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 3ag2_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.827 175.800 0.045 0.000 0.967 2 F CA 0.000 58.057 58.000 0.095 0.000 1.383 2 F CB 0.000 39.054 39.000 0.089 0.000 1.145 3 I N 1.760 122.408 120.570 0.130 0.000 2.163 3 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 3 I C 1.703 177.489 176.117 -0.552 0.000 1.085 3 I CA 1.814 62.989 61.300 -0.209 0.000 1.347 3 I CB -0.535 37.295 38.000 -0.284 0.000 1.044 3 I HN 0.298 nan 8.210 nan 0.000 0.408 4 N N 0.674 119.123 118.700 -0.417 0.000 2.104 4 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 4 N C 1.883 177.244 175.510 -0.250 0.000 1.024 4 N CA 1.278 54.159 53.050 -0.281 0.000 0.853 4 N CB -0.444 37.993 38.487 -0.083 0.000 1.008 4 N HN 0.360 nan 8.380 nan 0.000 0.424 5 R N -0.775 119.502 120.500 -0.372 0.000 2.073 5 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 5 R C 1.356 177.168 176.300 -0.814 0.000 1.120 5 R CA 1.258 56.977 56.100 -0.634 0.000 0.967 5 R CB -0.107 29.703 30.300 -0.817 0.000 0.862 5 R HN 0.251 nan 8.270 nan 0.000 0.436 6 W N -1.022 120.078 121.300 -0.333 0.000 2.907 6 W HA 0.183 4.843 4.660 -0.000 0.000 0.271 6 W C 1.222 177.760 176.519 0.031 0.000 1.253 6 W CA -0.546 56.640 57.345 -0.265 0.000 1.501 6 W CB 0.331 29.459 29.460 -0.553 0.000 1.047 6 W HN 0.055 nan 8.180 nan 0.000 0.610 7 L N -1.353 119.907 121.223 0.062 0.000 2.408 7 L HA 0.170 4.510 4.340 -0.000 0.000 0.215 7 L C 0.767 177.850 176.870 0.354 0.000 1.081 7 L CA 0.970 55.861 54.840 0.086 0.000 0.840 7 L CB -0.633 41.247 42.059 -0.298 0.000 1.002 7 L HN -0.131 nan 8.230 nan 0.000 0.468 8 F N -1.313 118.644 119.950 0.011 0.000 2.791 8 F HA 0.390 4.917 4.527 -0.000 0.000 0.308 8 F C 1.238 177.029 175.800 -0.013 0.000 1.138 8 F CA -1.153 56.840 58.000 -0.012 0.000 1.294 8 F CB -0.886 38.087 39.000 -0.045 0.000 0.975 8 F HN -0.190 nan 8.300 nan 0.000 0.512 9 S N 0.819 116.620 115.700 0.167 0.000 2.584 9 S HA 0.285 4.755 4.470 -0.000 0.000 0.270 9 S C 1.021 175.639 174.600 0.030 0.000 1.346 9 S CA 0.552 58.757 58.200 0.009 0.000 1.018 9 S CB 0.487 63.617 63.200 -0.117 0.000 0.899 9 S HN 0.438 nan 8.310 nan 0.000 0.542 10 T N 0.658 115.198 114.554 -0.024 0.000 3.604 10 T HA 0.316 4.666 4.350 -0.000 0.000 0.305 10 T C -0.390 174.250 174.700 -0.101 0.000 0.978 10 T CA -0.725 61.362 62.100 -0.022 0.000 0.999 10 T CB -0.593 68.286 68.868 0.017 0.000 1.204 10 T HN 0.530 nan 8.240 nan 0.000 0.476 11 N N 1.339 119.904 118.700 -0.225 0.000 2.342 11 N HA 0.180 4.920 4.740 -0.000 0.000 0.293 11 N C 0.981 176.237 175.510 -0.423 0.000 1.026 11 N CA -0.313 52.471 53.050 -0.444 0.000 0.857 11 N CB 1.673 39.633 38.487 -0.879 0.000 1.256 11 N HN 0.552 nan 8.380 nan 0.000 0.484 12 H N 3.210 122.027 119.070 -0.423 0.000 2.421 12 H HA 0.012 4.568 4.556 -0.000 0.000 0.298 12 H C 1.080 176.044 175.328 -0.606 0.000 1.087 12 H CA 1.415 57.228 56.048 -0.392 0.000 1.330 12 H CB 0.327 29.906 29.762 -0.304 0.000 1.388 12 H HN 0.495 nan 8.280 nan 0.000 0.526 13 K N 0.447 119.928 120.400 -1.531 0.000 1.984 13 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 13 K C 1.814 177.693 176.600 -1.201 0.000 1.046 13 K CA 1.507 56.669 56.287 -1.876 0.000 0.934 13 K CB -0.080 31.277 32.500 -1.905 0.000 0.717 13 K HN 0.272 nan 8.250 nan 0.000 0.438 14 D N 1.168 121.093 120.400 -0.792 0.000 2.116 14 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 14 D C 1.922 178.061 176.300 -0.270 0.000 0.998 14 D CA 1.096 54.846 54.000 -0.418 0.000 0.836 14 D CB -0.333 40.084 40.800 -0.638 0.000 0.951 14 D HN 0.144 nan 8.370 nan 0.000 0.449 15 I N 0.791 121.160 120.570 -0.334 0.000 2.163 15 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 15 I C 2.513 178.573 176.117 -0.096 0.000 1.085 15 I CA 1.530 62.688 61.300 -0.235 0.000 1.347 15 I CB -0.482 37.451 38.000 -0.113 0.000 1.044 15 I HN 0.052 nan 8.210 nan 0.000 0.408 16 G N -0.259 108.437 108.800 -0.173 0.000 2.422 16 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 16 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 16 G C 1.639 176.584 174.900 0.075 0.000 1.146 16 G CA 1.367 46.442 45.100 -0.042 0.000 0.769 16 G HN 0.295 nan 8.290 nan 0.000 0.547 17 T N 1.404 115.969 114.554 0.018 0.000 2.746 17 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 17 T C 2.446 177.165 174.700 0.032 0.000 1.039 17 T CA 0.935 63.141 62.100 0.176 0.000 1.142 17 T CB -0.205 68.828 68.868 0.275 0.000 0.866 17 T HN 0.181 nan 8.240 nan 0.000 0.444 18 L N -0.477 120.643 121.223 -0.172 0.000 2.012 18 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 18 L C 2.382 179.056 176.870 -0.327 0.000 1.073 18 L CA 1.627 56.132 54.840 -0.557 0.000 0.748 18 L CB -0.720 40.469 42.059 -1.451 0.000 0.891 18 L HN 0.242 nan 8.230 nan 0.000 0.431 19 Y N -0.103 120.096 120.300 -0.169 0.000 2.181 19 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 19 Y C 2.420 178.475 175.900 0.259 0.000 1.146 19 Y CA 1.329 59.549 58.100 0.200 0.000 1.164 19 Y CB -0.346 38.207 38.460 0.156 0.000 0.982 19 Y HN 0.052 nan 8.280 nan 0.000 0.515 20 L N -1.015 120.402 121.223 0.324 0.000 2.046 20 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 20 L C 2.223 179.260 176.870 0.277 0.000 1.077 20 L CA 1.187 56.180 54.840 0.255 0.000 0.747 20 L CB -0.653 41.513 42.059 0.178 0.000 0.896 20 L HN 0.259 nan 8.230 nan 0.000 0.432 21 L N -1.414 119.955 121.223 0.243 0.000 2.027 21 L HA -0.225 4.115 4.340 -0.000 0.000 0.206 21 L C 2.533 179.597 176.870 0.322 0.000 1.074 21 L CA 1.239 56.214 54.840 0.225 0.000 0.745 21 L CB -0.501 41.628 42.059 0.116 0.000 0.898 21 L HN 0.155 nan 8.230 nan 0.000 0.433 22 F N 0.794 120.888 119.950 0.240 0.000 2.095 22 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 22 F C 2.177 178.211 175.800 0.391 0.000 1.104 22 F CA 1.767 59.965 58.000 0.329 0.000 1.232 22 F CB -0.418 38.813 39.000 0.385 0.000 0.987 22 F HN -0.008 nan 8.300 nan 0.000 0.475 23 G N -0.613 108.515 108.800 0.547 0.000 2.448 23 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 23 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 23 G C 1.755 176.790 174.900 0.227 0.000 1.135 23 G CA 0.562 45.896 45.100 0.391 0.000 0.784 23 G HN 0.611 nan 8.290 nan 0.000 0.543 24 A N 0.315 123.261 122.820 0.209 0.000 1.883 24 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 24 A C 2.121 179.779 177.584 0.125 0.000 1.186 24 A CA 1.605 53.715 52.037 0.121 0.000 0.624 24 A CB -0.788 18.280 19.000 0.114 0.000 0.822 24 A HN 0.520 nan 8.150 nan 0.000 0.444 25 W N 0.453 121.757 121.300 0.007 0.000 2.335 25 W HA -0.163 4.497 4.660 -0.000 0.000 0.311 25 W C 2.541 179.068 176.519 0.014 0.000 1.213 25 W CA 2.514 59.846 57.345 -0.022 0.000 1.274 25 W CB -0.243 29.176 29.460 -0.068 0.000 1.148 25 W HN 0.352 nan 8.180 nan 0.000 0.498 26 A N 0.134 123.076 122.820 0.203 0.000 2.019 26 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 26 A C 2.156 179.789 177.584 0.082 0.000 1.164 26 A CA 1.779 53.954 52.037 0.231 0.000 0.644 26 A CB -1.557 17.529 19.000 0.143 0.000 0.805 26 A HN 0.415 nan 8.150 nan 0.000 0.449 27 G N -1.163 107.665 108.800 0.046 0.000 2.448 27 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 27 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 27 G C 1.428 176.312 174.900 -0.026 0.000 1.135 27 G CA 1.044 46.162 45.100 0.030 0.000 0.784 27 G HN 0.341 nan 8.290 nan 0.000 0.543 28 M N 0.599 120.119 119.600 -0.134 0.000 2.156 28 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 28 M C 2.784 178.965 176.300 -0.198 0.000 1.067 28 M CA 0.658 55.838 55.300 -0.201 0.000 1.131 28 M CB -1.148 31.240 32.600 -0.354 0.000 1.368 28 M HN 0.097 nan 8.290 nan 0.000 0.416 29 V N 0.348 120.100 119.914 -0.270 0.000 2.332 29 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 29 V C 2.560 178.680 176.094 0.043 0.000 1.055 29 V CA 2.156 64.374 62.300 -0.137 0.000 1.038 29 V CB -1.750 30.049 31.823 -0.040 0.000 0.651 29 V HN 0.586 nan 8.190 nan 0.000 0.450 30 G N -1.151 107.701 108.800 0.087 0.000 2.453 30 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 30 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 30 G C 1.641 176.669 174.900 0.212 0.000 1.147 30 G CA 1.030 46.232 45.100 0.169 0.000 0.802 30 G HN 0.461 nan 8.290 nan 0.000 0.535 31 T N 1.859 116.480 114.554 0.111 0.000 2.737 31 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 31 T C 2.843 177.575 174.700 0.053 0.000 1.038 31 T CA 1.440 63.595 62.100 0.093 0.000 1.144 31 T CB -0.354 68.538 68.868 0.041 0.000 0.866 31 T HN 0.325 nan 8.240 nan 0.000 0.434 32 A N 1.326 124.154 122.820 0.014 0.000 1.908 32 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 32 A C 2.312 179.914 177.584 0.029 0.000 1.181 32 A CA 1.316 53.351 52.037 -0.003 0.000 0.627 32 A CB -0.967 18.012 19.000 -0.035 0.000 0.818 32 A HN 0.473 nan 8.150 nan 0.000 0.445 33 L N 0.290 121.556 121.223 0.072 0.000 2.042 33 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 33 L C 3.061 179.916 176.870 -0.025 0.000 1.076 33 L CA 1.794 56.681 54.840 0.078 0.000 0.749 33 L CB -0.490 41.682 42.059 0.188 0.000 0.893 33 L HN 0.636 nan 8.230 nan 0.000 0.432 34 S N -0.302 115.359 115.700 -0.065 0.000 2.402 34 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 34 S C 1.956 176.517 174.600 -0.065 0.000 1.021 34 S CA 0.767 58.821 58.200 -0.243 0.000 0.974 34 S CB -0.477 62.663 63.200 -0.099 0.000 0.800 34 S HN 0.366 nan 8.310 nan 0.000 0.484 35 L N 0.439 121.667 121.223 0.008 0.000 2.072 35 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 35 L C 2.609 179.535 176.870 0.094 0.000 1.079 35 L CA 0.958 55.839 54.840 0.069 0.000 0.752 35 L CB -0.513 41.571 42.059 0.043 0.000 0.906 35 L HN 0.312 nan 8.230 nan 0.000 0.436 36 L N -0.463 120.798 121.223 0.063 0.000 2.131 36 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 36 L C 2.406 179.348 176.870 0.121 0.000 1.092 36 L CA 1.294 56.186 54.840 0.086 0.000 0.759 36 L CB -0.304 41.793 42.059 0.063 0.000 0.903 36 L HN 0.224 nan 8.230 nan 0.000 0.435 37 I N -0.980 119.634 120.570 0.073 0.000 2.202 37 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 37 I C 2.662 178.914 176.117 0.225 0.000 1.091 37 I CA 1.092 62.489 61.300 0.162 0.000 1.368 37 I CB -0.270 37.733 38.000 0.006 0.000 1.058 37 I HN 0.185 nan 8.210 nan 0.000 0.410 38 R N 0.650 121.218 120.500 0.115 0.000 2.148 38 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 38 R C 2.292 178.641 176.300 0.082 0.000 1.088 38 R CA 1.180 57.329 56.100 0.082 0.000 0.985 38 R CB -0.361 29.952 30.300 0.022 0.000 0.880 38 R HN 0.344 nan 8.270 nan 0.000 0.451 39 A N 1.225 124.113 122.820 0.113 0.000 1.898 39 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 39 A C 2.055 179.690 177.584 0.084 0.000 1.181 39 A CA 1.571 53.663 52.037 0.091 0.000 0.620 39 A CB -0.285 18.793 19.000 0.130 0.000 0.819 39 A HN 0.220 nan 8.150 nan 0.000 0.442 40 E N 0.281 120.561 120.200 0.133 0.000 2.110 40 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 40 E C 1.559 178.183 176.600 0.041 0.000 0.988 40 E CA 1.287 57.745 56.400 0.096 0.000 0.804 40 E CB -0.325 29.487 29.700 0.186 0.000 0.745 40 E HN 0.593 nan 8.360 nan 0.000 0.458 41 L N -1.003 120.286 121.223 0.110 0.000 2.567 41 L HA 0.272 4.612 4.340 -0.000 0.000 0.225 41 L C 2.040 179.032 176.870 0.202 0.000 1.119 41 L CA 0.398 55.354 54.840 0.194 0.000 0.871 41 L CB 0.066 42.239 42.059 0.190 0.000 1.036 41 L HN 0.217 nan 8.230 nan 0.000 0.459 42 G N 0.303 109.153 108.800 0.083 0.000 2.598 42 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 42 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 42 G C 0.525 175.453 174.900 0.046 0.000 1.131 42 G CA 0.148 45.262 45.100 0.024 0.000 0.785 42 G HN 0.508 nan 8.290 nan 0.000 0.539 43 Q N -0.659 119.184 119.800 0.072 0.000 2.462 43 Q HA 0.521 4.861 4.340 -0.000 0.000 0.285 43 Q C -3.238 172.763 176.000 0.001 0.000 1.035 43 Q CA -2.259 53.586 55.803 0.069 0.000 0.799 43 Q CB 1.991 30.731 28.738 0.004 0.000 1.452 43 Q HN -0.122 nan 8.270 nan 0.000 0.404 44 P HA 0.372 nan 4.420 nan 0.000 0.268 44 P C 0.222 177.398 177.300 -0.207 0.000 1.205 44 P CA 1.267 64.206 63.100 -0.267 0.000 0.771 44 P CB 0.703 32.337 31.700 -0.109 0.000 0.858 45 G N 0.261 108.905 108.800 -0.261 0.000 2.409 45 G HA2 0.041 4.001 3.960 -0.000 0.000 0.421 45 G HA3 0.041 4.001 3.960 -0.000 0.000 0.421 45 G C -1.089 173.708 174.900 -0.172 0.000 1.259 45 G CA -0.320 44.678 45.100 -0.169 0.000 1.011 45 G HN 0.724 nan 8.290 nan 0.000 0.497 46 T N -0.710 113.776 114.554 -0.114 0.000 2.888 46 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 46 T C 0.918 175.587 174.700 -0.052 0.000 1.017 46 T CA 0.435 62.478 62.100 -0.094 0.000 1.022 46 T CB 1.468 70.292 68.868 -0.073 0.000 1.013 46 T HN 1.458 nan 8.240 nan 0.000 0.465 47 L N 4.133 125.339 121.223 -0.028 0.000 2.435 47 L HA 0.520 4.860 4.340 -0.000 0.000 0.195 47 L C 1.634 178.517 176.870 0.022 0.000 1.072 47 L CA 1.066 55.908 54.840 0.004 0.000 0.833 47 L CB -0.302 41.773 42.059 0.027 0.000 1.081 47 L HN 0.721 nan 8.230 nan 0.000 0.485 48 L N -0.096 121.151 121.223 0.039 0.000 2.375 48 L HA 0.313 4.653 4.340 -0.000 0.000 0.215 48 L C 1.423 178.315 176.870 0.038 0.000 1.108 48 L CA 0.578 55.452 54.840 0.057 0.000 0.830 48 L CB -0.709 41.411 42.059 0.102 0.000 0.959 48 L HN 0.493 nan 8.230 nan 0.000 0.457 49 G N 0.973 109.783 108.800 0.017 0.000 2.283 49 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.280 49 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.280 49 G C -0.074 174.837 174.900 0.018 0.000 1.029 49 G CA 0.756 45.859 45.100 0.005 0.000 0.840 49 G HN 0.444 nan 8.290 nan 0.000 0.505 50 D N -0.622 119.801 120.400 0.038 0.000 2.351 50 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 50 D C 0.651 177.003 176.300 0.087 0.000 1.331 50 D CA -0.482 53.550 54.000 0.052 0.000 0.959 50 D CB 0.296 41.132 40.800 0.059 0.000 1.432 50 D HN -0.027 nan 8.370 nan 0.000 0.544 51 D N 1.454 121.896 120.400 0.069 0.000 2.263 51 D HA -0.173 4.467 4.640 -0.000 0.000 0.208 51 D C 1.644 178.042 176.300 0.164 0.000 0.971 51 D CA 0.819 54.887 54.000 0.113 0.000 0.867 51 D CB 0.411 41.233 40.800 0.036 0.000 0.929 51 D HN 0.449 nan 8.370 nan 0.000 0.492 52 Q N 0.901 120.768 119.800 0.110 0.000 2.050 52 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 52 Q C 2.087 178.169 176.000 0.135 0.000 0.980 52 Q CA 1.151 57.023 55.803 0.116 0.000 0.840 52 Q CB -0.335 28.445 28.738 0.070 0.000 0.898 52 Q HN 0.302 nan 8.270 nan 0.000 0.424 53 I N -0.276 120.368 120.570 0.125 0.000 2.226 53 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 53 I C 2.060 178.255 176.117 0.130 0.000 1.100 53 I CA 1.321 62.691 61.300 0.117 0.000 1.374 53 I CB -0.465 37.598 38.000 0.104 0.000 1.057 53 I HN 0.308 nan 8.210 nan 0.000 0.413 54 Y N 2.530 122.873 120.300 0.072 0.000 2.097 54 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 54 Y C 2.411 178.371 175.900 0.100 0.000 1.152 54 Y CA 1.963 60.111 58.100 0.080 0.000 1.136 54 Y CB -0.328 38.173 38.460 0.069 0.000 0.975 54 Y HN 0.183 nan 8.280 nan 0.000 0.498 55 N N -0.051 118.728 118.700 0.133 0.000 2.166 55 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 55 N C 1.931 177.452 175.510 0.017 0.000 1.019 55 N CA 1.596 54.691 53.050 0.074 0.000 0.856 55 N CB -0.663 37.923 38.487 0.166 0.000 0.993 55 N HN 0.334 nan 8.380 nan 0.000 0.426 56 V N 0.482 120.431 119.914 0.059 0.000 2.343 56 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 56 V C 2.355 178.480 176.094 0.050 0.000 1.051 56 V CA 1.099 63.447 62.300 0.080 0.000 1.036 56 V CB -0.436 31.453 31.823 0.111 0.000 0.654 56 V HN 0.077 nan 8.190 nan 0.000 0.451 57 V N -0.456 119.444 119.914 -0.022 0.000 2.358 57 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 57 V C 2.399 178.467 176.094 -0.044 0.000 1.047 57 V CA 1.697 63.981 62.300 -0.026 0.000 1.035 57 V CB -0.186 31.580 31.823 -0.095 0.000 0.658 57 V HN 0.406 nan 8.190 nan 0.000 0.452 58 V N -0.116 119.689 119.914 -0.181 0.000 2.343 58 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 58 V C 2.559 178.676 176.094 0.039 0.000 1.051 58 V CA 2.626 64.870 62.300 -0.093 0.000 1.036 58 V CB -0.950 30.773 31.823 -0.167 0.000 0.654 58 V HN 0.610 nan 8.190 nan 0.000 0.451 59 T N 0.366 114.929 114.554 0.016 0.000 2.777 59 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 59 T C 2.030 176.755 174.700 0.041 0.000 1.040 59 T CA 1.606 63.700 62.100 -0.011 0.000 1.141 59 T CB -0.376 68.530 68.868 0.063 0.000 0.868 59 T HN 0.560 nan 8.240 nan 0.000 0.444 60 A N 1.101 124.030 122.820 0.182 0.000 1.929 60 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 60 A C 1.981 179.705 177.584 0.233 0.000 1.176 60 A CA 2.001 54.219 52.037 0.302 0.000 0.628 60 A CB -0.894 18.272 19.000 0.278 0.000 0.816 60 A HN 0.702 nan 8.150 nan 0.000 0.444 61 H N 0.340 119.455 119.070 0.074 0.000 2.319 61 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 61 H C 2.042 177.360 175.328 -0.018 0.000 1.092 61 H CA 2.262 58.339 56.048 0.049 0.000 1.302 61 H CB -0.308 29.474 29.762 0.033 0.000 1.373 61 H HN 0.356 nan 8.280 nan 0.000 0.497 62 A N 0.097 122.716 122.820 -0.335 0.000 1.877 62 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 62 A C 2.200 179.526 177.584 -0.431 0.000 1.186 62 A CA 1.440 53.110 52.037 -0.611 0.000 0.620 62 A CB -1.108 17.475 19.000 -0.694 0.000 0.822 62 A HN 0.454 nan 8.150 nan 0.000 0.443 63 F N 0.063 119.967 119.950 -0.076 0.000 2.126 63 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 63 F C 2.513 178.233 175.800 -0.134 0.000 1.096 63 F CA 1.257 59.273 58.000 0.027 0.000 1.255 63 F CB -0.983 38.066 39.000 0.083 0.000 0.997 63 F HN 0.024 nan 8.300 nan 0.000 0.479 64 V N -0.286 119.702 119.914 0.122 0.000 2.261 64 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 64 V C 2.518 178.585 176.094 -0.045 0.000 1.047 64 V CA 1.618 63.973 62.300 0.092 0.000 1.015 64 V CB -0.531 31.429 31.823 0.228 0.000 0.642 64 V HN 0.223 nan 8.190 nan 0.000 0.446 65 M N -0.894 118.618 119.600 -0.147 0.000 2.086 65 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 65 M C 2.186 178.343 176.300 -0.239 0.000 1.067 65 M CA 2.015 57.200 55.300 -0.191 0.000 1.116 65 M CB -0.974 31.440 32.600 -0.309 0.000 1.348 65 M HN 0.277 nan 8.290 nan 0.000 0.407 66 I N -0.853 119.490 120.570 -0.378 0.000 2.110 66 I HA -0.286 3.884 4.170 -0.000 0.000 0.236 66 I C 2.175 177.981 176.117 -0.518 0.000 1.068 66 I CA 1.494 62.476 61.300 -0.531 0.000 1.333 66 I CB -0.433 37.074 38.000 -0.822 0.000 1.054 66 I HN 0.064 nan 8.210 nan 0.000 0.402 67 F N -0.555 119.192 119.950 -0.339 0.000 2.416 67 F HA -0.038 4.489 4.527 -0.000 0.000 0.296 67 F C 1.748 177.322 175.800 -0.377 0.000 1.099 67 F CA 0.952 58.685 58.000 -0.445 0.000 1.427 67 F CB -0.124 38.395 39.000 -0.802 0.000 1.079 67 F HN -0.034 nan 8.300 nan 0.000 0.536 68 F N -2.621 117.425 119.950 0.161 0.000 2.727 68 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 68 F C 1.883 177.803 175.800 0.200 0.000 1.107 68 F CA -0.018 58.092 58.000 0.184 0.000 1.277 68 F CB -0.303 38.480 39.000 -0.361 0.000 1.079 68 F HN -0.118 nan 8.300 nan 0.000 0.594 69 M N -0.671 119.057 119.600 0.213 0.000 2.749 69 M HA 0.096 4.576 4.480 -0.000 0.000 0.240 69 M C 1.982 178.374 176.300 0.153 0.000 1.285 69 M CA 1.164 56.571 55.300 0.178 0.000 1.267 69 M CB -0.402 32.251 32.600 0.087 0.000 1.184 69 M HN -0.082 nan 8.290 nan 0.000 0.526 70 V N 1.200 121.140 119.914 0.043 0.000 2.323 70 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 70 V C 2.480 178.607 176.094 0.056 0.000 1.041 70 V CA 1.639 63.953 62.300 0.024 0.000 1.025 70 V CB -0.530 31.246 31.823 -0.078 0.000 0.656 70 V HN 0.473 nan 8.190 nan 0.000 0.451 71 M N -0.619 118.994 119.600 0.021 0.000 2.123 71 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 71 M C -0.059 176.318 176.300 0.128 0.000 1.069 71 M CA 2.004 57.326 55.300 0.036 0.000 1.133 71 M CB -1.486 31.106 32.600 -0.014 0.000 1.356 71 M HN 0.254 nan 8.290 nan 0.000 0.415 72 P HA -0.165 nan 4.420 nan 0.000 0.215 72 P C 1.406 178.887 177.300 0.301 0.000 1.157 72 P CA 1.487 64.822 63.100 0.392 0.000 0.874 72 P CB -0.153 31.959 31.700 0.687 0.000 0.790 73 I N -2.235 118.523 120.570 0.314 0.000 2.163 73 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 73 I C 2.504 178.844 176.117 0.372 0.000 1.081 73 I CA 1.616 63.106 61.300 0.318 0.000 1.353 73 I CB -0.413 37.789 38.000 0.337 0.000 1.054 73 I HN -0.080 nan 8.210 nan 0.000 0.407 74 M N -0.096 119.690 119.600 0.310 0.000 2.077 74 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 74 M C 2.209 178.648 176.300 0.232 0.000 1.070 74 M CA 2.089 57.584 55.300 0.324 0.000 1.125 74 M CB -0.088 32.608 32.600 0.159 0.000 1.339 74 M HN 0.159 nan 8.290 nan 0.000 0.409 75 I N -1.471 119.133 120.570 0.056 0.000 2.512 75 I HA 0.006 4.176 4.170 -0.000 0.000 0.247 75 I C 2.521 178.575 176.117 -0.106 0.000 1.094 75 I CA 0.950 62.196 61.300 -0.090 0.000 1.427 75 I CB -0.819 37.124 38.000 -0.096 0.000 1.149 75 I HN 0.282 nan 8.210 nan 0.000 0.438 76 G N 0.397 108.995 108.800 -0.337 0.000 2.418 76 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 76 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 76 G C 1.583 176.167 174.900 -0.526 0.000 1.158 76 G CA 0.973 45.438 45.100 -1.059 0.000 0.771 76 G HN 0.494 nan 8.290 nan 0.000 0.545 77 G N 0.066 108.806 108.800 -0.100 0.000 2.564 77 G HA2 0.131 4.091 3.960 -0.000 0.000 0.212 77 G HA3 0.131 4.091 3.960 -0.000 0.000 0.212 77 G C 1.516 176.399 174.900 -0.028 0.000 1.199 77 G CA 0.239 45.348 45.100 0.015 0.000 0.832 77 G HN 0.272 nan 8.290 nan 0.000 0.565 78 F N 1.963 121.987 119.950 0.123 0.000 2.171 78 F HA 0.060 4.587 4.527 -0.000 0.000 0.300 78 F C 2.886 178.793 175.800 0.178 0.000 1.090 78 F CA 0.984 59.029 58.000 0.076 0.000 1.293 78 F CB -0.430 38.559 39.000 -0.020 0.000 1.013 78 F HN 0.210 nan 8.300 nan 0.000 0.486 79 G N 0.203 109.225 108.800 0.369 0.000 2.514 79 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 79 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 79 G C 1.698 176.846 174.900 0.414 0.000 1.198 79 G CA 1.154 46.384 45.100 0.216 0.000 0.780 79 G HN 0.248 nan 8.290 nan 0.000 0.565 80 N N -0.157 118.777 118.700 0.390 0.000 2.166 80 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 80 N C 1.960 177.599 175.510 0.215 0.000 1.019 80 N CA 0.952 54.157 53.050 0.259 0.000 0.856 80 N CB -0.272 38.263 38.487 0.079 0.000 0.993 80 N HN 0.576 nan 8.380 nan 0.000 0.426 81 W N 1.368 122.632 121.300 -0.061 0.000 2.354 81 W HA -0.023 4.637 4.660 -0.000 0.000 0.315 81 W C 2.066 178.588 176.519 0.005 0.000 1.206 81 W CA 0.683 57.903 57.345 -0.207 0.000 1.290 81 W CB -0.246 28.756 29.460 -0.763 0.000 1.152 81 W HN 0.011 nan 8.180 nan 0.000 0.489 82 L N -1.376 120.017 121.223 0.284 0.000 2.416 82 L HA -0.050 4.290 4.340 -0.000 0.000 0.216 82 L C 1.943 178.935 176.870 0.204 0.000 1.098 82 L CA -0.016 54.922 54.840 0.165 0.000 0.840 82 L CB -0.823 41.156 42.059 -0.134 0.000 0.981 82 L HN -0.178 nan 8.230 nan 0.000 0.462 83 V N 0.888 120.946 119.914 0.239 0.000 2.270 83 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 83 V C -0.194 175.917 176.094 0.029 0.000 1.043 83 V CA 1.989 64.380 62.300 0.153 0.000 1.014 83 V CB -1.460 30.462 31.823 0.164 0.000 0.645 83 V HN 0.331 nan 8.190 nan 0.000 0.447 84 P HA -0.146 nan 4.420 nan 0.000 0.216 84 P C 1.883 179.093 177.300 -0.150 0.000 1.150 84 P CA 1.480 64.431 63.100 -0.247 0.000 0.837 84 P CB -0.061 31.229 31.700 -0.683 0.000 0.786 85 L N -1.981 119.269 121.223 0.045 0.000 2.093 85 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 85 L C 2.476 179.400 176.870 0.091 0.000 1.085 85 L CA 1.450 56.418 54.840 0.214 0.000 0.755 85 L CB -0.720 41.528 42.059 0.315 0.000 0.904 85 L HN -0.017 nan 8.230 nan 0.000 0.435 86 M N -0.286 119.368 119.600 0.090 0.000 2.476 86 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 86 M C 1.714 178.024 176.300 0.017 0.000 1.079 86 M CA 1.249 56.625 55.300 0.127 0.000 1.104 86 M CB 0.075 32.803 32.600 0.215 0.000 1.409 86 M HN 0.334 nan 8.290 nan 0.000 0.467 87 I N -4.319 116.189 120.570 -0.102 0.000 4.025 87 I HA 0.481 4.651 4.170 -0.000 0.000 0.336 87 I C 0.830 176.736 176.117 -0.351 0.000 1.390 87 I CA 0.019 61.218 61.300 -0.167 0.000 1.099 87 I CB 0.033 37.948 38.000 -0.142 0.000 1.049 87 I HN 0.292 nan 8.210 nan 0.000 0.394 88 G N 1.882 110.291 108.800 -0.652 0.000 2.176 88 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.252 88 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.252 88 G C 0.283 174.583 174.900 -1.000 0.000 1.024 88 G CA 0.113 44.312 45.100 -1.501 0.000 0.755 88 G HN 0.946 nan 8.290 nan 0.000 0.507 89 A N 0.171 122.662 122.820 -0.549 0.000 2.279 89 A HA 0.862 5.182 4.320 -0.000 0.000 0.303 89 A C -0.182 177.345 177.584 -0.095 0.000 1.108 89 A CA -0.811 51.071 52.037 -0.258 0.000 0.830 89 A CB 1.112 19.968 19.000 -0.240 0.000 1.106 89 A HN 0.125 nan 8.150 nan 0.000 0.493 90 P HA 0.054 nan 4.420 nan 0.000 0.231 90 P C -0.061 177.236 177.300 -0.004 0.000 1.168 90 P CA 0.949 64.089 63.100 0.067 0.000 0.779 90 P CB 0.478 32.211 31.700 0.056 0.000 0.844 91 D N -2.322 117.993 120.400 -0.141 0.000 2.879 91 D HA 0.128 4.768 4.640 -0.000 0.000 0.346 91 D C -0.481 175.655 176.300 -0.273 0.000 1.390 91 D CA -0.471 53.407 54.000 -0.204 0.000 0.838 91 D CB 0.639 41.406 40.800 -0.055 0.000 1.416 91 D HN -0.330 nan 8.370 nan 0.000 0.493 92 M N 0.973 120.419 119.600 -0.256 0.000 2.198 92 M HA 0.289 4.769 4.480 -0.000 0.000 0.315 92 M C 1.300 177.409 176.300 -0.318 0.000 1.134 92 M CA 0.083 55.204 55.300 -0.298 0.000 1.171 92 M CB 0.083 32.495 32.600 -0.312 0.000 1.413 92 M HN 0.581 nan 8.290 nan 0.000 0.467 93 A N 1.054 123.582 122.820 -0.487 0.000 1.930 93 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 93 A C 0.450 177.594 177.584 -0.734 0.000 1.175 93 A CA 1.348 52.959 52.037 -0.711 0.000 0.627 93 A CB -0.147 18.166 19.000 -1.144 0.000 0.815 93 A HN 0.573 nan 8.150 nan 0.000 0.443 94 F N -1.050 118.836 119.950 -0.108 0.000 2.453 94 F HA 0.388 4.915 4.527 -0.000 0.000 0.358 94 F C -2.209 173.544 175.800 -0.079 0.000 1.129 94 F CA -2.850 55.102 58.000 -0.080 0.000 1.200 94 F CB 1.232 40.189 39.000 -0.073 0.000 1.431 94 F HN 0.014 nan 8.300 nan 0.000 0.503 95 P HA -0.085 nan 4.420 nan 0.000 0.223 95 P C 1.799 179.122 177.300 0.038 0.000 1.151 95 P CA 1.073 64.179 63.100 0.010 0.000 0.787 95 P CB 0.365 32.064 31.700 -0.003 0.000 0.788 96 R N -0.631 119.908 120.500 0.065 0.000 2.075 96 R HA 0.112 4.452 4.340 -0.000 0.000 0.220 96 R C 2.259 178.597 176.300 0.064 0.000 1.118 96 R CA 0.765 56.897 56.100 0.053 0.000 0.986 96 R CB -0.765 29.553 30.300 0.031 0.000 0.884 96 R HN 0.009 nan 8.270 nan 0.000 0.439 97 M N 1.368 121.008 119.600 0.067 0.000 2.144 97 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 97 M C 1.733 178.083 176.300 0.083 0.000 1.067 97 M CA 2.032 57.366 55.300 0.057 0.000 1.095 97 M CB -0.296 32.327 32.600 0.038 0.000 1.365 97 M HN 0.157 nan 8.290 nan 0.000 0.406 98 N N 0.814 119.564 118.700 0.082 0.000 2.137 98 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 98 N C 1.296 176.885 175.510 0.131 0.000 1.017 98 N CA 1.900 54.992 53.050 0.070 0.000 0.859 98 N CB -0.469 38.020 38.487 0.003 0.000 1.002 98 N HN 0.450 nan 8.380 nan 0.000 0.428 99 N N -0.239 118.540 118.700 0.131 0.000 2.270 99 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 99 N C 1.671 177.342 175.510 0.269 0.000 1.016 99 N CA 0.726 53.899 53.050 0.206 0.000 0.870 99 N CB -0.190 38.437 38.487 0.233 0.000 0.979 99 N HN 0.363 nan 8.380 nan 0.000 0.431 100 M N -0.753 118.959 119.600 0.187 0.000 2.254 100 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 100 M C 1.679 178.043 176.300 0.107 0.000 1.066 100 M CA 0.975 56.371 55.300 0.159 0.000 1.123 100 M CB 0.056 32.711 32.600 0.092 0.000 1.388 100 M HN 0.033 nan 8.290 nan 0.000 0.425 101 S N 0.146 115.916 115.700 0.117 0.000 2.383 101 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 101 S C 1.441 176.049 174.600 0.014 0.000 1.026 101 S CA 1.070 59.341 58.200 0.119 0.000 0.981 101 S CB -0.434 62.900 63.200 0.223 0.000 0.818 101 S HN 0.584 nan 8.310 nan 0.000 0.472 102 F N 1.069 120.901 119.950 -0.197 0.000 2.075 102 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 102 F C 1.663 177.094 175.800 -0.614 0.000 1.113 102 F CA 1.319 58.855 58.000 -0.774 0.000 1.218 102 F CB -0.664 37.697 39.000 -1.065 0.000 0.984 102 F HN 0.236 nan 8.300 nan 0.000 0.472 103 W N 0.564 121.660 121.300 -0.341 0.000 2.421 103 W HA -0.083 4.577 4.660 -0.000 0.000 0.270 103 W C 2.145 178.461 176.519 -0.340 0.000 1.233 103 W CA 0.613 57.746 57.345 -0.354 0.000 1.226 103 W CB -0.520 28.911 29.460 -0.048 0.000 1.121 103 W HN 0.049 nan 8.180 nan 0.000 0.579 104 L N -0.208 120.950 121.223 -0.107 0.000 2.275 104 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 104 L C 2.089 178.868 176.870 -0.151 0.000 1.119 104 L CA 0.841 55.638 54.840 -0.071 0.000 0.790 104 L CB -0.536 41.511 42.059 -0.019 0.000 0.919 104 L HN 0.101 nan 8.230 nan 0.000 0.443 105 L N -0.618 120.349 121.223 -0.427 0.000 2.095 105 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 105 L C -0.186 176.521 176.870 -0.273 0.000 1.080 105 L CA 0.943 55.512 54.840 -0.451 0.000 0.759 105 L CB -1.683 39.813 42.059 -0.939 0.000 0.914 105 L HN 0.193 nan 8.230 nan 0.000 0.439 106 P HA -0.114 nan 4.420 nan 0.000 0.215 106 P C -1.401 175.943 177.300 0.073 0.000 1.157 106 P CA 1.502 64.651 63.100 0.083 0.000 0.868 106 P CB -1.089 30.677 31.700 0.110 0.000 0.788 107 P HA -0.136 nan 4.420 nan 0.000 0.215 107 P C 1.878 179.220 177.300 0.069 0.000 1.153 107 P CA 1.658 64.787 63.100 0.047 0.000 0.853 107 P CB -0.484 31.236 31.700 0.033 0.000 0.788 108 S N -1.647 114.099 115.700 0.077 0.000 2.368 108 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 108 S C 1.785 176.473 174.600 0.146 0.000 1.030 108 S CA 0.900 59.191 58.200 0.152 0.000 0.999 108 S CB -1.082 62.276 63.200 0.263 0.000 0.844 108 S HN 0.060 nan 8.310 nan 0.000 0.459 109 F N 0.882 120.647 119.950 -0.309 0.000 2.134 109 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 109 F C 2.095 177.820 175.800 -0.125 0.000 1.097 109 F CA 0.916 58.574 58.000 -0.570 0.000 1.264 109 F CB -0.160 38.473 39.000 -0.611 0.000 1.001 109 F HN 0.275 nan 8.300 nan 0.000 0.479 110 L N 0.966 122.266 121.223 0.128 0.000 2.021 110 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 110 L C 2.023 178.958 176.870 0.108 0.000 1.074 110 L CA 1.836 56.717 54.840 0.067 0.000 0.760 110 L CB -0.872 41.206 42.059 0.033 0.000 0.889 110 L HN 0.170 nan 8.230 nan 0.000 0.433 111 L N -1.445 119.856 121.223 0.129 0.000 2.046 111 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 111 L C 2.542 179.507 176.870 0.159 0.000 1.077 111 L CA 1.409 56.331 54.840 0.137 0.000 0.747 111 L CB -0.594 41.553 42.059 0.146 0.000 0.896 111 L HN 0.372 nan 8.230 nan 0.000 0.432 112 L N -0.339 121.015 121.223 0.219 0.000 2.056 112 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 112 L C 2.497 179.517 176.870 0.251 0.000 1.078 112 L CA 1.259 56.252 54.840 0.255 0.000 0.749 112 L CB -0.036 42.285 42.059 0.437 0.000 0.901 112 L HN 0.226 nan 8.230 nan 0.000 0.433 113 L N -0.436 120.932 121.223 0.243 0.000 2.083 113 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 113 L C 2.809 179.754 176.870 0.125 0.000 1.083 113 L CA 1.086 56.026 54.840 0.167 0.000 0.752 113 L CB -0.745 41.363 42.059 0.081 0.000 0.899 113 L HN 0.330 nan 8.230 nan 0.000 0.433 114 A N 0.076 122.964 122.820 0.114 0.000 1.930 114 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 114 A C 2.531 180.177 177.584 0.104 0.000 1.175 114 A CA 1.828 53.922 52.037 0.095 0.000 0.627 114 A CB -0.641 18.411 19.000 0.087 0.000 0.815 114 A HN 0.517 nan 8.150 nan 0.000 0.443 115 S N 0.521 116.292 115.700 0.118 0.000 2.399 115 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 115 S C 2.010 176.681 174.600 0.118 0.000 1.022 115 S CA 1.786 60.053 58.200 0.112 0.000 0.983 115 S CB -0.808 62.454 63.200 0.103 0.000 0.803 115 S HN 0.940 nan 8.310 nan 0.000 0.480 116 S N 0.624 116.403 115.700 0.131 0.000 2.496 116 S HA 0.190 4.660 4.470 -0.000 0.000 0.224 116 S C 1.800 176.461 174.600 0.101 0.000 0.996 116 S CA 0.316 58.591 58.200 0.126 0.000 0.927 116 S CB -0.377 62.909 63.200 0.142 0.000 0.774 116 S HN 0.380 nan 8.310 nan 0.000 0.524 117 M N 1.985 121.639 119.600 0.091 0.000 2.394 117 M HA 0.260 4.740 4.480 -0.000 0.000 0.266 117 M C 1.050 177.390 176.300 0.067 0.000 1.098 117 M CA 0.433 55.777 55.300 0.073 0.000 1.149 117 M CB -0.611 32.027 32.600 0.063 0.000 1.369 117 M HN 0.418 nan 8.290 nan 0.000 0.450 118 V N -0.773 119.185 119.914 0.074 0.000 2.743 118 V HA 0.358 4.478 4.120 -0.000 0.000 0.301 118 V C 0.835 176.971 176.094 0.070 0.000 1.057 118 V CA -0.934 61.406 62.300 0.067 0.000 1.006 118 V CB 1.187 33.051 31.823 0.070 0.000 1.024 118 V HN 0.533 nan 8.190 nan 0.000 0.473 119 E N 2.525 122.760 120.200 0.059 0.000 3.401 119 E HA -0.348 4.002 4.350 -0.000 0.000 0.352 119 E C 0.915 177.550 176.600 0.058 0.000 1.523 119 E CA 2.094 58.528 56.400 0.055 0.000 1.794 119 E CB -1.618 28.120 29.700 0.063 0.000 1.792 119 E HN 1.553 nan 8.360 nan 0.000 0.471 120 A N 1.499 124.358 122.820 0.065 0.000 2.535 120 A HA 0.520 4.840 4.320 -0.000 0.000 0.273 120 A C 0.835 178.483 177.584 0.107 0.000 1.267 120 A CA 1.479 53.557 52.037 0.068 0.000 0.940 120 A CB 0.067 19.088 19.000 0.035 0.000 1.101 120 A HN 1.378 nan 8.150 nan 0.000 0.521 121 G N -1.028 107.847 108.800 0.124 0.000 2.828 121 G HA2 0.326 4.286 3.960 -0.000 0.000 0.463 121 G HA3 0.326 4.286 3.960 -0.000 0.000 0.463 121 G C 0.055 175.075 174.900 0.200 0.000 1.394 121 G CA -0.333 44.854 45.100 0.146 0.000 0.862 121 G HN 1.747 nan 8.290 nan 0.000 0.540 122 A N 0.223 123.138 122.820 0.158 0.000 2.444 122 A HA 0.741 5.061 4.320 -0.000 0.000 0.332 122 A C 0.822 178.453 177.584 0.077 0.000 1.430 122 A CA 0.793 52.875 52.037 0.075 0.000 0.975 122 A CB 0.417 19.434 19.000 0.028 0.000 1.147 122 A HN 2.312 nan 8.150 nan 0.000 0.524 123 G N 1.658 110.589 108.800 0.218 0.000 3.964 123 G HA2 0.388 4.348 3.960 -0.000 0.000 0.289 123 G HA3 0.388 4.348 3.960 -0.000 0.000 0.289 123 G C 0.641 175.584 174.900 0.070 0.000 1.176 123 G CA 0.463 45.673 45.100 0.182 0.000 1.553 123 G HN 0.797 nan 8.290 nan 0.000 0.588 124 T N -2.454 112.054 114.554 -0.077 0.000 2.975 124 T HA 0.495 4.845 4.350 -0.000 0.000 0.257 124 T C 1.174 175.792 174.700 -0.137 0.000 1.003 124 T CA 0.468 62.470 62.100 -0.164 0.000 0.932 124 T CB 0.646 69.354 68.868 -0.266 0.000 1.087 124 T HN 1.615 nan 8.240 nan 0.000 0.512 125 G N 1.864 110.613 108.800 -0.087 0.000 2.716 125 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G C 0.292 175.060 174.900 -0.219 0.000 1.337 125 G CA -0.223 44.801 45.100 -0.126 0.000 0.829 125 G HN 0.654 nan 8.290 nan 0.000 0.599 126 W N 0.897 121.898 121.300 -0.499 0.000 2.611 126 W HA -0.026 4.634 4.660 -0.000 0.000 0.251 126 W C 1.531 177.749 176.519 -0.502 0.000 1.265 126 W CA 1.861 58.714 57.345 -0.821 0.000 1.295 126 W CB -1.454 27.370 29.460 -1.058 0.000 1.129 126 W HN 1.023 nan 8.180 nan 0.000 0.630 127 T N -0.901 112.898 114.554 -1.259 0.000 3.055 127 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 127 T C 1.259 175.354 174.700 -1.007 0.000 1.111 127 T CA 0.850 61.877 62.100 -1.788 0.000 1.118 127 T CB -0.852 66.997 68.868 -1.698 0.000 0.909 127 T HN 0.112 nan 8.240 nan 0.000 0.501 128 V N 0.661 120.250 119.914 -0.541 0.000 4.766 128 V HA -0.247 3.873 4.120 -0.000 0.000 0.260 128 V C 0.313 176.152 176.094 -0.425 0.000 0.542 128 V CA 0.395 62.502 62.300 -0.322 0.000 0.766 128 V CB -2.899 28.842 31.823 -0.136 0.000 0.697 128 V HN 0.717 nan 8.190 nan 0.000 1.171 129 Y N 1.760 121.740 120.300 -0.535 0.000 2.721 129 Y HA 0.134 4.684 4.550 -0.000 0.000 0.329 129 Y C -0.700 174.905 175.900 -0.491 0.000 1.211 129 Y CA -1.544 56.214 58.100 -0.571 0.000 1.512 129 Y CB 0.651 38.953 38.460 -0.264 0.000 1.249 129 Y HN 0.281 nan 8.280 nan 0.000 0.549 130 P HA 0.080 nan 4.420 nan 0.000 0.274 130 P C -2.395 174.861 177.300 -0.072 0.000 1.246 130 P CA -1.642 61.334 63.100 -0.207 0.000 0.795 130 P CB 0.843 32.426 31.700 -0.195 0.000 1.006 131 P HA 0.062 nan 4.420 nan 0.000 0.245 131 P C 1.498 178.824 177.300 0.042 0.000 1.206 131 P CA 0.038 63.156 63.100 0.030 0.000 0.781 131 P CB -0.101 31.631 31.700 0.053 0.000 0.994 132 L N 0.583 121.836 121.223 0.051 0.000 2.081 132 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 132 L C 1.952 178.902 176.870 0.134 0.000 1.080 132 L CA 2.050 56.955 54.840 0.109 0.000 0.754 132 L CB -1.254 40.866 42.059 0.103 0.000 0.893 132 L HN -0.054 nan 8.230 nan 0.000 0.433 133 A N -0.983 121.819 122.820 -0.030 0.000 2.238 133 A HA 0.396 4.716 4.320 -0.000 0.000 0.208 133 A C 1.385 178.950 177.584 -0.031 0.000 1.177 133 A CA 0.385 52.351 52.037 -0.118 0.000 0.804 133 A CB -1.254 17.603 19.000 -0.239 0.000 0.823 133 A HN 0.476 nan 8.150 nan 0.000 0.482 134 G N 0.045 108.859 108.800 0.023 0.000 2.588 134 G HA2 0.254 4.214 3.960 -0.000 0.000 0.278 134 G HA3 0.254 4.214 3.960 -0.000 0.000 0.278 134 G C 0.605 175.549 174.900 0.074 0.000 1.307 134 G CA 0.160 45.289 45.100 0.049 0.000 1.016 134 G HN 0.466 nan 8.290 nan 0.000 0.503 135 N N -1.062 117.674 118.700 0.060 0.000 2.515 135 N HA -0.032 4.708 4.740 -0.000 0.000 0.185 135 N C 1.526 177.065 175.510 0.049 0.000 1.109 135 N CA 0.469 53.552 53.050 0.056 0.000 0.903 135 N CB 0.036 38.550 38.487 0.044 0.000 0.969 135 N HN 0.290 nan 8.380 nan 0.000 0.450 136 L N -0.188 121.063 121.223 0.047 0.000 2.262 136 L HA 0.457 4.797 4.340 -0.000 0.000 0.197 136 L C 2.053 178.938 176.870 0.026 0.000 1.073 136 L CA 1.147 56.006 54.840 0.033 0.000 0.800 136 L CB -0.947 41.131 42.059 0.032 0.000 0.987 136 L HN 0.156 nan 8.230 nan 0.000 0.470 137 A N -2.162 120.685 122.820 0.045 0.000 2.123 137 A HA 0.000 4.320 4.320 -0.000 0.000 0.214 137 A C 0.310 177.867 177.584 -0.044 0.000 1.152 137 A CA 0.662 52.714 52.037 0.025 0.000 0.728 137 A CB -0.620 18.429 19.000 0.080 0.000 0.814 137 A HN 0.619 nan 8.150 nan 0.000 0.464 138 H N -0.887 118.192 119.070 0.015 0.000 2.597 138 H HA 0.537 5.093 4.556 -0.000 0.000 0.225 138 H C 0.099 175.437 175.328 0.016 0.000 1.422 138 H CA -0.070 55.988 56.048 0.016 0.000 1.335 138 H CB 0.481 30.249 29.762 0.010 0.000 1.783 138 H HN 0.418 nan 8.280 nan 0.000 0.513 139 A N 1.099 123.949 122.820 0.050 0.000 2.425 139 A HA 0.589 4.909 4.320 -0.000 0.000 0.242 139 A C 1.061 178.679 177.584 0.057 0.000 1.077 139 A CA 0.764 52.830 52.037 0.048 0.000 0.781 139 A CB -0.174 18.840 19.000 0.022 0.000 1.020 139 A HN 0.894 nan 8.150 nan 0.000 0.494 140 G N -0.819 108.015 108.800 0.056 0.000 2.631 140 G HA2 0.340 4.300 3.960 -0.000 0.000 0.504 140 G HA3 0.340 4.300 3.960 -0.000 0.000 0.504 140 G C 0.683 175.624 174.900 0.069 0.000 1.306 140 G CA 0.171 45.306 45.100 0.059 0.000 0.897 140 G HN 1.996 nan 8.290 nan 0.000 0.520 141 A N -0.503 122.360 122.820 0.072 0.000 2.119 141 A HA 0.366 4.686 4.320 -0.000 0.000 0.216 141 A C 2.622 180.253 177.584 0.078 0.000 1.152 141 A CA 2.362 54.447 52.037 0.080 0.000 0.708 141 A CB -0.529 18.525 19.000 0.089 0.000 0.805 141 A HN 1.493 nan 8.150 nan 0.000 0.460 142 S N -0.186 115.567 115.700 0.088 0.000 2.353 142 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 142 S C 1.886 176.515 174.600 0.047 0.000 1.035 142 S CA 1.657 59.910 58.200 0.089 0.000 1.025 142 S CB -0.530 62.746 63.200 0.126 0.000 0.902 142 S HN 0.356 nan 8.310 nan 0.000 0.440 143 V N 2.546 122.477 119.914 0.027 0.000 2.407 143 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 143 V C 2.024 178.055 176.094 -0.104 0.000 1.055 143 V CA 1.765 64.034 62.300 -0.052 0.000 1.049 143 V CB -0.675 31.106 31.823 -0.069 0.000 0.662 143 V HN 0.420 nan 8.190 nan 0.000 0.455 144 D N -0.163 120.182 120.400 -0.091 0.000 2.178 144 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 144 D C 2.123 178.309 176.300 -0.190 0.000 0.980 144 D CA 1.075 54.944 54.000 -0.218 0.000 0.842 144 D CB -0.056 40.689 40.800 -0.091 0.000 0.948 144 D HN 0.359 nan 8.370 nan 0.000 0.472 145 L N 0.573 121.809 121.223 0.020 0.000 2.056 145 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 145 L C 2.570 179.463 176.870 0.037 0.000 1.078 145 L CA 1.064 55.983 54.840 0.131 0.000 0.749 145 L CB -0.595 41.542 42.059 0.130 0.000 0.901 145 L HN -0.019 nan 8.230 nan 0.000 0.433 146 T N 0.243 114.763 114.554 -0.056 0.000 2.684 146 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 146 T C 1.898 176.426 174.700 -0.286 0.000 1.036 146 T CA 1.506 63.500 62.100 -0.177 0.000 1.148 146 T CB -0.245 68.529 68.868 -0.156 0.000 0.863 146 T HN 0.174 nan 8.240 nan 0.000 0.436 147 I N 0.319 120.704 120.570 -0.308 0.000 2.127 147 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 147 I C 2.070 177.969 176.117 -0.364 0.000 1.075 147 I CA 1.495 62.535 61.300 -0.433 0.000 1.334 147 I CB -0.476 37.216 38.000 -0.514 0.000 1.040 147 I HN 0.157 nan 8.210 nan 0.000 0.405 148 F N 0.553 120.459 119.950 -0.073 0.000 2.202 148 F HA -0.258 4.269 4.527 -0.000 0.000 0.301 148 F C 2.929 178.727 175.800 -0.003 0.000 1.082 148 F CA 1.580 59.605 58.000 0.041 0.000 1.313 148 F CB -1.308 37.733 39.000 0.068 0.000 1.024 148 F HN 0.062 nan 8.300 nan 0.000 0.495 149 S N 0.228 115.988 115.700 0.100 0.000 2.356 149 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 149 S C 2.168 176.719 174.600 -0.081 0.000 1.032 149 S CA 1.198 59.425 58.200 0.045 0.000 1.005 149 S CB -0.429 62.775 63.200 0.006 0.000 0.867 149 S HN 0.353 nan 8.310 nan 0.000 0.449 150 L N 0.166 121.213 121.223 -0.294 0.000 2.056 150 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 150 L C 2.473 179.205 176.870 -0.230 0.000 1.078 150 L CA 1.687 56.247 54.840 -0.467 0.000 0.749 150 L CB -0.755 40.953 42.059 -0.586 0.000 0.901 150 L HN 0.475 nan 8.230 nan 0.000 0.433 151 H N -0.317 118.685 119.070 -0.114 0.000 2.352 151 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 151 H C 2.316 177.632 175.328 -0.020 0.000 1.097 151 H CA 1.188 57.210 56.048 -0.043 0.000 1.311 151 H CB 0.118 29.922 29.762 0.069 0.000 1.377 151 H HN 0.230 nan 8.280 nan 0.000 0.504 152 L N -0.178 121.131 121.223 0.144 0.000 2.056 152 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 152 L C 2.883 179.799 176.870 0.077 0.000 1.078 152 L CA 0.813 55.708 54.840 0.092 0.000 0.749 152 L CB -0.691 41.419 42.059 0.085 0.000 0.901 152 L HN 0.334 nan 8.230 nan 0.000 0.433 153 A N 0.870 123.728 122.820 0.064 0.000 1.908 153 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 153 A C 2.428 180.067 177.584 0.091 0.000 1.181 153 A CA 1.834 53.927 52.037 0.093 0.000 0.627 153 A CB -1.254 17.729 19.000 -0.027 0.000 0.818 153 A HN 0.430 nan 8.150 nan 0.000 0.445 154 G N -0.475 108.339 108.800 0.024 0.000 2.480 154 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 154 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 154 G C 1.510 176.449 174.900 0.066 0.000 1.200 154 G CA 1.421 46.541 45.100 0.033 0.000 0.782 154 G HN 0.360 nan 8.290 nan 0.000 0.554 155 V N 0.920 120.870 119.914 0.060 0.000 2.490 155 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 155 V C 3.042 179.179 176.094 0.071 0.000 1.061 155 V CA 2.145 64.477 62.300 0.053 0.000 1.064 155 V CB -0.239 31.602 31.823 0.031 0.000 0.670 155 V HN 0.516 nan 8.190 nan 0.000 0.461 156 S N -0.399 115.352 115.700 0.085 0.000 2.368 156 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 156 S C 2.218 176.904 174.600 0.143 0.000 1.030 156 S CA 2.123 60.385 58.200 0.104 0.000 0.999 156 S CB -0.234 63.029 63.200 0.104 0.000 0.844 156 S HN 0.573 nan 8.310 nan 0.000 0.459 157 S N 0.904 116.696 115.700 0.153 0.000 2.387 157 S HA 0.145 4.615 4.470 -0.000 0.000 0.226 157 S C 1.735 176.427 174.600 0.153 0.000 1.026 157 S CA 1.089 59.393 58.200 0.172 0.000 0.972 157 S CB -0.378 62.936 63.200 0.189 0.000 0.814 157 S HN 0.530 nan 8.310 nan 0.000 0.477 158 I N 1.554 122.199 120.570 0.125 0.000 2.179 158 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 158 I C 1.962 178.139 176.117 0.099 0.000 1.088 158 I CA 1.103 62.467 61.300 0.107 0.000 1.357 158 I CB -0.374 37.673 38.000 0.077 0.000 1.051 158 I HN 0.242 nan 8.210 nan 0.000 0.409 159 L N 0.224 121.499 121.223 0.085 0.000 2.083 159 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 159 L C 2.579 179.511 176.870 0.103 0.000 1.083 159 L CA 1.606 56.492 54.840 0.077 0.000 0.752 159 L CB -1.158 40.934 42.059 0.055 0.000 0.899 159 L HN 0.342 nan 8.230 nan 0.000 0.433 160 G N -0.789 108.089 108.800 0.129 0.000 2.464 160 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 160 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 160 G C 1.777 176.798 174.900 0.200 0.000 1.138 160 G CA 0.632 45.807 45.100 0.125 0.000 0.793 160 G HN 0.426 nan 8.290 nan 0.000 0.539 161 A N 1.049 123.993 122.820 0.206 0.000 1.898 161 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 161 A C 2.337 180.030 177.584 0.181 0.000 1.181 161 A CA 1.094 53.264 52.037 0.221 0.000 0.620 161 A CB -0.351 18.746 19.000 0.162 0.000 0.819 161 A HN 0.343 nan 8.150 nan 0.000 0.442 162 I N -0.056 120.601 120.570 0.146 0.000 2.208 162 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 162 I C 2.452 178.676 176.117 0.178 0.000 1.097 162 I CA 1.374 62.766 61.300 0.153 0.000 1.363 162 I CB -0.424 37.659 38.000 0.139 0.000 1.051 162 I HN 0.350 nan 8.210 nan 0.000 0.413 163 N N 0.977 119.763 118.700 0.144 0.000 2.120 163 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 163 N C 1.867 177.265 175.510 -0.186 0.000 1.024 163 N CA 1.694 54.745 53.050 0.000 0.000 0.852 163 N CB -0.234 38.194 38.487 -0.098 0.000 1.003 163 N HN 0.239 nan 8.380 nan 0.000 0.424 164 F N 0.808 120.746 119.950 -0.020 0.000 2.163 164 F HA 0.046 4.573 4.527 -0.000 0.000 0.297 164 F C 2.260 178.006 175.800 -0.090 0.000 1.094 164 F CA 0.524 58.479 58.000 -0.075 0.000 1.290 164 F CB -0.111 38.846 39.000 -0.071 0.000 1.017 164 F HN -0.005 nan 8.300 nan 0.000 0.483 165 I N -0.596 120.058 120.570 0.140 0.000 2.179 165 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 165 I C 2.201 178.309 176.117 -0.015 0.000 1.088 165 I CA 1.597 62.927 61.300 0.050 0.000 1.357 165 I CB -0.818 37.219 38.000 0.060 0.000 1.051 165 I HN 0.075 nan 8.210 nan 0.000 0.409 166 T N -0.431 114.105 114.554 -0.030 0.000 2.904 166 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 166 T C 1.908 176.495 174.700 -0.189 0.000 1.059 166 T CA 1.698 63.736 62.100 -0.103 0.000 1.137 166 T CB -0.290 68.489 68.868 -0.149 0.000 0.879 166 T HN 0.338 nan 8.240 nan 0.000 0.467 167 T N 1.968 116.391 114.554 -0.219 0.000 2.788 167 T HA 0.080 4.430 4.350 -0.000 0.000 0.268 167 T C 1.907 176.508 174.700 -0.164 0.000 1.044 167 T CA 0.819 62.780 62.100 -0.230 0.000 1.139 167 T CB -0.264 68.474 68.868 -0.218 0.000 0.867 167 T HN 0.331 nan 8.240 nan 0.000 0.454 168 I N 0.336 120.832 120.570 -0.123 0.000 2.480 168 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 168 I C 1.980 177.987 176.117 -0.183 0.000 1.124 168 I CA 0.645 61.856 61.300 -0.148 0.000 1.444 168 I CB -0.105 37.818 38.000 -0.130 0.000 1.098 168 I HN 0.176 nan 8.210 nan 0.000 0.428 169 I N 0.679 121.155 120.570 -0.156 0.000 2.233 169 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 169 I C 2.040 178.076 176.117 -0.134 0.000 1.093 169 I CA 1.619 62.830 61.300 -0.149 0.000 1.380 169 I CB -1.337 36.600 38.000 -0.104 0.000 1.067 169 I HN 0.280 nan 8.210 nan 0.000 0.413 170 N N 0.149 118.770 118.700 -0.132 0.000 2.356 170 N HA 0.073 4.813 4.740 -0.000 0.000 0.178 170 N C 1.133 176.564 175.510 -0.132 0.000 1.075 170 N CA 0.444 53.422 53.050 -0.121 0.000 0.889 170 N CB 0.209 38.619 38.487 -0.127 0.000 0.999 170 N HN 0.185 nan 8.380 nan 0.000 0.464 171 M N 0.013 119.521 119.600 -0.154 0.000 2.685 171 M HA 0.209 4.689 4.480 -0.000 0.000 0.355 171 M C -0.317 175.890 176.300 -0.154 0.000 1.197 171 M CA -0.215 54.992 55.300 -0.155 0.000 0.947 171 M CB 0.707 33.198 32.600 -0.182 0.000 1.346 171 M HN -0.158 nan 8.290 nan 0.000 0.516 172 K N 1.080 121.393 120.400 -0.145 0.000 2.102 172 K HA 0.387 4.707 4.320 -0.000 0.000 0.244 172 K C -2.360 174.164 176.600 -0.126 0.000 1.021 172 K CA -1.569 54.632 56.287 -0.143 0.000 0.913 172 K CB -0.032 32.386 32.500 -0.137 0.000 1.062 172 K HN -0.105 nan 8.250 nan 0.000 0.485 173 P HA 0.013 nan 4.420 nan 0.000 0.269 173 P C -2.159 175.086 177.300 -0.091 0.000 1.215 173 P CA -0.984 62.055 63.100 -0.102 0.000 0.780 173 P CB 0.104 31.748 31.700 -0.095 0.000 0.898 174 P HA -0.198 nan 4.420 nan 0.000 0.216 174 P C 1.037 178.294 177.300 -0.072 0.000 1.150 174 P CA 1.774 64.829 63.100 -0.075 0.000 0.843 174 P CB -0.307 31.349 31.700 -0.074 0.000 0.787 175 A N -1.281 121.490 122.820 -0.082 0.000 2.167 175 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 175 A C 1.324 178.878 177.584 -0.050 0.000 1.151 175 A CA 0.086 52.083 52.037 -0.068 0.000 0.735 175 A CB -1.020 17.928 19.000 -0.087 0.000 0.802 175 A HN 0.199 nan 8.150 nan 0.000 0.467 176 M N 2.135 121.701 119.600 -0.057 0.000 2.143 176 M HA 0.286 4.766 4.480 -0.000 0.000 0.348 176 M C 0.445 176.716 176.300 -0.049 0.000 1.375 176 M CA -0.215 55.058 55.300 -0.044 0.000 1.124 176 M CB 0.503 33.070 32.600 -0.054 0.000 1.669 176 M HN 0.402 nan 8.290 nan 0.000 0.469 177 S N 3.435 119.123 115.700 -0.019 0.000 2.661 177 S HA 0.133 4.603 4.470 -0.000 0.000 0.265 177 S C 0.697 175.232 174.600 -0.108 0.000 1.225 177 S CA -0.407 57.764 58.200 -0.048 0.000 0.986 177 S CB 1.185 64.405 63.200 0.034 0.000 1.008 177 S HN 0.843 nan 8.310 nan 0.000 0.565 178 Q N -0.401 119.237 119.800 -0.269 0.000 2.226 178 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 178 Q C 0.718 176.677 176.000 -0.067 0.000 0.975 178 Q CA 1.666 57.236 55.803 -0.389 0.000 0.866 178 Q CB -0.598 27.773 28.738 -0.612 0.000 0.915 178 Q HN 0.846 nan 8.270 nan 0.000 0.440 179 Y N -0.695 119.825 120.300 0.366 0.000 2.477 179 Y HA 0.159 4.709 4.550 -0.000 0.000 0.303 179 Y C 0.679 176.756 175.900 0.295 0.000 1.202 179 Y CA 0.239 58.658 58.100 0.531 0.000 1.282 179 Y CB 0.111 38.795 38.460 0.374 0.000 1.071 179 Y HN 0.110 nan 8.280 nan 0.000 0.510 180 Q N -0.170 119.783 119.800 0.255 0.000 2.157 180 Q HA 0.139 4.479 4.340 -0.000 0.000 0.229 180 Q C 0.149 176.230 176.000 0.135 0.000 0.827 180 Q CA -0.209 55.654 55.803 0.100 0.000 1.055 180 Q CB 0.754 29.519 28.738 0.045 0.000 1.157 180 Q HN 0.269 nan 8.270 nan 0.000 0.482 181 T N -2.707 111.999 114.554 0.254 0.000 2.895 181 T HA 0.615 4.965 4.350 -0.000 0.000 0.283 181 T C -2.610 172.349 174.700 0.433 0.000 1.014 181 T CA -2.441 59.764 62.100 0.175 0.000 1.037 181 T CB 1.736 70.555 68.868 -0.082 0.000 1.006 181 T HN -0.236 nan 8.240 nan 0.000 0.468 182 P HA 0.191 nan 4.420 nan 0.000 0.269 182 P C 1.066 178.774 177.300 0.679 0.000 1.215 182 P CA -0.479 62.949 63.100 0.547 0.000 0.780 182 P CB 0.445 32.495 31.700 0.582 0.000 0.898 183 L N 0.762 122.408 121.223 0.705 0.000 2.187 183 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 183 L C 2.075 179.314 176.870 0.615 0.000 1.100 183 L CA 1.406 56.608 54.840 0.604 0.000 0.765 183 L CB -0.594 41.725 42.059 0.432 0.000 0.904 183 L HN 0.415 nan 8.230 nan 0.000 0.437 184 F N 0.028 120.327 119.950 0.582 0.000 2.186 184 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 184 F C 2.143 178.035 175.800 0.154 0.000 1.090 184 F CA 1.165 59.283 58.000 0.197 0.000 1.307 184 F CB -0.207 38.664 39.000 -0.215 0.000 1.019 184 F HN -0.258 nan 8.300 nan 0.000 0.489 185 V N -0.949 119.046 119.914 0.135 0.000 2.379 185 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 185 V C 2.074 178.107 176.094 -0.101 0.000 1.044 185 V CA 1.884 64.127 62.300 -0.096 0.000 1.036 185 V CB -1.031 30.786 31.823 -0.010 0.000 0.664 185 V HN 0.491 nan 8.190 nan 0.000 0.453 186 W N 0.844 122.143 121.300 -0.002 0.000 2.350 186 W HA -0.244 4.416 4.660 -0.000 0.000 0.289 186 W C 2.943 179.423 176.519 -0.065 0.000 1.215 186 W CA 1.567 58.903 57.345 -0.016 0.000 1.236 186 W CB -0.292 29.189 29.460 0.034 0.000 1.130 186 W HN 0.394 nan 8.180 nan 0.000 0.541 187 S N -0.738 115.052 115.700 0.150 0.000 2.387 187 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 187 S C 1.681 176.193 174.600 -0.146 0.000 1.026 187 S CA 1.380 59.612 58.200 0.052 0.000 0.972 187 S CB -0.881 62.371 63.200 0.087 0.000 0.814 187 S HN 0.055 nan 8.310 nan 0.000 0.477 188 V N 1.944 121.632 119.914 -0.377 0.000 2.323 188 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 188 V C 2.631 178.557 176.094 -0.280 0.000 1.041 188 V CA 2.140 64.136 62.300 -0.507 0.000 1.025 188 V CB -0.745 30.570 31.823 -0.845 0.000 0.656 188 V HN 0.584 nan 8.190 nan 0.000 0.451 189 M N -0.099 119.402 119.600 -0.166 0.000 2.082 189 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 189 M C 2.027 178.344 176.300 0.027 0.000 1.069 189 M CA 2.199 57.464 55.300 -0.058 0.000 1.102 189 M CB -0.396 32.156 32.600 -0.080 0.000 1.336 189 M HN 0.264 nan 8.290 nan 0.000 0.404 190 I N -0.769 119.855 120.570 0.090 0.000 2.151 190 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 190 I C 2.238 178.407 176.117 0.086 0.000 1.080 190 I CA 1.892 63.268 61.300 0.127 0.000 1.339 190 I CB -1.132 36.974 38.000 0.178 0.000 1.039 190 I HN 0.365 nan 8.210 nan 0.000 0.409 191 T N 0.597 115.163 114.554 0.020 0.000 2.746 191 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 191 T C 2.004 176.722 174.700 0.030 0.000 1.039 191 T CA 1.516 63.616 62.100 -0.001 0.000 1.142 191 T CB -0.259 68.556 68.868 -0.089 0.000 0.866 191 T HN 0.508 nan 8.240 nan 0.000 0.444 192 A N 0.605 123.433 122.820 0.013 0.000 1.969 192 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 192 A C 2.506 180.156 177.584 0.111 0.000 1.169 192 A CA 1.068 53.148 52.037 0.072 0.000 0.635 192 A CB -0.703 18.350 19.000 0.088 0.000 0.810 192 A HN 0.378 nan 8.150 nan 0.000 0.445 193 V N 0.215 120.197 119.914 0.114 0.000 2.453 193 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 193 V C 2.490 178.698 176.094 0.190 0.000 1.048 193 V CA 1.517 63.896 62.300 0.133 0.000 1.049 193 V CB -0.680 31.221 31.823 0.130 0.000 0.672 193 V HN 0.557 nan 8.190 nan 0.000 0.457 194 L N -0.700 120.660 121.223 0.229 0.000 2.079 194 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 194 L C 2.433 179.467 176.870 0.274 0.000 1.081 194 L CA 1.571 56.605 54.840 0.325 0.000 0.752 194 L CB -0.605 41.556 42.059 0.170 0.000 0.896 194 L HN 0.320 nan 8.230 nan 0.000 0.433 195 L N -0.622 120.713 121.223 0.186 0.000 2.017 195 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 195 L C 2.586 179.576 176.870 0.200 0.000 1.073 195 L CA 0.973 55.928 54.840 0.191 0.000 0.745 195 L CB -0.444 41.709 42.059 0.156 0.000 0.894 195 L HN 0.211 nan 8.230 nan 0.000 0.432 196 L N -0.512 120.813 121.223 0.170 0.000 2.079 196 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 196 L C 2.198 179.153 176.870 0.141 0.000 1.081 196 L CA 1.778 56.700 54.840 0.136 0.000 0.752 196 L CB -0.209 41.916 42.059 0.109 0.000 0.896 196 L HN 0.144 nan 8.230 nan 0.000 0.433 197 L N -1.574 119.756 121.223 0.178 0.000 2.249 197 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 197 L C 2.512 179.572 176.870 0.317 0.000 1.090 197 L CA 0.941 55.880 54.840 0.164 0.000 0.802 197 L CB -0.411 41.648 42.059 0.000 0.000 0.947 197 L HN 0.447 nan 8.230 nan 0.000 0.453 198 S N -0.321 115.631 115.700 0.420 0.000 2.404 198 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 198 S C 1.935 176.754 174.600 0.365 0.000 1.040 198 S CA 0.262 58.731 58.200 0.448 0.000 0.957 198 S CB -0.524 62.870 63.200 0.323 0.000 0.826 198 S HN 0.258 nan 8.310 nan 0.000 0.491 199 L N 1.818 123.205 121.223 0.273 0.000 2.079 199 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 199 L C -0.770 176.097 176.870 -0.005 0.000 1.081 199 L CA 1.209 56.089 54.840 0.066 0.000 0.752 199 L CB -1.296 40.810 42.059 0.077 0.000 0.896 199 L HN 0.291 nan 8.230 nan 0.000 0.433 200 P HA -0.100 nan 4.420 nan 0.000 0.221 200 P C 1.850 179.146 177.300 -0.007 0.000 1.150 200 P CA 0.976 64.087 63.100 0.018 0.000 0.800 200 P CB 0.085 31.805 31.700 0.033 0.000 0.787 201 V N -0.431 119.502 119.914 0.032 0.000 2.427 201 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 201 V C 2.367 178.410 176.094 -0.085 0.000 1.051 201 V CA 1.253 63.547 62.300 -0.010 0.000 1.048 201 V CB -1.190 30.691 31.823 0.097 0.000 0.666 201 V HN 0.056 nan 8.190 nan 0.000 0.456 202 L N 1.207 122.336 121.223 -0.157 0.000 1.989 202 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 202 L C 2.530 179.255 176.870 -0.242 0.000 1.071 202 L CA 2.447 57.069 54.840 -0.363 0.000 0.749 202 L CB -1.095 40.465 42.059 -0.830 0.000 0.890 202 L HN 0.227 nan 8.230 nan 0.000 0.431 203 A N -0.495 122.225 122.820 -0.167 0.000 1.892 203 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 203 A C 2.464 180.044 177.584 -0.007 0.000 1.188 203 A CA 2.360 54.379 52.037 -0.031 0.000 0.631 203 A CB -1.336 17.694 19.000 0.050 0.000 0.822 203 A HN 0.622 nan 8.150 nan 0.000 0.447 204 A N -0.578 122.214 122.820 -0.046 0.000 1.865 204 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 204 A C 2.509 180.050 177.584 -0.071 0.000 1.191 204 A CA 2.186 54.184 52.037 -0.065 0.000 0.623 204 A CB -1.585 17.359 19.000 -0.094 0.000 0.826 204 A HN 0.856 nan 8.150 nan 0.000 0.444 205 G N 0.613 109.370 108.800 -0.072 0.000 2.476 205 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 205 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 205 G C 1.478 176.458 174.900 0.132 0.000 1.164 205 G CA 1.405 46.504 45.100 -0.002 0.000 0.768 205 G HN 0.862 nan 8.290 nan 0.000 0.560 206 I N -2.196 118.394 120.570 0.033 0.000 3.226 206 I HA 0.109 4.279 4.170 -0.000 0.000 0.277 206 I C 2.259 178.375 176.117 -0.002 0.000 1.243 206 I CA 1.139 62.459 61.300 0.033 0.000 1.459 206 I CB -0.561 37.326 38.000 -0.188 0.000 1.093 206 I HN -0.089 nan 8.210 nan 0.000 0.453 207 T N 1.653 116.232 114.554 0.041 0.000 2.777 207 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 207 T C 1.934 176.658 174.700 0.040 0.000 1.040 207 T CA 1.698 63.855 62.100 0.096 0.000 1.141 207 T CB -0.181 68.761 68.868 0.124 0.000 0.868 207 T HN 0.304 nan 8.240 nan 0.000 0.444 208 M N 0.285 119.861 119.600 -0.041 0.000 2.229 208 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 208 M C 2.181 178.572 176.300 0.151 0.000 1.063 208 M CA 1.005 56.187 55.300 -0.197 0.000 1.114 208 M CB -0.313 31.837 32.600 -0.750 0.000 1.387 208 M HN 0.174 nan 8.290 nan 0.000 0.420 209 L N 0.399 121.847 121.223 0.375 0.000 2.056 209 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 209 L C 2.107 179.060 176.870 0.138 0.000 1.078 209 L CA 1.539 56.600 54.840 0.368 0.000 0.749 209 L CB -0.679 41.523 42.059 0.238 0.000 0.901 209 L HN 0.190 nan 8.230 nan 0.000 0.433 210 L N -0.471 120.786 121.223 0.056 0.000 2.012 210 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 210 L C 2.636 179.539 176.870 0.055 0.000 1.073 210 L CA 2.597 57.432 54.840 -0.008 0.000 0.748 210 L CB -1.038 40.995 42.059 -0.044 0.000 0.891 210 L HN 0.645 nan 8.230 nan 0.000 0.431 211 T N -4.682 109.933 114.554 0.103 0.000 2.821 211 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 211 T C 1.661 176.424 174.700 0.106 0.000 1.046 211 T CA 1.231 63.404 62.100 0.122 0.000 1.139 211 T CB -0.610 68.368 68.868 0.184 0.000 0.871 211 T HN 0.273 nan 8.240 nan 0.000 0.454 212 D N 1.160 121.639 120.400 0.132 0.000 2.178 212 D HA 0.044 4.684 4.640 -0.000 0.000 0.202 212 D C 2.440 178.780 176.300 0.067 0.000 0.974 212 D CA 0.689 54.742 54.000 0.088 0.000 0.841 212 D CB -0.177 40.702 40.800 0.132 0.000 0.953 212 D HN 0.434 nan 8.370 nan 0.000 0.478 213 R N -0.250 120.291 120.500 0.067 0.000 2.148 213 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 213 R C 1.030 177.354 176.300 0.040 0.000 1.088 213 R CA 0.821 56.948 56.100 0.045 0.000 0.985 213 R CB 0.191 30.506 30.300 0.025 0.000 0.880 213 R HN 0.180 nan 8.270 nan 0.000 0.451 214 N N -1.286 117.440 118.700 0.044 0.000 2.075 214 N HA 0.108 4.848 4.740 -0.000 0.000 0.226 214 N C 0.610 176.146 175.510 0.043 0.000 1.343 214 N CA 0.199 53.277 53.050 0.047 0.000 0.881 214 N CB 1.210 39.733 38.487 0.060 0.000 1.100 214 N HN 0.084 nan 8.380 nan 0.000 0.495 215 L N 0.625 121.873 121.223 0.041 0.000 3.184 215 L HA 0.295 4.635 4.340 -0.000 0.000 0.283 215 L C -0.163 176.712 176.870 0.007 0.000 1.218 215 L CA 0.023 54.882 54.840 0.031 0.000 1.028 215 L CB 0.182 42.268 42.059 0.044 0.000 1.400 215 L HN -0.062 nan 8.230 nan 0.000 0.591 216 N N 0.644 119.345 118.700 0.001 0.000 2.776 216 N HA -0.127 4.613 4.740 -0.000 0.000 0.250 216 N C 0.467 175.937 175.510 -0.067 0.000 1.112 216 N CA 1.301 54.337 53.050 -0.023 0.000 0.733 216 N CB -1.313 37.162 38.487 -0.020 0.000 1.097 216 N HN 0.536 nan 8.380 nan 0.000 0.558 217 T N -2.499 112.007 114.554 -0.079 0.000 2.849 217 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 217 T C 1.161 175.729 174.700 -0.219 0.000 1.004 217 T CA 0.322 62.293 62.100 -0.216 0.000 1.021 217 T CB 1.658 70.385 68.868 -0.234 0.000 1.013 217 T HN 0.227 nan 8.240 nan 0.000 0.527 218 T N -1.561 112.762 114.554 -0.385 0.000 3.571 218 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 218 T C 0.728 175.252 174.700 -0.294 0.000 0.994 218 T CA -0.625 61.334 62.100 -0.234 0.000 0.996 218 T CB -0.882 67.893 68.868 -0.155 0.000 1.185 218 T HN 0.470 nan 8.240 nan 0.000 0.482 219 F N 0.935 120.678 119.950 -0.345 0.000 2.154 219 F HA 0.012 4.539 4.527 -0.000 0.000 0.301 219 F C 1.282 176.814 175.800 -0.447 0.000 1.087 219 F CA 1.391 59.051 58.000 -0.566 0.000 1.274 219 F CB -0.352 37.962 39.000 -1.143 0.000 1.009 219 F HN 0.339 nan 8.300 nan 0.000 0.485 220 F N -1.818 118.260 119.950 0.214 0.000 2.706 220 F HA 0.219 4.746 4.527 -0.000 0.000 0.313 220 F C 0.143 175.986 175.800 0.072 0.000 1.096 220 F CA -0.917 57.164 58.000 0.135 0.000 1.219 220 F CB -0.227 38.841 39.000 0.113 0.000 1.051 220 F HN -0.282 nan 8.300 nan 0.000 0.568 221 D N 1.761 122.245 120.400 0.140 0.000 2.427 221 D HA 0.268 4.908 4.640 -0.000 0.000 0.226 221 D C -2.017 174.316 176.300 0.054 0.000 1.076 221 D CA -2.517 51.534 54.000 0.084 0.000 0.849 221 D CB 2.031 42.854 40.800 0.039 0.000 1.052 221 D HN -0.108 nan 8.370 nan 0.000 0.515 222 P HA -0.129 nan 4.420 nan 0.000 0.217 222 P C 1.043 178.359 177.300 0.026 0.000 1.148 222 P CA 1.188 64.317 63.100 0.048 0.000 0.828 222 P CB 0.210 31.941 31.700 0.052 0.000 0.783 223 A N -0.258 122.574 122.820 0.021 0.000 2.024 223 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 223 A C 2.237 179.816 177.584 -0.008 0.000 1.164 223 A CA 1.919 53.961 52.037 0.008 0.000 0.643 223 A CB -1.620 17.384 19.000 0.007 0.000 0.806 223 A HN 0.332 nan 8.150 nan 0.000 0.451 224 G N -2.543 106.245 108.800 -0.021 0.000 3.189 224 G HA2 0.397 4.357 3.960 -0.000 0.000 0.225 224 G HA3 0.397 4.357 3.960 -0.000 0.000 0.225 224 G C 1.050 175.923 174.900 -0.047 0.000 1.159 224 G CA 0.457 45.527 45.100 -0.049 0.000 0.763 224 G HN 1.586 nan 8.290 nan 0.000 0.549 225 G N -1.129 107.661 108.800 -0.017 0.000 2.141 225 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.242 225 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.242 225 G C 0.761 175.668 174.900 0.011 0.000 0.982 225 G CA 0.274 45.372 45.100 -0.004 0.000 0.662 225 G HN 0.989 nan 8.290 nan 0.000 0.527 226 G N -1.020 107.788 108.800 0.014 0.000 2.531 226 G HA2 0.558 4.518 3.960 -0.000 0.000 0.281 226 G HA3 0.558 4.518 3.960 -0.000 0.000 0.281 226 G C -0.871 174.103 174.900 0.123 0.000 1.382 226 G CA 0.473 45.607 45.100 0.056 0.000 1.045 226 G HN 0.538 nan 8.290 nan 0.000 0.533 227 D N -1.682 118.850 120.400 0.220 0.000 2.591 227 D HA 0.319 4.959 4.640 -0.000 0.000 0.222 227 D C -2.118 174.356 176.300 0.289 0.000 1.360 227 D CA -1.457 52.672 54.000 0.216 0.000 0.967 227 D CB 2.103 43.018 40.800 0.192 0.000 1.456 227 D HN -0.063 nan 8.370 nan 0.000 0.588 228 P HA -0.087 nan 4.420 nan 0.000 0.219 228 P C 1.542 178.821 177.300 -0.034 0.000 1.146 228 P CA 0.458 63.601 63.100 0.072 0.000 0.808 228 P CB 0.334 32.041 31.700 0.011 0.000 0.779 229 I N -1.429 119.153 120.570 0.020 0.000 2.546 229 I HA -0.127 4.043 4.170 -0.000 0.000 0.255 229 I C 2.093 178.223 176.117 0.022 0.000 1.163 229 I CA 0.791 62.063 61.300 -0.047 0.000 1.457 229 I CB -1.606 36.398 38.000 0.006 0.000 1.092 229 I HN -0.018 nan 8.210 nan 0.000 0.434 230 L N 0.510 121.849 121.223 0.194 0.000 2.012 230 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 230 L C 2.604 179.556 176.870 0.135 0.000 1.073 230 L CA 1.915 56.934 54.840 0.298 0.000 0.748 230 L CB -1.220 41.103 42.059 0.440 0.000 0.891 230 L HN 0.274 nan 8.230 nan 0.000 0.431 231 Y N 0.306 120.420 120.300 -0.311 0.000 2.139 231 Y HA -0.363 4.187 4.550 -0.000 0.000 0.282 231 Y C 2.580 178.281 175.900 -0.333 0.000 1.179 231 Y CA 2.431 60.093 58.100 -0.731 0.000 1.161 231 Y CB -0.324 37.296 38.460 -1.401 0.000 0.970 231 Y HN 0.425 nan 8.280 nan 0.000 0.511 232 Q N -1.188 118.447 119.800 -0.276 0.000 2.050 232 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 232 Q C 2.136 178.156 176.000 0.034 0.000 0.980 232 Q CA 1.588 57.273 55.803 -0.198 0.000 0.840 232 Q CB -0.429 28.130 28.738 -0.298 0.000 0.898 232 Q HN 0.621 nan 8.270 nan 0.000 0.424 233 H N 0.658 119.814 119.070 0.144 0.000 2.289 233 H HA -0.165 4.391 4.556 -0.000 0.000 0.294 233 H C 2.243 177.564 175.328 -0.011 0.000 1.095 233 H CA 1.431 57.607 56.048 0.214 0.000 1.256 233 H CB -0.424 29.465 29.762 0.213 0.000 1.359 233 H HN 0.224 nan 8.280 nan 0.000 0.487 234 L N -0.586 120.632 121.223 -0.008 0.000 2.083 234 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 234 L C 2.579 179.338 176.870 -0.184 0.000 1.083 234 L CA 0.964 55.723 54.840 -0.136 0.000 0.752 234 L CB -0.495 41.456 42.059 -0.181 0.000 0.899 234 L HN 0.098 nan 8.230 nan 0.000 0.433 235 F N -0.303 119.346 119.950 -0.501 0.000 2.102 235 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 235 F C 2.000 177.584 175.800 -0.359 0.000 1.105 235 F CA 1.542 59.195 58.000 -0.579 0.000 1.239 235 F CB -0.353 38.081 39.000 -0.942 0.000 0.991 235 F HN -0.027 nan 8.300 nan 0.000 0.474 236 W N -1.284 120.078 121.300 0.102 0.000 2.518 236 W HA -0.077 4.583 4.660 -0.000 0.000 0.273 236 W C 2.232 178.703 176.519 -0.080 0.000 1.247 236 W CA 0.429 57.790 57.345 0.026 0.000 1.288 236 W CB -0.619 28.971 29.460 0.217 0.000 1.107 236 W HN 0.068 nan 8.180 nan 0.000 0.586 237 F N 0.083 119.923 119.950 -0.182 0.000 2.202 237 F HA -0.273 4.254 4.527 -0.000 0.000 0.301 237 F C 2.160 177.859 175.800 -0.168 0.000 1.082 237 F CA 1.753 59.507 58.000 -0.409 0.000 1.313 237 F CB -0.558 38.053 39.000 -0.649 0.000 1.024 237 F HN -0.023 nan 8.300 nan 0.000 0.495 238 F N 0.192 120.030 119.950 -0.187 0.000 2.270 238 F HA 0.208 4.735 4.527 -0.000 0.000 0.295 238 F C 2.189 177.785 175.800 -0.341 0.000 1.087 238 F CA 1.303 59.135 58.000 -0.279 0.000 1.365 238 F CB -1.088 37.714 39.000 -0.330 0.000 1.056 238 F HN -0.113 nan 8.300 nan 0.000 0.506 239 G N -0.826 107.465 108.800 -0.847 0.000 2.408 239 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 239 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 239 G C 1.421 176.135 174.900 -0.310 0.000 1.150 239 G CA 1.116 45.733 45.100 -0.805 0.000 0.776 239 G HN 0.539 nan 8.290 nan 0.000 0.542 240 H N 1.636 120.652 119.070 -0.090 0.000 2.276 240 H HA 0.019 4.575 4.556 -0.000 0.000 0.301 240 H C 0.217 175.469 175.328 -0.126 0.000 1.073 240 H CA 1.606 57.654 56.048 0.001 0.000 1.311 240 H CB -0.596 29.247 29.762 0.136 0.000 1.379 240 H HN 0.214 nan 8.280 nan 0.000 0.494 241 P HA -0.211 nan 4.420 nan 0.000 0.216 241 P C 1.293 178.342 177.300 -0.419 0.000 1.154 241 P CA 2.144 64.999 63.100 -0.407 0.000 0.865 241 P CB -0.036 31.196 31.700 -0.779 0.000 0.789 242 E N -0.135 119.657 120.200 -0.681 0.000 2.136 242 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 242 E C 1.654 177.960 176.600 -0.490 0.000 1.019 242 E CA 1.974 57.976 56.400 -0.664 0.000 0.819 242 E CB -1.213 27.878 29.700 -1.015 0.000 0.739 242 E HN 0.182 nan 8.360 nan 0.000 0.458 243 V N -1.802 117.770 119.914 -0.571 0.000 2.871 243 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 243 V C 1.842 177.542 176.094 -0.657 0.000 1.082 243 V CA 1.445 63.395 62.300 -0.584 0.000 1.105 243 V CB -1.008 30.451 31.823 -0.607 0.000 0.713 243 V HN 0.205 nan 8.190 nan 0.000 0.473 244 Y N 0.439 120.545 120.300 -0.323 0.000 2.314 244 Y HA 0.169 4.719 4.550 -0.000 0.000 0.293 244 Y C 2.315 178.090 175.900 -0.209 0.000 1.129 244 Y CA 1.502 59.482 58.100 -0.200 0.000 1.201 244 Y CB -0.429 37.968 38.460 -0.105 0.000 0.999 244 Y HN 0.180 nan 8.280 nan 0.000 0.541 245 I N -0.426 120.061 120.570 -0.137 0.000 2.226 245 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 245 I C 1.985 177.998 176.117 -0.174 0.000 1.100 245 I CA 1.290 62.512 61.300 -0.130 0.000 1.374 245 I CB -0.368 37.557 38.000 -0.124 0.000 1.057 245 I HN 0.200 nan 8.210 nan 0.000 0.413 246 L N -0.391 120.688 121.223 -0.240 0.000 2.131 246 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 246 L C 2.329 179.072 176.870 -0.212 0.000 1.092 246 L CA 1.094 55.797 54.840 -0.229 0.000 0.759 246 L CB -0.256 41.630 42.059 -0.289 0.000 0.903 246 L HN 0.273 nan 8.230 nan 0.000 0.435 247 I N -1.260 119.137 120.570 -0.288 0.000 3.265 247 I HA -0.065 4.105 4.170 -0.000 0.000 0.282 247 I C 2.023 177.779 176.117 -0.603 0.000 1.207 247 I CA 0.760 61.817 61.300 -0.405 0.000 1.449 247 I CB 0.200 37.902 38.000 -0.497 0.000 1.121 247 I HN 0.016 nan 8.210 nan 0.000 0.442 248 L N 1.289 122.259 121.223 -0.421 0.000 2.012 248 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 248 L C -0.438 176.402 176.870 -0.049 0.000 1.073 248 L CA 1.668 56.366 54.840 -0.237 0.000 0.748 248 L CB -1.745 40.286 42.059 -0.047 0.000 0.891 248 L HN 0.203 nan 8.230 nan 0.000 0.431 249 P HA -0.109 nan 4.420 nan 0.000 0.220 249 P C 1.497 178.895 177.300 0.164 0.000 1.148 249 P CA 1.525 64.666 63.100 0.068 0.000 0.803 249 P CB -0.195 31.528 31.700 0.038 0.000 0.782 250 G N -0.855 107.949 108.800 0.006 0.000 2.433 250 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 250 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 250 G C 1.468 176.357 174.900 -0.019 0.000 1.186 250 G CA 0.324 45.386 45.100 -0.063 0.000 0.779 250 G HN 0.221 nan 8.290 nan 0.000 0.543 251 F N 1.270 121.218 119.950 -0.004 0.000 2.120 251 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 251 F C 2.999 178.948 175.800 0.249 0.000 1.095 251 F CA 0.407 58.500 58.000 0.155 0.000 1.249 251 F CB -0.138 39.049 39.000 0.311 0.000 0.995 251 F HN 0.280 nan 8.300 nan 0.000 0.480 252 G N -0.271 108.819 108.800 0.484 0.000 2.422 252 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 252 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 252 G C 1.579 176.790 174.900 0.518 0.000 1.140 252 G CA 0.412 45.843 45.100 0.551 0.000 0.775 252 G HN 0.225 nan 8.290 nan 0.000 0.545 253 M N 0.165 119.946 119.600 0.302 0.000 2.156 253 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 253 M C 2.408 178.725 176.300 0.027 0.000 1.067 253 M CA 0.824 56.180 55.300 0.094 0.000 1.131 253 M CB -0.259 32.282 32.600 -0.099 0.000 1.368 253 M HN 0.083 nan 8.290 nan 0.000 0.416 254 I N 0.221 120.693 120.570 -0.163 0.000 2.163 254 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 254 I C 2.458 178.440 176.117 -0.226 0.000 1.085 254 I CA 1.512 62.540 61.300 -0.453 0.000 1.347 254 I CB -1.369 35.963 38.000 -1.113 0.000 1.044 254 I HN 0.241 nan 8.210 nan 0.000 0.408 255 S N -0.335 115.469 115.700 0.172 0.000 2.365 255 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 255 S C 1.899 176.674 174.600 0.290 0.000 1.039 255 S CA 1.246 59.704 58.200 0.430 0.000 1.033 255 S CB -0.565 62.991 63.200 0.594 0.000 0.887 255 S HN 0.512 nan 8.310 nan 0.000 0.447 256 H N 0.223 119.409 119.070 0.194 0.000 2.357 256 H HA 0.056 4.612 4.556 -0.000 0.000 0.301 256 H C 2.161 177.470 175.328 -0.031 0.000 1.082 256 H CA 1.370 57.518 56.048 0.165 0.000 1.342 256 H CB -0.150 29.784 29.762 0.287 0.000 1.389 256 H HN 0.347 nan 8.280 nan 0.000 0.511 257 I N 0.143 120.696 120.570 -0.029 0.000 2.202 257 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 257 I C 2.520 178.642 176.117 0.008 0.000 1.091 257 I CA 0.590 61.786 61.300 -0.172 0.000 1.368 257 I CB -0.109 37.776 38.000 -0.192 0.000 1.058 257 I HN -0.007 nan 8.210 nan 0.000 0.410 258 V N 0.477 120.379 119.914 -0.020 0.000 2.343 258 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 258 V C 2.501 178.625 176.094 0.050 0.000 1.051 258 V CA 2.467 64.772 62.300 0.008 0.000 1.036 258 V CB -0.935 30.874 31.823 -0.023 0.000 0.654 258 V HN 0.471 nan 8.190 nan 0.000 0.451 259 T N -1.029 113.568 114.554 0.073 0.000 2.643 259 T HA -0.259 4.091 4.350 -0.000 0.000 0.264 259 T C 1.733 176.413 174.700 -0.033 0.000 1.045 259 T CA 2.214 64.346 62.100 0.052 0.000 1.155 259 T CB -0.444 68.465 68.868 0.067 0.000 0.863 259 T HN 0.522 nan 8.240 nan 0.000 0.420 260 Y N 0.730 120.903 120.300 -0.212 0.000 2.081 260 Y HA -0.276 4.274 4.550 -0.000 0.000 0.280 260 Y C 1.933 177.538 175.900 -0.490 0.000 1.163 260 Y CA 1.577 59.426 58.100 -0.417 0.000 1.135 260 Y CB -0.398 37.669 38.460 -0.655 0.000 0.970 260 Y HN 0.275 nan 8.280 nan 0.000 0.498 261 Y N -1.367 118.924 120.300 -0.015 0.000 2.529 261 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 261 Y C 2.222 178.021 175.900 -0.168 0.000 1.177 261 Y CA 0.807 58.853 58.100 -0.090 0.000 1.305 261 Y CB -0.100 38.294 38.460 -0.110 0.000 1.047 261 Y HN 0.003 nan 8.280 nan 0.000 0.522 262 S N -0.829 114.842 115.700 -0.049 0.000 2.593 262 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 262 S C 1.794 176.330 174.600 -0.107 0.000 0.966 262 S CA 0.620 58.777 58.200 -0.073 0.000 0.914 262 S CB -0.363 62.820 63.200 -0.029 0.000 0.776 262 S HN 0.668 nan 8.310 nan 0.000 0.523 263 G N 1.668 110.355 108.800 -0.188 0.000 2.225 263 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.267 263 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.267 263 G C -0.064 174.743 174.900 -0.156 0.000 1.024 263 G CA 0.309 45.278 45.100 -0.218 0.000 0.784 263 G HN 0.318 nan 8.290 nan 0.000 0.507 264 K N -0.257 120.071 120.400 -0.120 0.000 2.095 264 K HA 0.540 4.860 4.320 -0.000 0.000 0.252 264 K C 1.443 178.005 176.600 -0.063 0.000 0.977 264 K CA -0.531 55.722 56.287 -0.057 0.000 0.900 264 K CB 1.051 33.555 32.500 0.006 0.000 1.060 264 K HN 0.355 nan 8.250 nan 0.000 0.449 265 K N 0.229 120.612 120.400 -0.028 0.000 2.365 265 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 265 K C -0.206 176.405 176.600 0.019 0.000 1.042 265 K CA 0.668 56.947 56.287 -0.014 0.000 0.987 265 K CB 0.200 32.694 32.500 -0.010 0.000 0.779 265 K HN 0.629 nan 8.250 nan 0.000 0.484 266 E N 0.434 120.657 120.200 0.039 0.000 2.407 266 E HA 0.315 4.665 4.350 -0.000 0.000 0.279 266 E C -3.049 173.622 176.600 0.119 0.000 1.012 266 E CA -2.431 54.012 56.400 0.072 0.000 0.800 266 E CB 1.451 31.182 29.700 0.052 0.000 1.276 266 E HN -0.164 nan 8.360 nan 0.000 0.452 267 P HA 0.094 nan 4.420 nan 0.000 0.274 267 P C -0.664 176.787 177.300 0.251 0.000 1.231 267 P CA -0.346 62.895 63.100 0.235 0.000 0.790 267 P CB 0.480 32.335 31.700 0.258 0.000 0.951 268 F N 1.810 121.835 119.950 0.123 0.000 2.484 268 F HA 0.381 4.908 4.527 -0.000 0.000 0.360 268 F C 1.287 177.136 175.800 0.081 0.000 1.101 268 F CA 1.333 59.391 58.000 0.097 0.000 1.251 268 F CB -0.064 38.992 39.000 0.094 0.000 1.132 268 F HN 0.713 nan 8.300 nan 0.000 0.570 269 G N 5.567 114.017 108.800 -0.584 0.000 2.324 269 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.292 269 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.292 269 G C 0.332 175.192 174.900 -0.066 0.000 1.079 269 G CA 0.465 45.325 45.100 -0.400 0.000 1.026 269 G HN 1.061 nan 8.290 nan 0.000 0.506 270 Y N 0.300 120.525 120.300 -0.125 0.000 2.081 270 Y HA -0.246 4.304 4.550 -0.000 0.000 0.280 270 Y C 2.664 178.528 175.900 -0.060 0.000 1.163 270 Y CA 2.676 60.755 58.100 -0.036 0.000 1.135 270 Y CB -0.086 38.375 38.460 0.001 0.000 0.970 270 Y HN 0.383 nan 8.280 nan 0.000 0.498 271 M N -0.005 119.632 119.600 0.061 0.000 2.229 271 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 271 M C 2.454 178.674 176.300 -0.135 0.000 1.063 271 M CA 1.360 56.600 55.300 -0.101 0.000 1.114 271 M CB -1.930 30.648 32.600 -0.037 0.000 1.387 271 M HN 0.517 nan 8.290 nan 0.000 0.420 272 G N 0.258 109.004 108.800 -0.090 0.000 2.442 272 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 272 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 272 G C 1.532 176.453 174.900 0.036 0.000 1.141 272 G CA 0.674 45.772 45.100 -0.004 0.000 0.763 272 G HN 0.292 nan 8.290 nan 0.000 0.554 273 M N 0.183 119.711 119.600 -0.119 0.000 2.254 273 M HA 0.063 4.543 4.480 -0.000 0.000 0.265 273 M C 2.714 178.855 176.300 -0.264 0.000 1.066 273 M CA 0.597 55.788 55.300 -0.180 0.000 1.123 273 M CB -0.760 31.730 32.600 -0.184 0.000 1.388 273 M HN 0.122 nan 8.290 nan 0.000 0.425 274 V N -1.008 118.635 119.914 -0.451 0.000 2.307 274 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 274 V C 2.075 177.950 176.094 -0.364 0.000 1.045 274 V CA 1.731 63.616 62.300 -0.692 0.000 1.024 274 V CB -0.751 30.404 31.823 -1.113 0.000 0.651 274 V HN 0.645 nan 8.190 nan 0.000 0.449 275 W N 1.162 122.252 121.300 -0.350 0.000 2.342 275 W HA -0.205 4.455 4.660 -0.000 0.000 0.297 275 W C 2.325 178.755 176.519 -0.148 0.000 1.213 275 W CA 2.064 59.280 57.345 -0.216 0.000 1.251 275 W CB -0.255 29.102 29.460 -0.172 0.000 1.136 275 W HN 0.186 nan 8.180 nan 0.000 0.526 276 A N 0.397 123.130 122.820 -0.145 0.000 1.898 276 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 276 A C 2.034 179.429 177.584 -0.314 0.000 1.181 276 A CA 1.931 53.731 52.037 -0.395 0.000 0.620 276 A CB -0.850 18.071 19.000 -0.131 0.000 0.819 276 A HN 0.411 nan 8.150 nan 0.000 0.442 277 M N -1.144 118.354 119.600 -0.171 0.000 2.086 277 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 277 M C 2.445 178.707 176.300 -0.064 0.000 1.067 277 M CA 1.700 56.978 55.300 -0.037 0.000 1.116 277 M CB -0.485 32.139 32.600 0.040 0.000 1.348 277 M HN 0.416 nan 8.290 nan 0.000 0.407 278 M N -0.539 118.980 119.600 -0.135 0.000 2.082 278 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 278 M C 2.287 178.512 176.300 -0.124 0.000 1.069 278 M CA 1.634 56.881 55.300 -0.088 0.000 1.102 278 M CB -0.577 31.962 32.600 -0.101 0.000 1.336 278 M HN 0.232 nan 8.290 nan 0.000 0.404 279 S N 0.639 116.111 115.700 -0.380 0.000 2.368 279 S HA -0.068 4.402 4.470 -0.000 0.000 0.225 279 S C 1.779 176.283 174.600 -0.160 0.000 1.030 279 S CA 1.106 59.076 58.200 -0.383 0.000 0.999 279 S CB -0.320 62.328 63.200 -0.920 0.000 0.844 279 S HN 0.384 nan 8.310 nan 0.000 0.459 280 I N 1.168 121.633 120.570 -0.174 0.000 2.353 280 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 280 I C 2.604 178.631 176.117 -0.151 0.000 1.119 280 I CA 0.977 62.191 61.300 -0.143 0.000 1.417 280 I CB -0.667 37.342 38.000 0.015 0.000 1.078 280 I HN 0.358 nan 8.210 nan 0.000 0.421 281 G N 0.638 109.430 108.800 -0.014 0.000 2.404 281 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 281 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 281 G C 1.592 176.588 174.900 0.160 0.000 1.174 281 G CA 0.424 45.567 45.100 0.071 0.000 0.780 281 G HN 0.316 nan 8.290 nan 0.000 0.537 282 F N 1.240 121.216 119.950 0.043 0.000 2.075 282 F HA -0.004 4.523 4.527 -0.000 0.000 0.297 282 F C 2.477 178.338 175.800 0.101 0.000 1.113 282 F CA 1.376 59.440 58.000 0.107 0.000 1.218 282 F CB -0.283 38.731 39.000 0.023 0.000 0.984 282 F HN 0.029 nan 8.300 nan 0.000 0.472 283 L N 0.109 121.401 121.223 0.116 0.000 2.127 283 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 283 L C 2.715 179.475 176.870 -0.183 0.000 1.089 283 L CA 1.127 55.947 54.840 -0.034 0.000 0.757 283 L CB -1.481 40.571 42.059 -0.012 0.000 0.899 283 L HN 0.388 nan 8.230 nan 0.000 0.434 284 G N -0.585 108.038 108.800 -0.294 0.000 2.499 284 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 284 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 284 G C 1.267 175.996 174.900 -0.284 0.000 1.109 284 G CA 0.497 45.401 45.100 -0.327 0.000 0.749 284 G HN 0.301 nan 8.290 nan 0.000 0.568 285 F N 0.201 120.046 119.950 -0.174 0.000 2.664 285 F HA 0.261 4.788 4.527 -0.000 0.000 0.296 285 F C 1.934 177.738 175.800 0.007 0.000 1.125 285 F CA 0.210 58.069 58.000 -0.235 0.000 1.444 285 F CB 0.289 39.107 39.000 -0.304 0.000 1.114 285 F HN 0.213 nan 8.300 nan 0.000 0.576 286 I N -1.977 118.697 120.570 0.174 0.000 3.762 286 I HA 0.252 4.422 4.170 -0.000 0.000 0.333 286 I C 0.423 176.694 176.117 0.257 0.000 1.566 286 I CA -0.051 61.457 61.300 0.347 0.000 1.129 286 I CB 0.200 38.312 38.000 0.186 0.000 1.218 286 I HN -0.096 nan 8.210 nan 0.000 0.456 287 V N -3.224 116.818 119.914 0.215 0.000 3.330 287 V HA 0.232 4.352 4.120 -0.000 0.000 0.309 287 V C 1.503 177.455 176.094 -0.238 0.000 1.481 287 V CA -0.251 62.083 62.300 0.057 0.000 1.068 287 V CB -0.861 30.837 31.823 -0.209 0.000 0.935 287 V HN 0.698 nan 8.190 nan 0.000 0.453 288 W N 1.593 122.833 121.300 -0.102 0.000 2.465 288 W HA 0.269 4.929 4.660 -0.000 0.000 0.268 288 W C 1.828 178.060 176.519 -0.480 0.000 1.242 288 W CA 1.212 58.398 57.345 -0.266 0.000 1.248 288 W CB -0.645 28.843 29.460 0.047 0.000 1.118 288 W HN 0.212 nan 8.180 nan 0.000 0.587 289 A N 1.953 123.797 122.820 -1.627 0.000 2.216 289 A HA -0.213 4.107 4.320 -0.000 0.000 0.214 289 A C 1.857 178.653 177.584 -1.313 0.000 1.160 289 A CA 1.325 52.413 52.037 -1.582 0.000 0.725 289 A CB -1.806 15.714 19.000 -2.466 0.000 0.784 289 A HN 0.801 nan 8.150 nan 0.000 0.472 290 H N -2.701 115.663 119.070 -1.177 0.000 2.560 290 H HA -0.065 4.491 4.556 -0.000 0.000 0.283 290 H C 0.883 175.412 175.328 -1.331 0.000 1.028 290 H CA 1.024 56.069 56.048 -1.672 0.000 1.221 290 H CB -0.404 28.841 29.762 -0.863 0.000 1.363 290 H HN 0.683 nan 8.280 nan 0.000 0.594 291 H N 0.394 119.046 119.070 -0.696 0.000 2.539 291 H HA 0.175 4.731 4.556 -0.000 0.000 0.267 291 H C 0.613 175.594 175.328 -0.577 0.000 0.982 291 H CA 0.393 56.000 56.048 -0.735 0.000 1.146 291 H CB 0.437 29.220 29.762 -1.631 0.000 1.382 291 H HN 0.517 nan 8.280 nan 0.000 0.577 292 M N -0.581 118.691 119.600 -0.548 0.000 2.687 292 M HA 0.102 4.582 4.480 -0.000 0.000 0.413 292 M C 0.164 176.317 176.300 -0.247 0.000 1.216 292 M CA -0.182 54.912 55.300 -0.343 0.000 0.871 292 M CB 0.539 32.968 32.600 -0.285 0.000 1.481 292 M HN -0.077 nan 8.290 nan 0.000 0.521 293 F N 1.066 120.844 119.950 -0.286 0.000 2.494 293 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 293 F C 2.444 178.135 175.800 -0.181 0.000 1.106 293 F CA 1.371 59.248 58.000 -0.206 0.000 1.452 293 F CB -0.717 38.177 39.000 -0.176 0.000 1.085 293 F HN 0.250 nan 8.300 nan 0.000 0.569 294 T N -3.632 110.872 114.554 -0.084 0.000 3.134 294 T HA 0.180 4.530 4.350 -0.000 0.000 0.260 294 T C 1.422 176.114 174.700 -0.012 0.000 1.027 294 T CA 0.608 62.685 62.100 -0.039 0.000 0.913 294 T CB -0.629 68.218 68.868 -0.034 0.000 1.046 294 T HN 0.098 nan 8.240 nan 0.000 0.553 295 V N -1.762 118.139 119.914 -0.022 0.000 3.541 295 V HA 0.594 4.714 4.120 -0.000 0.000 0.267 295 V C 1.427 177.536 176.094 0.025 0.000 1.213 295 V CA 0.426 62.725 62.300 -0.002 0.000 1.149 295 V CB -1.040 30.761 31.823 -0.037 0.000 0.822 295 V HN 0.784 nan 8.190 nan 0.000 0.462 296 G N 0.183 109.004 108.800 0.035 0.000 2.309 296 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.183 296 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.183 296 G C -0.370 174.567 174.900 0.062 0.000 1.063 296 G CA 0.103 45.231 45.100 0.047 0.000 0.768 296 G HN 0.471 nan 8.290 nan 0.000 0.490 297 M N 0.455 120.100 119.600 0.074 0.000 2.444 297 M HA 0.382 4.862 4.480 -0.000 0.000 0.319 297 M C 0.196 176.551 176.300 0.091 0.000 1.183 297 M CA -0.830 54.529 55.300 0.099 0.000 1.032 297 M CB 0.585 33.261 32.600 0.126 0.000 1.569 297 M HN 0.108 nan 8.290 nan 0.000 0.468 298 D N 0.947 121.404 120.400 0.095 0.000 2.515 298 D HA -0.077 4.563 4.640 -0.000 0.000 0.232 298 D C 0.842 177.191 176.300 0.081 0.000 1.157 298 D CA 0.110 54.158 54.000 0.079 0.000 0.871 298 D CB 0.753 41.602 40.800 0.082 0.000 1.200 298 D HN 0.360 nan 8.370 nan 0.000 0.466 299 V N 1.950 121.896 119.914 0.054 0.000 2.358 299 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 299 V C 1.253 177.380 176.094 0.055 0.000 1.047 299 V CA 1.836 64.158 62.300 0.037 0.000 1.035 299 V CB -0.169 31.663 31.823 0.015 0.000 0.658 299 V HN 0.425 nan 8.190 nan 0.000 0.452 300 D N -0.303 120.134 120.400 0.062 0.000 2.123 300 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 300 D C 2.227 178.609 176.300 0.136 0.000 0.992 300 D CA 2.029 56.075 54.000 0.077 0.000 0.833 300 D CB -0.602 40.234 40.800 0.059 0.000 0.954 300 D HN 0.461 nan 8.370 nan 0.000 0.455 301 T N 0.778 115.433 114.554 0.167 0.000 2.821 301 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 301 T C 1.963 176.908 174.700 0.408 0.000 1.046 301 T CA 0.781 63.054 62.100 0.289 0.000 1.139 301 T CB 0.011 69.047 68.868 0.280 0.000 0.871 301 T HN 0.165 nan 8.240 nan 0.000 0.454 302 R N 1.070 121.735 120.500 0.273 0.000 2.091 302 R HA -0.055 4.285 4.340 -0.000 0.000 0.238 302 R C 2.783 179.156 176.300 0.121 0.000 1.136 302 R CA 1.431 57.666 56.100 0.227 0.000 0.959 302 R CB -0.507 29.802 30.300 0.015 0.000 0.856 302 R HN 0.360 nan 8.270 nan 0.000 0.437 303 A N 0.574 123.434 122.820 0.067 0.000 1.933 303 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 303 A C 2.006 179.603 177.584 0.022 0.000 1.175 303 A CA 1.265 53.312 52.037 0.017 0.000 0.628 303 A CB -0.664 18.345 19.000 0.016 0.000 0.814 303 A HN 0.511 nan 8.150 nan 0.000 0.444 304 Y N -0.601 119.698 120.300 -0.001 0.000 2.133 304 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 304 Y C 1.854 177.680 175.900 -0.124 0.000 1.134 304 Y CA 1.828 59.862 58.100 -0.110 0.000 1.133 304 Y CB -0.611 37.719 38.460 -0.217 0.000 0.987 304 Y HN 0.228 nan 8.280 nan 0.000 0.502 305 F N 0.319 120.101 119.950 -0.279 0.000 2.234 305 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 305 F C 2.464 178.198 175.800 -0.110 0.000 1.087 305 F CA 1.848 59.655 58.000 -0.322 0.000 1.340 305 F CB -0.909 38.056 39.000 -0.059 0.000 1.031 305 F HN 0.014 nan 8.300 nan 0.000 0.500 306 T N -0.882 113.764 114.554 0.154 0.000 2.674 306 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 306 T C 2.254 176.920 174.700 -0.056 0.000 1.039 306 T CA 1.844 63.982 62.100 0.063 0.000 1.150 306 T CB -0.425 68.395 68.868 -0.080 0.000 0.864 306 T HN 0.187 nan 8.240 nan 0.000 0.427 307 S N 1.470 117.085 115.700 -0.143 0.000 2.356 307 S HA -0.026 4.444 4.470 -0.000 0.000 0.223 307 S C 2.581 177.068 174.600 -0.188 0.000 1.032 307 S CA 0.999 59.113 58.200 -0.143 0.000 1.005 307 S CB -0.611 62.510 63.200 -0.131 0.000 0.867 307 S HN 0.581 nan 8.310 nan 0.000 0.449 308 A N 1.361 123.939 122.820 -0.402 0.000 1.933 308 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 308 A C 2.320 179.811 177.584 -0.154 0.000 1.175 308 A CA 1.976 53.811 52.037 -0.337 0.000 0.628 308 A CB -1.305 17.293 19.000 -0.669 0.000 0.814 308 A HN 0.471 nan 8.150 nan 0.000 0.444 309 T N 0.025 114.515 114.554 -0.106 0.000 2.746 309 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 309 T C 1.888 176.592 174.700 0.006 0.000 1.039 309 T CA 1.745 63.854 62.100 0.015 0.000 1.142 309 T CB -0.295 68.654 68.868 0.135 0.000 0.866 309 T HN 0.445 nan 8.240 nan 0.000 0.444 310 M N 0.259 119.851 119.600 -0.013 0.000 2.296 310 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 310 M C 2.017 178.325 176.300 0.013 0.000 1.064 310 M CA 1.160 56.459 55.300 -0.001 0.000 1.109 310 M CB -0.516 32.078 32.600 -0.012 0.000 1.396 310 M HN 0.226 nan 8.290 nan 0.000 0.430 311 I N 0.249 120.822 120.570 0.004 0.000 2.423 311 I HA -0.306 3.864 4.170 -0.000 0.000 0.254 311 I C 2.089 178.227 176.117 0.035 0.000 1.151 311 I CA 1.251 62.566 61.300 0.026 0.000 1.421 311 I CB -0.416 37.599 38.000 0.023 0.000 1.079 311 I HN 0.294 nan 8.210 nan 0.000 0.431 312 I N 0.750 121.335 120.570 0.026 0.000 2.614 312 I HA -0.240 3.930 4.170 -0.000 0.000 0.258 312 I C 2.683 178.845 176.117 0.075 0.000 1.189 312 I CA 0.862 62.181 61.300 0.031 0.000 1.462 312 I CB -0.311 37.713 38.000 0.041 0.000 1.092 312 I HN 0.197 nan 8.210 nan 0.000 0.442 313 A N 1.014 123.880 122.820 0.077 0.000 2.019 313 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 313 A C 2.209 179.845 177.584 0.087 0.000 1.164 313 A CA 1.225 53.312 52.037 0.082 0.000 0.644 313 A CB -0.568 18.469 19.000 0.060 0.000 0.805 313 A HN 0.370 nan 8.150 nan 0.000 0.449 314 I N 0.422 121.049 120.570 0.096 0.000 2.113 314 I HA -0.165 4.005 4.170 -0.000 0.000 0.238 314 I C -0.331 175.888 176.117 0.169 0.000 1.070 314 I CA 1.596 62.984 61.300 0.145 0.000 1.332 314 I CB -1.151 36.955 38.000 0.176 0.000 1.044 314 I HN 0.227 nan 8.210 nan 0.000 0.402 315 P HA -0.114 nan 4.420 nan 0.000 0.217 315 P C 1.602 178.892 177.300 -0.016 0.000 1.150 315 P CA 1.654 64.739 63.100 -0.025 0.000 0.832 315 P CB -0.288 31.165 31.700 -0.413 0.000 0.787 316 T N -0.202 114.358 114.554 0.010 0.000 2.708 316 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 316 T C 2.156 176.792 174.700 -0.107 0.000 1.037 316 T CA 1.916 64.024 62.100 0.013 0.000 1.146 316 T CB -1.287 67.712 68.868 0.219 0.000 0.865 316 T HN 0.192 nan 8.240 nan 0.000 0.435 317 G N 1.308 110.073 108.800 -0.057 0.000 2.446 317 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 317 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 317 G C 1.719 176.502 174.900 -0.195 0.000 1.168 317 G CA 1.009 45.988 45.100 -0.201 0.000 0.771 317 G HN 0.425 nan 8.290 nan 0.000 0.551 318 V N 1.056 121.001 119.914 0.052 0.000 2.278 318 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 318 V C 2.847 178.852 176.094 -0.148 0.000 1.062 318 V CA 2.583 64.939 62.300 0.094 0.000 1.038 318 V CB -0.496 31.454 31.823 0.213 0.000 0.646 318 V HN 0.438 nan 8.190 nan 0.000 0.447 319 K N -0.537 119.635 120.400 -0.381 0.000 2.057 319 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 319 K C 2.073 178.027 176.600 -1.076 0.000 1.050 319 K CA 1.359 57.113 56.287 -0.889 0.000 0.935 319 K CB -0.450 31.276 32.500 -1.289 0.000 0.715 319 K HN 0.351 nan 8.250 nan 0.000 0.439 320 V N 1.133 120.635 119.914 -0.687 0.000 2.295 320 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 320 V C 2.007 177.998 176.094 -0.172 0.000 1.049 320 V CA 1.804 63.933 62.300 -0.286 0.000 1.024 320 V CB -0.545 31.111 31.823 -0.277 0.000 0.648 320 V HN 0.214 nan 8.190 nan 0.000 0.447 321 F N 0.049 119.973 119.950 -0.044 0.000 2.234 321 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 321 F C 2.641 178.380 175.800 -0.101 0.000 1.087 321 F CA 1.177 59.153 58.000 -0.040 0.000 1.340 321 F CB -0.402 38.569 39.000 -0.048 0.000 1.031 321 F HN 0.049 nan 8.300 nan 0.000 0.500 322 S N -0.791 114.919 115.700 0.017 0.000 2.402 322 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 322 S C 1.686 176.338 174.600 0.087 0.000 1.021 322 S CA 0.748 58.971 58.200 0.038 0.000 0.974 322 S CB -0.344 62.895 63.200 0.065 0.000 0.800 322 S HN 0.392 nan 8.310 nan 0.000 0.484 323 W N 1.927 123.277 121.300 0.083 0.000 2.358 323 W HA 0.080 4.740 4.660 -0.000 0.000 0.303 323 W C 1.924 178.480 176.519 0.061 0.000 1.208 323 W CA 0.207 57.599 57.345 0.078 0.000 1.274 323 W CB -1.231 28.276 29.460 0.078 0.000 1.138 323 W HN 0.303 nan 8.180 nan 0.000 0.515 324 L N 0.092 121.497 121.223 0.303 0.000 2.042 324 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 324 L C 2.530 179.437 176.870 0.062 0.000 1.076 324 L CA 1.656 56.604 54.840 0.180 0.000 0.749 324 L CB -1.296 40.881 42.059 0.197 0.000 0.893 324 L HN -0.129 nan 8.230 nan 0.000 0.432 325 A N -1.018 121.750 122.820 -0.086 0.000 2.119 325 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 325 A C 2.251 179.788 177.584 -0.079 0.000 1.153 325 A CA 1.610 53.442 52.037 -0.342 0.000 0.692 325 A CB -0.545 17.697 19.000 -1.263 0.000 0.799 325 A HN 0.372 nan 8.150 nan 0.000 0.458 326 T N 0.233 114.853 114.554 0.109 0.000 2.896 326 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 326 T C 1.698 176.478 174.700 0.133 0.000 1.050 326 T CA 1.060 63.282 62.100 0.203 0.000 1.140 326 T CB -0.244 68.782 68.868 0.264 0.000 0.877 326 T HN 0.389 nan 8.240 nan 0.000 0.457 327 L N 0.129 121.421 121.223 0.115 0.000 2.156 327 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 327 L C 1.274 178.190 176.870 0.076 0.000 1.095 327 L CA 0.347 55.223 54.840 0.061 0.000 0.770 327 L CB -0.646 41.443 42.059 0.049 0.000 0.914 327 L HN 0.312 nan 8.230 nan 0.000 0.439 328 H N 0.668 119.734 119.070 -0.006 0.000 3.125 328 H HA 0.184 4.740 4.556 -0.000 0.000 0.310 328 H C 1.169 176.499 175.328 0.003 0.000 0.980 328 H CA 0.444 56.484 56.048 -0.014 0.000 1.422 328 H CB 0.417 30.147 29.762 -0.053 0.000 1.432 328 H HN 0.282 nan 8.280 nan 0.000 0.577 329 G N 2.898 111.451 108.800 -0.412 0.000 2.162 329 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 329 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 329 G C 0.662 175.482 174.900 -0.132 0.000 0.976 329 G CA 0.387 45.295 45.100 -0.320 0.000 0.655 329 G HN 1.031 nan 8.290 nan 0.000 0.533 330 G N -0.513 108.238 108.800 -0.082 0.000 2.476 330 G HA2 0.439 4.399 3.960 -0.000 0.000 0.269 330 G HA3 0.439 4.399 3.960 -0.000 0.000 0.269 330 G C 0.040 174.906 174.900 -0.056 0.000 1.195 330 G CA 0.065 45.129 45.100 -0.060 0.000 0.843 330 G HN 0.450 nan 8.290 nan 0.000 0.545 331 N N 1.351 120.019 118.700 -0.054 0.000 2.508 331 N HA 0.033 4.773 4.740 -0.000 0.000 0.253 331 N C 0.251 175.732 175.510 -0.048 0.000 1.145 331 N CA -0.535 52.493 53.050 -0.036 0.000 0.973 331 N CB -0.058 38.406 38.487 -0.038 0.000 1.305 331 N HN 0.135 nan 8.380 nan 0.000 0.506 332 I N 1.849 122.384 120.570 -0.059 0.000 2.452 332 I HA 0.048 4.218 4.170 -0.000 0.000 0.287 332 I C 0.813 176.845 176.117 -0.142 0.000 1.079 332 I CA -0.321 60.867 61.300 -0.186 0.000 1.387 332 I CB 0.101 37.861 38.000 -0.401 0.000 1.404 332 I HN 0.361 nan 8.210 nan 0.000 0.522 333 K N 6.484 126.829 120.400 -0.091 0.000 2.262 333 K HA 0.170 4.490 4.320 -0.000 0.000 0.282 333 K C -0.740 175.812 176.600 -0.080 0.000 1.066 333 K CA -0.150 56.160 56.287 0.039 0.000 0.901 333 K CB 0.297 32.907 32.500 0.183 0.000 1.089 333 K HN 0.370 nan 8.250 nan 0.000 0.476 334 W N 4.696 125.971 121.300 -0.042 0.000 1.992 334 W HA 0.122 4.782 4.660 -0.000 0.000 0.449 334 W C 0.257 176.670 176.519 -0.176 0.000 0.617 334 W CA -0.444 56.831 57.345 -0.116 0.000 2.341 334 W CB -0.501 28.901 29.460 -0.097 0.000 1.156 334 W HN 0.559 nan 8.180 nan 0.000 0.538 335 S N 0.082 115.693 115.700 -0.149 0.000 2.600 335 S HA 0.234 4.704 4.470 -0.000 0.000 0.265 335 S C -1.238 173.189 174.600 -0.287 0.000 1.325 335 S CA -1.056 56.996 58.200 -0.246 0.000 1.002 335 S CB 1.344 64.239 63.200 -0.510 0.000 0.921 335 S HN -0.017 nan 8.310 nan 0.000 0.554 336 P HA -0.062 nan 4.420 nan 0.000 0.215 336 P C 1.654 178.873 177.300 -0.136 0.000 1.157 336 P CA 1.969 64.985 63.100 -0.140 0.000 0.868 336 P CB -0.472 31.273 31.700 0.075 0.000 0.788 337 A N -0.415 122.328 122.820 -0.128 0.000 1.917 337 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 337 A C 2.303 179.740 177.584 -0.244 0.000 1.182 337 A CA 2.692 54.678 52.037 -0.085 0.000 0.633 337 A CB -1.560 17.329 19.000 -0.184 0.000 0.819 337 A HN 0.143 nan 8.150 nan 0.000 0.448 338 M N -0.607 118.650 119.600 -0.571 0.000 2.159 338 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 338 M C 2.062 178.151 176.300 -0.352 0.000 1.063 338 M CA 1.849 56.882 55.300 -0.445 0.000 1.110 338 M CB -0.594 31.680 32.600 -0.544 0.000 1.374 338 M HN 0.452 nan 8.290 nan 0.000 0.411 339 M N -1.841 117.457 119.600 -0.502 0.000 2.086 339 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 339 M C 1.986 177.787 176.300 -0.832 0.000 1.067 339 M CA 2.037 56.827 55.300 -0.850 0.000 1.116 339 M CB -0.768 30.973 32.600 -1.432 0.000 1.348 339 M HN 0.380 nan 8.290 nan 0.000 0.407 340 W N 0.329 121.319 121.300 -0.518 0.000 2.321 340 W HA -0.242 4.418 4.660 -0.000 0.000 0.306 340 W C 2.716 179.359 176.519 0.206 0.000 1.217 340 W CA 1.300 58.623 57.345 -0.038 0.000 1.257 340 W CB -0.478 28.968 29.460 -0.023 0.000 1.145 340 W HN 0.254 nan 8.180 nan 0.000 0.509 341 A N -0.438 122.513 122.820 0.219 0.000 1.930 341 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 341 A C 1.910 179.614 177.584 0.200 0.000 1.176 341 A CA 1.109 53.222 52.037 0.127 0.000 0.632 341 A CB -0.854 18.103 19.000 -0.073 0.000 0.819 341 A HN 0.282 nan 8.150 nan 0.000 0.445 342 L N -0.793 120.505 121.223 0.124 0.000 2.109 342 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 342 L C 2.760 179.852 176.870 0.370 0.000 1.086 342 L CA 0.953 55.894 54.840 0.168 0.000 0.760 342 L CB -0.646 41.434 42.059 0.034 0.000 0.910 342 L HN 0.484 nan 8.230 nan 0.000 0.437 343 G N -0.351 108.765 108.800 0.527 0.000 2.408 343 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 343 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 343 G C 1.479 176.773 174.900 0.657 0.000 1.150 343 G CA 0.329 45.929 45.100 0.834 0.000 0.776 343 G HN 0.271 nan 8.290 nan 0.000 0.542 344 F N 1.572 121.839 119.950 0.528 0.000 2.065 344 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 344 F C 2.466 178.418 175.800 0.253 0.000 1.112 344 F CA 1.576 59.759 58.000 0.306 0.000 1.212 344 F CB -0.227 38.904 39.000 0.218 0.000 0.975 344 F HN 0.111 nan 8.300 nan 0.000 0.476 345 I N -0.813 120.055 120.570 0.497 0.000 2.163 345 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 345 I C 2.358 178.673 176.117 0.329 0.000 1.085 345 I CA 1.685 63.242 61.300 0.429 0.000 1.347 345 I CB -0.673 37.568 38.000 0.402 0.000 1.044 345 I HN 0.242 nan 8.210 nan 0.000 0.408 346 F N 1.566 121.641 119.950 0.208 0.000 2.084 346 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 346 F C 2.161 178.025 175.800 0.108 0.000 1.111 346 F CA 1.657 59.759 58.000 0.169 0.000 1.224 346 F CB -0.392 38.735 39.000 0.212 0.000 0.991 346 F HN -0.135 nan 8.300 nan 0.000 0.471 347 L N -1.183 119.924 121.223 -0.193 0.000 2.109 347 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 347 L C 2.454 179.160 176.870 -0.273 0.000 1.086 347 L CA 1.213 55.861 54.840 -0.321 0.000 0.760 347 L CB -0.993 40.893 42.059 -0.290 0.000 0.910 347 L HN 0.214 nan 8.230 nan 0.000 0.437 348 F N 1.027 120.707 119.950 -0.450 0.000 2.161 348 F HA -0.261 4.266 4.527 -0.000 0.000 0.300 348 F C 2.389 178.056 175.800 -0.221 0.000 1.089 348 F CA 1.965 59.696 58.000 -0.448 0.000 1.282 348 F CB -0.255 38.242 39.000 -0.839 0.000 1.010 348 F HN -0.082 nan 8.300 nan 0.000 0.485 349 T N 0.051 114.447 114.554 -0.264 0.000 2.777 349 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 349 T C 2.121 176.612 174.700 -0.348 0.000 1.040 349 T CA 1.471 63.417 62.100 -0.257 0.000 1.141 349 T CB -0.484 68.350 68.868 -0.057 0.000 0.868 349 T HN 0.132 nan 8.240 nan 0.000 0.444 350 V N 1.331 120.984 119.914 -0.434 0.000 2.261 350 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 350 V C 2.858 178.728 176.094 -0.374 0.000 1.047 350 V CA 2.077 64.110 62.300 -0.445 0.000 1.015 350 V CB -1.315 30.140 31.823 -0.613 0.000 0.642 350 V HN 0.583 nan 8.190 nan 0.000 0.446 351 G N -0.128 108.467 108.800 -0.341 0.000 2.440 351 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 351 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 351 G C 1.619 176.430 174.900 -0.148 0.000 1.154 351 G CA 0.977 45.938 45.100 -0.231 0.000 0.767 351 G HN 0.600 nan 8.290 nan 0.000 0.552 352 G N 0.632 109.189 108.800 -0.405 0.000 2.422 352 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 352 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 352 G C 1.785 176.604 174.900 -0.136 0.000 1.140 352 G CA 0.585 45.505 45.100 -0.301 0.000 0.775 352 G HN 0.427 nan 8.290 nan 0.000 0.545 353 L N 1.143 122.268 121.223 -0.164 0.000 2.141 353 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 353 L C 3.232 180.053 176.870 -0.082 0.000 1.094 353 L CA 1.608 56.384 54.840 -0.106 0.000 0.763 353 L CB -0.521 41.472 42.059 -0.109 0.000 0.908 353 L HN 0.393 nan 8.230 nan 0.000 0.437 354 T N -3.988 110.519 114.554 -0.079 0.000 3.023 354 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 354 T C 1.902 176.497 174.700 -0.176 0.000 1.093 354 T CA 0.688 62.769 62.100 -0.033 0.000 1.129 354 T CB -0.447 68.353 68.868 -0.113 0.000 0.899 354 T HN 0.354 nan 8.240 nan 0.000 0.491 355 G N 2.049 110.655 108.800 -0.324 0.000 2.418 355 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 355 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 355 G C 1.429 176.173 174.900 -0.261 0.000 1.158 355 G CA 0.545 45.300 45.100 -0.575 0.000 0.771 355 G HN 0.438 nan 8.290 nan 0.000 0.545 356 I N 1.043 121.535 120.570 -0.130 0.000 2.361 356 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 356 I C 2.891 178.962 176.117 -0.076 0.000 1.133 356 I CA 0.578 61.831 61.300 -0.080 0.000 1.413 356 I CB -0.849 37.126 38.000 -0.042 0.000 1.073 356 I HN 0.031 nan 8.210 nan 0.000 0.424 357 V N 0.792 120.669 119.914 -0.063 0.000 2.307 357 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 357 V C 2.543 178.583 176.094 -0.091 0.000 1.045 357 V CA 1.364 63.630 62.300 -0.057 0.000 1.024 357 V CB -0.493 31.335 31.823 0.008 0.000 0.651 357 V HN 0.304 nan 8.190 nan 0.000 0.449 358 L N 0.185 121.351 121.223 -0.096 0.000 2.131 358 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 358 L C 2.670 179.503 176.870 -0.062 0.000 1.092 358 L CA 1.291 56.068 54.840 -0.105 0.000 0.759 358 L CB -0.732 41.227 42.059 -0.167 0.000 0.903 358 L HN 0.365 nan 8.230 nan 0.000 0.435 359 A N -0.381 122.387 122.820 -0.087 0.000 2.024 359 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 359 A C 1.014 178.629 177.584 0.052 0.000 1.164 359 A CA 0.979 53.025 52.037 0.015 0.000 0.643 359 A CB -0.624 18.358 19.000 -0.030 0.000 0.806 359 A HN 0.440 nan 8.150 nan 0.000 0.451 360 N N 1.261 119.920 118.700 -0.070 0.000 2.406 360 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 360 N C 1.206 176.534 175.510 -0.304 0.000 1.203 360 N CA 0.713 53.663 53.050 -0.167 0.000 0.945 360 N CB 1.060 39.466 38.487 -0.135 0.000 1.165 360 N HN 0.547 nan 8.380 nan 0.000 0.485 361 S N 1.321 116.635 115.700 -0.644 0.000 2.400 361 S HA -0.164 4.306 4.470 -0.000 0.000 0.232 361 S C 1.938 176.250 174.600 -0.479 0.000 1.025 361 S CA 0.868 58.444 58.200 -1.039 0.000 0.993 361 S CB -0.081 62.148 63.200 -1.619 0.000 0.808 361 S HN 0.420 nan 8.310 nan 0.000 0.478 362 S N 2.043 117.553 115.700 -0.317 0.000 2.369 362 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 362 S C 1.785 176.295 174.600 -0.151 0.000 1.043 362 S CA 1.715 59.800 58.200 -0.191 0.000 1.074 362 S CB -0.669 62.441 63.200 -0.149 0.000 0.962 362 S HN 0.485 nan 8.310 nan 0.000 0.433 363 L N 0.792 121.924 121.223 -0.152 0.000 2.093 363 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 363 L C 2.256 179.055 176.870 -0.118 0.000 1.085 363 L CA 1.310 56.068 54.840 -0.137 0.000 0.755 363 L CB -0.480 41.484 42.059 -0.158 0.000 0.904 363 L HN 0.304 nan 8.230 nan 0.000 0.435 364 D N 0.081 120.422 120.400 -0.098 0.000 2.221 364 D HA -0.218 4.422 4.640 -0.000 0.000 0.204 364 D C 2.132 178.458 176.300 0.044 0.000 0.982 364 D CA 0.884 54.889 54.000 0.009 0.000 0.857 364 D CB 0.166 41.066 40.800 0.166 0.000 0.934 364 D HN 0.097 nan 8.370 nan 0.000 0.475 365 I N 0.260 120.821 120.570 -0.014 0.000 2.145 365 I HA -0.252 3.918 4.170 -0.000 0.000 0.244 365 I C 2.341 178.481 176.117 0.039 0.000 1.075 365 I CA 0.958 62.268 61.300 0.017 0.000 1.332 365 I CB -1.275 36.713 38.000 -0.020 0.000 1.033 365 I HN 0.071 nan 8.210 nan 0.000 0.410 366 V N 0.265 120.175 119.914 -0.006 0.000 2.788 366 V HA -0.094 4.026 4.120 -0.000 0.000 0.251 366 V C 2.278 178.361 176.094 -0.018 0.000 1.068 366 V CA 0.940 63.233 62.300 -0.013 0.000 1.090 366 V CB -0.232 31.566 31.823 -0.041 0.000 0.710 366 V HN 0.322 nan 8.190 nan 0.000 0.467 367 L N -1.380 119.824 121.223 -0.032 0.000 2.463 367 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 367 L C 1.236 178.124 176.870 0.031 0.000 1.088 367 L CA -0.078 54.732 54.840 -0.050 0.000 0.849 367 L CB -0.317 41.634 42.059 -0.180 0.000 1.012 367 L HN 0.361 nan 8.230 nan 0.000 0.468 368 H N 1.132 120.203 119.070 0.002 0.000 2.948 368 H HA -0.105 4.451 4.556 -0.000 0.000 0.351 368 H C 0.500 175.845 175.328 0.028 0.000 1.079 368 H CA 0.578 56.644 56.048 0.029 0.000 1.407 368 H CB 0.216 30.007 29.762 0.048 0.000 1.373 368 H HN 0.114 nan 8.280 nan 0.000 0.605 369 D N 1.699 121.629 120.400 -0.784 0.000 2.882 369 D HA -0.221 4.419 4.640 -0.000 0.000 0.229 369 D C -0.240 175.920 176.300 -0.234 0.000 1.167 369 D CA 1.480 55.188 54.000 -0.487 0.000 0.759 369 D CB -0.805 39.739 40.800 -0.427 0.000 1.088 369 D HN 0.754 nan 8.370 nan 0.000 0.425 370 T N -4.259 110.202 114.554 -0.156 0.000 2.883 370 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 370 T C 0.968 175.610 174.700 -0.097 0.000 1.041 370 T CA -0.726 61.315 62.100 -0.098 0.000 1.007 370 T CB 0.948 69.805 68.868 -0.019 0.000 1.220 370 T HN -0.063 nan 8.240 nan 0.000 0.552 371 Y N -0.612 119.634 120.300 -0.091 0.000 2.616 371 Y HA 0.072 4.622 4.550 -0.000 0.000 0.296 371 Y C 1.936 177.774 175.900 -0.104 0.000 1.154 371 Y CA 0.597 58.633 58.100 -0.107 0.000 1.325 371 Y CB -0.435 37.935 38.460 -0.149 0.000 1.007 371 Y HN 0.820 nan 8.280 nan 0.000 0.542 372 Y N -1.028 119.234 120.300 -0.062 0.000 2.242 372 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 372 Y C 2.153 177.993 175.900 -0.099 0.000 1.137 372 Y CA 1.442 59.490 58.100 -0.087 0.000 1.181 372 Y CB -0.223 38.210 38.460 -0.045 0.000 0.989 372 Y HN -0.097 nan 8.280 nan 0.000 0.527 373 V N -1.226 118.745 119.914 0.095 0.000 2.358 373 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 373 V C 2.215 178.223 176.094 -0.143 0.000 1.047 373 V CA 1.642 64.003 62.300 0.102 0.000 1.035 373 V CB -0.709 31.204 31.823 0.151 0.000 0.658 373 V HN 0.294 nan 8.190 nan 0.000 0.452 374 V N 0.550 120.231 119.914 -0.388 0.000 2.407 374 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 374 V C 2.694 178.373 176.094 -0.692 0.000 1.055 374 V CA 1.943 63.726 62.300 -0.861 0.000 1.049 374 V CB -1.245 30.213 31.823 -0.608 0.000 0.662 374 V HN 0.545 nan 8.190 nan 0.000 0.455 375 A N 0.014 122.561 122.820 -0.455 0.000 1.873 375 A HA -0.277 4.043 4.320 -0.000 0.000 0.215 375 A C 2.145 179.476 177.584 -0.422 0.000 1.186 375 A CA 2.188 53.914 52.037 -0.517 0.000 0.616 375 A CB -0.861 17.493 19.000 -1.078 0.000 0.823 375 A HN 0.748 nan 8.150 nan 0.000 0.442 376 H N 0.255 119.035 119.070 -0.483 0.000 2.289 376 H HA -0.229 4.327 4.556 -0.000 0.000 0.296 376 H C 1.640 176.862 175.328 -0.177 0.000 1.091 376 H CA 2.570 58.446 56.048 -0.287 0.000 1.274 376 H CB -0.711 28.947 29.762 -0.174 0.000 1.364 376 H HN 0.610 nan 8.280 nan 0.000 0.490 377 F N -2.018 117.654 119.950 -0.464 0.000 2.615 377 F HA 0.138 4.665 4.527 -0.000 0.000 0.297 377 F C 1.914 177.349 175.800 -0.609 0.000 1.124 377 F CA 0.498 58.113 58.000 -0.643 0.000 1.451 377 F CB -0.606 38.150 39.000 -0.407 0.000 1.103 377 F HN 0.148 nan 8.300 nan 0.000 0.569 378 H N -1.166 117.479 119.070 -0.709 0.000 2.462 378 H HA -0.030 4.526 4.556 -0.000 0.000 0.292 378 H C 1.491 176.367 175.328 -0.754 0.000 1.049 378 H CA 1.962 57.481 56.048 -0.883 0.000 1.334 378 H CB -0.306 28.353 29.762 -1.838 0.000 1.404 378 H HN 0.258 nan 8.280 nan 0.000 0.544 379 Y N 0.096 120.096 120.300 -0.500 0.000 2.089 379 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 379 Y C 2.674 178.357 175.900 -0.363 0.000 1.139 379 Y CA 1.663 59.530 58.100 -0.387 0.000 1.123 379 Y CB -0.650 37.613 38.460 -0.329 0.000 0.980 379 Y HN 0.146 nan 8.280 nan 0.000 0.493 380 V N -2.083 117.681 119.914 -0.251 0.000 2.626 380 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 380 V C 1.790 177.818 176.094 -0.111 0.000 1.067 380 V CA 1.608 63.805 62.300 -0.172 0.000 1.081 380 V CB -0.804 30.887 31.823 -0.218 0.000 0.686 380 V HN 0.403 nan 8.190 nan 0.000 0.468 381 L N -0.155 120.950 121.223 -0.197 0.000 2.262 381 L HA 0.135 4.475 4.340 -0.000 0.000 0.197 381 L C 2.701 179.508 176.870 -0.106 0.000 1.073 381 L CA 1.369 56.111 54.840 -0.163 0.000 0.800 381 L CB -0.299 41.612 42.059 -0.246 0.000 0.987 381 L HN 0.330 nan 8.230 nan 0.000 0.470 382 S N -0.997 114.602 115.700 -0.170 0.000 2.528 382 S HA 0.089 4.559 4.470 -0.000 0.000 0.219 382 S C 1.676 176.263 174.600 -0.021 0.000 0.985 382 S CA 0.565 58.735 58.200 -0.050 0.000 0.914 382 S CB 0.156 63.302 63.200 -0.089 0.000 0.776 382 S HN 0.239 nan 8.310 nan 0.000 0.526 383 M N -0.799 118.672 119.600 -0.215 0.000 2.838 383 M HA 0.298 4.778 4.480 -0.000 0.000 0.251 383 M C 2.240 178.411 176.300 -0.214 0.000 1.393 383 M CA 0.674 55.717 55.300 -0.429 0.000 1.196 383 M CB -0.427 31.711 32.600 -0.770 0.000 1.276 383 M HN 0.304 nan 8.290 nan 0.000 0.541 384 G N 0.696 109.433 108.800 -0.106 0.000 2.496 384 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 384 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 384 G C 1.600 176.744 174.900 0.405 0.000 1.234 384 G CA 0.991 46.125 45.100 0.056 0.000 0.807 384 G HN 0.431 nan 8.290 nan 0.000 0.543 385 A N -0.087 122.862 122.820 0.215 0.000 1.873 385 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 385 A C 2.620 180.321 177.584 0.196 0.000 1.193 385 A CA 2.282 54.419 52.037 0.166 0.000 0.629 385 A CB -0.975 18.037 19.000 0.020 0.000 0.826 385 A HN 0.324 nan 8.150 nan 0.000 0.447 386 V N -1.373 118.670 119.914 0.214 0.000 2.407 386 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 386 V C 2.321 178.591 176.094 0.292 0.000 1.055 386 V CA 2.030 64.463 62.300 0.221 0.000 1.049 386 V CB -0.820 31.157 31.823 0.257 0.000 0.662 386 V HN 0.626 nan 8.190 nan 0.000 0.455 387 F N 0.067 120.149 119.950 0.221 0.000 2.146 387 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 387 F C 2.460 178.388 175.800 0.214 0.000 1.096 387 F CA 0.909 59.132 58.000 0.372 0.000 1.275 387 F CB -0.393 39.012 39.000 0.676 0.000 1.008 387 F HN 0.141 nan 8.300 nan 0.000 0.480 388 A N 0.610 123.652 122.820 0.369 0.000 1.902 388 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 388 A C 2.122 179.666 177.584 -0.066 0.000 1.181 388 A CA 1.465 53.515 52.037 0.021 0.000 0.623 388 A CB -1.039 17.880 19.000 -0.134 0.000 0.818 388 A HN 0.386 nan 8.150 nan 0.000 0.443 389 I N -0.748 119.815 120.570 -0.012 0.000 2.163 389 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 389 I C 2.671 178.770 176.117 -0.031 0.000 1.085 389 I CA 1.405 62.705 61.300 -0.001 0.000 1.347 389 I CB -0.272 37.786 38.000 0.097 0.000 1.044 389 I HN 0.286 nan 8.210 nan 0.000 0.408 390 M N 0.108 119.540 119.600 -0.280 0.000 2.132 390 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 390 M C 2.433 178.412 176.300 -0.536 0.000 1.065 390 M CA 1.835 56.748 55.300 -0.644 0.000 1.122 390 M CB -1.940 29.547 32.600 -1.856 0.000 1.365 390 M HN 0.315 nan 8.290 nan 0.000 0.411 391 G N -0.341 108.233 108.800 -0.377 0.000 2.442 391 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 391 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 391 G C 1.576 176.473 174.900 -0.005 0.000 1.141 391 G CA 1.116 46.192 45.100 -0.041 0.000 0.763 391 G HN 0.561 nan 8.290 nan 0.000 0.554 392 G N -0.003 108.776 108.800 -0.034 0.000 2.408 392 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.215 392 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.215 392 G C 1.561 176.718 174.900 0.428 0.000 1.156 392 G CA 0.640 45.773 45.100 0.056 0.000 0.793 392 G HN 0.325 nan 8.290 nan 0.000 0.535 393 F N 1.751 121.926 119.950 0.376 0.000 2.095 393 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 393 F C 2.678 178.619 175.800 0.234 0.000 1.104 393 F CA 1.989 60.265 58.000 0.459 0.000 1.232 393 F CB -0.285 38.891 39.000 0.293 0.000 0.987 393 F HN 0.060 nan 8.300 nan 0.000 0.475 394 V N -0.975 119.051 119.914 0.186 0.000 2.453 394 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 394 V C 2.406 178.528 176.094 0.047 0.000 1.048 394 V CA 2.393 64.740 62.300 0.078 0.000 1.049 394 V CB -1.058 30.885 31.823 0.200 0.000 0.672 394 V HN 0.516 nan 8.190 nan 0.000 0.457 395 H N -0.858 118.172 119.070 -0.067 0.000 2.321 395 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 395 H C 1.745 176.956 175.328 -0.195 0.000 1.087 395 H CA 2.618 58.550 56.048 -0.194 0.000 1.319 395 H CB -0.197 29.270 29.762 -0.491 0.000 1.379 395 H HN 0.606 nan 8.280 nan 0.000 0.501 396 W N -0.821 120.259 121.300 -0.366 0.000 3.127 396 W HA 0.080 4.740 4.660 -0.000 0.000 0.344 396 W C 1.532 177.293 176.519 -1.263 0.000 1.151 396 W CA -0.419 56.361 57.345 -0.941 0.000 1.765 396 W CB -0.798 27.972 29.460 -1.150 0.000 1.085 396 W HN 0.168 nan 8.180 nan 0.000 0.596 397 F N 3.158 122.638 119.950 -0.783 0.000 2.085 397 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 397 F C -0.753 174.736 175.800 -0.519 0.000 1.096 397 F CA 2.230 59.764 58.000 -0.777 0.000 1.227 397 F CB -1.452 37.022 39.000 -0.877 0.000 0.983 397 F HN -0.260 nan 8.300 nan 0.000 0.482 398 P HA -0.150 nan 4.420 nan 0.000 0.220 398 P C 1.787 178.883 177.300 -0.340 0.000 1.148 398 P CA 1.132 64.063 63.100 -0.281 0.000 0.803 398 P CB -0.138 31.598 31.700 0.060 0.000 0.782 399 L N -1.431 119.460 121.223 -0.553 0.000 2.027 399 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 399 L C 1.927 178.437 176.870 -0.600 0.000 1.074 399 L CA 2.022 56.416 54.840 -0.742 0.000 0.745 399 L CB -1.381 39.830 42.059 -1.414 0.000 0.898 399 L HN -0.169 nan 8.230 nan 0.000 0.433 400 F N -0.472 118.939 119.950 -0.900 0.000 2.259 400 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 400 F C 2.758 178.192 175.800 -0.609 0.000 1.088 400 F CA 0.942 58.256 58.000 -1.143 0.000 1.358 400 F CB -1.513 36.705 39.000 -1.303 0.000 1.040 400 F HN 0.388 nan 8.300 nan 0.000 0.505 401 S N -1.517 113.855 115.700 -0.546 0.000 2.499 401 S HA 0.414 4.884 4.470 -0.000 0.000 0.225 401 S C 1.857 176.109 174.600 -0.579 0.000 1.050 401 S CA 0.531 58.425 58.200 -0.511 0.000 0.928 401 S CB 0.278 62.893 63.200 -0.976 0.000 0.803 401 S HN 0.502 nan 8.310 nan 0.000 0.506 402 G N 0.071 108.543 108.800 -0.546 0.000 2.176 402 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 402 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 402 G C -0.273 174.333 174.900 -0.489 0.000 0.979 402 G CA 0.431 45.239 45.100 -0.486 0.000 0.641 402 G HN 0.536 nan 8.290 nan 0.000 0.530 403 Y N 1.037 121.198 120.300 -0.233 0.000 2.468 403 Y HA 0.669 5.219 4.550 -0.000 0.000 0.342 403 Y C 1.006 176.887 175.900 -0.032 0.000 1.021 403 Y CA -0.671 57.355 58.100 -0.123 0.000 1.079 403 Y CB 1.615 39.990 38.460 -0.141 0.000 1.226 403 Y HN 0.299 nan 8.280 nan 0.000 0.460 404 T N 0.037 114.718 114.554 0.212 0.000 2.902 404 T HA 0.721 5.071 4.350 -0.000 0.000 0.280 404 T C -0.216 174.576 174.700 0.153 0.000 0.992 404 T CA -0.829 61.371 62.100 0.167 0.000 1.015 404 T CB 0.766 69.694 68.868 0.101 0.000 1.044 404 T HN 0.468 nan 8.240 nan 0.000 0.520 405 L N 1.632 122.917 121.223 0.103 0.000 2.416 405 L HA 0.405 4.745 4.340 -0.000 0.000 0.262 405 L C 1.064 177.962 176.870 0.047 0.000 1.093 405 L CA -1.144 53.694 54.840 -0.004 0.000 0.801 405 L CB 0.596 42.621 42.059 -0.057 0.000 1.191 405 L HN 0.717 nan 8.230 nan 0.000 0.459 406 N N 0.901 119.644 118.700 0.072 0.000 2.420 406 N HA -0.038 4.702 4.740 -0.000 0.000 0.262 406 N C 0.051 175.665 175.510 0.173 0.000 1.144 406 N CA -0.020 53.125 53.050 0.159 0.000 0.952 406 N CB 1.175 39.856 38.487 0.324 0.000 1.081 406 N HN 0.543 nan 8.380 nan 0.000 0.480 407 D N 2.418 122.887 120.400 0.115 0.000 2.117 407 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 407 D C 1.293 177.659 176.300 0.110 0.000 0.987 407 D CA 1.504 55.566 54.000 0.105 0.000 0.829 407 D CB 0.034 40.873 40.800 0.065 0.000 0.961 407 D HN 0.577 nan 8.370 nan 0.000 0.460 408 T N -0.501 114.090 114.554 0.062 0.000 2.684 408 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 408 T C 1.762 176.505 174.700 0.072 0.000 1.036 408 T CA 1.182 63.281 62.100 -0.002 0.000 1.148 408 T CB -0.626 68.166 68.868 -0.127 0.000 0.863 408 T HN 0.342 nan 8.240 nan 0.000 0.436 409 W N 1.257 122.629 121.300 0.120 0.000 2.342 409 W HA -0.037 4.623 4.660 -0.000 0.000 0.297 409 W C 2.855 179.494 176.519 0.199 0.000 1.213 409 W CA 0.535 57.981 57.345 0.170 0.000 1.251 409 W CB -0.327 29.251 29.460 0.197 0.000 1.136 409 W HN 0.234 nan 8.180 nan 0.000 0.526 410 A N 0.243 123.307 122.820 0.407 0.000 1.969 410 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 410 A C 1.830 179.643 177.584 0.381 0.000 1.169 410 A CA 1.626 53.902 52.037 0.398 0.000 0.635 410 A CB -0.530 18.652 19.000 0.303 0.000 0.810 410 A HN 0.296 nan 8.150 nan 0.000 0.445 411 K N -0.635 119.910 120.400 0.241 0.000 2.155 411 K HA 0.063 4.383 4.320 -0.000 0.000 0.203 411 K C 1.680 178.397 176.600 0.196 0.000 1.052 411 K CA 1.120 57.502 56.287 0.158 0.000 0.948 411 K CB -0.237 32.303 32.500 0.068 0.000 0.728 411 K HN 0.510 nan 8.250 nan 0.000 0.448 412 I N 0.483 121.190 120.570 0.228 0.000 2.202 412 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 412 I C 2.630 178.910 176.117 0.272 0.000 1.091 412 I CA 1.147 62.580 61.300 0.220 0.000 1.368 412 I CB -0.383 37.782 38.000 0.274 0.000 1.058 412 I HN 0.319 nan 8.210 nan 0.000 0.410 413 H N 0.890 120.139 119.070 0.297 0.000 2.289 413 H HA -0.322 4.234 4.556 -0.000 0.000 0.294 413 H C 2.315 177.783 175.328 0.234 0.000 1.095 413 H CA 2.575 58.801 56.048 0.298 0.000 1.256 413 H CB -0.342 29.646 29.762 0.376 0.000 1.359 413 H HN 0.315 nan 8.280 nan 0.000 0.487 414 F N 1.400 121.243 119.950 -0.178 0.000 2.087 414 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 414 F C 2.685 178.254 175.800 -0.385 0.000 1.100 414 F CA 2.176 59.769 58.000 -0.679 0.000 1.226 414 F CB -0.846 37.606 39.000 -0.913 0.000 0.983 414 F HN 0.263 nan 8.300 nan 0.000 0.479 415 A N 0.551 123.178 122.820 -0.320 0.000 1.877 415 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 415 A C 2.291 179.765 177.584 -0.184 0.000 1.186 415 A CA 1.955 53.821 52.037 -0.285 0.000 0.620 415 A CB -1.221 17.746 19.000 -0.055 0.000 0.822 415 A HN 0.511 nan 8.150 nan 0.000 0.443 416 I N -1.427 119.091 120.570 -0.087 0.000 2.179 416 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 416 I C 2.635 178.724 176.117 -0.046 0.000 1.088 416 I CA 1.897 63.187 61.300 -0.017 0.000 1.357 416 I CB -0.295 37.744 38.000 0.065 0.000 1.051 416 I HN 0.375 nan 8.210 nan 0.000 0.409 417 M N 0.492 120.015 119.600 -0.129 0.000 2.106 417 M HA -0.274 4.206 4.480 -0.000 0.000 0.259 417 M C 2.092 178.390 176.300 -0.003 0.000 1.068 417 M CA 1.956 57.219 55.300 -0.061 0.000 1.100 417 M CB -0.668 31.885 32.600 -0.079 0.000 1.351 417 M HN 0.218 nan 8.290 nan 0.000 0.404 418 F N -0.687 119.080 119.950 -0.305 0.000 2.146 418 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 418 F C 1.890 177.654 175.800 -0.061 0.000 1.096 418 F CA 1.616 59.518 58.000 -0.163 0.000 1.275 418 F CB -0.404 38.243 39.000 -0.587 0.000 1.008 418 F HN -0.042 nan 8.300 nan 0.000 0.480 419 V N 0.271 120.244 119.914 0.097 0.000 2.295 419 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 419 V C 2.709 178.794 176.094 -0.016 0.000 1.049 419 V CA 2.064 64.399 62.300 0.057 0.000 1.024 419 V CB -1.597 30.265 31.823 0.065 0.000 0.648 419 V HN 0.541 nan 8.190 nan 0.000 0.447 420 G N 0.263 109.059 108.800 -0.006 0.000 2.402 420 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 420 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 420 G C 1.748 176.613 174.900 -0.058 0.000 1.162 420 G CA 1.424 46.516 45.100 -0.013 0.000 0.777 420 G HN 0.559 nan 8.290 nan 0.000 0.539 421 V N -0.542 119.356 119.914 -0.026 0.000 2.427 421 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 421 V C 2.234 178.266 176.094 -0.104 0.000 1.051 421 V CA 2.072 64.370 62.300 -0.004 0.000 1.048 421 V CB -0.657 31.232 31.823 0.110 0.000 0.666 421 V HN 0.246 nan 8.190 nan 0.000 0.456 422 N N 0.107 118.697 118.700 -0.184 0.000 2.216 422 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 422 N C 1.870 177.372 175.510 -0.013 0.000 1.017 422 N CA 2.041 55.018 53.050 -0.121 0.000 0.861 422 N CB -0.254 38.097 38.487 -0.226 0.000 0.986 422 N HN 0.580 nan 8.380 nan 0.000 0.428 423 M N 0.923 120.493 119.600 -0.050 0.000 2.159 423 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 423 M C 1.638 177.873 176.300 -0.108 0.000 1.063 423 M CA 1.291 56.576 55.300 -0.025 0.000 1.110 423 M CB -0.123 32.469 32.600 -0.014 0.000 1.374 423 M HN 0.007 nan 8.290 nan 0.000 0.411 424 T N 0.069 114.461 114.554 -0.270 0.000 2.708 424 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 424 T C 1.183 175.493 174.700 -0.651 0.000 1.037 424 T CA 1.705 63.449 62.100 -0.593 0.000 1.146 424 T CB -0.304 67.955 68.868 -1.016 0.000 0.865 424 T HN 0.432 nan 8.240 nan 0.000 0.435 425 F N -1.022 118.860 119.950 -0.115 0.000 2.653 425 F HA 0.339 4.866 4.527 -0.000 0.000 0.288 425 F C 1.742 177.506 175.800 -0.060 0.000 1.121 425 F CA -0.601 57.310 58.000 -0.149 0.000 1.384 425 F CB -0.165 38.687 39.000 -0.247 0.000 1.115 425 F HN 0.003 nan 8.300 nan 0.000 0.599 426 F N 2.994 122.997 119.950 0.089 0.000 2.095 426 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 426 F C -0.858 174.735 175.800 -0.344 0.000 1.104 426 F CA 1.393 59.416 58.000 0.038 0.000 1.232 426 F CB -1.600 37.409 39.000 0.015 0.000 0.987 426 F HN -0.156 nan 8.300 nan 0.000 0.475 427 P HA -0.139 nan 4.420 nan 0.000 0.226 427 P C 1.094 178.019 177.300 -0.625 0.000 1.153 427 P CA 1.377 64.037 63.100 -0.734 0.000 0.777 427 P CB -0.238 31.378 31.700 -0.142 0.000 0.794 428 Q N -1.380 118.157 119.800 -0.439 0.000 2.291 428 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 428 Q C 1.674 177.427 176.000 -0.413 0.000 0.976 428 Q CA 1.158 56.764 55.803 -0.327 0.000 0.875 428 Q CB -0.696 27.971 28.738 -0.117 0.000 0.927 428 Q HN 0.537 nan 8.270 nan 0.000 0.450 429 H N -0.728 117.952 119.070 -0.651 0.000 2.389 429 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 429 H C 1.466 176.616 175.328 -0.296 0.000 1.081 429 H CA 1.401 57.099 56.048 -0.584 0.000 1.345 429 H CB -0.053 29.171 29.762 -0.896 0.000 1.393 429 H HN 0.190 nan 8.280 nan 0.000 0.520 430 F N 0.625 120.402 119.950 -0.289 0.000 2.095 430 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 430 F C 2.254 178.022 175.800 -0.054 0.000 1.104 430 F CA 0.918 58.754 58.000 -0.274 0.000 1.232 430 F CB -1.201 37.317 39.000 -0.802 0.000 0.987 430 F HN 0.089 nan 8.300 nan 0.000 0.475 431 L N -0.266 121.013 121.223 0.093 0.000 2.079 431 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 431 L C 2.735 179.636 176.870 0.053 0.000 1.081 431 L CA 1.484 56.367 54.840 0.072 0.000 0.752 431 L CB -1.373 40.596 42.059 -0.151 0.000 0.896 431 L HN 0.296 nan 8.230 nan 0.000 0.433 432 G N -0.178 108.687 108.800 0.109 0.000 2.394 432 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 432 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 432 G C 1.609 176.597 174.900 0.146 0.000 1.176 432 G CA 0.320 45.515 45.100 0.159 0.000 0.786 432 G HN 0.203 nan 8.290 nan 0.000 0.533 433 L N 1.648 122.986 121.223 0.192 0.000 2.079 433 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 433 L C 3.098 180.038 176.870 0.118 0.000 1.081 433 L CA 1.571 56.476 54.840 0.108 0.000 0.752 433 L CB -0.403 41.740 42.059 0.141 0.000 0.896 433 L HN 0.420 nan 8.230 nan 0.000 0.433 434 S N -0.825 114.991 115.700 0.193 0.000 2.607 434 S HA 0.128 4.598 4.470 -0.000 0.000 0.224 434 S C 1.432 176.213 174.600 0.302 0.000 0.969 434 S CA 0.414 58.768 58.200 0.256 0.000 0.927 434 S CB 0.310 63.727 63.200 0.360 0.000 0.772 434 S HN 0.582 nan 8.310 nan 0.000 0.533 435 G N 0.956 109.856 108.800 0.167 0.000 2.148 435 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 435 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 435 G C -0.102 174.760 174.900 -0.064 0.000 0.993 435 G CA -0.024 45.134 45.100 0.096 0.000 0.661 435 G HN 0.576 nan 8.290 nan 0.000 0.518 436 M N 1.763 121.149 119.600 -0.356 0.000 2.268 436 M HA 0.338 4.818 4.480 -0.000 0.000 0.349 436 M C -1.932 174.207 176.300 -0.269 0.000 1.485 436 M CA -1.171 53.750 55.300 -0.632 0.000 1.094 436 M CB 0.493 32.569 32.600 -0.874 0.000 1.843 436 M HN -0.006 nan 8.290 nan 0.000 0.460 437 P HA 0.100 nan 4.420 nan 0.000 0.270 437 P C -1.053 176.071 177.300 -0.293 0.000 1.223 437 P CA 0.097 62.881 63.100 -0.526 0.000 0.785 437 P CB 0.492 31.482 31.700 -1.184 0.000 0.923 438 R N 1.307 121.660 120.500 -0.245 0.000 2.577 438 R HA 0.380 4.720 4.340 -0.000 0.000 0.269 438 R C 0.493 176.825 176.300 0.053 0.000 1.084 438 R CA -0.463 55.495 56.100 -0.236 0.000 1.163 438 R CB 0.165 30.334 30.300 -0.217 0.000 1.100 438 R HN 0.397 nan 8.270 nan 0.000 0.547 439 R N -0.300 120.327 120.500 0.211 0.000 3.776 439 R HA -0.218 4.122 4.340 -0.000 0.000 0.312 439 R C -1.119 175.533 176.300 0.586 0.000 1.181 439 R CA 0.709 57.033 56.100 0.374 0.000 0.836 439 R CB -1.796 28.649 30.300 0.243 0.000 1.324 439 R HN 0.568 nan 8.270 nan 0.000 0.501 440 Y N -0.749 119.710 120.300 0.266 0.000 2.342 440 Y HA 0.146 4.696 4.550 -0.000 0.000 0.334 440 Y C 1.675 177.519 175.900 -0.094 0.000 1.067 440 Y CA -0.150 58.028 58.100 0.131 0.000 1.128 440 Y CB 1.618 40.164 38.460 0.144 0.000 1.200 440 Y HN 0.149 nan 8.280 nan 0.000 0.464 441 S N -0.128 115.391 115.700 -0.301 0.000 2.503 441 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 441 S C -0.115 174.233 174.600 -0.420 0.000 0.999 441 S CA 0.278 58.011 58.200 -0.779 0.000 0.914 441 S CB 0.277 63.126 63.200 -0.586 0.000 0.782 441 S HN 0.712 nan 8.310 nan 0.000 0.520 442 D N -0.495 119.762 120.400 -0.238 0.000 2.639 442 D HA 0.503 5.143 4.640 -0.000 0.000 0.271 442 D C -1.943 174.309 176.300 -0.081 0.000 1.254 442 D CA -0.721 53.087 54.000 -0.320 0.000 0.810 442 D CB 1.651 42.261 40.800 -0.317 0.000 1.351 442 D HN 0.224 nan 8.370 nan 0.000 0.427 443 Y N -2.015 118.344 120.300 0.097 0.000 2.544 443 Y HA 0.678 5.228 4.550 -0.000 0.000 0.342 443 Y C -2.694 173.343 175.900 0.228 0.000 1.062 443 Y CA -2.361 55.871 58.100 0.219 0.000 1.023 443 Y CB -0.036 38.541 38.460 0.196 0.000 1.308 443 Y HN 0.054 nan 8.280 nan 0.000 0.457 444 P HA -0.025 nan 4.420 nan 0.000 0.266 444 P C 0.172 177.638 177.300 0.277 0.000 1.180 444 P CA 0.452 63.733 63.100 0.302 0.000 0.765 444 P CB 0.899 32.760 31.700 0.268 0.000 0.806 445 D N 1.757 122.220 120.400 0.105 0.000 2.182 445 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 445 D C 1.922 178.222 176.300 0.001 0.000 0.986 445 D CA 1.747 55.795 54.000 0.080 0.000 0.847 445 D CB -0.619 40.188 40.800 0.011 0.000 0.942 445 D HN 0.398 nan 8.370 nan 0.000 0.467 446 A N 0.234 122.960 122.820 -0.158 0.000 1.997 446 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 446 A C 1.412 178.816 177.584 -0.301 0.000 1.172 446 A CA 1.202 53.060 52.037 -0.298 0.000 0.645 446 A CB -0.991 17.727 19.000 -0.471 0.000 0.813 446 A HN 0.316 nan 8.150 nan 0.000 0.454 447 Y N 0.047 120.347 120.300 -0.000 0.000 2.471 447 Y HA 0.075 4.625 4.550 -0.000 0.000 0.286 447 Y C 2.379 178.082 175.900 -0.328 0.000 1.188 447 Y CA 0.565 58.581 58.100 -0.139 0.000 1.286 447 Y CB -1.030 37.313 38.460 -0.195 0.000 1.072 447 Y HN 0.203 nan 8.280 nan 0.000 0.517 448 T N 0.171 114.697 114.554 -0.047 0.000 2.708 448 T HA -0.265 4.085 4.350 -0.000 0.000 0.266 448 T C 2.075 176.681 174.700 -0.156 0.000 1.037 448 T CA 1.673 63.764 62.100 -0.016 0.000 1.146 448 T CB -0.213 68.707 68.868 0.088 0.000 0.865 448 T HN 0.457 nan 8.240 nan 0.000 0.435 449 M N -0.484 118.948 119.600 -0.279 0.000 2.086 449 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 449 M C 1.873 178.014 176.300 -0.265 0.000 1.067 449 M CA 1.843 56.915 55.300 -0.379 0.000 1.116 449 M CB -0.225 31.949 32.600 -0.710 0.000 1.348 449 M HN 0.403 nan 8.290 nan 0.000 0.407 450 W N 0.489 121.761 121.300 -0.046 0.000 2.402 450 W HA -0.098 4.562 4.660 -0.000 0.000 0.286 450 W C 2.203 178.626 176.519 -0.160 0.000 1.221 450 W CA 0.112 57.432 57.345 -0.042 0.000 1.257 450 W CB -0.584 28.892 29.460 0.026 0.000 1.120 450 W HN 0.309 nan 8.180 nan 0.000 0.551 451 N N 0.095 118.736 118.700 -0.097 0.000 2.120 451 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 451 N C 1.522 176.972 175.510 -0.100 0.000 1.024 451 N CA 2.139 55.052 53.050 -0.228 0.000 0.852 451 N CB -0.738 37.422 38.487 -0.545 0.000 1.003 451 N HN 0.099 nan 8.380 nan 0.000 0.424 452 T N 2.246 116.761 114.554 -0.064 0.000 2.652 452 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 452 T C 2.162 176.838 174.700 -0.040 0.000 1.039 452 T CA 0.954 63.028 62.100 -0.044 0.000 1.153 452 T CB -0.271 68.569 68.868 -0.047 0.000 0.863 452 T HN 0.186 nan 8.240 nan 0.000 0.428 453 I N 1.063 121.640 120.570 0.012 0.000 2.226 453 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 453 I C 2.820 178.933 176.117 -0.007 0.000 1.100 453 I CA 1.162 62.488 61.300 0.045 0.000 1.374 453 I CB -0.463 37.646 38.000 0.181 0.000 1.057 453 I HN 0.258 nan 8.210 nan 0.000 0.413 454 S N 0.217 115.898 115.700 -0.031 0.000 2.370 454 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 454 S C 2.223 176.725 174.600 -0.163 0.000 1.033 454 S CA 2.134 60.250 58.200 -0.141 0.000 1.011 454 S CB -0.230 62.855 63.200 -0.192 0.000 0.852 454 S HN 0.406 nan 8.310 nan 0.000 0.457 455 S N 1.042 116.668 115.700 -0.123 0.000 2.399 455 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 455 S C 1.869 176.379 174.600 -0.150 0.000 1.022 455 S CA 1.467 59.595 58.200 -0.120 0.000 0.983 455 S CB -0.366 62.771 63.200 -0.106 0.000 0.803 455 S HN 0.533 nan 8.310 nan 0.000 0.480 456 M N 0.853 120.365 119.600 -0.146 0.000 2.099 456 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 456 M C 2.538 178.815 176.300 -0.038 0.000 1.067 456 M CA 1.491 56.711 55.300 -0.132 0.000 1.124 456 M CB -0.931 31.617 32.600 -0.087 0.000 1.353 456 M HN 0.455 nan 8.290 nan 0.000 0.410 457 G N 0.222 108.989 108.800 -0.056 0.000 2.469 457 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 457 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 457 G C 1.606 176.481 174.900 -0.041 0.000 1.150 457 G CA 1.516 46.579 45.100 -0.061 0.000 0.763 457 G HN 0.562 nan 8.290 nan 0.000 0.561 458 S N 0.041 115.708 115.700 -0.055 0.000 2.387 458 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 458 S C 2.168 176.885 174.600 0.194 0.000 1.035 458 S CA 1.405 59.620 58.200 0.024 0.000 1.014 458 S CB -0.657 62.556 63.200 0.021 0.000 0.836 458 S HN 0.392 nan 8.310 nan 0.000 0.466 459 F N 0.977 120.903 119.950 -0.040 0.000 2.259 459 F HA 0.175 4.702 4.527 -0.000 0.000 0.298 459 F C 2.240 178.039 175.800 -0.002 0.000 1.088 459 F CA 0.587 58.578 58.000 -0.014 0.000 1.358 459 F CB -0.144 38.851 39.000 -0.009 0.000 1.040 459 F HN 0.215 nan 8.300 nan 0.000 0.505 460 I N -0.936 119.737 120.570 0.171 0.000 2.315 460 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 460 I C 2.251 178.413 176.117 0.075 0.000 1.117 460 I CA 1.066 62.426 61.300 0.099 0.000 1.404 460 I CB -0.336 37.703 38.000 0.066 0.000 1.071 460 I HN -0.010 nan 8.210 nan 0.000 0.419 461 S N 0.655 116.396 115.700 0.069 0.000 2.406 461 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 461 S C 1.861 176.503 174.600 0.071 0.000 1.020 461 S CA 0.818 59.065 58.200 0.077 0.000 0.965 461 S CB -0.236 63.014 63.200 0.083 0.000 0.798 461 S HN 0.348 nan 8.310 nan 0.000 0.488 462 L N 1.994 123.234 121.223 0.028 0.000 2.083 462 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 462 L C 2.085 178.950 176.870 -0.009 0.000 1.083 462 L CA 1.843 56.666 54.840 -0.028 0.000 0.752 462 L CB -1.368 40.596 42.059 -0.158 0.000 0.899 462 L HN 0.142 nan 8.230 nan 0.000 0.433 463 T N 0.191 114.751 114.554 0.010 0.000 2.720 463 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 463 T C 1.955 176.712 174.700 0.096 0.000 1.037 463 T CA 1.443 63.564 62.100 0.035 0.000 1.144 463 T CB -0.617 68.281 68.868 0.051 0.000 0.864 463 T HN 0.568 nan 8.240 nan 0.000 0.444 464 A N 1.015 123.916 122.820 0.135 0.000 1.908 464 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 464 A C 2.599 180.365 177.584 0.302 0.000 1.181 464 A CA 1.481 53.671 52.037 0.256 0.000 0.627 464 A CB -1.069 18.035 19.000 0.174 0.000 0.818 464 A HN 0.359 nan 8.150 nan 0.000 0.445 465 V N 0.153 120.176 119.914 0.180 0.000 2.287 465 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 465 V C 2.683 178.809 176.094 0.053 0.000 1.053 465 V CA 2.364 64.733 62.300 0.114 0.000 1.027 465 V CB -0.785 31.074 31.823 0.059 0.000 0.646 465 V HN 0.587 nan 8.190 nan 0.000 0.447 466 M N -0.962 118.659 119.600 0.035 0.000 2.086 466 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 466 M C 2.296 178.618 176.300 0.037 0.000 1.067 466 M CA 1.838 57.144 55.300 0.009 0.000 1.116 466 M CB -0.628 31.960 32.600 -0.020 0.000 1.348 466 M HN 0.321 nan 8.290 nan 0.000 0.407 467 L N 0.626 121.893 121.223 0.074 0.000 2.042 467 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 467 L C 2.575 179.471 176.870 0.044 0.000 1.076 467 L CA 1.728 56.627 54.840 0.098 0.000 0.749 467 L CB -0.475 41.695 42.059 0.186 0.000 0.893 467 L HN 0.308 nan 8.230 nan 0.000 0.432 468 M N -1.872 117.682 119.600 -0.077 0.000 2.117 468 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 468 M C 2.037 178.258 176.300 -0.133 0.000 1.065 468 M CA 1.923 57.047 55.300 -0.292 0.000 1.114 468 M CB -0.094 32.275 32.600 -0.385 0.000 1.361 468 M HN 0.145 nan 8.290 nan 0.000 0.408 469 V N 0.847 120.734 119.914 -0.045 0.000 2.287 469 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 469 V C 2.242 178.369 176.094 0.056 0.000 1.053 469 V CA 2.307 64.612 62.300 0.008 0.000 1.027 469 V CB -1.149 30.685 31.823 0.018 0.000 0.646 469 V HN 0.661 nan 8.190 nan 0.000 0.447 470 F N 0.619 120.529 119.950 -0.067 0.000 2.134 470 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 470 F C 2.073 177.868 175.800 -0.009 0.000 1.097 470 F CA 1.616 59.591 58.000 -0.041 0.000 1.264 470 F CB -0.340 38.542 39.000 -0.197 0.000 1.001 470 F HN 0.081 nan 8.300 nan 0.000 0.479 471 I N 0.258 120.602 120.570 -0.377 0.000 2.286 471 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 471 I C 2.384 178.264 176.117 -0.394 0.000 1.115 471 I CA 1.425 62.424 61.300 -0.500 0.000 1.392 471 I CB -0.477 37.396 38.000 -0.212 0.000 1.065 471 I HN 0.183 nan 8.210 nan 0.000 0.418 472 I N -0.413 120.024 120.570 -0.222 0.000 2.179 472 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 472 I C 2.480 178.600 176.117 0.005 0.000 1.088 472 I CA 1.604 62.820 61.300 -0.140 0.000 1.357 472 I CB -0.491 37.550 38.000 0.070 0.000 1.051 472 I HN 0.413 nan 8.210 nan 0.000 0.409 473 W N 2.329 123.555 121.300 -0.122 0.000 2.317 473 W HA -0.275 4.385 4.660 -0.000 0.000 0.318 473 W C 2.531 178.941 176.519 -0.182 0.000 1.227 473 W CA 1.956 59.257 57.345 -0.074 0.000 1.269 473 W CB -0.284 29.115 29.460 -0.101 0.000 1.155 473 W HN 0.065 nan 8.180 nan 0.000 0.484 474 E N 0.652 120.481 120.200 -0.618 0.000 2.118 474 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 474 E C 2.093 178.344 176.600 -0.581 0.000 0.992 474 E CA 1.761 57.655 56.400 -0.844 0.000 0.804 474 E CB -0.558 28.680 29.700 -0.770 0.000 0.741 474 E HN 0.366 nan 8.360 nan 0.000 0.458 475 A N 0.123 122.687 122.820 -0.426 0.000 1.855 475 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 475 A C 2.144 179.490 177.584 -0.397 0.000 1.191 475 A CA 1.232 53.072 52.037 -0.328 0.000 0.613 475 A CB -1.067 17.755 19.000 -0.297 0.000 0.829 475 A HN 0.314 nan 8.150 nan 0.000 0.442 476 F N -0.016 119.776 119.950 -0.264 0.000 2.293 476 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 476 F C 2.683 178.183 175.800 -0.500 0.000 1.086 476 F CA 0.646 58.444 58.000 -0.335 0.000 1.375 476 F CB 0.020 38.962 39.000 -0.097 0.000 1.045 476 F HN 0.292 nan 8.300 nan 0.000 0.516 477 A N -0.879 121.651 122.820 -0.484 0.000 1.897 477 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 477 A C 2.244 179.579 177.584 -0.415 0.000 1.181 477 A CA 1.787 53.466 52.037 -0.597 0.000 0.620 477 A CB -0.732 17.511 19.000 -1.262 0.000 0.821 477 A HN 0.261 nan 8.150 nan 0.000 0.443 478 S N -0.807 114.649 115.700 -0.406 0.000 2.446 478 S HA 0.074 4.544 4.470 -0.000 0.000 0.225 478 S C 0.429 174.884 174.600 -0.242 0.000 1.016 478 S CA 0.479 58.523 58.200 -0.261 0.000 0.943 478 S CB -0.088 62.996 63.200 -0.193 0.000 0.786 478 S HN 0.572 nan 8.310 nan 0.000 0.508 479 K N 1.254 121.399 120.400 -0.424 0.000 3.244 479 K HA -0.167 4.153 4.320 -0.000 0.000 0.270 479 K C -0.900 175.657 176.600 -0.073 0.000 1.016 479 K CA 0.285 56.282 56.287 -0.483 0.000 0.754 479 K CB -1.194 31.147 32.500 -0.266 0.000 1.326 479 K HN 0.375 nan 8.250 nan 0.000 0.465 480 R N 1.679 122.170 120.500 -0.014 0.000 2.248 480 R HA 0.114 4.454 4.340 -0.000 0.000 0.337 480 R C -0.085 176.354 176.300 0.231 0.000 1.085 480 R CA -0.104 56.053 56.100 0.094 0.000 0.934 480 R CB 0.493 30.828 30.300 0.057 0.000 1.034 480 R HN 0.242 nan 8.270 nan 0.000 0.465 481 E N 1.956 122.282 120.200 0.210 0.000 2.259 481 E HA 0.123 4.473 4.350 -0.000 0.000 0.281 481 E C -0.219 176.431 176.600 0.084 0.000 1.027 481 E CA -0.529 55.975 56.400 0.173 0.000 0.838 481 E CB 1.647 31.422 29.700 0.125 0.000 1.066 481 E HN 0.201 nan 8.360 nan 0.000 0.401 482 V N 4.937 124.877 119.914 0.043 0.000 2.740 482 V HA -0.069 4.051 4.120 -0.000 0.000 0.303 482 V C 1.184 177.300 176.094 0.036 0.000 1.054 482 V CA 0.604 62.928 62.300 0.040 0.000 1.106 482 V CB 0.694 32.544 31.823 0.044 0.000 0.957 482 V HN 0.736 nan 8.190 nan 0.000 0.486 483 L N 2.612 123.854 121.223 0.032 0.000 2.356 483 L HA 0.223 4.563 4.340 -0.000 0.000 0.193 483 L C 0.875 177.760 176.870 0.026 0.000 1.087 483 L CA 0.817 55.673 54.840 0.028 0.000 0.817 483 L CB 0.260 42.333 42.059 0.023 0.000 1.035 483 L HN 0.635 nan 8.230 nan 0.000 0.482 484 T N -0.239 114.320 114.554 0.008 0.000 2.900 484 T HA 0.575 4.925 4.350 -0.000 0.000 0.295 484 T C -1.007 173.660 174.700 -0.054 0.000 1.044 484 T CA -0.273 61.822 62.100 -0.009 0.000 0.995 484 T CB 2.880 71.740 68.868 -0.012 0.000 1.072 484 T HN -0.278 nan 8.240 nan 0.000 0.473 485 V N 2.597 122.457 119.914 -0.091 0.000 2.656 485 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 485 V C -0.281 175.725 176.094 -0.147 0.000 1.051 485 V CA -0.865 61.305 62.300 -0.215 0.000 0.893 485 V CB 2.201 33.755 31.823 -0.448 0.000 0.999 485 V HN 0.845 nan 8.190 nan 0.000 0.426 486 D N 2.399 122.716 120.400 -0.139 0.000 2.358 486 D HA 0.404 5.044 4.640 -0.000 0.000 0.244 486 D C 0.872 177.063 176.300 -0.181 0.000 1.163 486 D CA 0.223 54.135 54.000 -0.147 0.000 0.945 486 D CB 0.793 41.483 40.800 -0.183 0.000 1.152 486 D HN 0.540 nan 8.370 nan 0.000 0.451 487 L N 0.644 121.762 121.223 -0.176 0.000 4.089 487 L HA -0.315 4.025 4.340 -0.000 0.000 0.408 487 L C 1.687 178.565 176.870 0.014 0.000 1.184 487 L CA 0.734 55.474 54.840 -0.166 0.000 0.947 487 L CB -2.414 39.365 42.059 -0.467 0.000 2.066 487 L HN 0.634 nan 8.230 nan 0.000 0.851 488 T N -4.902 109.676 114.554 0.040 0.000 2.881 488 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 488 T C 1.693 176.483 174.700 0.150 0.000 1.068 488 T CA 1.611 63.797 62.100 0.143 0.000 1.131 488 T CB -0.444 68.513 68.868 0.147 0.000 0.871 488 T HN 0.588 nan 8.240 nan 0.000 0.479 489 T N 0.441 115.050 114.554 0.093 0.000 2.977 489 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 489 T C 1.719 176.485 174.700 0.111 0.000 1.105 489 T CA 1.368 63.523 62.100 0.092 0.000 1.116 489 T CB -0.818 68.080 68.868 0.051 0.000 0.878 489 T HN 0.674 nan 8.240 nan 0.000 0.509 490 T N -1.374 113.255 114.554 0.124 0.000 3.200 490 T HA 0.326 4.676 4.350 -0.000 0.000 0.284 490 T C 0.090 174.930 174.700 0.234 0.000 1.009 490 T CA -0.811 61.374 62.100 0.142 0.000 0.907 490 T CB -0.098 68.819 68.868 0.081 0.000 1.120 490 T HN 0.273 nan 8.240 nan 0.000 0.534 491 N N 1.421 120.308 118.700 0.311 0.000 2.725 491 N HA 0.192 4.932 4.740 -0.000 0.000 0.248 491 N C 0.386 176.188 175.510 0.487 0.000 1.402 491 N CA -0.262 53.074 53.050 0.475 0.000 0.766 491 N CB 1.803 40.670 38.487 0.634 0.000 1.223 491 N HN 0.049 nan 8.380 nan 0.000 0.515 492 L N 2.162 123.611 121.223 0.377 0.000 2.137 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 492 L C 2.464 179.560 176.870 0.376 0.000 1.085 492 L CA 2.008 57.057 54.840 0.348 0.000 0.760 492 L CB -0.085 42.138 42.059 0.273 0.000 0.893 492 L HN 0.434 nan 8.230 nan 0.000 0.434 493 E N -1.552 118.858 120.200 0.349 0.000 2.265 493 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 493 E C 1.741 178.415 176.600 0.123 0.000 0.996 493 E CA 1.526 58.053 56.400 0.212 0.000 0.832 493 E CB -0.993 28.758 29.700 0.084 0.000 0.756 493 E HN 0.711 nan 8.360 nan 0.000 0.491 494 W N 0.221 121.661 121.300 0.232 0.000 3.139 494 W HA 0.189 4.849 4.660 -0.000 0.000 0.260 494 W C 1.581 178.174 176.519 0.124 0.000 1.312 494 W CA -0.469 56.966 57.345 0.150 0.000 1.606 494 W CB 0.083 29.614 29.460 0.120 0.000 1.118 494 W HN 0.060 nan 8.180 nan 0.000 0.675 495 L N 0.934 122.364 121.223 0.344 0.000 2.610 495 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 495 L C 1.119 178.072 176.870 0.138 0.000 1.149 495 L CA 1.347 56.332 54.840 0.241 0.000 0.872 495 L CB -0.657 41.544 42.059 0.238 0.000 0.992 495 L HN -0.007 nan 8.230 nan 0.000 0.447 496 N N 0.060 118.820 118.700 0.100 0.000 2.251 496 N HA 0.225 4.965 4.740 -0.000 0.000 0.217 496 N C 0.721 176.260 175.510 0.049 0.000 1.124 496 N CA 0.758 53.813 53.050 0.009 0.000 0.843 496 N CB 0.618 39.047 38.487 -0.096 0.000 1.024 496 N HN 0.321 nan 8.380 nan 0.000 0.501 497 G N 0.434 109.297 108.800 0.105 0.000 2.796 497 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.571 497 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.571 497 G C -0.813 174.141 174.900 0.089 0.000 1.370 497 G CA -0.698 44.463 45.100 0.101 0.000 0.856 497 G HN 0.289 nan 8.290 nan 0.000 0.538 498 C N 2.358 121.693 119.300 0.058 0.000 2.346 498 C HA 0.690 5.150 4.460 -0.000 0.000 0.326 498 C C -1.513 173.436 174.990 -0.069 0.000 1.224 498 C CA -0.831 58.185 59.018 -0.003 0.000 1.408 498 C CB 1.228 28.978 27.740 0.017 0.000 2.089 498 C HN 0.808 nan 8.230 nan 0.000 0.456 499 P HA 0.285 nan 4.420 nan 0.000 0.274 499 P C -2.492 174.848 177.300 0.066 0.000 1.237 499 P CA -1.040 62.069 63.100 0.016 0.000 0.793 499 P CB -0.093 31.657 31.700 0.084 0.000 0.977 500 P HA 0.216 nan 4.420 nan 0.000 0.272 500 P C -2.406 174.924 177.300 0.051 0.000 1.230 500 P CA -1.297 61.851 63.100 0.080 0.000 0.788 500 P CB -1.108 30.657 31.700 0.110 0.000 0.949 501 P HA 0.014 nan 4.420 nan 0.000 0.271 501 P C 0.763 178.066 177.300 0.006 0.000 1.233 501 P CA -0.062 63.058 63.100 0.033 0.000 0.789 501 P CB 0.236 31.958 31.700 0.037 0.000 0.951 502 Y N 0.361 120.577 120.300 -0.139 0.000 2.128 502 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 502 Y C 1.129 176.832 175.900 -0.329 0.000 1.154 502 Y CA 1.710 59.636 58.100 -0.290 0.000 1.149 502 Y CB -0.138 38.121 38.460 -0.335 0.000 0.976 502 Y HN 0.296 nan 8.280 nan 0.000 0.505 503 H N 0.891 120.004 119.070 0.073 0.000 2.594 503 H HA 0.292 4.848 4.556 -0.000 0.000 0.304 503 H C 0.021 175.338 175.328 -0.019 0.000 1.068 503 H CA 0.282 56.334 56.048 0.005 0.000 1.308 503 H CB 0.789 30.592 29.762 0.068 0.000 1.409 503 H HN 0.188 nan 8.280 nan 0.000 0.460 504 T N -0.981 113.635 114.554 0.105 0.000 2.940 504 T HA 0.326 4.676 4.350 -0.000 0.000 0.288 504 T C 0.167 174.892 174.700 0.042 0.000 1.045 504 T CA -0.873 61.196 62.100 -0.052 0.000 1.018 504 T CB 1.188 69.974 68.868 -0.136 0.000 1.151 504 T HN 0.401 nan 8.240 nan 0.000 0.529 505 F N 0.004 119.992 119.950 0.064 0.000 3.048 505 F HA -0.208 4.319 4.527 -0.000 0.000 0.269 505 F C 1.292 177.106 175.800 0.023 0.000 0.960 505 F CA 0.446 58.470 58.000 0.040 0.000 0.909 505 F CB -2.384 36.629 39.000 0.022 0.000 0.837 505 F HN 0.781 nan 8.300 nan 0.000 0.768 506 E N 0.170 120.417 120.200 0.079 0.000 2.153 506 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 506 E C 1.098 177.728 176.600 0.050 0.000 0.988 506 E CA 1.319 57.743 56.400 0.040 0.000 0.811 506 E CB 0.062 29.754 29.700 -0.012 0.000 0.746 506 E HN 0.655 nan 8.360 nan 0.000 0.466 507 E N 1.906 122.147 120.200 0.069 0.000 2.113 507 E HA 0.154 4.504 4.350 -0.000 0.000 0.273 507 E C -2.363 174.331 176.600 0.157 0.000 0.924 507 E CA -2.681 53.769 56.400 0.084 0.000 0.764 507 E CB 0.949 30.687 29.700 0.064 0.000 1.104 507 E HN -0.151 nan 8.360 nan 0.000 0.406 508 P HA -0.003 nan 4.420 nan 0.000 0.272 508 P C -0.094 177.332 177.300 0.210 0.000 1.240 508 P CA -0.329 62.885 63.100 0.189 0.000 0.791 508 P CB 0.535 32.283 31.700 0.080 0.000 0.978 509 T N -1.165 113.517 114.554 0.213 0.000 2.791 509 T HA 0.021 4.371 4.350 -0.000 0.000 0.323 509 T C -0.312 174.492 174.700 0.174 0.000 1.082 509 T CA -0.083 62.140 62.100 0.205 0.000 1.084 509 T CB -0.091 68.864 68.868 0.145 0.000 0.992 509 T HN 0.396 nan 8.240 nan 0.000 0.547 510 Y N 1.263 121.603 120.300 0.066 0.000 2.335 510 Y HA 0.542 5.092 4.550 -0.000 0.000 0.339 510 Y C -1.197 174.724 175.900 0.034 0.000 0.987 510 Y CA -1.195 56.931 58.100 0.042 0.000 1.140 510 Y CB 0.846 39.331 38.460 0.042 0.000 1.173 510 Y HN 0.582 nan 8.280 nan 0.000 0.486 511 V N 6.603 126.312 119.914 -0.342 0.000 2.482 511 V HA 0.266 4.386 4.120 -0.000 0.000 0.295 511 V C -0.426 175.445 176.094 -0.372 0.000 1.026 511 V CA -1.272 60.904 62.300 -0.208 0.000 0.856 511 V CB 1.409 33.179 31.823 -0.089 0.000 1.001 511 V HN 0.857 nan 8.190 nan 0.000 0.424 512 N N 2.569 121.099 118.700 -0.284 0.000 2.453 512 N HA 0.296 5.036 4.740 -0.000 0.000 0.253 512 N C 0.830 176.283 175.510 -0.094 0.000 1.252 512 N CA -0.330 52.612 53.050 -0.180 0.000 0.917 512 N CB 1.180 39.680 38.487 0.022 0.000 1.117 512 N HN 0.615 nan 8.380 nan 0.000 0.442 513 L N 1.399 122.580 121.223 -0.070 0.000 2.298 513 L HA 0.166 4.506 4.340 -0.000 0.000 0.209 513 L C 0.439 177.304 176.870 -0.010 0.000 1.084 513 L CA 0.552 55.370 54.840 -0.035 0.000 0.816 513 L CB -0.082 41.957 42.059 -0.033 0.000 0.967 513 L HN 0.681 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.401 120.400 0.002 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.295 56.287 0.014 0.000 0.838 514 K CB 0.000 32.510 32.500 0.016 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543