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 2dyr_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 0.000 175.818 175.800 0.030 0.000 0.967 2 F CA 0.000 58.051 58.000 0.086 0.000 1.383 2 F CB 0.000 39.055 39.000 0.092 0.000 1.145 3 I N 1.583 122.189 120.570 0.060 0.000 2.226 3 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 3 I C 1.572 177.350 176.117 -0.564 0.000 1.100 3 I CA 1.679 62.832 61.300 -0.246 0.000 1.374 3 I CB -0.507 37.309 38.000 -0.308 0.000 1.057 3 I HN 0.275 nan 8.210 nan 0.000 0.413 4 N N 0.683 119.129 118.700 -0.425 0.000 2.166 4 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 4 N C 1.863 177.219 175.510 -0.257 0.000 1.019 4 N CA 1.120 53.991 53.050 -0.298 0.000 0.856 4 N CB -0.364 38.056 38.487 -0.111 0.000 0.993 4 N HN 0.325 nan 8.380 nan 0.000 0.426 5 R N -0.887 119.374 120.500 -0.398 0.000 2.062 5 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 5 R C 1.241 177.020 176.300 -0.868 0.000 1.125 5 R CA 1.113 56.815 56.100 -0.664 0.000 0.966 5 R CB -0.106 29.670 30.300 -0.874 0.000 0.861 5 R HN 0.250 nan 8.270 nan 0.000 0.433 6 W N -0.883 120.213 121.300 -0.340 0.000 2.996 6 W HA 0.183 4.843 4.660 -0.000 0.000 0.270 6 W C 1.160 177.697 176.519 0.030 0.000 1.280 6 W CA -0.513 56.672 57.345 -0.266 0.000 1.549 6 W CB 0.406 29.515 29.460 -0.584 0.000 1.079 6 W HN 0.084 nan 8.180 nan 0.000 0.629 7 L N -1.764 119.508 121.223 0.081 0.000 2.537 7 L HA 0.203 4.543 4.340 -0.000 0.000 0.224 7 L C 0.813 177.928 176.870 0.407 0.000 1.065 7 L CA 0.891 55.819 54.840 0.147 0.000 0.860 7 L CB -0.317 41.604 42.059 -0.231 0.000 1.086 7 L HN -0.169 nan 8.230 nan 0.000 0.482 8 F N -1.152 118.808 119.950 0.016 0.000 2.708 8 F HA 0.393 4.920 4.527 -0.000 0.000 0.300 8 F C 1.237 177.030 175.800 -0.012 0.000 1.118 8 F CA -1.120 56.878 58.000 -0.003 0.000 1.307 8 F CB -1.011 37.965 39.000 -0.040 0.000 0.986 8 F HN -0.198 nan 8.300 nan 0.000 0.522 9 S N 1.007 116.798 115.700 0.152 0.000 2.563 9 S HA 0.182 4.652 4.470 -0.000 0.000 0.284 9 S C 1.077 175.690 174.600 0.021 0.000 1.331 9 S CA 0.788 58.989 58.200 0.002 0.000 1.047 9 S CB 0.342 63.476 63.200 -0.109 0.000 0.859 9 S HN 0.490 nan 8.310 nan 0.000 0.514 10 T N 1.099 115.634 114.554 -0.032 0.000 3.460 10 T HA 0.300 4.650 4.350 -0.000 0.000 0.304 10 T C -0.343 174.291 174.700 -0.111 0.000 0.991 10 T CA -0.710 61.371 62.100 -0.030 0.000 0.975 10 T CB -0.480 68.394 68.868 0.011 0.000 1.196 10 T HN 0.532 nan 8.240 nan 0.000 0.490 11 N N 1.445 120.006 118.700 -0.232 0.000 2.392 11 N HA 0.169 4.909 4.740 -0.000 0.000 0.283 11 N C 1.013 176.259 175.510 -0.440 0.000 1.003 11 N CA -0.279 52.501 53.050 -0.450 0.000 0.892 11 N CB 1.552 39.534 38.487 -0.842 0.000 1.193 11 N HN 0.568 nan 8.380 nan 0.000 0.487 12 H N 3.295 122.113 119.070 -0.419 0.000 2.421 12 H HA -0.015 4.541 4.556 -0.000 0.000 0.298 12 H C 1.035 175.999 175.328 -0.606 0.000 1.087 12 H CA 1.455 57.264 56.048 -0.399 0.000 1.330 12 H CB 0.326 29.899 29.762 -0.315 0.000 1.388 12 H HN 0.494 nan 8.280 nan 0.000 0.526 13 K N 0.305 119.781 120.400 -1.540 0.000 2.007 13 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 13 K C 1.724 177.575 176.600 -1.249 0.000 1.047 13 K CA 1.359 56.483 56.287 -1.938 0.000 0.937 13 K CB 0.018 31.354 32.500 -1.940 0.000 0.718 13 K HN 0.270 nan 8.250 nan 0.000 0.438 14 D N 1.170 121.096 120.400 -0.790 0.000 2.117 14 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 14 D C 1.883 178.024 176.300 -0.264 0.000 0.987 14 D CA 1.023 54.786 54.000 -0.395 0.000 0.829 14 D CB -0.193 40.245 40.800 -0.603 0.000 0.961 14 D HN 0.152 nan 8.370 nan 0.000 0.460 15 I N 0.632 120.993 120.570 -0.348 0.000 2.315 15 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 15 I C 2.456 178.494 176.117 -0.131 0.000 1.117 15 I CA 1.186 62.333 61.300 -0.254 0.000 1.404 15 I CB -0.340 37.578 38.000 -0.138 0.000 1.071 15 I HN 0.021 nan 8.210 nan 0.000 0.419 16 G N 0.038 108.715 108.800 -0.205 0.000 2.408 16 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 16 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 16 G C 1.655 176.603 174.900 0.080 0.000 1.150 16 G CA 1.240 46.318 45.100 -0.036 0.000 0.776 16 G HN 0.266 nan 8.290 nan 0.000 0.542 17 T N 1.381 115.953 114.554 0.029 0.000 2.777 17 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 17 T C 2.436 177.131 174.700 -0.007 0.000 1.040 17 T CA 0.802 62.997 62.100 0.158 0.000 1.141 17 T CB -0.202 68.817 68.868 0.251 0.000 0.868 17 T HN 0.151 nan 8.240 nan 0.000 0.444 18 L N -0.481 120.611 121.223 -0.218 0.000 2.012 18 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 18 L C 2.406 179.004 176.870 -0.453 0.000 1.073 18 L CA 1.625 56.094 54.840 -0.617 0.000 0.748 18 L CB -0.647 40.529 42.059 -1.471 0.000 0.891 18 L HN 0.263 nan 8.230 nan 0.000 0.431 19 Y N -0.059 120.059 120.300 -0.304 0.000 2.181 19 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 19 Y C 2.439 178.460 175.900 0.202 0.000 1.146 19 Y CA 1.383 59.551 58.100 0.112 0.000 1.164 19 Y CB -0.369 38.161 38.460 0.118 0.000 0.982 19 Y HN 0.050 nan 8.280 nan 0.000 0.515 20 L N -0.952 120.425 121.223 0.257 0.000 2.046 20 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 20 L C 2.263 179.268 176.870 0.226 0.000 1.077 20 L CA 1.155 56.111 54.840 0.194 0.000 0.747 20 L CB -0.697 41.432 42.059 0.117 0.000 0.896 20 L HN 0.266 nan 8.230 nan 0.000 0.432 21 L N -1.321 120.022 121.223 0.199 0.000 2.017 21 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 21 L C 2.561 179.604 176.870 0.288 0.000 1.073 21 L CA 1.378 56.334 54.840 0.193 0.000 0.745 21 L CB -0.532 41.585 42.059 0.097 0.000 0.894 21 L HN 0.164 nan 8.230 nan 0.000 0.432 22 F N 0.789 120.870 119.950 0.217 0.000 2.095 22 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 22 F C 2.222 178.247 175.800 0.375 0.000 1.104 22 F CA 1.720 59.906 58.000 0.310 0.000 1.232 22 F CB -0.539 38.691 39.000 0.383 0.000 0.987 22 F HN -0.007 nan 8.300 nan 0.000 0.475 23 G N -0.482 108.619 108.800 0.501 0.000 2.432 23 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 23 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 23 G C 1.765 176.784 174.900 0.199 0.000 1.135 23 G CA 0.702 46.013 45.100 0.352 0.000 0.767 23 G HN 0.617 nan 8.290 nan 0.000 0.550 24 A N -0.022 122.906 122.820 0.181 0.000 1.873 24 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 24 A C 2.139 179.798 177.584 0.126 0.000 1.186 24 A CA 1.505 53.604 52.037 0.103 0.000 0.616 24 A CB -0.728 18.323 19.000 0.086 0.000 0.823 24 A HN 0.513 nan 8.150 nan 0.000 0.442 25 W N 0.567 121.861 121.300 -0.010 0.000 2.355 25 W HA -0.129 4.531 4.660 -0.000 0.000 0.309 25 W C 2.539 179.052 176.519 -0.011 0.000 1.206 25 W CA 2.342 59.666 57.345 -0.035 0.000 1.284 25 W CB -0.194 29.217 29.460 -0.081 0.000 1.145 25 W HN 0.359 nan 8.180 nan 0.000 0.502 26 A N 0.403 123.355 122.820 0.221 0.000 1.940 26 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 26 A C 2.203 179.835 177.584 0.080 0.000 1.176 26 A CA 2.039 54.206 52.037 0.216 0.000 0.631 26 A CB -1.703 17.376 19.000 0.131 0.000 0.814 26 A HN 0.420 nan 8.150 nan 0.000 0.446 27 G N -0.945 107.886 108.800 0.053 0.000 2.442 27 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 27 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 27 G C 1.455 176.341 174.900 -0.024 0.000 1.141 27 G CA 1.335 46.453 45.100 0.029 0.000 0.763 27 G HN 0.355 nan 8.290 nan 0.000 0.554 28 M N 0.448 119.979 119.600 -0.114 0.000 2.132 28 M HA 0.010 4.490 4.480 -0.000 0.000 0.263 28 M C 2.787 178.972 176.300 -0.193 0.000 1.065 28 M CA 0.671 55.862 55.300 -0.182 0.000 1.122 28 M CB -1.270 31.144 32.600 -0.310 0.000 1.365 28 M HN 0.112 nan 8.290 nan 0.000 0.411 29 V N 0.382 120.142 119.914 -0.257 0.000 2.295 29 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 29 V C 2.640 178.749 176.094 0.025 0.000 1.049 29 V CA 2.129 64.338 62.300 -0.151 0.000 1.024 29 V CB -1.777 30.009 31.823 -0.063 0.000 0.648 29 V HN 0.567 nan 8.190 nan 0.000 0.447 30 G N -0.750 108.096 108.800 0.077 0.000 2.422 30 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 30 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 30 G C 1.676 176.690 174.900 0.190 0.000 1.140 30 G CA 1.450 46.643 45.100 0.156 0.000 0.775 30 G HN 0.482 nan 8.290 nan 0.000 0.545 31 T N 1.527 116.132 114.554 0.086 0.000 2.812 31 T HA 0.092 4.442 4.350 -0.000 0.000 0.264 31 T C 2.843 177.547 174.700 0.006 0.000 1.042 31 T CA 1.289 63.423 62.100 0.057 0.000 1.140 31 T CB -0.308 68.565 68.868 0.009 0.000 0.870 31 T HN 0.352 nan 8.240 nan 0.000 0.445 32 A N 1.441 124.248 122.820 -0.022 0.000 1.883 32 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 32 A C 2.285 179.861 177.584 -0.014 0.000 1.186 32 A CA 1.298 53.309 52.037 -0.043 0.000 0.624 32 A CB -0.930 18.033 19.000 -0.061 0.000 0.822 32 A HN 0.471 nan 8.150 nan 0.000 0.444 33 L N 0.430 121.673 121.223 0.034 0.000 2.083 33 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 33 L C 3.007 179.840 176.870 -0.061 0.000 1.083 33 L CA 1.638 56.503 54.840 0.041 0.000 0.752 33 L CB -0.484 41.664 42.059 0.147 0.000 0.899 33 L HN 0.625 nan 8.230 nan 0.000 0.433 34 S N -0.294 115.346 115.700 -0.100 0.000 2.423 34 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 34 S C 1.932 176.459 174.600 -0.121 0.000 1.014 34 S CA 0.714 58.745 58.200 -0.281 0.000 0.965 34 S CB -0.497 62.601 63.200 -0.170 0.000 0.785 34 S HN 0.367 nan 8.310 nan 0.000 0.495 35 L N 0.413 121.593 121.223 -0.071 0.000 2.109 35 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 35 L C 2.584 179.465 176.870 0.020 0.000 1.086 35 L CA 0.927 55.735 54.840 -0.053 0.000 0.760 35 L CB -0.499 41.478 42.059 -0.137 0.000 0.910 35 L HN 0.309 nan 8.230 nan 0.000 0.437 36 L N -0.486 120.743 121.223 0.011 0.000 2.083 36 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 36 L C 2.429 179.356 176.870 0.095 0.000 1.083 36 L CA 1.296 56.169 54.840 0.055 0.000 0.752 36 L CB -0.348 41.734 42.059 0.038 0.000 0.899 36 L HN 0.202 nan 8.230 nan 0.000 0.433 37 I N -0.691 119.902 120.570 0.040 0.000 2.142 37 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 37 I C 2.672 178.910 176.117 0.202 0.000 1.078 37 I CA 1.279 62.647 61.300 0.113 0.000 1.343 37 I CB -0.357 37.625 38.000 -0.031 0.000 1.046 37 I HN 0.218 nan 8.210 nan 0.000 0.405 38 R N 0.726 121.293 120.500 0.111 0.000 2.189 38 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 38 R C 2.240 178.632 176.300 0.153 0.000 1.092 38 R CA 1.197 57.368 56.100 0.118 0.000 0.989 38 R CB -0.424 29.916 30.300 0.066 0.000 0.876 38 R HN 0.391 nan 8.270 nan 0.000 0.457 39 A N 1.221 124.147 122.820 0.176 0.000 1.897 39 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 39 A C 2.081 179.748 177.584 0.137 0.000 1.181 39 A CA 1.429 53.568 52.037 0.171 0.000 0.620 39 A CB -0.272 18.834 19.000 0.176 0.000 0.821 39 A HN 0.204 nan 8.150 nan 0.000 0.443 40 E N 0.288 120.590 120.200 0.170 0.000 2.110 40 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 40 E C 1.500 178.172 176.600 0.120 0.000 0.988 40 E CA 1.271 57.763 56.400 0.153 0.000 0.804 40 E CB -0.328 29.532 29.700 0.266 0.000 0.745 40 E HN 0.589 nan 8.360 nan 0.000 0.458 41 L N -0.954 120.375 121.223 0.177 0.000 2.607 41 L HA 0.301 4.641 4.340 -0.000 0.000 0.228 41 L C 2.077 179.081 176.870 0.224 0.000 1.123 41 L CA 0.291 55.278 54.840 0.245 0.000 0.890 41 L CB 0.063 42.252 42.059 0.217 0.000 1.103 41 L HN 0.203 nan 8.230 nan 0.000 0.468 42 G N 0.663 109.541 108.800 0.130 0.000 2.470 42 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.220 42 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.220 42 G C 0.575 175.523 174.900 0.079 0.000 1.121 42 G CA 0.432 45.576 45.100 0.073 0.000 0.766 42 G HN 0.541 nan 8.290 nan 0.000 0.553 43 Q N -1.046 118.816 119.800 0.103 0.000 2.435 43 Q HA 0.525 4.865 4.340 -0.000 0.000 0.282 43 Q C -3.318 172.697 176.000 0.025 0.000 1.020 43 Q CA -2.143 53.708 55.803 0.080 0.000 0.820 43 Q CB 1.688 30.434 28.738 0.014 0.000 1.436 43 Q HN -0.121 nan 8.270 nan 0.000 0.395 44 P HA 0.377 nan 4.420 nan 0.000 0.267 44 P C -0.023 177.157 177.300 -0.200 0.000 1.200 44 P CA 1.447 64.395 63.100 -0.254 0.000 0.772 44 P CB 0.582 32.201 31.700 -0.135 0.000 0.855 45 G N 0.837 109.479 108.800 -0.264 0.000 2.422 45 G HA2 0.004 3.964 3.960 -0.000 0.000 0.607 45 G HA3 0.004 3.964 3.960 -0.000 0.000 0.607 45 G C -1.161 173.647 174.900 -0.154 0.000 1.270 45 G CA -0.830 44.170 45.100 -0.167 0.000 0.992 45 G HN 0.535 nan 8.290 nan 0.000 0.499 46 T N 0.707 115.200 114.554 -0.100 0.000 2.797 46 T HA 0.535 4.885 4.350 -0.000 0.000 0.279 46 T C 1.104 175.783 174.700 -0.034 0.000 0.991 46 T CA 0.377 62.432 62.100 -0.074 0.000 0.979 46 T CB 1.662 70.492 68.868 -0.062 0.000 0.943 46 T HN 1.042 nan 8.240 nan 0.000 0.444 47 L N 3.972 125.190 121.223 -0.008 0.000 2.356 47 L HA 0.456 4.796 4.340 -0.000 0.000 0.193 47 L C 1.603 178.495 176.870 0.036 0.000 1.087 47 L CA 1.052 55.904 54.840 0.019 0.000 0.817 47 L CB -0.299 41.785 42.059 0.042 0.000 1.035 47 L HN 0.623 nan 8.230 nan 0.000 0.482 48 L N -0.827 120.432 121.223 0.059 0.000 2.168 48 L HA 0.461 4.801 4.340 -0.000 0.000 0.203 48 L C 1.186 178.092 176.870 0.059 0.000 1.078 48 L CA 0.505 55.388 54.840 0.072 0.000 0.780 48 L CB -0.448 41.678 42.059 0.111 0.000 0.939 48 L HN 0.490 nan 8.230 nan 0.000 0.451 49 G N -0.722 108.112 108.800 0.056 0.000 2.360 49 G HA2 0.104 4.064 3.960 -0.000 0.000 0.276 49 G HA3 0.104 4.064 3.960 -0.000 0.000 0.276 49 G C -1.863 173.058 174.900 0.035 0.000 1.256 49 G CA -0.092 45.033 45.100 0.042 0.000 0.890 49 G HN 0.134 nan 8.290 nan 0.000 0.486 50 D N -0.438 119.983 120.400 0.034 0.000 2.376 50 D HA 0.285 4.925 4.640 -0.000 0.000 0.268 50 D C 0.612 176.955 176.300 0.072 0.000 1.252 50 D CA -0.041 53.971 54.000 0.020 0.000 1.041 50 D CB 0.265 41.070 40.800 0.008 0.000 1.109 50 D HN 0.180 nan 8.370 nan 0.000 0.552 51 D N -1.450 118.987 120.400 0.061 0.000 2.309 51 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 51 D C 1.658 178.079 176.300 0.201 0.000 0.968 51 D CA 0.878 54.968 54.000 0.150 0.000 0.882 51 D CB -0.022 40.836 40.800 0.098 0.000 0.918 51 D HN 0.427 nan 8.370 nan 0.000 0.503 52 Q N 0.935 120.817 119.800 0.137 0.000 1.990 52 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 52 Q C 2.137 178.225 176.000 0.147 0.000 0.980 52 Q CA 0.938 56.821 55.803 0.133 0.000 0.832 52 Q CB -0.457 28.328 28.738 0.079 0.000 0.897 52 Q HN 0.343 nan 8.270 nan 0.000 0.427 53 I N -0.238 120.414 120.570 0.136 0.000 2.315 53 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 53 I C 1.952 178.159 176.117 0.149 0.000 1.117 53 I CA 1.218 62.595 61.300 0.128 0.000 1.404 53 I CB -0.145 37.921 38.000 0.110 0.000 1.071 53 I HN 0.441 nan 8.210 nan 0.000 0.419 54 Y N 1.994 122.341 120.300 0.079 0.000 2.114 54 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 54 Y C 2.296 178.259 175.900 0.106 0.000 1.143 54 Y CA 2.100 60.253 58.100 0.089 0.000 1.135 54 Y CB -0.308 38.205 38.460 0.088 0.000 0.980 54 Y HN 0.223 nan 8.280 nan 0.000 0.499 55 N N -0.172 118.585 118.700 0.096 0.000 2.459 55 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 55 N C 1.787 177.306 175.510 0.016 0.000 1.046 55 N CA 1.116 54.178 53.050 0.020 0.000 0.904 55 N CB -0.025 38.553 38.487 0.151 0.000 0.964 55 N HN 0.301 nan 8.380 nan 0.000 0.444 56 V N 0.523 120.473 119.914 0.059 0.000 2.427 56 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 56 V C 2.363 178.491 176.094 0.056 0.000 1.051 56 V CA 0.963 63.315 62.300 0.087 0.000 1.048 56 V CB -0.229 31.662 31.823 0.113 0.000 0.666 56 V HN 0.032 nan 8.190 nan 0.000 0.456 57 V N -0.379 119.531 119.914 -0.008 0.000 2.307 57 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 57 V C 2.420 178.489 176.094 -0.042 0.000 1.045 57 V CA 1.814 64.099 62.300 -0.025 0.000 1.024 57 V CB -0.307 31.467 31.823 -0.081 0.000 0.651 57 V HN 0.395 nan 8.190 nan 0.000 0.449 58 V N -0.052 119.761 119.914 -0.168 0.000 2.332 58 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 58 V C 2.579 178.681 176.094 0.013 0.000 1.055 58 V CA 2.683 64.926 62.300 -0.095 0.000 1.038 58 V CB -1.060 30.660 31.823 -0.171 0.000 0.651 58 V HN 0.612 nan 8.190 nan 0.000 0.450 59 T N 0.366 114.910 114.554 -0.017 0.000 2.708 59 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 59 T C 2.048 176.722 174.700 -0.044 0.000 1.037 59 T CA 1.686 63.739 62.100 -0.078 0.000 1.146 59 T CB -0.430 68.432 68.868 -0.010 0.000 0.865 59 T HN 0.576 nan 8.240 nan 0.000 0.435 60 A N 1.110 124.013 122.820 0.138 0.000 1.930 60 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 60 A C 1.985 179.696 177.584 0.211 0.000 1.175 60 A CA 2.173 54.368 52.037 0.263 0.000 0.627 60 A CB -0.946 18.209 19.000 0.259 0.000 0.815 60 A HN 0.698 nan 8.150 nan 0.000 0.443 61 H N 0.399 119.502 119.070 0.055 0.000 2.289 61 H HA -0.071 4.485 4.556 -0.000 0.000 0.296 61 H C 2.092 177.408 175.328 -0.021 0.000 1.091 61 H CA 2.379 58.448 56.048 0.035 0.000 1.274 61 H CB -0.407 29.368 29.762 0.021 0.000 1.364 61 H HN 0.361 nan 8.280 nan 0.000 0.490 62 A N 0.097 122.746 122.820 -0.286 0.000 1.858 62 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 62 A C 2.261 179.626 177.584 -0.365 0.000 1.190 62 A CA 1.560 53.271 52.037 -0.544 0.000 0.617 62 A CB -1.150 17.464 19.000 -0.642 0.000 0.827 62 A HN 0.453 nan 8.150 nan 0.000 0.443 63 F N 0.058 119.986 119.950 -0.037 0.000 2.126 63 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 63 F C 2.544 178.304 175.800 -0.067 0.000 1.096 63 F CA 1.185 59.237 58.000 0.086 0.000 1.255 63 F CB -1.031 38.036 39.000 0.113 0.000 0.997 63 F HN 0.024 nan 8.300 nan 0.000 0.479 64 V N -0.381 119.639 119.914 0.176 0.000 2.295 64 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 64 V C 2.520 178.616 176.094 0.003 0.000 1.049 64 V CA 1.542 63.930 62.300 0.147 0.000 1.024 64 V CB -0.554 31.406 31.823 0.228 0.000 0.648 64 V HN 0.213 nan 8.190 nan 0.000 0.447 65 M N -0.885 118.640 119.600 -0.126 0.000 2.117 65 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 65 M C 2.134 178.297 176.300 -0.230 0.000 1.065 65 M CA 1.964 57.154 55.300 -0.183 0.000 1.114 65 M CB -0.951 31.451 32.600 -0.330 0.000 1.361 65 M HN 0.291 nan 8.290 nan 0.000 0.408 66 I N -1.177 119.176 120.570 -0.362 0.000 2.188 66 I HA -0.240 3.930 4.170 -0.000 0.000 0.237 66 I C 2.059 177.870 176.117 -0.509 0.000 1.073 66 I CA 1.222 62.202 61.300 -0.533 0.000 1.359 66 I CB -0.382 37.101 38.000 -0.862 0.000 1.083 66 I HN 0.047 nan 8.210 nan 0.000 0.412 67 F N -0.390 119.383 119.950 -0.295 0.000 2.416 67 F HA -0.028 4.499 4.527 -0.000 0.000 0.296 67 F C 1.773 177.366 175.800 -0.344 0.000 1.099 67 F CA 0.932 58.686 58.000 -0.410 0.000 1.427 67 F CB -0.193 38.370 39.000 -0.729 0.000 1.079 67 F HN -0.043 nan 8.300 nan 0.000 0.536 68 F N -2.406 117.645 119.950 0.169 0.000 2.717 68 F HA 0.186 4.713 4.527 -0.000 0.000 0.297 68 F C 1.934 177.852 175.800 0.198 0.000 1.113 68 F CA 0.067 58.180 58.000 0.188 0.000 1.319 68 F CB -0.290 38.543 39.000 -0.277 0.000 1.097 68 F HN -0.102 nan 8.300 nan 0.000 0.595 69 M N -0.483 119.251 119.600 0.222 0.000 2.969 69 M HA 0.102 4.582 4.480 -0.000 0.000 0.234 69 M C 2.036 178.424 176.300 0.146 0.000 1.409 69 M CA 1.144 56.549 55.300 0.175 0.000 1.314 69 M CB -0.489 32.166 32.600 0.092 0.000 1.130 69 M HN -0.085 nan 8.290 nan 0.000 0.558 70 V N 1.702 121.643 119.914 0.045 0.000 2.237 70 V HA -0.314 3.806 4.120 -0.000 0.000 0.245 70 V C 2.575 178.702 176.094 0.055 0.000 1.046 70 V CA 2.123 64.439 62.300 0.026 0.000 1.007 70 V CB -0.805 30.973 31.823 -0.075 0.000 0.638 70 V HN 0.494 nan 8.190 nan 0.000 0.445 71 M N -0.503 119.107 119.600 0.016 0.000 2.086 71 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 71 M C -0.028 176.345 176.300 0.122 0.000 1.067 71 M CA 2.295 57.619 55.300 0.039 0.000 1.116 71 M CB -1.560 31.044 32.600 0.008 0.000 1.348 71 M HN 0.279 nan 8.290 nan 0.000 0.407 72 P HA -0.099 nan 4.420 nan 0.000 0.217 72 P C 1.392 178.857 177.300 0.275 0.000 1.150 72 P CA 1.285 64.608 63.100 0.372 0.000 0.832 72 P CB -0.093 32.011 31.700 0.674 0.000 0.787 73 I N -2.051 118.686 120.570 0.278 0.000 2.163 73 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 73 I C 2.433 178.742 176.117 0.320 0.000 1.081 73 I CA 1.599 63.058 61.300 0.265 0.000 1.353 73 I CB -0.466 37.704 38.000 0.284 0.000 1.054 73 I HN -0.083 nan 8.210 nan 0.000 0.407 74 M N 0.128 119.909 119.600 0.302 0.000 2.077 74 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 74 M C 2.304 178.736 176.300 0.220 0.000 1.070 74 M CA 2.125 57.622 55.300 0.328 0.000 1.125 74 M CB -0.230 32.472 32.600 0.170 0.000 1.339 74 M HN 0.160 nan 8.290 nan 0.000 0.409 75 I N -1.101 119.491 120.570 0.037 0.000 2.270 75 I HA -0.043 4.127 4.170 -0.000 0.000 0.239 75 I C 2.585 178.613 176.117 -0.148 0.000 1.080 75 I CA 1.199 62.420 61.300 -0.132 0.000 1.383 75 I CB -0.903 37.010 38.000 -0.145 0.000 1.097 75 I HN 0.309 nan 8.210 nan 0.000 0.420 76 G N 0.353 108.941 108.800 -0.354 0.000 2.403 76 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.216 76 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.216 76 G C 1.570 176.189 174.900 -0.469 0.000 1.154 76 G CA 0.836 45.300 45.100 -1.060 0.000 0.784 76 G HN 0.486 nan 8.290 nan 0.000 0.538 77 G N 0.442 109.177 108.800 -0.109 0.000 2.624 77 G HA2 0.068 4.028 3.960 -0.000 0.000 0.216 77 G HA3 0.068 4.028 3.960 -0.000 0.000 0.216 77 G C 1.502 176.390 174.900 -0.018 0.000 1.274 77 G CA 0.414 45.510 45.100 -0.006 0.000 0.856 77 G HN 0.277 nan 8.290 nan 0.000 0.555 78 F N 1.832 121.858 119.950 0.127 0.000 2.171 78 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 78 F C 2.939 178.864 175.800 0.209 0.000 1.090 78 F CA 0.957 59.013 58.000 0.092 0.000 1.293 78 F CB -0.401 38.602 39.000 0.005 0.000 1.013 78 F HN 0.233 nan 8.300 nan 0.000 0.486 79 G N 0.089 109.115 108.800 0.378 0.000 2.459 79 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 79 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 79 G C 1.659 176.826 174.900 0.445 0.000 1.183 79 G CA 1.056 46.286 45.100 0.218 0.000 0.776 79 G HN 0.242 nan 8.290 nan 0.000 0.552 80 N N -0.182 118.770 118.700 0.420 0.000 2.120 80 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 80 N C 1.941 177.592 175.510 0.235 0.000 1.024 80 N CA 0.944 54.152 53.050 0.264 0.000 0.852 80 N CB -0.273 38.273 38.487 0.098 0.000 1.003 80 N HN 0.569 nan 8.380 nan 0.000 0.424 81 W N 1.435 122.743 121.300 0.014 0.000 2.378 81 W HA 0.020 4.680 4.660 -0.000 0.000 0.313 81 W C 2.159 178.714 176.519 0.060 0.000 1.197 81 W CA 0.619 57.908 57.345 -0.092 0.000 1.304 81 W CB -0.267 28.843 29.460 -0.584 0.000 1.148 81 W HN -0.004 nan 8.180 nan 0.000 0.494 82 L N -1.379 120.038 121.223 0.323 0.000 2.202 82 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 82 L C 2.076 179.066 176.870 0.199 0.000 1.083 82 L CA 0.231 55.180 54.840 0.182 0.000 0.790 82 L CB -1.233 40.769 42.059 -0.096 0.000 0.942 82 L HN -0.194 nan 8.230 nan 0.000 0.452 83 V N 0.804 120.858 119.914 0.234 0.000 2.255 83 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 83 V C -0.134 175.961 176.094 0.001 0.000 1.051 83 V CA 2.229 64.610 62.300 0.135 0.000 1.018 83 V CB -1.536 30.395 31.823 0.181 0.000 0.641 83 V HN 0.326 nan 8.190 nan 0.000 0.445 84 P HA -0.103 nan 4.420 nan 0.000 0.217 84 P C 1.906 179.098 177.300 -0.180 0.000 1.150 84 P CA 1.332 64.254 63.100 -0.296 0.000 0.832 84 P CB -0.058 31.175 31.700 -0.779 0.000 0.787 85 L N -1.906 119.323 121.223 0.010 0.000 2.093 85 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 85 L C 2.425 179.354 176.870 0.100 0.000 1.085 85 L CA 1.481 56.445 54.840 0.207 0.000 0.755 85 L CB -0.861 41.391 42.059 0.321 0.000 0.904 85 L HN -0.012 nan 8.230 nan 0.000 0.435 86 M N -0.127 119.528 119.600 0.091 0.000 2.476 86 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 86 M C 1.762 178.071 176.300 0.014 0.000 1.079 86 M CA 1.376 56.748 55.300 0.120 0.000 1.104 86 M CB -0.046 32.678 32.600 0.208 0.000 1.409 86 M HN 0.359 nan 8.290 nan 0.000 0.467 87 I N -4.292 116.212 120.570 -0.111 0.000 4.025 87 I HA 0.475 4.645 4.170 -0.000 0.000 0.336 87 I C 0.886 176.793 176.117 -0.350 0.000 1.390 87 I CA -0.018 61.178 61.300 -0.172 0.000 1.099 87 I CB -0.093 37.816 38.000 -0.152 0.000 1.049 87 I HN 0.299 nan 8.210 nan 0.000 0.394 88 G N 2.045 110.457 108.800 -0.647 0.000 2.198 88 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 88 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 88 G C 0.331 174.650 174.900 -0.969 0.000 1.025 88 G CA 0.210 44.457 45.100 -1.423 0.000 0.769 88 G HN 0.945 nan 8.290 nan 0.000 0.507 89 A N 0.261 122.750 122.820 -0.551 0.000 2.316 89 A HA 0.811 5.131 4.320 -0.000 0.000 0.284 89 A C -0.051 177.462 177.584 -0.119 0.000 1.115 89 A CA -0.789 51.080 52.037 -0.279 0.000 0.812 89 A CB 1.001 19.849 19.000 -0.253 0.000 1.064 89 A HN 0.133 nan 8.150 nan 0.000 0.489 90 P HA -0.008 nan 4.420 nan 0.000 0.225 90 P C 0.071 177.380 177.300 0.015 0.000 1.156 90 P CA 1.108 64.250 63.100 0.071 0.000 0.787 90 P CB 0.396 32.123 31.700 0.046 0.000 0.802 91 D N -2.771 117.557 120.400 -0.121 0.000 3.024 91 D HA 0.116 4.756 4.640 -0.000 0.000 0.354 91 D C -0.671 175.472 176.300 -0.261 0.000 1.431 91 D CA -0.489 53.405 54.000 -0.177 0.000 0.842 91 D CB 0.366 41.139 40.800 -0.045 0.000 1.437 91 D HN -0.326 nan 8.370 nan 0.000 0.507 92 M N 1.071 120.523 119.600 -0.246 0.000 2.227 92 M HA 0.353 4.833 4.480 -0.000 0.000 0.316 92 M C 1.310 177.413 176.300 -0.329 0.000 1.144 92 M CA 0.024 55.141 55.300 -0.305 0.000 1.121 92 M CB 0.526 32.940 32.600 -0.311 0.000 1.440 92 M HN 0.614 nan 8.290 nan 0.000 0.473 93 A N 1.570 124.096 122.820 -0.490 0.000 1.908 93 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 93 A C 0.494 177.605 177.584 -0.787 0.000 1.181 93 A CA 1.641 53.224 52.037 -0.758 0.000 0.627 93 A CB -0.300 17.986 19.000 -1.189 0.000 0.818 93 A HN 0.593 nan 8.150 nan 0.000 0.445 94 F N -0.357 119.531 119.950 -0.104 0.000 2.449 94 F HA 0.338 4.865 4.527 -0.000 0.000 0.344 94 F C -1.744 174.007 175.800 -0.081 0.000 1.180 94 F CA -2.918 55.035 58.000 -0.079 0.000 1.209 94 F CB 0.938 39.897 39.000 -0.070 0.000 1.440 94 F HN 0.080 nan 8.300 nan 0.000 0.526 95 P HA -0.198 nan 4.420 nan 0.000 0.219 95 P C 1.673 178.990 177.300 0.030 0.000 1.146 95 P CA 1.348 64.446 63.100 -0.004 0.000 0.808 95 P CB 0.467 32.154 31.700 -0.023 0.000 0.779 96 R N -0.631 119.904 120.500 0.058 0.000 2.080 96 R HA 0.122 4.462 4.340 -0.000 0.000 0.222 96 R C 2.562 178.901 176.300 0.065 0.000 1.107 96 R CA 0.698 56.829 56.100 0.052 0.000 0.980 96 R CB -0.657 29.662 30.300 0.032 0.000 0.879 96 R HN 0.019 nan 8.270 nan 0.000 0.439 97 M N 1.020 120.666 119.600 0.077 0.000 2.213 97 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 97 M C 1.611 177.961 176.300 0.084 0.000 1.062 97 M CA 1.659 56.998 55.300 0.064 0.000 1.105 97 M CB -0.155 32.474 32.600 0.049 0.000 1.385 97 M HN 0.133 nan 8.290 nan 0.000 0.417 98 N N 0.936 119.683 118.700 0.079 0.000 2.149 98 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 98 N C 1.316 176.897 175.510 0.119 0.000 1.019 98 N CA 1.754 54.844 53.050 0.065 0.000 0.857 98 N CB -0.426 38.056 38.487 -0.008 0.000 0.997 98 N HN 0.389 nan 8.380 nan 0.000 0.426 99 N N -0.146 118.623 118.700 0.116 0.000 2.309 99 N HA -0.064 4.676 4.740 -0.000 0.000 0.182 99 N C 1.663 177.316 175.510 0.237 0.000 1.018 99 N CA 0.744 53.901 53.050 0.178 0.000 0.876 99 N CB -0.183 38.434 38.487 0.216 0.000 0.972 99 N HN 0.376 nan 8.380 nan 0.000 0.434 100 M N -0.746 118.958 119.600 0.174 0.000 2.254 100 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 100 M C 1.662 178.022 176.300 0.101 0.000 1.066 100 M CA 0.936 56.329 55.300 0.155 0.000 1.123 100 M CB 0.048 32.703 32.600 0.092 0.000 1.388 100 M HN 0.017 nan 8.290 nan 0.000 0.425 101 S N 0.426 116.193 115.700 0.113 0.000 2.383 101 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 101 S C 1.457 176.082 174.600 0.041 0.000 1.030 101 S CA 1.476 59.755 58.200 0.132 0.000 1.002 101 S CB -0.512 62.828 63.200 0.232 0.000 0.829 101 S HN 0.619 nan 8.310 nan 0.000 0.467 102 F N 0.806 120.643 119.950 -0.188 0.000 2.098 102 F HA -0.012 4.515 4.527 -0.000 0.000 0.294 102 F C 1.668 177.094 175.800 -0.623 0.000 1.107 102 F CA 1.003 58.554 58.000 -0.749 0.000 1.234 102 F CB -0.711 37.628 39.000 -1.101 0.000 1.002 102 F HN 0.210 nan 8.300 nan 0.000 0.472 103 W N 0.621 121.667 121.300 -0.423 0.000 2.538 103 W HA -0.096 4.564 4.660 -0.000 0.000 0.254 103 W C 1.944 178.250 176.519 -0.356 0.000 1.249 103 W CA 0.392 57.496 57.345 -0.401 0.000 1.253 103 W CB -0.369 29.043 29.460 -0.080 0.000 1.130 103 W HN 0.084 nan 8.180 nan 0.000 0.618 104 L N -0.455 120.677 121.223 -0.151 0.000 2.418 104 L HA -0.102 4.238 4.340 -0.000 0.000 0.218 104 L C 2.095 178.874 176.870 -0.151 0.000 1.125 104 L CA 0.471 55.262 54.840 -0.082 0.000 0.835 104 L CB -0.393 41.652 42.059 -0.024 0.000 0.953 104 L HN 0.071 nan 8.230 nan 0.000 0.454 105 L N -0.153 120.819 121.223 -0.419 0.000 2.027 105 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 105 L C -0.188 176.518 176.870 -0.274 0.000 1.074 105 L CA 1.270 55.834 54.840 -0.460 0.000 0.745 105 L CB -1.755 39.662 42.059 -1.070 0.000 0.898 105 L HN 0.191 nan 8.230 nan 0.000 0.433 106 P HA -0.105 nan 4.420 nan 0.000 0.215 106 P C -1.342 176.004 177.300 0.076 0.000 1.153 106 P CA 1.558 64.700 63.100 0.070 0.000 0.853 106 P CB -0.892 30.857 31.700 0.081 0.000 0.788 107 P HA -0.141 nan 4.420 nan 0.000 0.216 107 P C 1.933 179.283 177.300 0.083 0.000 1.153 107 P CA 1.706 64.836 63.100 0.049 0.000 0.848 107 P CB -0.458 31.260 31.700 0.031 0.000 0.787 108 S N -1.698 114.061 115.700 0.098 0.000 2.370 108 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 108 S C 1.812 176.537 174.600 0.207 0.000 1.033 108 S CA 1.145 59.455 58.200 0.183 0.000 1.011 108 S CB -1.135 62.233 63.200 0.280 0.000 0.852 108 S HN 0.060 nan 8.310 nan 0.000 0.457 109 F N 0.707 120.525 119.950 -0.221 0.000 2.186 109 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 109 F C 2.032 177.768 175.800 -0.108 0.000 1.090 109 F CA 0.809 58.515 58.000 -0.489 0.000 1.307 109 F CB -0.082 38.581 39.000 -0.561 0.000 1.019 109 F HN 0.301 nan 8.300 nan 0.000 0.489 110 L N 0.712 122.030 121.223 0.157 0.000 2.083 110 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 110 L C 1.892 178.835 176.870 0.122 0.000 1.083 110 L CA 1.701 56.589 54.840 0.079 0.000 0.752 110 L CB -0.728 41.353 42.059 0.036 0.000 0.899 110 L HN 0.139 nan 8.230 nan 0.000 0.433 111 L N -1.214 120.095 121.223 0.144 0.000 2.093 111 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 111 L C 2.496 179.469 176.870 0.172 0.000 1.085 111 L CA 1.303 56.231 54.840 0.147 0.000 0.755 111 L CB -0.544 41.607 42.059 0.153 0.000 0.904 111 L HN 0.379 nan 8.230 nan 0.000 0.435 112 L N -0.387 120.979 121.223 0.239 0.000 2.056 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 112 L C 2.434 179.466 176.870 0.270 0.000 1.078 112 L CA 1.332 56.338 54.840 0.277 0.000 0.749 112 L CB -0.044 42.286 42.059 0.451 0.000 0.901 112 L HN 0.168 nan 8.230 nan 0.000 0.433 113 L N -0.245 121.137 121.223 0.265 0.000 2.093 113 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 113 L C 2.843 179.794 176.870 0.135 0.000 1.085 113 L CA 1.008 55.958 54.840 0.183 0.000 0.755 113 L CB -0.797 41.322 42.059 0.099 0.000 0.904 113 L HN 0.361 nan 8.230 nan 0.000 0.435 114 A N 0.003 122.896 122.820 0.122 0.000 1.902 114 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 114 A C 2.547 180.197 177.584 0.109 0.000 1.181 114 A CA 2.005 54.102 52.037 0.100 0.000 0.623 114 A CB -0.780 18.275 19.000 0.092 0.000 0.818 114 A HN 0.493 nan 8.150 nan 0.000 0.443 115 S N 0.518 116.293 115.700 0.125 0.000 2.400 115 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 115 S C 1.982 176.658 174.600 0.126 0.000 1.025 115 S CA 2.002 60.275 58.200 0.121 0.000 0.993 115 S CB -0.704 62.567 63.200 0.118 0.000 0.808 115 S HN 0.952 nan 8.310 nan 0.000 0.478 116 S N 0.113 115.895 115.700 0.136 0.000 2.528 116 S HA 0.239 4.709 4.470 -0.000 0.000 0.219 116 S C 1.804 176.466 174.600 0.104 0.000 0.985 116 S CA 0.125 58.403 58.200 0.129 0.000 0.914 116 S CB -0.249 63.038 63.200 0.145 0.000 0.776 116 S HN 0.377 nan 8.310 nan 0.000 0.526 117 M N 2.160 121.817 119.600 0.094 0.000 2.248 117 M HA 0.237 4.717 4.480 -0.000 0.000 0.265 117 M C 1.144 177.486 176.300 0.069 0.000 1.079 117 M CA 0.557 55.902 55.300 0.075 0.000 1.150 117 M CB -0.851 31.789 32.600 0.067 0.000 1.366 117 M HN 0.408 nan 8.290 nan 0.000 0.433 118 V N -0.440 119.518 119.914 0.075 0.000 2.834 118 V HA 0.282 4.402 4.120 -0.000 0.000 0.301 118 V C 0.850 176.987 176.094 0.071 0.000 1.066 118 V CA -0.994 61.347 62.300 0.068 0.000 1.052 118 V CB 0.787 32.652 31.823 0.071 0.000 1.021 118 V HN 0.583 nan 8.190 nan 0.000 0.480 119 E N 2.515 122.751 120.200 0.060 0.000 3.401 119 E HA -0.352 3.998 4.350 -0.000 0.000 0.352 119 E C 0.940 177.574 176.600 0.057 0.000 1.523 119 E CA 2.073 58.506 56.400 0.054 0.000 1.794 119 E CB -1.658 28.079 29.700 0.061 0.000 1.792 119 E HN 1.545 nan 8.360 nan 0.000 0.471 120 A N 1.597 124.452 122.820 0.060 0.000 2.500 120 A HA 0.513 4.833 4.320 -0.000 0.000 0.267 120 A C 0.895 178.541 177.584 0.104 0.000 1.290 120 A CA 1.439 53.513 52.037 0.062 0.000 0.928 120 A CB -0.116 18.900 19.000 0.026 0.000 1.066 120 A HN 1.372 nan 8.150 nan 0.000 0.516 121 G N -1.023 107.851 108.800 0.123 0.000 2.855 121 G HA2 0.290 4.250 3.960 -0.000 0.000 0.352 121 G HA3 0.290 4.250 3.960 -0.000 0.000 0.352 121 G C 0.105 175.134 174.900 0.215 0.000 1.415 121 G CA -0.302 44.889 45.100 0.151 0.000 0.871 121 G HN 1.759 nan 8.290 nan 0.000 0.543 122 A N 0.298 123.225 122.820 0.178 0.000 2.582 122 A HA 0.735 5.055 4.320 -0.000 0.000 0.336 122 A C 0.820 178.459 177.584 0.091 0.000 1.445 122 A CA 0.797 52.896 52.037 0.104 0.000 0.997 122 A CB 0.330 19.358 19.000 0.047 0.000 1.148 122 A HN 2.294 nan 8.150 nan 0.000 0.514 123 G N 1.550 110.480 108.800 0.217 0.000 3.515 123 G HA2 0.381 4.341 3.960 -0.000 0.000 0.288 123 G HA3 0.381 4.341 3.960 -0.000 0.000 0.288 123 G C 0.685 175.616 174.900 0.052 0.000 1.012 123 G CA 0.490 45.687 45.100 0.162 0.000 1.689 123 G HN 0.790 nan 8.290 nan 0.000 0.572 124 T N -2.343 112.153 114.554 -0.097 0.000 2.975 124 T HA 0.507 4.857 4.350 -0.000 0.000 0.257 124 T C 1.108 175.716 174.700 -0.153 0.000 1.003 124 T CA 0.497 62.498 62.100 -0.166 0.000 0.932 124 T CB 0.660 69.356 68.868 -0.286 0.000 1.087 124 T HN 1.646 nan 8.240 nan 0.000 0.512 125 G N 1.643 110.373 108.800 -0.117 0.000 2.692 125 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G C 0.234 174.986 174.900 -0.247 0.000 1.243 125 G CA -0.251 44.759 45.100 -0.151 0.000 0.782 125 G HN 0.596 nan 8.290 nan 0.000 0.625 126 W N 0.746 121.737 121.300 -0.515 0.000 2.611 126 W HA -0.041 4.619 4.660 -0.000 0.000 0.251 126 W C 1.520 177.776 176.519 -0.439 0.000 1.265 126 W CA 2.045 58.898 57.345 -0.821 0.000 1.295 126 W CB -1.483 27.424 29.460 -0.921 0.000 1.129 126 W HN 1.082 nan 8.180 nan 0.000 0.630 127 T N -1.033 112.826 114.554 -1.157 0.000 3.055 127 T HA 0.037 4.387 4.350 -0.000 0.000 0.265 127 T C 1.198 175.319 174.700 -0.964 0.000 1.111 127 T CA 0.815 61.874 62.100 -1.736 0.000 1.118 127 T CB -0.822 67.059 68.868 -1.644 0.000 0.909 127 T HN 0.149 nan 8.240 nan 0.000 0.501 128 V N 0.686 120.289 119.914 -0.518 0.000 5.175 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.279 128 V C 0.232 176.089 176.094 -0.394 0.000 0.571 128 V CA 0.393 62.505 62.300 -0.313 0.000 0.694 128 V CB -2.941 28.790 31.823 -0.153 0.000 0.525 128 V HN 0.710 nan 8.190 nan 0.000 1.093 129 Y N 1.825 121.843 120.300 -0.470 0.000 2.511 129 Y HA 0.257 4.807 4.550 -0.000 0.000 0.332 129 Y C -0.868 174.760 175.900 -0.454 0.000 1.177 129 Y CA -1.740 56.056 58.100 -0.506 0.000 1.422 129 Y CB 0.945 39.272 38.460 -0.221 0.000 1.271 129 Y HN 0.273 nan 8.280 nan 0.000 0.550 130 P HA 0.194 nan 4.420 nan 0.000 0.281 130 P C -2.469 174.788 177.300 -0.072 0.000 1.264 130 P CA -2.054 60.917 63.100 -0.215 0.000 0.824 130 P CB 1.458 33.011 31.700 -0.245 0.000 1.092 131 P HA 0.039 nan 4.420 nan 0.000 0.236 131 P C 1.560 178.884 177.300 0.040 0.000 1.177 131 P CA 0.103 63.220 63.100 0.028 0.000 0.773 131 P CB -0.085 31.647 31.700 0.053 0.000 0.878 132 L N 0.573 121.826 121.223 0.049 0.000 2.081 132 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 132 L C 1.958 178.895 176.870 0.112 0.000 1.080 132 L CA 2.102 57.005 54.840 0.106 0.000 0.754 132 L CB -1.312 40.807 42.059 0.100 0.000 0.893 132 L HN -0.057 nan 8.230 nan 0.000 0.433 133 A N -0.886 121.902 122.820 -0.054 0.000 2.238 133 A HA 0.385 4.705 4.320 -0.000 0.000 0.208 133 A C 1.385 178.942 177.584 -0.046 0.000 1.177 133 A CA 0.390 52.340 52.037 -0.146 0.000 0.804 133 A CB -1.317 17.526 19.000 -0.262 0.000 0.823 133 A HN 0.485 nan 8.150 nan 0.000 0.482 134 G N 0.026 108.834 108.800 0.014 0.000 2.653 134 G HA2 0.253 4.213 3.960 -0.000 0.000 0.265 134 G HA3 0.253 4.213 3.960 -0.000 0.000 0.265 134 G C 0.605 175.547 174.900 0.070 0.000 1.237 134 G CA 0.144 45.269 45.100 0.041 0.000 0.946 134 G HN 0.471 nan 8.290 nan 0.000 0.522 135 N N -0.910 117.825 118.700 0.059 0.000 2.571 135 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 135 N C 1.487 177.027 175.510 0.051 0.000 1.154 135 N CA 0.581 53.665 53.050 0.056 0.000 0.907 135 N CB 0.082 38.597 38.487 0.046 0.000 0.977 135 N HN 0.311 nan 8.380 nan 0.000 0.449 136 L N -0.625 120.628 121.223 0.050 0.000 2.349 136 L HA 0.485 4.825 4.340 -0.000 0.000 0.200 136 L C 2.015 178.905 176.870 0.032 0.000 1.064 136 L CA 0.956 55.818 54.840 0.037 0.000 0.821 136 L CB -0.721 41.359 42.059 0.035 0.000 1.027 136 L HN 0.116 nan 8.230 nan 0.000 0.476 137 A N -2.024 120.828 122.820 0.053 0.000 2.123 137 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 137 A C 0.269 177.853 177.584 0.000 0.000 1.152 137 A CA 0.686 52.750 52.037 0.044 0.000 0.728 137 A CB -0.626 18.428 19.000 0.090 0.000 0.814 137 A HN 0.625 nan 8.150 nan 0.000 0.464 138 H N -1.007 118.073 119.070 0.016 0.000 2.597 138 H HA 0.521 5.077 4.556 -0.000 0.000 0.225 138 H C 0.064 175.402 175.328 0.017 0.000 1.422 138 H CA -0.092 55.966 56.048 0.016 0.000 1.335 138 H CB 0.421 30.188 29.762 0.009 0.000 1.783 138 H HN 0.405 nan 8.280 nan 0.000 0.513 139 A N 1.013 123.864 122.820 0.052 0.000 2.445 139 A HA 0.601 4.921 4.320 -0.000 0.000 0.242 139 A C 1.003 178.620 177.584 0.054 0.000 1.075 139 A CA 0.753 52.819 52.037 0.048 0.000 0.777 139 A CB -0.134 18.880 19.000 0.023 0.000 1.013 139 A HN 0.889 nan 8.150 nan 0.000 0.493 140 G N -0.964 107.870 108.800 0.056 0.000 2.603 140 G HA2 0.367 4.327 3.960 -0.000 0.000 0.686 140 G HA3 0.367 4.327 3.960 -0.000 0.000 0.686 140 G C 0.633 175.576 174.900 0.072 0.000 1.286 140 G CA 0.099 45.235 45.100 0.060 0.000 0.871 140 G HN 1.978 nan 8.290 nan 0.000 0.568 141 A N -0.151 122.714 122.820 0.075 0.000 2.121 141 A HA 0.288 4.608 4.320 -0.000 0.000 0.218 141 A C 2.682 180.317 177.584 0.085 0.000 1.154 141 A CA 2.508 54.595 52.037 0.084 0.000 0.679 141 A CB -0.617 18.439 19.000 0.093 0.000 0.795 141 A HN 1.599 nan 8.150 nan 0.000 0.458 142 S N -0.160 115.597 115.700 0.094 0.000 2.377 142 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 142 S C 1.869 176.506 174.600 0.062 0.000 1.042 142 S CA 1.830 60.090 58.200 0.100 0.000 1.086 142 S CB -0.663 62.622 63.200 0.141 0.000 0.995 142 S HN 0.386 nan 8.310 nan 0.000 0.428 143 V N 2.518 122.455 119.914 0.039 0.000 2.490 143 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 143 V C 1.998 178.035 176.094 -0.095 0.000 1.061 143 V CA 1.735 64.010 62.300 -0.042 0.000 1.064 143 V CB -0.725 31.055 31.823 -0.072 0.000 0.670 143 V HN 0.425 nan 8.190 nan 0.000 0.461 144 D N 0.015 120.370 120.400 -0.075 0.000 2.144 144 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 144 D C 2.127 178.338 176.300 -0.149 0.000 0.978 144 D CA 1.078 54.965 54.000 -0.189 0.000 0.833 144 D CB -0.057 40.697 40.800 -0.075 0.000 0.961 144 D HN 0.360 nan 8.370 nan 0.000 0.470 145 L N 0.639 121.894 121.223 0.054 0.000 2.141 145 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 145 L C 2.524 179.430 176.870 0.061 0.000 1.094 145 L CA 0.937 55.874 54.840 0.161 0.000 0.763 145 L CB -0.426 41.721 42.059 0.148 0.000 0.908 145 L HN -0.020 nan 8.230 nan 0.000 0.437 146 T N 0.048 114.578 114.554 -0.040 0.000 2.777 146 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 146 T C 1.915 176.453 174.700 -0.270 0.000 1.040 146 T CA 1.282 63.293 62.100 -0.148 0.000 1.141 146 T CB -0.142 68.656 68.868 -0.116 0.000 0.868 146 T HN 0.177 nan 8.240 nan 0.000 0.444 147 I N 0.268 120.658 120.570 -0.300 0.000 2.226 147 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 147 I C 1.974 177.863 176.117 -0.380 0.000 1.100 147 I CA 1.312 62.353 61.300 -0.432 0.000 1.374 147 I CB -0.351 37.341 38.000 -0.514 0.000 1.057 147 I HN 0.161 nan 8.210 nan 0.000 0.413 148 F N 0.328 120.223 119.950 -0.092 0.000 2.171 148 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 148 F C 2.920 178.710 175.800 -0.018 0.000 1.090 148 F CA 1.410 59.427 58.000 0.028 0.000 1.293 148 F CB -1.180 37.854 39.000 0.057 0.000 1.013 148 F HN 0.018 nan 8.300 nan 0.000 0.486 149 S N 0.169 115.923 115.700 0.090 0.000 2.356 149 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 149 S C 2.185 176.720 174.600 -0.109 0.000 1.032 149 S CA 1.126 59.344 58.200 0.031 0.000 1.005 149 S CB -0.422 62.771 63.200 -0.011 0.000 0.867 149 S HN 0.336 nan 8.310 nan 0.000 0.449 150 L N 0.160 121.191 121.223 -0.321 0.000 2.083 150 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 150 L C 2.427 179.147 176.870 -0.249 0.000 1.083 150 L CA 1.626 56.179 54.840 -0.478 0.000 0.752 150 L CB -0.664 41.034 42.059 -0.603 0.000 0.899 150 L HN 0.471 nan 8.230 nan 0.000 0.433 151 H N -0.464 118.538 119.070 -0.114 0.000 2.321 151 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 151 H C 2.338 177.652 175.328 -0.023 0.000 1.087 151 H CA 1.207 57.230 56.048 -0.042 0.000 1.319 151 H CB 0.146 29.951 29.762 0.072 0.000 1.379 151 H HN 0.203 nan 8.280 nan 0.000 0.501 152 L N -0.137 121.169 121.223 0.140 0.000 2.056 152 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 152 L C 2.833 179.741 176.870 0.063 0.000 1.078 152 L CA 0.876 55.767 54.840 0.086 0.000 0.749 152 L CB -0.608 41.502 42.059 0.085 0.000 0.901 152 L HN 0.340 nan 8.230 nan 0.000 0.433 153 A N 0.500 123.345 122.820 0.040 0.000 1.972 153 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 153 A C 2.394 180.010 177.584 0.054 0.000 1.169 153 A CA 1.610 53.680 52.037 0.054 0.000 0.635 153 A CB -1.044 17.922 19.000 -0.056 0.000 0.810 153 A HN 0.442 nan 8.150 nan 0.000 0.446 154 G N -0.466 108.334 108.800 0.000 0.000 2.404 154 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 154 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 154 G C 1.506 176.438 174.900 0.054 0.000 1.174 154 G CA 1.223 46.333 45.100 0.016 0.000 0.780 154 G HN 0.304 nan 8.290 nan 0.000 0.537 155 V N 0.960 120.905 119.914 0.052 0.000 2.343 155 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 155 V C 3.053 179.185 176.094 0.062 0.000 1.051 155 V CA 2.225 64.552 62.300 0.045 0.000 1.036 155 V CB -0.469 31.370 31.823 0.027 0.000 0.654 155 V HN 0.504 nan 8.190 nan 0.000 0.451 156 S N -0.282 115.462 115.700 0.073 0.000 2.359 156 S HA -0.242 4.228 4.470 -0.000 0.000 0.224 156 S C 2.220 176.901 174.600 0.134 0.000 1.035 156 S CA 2.343 60.602 58.200 0.098 0.000 1.018 156 S CB -0.344 62.913 63.200 0.094 0.000 0.876 156 S HN 0.587 nan 8.310 nan 0.000 0.448 157 S N 0.800 116.584 115.700 0.139 0.000 2.383 157 S HA 0.109 4.579 4.470 -0.000 0.000 0.227 157 S C 1.742 176.425 174.600 0.139 0.000 1.026 157 S CA 1.188 59.480 58.200 0.154 0.000 0.981 157 S CB -0.388 62.910 63.200 0.164 0.000 0.818 157 S HN 0.533 nan 8.310 nan 0.000 0.472 158 I N 1.327 121.964 120.570 0.111 0.000 2.202 158 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 158 I C 1.942 178.115 176.117 0.094 0.000 1.091 158 I CA 1.062 62.421 61.300 0.098 0.000 1.368 158 I CB -0.289 37.753 38.000 0.070 0.000 1.058 158 I HN 0.237 nan 8.210 nan 0.000 0.410 159 L N 0.161 121.434 121.223 0.083 0.000 2.093 159 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 159 L C 2.646 179.578 176.870 0.104 0.000 1.085 159 L CA 1.416 56.300 54.840 0.072 0.000 0.755 159 L CB -1.177 40.914 42.059 0.053 0.000 0.904 159 L HN 0.328 nan 8.230 nan 0.000 0.435 160 G N -0.262 108.619 108.800 0.135 0.000 2.408 160 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 160 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 160 G C 1.789 176.834 174.900 0.242 0.000 1.150 160 G CA 0.785 45.986 45.100 0.168 0.000 0.776 160 G HN 0.452 nan 8.290 nan 0.000 0.542 161 A N 0.801 123.751 122.820 0.216 0.000 1.898 161 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 161 A C 2.383 180.074 177.584 0.179 0.000 1.181 161 A CA 1.180 53.344 52.037 0.213 0.000 0.620 161 A CB -0.345 18.747 19.000 0.154 0.000 0.819 161 A HN 0.361 nan 8.150 nan 0.000 0.442 162 I N -0.107 120.550 120.570 0.144 0.000 2.226 162 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 162 I C 2.463 178.695 176.117 0.193 0.000 1.100 162 I CA 1.384 62.773 61.300 0.149 0.000 1.374 162 I CB -0.399 37.670 38.000 0.115 0.000 1.057 162 I HN 0.346 nan 8.210 nan 0.000 0.413 163 N N 0.961 119.757 118.700 0.159 0.000 2.084 163 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 163 N C 1.880 177.297 175.510 -0.155 0.000 1.030 163 N CA 1.665 54.733 53.050 0.029 0.000 0.849 163 N CB -0.267 38.168 38.487 -0.086 0.000 1.012 163 N HN 0.226 nan 8.380 nan 0.000 0.423 164 F N 0.843 120.782 119.950 -0.018 0.000 2.113 164 F HA -0.018 4.508 4.527 -0.000 0.000 0.297 164 F C 2.287 178.034 175.800 -0.088 0.000 1.103 164 F CA 0.656 58.612 58.000 -0.073 0.000 1.248 164 F CB -0.172 38.784 39.000 -0.073 0.000 0.999 164 F HN 0.002 nan 8.300 nan 0.000 0.475 165 I N -0.565 120.086 120.570 0.133 0.000 2.179 165 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 165 I C 2.280 178.389 176.117 -0.013 0.000 1.088 165 I CA 1.577 62.905 61.300 0.046 0.000 1.357 165 I CB -0.838 37.197 38.000 0.059 0.000 1.051 165 I HN 0.097 nan 8.210 nan 0.000 0.409 166 T N -0.045 114.501 114.554 -0.013 0.000 2.708 166 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 166 T C 1.925 176.520 174.700 -0.175 0.000 1.037 166 T CA 2.104 64.156 62.100 -0.081 0.000 1.146 166 T CB -0.475 68.335 68.868 -0.097 0.000 0.865 166 T HN 0.372 nan 8.240 nan 0.000 0.435 167 T N 2.239 116.663 114.554 -0.217 0.000 2.684 167 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 167 T C 1.996 176.594 174.700 -0.169 0.000 1.036 167 T CA 1.090 63.051 62.100 -0.231 0.000 1.148 167 T CB -0.454 68.267 68.868 -0.244 0.000 0.863 167 T HN 0.339 nan 8.240 nan 0.000 0.436 168 I N 0.475 120.969 120.570 -0.127 0.000 2.315 168 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 168 I C 2.033 178.038 176.117 -0.186 0.000 1.117 168 I CA 0.795 62.002 61.300 -0.155 0.000 1.404 168 I CB -0.283 37.622 38.000 -0.157 0.000 1.071 168 I HN 0.188 nan 8.210 nan 0.000 0.419 169 I N 0.499 120.976 120.570 -0.156 0.000 2.333 169 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 169 I C 2.084 178.124 176.117 -0.129 0.000 1.106 169 I CA 1.512 62.725 61.300 -0.146 0.000 1.411 169 I CB -1.346 36.593 38.000 -0.102 0.000 1.082 169 I HN 0.261 nan 8.210 nan 0.000 0.420 170 N N 0.150 118.773 118.700 -0.128 0.000 2.356 170 N HA 0.076 4.816 4.740 -0.000 0.000 0.178 170 N C 1.107 176.538 175.510 -0.132 0.000 1.075 170 N CA 0.486 53.464 53.050 -0.120 0.000 0.889 170 N CB 0.210 38.625 38.487 -0.120 0.000 0.999 170 N HN 0.160 nan 8.380 nan 0.000 0.464 171 M N 0.063 119.570 119.600 -0.154 0.000 2.673 171 M HA 0.225 4.705 4.480 -0.000 0.000 0.334 171 M C -0.481 175.725 176.300 -0.158 0.000 1.211 171 M CA -0.191 55.015 55.300 -0.157 0.000 0.962 171 M CB 0.726 33.216 32.600 -0.184 0.000 1.343 171 M HN -0.165 nan 8.290 nan 0.000 0.511 172 K N 0.932 121.244 120.400 -0.147 0.000 2.090 172 K HA 0.486 4.806 4.320 -0.000 0.000 0.250 172 K C -2.443 174.083 176.600 -0.125 0.000 1.004 172 K CA -1.715 54.485 56.287 -0.144 0.000 0.919 172 K CB 0.169 32.587 32.500 -0.136 0.000 1.045 172 K HN -0.141 nan 8.250 nan 0.000 0.471 173 P HA 0.012 nan 4.420 nan 0.000 0.267 173 P C -2.111 175.136 177.300 -0.089 0.000 1.200 173 P CA -0.933 62.106 63.100 -0.101 0.000 0.772 173 P CB 0.147 31.790 31.700 -0.095 0.000 0.855 174 P HA -0.235 nan 4.420 nan 0.000 0.217 174 P C 0.977 178.236 177.300 -0.069 0.000 1.151 174 P CA 1.875 64.931 63.100 -0.074 0.000 0.849 174 P CB -0.208 31.449 31.700 -0.072 0.000 0.787 175 A N -1.673 121.099 122.820 -0.080 0.000 2.123 175 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 175 A C 1.305 178.862 177.584 -0.045 0.000 1.152 175 A CA 0.060 52.057 52.037 -0.066 0.000 0.728 175 A CB -0.903 18.043 19.000 -0.091 0.000 0.814 175 A HN 0.175 nan 8.150 nan 0.000 0.464 176 M N 2.292 121.861 119.600 -0.052 0.000 2.143 176 M HA 0.251 4.731 4.480 -0.000 0.000 0.348 176 M C 0.432 176.707 176.300 -0.041 0.000 1.375 176 M CA -0.217 55.060 55.300 -0.038 0.000 1.124 176 M CB 0.459 33.028 32.600 -0.051 0.000 1.669 176 M HN 0.428 nan 8.290 nan 0.000 0.469 177 S N 3.376 119.071 115.700 -0.009 0.000 2.655 177 S HA 0.163 4.633 4.470 -0.000 0.000 0.265 177 S C 0.633 175.184 174.600 -0.083 0.000 1.240 177 S CA -0.515 57.668 58.200 -0.029 0.000 0.986 177 S CB 1.304 64.536 63.200 0.053 0.000 0.985 177 S HN 0.822 nan 8.310 nan 0.000 0.562 178 Q N -0.516 119.141 119.800 -0.238 0.000 2.291 178 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 178 Q C 0.528 176.516 176.000 -0.020 0.000 0.976 178 Q CA 1.562 57.155 55.803 -0.349 0.000 0.875 178 Q CB -0.543 27.865 28.738 -0.550 0.000 0.927 178 Q HN 0.836 nan 8.270 nan 0.000 0.450 179 Y N -0.818 119.723 120.300 0.402 0.000 2.462 179 Y HA 0.172 4.722 4.550 -0.000 0.000 0.293 179 Y C 0.867 176.962 175.900 0.325 0.000 1.195 179 Y CA 0.242 58.666 58.100 0.540 0.000 1.276 179 Y CB 0.172 38.852 38.460 0.366 0.000 1.082 179 Y HN 0.115 nan 8.280 nan 0.000 0.514 180 Q N -0.507 119.467 119.800 0.290 0.000 2.149 180 Q HA 0.119 4.459 4.340 -0.000 0.000 0.221 180 Q C 0.308 176.392 176.000 0.139 0.000 0.807 180 Q CA -0.133 55.739 55.803 0.114 0.000 1.000 180 Q CB 0.832 29.605 28.738 0.057 0.000 1.157 180 Q HN 0.285 nan 8.270 nan 0.000 0.487 181 T N -2.022 112.686 114.554 0.257 0.000 2.907 181 T HA 0.589 4.939 4.350 -0.000 0.000 0.284 181 T C -2.561 172.409 174.700 0.450 0.000 1.004 181 T CA -2.228 59.993 62.100 0.200 0.000 1.063 181 T CB 1.458 70.295 68.868 -0.052 0.000 0.992 181 T HN -0.221 nan 8.240 nan 0.000 0.483 182 P HA 0.173 nan 4.420 nan 0.000 0.269 182 P C 1.071 178.787 177.300 0.693 0.000 1.215 182 P CA -0.462 62.972 63.100 0.556 0.000 0.780 182 P CB 0.426 32.481 31.700 0.592 0.000 0.898 183 L N 0.762 122.421 121.223 0.727 0.000 2.127 183 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 183 L C 2.126 179.360 176.870 0.607 0.000 1.089 183 L CA 1.427 56.637 54.840 0.616 0.000 0.757 183 L CB -0.627 41.710 42.059 0.463 0.000 0.899 183 L HN 0.388 nan 8.230 nan 0.000 0.434 184 F N 0.265 120.530 119.950 0.525 0.000 2.186 184 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 184 F C 2.201 178.075 175.800 0.123 0.000 1.090 184 F CA 1.259 59.352 58.000 0.155 0.000 1.307 184 F CB -0.275 38.566 39.000 -0.264 0.000 1.019 184 F HN -0.253 nan 8.300 nan 0.000 0.489 185 V N -0.977 118.998 119.914 0.101 0.000 2.343 185 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 185 V C 2.116 178.142 176.094 -0.113 0.000 1.051 185 V CA 2.012 64.249 62.300 -0.105 0.000 1.036 185 V CB -1.077 30.736 31.823 -0.017 0.000 0.654 185 V HN 0.496 nan 8.190 nan 0.000 0.451 186 W N 0.861 122.160 121.300 -0.001 0.000 2.358 186 W HA -0.234 4.426 4.660 -0.000 0.000 0.303 186 W C 3.034 179.520 176.519 -0.056 0.000 1.208 186 W CA 1.960 59.301 57.345 -0.005 0.000 1.274 186 W CB -0.392 29.091 29.460 0.039 0.000 1.138 186 W HN 0.371 nan 8.180 nan 0.000 0.515 187 S N -0.473 115.331 115.700 0.175 0.000 2.382 187 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 187 S C 1.694 176.214 174.600 -0.133 0.000 1.027 187 S CA 1.608 59.843 58.200 0.058 0.000 0.991 187 S CB -1.018 62.243 63.200 0.101 0.000 0.823 187 S HN 0.062 nan 8.310 nan 0.000 0.469 188 V N 1.904 121.593 119.914 -0.375 0.000 2.379 188 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 188 V C 2.620 178.549 176.094 -0.276 0.000 1.044 188 V CA 2.084 64.088 62.300 -0.494 0.000 1.036 188 V CB -0.751 30.583 31.823 -0.815 0.000 0.664 188 V HN 0.595 nan 8.190 nan 0.000 0.453 189 M N -0.302 119.199 119.600 -0.165 0.000 2.086 189 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 189 M C 2.081 178.393 176.300 0.020 0.000 1.067 189 M CA 2.109 57.369 55.300 -0.067 0.000 1.116 189 M CB -0.243 32.294 32.600 -0.104 0.000 1.348 189 M HN 0.238 nan 8.290 nan 0.000 0.407 190 I N -0.484 120.134 120.570 0.081 0.000 2.226 190 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 190 I C 2.162 178.329 176.117 0.084 0.000 1.100 190 I CA 1.564 62.940 61.300 0.126 0.000 1.374 190 I CB -0.796 37.308 38.000 0.173 0.000 1.057 190 I HN 0.349 nan 8.210 nan 0.000 0.413 191 T N 0.784 115.349 114.554 0.019 0.000 2.746 191 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 191 T C 2.059 176.769 174.700 0.017 0.000 1.039 191 T CA 1.532 63.628 62.100 -0.007 0.000 1.142 191 T CB -0.303 68.511 68.868 -0.090 0.000 0.866 191 T HN 0.493 nan 8.240 nan 0.000 0.444 192 A N 0.815 123.635 122.820 0.001 0.000 1.933 192 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 192 A C 2.564 180.209 177.584 0.100 0.000 1.175 192 A CA 1.303 53.376 52.037 0.059 0.000 0.628 192 A CB -0.919 18.130 19.000 0.082 0.000 0.814 192 A HN 0.371 nan 8.150 nan 0.000 0.444 193 V N 0.356 120.332 119.914 0.104 0.000 2.358 193 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 193 V C 2.537 178.744 176.094 0.188 0.000 1.047 193 V CA 1.790 64.166 62.300 0.126 0.000 1.035 193 V CB -0.741 31.155 31.823 0.122 0.000 0.658 193 V HN 0.570 nan 8.190 nan 0.000 0.452 194 L N -0.794 120.563 121.223 0.222 0.000 2.046 194 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 194 L C 2.443 179.469 176.870 0.260 0.000 1.077 194 L CA 1.553 56.585 54.840 0.321 0.000 0.747 194 L CB -0.660 41.494 42.059 0.158 0.000 0.896 194 L HN 0.316 nan 8.230 nan 0.000 0.432 195 L N -0.517 120.809 121.223 0.170 0.000 2.046 195 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 195 L C 2.594 179.575 176.870 0.185 0.000 1.077 195 L CA 0.869 55.812 54.840 0.172 0.000 0.747 195 L CB -0.387 41.754 42.059 0.137 0.000 0.896 195 L HN 0.217 nan 8.230 nan 0.000 0.432 196 L N -0.482 120.838 121.223 0.162 0.000 2.083 196 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 196 L C 2.193 179.149 176.870 0.144 0.000 1.083 196 L CA 1.743 56.664 54.840 0.134 0.000 0.752 196 L CB -0.159 41.965 42.059 0.109 0.000 0.899 196 L HN 0.136 nan 8.230 nan 0.000 0.433 197 L N -1.679 119.660 121.223 0.194 0.000 2.202 197 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 197 L C 2.538 179.615 176.870 0.345 0.000 1.083 197 L CA 0.958 55.920 54.840 0.204 0.000 0.790 197 L CB -0.553 41.545 42.059 0.066 0.000 0.942 197 L HN 0.408 nan 8.230 nan 0.000 0.452 198 S N -0.134 115.811 115.700 0.409 0.000 2.388 198 S HA -0.037 4.433 4.470 -0.000 0.000 0.223 198 S C 1.966 176.775 174.600 0.349 0.000 1.034 198 S CA 0.281 58.715 58.200 0.391 0.000 0.963 198 S CB -0.604 62.725 63.200 0.215 0.000 0.827 198 S HN 0.257 nan 8.310 nan 0.000 0.481 199 L N 1.811 123.198 121.223 0.273 0.000 2.079 199 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 199 L C -0.758 176.109 176.870 -0.006 0.000 1.081 199 L CA 1.255 56.135 54.840 0.066 0.000 0.752 199 L CB -1.403 40.699 42.059 0.071 0.000 0.896 199 L HN 0.295 nan 8.230 nan 0.000 0.433 200 P HA -0.113 nan 4.420 nan 0.000 0.220 200 P C 1.819 179.122 177.300 0.005 0.000 1.148 200 P CA 0.969 64.086 63.100 0.028 0.000 0.803 200 P CB 0.138 31.866 31.700 0.046 0.000 0.782 201 V N -0.511 119.430 119.914 0.046 0.000 2.379 201 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 201 V C 2.325 178.374 176.094 -0.074 0.000 1.044 201 V CA 1.316 63.624 62.300 0.013 0.000 1.036 201 V CB -1.188 30.720 31.823 0.141 0.000 0.664 201 V HN 0.061 nan 8.190 nan 0.000 0.453 202 L N 1.248 122.382 121.223 -0.149 0.000 2.012 202 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 202 L C 2.493 179.218 176.870 -0.243 0.000 1.073 202 L CA 2.463 57.090 54.840 -0.356 0.000 0.748 202 L CB -0.943 40.594 42.059 -0.869 0.000 0.891 202 L HN 0.210 nan 8.230 nan 0.000 0.431 203 A N -0.353 122.368 122.820 -0.164 0.000 1.917 203 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 203 A C 2.467 180.057 177.584 0.010 0.000 1.182 203 A CA 2.191 54.212 52.037 -0.027 0.000 0.633 203 A CB -1.307 17.718 19.000 0.042 0.000 0.819 203 A HN 0.644 nan 8.150 nan 0.000 0.448 204 A N -0.589 122.209 122.820 -0.038 0.000 1.877 204 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 204 A C 2.469 180.012 177.584 -0.068 0.000 1.186 204 A CA 2.033 54.036 52.037 -0.057 0.000 0.620 204 A CB -1.479 17.472 19.000 -0.082 0.000 0.822 204 A HN 0.778 nan 8.150 nan 0.000 0.443 205 G N 0.698 109.456 108.800 -0.069 0.000 2.421 205 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 205 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 205 G C 1.515 176.486 174.900 0.118 0.000 1.171 205 G CA 1.279 46.375 45.100 -0.007 0.000 0.775 205 G HN 0.861 nan 8.290 nan 0.000 0.543 206 I N -1.869 118.713 120.570 0.021 0.000 2.761 206 I HA 0.048 4.218 4.170 -0.000 0.000 0.261 206 I C 2.258 178.371 176.117 -0.007 0.000 1.198 206 I CA 1.410 62.716 61.300 0.010 0.000 1.482 206 I CB -0.537 37.342 38.000 -0.201 0.000 1.100 206 I HN -0.081 nan 8.210 nan 0.000 0.445 207 T N 1.447 116.028 114.554 0.045 0.000 2.857 207 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 207 T C 1.906 176.624 174.700 0.031 0.000 1.048 207 T CA 1.542 63.700 62.100 0.095 0.000 1.139 207 T CB -0.156 68.779 68.868 0.112 0.000 0.874 207 T HN 0.323 nan 8.240 nan 0.000 0.455 208 M N 0.345 119.918 119.600 -0.044 0.000 2.229 208 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 208 M C 2.167 178.565 176.300 0.163 0.000 1.063 208 M CA 1.030 56.213 55.300 -0.195 0.000 1.114 208 M CB -0.336 31.832 32.600 -0.720 0.000 1.387 208 M HN 0.167 nan 8.290 nan 0.000 0.420 209 L N 0.429 121.855 121.223 0.339 0.000 2.093 209 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 209 L C 2.112 179.055 176.870 0.121 0.000 1.085 209 L CA 1.482 56.509 54.840 0.312 0.000 0.755 209 L CB -0.630 41.522 42.059 0.154 0.000 0.904 209 L HN 0.191 nan 8.230 nan 0.000 0.435 210 L N -0.613 120.638 121.223 0.047 0.000 2.046 210 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 210 L C 2.596 179.498 176.870 0.053 0.000 1.077 210 L CA 2.518 57.351 54.840 -0.012 0.000 0.747 210 L CB -0.964 41.065 42.059 -0.051 0.000 0.896 210 L HN 0.614 nan 8.230 nan 0.000 0.432 211 T N -4.677 109.940 114.554 0.104 0.000 2.857 211 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 211 T C 1.657 176.429 174.700 0.119 0.000 1.048 211 T CA 1.197 63.373 62.100 0.128 0.000 1.139 211 T CB -0.619 68.366 68.868 0.195 0.000 0.874 211 T HN 0.268 nan 8.240 nan 0.000 0.455 212 D N 1.297 121.786 120.400 0.150 0.000 2.144 212 D HA 0.014 4.654 4.640 -0.000 0.000 0.199 212 D C 2.455 178.802 176.300 0.077 0.000 0.984 212 D CA 0.850 54.918 54.000 0.113 0.000 0.834 212 D CB -0.148 40.752 40.800 0.166 0.000 0.955 212 D HN 0.447 nan 8.370 nan 0.000 0.465 213 R N -0.328 120.214 120.500 0.071 0.000 2.161 213 R HA 0.150 4.490 4.340 -0.000 0.000 0.213 213 R C 1.067 177.393 176.300 0.044 0.000 1.055 213 R CA 0.701 56.830 56.100 0.048 0.000 0.996 213 R CB 0.206 30.522 30.300 0.026 0.000 0.901 213 R HN 0.175 nan 8.270 nan 0.000 0.456 214 N N -0.814 117.915 118.700 0.049 0.000 2.211 214 N HA 0.113 4.853 4.740 -0.000 0.000 0.216 214 N C 0.704 176.243 175.510 0.048 0.000 1.240 214 N CA 0.244 53.325 53.050 0.051 0.000 0.895 214 N CB 1.169 39.694 38.487 0.063 0.000 1.102 214 N HN 0.095 nan 8.380 nan 0.000 0.498 215 L N 0.790 122.042 121.223 0.048 0.000 3.069 215 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 215 L C -0.149 176.731 176.870 0.016 0.000 1.201 215 L CA -0.020 54.842 54.840 0.037 0.000 1.015 215 L CB 0.062 42.151 42.059 0.050 0.000 1.371 215 L HN -0.052 nan 8.230 nan 0.000 0.574 216 N N 0.704 119.411 118.700 0.012 0.000 2.741 216 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 216 N C 0.527 176.007 175.510 -0.050 0.000 1.115 216 N CA 1.324 54.367 53.050 -0.011 0.000 0.724 216 N CB -1.312 37.168 38.487 -0.012 0.000 1.090 216 N HN 0.548 nan 8.380 nan 0.000 0.558 217 T N -2.477 112.044 114.554 -0.055 0.000 2.754 217 T HA 0.510 4.860 4.350 -0.000 0.000 0.286 217 T C 1.169 175.757 174.700 -0.185 0.000 0.997 217 T CA 0.327 62.319 62.100 -0.180 0.000 0.982 217 T CB 1.596 70.356 68.868 -0.181 0.000 1.027 217 T HN 0.252 nan 8.240 nan 0.000 0.529 218 T N -1.796 112.551 114.554 -0.345 0.000 3.748 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.281 218 T C 0.585 175.118 174.700 -0.278 0.000 0.977 218 T CA -0.662 61.307 62.100 -0.218 0.000 1.056 218 T CB -0.961 67.821 68.868 -0.143 0.000 1.138 218 T HN 0.459 nan 8.240 nan 0.000 0.498 219 F N 0.774 120.516 119.950 -0.346 0.000 2.161 219 F HA 0.101 4.628 4.527 -0.000 0.000 0.300 219 F C 1.227 176.691 175.800 -0.560 0.000 1.089 219 F CA 1.173 58.820 58.000 -0.589 0.000 1.282 219 F CB -0.318 38.029 39.000 -1.088 0.000 1.010 219 F HN 0.362 nan 8.300 nan 0.000 0.485 220 F N -1.586 118.495 119.950 0.219 0.000 2.683 220 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 220 F C 0.056 175.899 175.800 0.072 0.000 1.102 220 F CA -0.919 57.161 58.000 0.134 0.000 1.244 220 F CB -0.219 38.848 39.000 0.111 0.000 1.029 220 F HN -0.275 nan 8.300 nan 0.000 0.545 221 D N 1.523 122.004 120.400 0.134 0.000 2.392 221 D HA 0.269 4.909 4.640 -0.000 0.000 0.228 221 D C -2.025 174.306 176.300 0.053 0.000 1.074 221 D CA -2.529 51.521 54.000 0.084 0.000 0.838 221 D CB 2.045 42.871 40.800 0.044 0.000 1.067 221 D HN -0.100 nan 8.370 nan 0.000 0.511 222 P HA -0.117 nan 4.420 nan 0.000 0.218 222 P C 1.005 178.321 177.300 0.026 0.000 1.148 222 P CA 1.199 64.328 63.100 0.047 0.000 0.822 222 P CB 0.250 31.982 31.700 0.053 0.000 0.784 223 A N -0.298 122.534 122.820 0.021 0.000 1.978 223 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 223 A C 2.211 179.791 177.584 -0.007 0.000 1.170 223 A CA 1.947 53.989 52.037 0.009 0.000 0.636 223 A CB -1.584 17.421 19.000 0.009 0.000 0.810 223 A HN 0.328 nan 8.150 nan 0.000 0.448 224 G N -2.685 106.104 108.800 -0.019 0.000 3.233 224 G HA2 0.408 4.368 3.960 -0.000 0.000 0.234 224 G HA3 0.408 4.368 3.960 -0.000 0.000 0.234 224 G C 0.998 175.870 174.900 -0.047 0.000 1.137 224 G CA 0.466 45.539 45.100 -0.045 0.000 0.763 224 G HN 1.594 nan 8.290 nan 0.000 0.549 225 G N -1.107 107.681 108.800 -0.019 0.000 2.157 225 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.239 225 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.239 225 G C 0.780 175.682 174.900 0.003 0.000 0.982 225 G CA 0.171 45.267 45.100 -0.008 0.000 0.650 225 G HN 0.970 nan 8.290 nan 0.000 0.527 226 G N -0.854 107.949 108.800 0.005 0.000 2.563 226 G HA2 0.512 4.472 3.960 -0.000 0.000 0.283 226 G HA3 0.512 4.472 3.960 -0.000 0.000 0.283 226 G C -0.742 174.223 174.900 0.109 0.000 1.309 226 G CA 0.559 45.683 45.100 0.040 0.000 1.022 226 G HN 0.495 nan 8.290 nan 0.000 0.501 227 D N -1.472 119.046 120.400 0.196 0.000 2.891 227 D HA 0.339 4.979 4.640 -0.000 0.000 0.224 227 D C -2.084 174.403 176.300 0.311 0.000 1.321 227 D CA -1.617 52.512 54.000 0.214 0.000 0.929 227 D CB 2.205 43.120 40.800 0.191 0.000 1.551 227 D HN -0.050 nan 8.370 nan 0.000 0.574 228 P HA -0.050 nan 4.420 nan 0.000 0.220 228 P C 1.533 178.842 177.300 0.015 0.000 1.148 228 P CA 0.448 63.614 63.100 0.111 0.000 0.803 228 P CB 0.321 32.044 31.700 0.039 0.000 0.782 229 I N -1.312 119.289 120.570 0.053 0.000 2.493 229 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 229 I C 2.077 178.245 176.117 0.085 0.000 1.160 229 I CA 0.907 62.206 61.300 -0.002 0.000 1.445 229 I CB -1.591 36.434 38.000 0.042 0.000 1.086 229 I HN 0.012 nan 8.210 nan 0.000 0.433 230 L N 0.724 122.097 121.223 0.250 0.000 2.046 230 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 230 L C 2.609 179.616 176.870 0.227 0.000 1.077 230 L CA 1.856 56.910 54.840 0.356 0.000 0.747 230 L CB -1.208 41.139 42.059 0.482 0.000 0.896 230 L HN 0.256 nan 8.230 nan 0.000 0.432 231 Y N 0.216 120.413 120.300 -0.171 0.000 2.165 231 Y HA -0.307 4.243 4.550 -0.000 0.000 0.286 231 Y C 2.555 178.276 175.900 -0.298 0.000 1.155 231 Y CA 2.240 59.959 58.100 -0.635 0.000 1.164 231 Y CB -0.237 37.379 38.460 -1.406 0.000 0.978 231 Y HN 0.402 nan 8.280 nan 0.000 0.513 232 Q N -1.052 118.599 119.800 -0.248 0.000 2.096 232 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 232 Q C 2.064 178.075 176.000 0.019 0.000 0.982 232 Q CA 1.603 57.285 55.803 -0.201 0.000 0.850 232 Q CB -0.412 28.146 28.738 -0.299 0.000 0.901 232 Q HN 0.631 nan 8.270 nan 0.000 0.422 233 H N 0.610 119.752 119.070 0.120 0.000 2.321 233 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 233 H C 2.257 177.562 175.328 -0.038 0.000 1.087 233 H CA 1.192 57.357 56.048 0.195 0.000 1.319 233 H CB -0.202 29.685 29.762 0.208 0.000 1.379 233 H HN 0.210 nan 8.280 nan 0.000 0.501 234 L N -0.558 120.659 121.223 -0.010 0.000 2.046 234 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 234 L C 2.546 179.290 176.870 -0.210 0.000 1.077 234 L CA 1.097 55.853 54.840 -0.140 0.000 0.747 234 L CB -0.542 41.420 42.059 -0.162 0.000 0.896 234 L HN 0.103 nan 8.230 nan 0.000 0.432 235 F N -0.186 119.446 119.950 -0.528 0.000 2.084 235 F HA -0.217 4.310 4.527 -0.000 0.000 0.296 235 F C 2.063 177.621 175.800 -0.403 0.000 1.111 235 F CA 1.472 59.108 58.000 -0.607 0.000 1.224 235 F CB -0.429 37.992 39.000 -0.965 0.000 0.991 235 F HN -0.046 nan 8.300 nan 0.000 0.471 236 W N -1.009 120.317 121.300 0.044 0.000 2.465 236 W HA -0.132 4.528 4.660 -0.000 0.000 0.268 236 W C 2.241 178.702 176.519 -0.096 0.000 1.242 236 W CA 0.592 57.935 57.345 -0.003 0.000 1.248 236 W CB -0.647 28.950 29.460 0.227 0.000 1.118 236 W HN 0.105 nan 8.180 nan 0.000 0.587 237 F N -0.143 119.689 119.950 -0.197 0.000 2.216 237 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 237 F C 2.133 177.822 175.800 -0.185 0.000 1.085 237 F CA 1.651 59.413 58.000 -0.395 0.000 1.326 237 F CB -0.430 38.201 39.000 -0.615 0.000 1.027 237 F HN -0.027 nan 8.300 nan 0.000 0.497 238 F N 0.136 119.910 119.950 -0.293 0.000 2.262 238 F HA 0.238 4.765 4.527 -0.000 0.000 0.292 238 F C 2.246 177.790 175.800 -0.427 0.000 1.081 238 F CA 1.246 59.029 58.000 -0.361 0.000 1.355 238 F CB -1.187 37.578 39.000 -0.390 0.000 1.069 238 F HN -0.119 nan 8.300 nan 0.000 0.506 239 G N -0.302 107.929 108.800 -0.948 0.000 2.476 239 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.218 239 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.218 239 G C 1.487 176.146 174.900 -0.401 0.000 1.164 239 G CA 1.526 46.111 45.100 -0.859 0.000 0.768 239 G HN 0.562 nan 8.290 nan 0.000 0.560 240 H N 1.642 120.653 119.070 -0.099 0.000 2.299 240 H HA 0.020 4.576 4.556 -0.000 0.000 0.302 240 H C 0.231 175.484 175.328 -0.124 0.000 1.078 240 H CA 1.510 57.571 56.048 0.022 0.000 1.323 240 H CB -0.656 29.207 29.762 0.167 0.000 1.381 240 H HN 0.265 nan 8.280 nan 0.000 0.498 241 P HA -0.176 nan 4.420 nan 0.000 0.216 241 P C 1.236 178.262 177.300 -0.457 0.000 1.150 241 P CA 1.992 64.781 63.100 -0.518 0.000 0.843 241 P CB 0.022 31.174 31.700 -0.913 0.000 0.787 242 E N -0.004 119.776 120.200 -0.700 0.000 2.118 242 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 242 E C 1.703 178.020 176.600 -0.470 0.000 0.992 242 E CA 1.538 57.551 56.400 -0.644 0.000 0.804 242 E CB -1.213 27.878 29.700 -1.014 0.000 0.741 242 E HN 0.145 nan 8.360 nan 0.000 0.458 243 V N -1.270 118.320 119.914 -0.541 0.000 2.667 243 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 243 V C 1.826 177.565 176.094 -0.592 0.000 1.065 243 V CA 1.582 63.545 62.300 -0.561 0.000 1.083 243 V CB -1.050 30.416 31.823 -0.594 0.000 0.692 243 V HN 0.230 nan 8.190 nan 0.000 0.468 244 Y N 0.225 120.350 120.300 -0.292 0.000 2.395 244 Y HA 0.233 4.783 4.550 -0.000 0.000 0.293 244 Y C 2.289 178.073 175.900 -0.193 0.000 1.123 244 Y CA 1.311 59.307 58.100 -0.175 0.000 1.227 244 Y CB -0.381 38.030 38.460 -0.083 0.000 1.012 244 Y HN 0.197 nan 8.280 nan 0.000 0.552 245 I N -0.586 119.910 120.570 -0.123 0.000 2.394 245 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 245 I C 1.839 177.861 176.117 -0.158 0.000 1.136 245 I CA 1.189 62.418 61.300 -0.118 0.000 1.425 245 I CB -0.230 37.697 38.000 -0.122 0.000 1.079 245 I HN 0.208 nan 8.210 nan 0.000 0.425 246 L N -0.492 120.597 121.223 -0.224 0.000 2.217 246 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 246 L C 2.236 178.985 176.870 -0.202 0.000 1.107 246 L CA 0.863 55.572 54.840 -0.220 0.000 0.783 246 L CB -0.107 41.782 42.059 -0.283 0.000 0.919 246 L HN 0.240 nan 8.230 nan 0.000 0.442 247 I N -1.180 119.227 120.570 -0.271 0.000 3.526 247 I HA -0.043 4.127 4.170 -0.000 0.000 0.294 247 I C 1.986 177.746 176.117 -0.596 0.000 1.229 247 I CA 0.771 61.829 61.300 -0.404 0.000 1.408 247 I CB 0.204 37.909 38.000 -0.492 0.000 1.127 247 I HN 0.010 nan 8.210 nan 0.000 0.439 248 L N 1.251 122.245 121.223 -0.383 0.000 2.012 248 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 248 L C -0.446 176.400 176.870 -0.039 0.000 1.073 248 L CA 1.801 56.519 54.840 -0.205 0.000 0.748 248 L CB -1.754 40.290 42.059 -0.024 0.000 0.891 248 L HN 0.189 nan 8.230 nan 0.000 0.431 249 P HA -0.108 nan 4.420 nan 0.000 0.220 249 P C 1.484 178.888 177.300 0.173 0.000 1.148 249 P CA 1.512 64.665 63.100 0.087 0.000 0.803 249 P CB -0.146 31.589 31.700 0.058 0.000 0.782 250 G N -1.109 107.702 108.800 0.018 0.000 2.421 250 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 250 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 250 G C 1.445 176.350 174.900 0.008 0.000 1.171 250 G CA 0.261 45.340 45.100 -0.035 0.000 0.775 250 G HN 0.227 nan 8.290 nan 0.000 0.543 251 F N 1.331 121.296 119.950 0.025 0.000 2.126 251 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 251 F C 3.012 178.971 175.800 0.266 0.000 1.096 251 F CA 0.321 58.435 58.000 0.191 0.000 1.255 251 F CB -0.156 39.033 39.000 0.315 0.000 0.997 251 F HN 0.275 nan 8.300 nan 0.000 0.479 252 G N 0.211 109.299 108.800 0.479 0.000 2.421 252 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 252 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 252 G C 1.585 176.773 174.900 0.480 0.000 1.171 252 G CA 0.708 46.129 45.100 0.534 0.000 0.775 252 G HN 0.217 nan 8.290 nan 0.000 0.543 253 M N 0.117 119.878 119.600 0.268 0.000 2.175 253 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 253 M C 2.445 178.754 176.300 0.015 0.000 1.063 253 M CA 0.820 56.155 55.300 0.059 0.000 1.119 253 M CB -0.295 32.233 32.600 -0.120 0.000 1.377 253 M HN 0.101 nan 8.290 nan 0.000 0.415 254 I N 0.029 120.504 120.570 -0.159 0.000 2.226 254 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 254 I C 2.447 178.421 176.117 -0.238 0.000 1.100 254 I CA 1.443 62.473 61.300 -0.451 0.000 1.374 254 I CB -1.318 36.004 38.000 -1.130 0.000 1.057 254 I HN 0.230 nan 8.210 nan 0.000 0.413 255 S N -0.501 115.298 115.700 0.165 0.000 2.370 255 S HA -0.191 4.279 4.470 -0.000 0.000 0.226 255 S C 1.901 176.669 174.600 0.280 0.000 1.033 255 S CA 1.051 59.497 58.200 0.410 0.000 1.011 255 S CB -0.428 63.121 63.200 0.581 0.000 0.852 255 S HN 0.508 nan 8.310 nan 0.000 0.457 256 H N 0.280 119.457 119.070 0.178 0.000 2.357 256 H HA 0.057 4.613 4.556 -0.000 0.000 0.301 256 H C 2.145 177.449 175.328 -0.039 0.000 1.082 256 H CA 1.366 57.506 56.048 0.152 0.000 1.342 256 H CB -0.139 29.791 29.762 0.280 0.000 1.389 256 H HN 0.345 nan 8.280 nan 0.000 0.511 257 I N 0.266 120.817 120.570 -0.032 0.000 2.202 257 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 257 I C 2.521 178.637 176.117 -0.001 0.000 1.091 257 I CA 0.664 61.867 61.300 -0.162 0.000 1.368 257 I CB -0.156 37.730 38.000 -0.189 0.000 1.058 257 I HN 0.003 nan 8.210 nan 0.000 0.410 258 V N 0.477 120.373 119.914 -0.030 0.000 2.343 258 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 258 V C 2.510 178.628 176.094 0.040 0.000 1.051 258 V CA 2.461 64.761 62.300 -0.001 0.000 1.036 258 V CB -0.938 30.873 31.823 -0.020 0.000 0.654 258 V HN 0.469 nan 8.190 nan 0.000 0.451 259 T N -1.100 113.491 114.554 0.061 0.000 2.708 259 T HA -0.235 4.115 4.350 -0.000 0.000 0.266 259 T C 1.740 176.415 174.700 -0.042 0.000 1.037 259 T CA 2.112 64.237 62.100 0.042 0.000 1.146 259 T CB -0.382 68.520 68.868 0.057 0.000 0.865 259 T HN 0.539 nan 8.240 nan 0.000 0.435 260 Y N 0.750 120.924 120.300 -0.211 0.000 2.097 260 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 260 Y C 1.828 177.433 175.900 -0.491 0.000 1.152 260 Y CA 1.413 59.268 58.100 -0.408 0.000 1.136 260 Y CB -0.370 37.685 38.460 -0.676 0.000 0.975 260 Y HN 0.252 nan 8.280 nan 0.000 0.498 261 Y N -1.081 119.198 120.300 -0.035 0.000 2.578 261 Y HA 0.010 4.560 4.550 -0.000 0.000 0.297 261 Y C 2.148 177.939 175.900 -0.182 0.000 1.176 261 Y CA 0.823 58.852 58.100 -0.117 0.000 1.315 261 Y CB -0.162 38.225 38.460 -0.122 0.000 1.031 261 Y HN 0.023 nan 8.280 nan 0.000 0.524 262 S N -1.022 114.632 115.700 -0.076 0.000 2.556 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 262 S C 1.720 176.250 174.600 -0.116 0.000 0.970 262 S CA 0.549 58.699 58.200 -0.085 0.000 0.912 262 S CB -0.073 63.105 63.200 -0.037 0.000 0.790 262 S HN 0.643 nan 8.310 nan 0.000 0.504 263 G N 1.735 110.418 108.800 -0.194 0.000 2.198 263 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 263 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 263 G C -0.106 174.695 174.900 -0.165 0.000 1.025 263 G CA 0.244 45.209 45.100 -0.225 0.000 0.769 263 G HN 0.354 nan 8.290 nan 0.000 0.507 264 K N -0.217 120.103 120.400 -0.133 0.000 2.098 264 K HA 0.560 4.880 4.320 -0.000 0.000 0.258 264 K C 1.454 178.012 176.600 -0.070 0.000 0.973 264 K CA -0.295 55.952 56.287 -0.066 0.000 0.898 264 K CB 0.968 33.465 32.500 -0.004 0.000 1.057 264 K HN 0.284 nan 8.250 nan 0.000 0.447 265 K N 1.088 121.467 120.400 -0.036 0.000 2.400 265 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 265 K C -0.441 176.164 176.600 0.008 0.000 1.033 265 K CA 0.515 56.788 56.287 -0.022 0.000 1.021 265 K CB 0.177 32.667 32.500 -0.016 0.000 0.808 265 K HN 0.639 nan 8.250 nan 0.000 0.505 266 E N 0.509 120.725 120.200 0.027 0.000 2.401 266 E HA 0.329 4.679 4.350 -0.000 0.000 0.280 266 E C -3.103 173.560 176.600 0.106 0.000 1.039 266 E CA -2.348 54.087 56.400 0.057 0.000 0.814 266 E CB 1.497 31.220 29.700 0.038 0.000 1.275 266 E HN -0.168 nan 8.360 nan 0.000 0.448 267 P HA 0.137 nan 4.420 nan 0.000 0.277 267 P C -0.730 176.715 177.300 0.242 0.000 1.240 267 P CA -0.429 62.806 63.100 0.224 0.000 0.798 267 P CB 0.533 32.386 31.700 0.255 0.000 0.979 268 F N 1.786 121.812 119.950 0.128 0.000 2.529 268 F HA 0.355 4.882 4.527 -0.000 0.000 0.365 268 F C 1.357 177.212 175.800 0.091 0.000 1.102 268 F CA 1.228 59.290 58.000 0.104 0.000 1.271 268 F CB -0.082 38.980 39.000 0.104 0.000 1.120 268 F HN 0.700 nan 8.300 nan 0.000 0.579 269 G N 6.083 114.591 108.800 -0.486 0.000 2.372 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G C 0.376 175.269 174.900 -0.011 0.000 1.005 269 G CA 0.678 45.615 45.100 -0.272 0.000 1.173 269 G HN 1.056 nan 8.290 nan 0.000 0.511 270 Y N 0.561 120.815 120.300 -0.078 0.000 2.069 270 Y HA -0.277 4.273 4.550 -0.000 0.000 0.278 270 Y C 2.656 178.533 175.900 -0.039 0.000 1.175 270 Y CA 2.672 60.765 58.100 -0.012 0.000 1.134 270 Y CB -0.081 38.391 38.460 0.021 0.000 0.965 270 Y HN 0.415 nan 8.280 nan 0.000 0.498 271 M N -0.122 119.510 119.600 0.053 0.000 2.213 271 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 271 M C 2.402 178.635 176.300 -0.111 0.000 1.062 271 M CA 1.412 56.659 55.300 -0.088 0.000 1.105 271 M CB -1.885 30.695 32.600 -0.034 0.000 1.385 271 M HN 0.509 nan 8.290 nan 0.000 0.417 272 G N -0.277 108.484 108.800 -0.065 0.000 2.422 272 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 272 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 272 G C 1.535 176.478 174.900 0.071 0.000 1.140 272 G CA 0.388 45.501 45.100 0.023 0.000 0.775 272 G HN 0.261 nan 8.290 nan 0.000 0.545 273 M N 0.463 120.016 119.600 -0.078 0.000 2.200 273 M HA 0.035 4.515 4.480 -0.000 0.000 0.265 273 M C 2.722 178.887 176.300 -0.224 0.000 1.066 273 M CA 0.681 55.897 55.300 -0.141 0.000 1.127 273 M CB -0.917 31.597 32.600 -0.142 0.000 1.379 273 M HN 0.109 nan 8.290 nan 0.000 0.420 274 V N -1.036 118.629 119.914 -0.415 0.000 2.307 274 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 274 V C 2.087 177.979 176.094 -0.336 0.000 1.045 274 V CA 1.781 63.696 62.300 -0.641 0.000 1.024 274 V CB -0.833 30.358 31.823 -1.054 0.000 0.651 274 V HN 0.629 nan 8.190 nan 0.000 0.449 275 W N 1.275 122.381 121.300 -0.323 0.000 2.335 275 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 275 W C 2.427 178.874 176.519 -0.121 0.000 1.213 275 W CA 2.292 59.522 57.345 -0.191 0.000 1.274 275 W CB -0.453 28.917 29.460 -0.150 0.000 1.148 275 W HN 0.187 nan 8.180 nan 0.000 0.498 276 A N 0.479 123.193 122.820 -0.176 0.000 1.883 276 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 276 A C 2.072 179.472 177.584 -0.307 0.000 1.186 276 A CA 2.297 54.099 52.037 -0.391 0.000 0.624 276 A CB -0.933 18.002 19.000 -0.109 0.000 0.822 276 A HN 0.441 nan 8.150 nan 0.000 0.444 277 M N -1.328 118.174 119.600 -0.163 0.000 2.175 277 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 277 M C 2.400 178.667 176.300 -0.056 0.000 1.063 277 M CA 1.389 56.672 55.300 -0.028 0.000 1.119 277 M CB -0.410 32.222 32.600 0.053 0.000 1.377 277 M HN 0.426 nan 8.290 nan 0.000 0.415 278 M N -0.664 118.853 119.600 -0.139 0.000 2.132 278 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 278 M C 2.276 178.514 176.300 -0.103 0.000 1.065 278 M CA 1.459 56.712 55.300 -0.079 0.000 1.122 278 M CB -0.501 32.043 32.600 -0.092 0.000 1.365 278 M HN 0.206 nan 8.290 nan 0.000 0.411 279 S N 0.999 116.496 115.700 -0.338 0.000 2.368 279 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 279 S C 1.825 176.347 174.600 -0.130 0.000 1.030 279 S CA 1.180 59.189 58.200 -0.317 0.000 0.999 279 S CB -0.399 62.322 63.200 -0.797 0.000 0.844 279 S HN 0.371 nan 8.310 nan 0.000 0.459 280 I N 1.444 121.911 120.570 -0.171 0.000 2.226 280 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 280 I C 2.667 178.686 176.117 -0.162 0.000 1.100 280 I CA 1.184 62.395 61.300 -0.148 0.000 1.374 280 I CB -0.775 37.218 38.000 -0.010 0.000 1.057 280 I HN 0.378 nan 8.210 nan 0.000 0.413 281 G N 0.478 109.266 108.800 -0.020 0.000 2.418 281 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 281 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 281 G C 1.572 176.567 174.900 0.158 0.000 1.158 281 G CA 0.515 45.656 45.100 0.068 0.000 0.771 281 G HN 0.344 nan 8.290 nan 0.000 0.545 282 F N 1.221 121.202 119.950 0.051 0.000 2.084 282 F HA 0.096 4.623 4.527 -0.000 0.000 0.296 282 F C 2.441 178.307 175.800 0.111 0.000 1.111 282 F CA 1.109 59.174 58.000 0.107 0.000 1.224 282 F CB -0.381 38.635 39.000 0.026 0.000 0.991 282 F HN 0.027 nan 8.300 nan 0.000 0.471 283 L N 0.335 121.446 121.223 -0.187 0.000 2.127 283 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 283 L C 2.665 179.359 176.870 -0.292 0.000 1.089 283 L CA 1.262 55.945 54.840 -0.262 0.000 0.757 283 L CB -1.505 40.483 42.059 -0.118 0.000 0.899 283 L HN 0.399 nan 8.230 nan 0.000 0.434 284 G N -1.055 107.547 108.800 -0.330 0.000 2.535 284 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 284 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 284 G C 1.172 175.923 174.900 -0.248 0.000 1.122 284 G CA 0.282 45.191 45.100 -0.320 0.000 0.769 284 G HN 0.301 nan 8.290 nan 0.000 0.549 285 F N -0.054 119.769 119.950 -0.210 0.000 2.749 285 F HA 0.309 4.836 4.527 -0.000 0.000 0.300 285 F C 1.842 177.661 175.800 0.031 0.000 1.103 285 F CA -0.157 57.715 58.000 -0.214 0.000 1.342 285 F CB 0.458 39.306 39.000 -0.253 0.000 1.098 285 F HN 0.213 nan 8.300 nan 0.000 0.586 286 I N -1.864 118.811 120.570 0.174 0.000 3.762 286 I HA 0.261 4.431 4.170 -0.000 0.000 0.333 286 I C 0.366 176.639 176.117 0.260 0.000 1.566 286 I CA 0.001 61.501 61.300 0.332 0.000 1.129 286 I CB 0.168 38.252 38.000 0.141 0.000 1.218 286 I HN -0.090 nan 8.210 nan 0.000 0.456 287 V N -3.445 116.591 119.914 0.203 0.000 3.382 287 V HA 0.202 4.322 4.120 -0.000 0.000 0.296 287 V C 1.734 177.619 176.094 -0.349 0.000 1.529 287 V CA -0.112 62.198 62.300 0.017 0.000 1.048 287 V CB -0.860 30.834 31.823 -0.215 0.000 0.878 287 V HN 0.699 nan 8.190 nan 0.000 0.442 288 W N 2.541 123.760 121.300 -0.134 0.000 2.308 288 W HA -0.145 4.515 4.660 -0.000 0.000 0.301 288 W C 1.871 178.126 176.519 -0.440 0.000 1.220 288 W CA 2.224 59.453 57.345 -0.193 0.000 1.240 288 W CB -1.027 28.492 29.460 0.098 0.000 1.142 288 W HN 0.254 nan 8.180 nan 0.000 0.521 289 A N 1.695 123.524 122.820 -1.652 0.000 2.225 289 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 289 A C 1.815 178.621 177.584 -1.296 0.000 1.164 289 A CA 1.332 52.445 52.037 -1.541 0.000 0.710 289 A CB -1.855 15.721 19.000 -2.373 0.000 0.780 289 A HN 0.823 nan 8.150 nan 0.000 0.473 290 H N -3.151 115.215 119.070 -1.174 0.000 2.561 290 H HA 0.005 4.561 4.556 -0.000 0.000 0.278 290 H C 0.764 175.237 175.328 -1.425 0.000 1.014 290 H CA 0.878 55.908 56.048 -1.698 0.000 1.211 290 H CB -0.325 28.889 29.762 -0.913 0.000 1.365 290 H HN 0.670 nan 8.280 nan 0.000 0.594 291 H N 0.429 119.064 119.070 -0.725 0.000 2.529 291 H HA 0.227 4.783 4.556 -0.000 0.000 0.277 291 H C 0.476 175.440 175.328 -0.607 0.000 1.004 291 H CA 0.214 55.805 56.048 -0.762 0.000 1.167 291 H CB 0.528 29.313 29.762 -1.629 0.000 1.445 291 H HN 0.480 nan 8.280 nan 0.000 0.554 292 M N -0.433 118.829 119.600 -0.562 0.000 2.848 292 M HA 0.108 4.588 4.480 -0.000 0.000 0.420 292 M C 0.101 176.248 176.300 -0.256 0.000 1.304 292 M CA -0.184 54.904 55.300 -0.354 0.000 0.844 292 M CB 0.532 32.959 32.600 -0.288 0.000 1.451 292 M HN -0.085 nan 8.290 nan 0.000 0.511 293 F N 1.009 120.778 119.950 -0.302 0.000 2.408 293 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 293 F C 2.468 178.159 175.800 -0.182 0.000 1.090 293 F CA 1.450 59.320 58.000 -0.216 0.000 1.427 293 F CB -0.700 38.186 39.000 -0.190 0.000 1.070 293 F HN 0.278 nan 8.300 nan 0.000 0.549 294 T N -3.929 110.580 114.554 -0.075 0.000 3.054 294 T HA 0.145 4.495 4.350 -0.000 0.000 0.255 294 T C 1.595 176.293 174.700 -0.004 0.000 1.035 294 T CA 0.665 62.746 62.100 -0.033 0.000 0.941 294 T CB -0.664 68.190 68.868 -0.024 0.000 1.026 294 T HN 0.096 nan 8.240 nan 0.000 0.533 295 V N -1.154 118.749 119.914 -0.018 0.000 3.217 295 V HA 0.514 4.634 4.120 -0.000 0.000 0.264 295 V C 1.503 177.617 176.094 0.033 0.000 1.135 295 V CA 0.572 62.876 62.300 0.006 0.000 1.142 295 V CB -1.264 30.544 31.823 -0.025 0.000 0.754 295 V HN 0.831 nan 8.190 nan 0.000 0.484 296 G N 0.102 108.927 108.800 0.042 0.000 2.309 296 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.183 296 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.183 296 G C -0.360 174.581 174.900 0.069 0.000 1.063 296 G CA 0.097 45.229 45.100 0.053 0.000 0.768 296 G HN 0.486 nan 8.290 nan 0.000 0.490 297 M N 0.358 120.007 119.600 0.082 0.000 2.368 297 M HA 0.373 4.853 4.480 -0.000 0.000 0.311 297 M C 0.250 176.608 176.300 0.096 0.000 1.168 297 M CA -0.799 54.565 55.300 0.107 0.000 1.044 297 M CB 0.454 33.138 32.600 0.139 0.000 1.506 297 M HN 0.107 nan 8.290 nan 0.000 0.475 298 D N 0.877 121.337 120.400 0.101 0.000 2.419 298 D HA -0.046 4.594 4.640 -0.000 0.000 0.236 298 D C 0.859 177.208 176.300 0.082 0.000 1.165 298 D CA 0.003 54.051 54.000 0.081 0.000 0.882 298 D CB 0.875 41.722 40.800 0.079 0.000 1.201 298 D HN 0.354 nan 8.370 nan 0.000 0.443 299 V N 1.756 121.703 119.914 0.054 0.000 2.407 299 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 299 V C 1.211 177.336 176.094 0.052 0.000 1.055 299 V CA 1.855 64.178 62.300 0.037 0.000 1.049 299 V CB -0.110 31.721 31.823 0.014 0.000 0.662 299 V HN 0.403 nan 8.190 nan 0.000 0.455 300 D N -0.529 119.908 120.400 0.061 0.000 2.144 300 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 300 D C 2.246 178.618 176.300 0.122 0.000 0.978 300 D CA 1.813 55.855 54.000 0.069 0.000 0.833 300 D CB -0.441 40.390 40.800 0.051 0.000 0.961 300 D HN 0.435 nan 8.370 nan 0.000 0.470 301 T N 0.651 115.298 114.554 0.155 0.000 2.746 301 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 301 T C 1.976 176.911 174.700 0.392 0.000 1.039 301 T CA 0.865 63.126 62.100 0.268 0.000 1.142 301 T CB 0.048 69.081 68.868 0.275 0.000 0.866 301 T HN 0.137 nan 8.240 nan 0.000 0.444 302 R N 0.678 121.336 120.500 0.264 0.000 2.115 302 R HA 0.108 4.448 4.340 -0.000 0.000 0.230 302 R C 2.738 179.100 176.300 0.103 0.000 1.111 302 R CA 1.079 57.316 56.100 0.230 0.000 0.976 302 R CB -0.308 30.023 30.300 0.051 0.000 0.870 302 R HN 0.331 nan 8.270 nan 0.000 0.445 303 A N 0.427 123.285 122.820 0.064 0.000 1.930 303 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 303 A C 1.936 179.528 177.584 0.013 0.000 1.175 303 A CA 0.997 53.039 52.037 0.008 0.000 0.627 303 A CB -0.586 18.421 19.000 0.012 0.000 0.815 303 A HN 0.458 nan 8.150 nan 0.000 0.443 304 Y N -0.478 119.809 120.300 -0.022 0.000 2.114 304 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 304 Y C 1.851 177.661 175.900 -0.149 0.000 1.143 304 Y CA 1.853 59.875 58.100 -0.131 0.000 1.135 304 Y CB -0.647 37.659 38.460 -0.256 0.000 0.980 304 Y HN 0.228 nan 8.280 nan 0.000 0.499 305 F N 0.365 120.152 119.950 -0.272 0.000 2.269 305 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 305 F C 2.467 178.217 175.800 -0.084 0.000 1.082 305 F CA 1.897 59.725 58.000 -0.286 0.000 1.360 305 F CB -0.946 38.047 39.000 -0.012 0.000 1.041 305 F HN 0.047 nan 8.300 nan 0.000 0.512 306 T N -1.150 113.481 114.554 0.129 0.000 2.737 306 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 306 T C 2.277 176.943 174.700 -0.056 0.000 1.038 306 T CA 1.712 63.844 62.100 0.053 0.000 1.144 306 T CB -0.354 68.452 68.868 -0.104 0.000 0.866 306 T HN 0.173 nan 8.240 nan 0.000 0.434 307 S N 1.548 117.160 115.700 -0.146 0.000 2.356 307 S HA -0.026 4.444 4.470 -0.000 0.000 0.223 307 S C 2.583 177.067 174.600 -0.193 0.000 1.032 307 S CA 1.001 59.110 58.200 -0.152 0.000 1.005 307 S CB -0.607 62.510 63.200 -0.139 0.000 0.867 307 S HN 0.570 nan 8.310 nan 0.000 0.449 308 A N 1.393 123.975 122.820 -0.397 0.000 1.902 308 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 308 A C 2.319 179.802 177.584 -0.169 0.000 1.181 308 A CA 2.043 53.868 52.037 -0.353 0.000 0.623 308 A CB -1.348 17.229 19.000 -0.705 0.000 0.818 308 A HN 0.479 nan 8.150 nan 0.000 0.443 309 T N 0.134 114.624 114.554 -0.106 0.000 2.788 309 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 309 T C 1.869 176.563 174.700 -0.010 0.000 1.044 309 T CA 1.775 63.879 62.100 0.006 0.000 1.139 309 T CB -0.313 68.641 68.868 0.143 0.000 0.867 309 T HN 0.467 nan 8.240 nan 0.000 0.454 310 M N 0.221 119.806 119.600 -0.024 0.000 2.296 310 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 310 M C 2.044 178.347 176.300 0.004 0.000 1.064 310 M CA 1.150 56.443 55.300 -0.012 0.000 1.109 310 M CB -0.536 32.052 32.600 -0.020 0.000 1.396 310 M HN 0.217 nan 8.290 nan 0.000 0.430 311 I N 0.581 121.149 120.570 -0.004 0.000 2.335 311 I HA -0.299 3.871 4.170 -0.000 0.000 0.251 311 I C 2.077 178.211 176.117 0.029 0.000 1.129 311 I CA 1.294 62.606 61.300 0.020 0.000 1.402 311 I CB -0.431 37.581 38.000 0.019 0.000 1.069 311 I HN 0.285 nan 8.210 nan 0.000 0.424 312 I N 0.928 121.506 120.570 0.012 0.000 2.530 312 I HA -0.266 3.904 4.170 -0.000 0.000 0.257 312 I C 2.723 178.879 176.117 0.064 0.000 1.179 312 I CA 0.995 62.305 61.300 0.017 0.000 1.440 312 I CB -0.591 37.418 38.000 0.016 0.000 1.087 312 I HN 0.185 nan 8.210 nan 0.000 0.440 313 A N 1.285 124.145 122.820 0.067 0.000 2.019 313 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 313 A C 2.281 179.916 177.584 0.084 0.000 1.164 313 A CA 1.325 53.407 52.037 0.076 0.000 0.644 313 A CB -0.601 18.433 19.000 0.057 0.000 0.805 313 A HN 0.401 nan 8.150 nan 0.000 0.449 314 I N 0.356 120.982 120.570 0.093 0.000 2.133 314 I HA -0.141 4.029 4.170 -0.000 0.000 0.238 314 I C -0.280 175.932 176.117 0.159 0.000 1.074 314 I CA 1.426 62.811 61.300 0.142 0.000 1.342 314 I CB -1.203 36.898 38.000 0.169 0.000 1.053 314 I HN 0.232 nan 8.210 nan 0.000 0.404 315 P HA -0.116 nan 4.420 nan 0.000 0.217 315 P C 1.551 178.836 177.300 -0.025 0.000 1.150 315 P CA 1.656 64.737 63.100 -0.033 0.000 0.832 315 P CB -0.282 31.194 31.700 -0.374 0.000 0.787 316 T N -0.312 114.245 114.554 0.005 0.000 2.788 316 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 316 T C 2.160 176.799 174.700 -0.102 0.000 1.044 316 T CA 1.727 63.824 62.100 -0.005 0.000 1.139 316 T CB -1.127 67.858 68.868 0.194 0.000 0.867 316 T HN 0.207 nan 8.240 nan 0.000 0.454 317 G N 1.052 109.825 108.800 -0.045 0.000 2.422 317 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 317 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 317 G C 1.684 176.498 174.900 -0.142 0.000 1.146 317 G CA 0.663 45.678 45.100 -0.142 0.000 0.769 317 G HN 0.432 nan 8.290 nan 0.000 0.547 318 V N 0.733 120.669 119.914 0.037 0.000 2.392 318 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 318 V C 2.812 178.826 176.094 -0.134 0.000 1.059 318 V CA 2.206 64.560 62.300 0.090 0.000 1.051 318 V CB -0.353 31.607 31.823 0.228 0.000 0.658 318 V HN 0.380 nan 8.190 nan 0.000 0.455 319 K N -0.467 119.714 120.400 -0.366 0.000 2.057 319 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 319 K C 2.100 178.049 176.600 -1.085 0.000 1.050 319 K CA 1.298 57.081 56.287 -0.841 0.000 0.935 319 K CB -0.412 31.393 32.500 -1.159 0.000 0.715 319 K HN 0.326 nan 8.250 nan 0.000 0.439 320 V N 1.104 120.590 119.914 -0.712 0.000 2.295 320 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 320 V C 2.004 177.966 176.094 -0.220 0.000 1.049 320 V CA 1.817 63.904 62.300 -0.354 0.000 1.024 320 V CB -0.537 31.085 31.823 -0.335 0.000 0.648 320 V HN 0.219 nan 8.190 nan 0.000 0.447 321 F N -0.005 119.921 119.950 -0.040 0.000 2.293 321 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 321 F C 2.604 178.352 175.800 -0.086 0.000 1.086 321 F CA 1.119 59.098 58.000 -0.035 0.000 1.375 321 F CB -0.331 38.645 39.000 -0.040 0.000 1.045 321 F HN 0.064 nan 8.300 nan 0.000 0.516 322 S N -0.888 114.824 115.700 0.020 0.000 2.387 322 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 322 S C 1.695 176.361 174.600 0.109 0.000 1.026 322 S CA 0.688 58.924 58.200 0.060 0.000 0.972 322 S CB -0.300 62.926 63.200 0.043 0.000 0.814 322 S HN 0.396 nan 8.310 nan 0.000 0.477 323 W N 1.938 123.289 121.300 0.085 0.000 2.381 323 W HA 0.106 4.766 4.660 -0.000 0.000 0.301 323 W C 1.893 178.451 176.519 0.065 0.000 1.205 323 W CA 0.261 57.653 57.345 0.078 0.000 1.285 323 W CB -1.188 28.315 29.460 0.073 0.000 1.133 323 W HN 0.301 nan 8.180 nan 0.000 0.521 324 L N 0.007 121.402 121.223 0.288 0.000 2.093 324 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 324 L C 2.535 179.448 176.870 0.072 0.000 1.085 324 L CA 1.406 56.356 54.840 0.184 0.000 0.755 324 L CB -1.328 40.851 42.059 0.200 0.000 0.904 324 L HN -0.148 nan 8.230 nan 0.000 0.435 325 A N -0.661 122.120 122.820 -0.064 0.000 2.119 325 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 325 A C 2.269 179.821 177.584 -0.054 0.000 1.153 325 A CA 1.735 53.580 52.037 -0.320 0.000 0.692 325 A CB -0.575 17.724 19.000 -1.169 0.000 0.799 325 A HN 0.366 nan 8.150 nan 0.000 0.458 326 T N 0.091 114.718 114.554 0.121 0.000 2.978 326 T HA 0.061 4.411 4.350 -0.000 0.000 0.262 326 T C 1.718 176.499 174.700 0.134 0.000 1.063 326 T CA 0.923 63.145 62.100 0.203 0.000 1.140 326 T CB -0.227 68.795 68.868 0.257 0.000 0.886 326 T HN 0.377 nan 8.240 nan 0.000 0.470 327 L N 0.270 121.564 121.223 0.119 0.000 2.141 327 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 327 L C 1.287 178.206 176.870 0.081 0.000 1.094 327 L CA 0.468 55.349 54.840 0.068 0.000 0.763 327 L CB -0.647 41.448 42.059 0.060 0.000 0.908 327 L HN 0.319 nan 8.230 nan 0.000 0.437 328 H N 0.789 119.857 119.070 -0.002 0.000 3.187 328 H HA 0.157 4.713 4.556 -0.000 0.000 0.286 328 H C 1.126 176.458 175.328 0.006 0.000 0.944 328 H CA 0.344 56.385 56.048 -0.010 0.000 1.429 328 H CB 0.181 29.913 29.762 -0.048 0.000 1.483 328 H HN 0.309 nan 8.280 nan 0.000 0.555 329 G N 2.999 111.590 108.800 -0.348 0.000 2.162 329 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 329 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 329 G C 0.690 175.510 174.900 -0.132 0.000 0.976 329 G CA 0.359 45.276 45.100 -0.306 0.000 0.655 329 G HN 1.030 nan 8.290 nan 0.000 0.533 330 G N -0.506 108.246 108.800 -0.081 0.000 2.507 330 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 330 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 330 G C 0.041 174.904 174.900 -0.062 0.000 1.189 330 G CA 0.123 45.185 45.100 -0.064 0.000 0.859 330 G HN 0.536 nan 8.290 nan 0.000 0.542 331 N N 1.109 119.770 118.700 -0.066 0.000 2.767 331 N HA 0.068 4.808 4.740 -0.000 0.000 0.238 331 N C 0.286 175.755 175.510 -0.069 0.000 1.083 331 N CA -0.684 52.335 53.050 -0.052 0.000 0.964 331 N CB -0.070 38.385 38.487 -0.054 0.000 1.252 331 N HN 0.147 nan 8.380 nan 0.000 0.512 332 I N 1.486 122.005 120.570 -0.086 0.000 2.662 332 I HA -0.013 4.157 4.170 -0.000 0.000 0.285 332 I C 0.809 176.820 176.117 -0.177 0.000 1.161 332 I CA 0.054 61.234 61.300 -0.200 0.000 1.415 332 I CB -0.347 37.426 38.000 -0.379 0.000 1.385 332 I HN 0.374 nan 8.210 nan 0.000 0.552 333 K N 6.863 127.177 120.400 -0.143 0.000 2.292 333 K HA 0.210 4.530 4.320 -0.000 0.000 0.270 333 K C -0.735 175.789 176.600 -0.127 0.000 1.062 333 K CA -0.273 56.010 56.287 -0.007 0.000 0.916 333 K CB 0.225 32.818 32.500 0.156 0.000 1.166 333 K HN 0.364 nan 8.250 nan 0.000 0.458 334 W N 4.547 125.817 121.300 -0.049 0.000 1.830 334 W HA 0.068 4.728 4.660 -0.000 0.000 0.461 334 W C 0.329 176.741 176.519 -0.179 0.000 0.613 334 W CA -0.403 56.870 57.345 -0.120 0.000 2.422 334 W CB -0.662 28.737 29.460 -0.102 0.000 1.059 334 W HN 0.503 nan 8.180 nan 0.000 0.479 335 S N -0.493 115.113 115.700 -0.156 0.000 2.624 335 S HA 0.264 4.734 4.470 -0.000 0.000 0.263 335 S C -1.449 172.974 174.600 -0.295 0.000 1.287 335 S CA -1.090 56.962 58.200 -0.246 0.000 0.990 335 S CB 1.337 64.226 63.200 -0.519 0.000 0.950 335 S HN -0.047 nan 8.310 nan 0.000 0.561 336 P HA -0.017 nan 4.420 nan 0.000 0.217 336 P C 1.574 178.798 177.300 -0.127 0.000 1.150 336 P CA 1.801 64.815 63.100 -0.143 0.000 0.832 336 P CB -0.260 31.479 31.700 0.063 0.000 0.787 337 A N -0.804 121.912 122.820 -0.173 0.000 1.902 337 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 337 A C 2.222 179.656 177.584 -0.251 0.000 1.181 337 A CA 2.129 54.092 52.037 -0.124 0.000 0.623 337 A CB -1.470 17.382 19.000 -0.247 0.000 0.818 337 A HN 0.111 nan 8.150 nan 0.000 0.443 338 M N -0.402 118.871 119.600 -0.545 0.000 2.117 338 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 338 M C 2.048 178.152 176.300 -0.326 0.000 1.065 338 M CA 1.756 56.814 55.300 -0.403 0.000 1.114 338 M CB -0.661 31.650 32.600 -0.482 0.000 1.361 338 M HN 0.436 nan 8.290 nan 0.000 0.408 339 M N -1.916 117.399 119.600 -0.476 0.000 2.117 339 M HA -0.234 4.246 4.480 -0.000 0.000 0.262 339 M C 1.998 177.839 176.300 -0.764 0.000 1.065 339 M CA 1.982 56.792 55.300 -0.816 0.000 1.114 339 M CB -0.741 31.005 32.600 -1.425 0.000 1.361 339 M HN 0.383 nan 8.290 nan 0.000 0.408 340 W N 0.201 121.216 121.300 -0.476 0.000 2.363 340 W HA -0.140 4.520 4.660 -0.000 0.000 0.296 340 W C 2.717 179.345 176.519 0.181 0.000 1.212 340 W CA 1.095 58.407 57.345 -0.056 0.000 1.260 340 W CB -0.428 29.009 29.460 -0.038 0.000 1.131 340 W HN 0.232 nan 8.180 nan 0.000 0.530 341 A N -0.032 122.921 122.820 0.223 0.000 1.930 341 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 341 A C 1.917 179.620 177.584 0.199 0.000 1.175 341 A CA 1.242 53.352 52.037 0.122 0.000 0.627 341 A CB -0.917 18.036 19.000 -0.079 0.000 0.815 341 A HN 0.283 nan 8.150 nan 0.000 0.443 342 L N -0.765 120.542 121.223 0.140 0.000 2.093 342 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 342 L C 2.814 179.925 176.870 0.402 0.000 1.085 342 L CA 1.026 55.981 54.840 0.191 0.000 0.755 342 L CB -0.802 41.300 42.059 0.071 0.000 0.904 342 L HN 0.477 nan 8.230 nan 0.000 0.435 343 G N -0.224 108.912 108.800 0.560 0.000 2.422 343 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 343 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 343 G C 1.485 176.806 174.900 0.702 0.000 1.146 343 G CA 0.529 46.150 45.100 0.867 0.000 0.769 343 G HN 0.290 nan 8.290 nan 0.000 0.547 344 F N 1.596 121.874 119.950 0.545 0.000 2.069 344 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 344 F C 2.488 178.458 175.800 0.284 0.000 1.113 344 F CA 1.352 59.551 58.000 0.332 0.000 1.214 344 F CB -0.295 38.850 39.000 0.242 0.000 0.978 344 F HN 0.111 nan 8.300 nan 0.000 0.474 345 I N -0.634 120.273 120.570 0.563 0.000 2.118 345 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 345 I C 2.385 178.731 176.117 0.381 0.000 1.070 345 I CA 1.892 63.481 61.300 0.482 0.000 1.327 345 I CB -0.745 37.507 38.000 0.420 0.000 1.034 345 I HN 0.253 nan 8.210 nan 0.000 0.405 346 F N 1.568 121.664 119.950 0.244 0.000 2.084 346 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 346 F C 2.219 178.102 175.800 0.138 0.000 1.111 346 F CA 1.588 59.706 58.000 0.197 0.000 1.224 346 F CB -0.433 38.707 39.000 0.232 0.000 0.991 346 F HN -0.148 nan 8.300 nan 0.000 0.471 347 L N -0.960 120.222 121.223 -0.068 0.000 2.083 347 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 347 L C 2.475 179.216 176.870 -0.216 0.000 1.083 347 L CA 1.497 56.200 54.840 -0.228 0.000 0.752 347 L CB -0.985 40.929 42.059 -0.242 0.000 0.899 347 L HN 0.246 nan 8.230 nan 0.000 0.433 348 F N 0.834 120.554 119.950 -0.384 0.000 2.186 348 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 348 F C 2.442 178.135 175.800 -0.178 0.000 1.090 348 F CA 1.776 59.544 58.000 -0.386 0.000 1.307 348 F CB -0.272 38.285 39.000 -0.738 0.000 1.019 348 F HN -0.099 nan 8.300 nan 0.000 0.489 349 T N 0.209 114.656 114.554 -0.179 0.000 2.746 349 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 349 T C 2.142 176.659 174.700 -0.305 0.000 1.039 349 T CA 1.665 63.650 62.100 -0.191 0.000 1.142 349 T CB -0.591 68.264 68.868 -0.022 0.000 0.866 349 T HN 0.131 nan 8.240 nan 0.000 0.444 350 V N 1.285 120.970 119.914 -0.382 0.000 2.295 350 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 350 V C 2.857 178.737 176.094 -0.357 0.000 1.049 350 V CA 2.082 64.143 62.300 -0.398 0.000 1.024 350 V CB -1.315 30.194 31.823 -0.523 0.000 0.648 350 V HN 0.600 nan 8.190 nan 0.000 0.447 351 G N -0.271 108.326 108.800 -0.338 0.000 2.422 351 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 351 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 351 G C 1.598 176.384 174.900 -0.190 0.000 1.146 351 G CA 0.926 45.867 45.100 -0.265 0.000 0.769 351 G HN 0.597 nan 8.290 nan 0.000 0.547 352 G N 0.776 109.317 108.800 -0.431 0.000 2.408 352 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 352 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 352 G C 1.792 176.609 174.900 -0.138 0.000 1.150 352 G CA 0.593 45.509 45.100 -0.307 0.000 0.776 352 G HN 0.419 nan 8.290 nan 0.000 0.542 353 L N 1.187 122.316 121.223 -0.157 0.000 2.046 353 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 353 L C 3.315 180.133 176.870 -0.087 0.000 1.077 353 L CA 1.743 56.520 54.840 -0.105 0.000 0.747 353 L CB -0.755 41.240 42.059 -0.107 0.000 0.896 353 L HN 0.414 nan 8.230 nan 0.000 0.432 354 T N -3.631 110.868 114.554 -0.092 0.000 2.995 354 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 354 T C 1.881 176.490 174.700 -0.151 0.000 1.091 354 T CA 0.808 62.881 62.100 -0.046 0.000 1.128 354 T CB -0.594 68.194 68.868 -0.134 0.000 0.891 354 T HN 0.386 nan 8.240 nan 0.000 0.492 355 G N 1.811 110.437 108.800 -0.290 0.000 2.408 355 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 355 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 355 G C 1.444 176.167 174.900 -0.294 0.000 1.150 355 G CA 0.503 45.227 45.100 -0.625 0.000 0.776 355 G HN 0.451 nan 8.290 nan 0.000 0.542 356 I N 1.062 121.542 120.570 -0.151 0.000 2.394 356 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 356 I C 2.882 178.949 176.117 -0.084 0.000 1.136 356 I CA 0.601 61.845 61.300 -0.093 0.000 1.425 356 I CB -0.830 37.139 38.000 -0.052 0.000 1.079 356 I HN 0.029 nan 8.210 nan 0.000 0.425 357 V N 0.919 120.791 119.914 -0.069 0.000 2.307 357 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 357 V C 2.520 178.562 176.094 -0.086 0.000 1.045 357 V CA 1.398 63.665 62.300 -0.055 0.000 1.024 357 V CB -0.518 31.316 31.823 0.018 0.000 0.651 357 V HN 0.312 nan 8.190 nan 0.000 0.449 358 L N 0.214 121.382 121.223 -0.091 0.000 2.275 358 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 358 L C 2.617 179.454 176.870 -0.055 0.000 1.119 358 L CA 1.118 55.901 54.840 -0.095 0.000 0.790 358 L CB -0.718 41.245 42.059 -0.161 0.000 0.919 358 L HN 0.356 nan 8.230 nan 0.000 0.443 359 A N -0.370 122.400 122.820 -0.083 0.000 2.019 359 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 359 A C 0.972 178.577 177.584 0.035 0.000 1.164 359 A CA 0.842 52.890 52.037 0.018 0.000 0.644 359 A CB -0.536 18.441 19.000 -0.039 0.000 0.805 359 A HN 0.422 nan 8.150 nan 0.000 0.449 360 N N 1.338 119.989 118.700 -0.082 0.000 2.402 360 N HA 0.079 4.819 4.740 -0.000 0.000 0.259 360 N C 1.169 176.477 175.510 -0.336 0.000 1.167 360 N CA 0.716 53.655 53.050 -0.184 0.000 0.949 360 N CB 1.054 39.457 38.487 -0.140 0.000 1.212 360 N HN 0.524 nan 8.380 nan 0.000 0.493 361 S N 1.206 116.478 115.700 -0.712 0.000 2.420 361 S HA -0.184 4.286 4.470 -0.000 0.000 0.237 361 S C 1.829 176.149 174.600 -0.466 0.000 1.023 361 S CA 1.028 58.583 58.200 -1.075 0.000 0.991 361 S CB -0.056 62.229 63.200 -1.525 0.000 0.792 361 S HN 0.408 nan 8.310 nan 0.000 0.488 362 S N 1.994 117.508 115.700 -0.310 0.000 2.343 362 S HA 0.088 4.558 4.470 -0.000 0.000 0.219 362 S C 1.804 176.317 174.600 -0.145 0.000 1.033 362 S CA 1.314 59.403 58.200 -0.185 0.000 1.014 362 S CB -0.633 62.481 63.200 -0.144 0.000 0.915 362 S HN 0.439 nan 8.310 nan 0.000 0.435 363 L N 1.124 122.258 121.223 -0.148 0.000 2.093 363 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 363 L C 2.189 178.991 176.870 -0.112 0.000 1.085 363 L CA 1.442 56.203 54.840 -0.131 0.000 0.755 363 L CB -0.473 41.496 42.059 -0.150 0.000 0.904 363 L HN 0.311 nan 8.230 nan 0.000 0.435 364 D N -0.219 120.122 120.400 -0.098 0.000 2.263 364 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 364 D C 2.100 178.427 176.300 0.044 0.000 0.971 364 D CA 0.645 54.646 54.000 0.002 0.000 0.867 364 D CB 0.209 41.086 40.800 0.128 0.000 0.929 364 D HN 0.126 nan 8.370 nan 0.000 0.492 365 I N 0.124 120.687 120.570 -0.012 0.000 2.163 365 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 365 I C 2.261 178.405 176.117 0.044 0.000 1.085 365 I CA 0.870 62.182 61.300 0.020 0.000 1.347 365 I CB -1.026 36.965 38.000 -0.015 0.000 1.044 365 I HN 0.062 nan 8.210 nan 0.000 0.408 366 V N 0.474 120.389 119.914 0.002 0.000 2.788 366 V HA -0.110 4.010 4.120 -0.000 0.000 0.251 366 V C 2.325 178.413 176.094 -0.010 0.000 1.068 366 V CA 0.931 63.228 62.300 -0.004 0.000 1.090 366 V CB -0.221 31.582 31.823 -0.033 0.000 0.710 366 V HN 0.311 nan 8.190 nan 0.000 0.467 367 L N -1.226 119.980 121.223 -0.029 0.000 2.375 367 L HA 0.149 4.489 4.340 -0.000 0.000 0.215 367 L C 1.288 178.185 176.870 0.045 0.000 1.108 367 L CA 0.035 54.851 54.840 -0.039 0.000 0.830 367 L CB -0.430 41.528 42.059 -0.167 0.000 0.959 367 L HN 0.366 nan 8.230 nan 0.000 0.457 368 H N 1.154 120.228 119.070 0.007 0.000 2.972 368 H HA -0.100 4.456 4.556 -0.000 0.000 0.343 368 H C 0.471 175.817 175.328 0.029 0.000 1.054 368 H CA 0.533 56.599 56.048 0.029 0.000 1.412 368 H CB 0.188 29.977 29.762 0.044 0.000 1.385 368 H HN 0.111 nan 8.280 nan 0.000 0.600 369 D N 1.966 121.870 120.400 -0.826 0.000 2.837 369 D HA -0.208 4.432 4.640 -0.000 0.000 0.230 369 D C -0.370 175.787 176.300 -0.238 0.000 1.152 369 D CA 1.446 55.131 54.000 -0.524 0.000 0.736 369 D CB -0.829 39.699 40.800 -0.454 0.000 1.084 369 D HN 0.754 nan 8.370 nan 0.000 0.429 370 T N -4.240 110.220 114.554 -0.156 0.000 2.910 370 T HA 0.434 4.784 4.350 -0.000 0.000 0.287 370 T C 0.987 175.651 174.700 -0.061 0.000 1.050 370 T CA -0.736 61.320 62.100 -0.073 0.000 1.011 370 T CB 0.913 69.778 68.868 -0.005 0.000 1.195 370 T HN -0.045 nan 8.240 nan 0.000 0.540 371 Y N -0.544 119.699 120.300 -0.094 0.000 2.680 371 Y HA 0.055 4.605 4.550 -0.000 0.000 0.303 371 Y C 1.902 177.737 175.900 -0.108 0.000 1.166 371 Y CA 0.600 58.636 58.100 -0.107 0.000 1.344 371 Y CB -0.389 37.983 38.460 -0.146 0.000 1.002 371 Y HN 0.811 nan 8.280 nan 0.000 0.537 372 Y N -0.983 119.284 120.300 -0.055 0.000 2.242 372 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 372 Y C 2.107 177.948 175.900 -0.098 0.000 1.137 372 Y CA 1.267 59.318 58.100 -0.082 0.000 1.181 372 Y CB -0.196 38.239 38.460 -0.041 0.000 0.989 372 Y HN -0.093 nan 8.280 nan 0.000 0.527 373 V N -1.217 118.738 119.914 0.068 0.000 2.358 373 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 373 V C 2.230 178.240 176.094 -0.140 0.000 1.047 373 V CA 1.658 64.006 62.300 0.081 0.000 1.035 373 V CB -0.777 31.127 31.823 0.135 0.000 0.658 373 V HN 0.286 nan 8.190 nan 0.000 0.452 374 V N 0.591 120.272 119.914 -0.389 0.000 2.407 374 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 374 V C 2.696 178.340 176.094 -0.750 0.000 1.055 374 V CA 1.973 63.733 62.300 -0.901 0.000 1.049 374 V CB -1.264 30.164 31.823 -0.658 0.000 0.662 374 V HN 0.547 nan 8.190 nan 0.000 0.455 375 A N 0.017 122.543 122.820 -0.490 0.000 1.873 375 A HA -0.273 4.047 4.320 -0.000 0.000 0.215 375 A C 2.143 179.458 177.584 -0.449 0.000 1.186 375 A CA 2.188 53.907 52.037 -0.530 0.000 0.616 375 A CB -0.859 17.543 19.000 -0.996 0.000 0.823 375 A HN 0.749 nan 8.150 nan 0.000 0.442 376 H N 0.289 119.062 119.070 -0.496 0.000 2.265 376 H HA -0.239 4.317 4.556 -0.000 0.000 0.295 376 H C 1.711 176.924 175.328 -0.192 0.000 1.084 376 H CA 2.568 58.428 56.048 -0.313 0.000 1.261 376 H CB -0.849 28.791 29.762 -0.202 0.000 1.360 376 H HN 0.597 nan 8.280 nan 0.000 0.487 377 F N -1.307 118.300 119.950 -0.572 0.000 2.365 377 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 377 F C 1.829 177.254 175.800 -0.626 0.000 1.090 377 F CA 1.037 58.633 58.000 -0.674 0.000 1.408 377 F CB -0.685 38.045 39.000 -0.450 0.000 1.060 377 F HN 0.198 nan 8.300 nan 0.000 0.534 378 H N -1.796 116.868 119.070 -0.677 0.000 2.512 378 H HA 0.020 4.576 4.556 -0.000 0.000 0.279 378 H C 1.373 176.270 175.328 -0.717 0.000 0.999 378 H CA 1.497 57.025 56.048 -0.867 0.000 1.283 378 H CB -0.220 28.432 29.762 -1.851 0.000 1.421 378 H HN 0.262 nan 8.280 nan 0.000 0.554 379 Y N 0.017 120.009 120.300 -0.513 0.000 2.220 379 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 379 Y C 2.482 178.157 175.900 -0.376 0.000 1.129 379 Y CA 1.310 59.168 58.100 -0.404 0.000 1.161 379 Y CB -0.156 38.095 38.460 -0.348 0.000 0.997 379 Y HN 0.146 nan 8.280 nan 0.000 0.522 380 V N -2.819 116.943 119.914 -0.253 0.000 2.719 380 V HA -0.105 4.015 4.120 -0.000 0.000 0.252 380 V C 1.704 177.731 176.094 -0.113 0.000 1.065 380 V CA 1.295 63.492 62.300 -0.171 0.000 1.086 380 V CB -0.631 31.051 31.823 -0.235 0.000 0.700 380 V HN 0.328 nan 8.190 nan 0.000 0.467 381 L N -0.116 120.986 121.223 -0.201 0.000 2.265 381 L HA 0.159 4.499 4.340 -0.000 0.000 0.195 381 L C 2.694 179.492 176.870 -0.119 0.000 1.083 381 L CA 1.319 56.057 54.840 -0.171 0.000 0.798 381 L CB -0.411 41.500 42.059 -0.247 0.000 0.989 381 L HN 0.276 nan 8.230 nan 0.000 0.472 382 S N -0.923 114.676 115.700 -0.169 0.000 2.522 382 S HA 0.048 4.518 4.470 -0.000 0.000 0.227 382 S C 1.683 176.244 174.600 -0.066 0.000 0.986 382 S CA 0.887 59.055 58.200 -0.054 0.000 0.929 382 S CB 0.105 63.290 63.200 -0.026 0.000 0.769 382 S HN 0.229 nan 8.310 nan 0.000 0.529 383 M N -1.009 118.427 119.600 -0.275 0.000 2.879 383 M HA 0.272 4.752 4.480 -0.000 0.000 0.241 383 M C 2.270 178.330 176.300 -0.401 0.000 1.523 383 M CA 0.692 55.620 55.300 -0.621 0.000 1.195 383 M CB -0.578 31.528 32.600 -0.824 0.000 1.277 383 M HN 0.308 nan 8.290 nan 0.000 0.557 384 G N 0.696 109.371 108.800 -0.208 0.000 2.575 384 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.215 384 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.215 384 G C 1.564 176.670 174.900 0.343 0.000 1.262 384 G CA 1.147 46.215 45.100 -0.053 0.000 0.807 384 G HN 0.456 nan 8.290 nan 0.000 0.567 385 A N -0.270 122.668 122.820 0.196 0.000 1.892 385 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 385 A C 2.635 180.336 177.584 0.196 0.000 1.188 385 A CA 2.307 54.443 52.037 0.164 0.000 0.631 385 A CB -0.908 18.104 19.000 0.021 0.000 0.822 385 A HN 0.334 nan 8.150 nan 0.000 0.447 386 V N -1.254 118.783 119.914 0.205 0.000 2.343 386 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 386 V C 2.327 178.630 176.094 0.347 0.000 1.051 386 V CA 2.028 64.473 62.300 0.243 0.000 1.036 386 V CB -0.889 31.094 31.823 0.267 0.000 0.654 386 V HN 0.637 nan 8.190 nan 0.000 0.451 387 F N 0.168 120.251 119.950 0.223 0.000 2.186 387 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 387 F C 2.480 178.389 175.800 0.182 0.000 1.090 387 F CA 0.789 58.996 58.000 0.345 0.000 1.307 387 F CB -0.362 39.031 39.000 0.655 0.000 1.019 387 F HN 0.155 nan 8.300 nan 0.000 0.489 388 A N 0.607 123.650 122.820 0.372 0.000 1.902 388 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 388 A C 2.101 179.660 177.584 -0.040 0.000 1.181 388 A CA 1.418 53.478 52.037 0.039 0.000 0.623 388 A CB -0.971 17.991 19.000 -0.065 0.000 0.818 388 A HN 0.389 nan 8.150 nan 0.000 0.443 389 I N -0.770 119.812 120.570 0.021 0.000 2.226 389 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 389 I C 2.595 178.715 176.117 0.005 0.000 1.100 389 I CA 1.131 62.458 61.300 0.045 0.000 1.374 389 I CB -0.251 37.827 38.000 0.130 0.000 1.057 389 I HN 0.264 nan 8.210 nan 0.000 0.413 390 M N 0.205 119.659 119.600 -0.243 0.000 2.117 390 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 390 M C 2.425 178.409 176.300 -0.527 0.000 1.065 390 M CA 1.822 56.760 55.300 -0.603 0.000 1.114 390 M CB -1.966 29.599 32.600 -1.725 0.000 1.361 390 M HN 0.301 nan 8.290 nan 0.000 0.408 391 G N -0.189 108.367 108.800 -0.407 0.000 2.421 391 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 391 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 391 G C 1.594 176.475 174.900 -0.032 0.000 1.171 391 G CA 1.088 46.133 45.100 -0.092 0.000 0.775 391 G HN 0.549 nan 8.290 nan 0.000 0.543 392 G N 0.168 108.929 108.800 -0.066 0.000 2.422 392 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 392 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 392 G C 1.622 176.715 174.900 0.321 0.000 1.146 392 G CA 0.876 45.965 45.100 -0.017 0.000 0.769 392 G HN 0.349 nan 8.290 nan 0.000 0.547 393 F N 1.834 121.964 119.950 0.300 0.000 2.102 393 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 393 F C 2.744 178.685 175.800 0.235 0.000 1.105 393 F CA 1.929 60.204 58.000 0.459 0.000 1.239 393 F CB -0.331 38.857 39.000 0.314 0.000 0.991 393 F HN 0.071 nan 8.300 nan 0.000 0.474 394 V N -1.500 118.486 119.914 0.121 0.000 2.548 394 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 394 V C 2.382 178.478 176.094 0.003 0.000 1.055 394 V CA 2.269 64.578 62.300 0.014 0.000 1.065 394 V CB -1.315 30.595 31.823 0.144 0.000 0.681 394 V HN 0.513 nan 8.190 nan 0.000 0.462 395 H N -0.718 118.291 119.070 -0.102 0.000 2.326 395 H HA -0.087 4.469 4.556 -0.000 0.000 0.301 395 H C 1.803 176.988 175.328 -0.238 0.000 1.081 395 H CA 2.352 58.268 56.048 -0.221 0.000 1.334 395 H CB -0.219 29.253 29.762 -0.482 0.000 1.385 395 H HN 0.562 nan 8.280 nan 0.000 0.504 396 W N -0.410 120.656 121.300 -0.389 0.000 3.211 396 W HA 0.048 4.708 4.660 -0.000 0.000 0.292 396 W C 1.540 177.351 176.519 -1.181 0.000 1.268 396 W CA -0.261 56.540 57.345 -0.907 0.000 1.702 396 W CB -0.776 28.017 29.460 -1.112 0.000 1.092 396 W HN 0.207 nan 8.180 nan 0.000 0.643 397 F N 2.815 122.333 119.950 -0.721 0.000 2.091 397 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 397 F C -0.741 174.767 175.800 -0.487 0.000 1.103 397 F CA 1.893 59.457 58.000 -0.727 0.000 1.228 397 F CB -1.437 37.089 39.000 -0.791 0.000 0.984 397 F HN -0.256 nan 8.300 nan 0.000 0.477 398 P HA -0.186 nan 4.420 nan 0.000 0.218 398 P C 1.792 178.923 177.300 -0.282 0.000 1.148 398 P CA 1.344 64.328 63.100 -0.192 0.000 0.822 398 P CB -0.122 31.634 31.700 0.093 0.000 0.784 399 L N -1.637 119.286 121.223 -0.500 0.000 2.027 399 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 399 L C 1.975 178.501 176.870 -0.574 0.000 1.074 399 L CA 2.020 56.427 54.840 -0.722 0.000 0.745 399 L CB -1.335 39.854 42.059 -1.450 0.000 0.898 399 L HN -0.166 nan 8.230 nan 0.000 0.433 400 F N -0.222 119.220 119.950 -0.847 0.000 2.186 400 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 400 F C 2.811 178.275 175.800 -0.559 0.000 1.090 400 F CA 1.035 58.394 58.000 -1.068 0.000 1.307 400 F CB -1.678 36.601 39.000 -1.202 0.000 1.019 400 F HN 0.388 nan 8.300 nan 0.000 0.489 401 S N -1.481 113.917 115.700 -0.502 0.000 2.483 401 S HA 0.411 4.881 4.470 -0.000 0.000 0.221 401 S C 1.869 176.149 174.600 -0.534 0.000 1.030 401 S CA 0.531 58.456 58.200 -0.458 0.000 0.925 401 S CB 0.256 62.953 63.200 -0.839 0.000 0.795 401 S HN 0.539 nan 8.310 nan 0.000 0.511 402 G N -0.048 108.455 108.800 -0.496 0.000 2.175 402 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 402 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 402 G C -0.233 174.399 174.900 -0.446 0.000 0.982 402 G CA 0.339 45.175 45.100 -0.440 0.000 0.641 402 G HN 0.533 nan 8.290 nan 0.000 0.527 403 Y N 0.850 121.023 120.300 -0.211 0.000 2.549 403 Y HA 0.701 5.251 4.550 -0.000 0.000 0.339 403 Y C 0.868 176.746 175.900 -0.035 0.000 1.053 403 Y CA -0.636 57.394 58.100 -0.117 0.000 1.105 403 Y CB 1.616 39.996 38.460 -0.133 0.000 1.258 403 Y HN 0.302 nan 8.280 nan 0.000 0.478 404 T N -0.114 114.567 114.554 0.210 0.000 2.929 404 T HA 0.764 5.114 4.350 -0.000 0.000 0.284 404 T C -0.368 174.410 174.700 0.130 0.000 1.014 404 T CA -0.830 61.366 62.100 0.161 0.000 1.051 404 T CB 0.820 69.745 68.868 0.094 0.000 1.028 404 T HN 0.485 nan 8.240 nan 0.000 0.485 405 L N 1.844 123.115 121.223 0.080 0.000 2.469 405 L HA 0.447 4.787 4.340 -0.000 0.000 0.253 405 L C 1.038 177.923 176.870 0.026 0.000 1.143 405 L CA -1.183 53.635 54.840 -0.038 0.000 0.804 405 L CB 0.526 42.511 42.059 -0.123 0.000 1.214 405 L HN 0.708 nan 8.230 nan 0.000 0.476 406 N N 0.591 119.325 118.700 0.056 0.000 2.406 406 N HA -0.002 4.738 4.740 -0.000 0.000 0.251 406 N C -0.004 175.600 175.510 0.156 0.000 1.069 406 N CA -0.135 52.999 53.050 0.140 0.000 0.947 406 N CB 1.222 39.887 38.487 0.296 0.000 1.111 406 N HN 0.528 nan 8.380 nan 0.000 0.497 407 D N 2.258 122.719 120.400 0.101 0.000 2.149 407 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 407 D C 1.245 177.604 176.300 0.098 0.000 0.990 407 D CA 1.621 55.675 54.000 0.089 0.000 0.839 407 D CB 0.166 40.998 40.800 0.052 0.000 0.948 407 D HN 0.564 nan 8.370 nan 0.000 0.460 408 T N -0.831 113.761 114.554 0.063 0.000 2.708 408 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 408 T C 1.753 176.507 174.700 0.091 0.000 1.037 408 T CA 1.008 63.111 62.100 0.006 0.000 1.146 408 T CB -0.561 68.238 68.868 -0.115 0.000 0.865 408 T HN 0.345 nan 8.240 nan 0.000 0.435 409 W N 1.276 122.636 121.300 0.101 0.000 2.342 409 W HA -0.038 4.622 4.660 -0.000 0.000 0.297 409 W C 2.839 179.465 176.519 0.178 0.000 1.213 409 W CA 0.497 57.932 57.345 0.150 0.000 1.251 409 W CB -0.265 29.292 29.460 0.161 0.000 1.136 409 W HN 0.223 nan 8.180 nan 0.000 0.526 410 A N 0.327 123.382 122.820 0.392 0.000 1.972 410 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 410 A C 1.821 179.612 177.584 0.346 0.000 1.169 410 A CA 1.670 53.926 52.037 0.364 0.000 0.635 410 A CB -0.538 18.621 19.000 0.265 0.000 0.810 410 A HN 0.298 nan 8.150 nan 0.000 0.446 411 K N -0.584 119.947 120.400 0.218 0.000 2.155 411 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 411 K C 1.678 178.385 176.600 0.178 0.000 1.052 411 K CA 1.132 57.502 56.287 0.139 0.000 0.948 411 K CB -0.245 32.289 32.500 0.057 0.000 0.728 411 K HN 0.511 nan 8.250 nan 0.000 0.448 412 I N 0.596 121.297 120.570 0.219 0.000 2.252 412 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 412 I C 2.676 178.942 176.117 0.248 0.000 1.102 412 I CA 1.153 62.582 61.300 0.215 0.000 1.385 412 I CB -0.369 37.803 38.000 0.288 0.000 1.064 412 I HN 0.325 nan 8.210 nan 0.000 0.414 413 H N 0.838 120.070 119.070 0.269 0.000 2.319 413 H HA -0.283 4.273 4.556 -0.000 0.000 0.299 413 H C 2.284 177.726 175.328 0.189 0.000 1.092 413 H CA 2.289 58.501 56.048 0.274 0.000 1.302 413 H CB -0.209 29.768 29.762 0.358 0.000 1.373 413 H HN 0.328 nan 8.280 nan 0.000 0.497 414 F N 1.542 121.356 119.950 -0.227 0.000 2.095 414 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 414 F C 2.665 178.205 175.800 -0.434 0.000 1.104 414 F CA 1.842 59.375 58.000 -0.778 0.000 1.232 414 F CB -0.869 37.526 39.000 -1.008 0.000 0.987 414 F HN 0.228 nan 8.300 nan 0.000 0.475 415 A N 0.987 123.580 122.820 -0.379 0.000 1.883 415 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 415 A C 2.323 179.779 177.584 -0.214 0.000 1.186 415 A CA 2.207 54.044 52.037 -0.334 0.000 0.624 415 A CB -1.335 17.608 19.000 -0.095 0.000 0.822 415 A HN 0.535 nan 8.150 nan 0.000 0.444 416 I N -1.602 118.899 120.570 -0.114 0.000 2.179 416 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 416 I C 2.653 178.735 176.117 -0.059 0.000 1.088 416 I CA 1.969 63.247 61.300 -0.037 0.000 1.357 416 I CB -0.306 37.718 38.000 0.040 0.000 1.051 416 I HN 0.381 nan 8.210 nan 0.000 0.409 417 M N 0.470 119.987 119.600 -0.138 0.000 2.159 417 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 417 M C 2.070 178.367 176.300 -0.005 0.000 1.063 417 M CA 1.826 57.092 55.300 -0.057 0.000 1.110 417 M CB -0.637 31.935 32.600 -0.046 0.000 1.374 417 M HN 0.191 nan 8.290 nan 0.000 0.411 418 F N -0.624 119.125 119.950 -0.335 0.000 2.134 418 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 418 F C 1.856 177.606 175.800 -0.083 0.000 1.097 418 F CA 1.739 59.609 58.000 -0.216 0.000 1.264 418 F CB -0.338 38.296 39.000 -0.610 0.000 1.001 418 F HN -0.037 nan 8.300 nan 0.000 0.479 419 V N 0.140 120.107 119.914 0.087 0.000 2.307 419 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 419 V C 2.728 178.812 176.094 -0.017 0.000 1.045 419 V CA 1.868 64.199 62.300 0.052 0.000 1.024 419 V CB -1.597 30.259 31.823 0.056 0.000 0.651 419 V HN 0.530 nan 8.190 nan 0.000 0.449 420 G N 0.794 109.589 108.800 -0.009 0.000 2.480 420 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G C 1.779 176.638 174.900 -0.069 0.000 1.200 420 G CA 1.818 46.907 45.100 -0.018 0.000 0.782 420 G HN 0.575 nan 8.290 nan 0.000 0.554 421 V N -0.626 119.267 119.914 -0.035 0.000 2.407 421 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 421 V C 2.240 178.263 176.094 -0.118 0.000 1.055 421 V CA 2.205 64.491 62.300 -0.024 0.000 1.049 421 V CB -0.658 31.224 31.823 0.097 0.000 0.662 421 V HN 0.278 nan 8.190 nan 0.000 0.455 422 N N 0.140 118.724 118.700 -0.194 0.000 2.216 422 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 422 N C 1.858 177.352 175.510 -0.027 0.000 1.017 422 N CA 2.067 55.027 53.050 -0.149 0.000 0.861 422 N CB -0.221 38.120 38.487 -0.243 0.000 0.986 422 N HN 0.608 nan 8.380 nan 0.000 0.428 423 M N 0.818 120.384 119.600 -0.056 0.000 2.229 423 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 423 M C 1.600 177.840 176.300 -0.100 0.000 1.063 423 M CA 1.212 56.501 55.300 -0.020 0.000 1.114 423 M CB -0.041 32.553 32.600 -0.010 0.000 1.387 423 M HN -0.021 nan 8.290 nan 0.000 0.420 424 T N 0.217 114.608 114.554 -0.272 0.000 2.701 424 T HA -0.072 4.278 4.350 -0.000 0.000 0.263 424 T C 1.186 175.491 174.700 -0.659 0.000 1.040 424 T CA 1.649 63.400 62.100 -0.581 0.000 1.147 424 T CB -0.364 67.864 68.868 -1.067 0.000 0.865 424 T HN 0.435 nan 8.240 nan 0.000 0.426 425 F N -0.523 119.351 119.950 -0.126 0.000 2.656 425 F HA 0.315 4.842 4.527 -0.000 0.000 0.291 425 F C 1.834 177.597 175.800 -0.062 0.000 1.122 425 F CA -0.456 57.461 58.000 -0.140 0.000 1.427 425 F CB -0.306 38.570 39.000 -0.207 0.000 1.125 425 F HN 0.019 nan 8.300 nan 0.000 0.583 426 F N 2.778 122.771 119.950 0.072 0.000 2.095 426 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 426 F C -0.863 174.726 175.800 -0.351 0.000 1.104 426 F CA 1.186 59.198 58.000 0.020 0.000 1.232 426 F CB -1.636 37.375 39.000 0.019 0.000 0.987 426 F HN -0.146 nan 8.300 nan 0.000 0.475 427 P HA -0.161 nan 4.420 nan 0.000 0.222 427 P C 1.109 178.050 177.300 -0.598 0.000 1.147 427 P CA 1.501 64.217 63.100 -0.641 0.000 0.790 427 P CB -0.199 31.437 31.700 -0.108 0.000 0.780 428 Q N -1.766 117.779 119.800 -0.424 0.000 2.364 428 Q HA -0.182 4.158 4.340 -0.000 0.000 0.207 428 Q C 1.652 177.425 176.000 -0.377 0.000 0.970 428 Q CA 1.049 56.676 55.803 -0.294 0.000 0.888 428 Q CB -0.605 28.078 28.738 -0.091 0.000 0.951 428 Q HN 0.536 nan 8.270 nan 0.000 0.469 429 H N -0.757 117.939 119.070 -0.623 0.000 2.357 429 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 429 H C 1.465 176.635 175.328 -0.262 0.000 1.082 429 H CA 1.543 57.245 56.048 -0.577 0.000 1.342 429 H CB 0.046 29.247 29.762 -0.934 0.000 1.389 429 H HN 0.193 nan 8.280 nan 0.000 0.511 430 F N 0.435 120.241 119.950 -0.240 0.000 2.102 430 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 430 F C 2.261 178.043 175.800 -0.030 0.000 1.105 430 F CA 0.873 58.737 58.000 -0.228 0.000 1.239 430 F CB -1.080 37.524 39.000 -0.659 0.000 0.991 430 F HN 0.087 nan 8.300 nan 0.000 0.474 431 L N -0.311 120.987 121.223 0.126 0.000 2.079 431 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 431 L C 2.706 179.613 176.870 0.061 0.000 1.081 431 L CA 1.427 56.322 54.840 0.092 0.000 0.752 431 L CB -1.364 40.620 42.059 -0.126 0.000 0.896 431 L HN 0.294 nan 8.230 nan 0.000 0.433 432 G N -0.065 108.803 108.800 0.113 0.000 2.404 432 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 432 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 432 G C 1.602 176.589 174.900 0.146 0.000 1.189 432 G CA 0.300 45.498 45.100 0.162 0.000 0.789 432 G HN 0.196 nan 8.290 nan 0.000 0.533 433 L N 1.647 122.980 121.223 0.184 0.000 2.042 433 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 433 L C 3.081 180.018 176.870 0.112 0.000 1.076 433 L CA 1.637 56.537 54.840 0.100 0.000 0.749 433 L CB -0.450 41.687 42.059 0.130 0.000 0.893 433 L HN 0.439 nan 8.230 nan 0.000 0.432 434 S N -0.876 114.934 115.700 0.184 0.000 2.607 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 434 S C 1.418 176.185 174.600 0.279 0.000 0.969 434 S CA 0.389 58.734 58.200 0.243 0.000 0.927 434 S CB 0.363 63.772 63.200 0.348 0.000 0.772 434 S HN 0.589 nan 8.310 nan 0.000 0.533 435 G N 0.956 109.849 108.800 0.155 0.000 2.144 435 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 435 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 435 G C -0.117 174.739 174.900 -0.072 0.000 0.988 435 G CA 0.018 45.175 45.100 0.094 0.000 0.659 435 G HN 0.583 nan 8.290 nan 0.000 0.522 436 M N 1.668 121.063 119.600 -0.341 0.000 2.227 436 M HA 0.390 4.870 4.480 -0.000 0.000 0.349 436 M C -2.124 174.030 176.300 -0.243 0.000 1.443 436 M CA -1.387 53.554 55.300 -0.598 0.000 1.110 436 M CB 0.704 32.784 32.600 -0.868 0.000 1.773 436 M HN -0.013 nan 8.290 nan 0.000 0.463 437 P HA 0.209 nan 4.420 nan 0.000 0.274 437 P C -1.118 175.997 177.300 -0.308 0.000 1.237 437 P CA -0.188 62.630 63.100 -0.471 0.000 0.793 437 P CB 0.598 31.708 31.700 -0.984 0.000 0.977 438 R N 1.252 121.616 120.500 -0.228 0.000 2.560 438 R HA 0.357 4.697 4.340 -0.000 0.000 0.270 438 R C 0.436 176.766 176.300 0.051 0.000 1.074 438 R CA -0.433 55.583 56.100 -0.141 0.000 1.140 438 R CB 0.154 30.354 30.300 -0.166 0.000 1.073 438 R HN 0.398 nan 8.270 nan 0.000 0.527 439 R N -0.376 120.259 120.500 0.223 0.000 3.770 439 R HA -0.231 4.109 4.340 -0.000 0.000 0.305 439 R C -1.087 175.579 176.300 0.611 0.000 1.184 439 R CA 0.821 57.167 56.100 0.410 0.000 0.823 439 R CB -1.988 28.471 30.300 0.263 0.000 1.285 439 R HN 0.559 nan 8.270 nan 0.000 0.499 440 Y N -0.602 119.857 120.300 0.264 0.000 2.330 440 Y HA 0.145 4.695 4.550 -0.000 0.000 0.336 440 Y C 1.699 177.414 175.900 -0.309 0.000 1.036 440 Y CA -0.262 57.874 58.100 0.061 0.000 1.125 440 Y CB 1.593 40.113 38.460 0.100 0.000 1.194 440 Y HN 0.183 nan 8.280 nan 0.000 0.469 441 S N 0.165 115.590 115.700 -0.459 0.000 2.496 441 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 441 S C -0.101 174.268 174.600 -0.385 0.000 0.996 441 S CA 0.378 58.060 58.200 -0.862 0.000 0.927 441 S CB 0.189 63.055 63.200 -0.557 0.000 0.774 441 S HN 0.696 nan 8.310 nan 0.000 0.524 442 D N -0.458 119.808 120.400 -0.223 0.000 2.609 442 D HA 0.535 5.175 4.640 -0.000 0.000 0.239 442 D C -1.576 174.679 176.300 -0.075 0.000 1.229 442 D CA -0.791 53.044 54.000 -0.274 0.000 0.808 442 D CB 1.691 42.311 40.800 -0.299 0.000 1.448 442 D HN 0.249 nan 8.370 nan 0.000 0.433 443 Y N -1.664 118.686 120.300 0.083 0.000 2.609 443 Y HA 0.774 5.324 4.550 -0.000 0.000 0.342 443 Y C -2.681 173.346 175.900 0.213 0.000 1.058 443 Y CA -2.540 55.685 58.100 0.210 0.000 1.055 443 Y CB -0.149 38.435 38.460 0.207 0.000 1.292 443 Y HN 0.059 nan 8.280 nan 0.000 0.476 444 P HA 0.070 nan 4.420 nan 0.000 0.268 444 P C 0.056 177.502 177.300 0.244 0.000 1.208 444 P CA 0.208 63.467 63.100 0.264 0.000 0.777 444 P CB 0.839 32.681 31.700 0.238 0.000 0.875 445 D N 1.683 122.131 120.400 0.079 0.000 2.172 445 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 445 D C 1.854 178.150 176.300 -0.006 0.000 0.999 445 D CA 1.915 55.947 54.000 0.052 0.000 0.856 445 D CB -0.674 40.120 40.800 -0.009 0.000 0.934 445 D HN 0.387 nan 8.370 nan 0.000 0.453 446 A N 0.007 122.730 122.820 -0.162 0.000 2.024 446 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 446 A C 1.416 178.825 177.584 -0.292 0.000 1.164 446 A CA 1.033 52.898 52.037 -0.288 0.000 0.643 446 A CB -0.869 17.873 19.000 -0.429 0.000 0.806 446 A HN 0.294 nan 8.150 nan 0.000 0.451 447 Y N 0.181 120.505 120.300 0.039 0.000 2.490 447 Y HA 0.046 4.596 4.550 -0.000 0.000 0.281 447 Y C 2.402 178.163 175.900 -0.231 0.000 1.174 447 Y CA 0.570 58.617 58.100 -0.087 0.000 1.295 447 Y CB -1.087 37.278 38.460 -0.158 0.000 1.062 447 Y HN 0.222 nan 8.280 nan 0.000 0.522 448 T N 0.196 114.778 114.554 0.045 0.000 2.684 448 T HA -0.305 4.045 4.350 -0.000 0.000 0.267 448 T C 2.080 176.721 174.700 -0.098 0.000 1.036 448 T CA 1.792 63.928 62.100 0.059 0.000 1.148 448 T CB -0.256 68.676 68.868 0.106 0.000 0.863 448 T HN 0.442 nan 8.240 nan 0.000 0.436 449 M N -0.399 119.050 119.600 -0.250 0.000 2.065 449 M HA -0.129 4.351 4.480 -0.000 0.000 0.259 449 M C 1.975 178.138 176.300 -0.228 0.000 1.069 449 M CA 1.926 57.002 55.300 -0.374 0.000 1.110 449 M CB -0.282 31.879 32.600 -0.731 0.000 1.328 449 M HN 0.415 nan 8.290 nan 0.000 0.405 450 W N 0.418 121.709 121.300 -0.015 0.000 2.363 450 W HA -0.142 4.518 4.660 -0.000 0.000 0.296 450 W C 2.197 178.645 176.519 -0.119 0.000 1.212 450 W CA 0.183 57.520 57.345 -0.013 0.000 1.260 450 W CB -0.650 28.842 29.460 0.052 0.000 1.131 450 W HN 0.336 nan 8.180 nan 0.000 0.530 451 N N -0.094 118.587 118.700 -0.032 0.000 2.244 451 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 451 N C 1.513 176.989 175.510 -0.056 0.000 1.016 451 N CA 1.875 54.817 53.050 -0.180 0.000 0.866 451 N CB -0.461 37.721 38.487 -0.507 0.000 0.980 451 N HN 0.111 nan 8.380 nan 0.000 0.430 452 T N 1.917 116.459 114.554 -0.019 0.000 2.701 452 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 452 T C 2.144 176.846 174.700 0.004 0.000 1.040 452 T CA 0.640 62.736 62.100 -0.006 0.000 1.147 452 T CB -0.092 68.765 68.868 -0.019 0.000 0.865 452 T HN 0.162 nan 8.240 nan 0.000 0.426 453 I N 1.088 121.691 120.570 0.056 0.000 2.226 453 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 453 I C 2.804 178.944 176.117 0.037 0.000 1.100 453 I CA 1.013 62.367 61.300 0.089 0.000 1.374 453 I CB -0.445 37.694 38.000 0.232 0.000 1.057 453 I HN 0.251 nan 8.210 nan 0.000 0.413 454 S N 0.300 116.007 115.700 0.012 0.000 2.368 454 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 454 S C 2.211 176.750 174.600 -0.103 0.000 1.030 454 S CA 2.109 60.253 58.200 -0.092 0.000 0.999 454 S CB -0.178 62.939 63.200 -0.137 0.000 0.844 454 S HN 0.409 nan 8.310 nan 0.000 0.459 455 S N 1.019 116.690 115.700 -0.049 0.000 2.402 455 S HA 0.045 4.515 4.470 -0.000 0.000 0.229 455 S C 1.834 176.447 174.600 0.023 0.000 1.021 455 S CA 1.330 59.529 58.200 -0.002 0.000 0.974 455 S CB -0.328 62.879 63.200 0.013 0.000 0.800 455 S HN 0.524 nan 8.310 nan 0.000 0.484 456 M N 0.858 120.441 119.600 -0.027 0.000 2.156 456 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 456 M C 2.499 178.825 176.300 0.043 0.000 1.067 456 M CA 1.353 56.634 55.300 -0.031 0.000 1.131 456 M CB -0.753 31.822 32.600 -0.043 0.000 1.368 456 M HN 0.443 nan 8.290 nan 0.000 0.416 457 G N 0.048 108.845 108.800 -0.004 0.000 2.422 457 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 457 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 457 G C 1.625 176.508 174.900 -0.029 0.000 1.146 457 G CA 1.282 46.362 45.100 -0.034 0.000 0.769 457 G HN 0.559 nan 8.290 nan 0.000 0.547 458 S N -0.230 115.455 115.700 -0.026 0.000 2.419 458 S HA 0.012 4.482 4.470 -0.000 0.000 0.233 458 S C 2.083 176.731 174.600 0.080 0.000 1.016 458 S CA 0.826 59.017 58.200 -0.014 0.000 0.974 458 S CB -0.524 62.663 63.200 -0.022 0.000 0.786 458 S HN 0.308 nan 8.310 nan 0.000 0.492 459 F N 1.259 121.183 119.950 -0.044 0.000 2.259 459 F HA 0.246 4.773 4.527 -0.000 0.000 0.298 459 F C 2.152 177.949 175.800 -0.005 0.000 1.088 459 F CA 0.693 58.682 58.000 -0.017 0.000 1.358 459 F CB -0.161 38.832 39.000 -0.012 0.000 1.040 459 F HN 0.187 nan 8.300 nan 0.000 0.505 460 I N -1.008 119.656 120.570 0.156 0.000 2.252 460 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 460 I C 2.308 178.460 176.117 0.059 0.000 1.102 460 I CA 1.115 62.470 61.300 0.091 0.000 1.385 460 I CB -0.492 37.545 38.000 0.062 0.000 1.064 460 I HN -0.009 nan 8.210 nan 0.000 0.414 461 S N 0.910 116.634 115.700 0.040 0.000 2.382 461 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 461 S C 1.921 176.544 174.600 0.039 0.000 1.027 461 S CA 1.182 59.411 58.200 0.047 0.000 0.991 461 S CB -0.406 62.821 63.200 0.045 0.000 0.823 461 S HN 0.351 nan 8.310 nan 0.000 0.469 462 L N 2.061 123.271 121.223 -0.021 0.000 2.042 462 L HA -0.105 4.234 4.340 -0.000 0.000 0.210 462 L C 2.123 178.984 176.870 -0.015 0.000 1.076 462 L CA 1.946 56.744 54.840 -0.070 0.000 0.749 462 L CB -1.467 40.452 42.059 -0.234 0.000 0.893 462 L HN 0.172 nan 8.230 nan 0.000 0.432 463 T N 0.051 114.614 114.554 0.015 0.000 2.788 463 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 463 T C 1.916 176.676 174.700 0.100 0.000 1.044 463 T CA 1.324 63.455 62.100 0.051 0.000 1.139 463 T CB -0.538 68.372 68.868 0.069 0.000 0.867 463 T HN 0.571 nan 8.240 nan 0.000 0.454 464 A N 0.935 123.830 122.820 0.125 0.000 1.898 464 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 464 A C 2.570 180.335 177.584 0.301 0.000 1.181 464 A CA 1.193 53.364 52.037 0.223 0.000 0.620 464 A CB -0.913 18.166 19.000 0.132 0.000 0.819 464 A HN 0.359 nan 8.150 nan 0.000 0.442 465 V N 0.126 120.150 119.914 0.184 0.000 2.343 465 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 465 V C 2.639 178.781 176.094 0.080 0.000 1.051 465 V CA 2.222 64.605 62.300 0.138 0.000 1.036 465 V CB -0.765 31.098 31.823 0.067 0.000 0.654 465 V HN 0.564 nan 8.190 nan 0.000 0.451 466 M N -0.948 118.688 119.600 0.059 0.000 2.132 466 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 466 M C 2.254 178.592 176.300 0.063 0.000 1.065 466 M CA 1.694 57.013 55.300 0.033 0.000 1.122 466 M CB -0.499 32.104 32.600 0.005 0.000 1.365 466 M HN 0.341 nan 8.290 nan 0.000 0.411 467 L N 0.670 121.957 121.223 0.106 0.000 2.046 467 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 467 L C 2.474 179.396 176.870 0.086 0.000 1.077 467 L CA 1.666 56.586 54.840 0.133 0.000 0.747 467 L CB -0.536 41.652 42.059 0.216 0.000 0.896 467 L HN 0.288 nan 8.230 nan 0.000 0.432 468 M N -1.751 117.845 119.600 -0.007 0.000 2.149 468 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 468 M C 1.991 178.222 176.300 -0.115 0.000 1.064 468 M CA 1.934 57.087 55.300 -0.245 0.000 1.102 468 M CB -0.096 32.275 32.600 -0.383 0.000 1.369 468 M HN 0.168 nan 8.290 nan 0.000 0.408 469 V N 0.709 120.610 119.914 -0.022 0.000 2.343 469 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 469 V C 2.204 178.339 176.094 0.069 0.000 1.051 469 V CA 2.107 64.420 62.300 0.022 0.000 1.036 469 V CB -1.104 30.740 31.823 0.034 0.000 0.654 469 V HN 0.630 nan 8.190 nan 0.000 0.451 470 F N 0.851 120.770 119.950 -0.051 0.000 2.134 470 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 470 F C 2.078 177.873 175.800 -0.008 0.000 1.097 470 F CA 1.620 59.601 58.000 -0.032 0.000 1.264 470 F CB -0.369 38.525 39.000 -0.177 0.000 1.001 470 F HN 0.083 nan 8.300 nan 0.000 0.479 471 I N 0.399 120.684 120.570 -0.475 0.000 2.208 471 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 471 I C 2.398 178.264 176.117 -0.417 0.000 1.097 471 I CA 1.597 62.553 61.300 -0.574 0.000 1.363 471 I CB -0.546 37.291 38.000 -0.272 0.000 1.051 471 I HN 0.190 nan 8.210 nan 0.000 0.413 472 I N -0.561 119.870 120.570 -0.232 0.000 2.315 472 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 472 I C 2.456 178.576 176.117 0.005 0.000 1.117 472 I CA 1.394 62.603 61.300 -0.151 0.000 1.404 472 I CB -0.428 37.609 38.000 0.061 0.000 1.071 472 I HN 0.418 nan 8.210 nan 0.000 0.419 473 W N 2.311 123.537 121.300 -0.123 0.000 2.355 473 W HA -0.238 4.422 4.660 -0.000 0.000 0.309 473 W C 2.497 178.933 176.519 -0.139 0.000 1.206 473 W CA 1.736 59.055 57.345 -0.043 0.000 1.284 473 W CB -0.249 29.169 29.460 -0.071 0.000 1.145 473 W HN 0.039 nan 8.180 nan 0.000 0.502 474 E N 0.751 120.629 120.200 -0.537 0.000 2.118 474 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 474 E C 2.105 178.371 176.600 -0.557 0.000 0.992 474 E CA 1.782 57.713 56.400 -0.781 0.000 0.804 474 E CB -0.589 28.670 29.700 -0.735 0.000 0.741 474 E HN 0.344 nan 8.360 nan 0.000 0.458 475 A N 0.102 122.672 122.820 -0.416 0.000 1.877 475 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 475 A C 2.169 179.524 177.584 -0.382 0.000 1.186 475 A CA 1.294 53.137 52.037 -0.323 0.000 0.620 475 A CB -1.049 17.766 19.000 -0.308 0.000 0.822 475 A HN 0.323 nan 8.150 nan 0.000 0.443 476 F N -0.136 119.658 119.950 -0.261 0.000 2.293 476 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 476 F C 2.699 178.200 175.800 -0.498 0.000 1.086 476 F CA 0.613 58.413 58.000 -0.335 0.000 1.375 476 F CB 0.013 38.957 39.000 -0.093 0.000 1.045 476 F HN 0.291 nan 8.300 nan 0.000 0.516 477 A N -0.872 121.653 122.820 -0.492 0.000 1.897 477 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 477 A C 2.271 179.612 177.584 -0.405 0.000 1.181 477 A CA 1.810 53.491 52.037 -0.595 0.000 0.620 477 A CB -0.792 17.452 19.000 -1.261 0.000 0.821 477 A HN 0.253 nan 8.150 nan 0.000 0.443 478 S N -0.819 114.644 115.700 -0.395 0.000 2.414 478 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 478 S C 0.436 174.896 174.600 -0.234 0.000 1.022 478 S CA 0.609 58.658 58.200 -0.252 0.000 0.958 478 S CB -0.142 62.944 63.200 -0.189 0.000 0.797 478 S HN 0.568 nan 8.310 nan 0.000 0.493 479 K N 1.085 121.243 120.400 -0.404 0.000 3.393 479 K HA -0.161 4.159 4.320 -0.000 0.000 0.272 479 K C -0.882 175.680 176.600 -0.063 0.000 1.004 479 K CA 0.275 56.279 56.287 -0.472 0.000 0.764 479 K CB -1.143 31.189 32.500 -0.279 0.000 1.373 479 K HN 0.352 nan 8.250 nan 0.000 0.458 480 R N 1.821 122.322 120.500 0.002 0.000 2.248 480 R HA 0.099 4.439 4.340 -0.000 0.000 0.337 480 R C -0.104 176.327 176.300 0.218 0.000 1.106 480 R CA -0.203 55.953 56.100 0.093 0.000 0.959 480 R CB 0.470 30.802 30.300 0.054 0.000 1.075 480 R HN 0.244 nan 8.270 nan 0.000 0.480 481 E N 1.981 122.309 120.200 0.214 0.000 2.316 481 E HA 0.056 4.406 4.350 -0.000 0.000 0.275 481 E C -0.044 176.605 176.600 0.082 0.000 1.029 481 E CA -0.356 56.143 56.400 0.165 0.000 0.871 481 E CB 1.290 31.063 29.700 0.123 0.000 1.022 481 E HN 0.198 nan 8.360 nan 0.000 0.418 482 V N 4.863 124.805 119.914 0.047 0.000 2.763 482 V HA -0.098 4.022 4.120 -0.000 0.000 0.306 482 V C 1.154 177.269 176.094 0.034 0.000 1.059 482 V CA 0.743 63.066 62.300 0.038 0.000 1.138 482 V CB 0.463 32.311 31.823 0.041 0.000 0.940 482 V HN 0.727 nan 8.190 nan 0.000 0.489 483 L N 2.415 123.655 121.223 0.029 0.000 2.783 483 L HA 0.274 4.614 4.340 -0.000 0.000 0.174 483 L C 0.832 177.716 176.870 0.023 0.000 1.235 483 L CA 0.593 55.448 54.840 0.026 0.000 0.862 483 L CB 0.514 42.586 42.059 0.021 0.000 1.249 483 L HN 0.626 nan 8.230 nan 0.000 0.518 484 T N -0.122 114.436 114.554 0.006 0.000 2.893 484 T HA 0.578 4.928 4.350 -0.000 0.000 0.291 484 T C -1.057 173.612 174.700 -0.051 0.000 1.028 484 T CA -0.262 61.834 62.100 -0.007 0.000 0.995 484 T CB 2.855 71.719 68.868 -0.006 0.000 1.051 484 T HN -0.225 nan 8.240 nan 0.000 0.470 485 V N 2.519 122.387 119.914 -0.078 0.000 2.656 485 V HA 0.419 4.539 4.120 -0.000 0.000 0.307 485 V C -0.479 175.536 176.094 -0.132 0.000 1.051 485 V CA -0.824 61.361 62.300 -0.192 0.000 0.893 485 V CB 2.211 33.783 31.823 -0.418 0.000 0.999 485 V HN 0.846 nan 8.190 nan 0.000 0.426 486 D N 2.699 123.020 120.400 -0.132 0.000 2.329 486 D HA 0.480 5.120 4.640 -0.000 0.000 0.246 486 D C 0.758 176.961 176.300 -0.161 0.000 1.111 486 D CA 0.110 54.027 54.000 -0.138 0.000 0.941 486 D CB 1.010 41.704 40.800 -0.178 0.000 1.169 486 D HN 0.532 nan 8.370 nan 0.000 0.441 487 L N 0.899 122.030 121.223 -0.155 0.000 4.089 487 L HA -0.301 4.039 4.340 -0.000 0.000 0.408 487 L C 1.608 178.497 176.870 0.030 0.000 1.184 487 L CA 0.708 55.471 54.840 -0.129 0.000 0.947 487 L CB -2.422 39.419 42.059 -0.363 0.000 2.066 487 L HN 0.597 nan 8.230 nan 0.000 0.851 488 T N -5.247 109.341 114.554 0.058 0.000 2.962 488 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 488 T C 1.737 176.528 174.700 0.151 0.000 1.088 488 T CA 1.429 63.620 62.100 0.151 0.000 1.127 488 T CB -0.418 68.539 68.868 0.147 0.000 0.883 488 T HN 0.598 nan 8.240 nan 0.000 0.493 489 T N 0.700 115.309 114.554 0.092 0.000 2.929 489 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 489 T C 1.709 176.471 174.700 0.104 0.000 1.085 489 T CA 1.467 63.619 62.100 0.087 0.000 1.125 489 T CB -0.911 67.986 68.868 0.048 0.000 0.874 489 T HN 0.660 nan 8.240 nan 0.000 0.494 490 T N -1.364 113.259 114.554 0.115 0.000 3.288 490 T HA 0.343 4.693 4.350 -0.000 0.000 0.293 490 T C 0.057 174.886 174.700 0.216 0.000 1.008 490 T CA -0.835 61.343 62.100 0.130 0.000 0.929 490 T CB -0.104 68.807 68.868 0.072 0.000 1.152 490 T HN 0.286 nan 8.240 nan 0.000 0.517 491 N N 1.379 120.255 118.700 0.294 0.000 2.716 491 N HA 0.180 4.920 4.740 -0.000 0.000 0.245 491 N C 0.347 176.137 175.510 0.466 0.000 1.495 491 N CA -0.270 53.053 53.050 0.456 0.000 0.759 491 N CB 1.748 40.593 38.487 0.596 0.000 1.261 491 N HN 0.050 nan 8.380 nan 0.000 0.515 492 L N 2.123 123.566 121.223 0.367 0.000 2.129 492 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 492 L C 2.471 179.566 176.870 0.375 0.000 1.087 492 L CA 2.003 57.048 54.840 0.342 0.000 0.757 492 L CB -0.119 42.105 42.059 0.276 0.000 0.896 492 L HN 0.437 nan 8.230 nan 0.000 0.434 493 E N -1.495 118.916 120.200 0.352 0.000 2.265 493 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 493 E C 1.691 178.362 176.600 0.118 0.000 0.996 493 E CA 1.630 58.165 56.400 0.225 0.000 0.832 493 E CB -0.922 28.843 29.700 0.108 0.000 0.756 493 E HN 0.706 nan 8.360 nan 0.000 0.491 494 W N 0.142 121.579 121.300 0.229 0.000 3.077 494 W HA 0.215 4.875 4.660 -0.000 0.000 0.266 494 W C 1.715 178.307 176.519 0.121 0.000 1.300 494 W CA -0.546 56.888 57.345 0.148 0.000 1.586 494 W CB -0.043 29.484 29.460 0.112 0.000 1.103 494 W HN 0.049 nan 8.180 nan 0.000 0.652 495 L N 1.123 122.550 121.223 0.340 0.000 2.450 495 L HA -0.079 4.261 4.340 -0.000 0.000 0.224 495 L C 1.163 178.110 176.870 0.128 0.000 1.149 495 L CA 1.558 56.534 54.840 0.228 0.000 0.816 495 L CB -0.636 41.560 42.059 0.230 0.000 0.932 495 L HN 0.028 nan 8.230 nan 0.000 0.449 496 N N -0.085 118.672 118.700 0.095 0.000 2.251 496 N HA 0.228 4.968 4.740 -0.000 0.000 0.217 496 N C 0.683 176.222 175.510 0.048 0.000 1.124 496 N CA 0.751 53.806 53.050 0.007 0.000 0.843 496 N CB 0.552 38.978 38.487 -0.101 0.000 1.024 496 N HN 0.327 nan 8.380 nan 0.000 0.501 497 G N 0.513 109.375 108.800 0.103 0.000 2.796 497 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.571 497 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.571 497 G C -0.730 174.226 174.900 0.094 0.000 1.370 497 G CA -0.704 44.457 45.100 0.101 0.000 0.856 497 G HN 0.295 nan 8.290 nan 0.000 0.538 498 C N 2.393 121.733 119.300 0.067 0.000 2.344 498 C HA 0.719 5.179 4.460 -0.000 0.000 0.326 498 C C -1.414 173.542 174.990 -0.055 0.000 1.201 498 C CA -0.878 58.145 59.018 0.008 0.000 1.410 498 C CB 1.158 28.919 27.740 0.035 0.000 2.070 498 C HN 0.834 nan 8.230 nan 0.000 0.445 499 P HA 0.397 nan 4.420 nan 0.000 0.279 499 P C -2.618 174.726 177.300 0.073 0.000 1.252 499 P CA -1.315 61.797 63.100 0.021 0.000 0.811 499 P CB 0.424 32.169 31.700 0.075 0.000 1.035 500 P HA 0.186 nan 4.420 nan 0.000 0.272 500 P C -2.277 175.059 177.300 0.060 0.000 1.230 500 P CA -1.339 61.814 63.100 0.088 0.000 0.788 500 P CB -0.958 30.817 31.700 0.126 0.000 0.949 501 P HA -0.037 nan 4.420 nan 0.000 0.272 501 P C 0.811 178.120 177.300 0.015 0.000 1.230 501 P CA -0.074 63.049 63.100 0.039 0.000 0.788 501 P CB 0.522 32.246 31.700 0.040 0.000 0.949 502 Y N 1.871 122.092 120.300 -0.132 0.000 2.062 502 Y HA -0.263 4.287 4.550 -0.000 0.000 0.276 502 Y C 0.933 176.657 175.900 -0.293 0.000 1.189 502 Y CA 1.836 59.769 58.100 -0.278 0.000 1.130 502 Y CB -0.564 37.691 38.460 -0.342 0.000 0.959 502 Y HN 0.433 nan 8.280 nan 0.000 0.499 503 H N -0.146 118.963 119.070 0.066 0.000 2.556 503 H HA 0.357 4.913 4.556 -0.000 0.000 0.310 503 H C -0.280 175.038 175.328 -0.017 0.000 1.057 503 H CA -0.221 55.831 56.048 0.007 0.000 1.264 503 H CB 0.962 30.769 29.762 0.075 0.000 1.404 503 H HN 0.052 nan 8.280 nan 0.000 0.462 504 T N -0.140 114.480 114.554 0.111 0.000 2.932 504 T HA 0.322 4.672 4.350 -0.000 0.000 0.289 504 T C -0.185 174.552 174.700 0.062 0.000 1.039 504 T CA -0.965 61.105 62.100 -0.049 0.000 1.024 504 T CB 1.011 69.802 68.868 -0.127 0.000 1.090 504 T HN 0.567 nan 8.240 nan 0.000 0.496 505 F N -0.522 119.463 119.950 0.060 0.000 3.091 505 F HA -0.198 4.329 4.527 -0.000 0.000 0.288 505 F C 1.258 177.069 175.800 0.018 0.000 0.907 505 F CA 0.365 58.386 58.000 0.036 0.000 1.028 505 F CB -2.498 36.516 39.000 0.022 0.000 1.022 505 F HN 0.806 nan 8.300 nan 0.000 0.665 506 E N 0.282 120.541 120.200 0.098 0.000 2.153 506 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 506 E C 1.112 177.744 176.600 0.054 0.000 0.988 506 E CA 1.311 57.736 56.400 0.042 0.000 0.811 506 E CB 0.091 29.783 29.700 -0.013 0.000 0.746 506 E HN 0.622 nan 8.360 nan 0.000 0.466 507 E N 1.741 121.986 120.200 0.076 0.000 2.114 507 E HA 0.153 4.503 4.350 -0.000 0.000 0.266 507 E C -2.384 174.309 176.600 0.154 0.000 0.896 507 E CA -2.668 53.783 56.400 0.085 0.000 0.750 507 E CB 0.933 30.672 29.700 0.064 0.000 1.121 507 E HN -0.149 nan 8.360 nan 0.000 0.413 508 P HA -0.029 nan 4.420 nan 0.000 0.271 508 P C -0.114 177.301 177.300 0.192 0.000 1.233 508 P CA -0.253 62.946 63.100 0.166 0.000 0.789 508 P CB 0.484 32.224 31.700 0.067 0.000 0.951 509 T N -1.221 113.448 114.554 0.192 0.000 2.802 509 T HA 0.120 4.470 4.350 -0.000 0.000 0.305 509 T C -0.374 174.422 174.700 0.161 0.000 1.053 509 T CA -0.246 61.973 62.100 0.198 0.000 1.058 509 T CB 0.072 69.031 68.868 0.153 0.000 0.988 509 T HN 0.391 nan 8.240 nan 0.000 0.539 510 Y N 1.319 121.657 120.300 0.063 0.000 2.335 510 Y HA 0.548 5.098 4.550 -0.000 0.000 0.339 510 Y C -1.259 174.661 175.900 0.034 0.000 0.987 510 Y CA -1.134 56.990 58.100 0.041 0.000 1.140 510 Y CB 0.834 39.318 38.460 0.040 0.000 1.173 510 Y HN 0.570 nan 8.280 nan 0.000 0.486 511 V N 6.629 126.308 119.914 -0.392 0.000 2.488 511 V HA 0.242 4.362 4.120 -0.000 0.000 0.293 511 V C -0.521 175.342 176.094 -0.384 0.000 1.027 511 V CA -1.266 60.884 62.300 -0.250 0.000 0.862 511 V CB 1.408 33.167 31.823 -0.107 0.000 1.008 511 V HN 0.860 nan 8.190 nan 0.000 0.428 512 N N 2.864 121.383 118.700 -0.302 0.000 2.479 512 N HA 0.190 4.930 4.740 -0.000 0.000 0.257 512 N C 0.680 176.129 175.510 -0.102 0.000 1.232 512 N CA -0.402 52.533 53.050 -0.192 0.000 0.920 512 N CB 0.971 39.451 38.487 -0.011 0.000 1.105 512 N HN 0.563 nan 8.380 nan 0.000 0.444 513 L N 1.638 122.814 121.223 -0.078 0.000 2.408 513 L HA 0.176 4.516 4.340 -0.000 0.000 0.215 513 L C 0.304 177.164 176.870 -0.016 0.000 1.081 513 L CA 1.091 55.904 54.840 -0.044 0.000 0.840 513 L CB -0.391 41.643 42.059 -0.042 0.000 1.002 513 L HN 0.713 nan 8.230 nan 0.000 0.468 514 K N 0.000 120.396 120.400 -0.007 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.008 0.000 0.838 514 K CB 0.000 32.507 32.500 0.012 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543