.210 nan 0.000 0.429 375 D N 7.036 127.362 120.400 -0.124 0.000 2.422 375 D HA 0.101 4.741 4.640 -0.000 0.000 0.227 375 D C 0.907 177.157 176.300 -0.084 0.000 1.190 375 D CA 0.153 54.112 54.000 -0.069 0.000 0.905 375 D CB 0.907 41.678 40.800 -0.047 0.000 1.034 375 D HN 0.587 nan 8.370 nan 0.000 0.507 376 E N 2.173 122.334 120.200 -0.065 0.000 2.118 376 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 376 E C 1.378 177.958 176.600 -0.034 0.000 0.992 376 E CA 0.812 57.180 56.400 -0.054 0.000 0.804 376 E CB 0.281 29.949 29.700 -0.054 0.000 0.741 376 E HN 0.638 nan 8.360 nan 0.000 0.458 377 E N 0.700 120.883 120.200 -0.029 0.000 2.077 377 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 377 E C 2.104 178.692 176.600 -0.020 0.000 0.989 377 E CA 0.632 57.018 56.400 -0.023 0.000 0.800 377 E CB 0.058 29.747 29.700 -0.019 0.000 0.746 377 E HN 0.104 nan 8.360 nan 0.000 0.452 378 L N 0.648 121.867 121.223 -0.006 0.000 2.109 378 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 378 L C 2.219 179.139 176.870 0.084 0.000 1.086 378 L CA 1.916 56.773 54.840 0.030 0.000 0.760 378 L CB -0.675 41.423 42.059 0.064 0.000 0.910 378 L HN 0.174 nan 8.230 nan 0.000 0.437 379 A N -0.283 122.567 122.820 0.050 0.000 1.940 379 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 379 A C 2.375 180.026 177.584 0.110 0.000 1.176 379 A CA 1.615 53.708 52.037 0.093 0.000 0.631 379 A CB -1.095 17.887 19.000 -0.029 0.000 0.814 379 A HN 0.534 nan 8.150 nan 0.000 0.446 380 A N -0.546 122.292 122.820 0.030 0.000 2.172 380 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 380 A C 1.879 179.437 177.584 -0.044 0.000 1.154 380 A CA 1.470 53.512 52.037 0.007 0.000 0.701 380 A CB -0.350 18.644 19.000 -0.011 0.000 0.789 380 A HN 0.567 nan 8.150 nan 0.000 0.465 381 K N -1.472 118.846 120.400 -0.138 0.000 2.426 381 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 381 K C -0.936 175.362 176.600 -0.502 0.000 1.028 381 K CA 0.324 56.401 56.287 -0.350 0.000 1.047 381 K CB 0.125 32.319 32.500 -0.510 0.000 0.821 381 K HN 0.578 nan 8.250 nan 0.000 0.513 382 Y N 1.722 122.039 120.300 0.030 0.000 2.805 382 Y HA 0.229 4.779 4.550 -0.000 0.000 0.339 382 Y C -2.367 173.565 175.900 0.054 0.000 1.012 382 Y CA -3.337 54.787 58.100 0.040 0.000 1.262 382 Y CB 0.601 39.093 38.460 0.054 0.000 1.100 382 Y HN -0.040 nan 8.280 nan 0.000 0.559 383 P HA -0.064 nan 4.420 nan 0.000 0.271 383 P C -0.368 177.024 177.300 0.153 0.000 1.218 383 P CA -0.155 63.025 63.100 0.134 0.000 0.780 383 P CB 1.107 32.858 31.700 0.085 0.000 0.901 384 Y N 2.806 123.137 120.300 0.052 0.000 2.811 384 Y HA 0.024 4.574 4.550 -0.000 0.000 0.334 384 Y C 0.447 176.354 175.900 0.012 0.000 1.247 384 Y CA 0.740 58.857 58.100 0.029 0.000 1.526 384 Y CB 0.391 38.862 38.460 0.019 0.000 1.284 384 Y HN 0.323 nan 8.280 nan 0.000 0.586 385 K N 8.300 128.241 120.400 -0.766 0.000 2.601 385 K HA 0.394 4.714 4.320 -0.000 0.000 0.249 385 K C -2.949 173.151 176.600 -0.834 0.000 0.966 385 K CA -2.202 53.733 56.287 -0.587 0.000 0.827 385 K CB 1.570 33.914 32.500 -0.260 0.000 1.178 385 K HN 0.374 nan 8.250 nan 0.000 0.437 386 P HA -0.021 nan 4.420 nan 0.000 0.262 386 P C -1.538 175.571 177.300 -0.317 0.000 1.182 386 P CA 0.188 63.018 63.100 -0.451 0.000 0.761 386 P CB 0.813 32.426 31.700 -0.144 0.000 0.795 387 A N 3.567 126.171 122.820 -0.359 0.000 2.459 387 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 387 A C -1.690 175.728 177.584 -0.276 0.000 1.039 387 A CA -0.454 51.452 52.037 -0.217 0.000 0.698 387 A CB 0.851 19.741 19.000 -0.183 0.000 1.261 387 A HN 0.384 nan 8.150 nan 0.000 0.405 388 Y N 1.227 121.475 120.300 -0.088 0.000 2.487 388 Y HA 0.602 5.152 4.550 -0.000 0.000 0.337 388 Y C 0.461 176.264 175.900 -0.161 0.000 1.076 388 Y CA -0.629 57.413 58.100 -0.097 0.000 1.115 388 Y CB 1.622 40.028 38.460 -0.090 0.000 1.235 388 Y HN 0.614 nan 8.280 nan 0.000 0.468 389 L N 4.026 125.236 121.223 -0.022 0.000 2.453 389 L HA 0.315 4.655 4.340 -0.000 0.000 0.261 389 L C -2.136 174.471 176.870 -0.437 0.000 1.179 389 L CA -1.726 52.943 54.840 -0.285 0.000 0.813 389 L CB 0.545 42.455 42.059 -0.247 0.000 1.110 389 L HN 0.379 nan 8.230 nan 0.000 0.466 390 P HA 0.162 nan 4.420 nan 0.000 0.274 390 P C -1.215 175.683 177.300 -0.671 0.000 1.256 390 P CA -0.334 62.299 63.100 -0.778 0.000 0.795 390 P CB 0.876 31.999 31.700 -0.962 0.000 1.038 391 V N -3.062 116.680 119.914 -0.286 0.000 3.046 391 V HA 0.954 5.074 4.120 -0.000 0.000 0.316 391 V C -0.833 175.337 176.094 0.128 0.000 1.104 391 V CA -1.393 60.892 62.300 -0.025 0.000 1.006 391 V CB 1.517 33.338 31.823 -0.005 0.000 1.058 391 V HN 0.626 nan 8.190 nan 0.000 0.440 392 A N 2.678 125.655 122.820 0.263 0.000 2.386 392 A HA 0.948 5.268 4.320 -0.000 0.000 0.311 392 A C -0.359 177.401 177.584 0.294 0.000 1.068 392 A CA -0.943 51.285 52.037 0.319 0.000 0.743 392 A CB 1.634 20.881 19.000 0.412 0.000 1.258 392 A HN 0.926 nan 8.150 nan 0.000 0.429 393 R N 1.306 121.954 120.500 0.247 0.000 2.744 393 R HA 0.585 4.925 4.340 -0.000 0.000 0.279 393 R C -0.752 175.634 176.300 0.144 0.000 0.977 393 R CA -0.757 55.461 56.100 0.196 0.000 0.906 393 R CB 1.838 32.210 30.300 0.120 0.000 1.197 393 R HN 0.707 nan 8.270 nan 0.000 0.463 394 L N 1.526 122.778 121.223 0.048 0.000 2.482 394 L HA 0.125 4.465 4.340 -0.000 0.000 0.242 394 L C 1.639 178.482 176.870 -0.044 0.000 1.210 394 L CA -0.043 54.752 54.840 -0.075 0.000 0.819 394 L CB 0.391 42.304 42.059 -0.244 0.000 1.203 394 L HN 0.673 nan 8.230 nan 0.000 0.495 395 E N 0.532 120.681 120.200 -0.085 0.000 2.204 395 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 395 E C 0.851 177.423 176.600 -0.046 0.000 0.990 395 E CA 1.342 57.704 56.400 -0.064 0.000 0.821 395 E CB -0.103 29.544 29.700 -0.089 0.000 0.750 395 E HN 0.681 nan 8.360 nan 0.000 0.477 396 D N -0.775 119.594 120.400 -0.052 0.000 2.340 396 D HA 0.024 4.664 4.640 -0.000 0.000 0.220 396 D C 1.279 177.572 176.300 -0.011 0.000 1.039 396 D CA 0.732 54.712 54.000 -0.032 0.000 0.866 396 D CB 0.396 41.174 40.800 -0.037 0.000 0.913 396 D HN 0.219 nan 8.370 nan 0.000 0.523 397 G N -0.485 108.314 108.800 -0.001 0.000 2.194 397 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.236 397 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.236 397 G C 0.421 175.348 174.900 0.045 0.000 0.987 397 G CA 0.104 45.217 45.100 0.022 0.000 0.635 397 G HN 0.422 nan 8.290 nan 0.000 0.520 398 T N 2.196 116.774 114.554 0.040 0.000 2.871 398 T HA 0.362 4.711 4.350 -0.000 0.000 0.296 398 T C 0.694 175.496 174.700 0.171 0.000 0.998 398 T CA 0.558 62.711 62.100 0.089 0.000 1.162 398 T CB 0.879 69.784 68.868 0.061 0.000 0.947 398 T HN 0.405 nan 8.240 nan 0.000 0.536 399 M N 4.852 124.568 119.600 0.193 0.000 2.246 399 M HA 0.237 4.716 4.480 -0.000 0.000 0.350 399 M C -0.536 176.002 176.300 0.396 0.000 1.406 399 M CA 0.183 55.616 55.300 0.222 0.000 1.089 399 M CB -0.071 32.615 32.600 0.144 0.000 1.782 399 M HN 0.706 nan 8.290 nan 0.000 0.457 400 W N 3.727 125.069 121.300 0.070 0.000 3.518 400 W HA 0.418 5.077 4.660 -0.000 0.000 0.331 400 W C -0.707 175.845 176.519 0.055 0.000 1.205 400 W CA -0.927 56.455 57.345 0.062 0.000 0.956 400 W CB 1.494 31.003 29.460 0.082 0.000 1.645 400 W HN 0.383 nan 8.180 nan 0.000 0.615 401 N N 1.723 120.255 118.700 -0.279 0.000 2.419 401 N HA 0.108 4.848 4.740 -0.000 0.000 0.277 401 N C -0.729 174.796 175.510 0.026 0.000 1.006 401 N CA -0.280 52.647 53.050 -0.204 0.000 0.923 401 N CB 1.349 39.581 38.487 -0.426 0.000 1.140 401 N HN 0.359 nan 8.380 nan 0.000 0.488 402 W N 0.000 121.304 121.300 0.007 0.000 2.388 402 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 402 W CA 0.000 57.394 57.345 0.082 0.000 1.226 402 W CB 0.000 29.505 29.460 0.075 0.000 1.126 402 W HN 0.000 nan 8.180 nan 0.000 0.535