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 1yaj_1_F DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.655 174.600 0.091 0.000 1.055 21 S CA 0.000 58.264 58.200 0.106 0.000 1.107 21 S CB 0.000 63.247 63.200 0.078 0.000 0.593 22 S N 4.524 120.280 115.700 0.095 0.000 2.455 22 S HA 0.568 5.038 4.470 0.000 0.000 0.278 22 S C -2.555 172.032 174.600 -0.021 0.000 1.216 22 S CA -0.459 57.765 58.200 0.040 0.000 1.055 22 S CB 0.388 63.616 63.200 0.046 0.000 0.939 22 S HN 0.427 nan 8.310 nan 0.000 0.494 23 P HA 0.108 nan 4.420 nan 0.000 0.266 23 P C -2.541 174.564 177.300 -0.325 0.000 1.186 23 P CA -0.794 62.154 63.100 -0.253 0.000 0.767 23 P CB -0.370 31.220 31.700 -0.183 0.000 0.820 24 P HA 0.060 nan 4.420 nan 0.000 0.266 24 P C -0.917 176.291 177.300 -0.153 0.000 1.215 24 P CA 0.429 63.256 63.100 -0.454 0.000 0.763 24 P CB 0.409 31.671 31.700 -0.731 0.000 0.806 25 V N 5.472 125.374 119.914 -0.021 0.000 2.407 25 V HA 0.345 4.465 4.120 0.000 0.000 0.291 25 V C -0.020 176.104 176.094 0.050 0.000 1.018 25 V CA -0.555 61.779 62.300 0.057 0.000 0.842 25 V CB 2.125 33.971 31.823 0.038 0.000 0.996 25 V HN 0.192 nan 8.190 nan 0.000 0.426 26 V N 3.313 123.262 119.914 0.058 0.000 2.604 26 V HA 0.482 4.602 4.120 0.000 0.000 0.305 26 V C -0.541 175.522 176.094 -0.050 0.000 1.043 26 V CA -0.647 61.559 62.300 -0.158 0.000 0.888 26 V CB 2.213 33.606 31.823 -0.717 0.000 0.995 26 V HN 0.838 nan 8.190 nan 0.000 0.429 27 D N 2.826 123.191 120.400 -0.058 0.000 2.225 27 D HA 0.474 5.114 4.640 0.000 0.000 0.248 27 D C 0.115 176.425 176.300 0.017 0.000 1.096 27 D CA 0.138 54.151 54.000 0.021 0.000 0.863 27 D CB 2.021 42.818 40.800 -0.005 0.000 1.156 27 D HN 0.792 nan 8.370 nan 0.000 0.450 28 T N -0.638 113.978 114.554 0.103 0.000 2.919 28 T HA 0.288 4.638 4.350 0.000 0.000 0.282 28 T C 1.495 176.156 174.700 -0.066 0.000 1.020 28 T CA -0.619 61.528 62.100 0.080 0.000 0.994 28 T CB 0.779 69.851 68.868 0.340 0.000 1.180 28 T HN 0.037 nan 8.240 nan 0.000 0.566 29 V N 1.096 120.911 119.914 -0.165 0.000 2.490 29 V HA -0.105 4.015 4.120 0.000 0.000 0.250 29 V C 2.456 178.405 176.094 -0.242 0.000 1.061 29 V CA 1.655 63.812 62.300 -0.239 0.000 1.064 29 V CB -1.172 30.442 31.823 -0.349 0.000 0.670 29 V HN 0.838 nan 8.190 nan 0.000 0.461 30 H N -0.306 118.611 119.070 -0.254 0.000 2.520 30 H HA 0.468 5.024 4.556 0.000 0.000 0.279 30 H C 0.999 175.600 175.328 -1.212 0.000 0.990 30 H CA 0.847 56.534 56.048 -0.601 0.000 1.288 30 H CB 0.692 30.125 29.762 -0.548 0.000 1.446 30 H HN 0.522 nan 8.280 nan 0.000 0.538 31 G N -0.220 108.065 108.800 -0.858 0.000 2.316 31 G HA2 0.177 4.137 3.960 0.000 0.000 0.296 31 G HA3 0.177 4.137 3.960 0.000 0.000 0.296 31 G C -1.336 173.746 174.900 0.304 0.000 1.399 31 G CA -1.057 43.621 45.100 -0.703 0.000 0.833 31 G HN -0.032 nan 8.290 nan 0.000 0.565 32 K N -0.476 120.195 120.400 0.453 0.000 2.270 32 K HA 0.557 4.877 4.320 0.000 0.000 0.276 32 K C -0.424 176.516 176.600 0.566 0.000 1.023 32 K CA -0.306 56.232 56.287 0.418 0.000 0.955 32 K CB 1.676 34.334 32.500 0.262 0.000 0.975 32 K HN 0.258 nan 8.250 nan 0.000 0.471 33 V N 4.049 124.207 119.914 0.405 0.000 2.656 33 V HA 0.268 4.388 4.120 0.000 0.000 0.307 33 V C -0.871 175.412 176.094 0.315 0.000 1.051 33 V CA -1.023 61.497 62.300 0.366 0.000 0.893 33 V CB 1.885 34.004 31.823 0.493 0.000 0.999 33 V HN 0.554 nan 8.190 nan 0.000 0.426 34 L N 4.343 125.677 121.223 0.186 0.000 2.296 34 L HA 0.863 5.203 4.340 0.000 0.000 0.286 34 L C 0.298 177.112 176.870 -0.093 0.000 1.023 34 L CA 0.535 55.402 54.840 0.044 0.000 0.812 34 L CB 0.942 42.995 42.059 -0.011 0.000 1.223 34 L HN 0.772 nan 8.230 nan 0.000 0.421 35 G N 4.785 113.336 108.800 -0.417 0.000 3.234 35 G HA2 0.633 4.593 3.960 0.000 0.000 0.159 35 G HA3 0.633 4.593 3.960 0.000 0.000 0.159 35 G C -1.216 173.318 174.900 -0.609 0.000 1.175 35 G CA -0.456 44.168 45.100 -0.794 0.000 0.900 35 G HN 0.734 nan 8.290 nan 0.000 0.621 36 K N -0.996 119.012 120.400 -0.653 0.000 2.569 36 K HA 0.470 4.790 4.320 0.000 0.000 0.259 36 K C -1.670 174.738 176.600 -0.319 0.000 0.932 36 K CA -0.782 55.242 56.287 -0.438 0.000 0.833 36 K CB 1.199 33.542 32.500 -0.263 0.000 1.340 36 K HN 0.295 nan 8.250 nan 0.000 0.429 37 F N 1.497 121.368 119.950 -0.131 0.000 2.418 37 F HA 0.394 4.921 4.527 0.000 0.000 0.341 37 F C 0.104 175.877 175.800 -0.046 0.000 1.120 37 F CA -0.739 57.219 58.000 -0.070 0.000 1.232 37 F CB 1.634 40.614 39.000 -0.035 0.000 1.175 37 F HN 0.130 nan 8.300 nan 0.000 0.569 38 V N 2.505 122.541 119.914 0.204 0.000 2.629 38 V HA 0.079 4.199 4.120 0.000 0.000 0.263 38 V C -0.479 175.673 176.094 0.097 0.000 0.959 38 V CA -0.794 61.575 62.300 0.116 0.000 0.869 38 V CB 1.013 32.891 31.823 0.092 0.000 1.060 38 V HN 0.767 nan 8.190 nan 0.000 0.474 39 S N 4.063 119.808 115.700 0.075 0.000 2.558 39 S HA 0.368 4.838 4.470 0.000 0.000 0.288 39 S C -0.237 174.409 174.600 0.077 0.000 1.318 39 S CA 0.052 58.288 58.200 0.059 0.000 1.056 39 S CB 0.849 64.076 63.200 0.045 0.000 0.853 39 S HN 0.529 nan 8.310 nan 0.000 0.505 40 L N 3.830 125.108 121.223 0.091 0.000 2.313 40 L HA 0.336 4.676 4.340 0.000 0.000 0.283 40 L C -0.015 176.980 176.870 0.208 0.000 1.013 40 L CA -0.683 54.227 54.840 0.117 0.000 0.816 40 L CB 0.872 42.943 42.059 0.018 0.000 1.236 40 L HN 0.788 nan 8.230 nan 0.000 0.419 41 E N 4.105 124.410 120.200 0.175 0.000 3.434 41 E HA 0.141 4.491 4.350 0.000 0.000 0.248 41 E C 0.940 177.649 176.600 0.181 0.000 0.895 41 E CA 0.787 57.284 56.400 0.161 0.000 0.953 41 E CB -0.594 29.203 29.700 0.161 0.000 0.893 41 E HN 1.020 nan 8.360 nan 0.000 0.570 42 G N 3.098 111.949 108.800 0.085 0.000 2.317 42 G HA2 -0.308 3.652 3.960 0.000 0.000 0.227 42 G HA3 -0.308 3.652 3.960 0.000 0.000 0.227 42 G C -0.034 174.763 174.900 -0.172 0.000 1.042 42 G CA -0.074 44.994 45.100 -0.053 0.000 0.623 42 G HN 0.484 nan 8.290 nan 0.000 0.509 43 F N 1.958 121.868 119.950 -0.067 0.000 2.421 43 F HA 0.647 5.174 4.527 0.000 0.000 0.358 43 F C 1.545 177.307 175.800 -0.063 0.000 1.115 43 F CA 0.154 58.103 58.000 -0.085 0.000 1.160 43 F CB 1.555 40.490 39.000 -0.110 0.000 1.123 43 F HN 0.213 nan 8.300 nan 0.000 0.508 44 A N 2.429 125.274 122.820 0.041 0.000 2.014 44 A HA -0.130 4.190 4.320 0.000 0.000 0.218 44 A C 1.236 178.828 177.584 0.013 0.000 1.163 44 A CA 0.526 52.569 52.037 0.011 0.000 0.652 44 A CB -0.463 18.523 19.000 -0.022 0.000 0.808 44 A HN 0.647 nan 8.150 nan 0.000 0.449 45 Q N 1.471 121.307 119.800 0.061 0.000 2.307 45 Q HA 0.269 4.609 4.340 0.000 0.000 0.261 45 Q C -2.492 173.502 176.000 -0.010 0.000 1.051 45 Q CA -2.313 53.503 55.803 0.021 0.000 0.911 45 Q CB 0.609 29.389 28.738 0.070 0.000 1.227 45 Q HN 0.316 nan 8.270 nan 0.000 0.418 46 P HA 0.082 nan 4.420 nan 0.000 0.280 46 P C -0.992 176.268 177.300 -0.066 0.000 1.244 46 P CA -0.292 62.707 63.100 -0.168 0.000 0.784 46 P CB 1.155 32.562 31.700 -0.489 0.000 0.913 47 V N 2.958 122.920 119.914 0.079 0.000 2.439 47 V HA 0.418 4.538 4.120 0.000 0.000 0.282 47 V C 0.817 177.120 176.094 0.348 0.000 1.039 47 V CA -0.685 61.728 62.300 0.188 0.000 0.913 47 V CB 0.952 32.864 31.823 0.148 0.000 0.983 47 V HN 0.727 nan 8.190 nan 0.000 0.460 48 A N 6.865 129.936 122.820 0.419 0.000 2.309 48 A HA 0.692 5.012 4.320 0.000 0.000 0.290 48 A C -0.335 177.340 177.584 0.152 0.000 1.206 48 A CA -0.229 51.993 52.037 0.308 0.000 0.850 48 A CB -0.118 19.147 19.000 0.442 0.000 1.118 48 A HN 0.781 nan 8.150 nan 0.000 0.523 49 I N 3.013 123.479 120.570 -0.172 0.000 2.362 49 I HA 0.375 4.545 4.170 0.000 0.000 0.289 49 I C -1.229 174.640 176.117 -0.414 0.000 0.994 49 I CA -0.239 60.910 61.300 -0.252 0.000 1.158 49 I CB 1.225 39.054 38.000 -0.284 0.000 1.315 49 I HN 0.517 nan 8.210 nan 0.000 0.451 50 F N 6.775 126.616 119.950 -0.180 0.000 2.482 50 F HA 0.591 5.118 4.527 -0.000 0.000 0.331 50 F C -0.272 175.429 175.800 -0.165 0.000 1.115 50 F CA -0.721 57.222 58.000 -0.096 0.000 0.955 50 F CB 1.407 40.454 39.000 0.079 0.000 1.136 50 F HN 0.109 nan 8.300 nan 0.000 0.452 51 L N 2.357 123.566 121.223 -0.023 0.000 2.381 51 L HA 0.678 5.018 4.340 0.000 0.000 0.274 51 L C 0.511 177.348 176.870 -0.055 0.000 0.988 51 L CA -0.894 53.901 54.840 -0.074 0.000 0.824 51 L CB 1.822 43.718 42.059 -0.273 0.000 1.263 51 L HN 0.892 nan 8.230 nan 0.000 0.410 52 G N 3.232 112.034 108.800 0.004 0.000 2.142 52 G HA2 -0.216 3.744 3.960 0.000 0.000 0.225 52 G HA3 -0.216 3.744 3.960 0.000 0.000 0.225 52 G C -0.084 174.899 174.900 0.138 0.000 1.015 52 G CA -0.512 44.567 45.100 -0.035 0.000 0.716 52 G HN 0.496 nan 8.290 nan 0.000 0.508 53 I N 2.415 123.053 120.570 0.113 0.000 2.471 53 I HA 0.221 4.391 4.170 0.000 0.000 0.286 53 I C -1.360 174.801 176.117 0.075 0.000 1.079 53 I CA -1.873 59.453 61.300 0.043 0.000 1.398 53 I CB 0.950 38.892 38.000 -0.098 0.000 1.403 53 I HN -0.009 nan 8.210 nan 0.000 0.530 54 P HA 0.072 nan 4.420 nan 0.000 0.281 54 P C -0.319 176.912 177.300 -0.114 0.000 1.252 54 P CA -0.105 62.885 63.100 -0.183 0.000 0.778 54 P CB 0.559 32.156 31.700 -0.172 0.000 0.895 55 F N 1.185 120.922 119.950 -0.355 0.000 2.668 55 F HA 0.770 5.297 4.527 0.000 0.000 0.301 55 F C -0.019 175.762 175.800 -0.032 0.000 1.106 55 F CA -0.766 57.073 58.000 -0.268 0.000 1.289 55 F CB 0.318 39.102 39.000 -0.359 0.000 1.006 55 F HN 0.413 nan 8.300 nan 0.000 0.535 56 A N 0.521 123.111 122.820 -0.384 0.000 2.544 56 A HA 0.427 4.747 4.320 0.000 0.000 0.291 56 A C -1.532 175.863 177.584 -0.315 0.000 1.055 56 A CA -1.129 50.708 52.037 -0.333 0.000 0.651 56 A CB 0.856 19.532 19.000 -0.541 0.000 1.296 56 A HN 0.185 nan 8.150 nan 0.000 0.431 57 K N 0.372 120.644 120.400 -0.212 0.000 2.154 57 K HA 0.475 4.795 4.320 0.000 0.000 0.264 57 K C -2.492 173.972 176.600 -0.226 0.000 1.008 57 K CA -1.621 54.561 56.287 -0.175 0.000 0.937 57 K CB 0.658 33.094 32.500 -0.107 0.000 1.002 57 K HN 0.323 nan 8.250 nan 0.000 0.469 58 P HA 0.024 nan 4.420 nan 0.000 0.261 58 P C -2.345 174.861 177.300 -0.157 0.000 1.203 58 P CA -0.824 62.168 63.100 -0.180 0.000 0.767 58 P CB 0.229 31.862 31.700 -0.112 0.000 0.785 59 P HA 0.029 nan 4.420 nan 0.000 0.232 59 P C -0.573 176.632 177.300 -0.159 0.000 1.738 59 P CA 0.485 63.484 63.100 -0.168 0.000 0.948 59 P CB 0.008 31.603 31.700 -0.175 0.000 1.943 60 L N -0.496 120.648 121.223 -0.133 0.000 2.375 60 L HA 0.556 4.896 4.340 0.000 0.000 0.268 60 L C 1.698 178.498 176.870 -0.116 0.000 1.058 60 L CA -0.246 54.523 54.840 -0.118 0.000 0.803 60 L CB 0.534 42.539 42.059 -0.090 0.000 1.212 60 L HN 0.286 nan 8.230 nan 0.000 0.451 61 G N 1.739 110.473 108.800 -0.110 0.000 2.620 61 G HA2 -0.293 3.667 3.960 0.000 0.000 0.315 61 G HA3 -0.293 3.667 3.960 0.000 0.000 0.315 61 G C -1.235 173.592 174.900 -0.122 0.000 1.179 61 G CA 0.379 45.420 45.100 -0.098 0.000 0.971 61 G HN 0.622 nan 8.290 nan 0.000 0.544 62 P HA 0.135 nan 4.420 nan 0.000 0.229 62 P C 1.847 179.074 177.300 -0.121 0.000 1.160 62 P CA 0.995 64.049 63.100 -0.077 0.000 0.777 62 P CB -0.043 31.633 31.700 -0.040 0.000 0.814 63 L N -0.846 120.288 121.223 -0.149 0.000 2.627 63 L HA 0.129 4.469 4.340 0.000 0.000 0.233 63 L C 1.619 178.317 176.870 -0.286 0.000 1.144 63 L CA -0.165 54.565 54.840 -0.184 0.000 0.892 63 L CB -0.406 41.562 42.059 -0.152 0.000 1.039 63 L HN -0.056 nan 8.230 nan 0.000 0.442 64 R N 0.423 120.701 120.500 -0.368 0.000 2.490 64 R HA 0.086 4.426 4.340 0.000 0.000 0.280 64 R C -0.067 175.798 176.300 -0.726 0.000 1.077 64 R CA -0.352 55.369 56.100 -0.632 0.000 1.065 64 R CB 0.397 30.172 30.300 -0.875 0.000 1.003 64 R HN 0.042 nan 8.270 nan 0.000 0.470 65 F N -0.327 119.265 119.950 -0.596 0.000 3.091 65 F HA -0.273 4.254 4.527 -0.000 0.000 0.288 65 F C 0.197 175.014 175.800 -1.638 0.000 0.907 65 F CA 1.363 58.672 58.000 -1.152 0.000 1.028 65 F CB -2.717 36.125 39.000 -0.263 0.000 1.022 65 F HN 0.613 nan 8.300 nan 0.000 0.665 66 T N -3.386 110.404 114.554 -1.273 0.000 2.883 66 T HA 0.806 5.156 4.350 0.000 0.000 0.296 66 T C -3.085 171.316 174.700 -0.499 0.000 1.117 66 T CA -2.368 59.236 62.100 -0.827 0.000 1.006 66 T CB 3.496 72.172 68.868 -0.320 0.000 1.191 66 T HN -0.232 nan 8.240 nan 0.000 0.508 67 P HA 0.313 nan 4.420 nan 0.000 0.272 67 P C -2.454 174.854 177.300 0.012 0.000 1.223 67 P CA -1.230 61.935 63.100 0.109 0.000 0.784 67 P CB -0.154 31.655 31.700 0.181 0.000 0.923 68 P HA 0.095 nan 4.420 nan 0.000 0.271 68 P C -0.717 176.583 177.300 0.000 0.000 1.220 68 P CA 0.174 63.263 63.100 -0.019 0.000 0.768 68 P CB 0.673 32.367 31.700 -0.010 0.000 0.848 69 Q N 4.067 123.847 119.800 -0.034 0.000 2.205 69 Q HA 0.433 4.773 4.340 0.000 0.000 0.249 69 Q C -2.169 173.832 176.000 0.001 0.000 0.948 69 Q CA -1.923 53.876 55.803 -0.006 0.000 0.895 69 Q CB 0.266 28.991 28.738 -0.022 0.000 1.249 69 Q HN 0.371 nan 8.270 nan 0.000 0.458 70 P HA -0.026 nan 4.420 nan 0.000 0.266 70 P C -1.372 175.919 177.300 -0.016 0.000 1.195 70 P CA 0.176 63.329 63.100 0.088 0.000 0.768 70 P CB 0.535 32.311 31.700 0.126 0.000 0.838 71 A N 3.108 125.905 122.820 -0.040 0.000 2.407 71 A HA 0.148 4.468 4.320 0.000 0.000 0.248 71 A C 0.458 177.840 177.584 -0.336 0.000 1.082 71 A CA -0.284 51.665 52.037 -0.147 0.000 0.785 71 A CB -0.048 18.931 19.000 -0.035 0.000 1.020 71 A HN 0.448 nan 8.150 nan 0.000 0.489 72 E N 2.188 122.286 120.200 -0.170 0.000 2.383 72 E HA 0.242 4.592 4.350 0.000 0.000 0.264 72 E C -2.141 174.365 176.600 -0.157 0.000 1.050 72 E CA -1.498 54.811 56.400 -0.152 0.000 0.896 72 E CB 0.117 29.790 29.700 -0.045 0.000 0.982 72 E HN 0.500 nan 8.360 nan 0.000 0.424 73 P HA 0.086 nan 4.420 nan 0.000 0.276 73 P C -0.767 176.506 177.300 -0.044 0.000 1.230 73 P CA -0.288 62.677 63.100 -0.226 0.000 0.776 73 P CB 0.225 31.815 31.700 -0.182 0.000 0.888 74 W N 2.026 123.352 121.300 0.044 0.000 2.497 74 W HA 0.608 5.268 4.660 -0.000 0.000 0.359 74 W C 0.654 177.186 176.519 0.022 0.000 1.131 74 W CA -0.586 56.787 57.345 0.046 0.000 1.280 74 W CB -0.519 28.989 29.460 0.081 0.000 1.319 74 W HN 0.176 nan 8.180 nan 0.000 0.626 75 S N 0.308 116.162 115.700 0.257 0.000 2.288 75 S HA 0.163 4.633 4.470 0.000 0.000 0.191 75 S C 0.637 175.229 174.600 -0.014 0.000 1.028 75 S CA 0.113 58.305 58.200 -0.014 0.000 1.030 75 S CB -0.539 62.572 63.200 -0.148 0.000 0.932 75 S HN 0.354 nan 8.310 nan 0.000 0.463 76 F N 1.531 121.605 119.950 0.208 0.000 2.173 76 F HA 0.276 4.803 4.527 -0.000 0.000 0.280 76 F C 0.620 176.572 175.800 0.253 0.000 1.175 76 F CA -0.888 57.218 58.000 0.177 0.000 1.166 76 F CB -0.300 38.765 39.000 0.109 0.000 1.589 76 F HN -0.095 nan 8.300 nan 0.000 0.513 77 V N 1.269 121.417 119.914 0.390 0.000 2.493 77 V HA -0.047 4.073 4.120 0.000 0.000 0.292 77 V C 0.200 176.400 176.094 0.177 0.000 1.016 77 V CA -0.350 62.114 62.300 0.274 0.000 1.097 77 V CB 0.118 32.049 31.823 0.181 0.000 0.947 77 V HN 0.477 nan 8.190 nan 0.000 0.479 78 K N 5.178 125.632 120.400 0.090 0.000 2.267 78 K HA 0.223 4.543 4.320 0.000 0.000 0.282 78 K C 0.022 176.570 176.600 -0.086 0.000 1.078 78 K CA -0.588 55.615 56.287 -0.141 0.000 0.903 78 K CB 0.171 32.279 32.500 -0.653 0.000 1.111 78 K HN 0.739 nan 8.250 nan 0.000 0.475 79 N N 2.533 121.190 118.700 -0.072 0.000 2.411 79 N HA -0.005 4.735 4.740 0.000 0.000 0.261 79 N C -0.528 174.925 175.510 -0.095 0.000 1.248 79 N CA 0.159 53.166 53.050 -0.073 0.000 0.885 79 N CB 1.190 39.629 38.487 -0.079 0.000 1.062 79 N HN 0.553 nan 8.380 nan 0.000 0.471 80 A N 1.260 124.036 122.820 -0.073 0.000 3.201 80 A HA 0.328 4.648 4.320 0.000 0.000 0.312 80 A C 0.322 177.829 177.584 -0.127 0.000 1.011 80 A CA -0.643 51.356 52.037 -0.062 0.000 0.987 80 A CB -0.488 18.563 19.000 0.084 0.000 1.060 80 A HN 0.629 nan 8.150 nan 0.000 0.505 81 T N -2.640 111.816 114.554 -0.163 0.000 3.448 81 T HA 0.505 4.855 4.350 0.000 0.000 0.271 81 T C -0.187 174.373 174.700 -0.233 0.000 1.002 81 T CA -0.293 61.679 62.100 -0.212 0.000 0.995 81 T CB -0.270 68.486 68.868 -0.188 0.000 1.153 81 T HN 0.128 nan 8.240 nan 0.000 0.510 82 S N 0.876 116.430 115.700 -0.244 0.000 2.689 82 S HA 0.389 4.859 4.470 0.000 0.000 0.274 82 S C -1.151 173.330 174.600 -0.197 0.000 1.176 82 S CA -0.842 57.226 58.200 -0.219 0.000 1.014 82 S CB 0.515 63.628 63.200 -0.146 0.000 1.071 82 S HN 0.406 nan 8.310 nan 0.000 0.478 83 Y N 4.154 124.394 120.300 -0.100 0.000 2.887 83 Y HA 0.011 4.561 4.550 -0.000 0.000 0.350 83 Y C -1.312 174.491 175.900 -0.161 0.000 1.294 83 Y CA -0.687 57.353 58.100 -0.099 0.000 1.622 83 Y CB -0.498 37.922 38.460 -0.068 0.000 1.201 83 Y HN 0.400 nan 8.280 nan 0.000 0.546 84 P HA 0.031 nan 4.420 nan 0.000 0.271 84 P C -2.570 174.641 177.300 -0.148 0.000 1.238 84 P CA -1.117 61.810 63.100 -0.289 0.000 0.794 84 P CB 0.250 31.710 31.700 -0.400 0.000 0.959 85 P HA 0.257 nan 4.420 nan 0.000 0.274 85 P C -0.337 176.926 177.300 -0.061 0.000 1.246 85 P CA -0.174 62.864 63.100 -0.103 0.000 0.795 85 P CB 0.235 31.875 31.700 -0.100 0.000 1.006 86 M N -0.287 119.261 119.600 -0.086 0.000 2.404 86 M HA 0.516 4.996 4.480 0.000 0.000 0.338 86 M C -0.697 175.527 176.300 -0.125 0.000 1.150 86 M CA -0.652 54.590 55.300 -0.098 0.000 1.016 86 M CB 0.681 33.202 32.600 -0.132 0.000 1.672 86 M HN 0.118 nan 8.290 nan 0.000 0.448 87 c N 1.616 120.140 118.600 -0.127 0.000 2.746 87 c HA 0.107 4.677 4.570 0.000 0.000 0.403 87 c C 1.069 174.994 174.090 -0.276 0.000 1.270 87 c CA -0.223 55.986 56.329 -0.200 0.000 1.978 87 c CB -0.458 41.967 42.510 -0.142 0.000 2.724 87 c HN 0.882 nan 8.230 nan 0.000 0.678 88 T N 3.269 117.501 114.554 -0.535 0.000 2.946 88 T HA 0.397 4.747 4.350 0.000 0.000 0.311 88 T C -0.073 174.484 174.700 -0.238 0.000 1.063 88 T CA 0.208 61.947 62.100 -0.602 0.000 1.139 88 T CB 0.080 68.077 68.868 -1.452 0.000 0.994 88 T HN 0.887 nan 8.240 nan 0.000 0.547 89 Q N 0.400 120.171 119.800 -0.050 0.000 2.900 89 Q HA 0.229 4.569 4.340 0.000 0.000 0.297 89 Q C -1.808 174.242 176.000 0.084 0.000 0.889 89 Q CA -1.103 54.757 55.803 0.096 0.000 0.777 89 Q CB 0.690 29.453 28.738 0.041 0.000 1.518 89 Q HN 0.425 nan 8.270 nan 0.000 0.430 90 D N 2.361 122.828 120.400 0.111 0.000 2.451 90 D HA 0.020 4.660 4.640 0.000 0.000 0.254 90 D C -1.171 175.147 176.300 0.030 0.000 1.204 90 D CA -1.052 52.997 54.000 0.082 0.000 0.896 90 D CB 1.080 41.932 40.800 0.087 0.000 1.136 90 D HN 0.318 nan 8.370 nan 0.000 0.499 91 P HA -0.206 nan 4.420 nan 0.000 0.215 91 P C 0.922 178.210 177.300 -0.020 0.000 1.153 91 P CA 1.385 64.477 63.100 -0.013 0.000 0.853 91 P CB 0.424 32.117 31.700 -0.012 0.000 0.788 92 K N 0.489 120.884 120.400 -0.008 0.000 1.973 92 K HA -0.063 4.257 4.320 0.000 0.000 0.212 92 K C 2.561 179.147 176.600 -0.024 0.000 1.047 92 K CA 1.575 57.854 56.287 -0.014 0.000 0.937 92 K CB -1.062 31.436 32.500 -0.003 0.000 0.721 92 K HN -0.008 nan 8.250 nan 0.000 0.440 93 A N 1.554 124.364 122.820 -0.016 0.000 1.883 93 A HA -0.120 4.200 4.320 0.000 0.000 0.217 93 A C 2.522 180.075 177.584 -0.052 0.000 1.186 93 A CA 2.012 54.032 52.037 -0.028 0.000 0.624 93 A CB -1.498 17.502 19.000 -0.001 0.000 0.822 93 A HN 0.479 nan 8.150 nan 0.000 0.444 94 G N -1.361 107.413 108.800 -0.042 0.000 2.470 94 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 94 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 94 G C 1.569 176.410 174.900 -0.099 0.000 1.121 94 G CA 1.093 46.152 45.100 -0.068 0.000 0.766 94 G HN 0.640 nan 8.290 nan 0.000 0.553 95 Q N -0.966 118.785 119.800 -0.083 0.000 2.165 95 Q HA 0.116 4.456 4.340 0.000 0.000 0.197 95 Q C 2.385 178.327 176.000 -0.097 0.000 0.952 95 Q CA 0.216 55.965 55.803 -0.090 0.000 0.848 95 Q CB -0.159 28.540 28.738 -0.065 0.000 0.931 95 Q HN 0.327 nan 8.270 nan 0.000 0.470 96 L N 0.939 122.112 121.223 -0.083 0.000 2.013 96 L HA -0.212 4.128 4.340 0.000 0.000 0.212 96 L C 2.136 178.922 176.870 -0.140 0.000 1.073 96 L CA 1.580 56.371 54.840 -0.081 0.000 0.753 96 L CB -0.824 41.195 42.059 -0.067 0.000 0.890 96 L HN 0.366 nan 8.230 nan 0.000 0.432 97 L N -1.158 119.941 121.223 -0.207 0.000 2.012 97 L HA -0.239 4.101 4.340 0.000 0.000 0.210 97 L C 2.743 179.378 176.870 -0.392 0.000 1.073 97 L CA 2.243 56.850 54.840 -0.388 0.000 0.748 97 L CB -1.029 40.819 42.059 -0.352 0.000 0.891 97 L HN 0.458 nan 8.230 nan 0.000 0.431 98 S N -1.000 114.544 115.700 -0.262 0.000 2.382 98 S HA -0.220 4.250 4.470 0.000 0.000 0.228 98 S C 1.867 176.371 174.600 -0.160 0.000 1.027 98 S CA 1.530 59.585 58.200 -0.241 0.000 0.991 98 S CB -0.365 62.702 63.200 -0.222 0.000 0.823 98 S HN 0.622 nan 8.310 nan 0.000 0.469 99 E N -0.043 120.089 120.200 -0.113 0.000 2.338 99 E HA 0.017 4.367 4.350 0.000 0.000 0.197 99 E C 1.358 177.982 176.600 0.039 0.000 1.007 99 E CA 0.665 57.041 56.400 -0.041 0.000 0.849 99 E CB 0.009 29.693 29.700 -0.027 0.000 0.774 99 E HN 0.523 nan 8.360 nan 0.000 0.506 100 L N -0.907 120.339 121.223 0.038 0.000 2.664 100 L HA 0.142 4.482 4.340 0.000 0.000 0.233 100 L C 1.006 178.186 176.870 0.517 0.000 1.113 100 L CA -0.127 54.849 54.840 0.227 0.000 0.896 100 L CB 0.350 42.522 42.059 0.188 0.000 1.163 100 L HN 0.090 nan 8.230 nan 0.000 0.497 101 F N -0.553 119.394 119.950 -0.004 0.000 2.740 101 F HA 0.185 4.712 4.527 0.000 0.000 0.304 101 F C 1.698 177.363 175.800 -0.225 0.000 1.098 101 F CA -0.498 57.413 58.000 -0.149 0.000 1.258 101 F CB -0.289 38.602 39.000 -0.182 0.000 1.061 101 F HN -0.207 nan 8.300 nan 0.000 0.598 102 T N 2.450 116.995 114.554 -0.014 0.000 2.939 102 T HA -0.048 4.302 4.350 0.000 0.000 0.319 102 T C 1.050 175.742 174.700 -0.014 0.000 1.082 102 T CA 0.317 62.332 62.100 -0.141 0.000 1.133 102 T CB 0.228 69.009 68.868 -0.144 0.000 1.019 102 T HN 0.430 nan 8.240 nan 0.000 0.548 103 N N 3.258 121.896 118.700 -0.103 0.000 2.197 103 N HA 0.080 4.820 4.740 0.000 0.000 0.228 103 N C 0.108 175.540 175.510 -0.129 0.000 1.212 103 N CA -0.566 52.428 53.050 -0.094 0.000 0.883 103 N CB 0.333 38.792 38.487 -0.046 0.000 1.107 103 N HN 0.703 nan 8.380 nan 0.000 0.519 104 R N 0.539 120.976 120.500 -0.105 0.000 2.758 104 R HA 0.420 4.760 4.340 0.000 0.000 0.265 104 R C 1.135 177.396 176.300 -0.065 0.000 1.016 104 R CA -0.863 55.199 56.100 -0.063 0.000 1.040 104 R CB 1.368 31.648 30.300 -0.033 0.000 1.152 104 R HN -0.153 nan 8.270 nan 0.000 0.503 105 K N 0.904 121.286 120.400 -0.030 0.000 1.972 105 K HA -0.250 4.070 4.320 0.000 0.000 0.227 105 K C -0.070 176.515 176.600 -0.026 0.000 1.046 105 K CA 1.750 58.024 56.287 -0.021 0.000 1.013 105 K CB -0.671 31.833 32.500 0.006 0.000 0.741 105 K HN 0.789 nan 8.250 nan 0.000 0.446 106 E N 2.059 122.249 120.200 -0.018 0.000 2.313 106 E HA 0.160 4.510 4.350 0.000 0.000 0.272 106 E C -0.822 175.749 176.600 -0.049 0.000 1.038 106 E CA -1.046 55.340 56.400 -0.024 0.000 0.863 106 E CB 0.497 30.191 29.700 -0.010 0.000 1.060 106 E HN 0.169 nan 8.360 nan 0.000 0.402 107 N N 2.979 121.646 118.700 -0.056 0.000 2.497 107 N HA 0.080 4.820 4.740 0.000 0.000 0.268 107 N C -0.289 175.156 175.510 -0.108 0.000 1.171 107 N CA -0.129 52.868 53.050 -0.087 0.000 0.948 107 N CB 0.665 39.110 38.487 -0.071 0.000 1.069 107 N HN 0.472 nan 8.380 nan 0.000 0.460 108 I N 4.430 124.895 120.570 -0.175 0.000 2.347 108 I HA 0.128 4.298 4.170 0.000 0.000 0.294 108 I C -1.585 174.423 176.117 -0.182 0.000 1.090 108 I CA -2.006 59.162 61.300 -0.221 0.000 1.314 108 I CB -0.201 37.514 38.000 -0.473 0.000 1.423 108 I HN 0.229 nan 8.210 nan 0.000 0.503 109 P HA 0.352 nan 4.420 nan 0.000 0.276 109 P C -0.889 176.355 177.300 -0.092 0.000 1.230 109 P CA -0.199 62.847 63.100 -0.090 0.000 0.776 109 P CB 1.577 33.242 31.700 -0.057 0.000 0.888 110 L N 1.524 122.691 121.223 -0.094 0.000 2.376 110 L HA 0.544 4.884 4.340 0.000 0.000 0.258 110 L C 0.236 177.059 176.870 -0.078 0.000 1.013 110 L CA -1.060 53.727 54.840 -0.089 0.000 0.822 110 L CB 2.684 44.674 42.059 -0.114 0.000 1.388 110 L HN 0.309 nan 8.230 nan 0.000 0.413 111 K N 1.620 121.975 120.400 -0.076 0.000 2.274 111 K HA 0.584 4.904 4.320 0.000 0.000 0.262 111 K C -0.981 175.564 176.600 -0.092 0.000 0.961 111 K CA -0.608 55.634 56.287 -0.075 0.000 0.833 111 K CB 1.260 33.720 32.500 -0.067 0.000 1.102 111 K HN 0.445 nan 8.250 nan 0.000 0.436 112 L N 2.015 123.178 121.223 -0.099 0.000 2.452 112 L HA 0.257 4.597 4.340 0.000 0.000 0.267 112 L C 0.331 177.115 176.870 -0.143 0.000 1.188 112 L CA 0.115 54.876 54.840 -0.131 0.000 0.821 112 L CB 1.191 43.167 42.059 -0.139 0.000 1.102 112 L HN 0.668 nan 8.230 nan 0.000 0.470 113 S N -0.257 115.331 115.700 -0.186 0.000 2.580 113 S HA 0.154 4.624 4.470 0.000 0.000 0.281 113 S C 0.150 174.597 174.600 -0.256 0.000 1.129 113 S CA -0.687 57.401 58.200 -0.187 0.000 0.862 113 S CB 1.366 64.498 63.200 -0.114 0.000 1.090 113 S HN 0.749 nan 8.310 nan 0.000 0.451 114 E N 1.010 121.038 120.200 -0.286 0.000 2.150 114 E HA -0.103 4.247 4.350 0.000 0.000 0.193 114 E C -0.099 176.380 176.600 -0.200 0.000 0.985 114 E CA 0.918 57.110 56.400 -0.347 0.000 0.814 114 E CB 0.039 29.569 29.700 -0.284 0.000 0.752 114 E HN 0.607 nan 8.360 nan 0.000 0.466 115 D N 0.173 120.503 120.400 -0.117 0.000 2.416 115 D HA -0.030 4.610 4.640 0.000 0.000 0.240 115 D C -0.057 176.300 176.300 0.095 0.000 1.250 115 D CA -0.221 53.758 54.000 -0.035 0.000 0.967 115 D CB 0.010 40.814 40.800 0.006 0.000 1.059 115 D HN 0.132 nan 8.370 nan 0.000 0.512 116 c N 2.846 121.472 118.600 0.044 0.000 3.722 116 c HA 0.348 4.918 4.570 0.000 0.000 0.279 116 c C 0.678 174.840 174.090 0.119 0.000 1.819 116 c CA -0.766 55.669 56.329 0.177 0.000 1.744 116 c CB -1.266 41.261 42.510 0.027 0.000 3.247 116 c HN 0.498 nan 8.230 nan 0.000 0.549 117 L N 2.489 123.549 121.223 -0.271 0.000 2.391 117 L HA 0.348 4.688 4.340 0.000 0.000 0.249 117 L C -0.762 175.726 176.870 -0.636 0.000 1.308 117 L CA 0.707 55.251 54.840 -0.494 0.000 1.209 117 L CB -0.865 40.667 42.059 -0.878 0.000 1.401 117 L HN 0.421 nan 8.230 nan 0.000 0.416 118 Y N 1.619 122.059 120.300 0.233 0.000 2.633 118 Y HA 0.702 5.252 4.550 -0.000 0.000 0.339 118 Y C -0.119 175.942 175.900 0.267 0.000 1.045 118 Y CA -1.379 56.876 58.100 0.259 0.000 1.098 118 Y CB 1.819 40.323 38.460 0.074 0.000 1.296 118 Y HN 0.138 nan 8.280 nan 0.000 0.494 119 L N -0.250 121.107 121.223 0.224 0.000 2.445 119 L HA 0.689 5.029 4.340 0.000 0.000 0.262 119 L C -1.305 175.601 176.870 0.059 0.000 0.974 119 L CA -1.187 53.684 54.840 0.052 0.000 0.822 119 L CB 1.554 43.483 42.059 -0.216 0.000 1.339 119 L HN 0.396 nan 8.230 nan 0.000 0.409 120 N N 2.341 121.134 118.700 0.155 0.000 2.492 120 N HA 0.705 5.445 4.740 0.000 0.000 0.289 120 N C -0.985 174.634 175.510 0.183 0.000 1.133 120 N CA -0.212 52.942 53.050 0.174 0.000 0.961 120 N CB 2.273 40.956 38.487 0.326 0.000 1.186 120 N HN 0.677 nan 8.380 nan 0.000 0.493 121 I N 1.578 122.199 120.570 0.085 0.000 2.498 121 I HA 0.257 4.427 4.170 0.000 0.000 0.290 121 I C -1.149 175.037 176.117 0.116 0.000 1.032 121 I CA -0.697 60.676 61.300 0.123 0.000 1.073 121 I CB 1.371 39.278 38.000 -0.155 0.000 1.251 121 I HN 0.337 nan 8.210 nan 0.000 0.426 122 Y N 3.467 123.902 120.300 0.226 0.000 2.805 122 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 122 Y C 0.413 176.449 175.900 0.227 0.000 1.012 122 Y CA -0.694 57.549 58.100 0.239 0.000 1.262 122 Y CB 1.662 40.238 38.460 0.192 0.000 1.100 122 Y HN 0.370 nan 8.280 nan 0.000 0.559 123 T N 4.681 119.463 114.554 0.380 0.000 2.758 123 T HA 0.312 4.662 4.350 0.000 0.000 0.285 123 T C -1.976 172.895 174.700 0.286 0.000 0.981 123 T CA -2.220 60.075 62.100 0.325 0.000 0.965 123 T CB 1.088 70.176 68.868 0.366 0.000 0.927 123 T HN 0.294 nan 8.240 nan 0.000 0.448 124 P HA 0.282 nan 4.420 nan 0.000 0.257 124 P C 0.254 177.634 177.300 0.133 0.000 1.281 124 P CA -0.213 62.972 63.100 0.143 0.000 0.826 124 P CB -0.014 31.733 31.700 0.079 0.000 1.237 125 A N 0.791 123.709 122.820 0.162 0.000 2.366 125 A HA 0.151 4.471 4.320 0.000 0.000 0.249 125 A C 0.009 177.675 177.584 0.137 0.000 1.084 125 A CA -0.087 52.030 52.037 0.134 0.000 0.794 125 A CB -0.308 18.776 19.000 0.140 0.000 1.034 125 A HN -0.019 nan 8.150 nan 0.000 0.491 126 D N 1.424 121.883 120.400 0.098 0.000 2.468 126 D HA 0.332 4.972 4.640 0.000 0.000 0.218 126 D C 1.079 177.440 176.300 0.102 0.000 1.155 126 D CA -0.126 53.927 54.000 0.088 0.000 0.924 126 D CB -0.276 40.554 40.800 0.051 0.000 1.029 126 D HN 0.416 nan 8.370 nan 0.000 0.515 127 L N 2.120 123.431 121.223 0.147 0.000 2.197 127 L HA -0.241 4.099 4.340 0.000 0.000 0.215 127 L C 2.544 179.460 176.870 0.077 0.000 1.095 127 L CA 1.572 56.483 54.840 0.117 0.000 0.764 127 L CB -1.190 40.964 42.059 0.158 0.000 0.897 127 L HN 0.515 nan 8.230 nan 0.000 0.436 128 T N -2.204 112.401 114.554 0.085 0.000 2.665 128 T HA -0.192 4.158 4.350 0.000 0.000 0.268 128 T C 1.258 175.981 174.700 0.038 0.000 1.035 128 T CA 1.063 63.199 62.100 0.060 0.000 1.151 128 T CB -0.052 68.850 68.868 0.057 0.000 0.862 128 T HN 0.343 nan 8.240 nan 0.000 0.438 129 K N 0.628 121.050 120.400 0.038 0.000 2.727 129 K HA 0.486 4.806 4.320 0.000 0.000 0.299 129 K C -0.124 176.490 176.600 0.024 0.000 0.996 129 K CA -0.859 55.444 56.287 0.027 0.000 1.212 129 K CB 0.426 32.941 32.500 0.025 0.000 1.529 129 K HN 0.098 nan 8.250 nan 0.000 0.646 130 K N 1.387 121.800 120.400 0.020 0.000 2.425 130 K HA 0.236 4.556 4.320 0.000 0.000 0.259 130 K C -1.372 175.242 176.600 0.024 0.000 0.978 130 K CA -0.170 56.127 56.287 0.017 0.000 0.883 130 K CB 0.564 33.069 32.500 0.009 0.000 1.110 130 K HN 0.489 nan 8.250 nan 0.000 0.436 131 N N 2.976 121.696 118.700 0.033 0.000 2.240 131 N HA 0.366 5.106 4.740 0.000 0.000 0.302 131 N C -0.969 174.564 175.510 0.039 0.000 1.106 131 N CA -0.962 52.111 53.050 0.039 0.000 0.778 131 N CB 1.542 40.062 38.487 0.056 0.000 1.431 131 N HN 0.258 nan 8.380 nan 0.000 0.479 132 R N 1.755 122.274 120.500 0.031 0.000 2.782 132 R HA 0.368 4.708 4.340 0.000 0.000 0.293 132 R C -0.791 175.525 176.300 0.027 0.000 1.333 132 R CA -0.361 55.755 56.100 0.026 0.000 1.479 132 R CB -0.107 30.197 30.300 0.007 0.000 1.306 132 R HN 0.479 nan 8.270 nan 0.000 0.654 133 L N 2.331 123.581 121.223 0.045 0.000 2.467 133 L HA 0.278 4.618 4.340 0.000 0.000 0.270 133 L C -1.561 175.336 176.870 0.046 0.000 1.205 133 L CA -1.475 53.393 54.840 0.047 0.000 0.828 133 L CB 0.390 42.490 42.059 0.068 0.000 1.101 133 L HN 0.121 nan 8.230 nan 0.000 0.479 134 P HA 0.049 nan 4.420 nan 0.000 0.269 134 P C -1.098 176.243 177.300 0.067 0.000 1.215 134 P CA -0.132 62.987 63.100 0.031 0.000 0.780 134 P CB 1.005 32.708 31.700 0.005 0.000 0.898 135 V N 3.919 123.885 119.914 0.086 0.000 2.409 135 V HA 0.361 4.481 4.120 0.000 0.000 0.291 135 V C 0.529 176.720 176.094 0.162 0.000 1.020 135 V CA -0.415 61.963 62.300 0.129 0.000 0.848 135 V CB 1.201 33.104 31.823 0.133 0.000 0.990 135 V HN 0.497 nan 8.190 nan 0.000 0.430 136 M N 4.814 124.545 119.600 0.217 0.000 2.047 136 M HA 0.430 4.910 4.480 0.000 0.000 0.342 136 M C -0.883 175.794 176.300 0.628 0.000 1.058 136 M CA -0.518 54.991 55.300 0.349 0.000 0.991 136 M CB 1.660 34.368 32.600 0.180 0.000 1.474 136 M HN 0.425 nan 8.290 nan 0.000 0.419 137 V N 4.023 124.263 119.914 0.543 0.000 2.385 137 V HA 0.195 4.315 4.120 0.000 0.000 0.269 137 V C -0.507 175.710 176.094 0.205 0.000 1.043 137 V CA -0.482 62.024 62.300 0.343 0.000 0.906 137 V CB 0.641 32.564 31.823 0.167 0.000 0.995 137 V HN 0.812 nan 8.190 nan 0.000 0.467 138 W N 7.341 128.504 121.300 -0.229 0.000 2.335 138 W HA 0.551 5.211 4.660 -0.000 0.000 0.307 138 W C -1.123 175.193 176.519 -0.337 0.000 1.117 138 W CA -0.998 55.929 57.345 -0.695 0.000 1.228 138 W CB 1.171 30.224 29.460 -0.678 0.000 1.240 138 W HN 0.428 nan 8.180 nan 0.000 0.468 139 I N 8.199 128.084 120.570 -1.141 0.000 2.304 139 I HA 0.035 4.205 4.170 0.000 0.000 0.291 139 I C 1.320 176.734 176.117 -1.173 0.000 1.018 139 I CA -0.659 60.138 61.300 -0.839 0.000 1.260 139 I CB 0.667 38.316 38.000 -0.585 0.000 1.390 139 I HN 0.415 nan 8.210 nan 0.000 0.475 140 H N 5.160 123.938 119.070 -0.485 0.000 2.801 140 H HA 0.393 4.949 4.556 -0.000 0.000 0.377 140 H C -0.061 175.299 175.328 0.053 0.000 1.304 140 H CA -0.313 55.654 56.048 -0.137 0.000 1.451 140 H CB 0.920 30.913 29.762 0.385 0.000 1.474 140 H HN 0.626 nan 8.280 nan 0.000 0.620 141 G N -2.243 106.796 108.800 0.398 0.000 3.209 141 G HA2 0.490 4.450 3.960 0.000 0.000 0.236 141 G HA3 0.490 4.450 3.960 0.000 0.000 0.236 141 G C 0.091 175.283 174.900 0.486 0.000 1.329 141 G CA -0.812 44.499 45.100 0.352 0.000 1.015 141 G HN 1.233 nan 8.290 nan 0.000 0.571 142 G N -2.319 106.694 108.800 0.356 0.000 2.330 142 G HA2 0.406 4.366 3.960 0.000 0.000 0.125 142 G HA3 0.406 4.366 3.960 0.000 0.000 0.125 142 G C 1.087 176.096 174.900 0.182 0.000 1.060 142 G CA 0.741 45.995 45.100 0.256 0.000 0.743 142 G HN 2.389 nan 8.290 nan 0.000 0.480 143 G N -0.278 108.617 108.800 0.158 0.000 2.212 143 G HA2 -0.184 3.776 3.960 0.000 0.000 0.267 143 G HA3 -0.184 3.776 3.960 0.000 0.000 0.267 143 G C 1.185 176.091 174.900 0.010 0.000 1.002 143 G CA 0.833 45.976 45.100 0.071 0.000 0.729 143 G HN 1.872 nan 8.290 nan 0.000 0.517 144 L N -3.521 117.756 121.223 0.090 0.000 4.625 144 L HA -0.300 4.040 4.340 0.000 0.000 0.428 144 L C 2.114 179.077 176.870 0.155 0.000 1.129 144 L CA 1.640 56.552 54.840 0.120 0.000 0.978 144 L CB -1.365 40.466 42.059 -0.379 0.000 2.043 144 L HN 0.433 nan 8.230 nan 0.000 0.847 145 M N -1.408 118.262 119.600 0.118 0.000 2.800 145 M HA 0.297 4.777 4.480 0.000 0.000 0.257 145 M C 0.920 177.296 176.300 0.126 0.000 1.309 145 M CA 1.365 56.728 55.300 0.105 0.000 1.202 145 M CB 0.216 32.851 32.600 0.058 0.000 1.273 145 M HN 0.225 nan 8.290 nan 0.000 0.528 146 V N -2.324 117.656 119.914 0.110 0.000 3.158 146 V HA 1.048 5.168 4.120 0.000 0.000 0.311 146 V C -0.254 175.875 176.094 0.058 0.000 1.181 146 V CA -0.301 62.033 62.300 0.056 0.000 1.054 146 V CB 1.257 33.091 31.823 0.019 0.000 1.085 146 V HN 0.553 nan 8.190 nan 0.000 0.446 147 G N -0.591 108.166 108.800 -0.072 0.000 2.465 147 G HA2 0.591 4.551 3.960 0.000 0.000 0.681 147 G HA3 0.591 4.551 3.960 0.000 0.000 0.681 147 G C -0.740 173.805 174.900 -0.593 0.000 1.340 147 G CA -0.044 44.924 45.100 -0.220 0.000 0.884 147 G HN 2.510 nan 8.290 nan 0.000 0.650 148 A N -0.337 122.096 122.820 -0.646 0.000 2.574 148 A HA 1.033 5.353 4.320 0.000 0.000 0.297 148 A C 0.744 178.214 177.584 -0.190 0.000 1.062 148 A CA 0.479 52.242 52.037 -0.457 0.000 0.686 148 A CB 1.238 20.089 19.000 -0.248 0.000 1.285 148 A HN 2.539 nan 8.150 nan 0.000 0.403 149 A N 0.657 123.497 122.820 0.034 0.000 2.016 149 A HA 0.115 4.435 4.320 0.000 0.000 0.217 149 A C 1.975 179.713 177.584 0.256 0.000 1.162 149 A CA 2.033 54.260 52.037 0.317 0.000 0.662 149 A CB -0.703 18.503 19.000 0.343 0.000 0.812 149 A HN 1.768 nan 8.150 nan 0.000 0.450 150 S N -1.016 114.751 115.700 0.112 0.000 2.555 150 S HA -0.073 4.397 4.470 0.000 0.000 0.230 150 S C 1.509 176.013 174.600 -0.159 0.000 0.978 150 S CA 1.341 59.575 58.200 0.056 0.000 0.934 150 S CB -0.702 62.502 63.200 0.007 0.000 0.766 150 S HN 0.442 nan 8.310 nan 0.000 0.533 151 T N 1.154 115.573 114.554 -0.225 0.000 2.821 151 T HA 0.030 4.380 4.350 0.000 0.000 0.267 151 T C -0.229 174.137 174.700 -0.557 0.000 1.046 151 T CA 0.861 62.687 62.100 -0.457 0.000 1.139 151 T CB -0.359 68.116 68.868 -0.656 0.000 0.871 151 T HN 0.576 nan 8.240 nan 0.000 0.454 152 Y N 2.309 122.473 120.300 -0.227 0.000 2.535 152 Y HA 0.360 4.910 4.550 -0.000 0.000 0.349 152 Y C 0.275 175.962 175.900 -0.355 0.000 0.992 152 Y CA -1.774 56.029 58.100 -0.496 0.000 1.248 152 Y CB 0.082 37.995 38.460 -0.912 0.000 1.124 152 Y HN -0.046 nan 8.280 nan 0.000 0.520 153 D N 2.393 122.687 120.400 -0.178 0.000 2.390 153 D HA 0.113 4.753 4.640 0.000 0.000 0.249 153 D C 0.850 176.978 176.300 -0.286 0.000 1.144 153 D CA 0.139 54.069 54.000 -0.115 0.000 0.880 153 D CB 1.476 42.277 40.800 0.001 0.000 1.182 153 D HN 0.818 nan 8.370 nan 0.000 0.451 154 G N 3.136 111.312 108.800 -1.041 0.000 3.502 154 G HA2 0.003 3.963 3.960 0.000 0.000 0.267 154 G HA3 0.003 3.963 3.960 0.000 0.000 0.267 154 G C 1.123 175.770 174.900 -0.421 0.000 1.090 154 G CA -0.195 44.341 45.100 -0.940 0.000 0.795 154 G HN 0.461 nan 8.290 nan 0.000 0.535 155 L N 1.446 122.630 121.223 -0.065 0.000 2.005 155 L HA 0.244 4.584 4.340 0.000 0.000 0.207 155 L C 2.827 179.701 176.870 0.007 0.000 1.072 155 L CA 2.434 57.368 54.840 0.157 0.000 0.744 155 L CB -0.801 41.374 42.059 0.194 0.000 0.895 155 L HN 0.176 nan 8.230 nan 0.000 0.433 156 A N -0.130 122.683 122.820 -0.011 0.000 1.842 156 A HA -0.278 4.042 4.320 0.000 0.000 0.217 156 A C 2.279 179.799 177.584 -0.107 0.000 1.206 156 A CA 2.427 54.429 52.037 -0.059 0.000 0.630 156 A CB -1.478 17.529 19.000 0.011 0.000 0.839 156 A HN 0.542 nan 8.150 nan 0.000 0.447 157 L N -0.216 120.949 121.223 -0.097 0.000 1.963 157 L HA -0.221 4.119 4.340 0.000 0.000 0.220 157 L C 2.720 179.550 176.870 -0.066 0.000 1.076 157 L CA 2.961 57.735 54.840 -0.109 0.000 0.772 157 L CB -1.133 40.814 42.059 -0.187 0.000 0.892 157 L HN 0.465 nan 8.230 nan 0.000 0.435 158 A N -0.763 122.041 122.820 -0.028 0.000 1.940 158 A HA -0.272 4.048 4.320 0.000 0.000 0.221 158 A C 2.399 179.956 177.584 -0.045 0.000 1.190 158 A CA 2.868 54.923 52.037 0.030 0.000 0.647 158 A CB -1.360 17.724 19.000 0.139 0.000 0.821 158 A HN 0.737 nan 8.150 nan 0.000 0.457 159 A N -2.028 120.682 122.820 -0.183 0.000 1.855 159 A HA -0.078 4.242 4.320 0.000 0.000 0.213 159 A C 2.094 179.369 177.584 -0.516 0.000 1.195 159 A CA 1.276 53.032 52.037 -0.468 0.000 0.610 159 A CB -0.886 17.588 19.000 -0.875 0.000 0.837 159 A HN 0.648 nan 8.150 nan 0.000 0.444 160 H N -0.387 118.392 119.070 -0.485 0.000 2.352 160 H HA -0.056 4.500 4.556 0.000 0.000 0.299 160 H C 0.916 176.232 175.328 -0.020 0.000 1.097 160 H CA 1.659 57.607 56.048 -0.167 0.000 1.311 160 H CB 0.267 29.895 29.762 -0.224 0.000 1.377 160 H HN 0.399 nan 8.280 nan 0.000 0.504 161 E N 0.242 120.480 120.200 0.063 0.000 2.501 161 E HA 0.010 4.360 4.350 0.000 0.000 0.201 161 E C -0.120 176.509 176.600 0.048 0.000 1.016 161 E CA -0.309 56.128 56.400 0.062 0.000 0.920 161 E CB -0.225 29.504 29.700 0.048 0.000 1.023 161 E HN 0.362 nan 8.360 nan 0.000 0.474 162 N N 0.884 119.604 118.700 0.034 0.000 2.642 162 N HA -0.176 4.564 4.740 0.000 0.000 0.269 162 N C -0.809 174.732 175.510 0.052 0.000 1.073 162 N CA 0.679 53.755 53.050 0.043 0.000 0.748 162 N CB -0.679 37.840 38.487 0.054 0.000 0.894 162 N HN 0.021 nan 8.380 nan 0.000 0.548 163 V N -2.004 117.946 119.914 0.059 0.000 3.012 163 V HA 0.573 4.693 4.120 0.000 0.000 0.307 163 V C 0.218 176.380 176.094 0.114 0.000 1.166 163 V CA -1.041 61.304 62.300 0.075 0.000 0.974 163 V CB 2.039 33.896 31.823 0.058 0.000 1.040 163 V HN -0.092 nan 8.190 nan 0.000 0.428 164 V N 3.386 123.382 119.914 0.136 0.000 2.439 164 V HA 0.314 4.434 4.120 0.000 0.000 0.271 164 V C 0.304 176.525 176.094 0.213 0.000 1.040 164 V CA -0.136 62.275 62.300 0.184 0.000 1.002 164 V CB 1.011 32.937 31.823 0.172 0.000 1.000 164 V HN 0.718 nan 8.190 nan 0.000 0.477 165 V N 6.632 126.704 119.914 0.264 0.000 2.350 165 V HA 0.374 4.494 4.120 0.000 0.000 0.276 165 V C 0.040 176.356 176.094 0.369 0.000 1.028 165 V CA -0.394 62.085 62.300 0.298 0.000 0.860 165 V CB 1.580 33.529 31.823 0.210 0.000 0.990 165 V HN 0.637 nan 8.190 nan 0.000 0.453 166 V N 3.964 124.087 119.914 0.348 0.000 2.483 166 V HA 0.605 4.725 4.120 0.000 0.000 0.295 166 V C 0.352 176.634 176.094 0.313 0.000 1.035 166 V CA -0.502 61.982 62.300 0.307 0.000 0.896 166 V CB 2.028 33.978 31.823 0.212 0.000 0.986 166 V HN 0.954 nan 8.190 nan 0.000 0.447 167 T N 2.253 116.994 114.554 0.312 0.000 2.977 167 T HA 0.655 5.005 4.350 0.000 0.000 0.346 167 T C -0.454 174.389 174.700 0.238 0.000 1.140 167 T CA -0.450 61.847 62.100 0.328 0.000 1.040 167 T CB 0.292 69.398 68.868 0.396 0.000 1.046 167 T HN 0.635 nan 8.240 nan 0.000 0.494 168 I N 0.430 121.092 120.570 0.153 0.000 2.713 168 I HA 0.600 4.770 4.170 0.000 0.000 0.300 168 I C -0.133 176.132 176.117 0.248 0.000 1.009 168 I CA -0.913 60.428 61.300 0.068 0.000 1.305 168 I CB 1.015 38.944 38.000 -0.119 0.000 1.430 168 I HN 0.470 nan 8.210 nan 0.000 0.546 169 Q N 2.453 122.429 119.800 0.293 0.000 2.359 169 Q HA 0.574 4.914 4.340 0.000 0.000 0.275 169 Q C -1.773 174.476 176.000 0.415 0.000 1.082 169 Q CA -0.840 55.180 55.803 0.361 0.000 0.849 169 Q CB 2.655 31.567 28.738 0.291 0.000 1.377 169 Q HN 0.770 nan 8.270 nan 0.000 0.452 170 Y N -2.851 117.646 120.300 0.328 0.000 2.558 170 Y HA 0.505 5.055 4.550 -0.000 0.000 0.333 170 Y C -0.946 175.081 175.900 0.212 0.000 1.125 170 Y CA -1.378 56.869 58.100 0.244 0.000 1.039 170 Y CB 0.788 39.344 38.460 0.161 0.000 1.331 170 Y HN 0.420 nan 8.280 nan 0.000 0.456 171 R N 2.380 123.004 120.500 0.207 0.000 2.697 171 R HA 0.380 4.720 4.340 0.000 0.000 0.265 171 R C -0.901 175.547 176.300 0.247 0.000 1.009 171 R CA 0.222 56.412 56.100 0.150 0.000 1.099 171 R CB 0.218 30.606 30.300 0.147 0.000 0.965 171 R HN 0.711 nan 8.270 nan 0.000 0.428 172 L N 0.468 121.856 121.223 0.275 0.000 2.230 172 L HA 0.550 4.890 4.340 0.000 0.000 0.255 172 L C 1.137 178.304 176.870 0.494 0.000 1.039 172 L CA -0.538 54.550 54.840 0.413 0.000 0.846 172 L CB 1.117 43.326 42.059 0.249 0.000 1.419 172 L HN 0.854 nan 8.230 nan 0.000 0.435 173 G N 0.084 109.126 108.800 0.403 0.000 2.564 173 G HA2 -0.314 3.646 3.960 0.000 0.000 0.309 173 G HA3 -0.314 3.646 3.960 0.000 0.000 0.309 173 G C 0.892 175.945 174.900 0.255 0.000 1.320 173 G CA 0.600 45.840 45.100 0.233 0.000 0.941 173 G HN 0.695 nan 8.290 nan 0.000 0.543 174 I N -0.735 119.851 120.570 0.027 0.000 2.185 174 I HA -0.252 3.918 4.170 0.000 0.000 0.246 174 I C 2.773 178.998 176.117 0.181 0.000 1.088 174 I CA 2.439 63.732 61.300 -0.011 0.000 1.347 174 I CB -0.356 37.444 38.000 -0.334 0.000 1.041 174 I HN 0.543 nan 8.210 nan 0.000 0.415 175 W N 0.647 122.122 121.300 0.292 0.000 2.342 175 W HA -0.113 4.547 4.660 0.000 0.000 0.297 175 W C 2.348 179.031 176.519 0.273 0.000 1.213 175 W CA 1.458 58.946 57.345 0.237 0.000 1.251 175 W CB -0.867 28.630 29.460 0.062 0.000 1.136 175 W HN 0.244 nan 8.180 nan 0.000 0.526 176 G N -2.751 106.289 108.800 0.400 0.000 3.044 176 G HA2 0.091 4.051 3.960 0.000 0.000 0.223 176 G HA3 0.091 4.051 3.960 0.000 0.000 0.223 176 G C 0.649 175.199 174.900 -0.583 0.000 1.123 176 G CA -0.016 45.100 45.100 0.027 0.000 0.765 176 G HN 0.113 nan 8.290 nan 0.000 0.546 177 F N -1.025 119.091 119.950 0.277 0.000 2.856 177 F HA 0.408 4.935 4.527 -0.000 0.000 0.338 177 F C 0.239 176.045 175.800 0.011 0.000 1.100 177 F CA -1.628 56.389 58.000 0.029 0.000 1.150 177 F CB 0.343 39.311 39.000 -0.054 0.000 1.101 177 F HN 0.006 nan 8.300 nan 0.000 0.548 178 F N 2.451 122.469 119.950 0.115 0.000 2.557 178 F HA 0.339 4.866 4.527 -0.000 0.000 0.384 178 F C 0.444 176.206 175.800 -0.063 0.000 1.057 178 F CA 0.068 58.050 58.000 -0.031 0.000 1.169 178 F CB 0.316 39.178 39.000 -0.232 0.000 1.070 178 F HN -0.089 nan 8.300 nan 0.000 0.554 179 S N 3.642 118.955 115.700 -0.644 0.000 2.536 179 S HA 0.399 4.869 4.470 0.000 0.000 0.287 179 S C 0.438 174.642 174.600 -0.660 0.000 1.101 179 S CA -0.035 57.848 58.200 -0.529 0.000 0.950 179 S CB 1.526 64.521 63.200 -0.342 0.000 1.056 179 S HN 0.781 nan 8.310 nan 0.000 0.481 180 T N 0.425 114.725 114.554 -0.423 0.000 3.040 180 T HA 0.408 4.758 4.350 0.000 0.000 0.250 180 T C 1.415 176.029 174.700 -0.143 0.000 1.058 180 T CA 0.584 62.515 62.100 -0.280 0.000 0.988 180 T CB -0.059 68.753 68.868 -0.094 0.000 0.993 180 T HN 1.870 nan 8.240 nan 0.000 0.519 181 G N 2.028 110.745 108.800 -0.138 0.000 2.141 181 G HA2 -0.160 3.800 3.960 0.000 0.000 0.242 181 G HA3 -0.160 3.800 3.960 0.000 0.000 0.242 181 G C -0.411 174.455 174.900 -0.058 0.000 0.982 181 G CA 0.177 45.220 45.100 -0.094 0.000 0.662 181 G HN 0.780 nan 8.290 nan 0.000 0.527 182 D N -0.956 119.421 120.400 -0.037 0.000 2.744 182 D HA 0.371 5.011 4.640 0.000 0.000 0.304 182 D C 1.205 177.472 176.300 -0.054 0.000 1.179 182 D CA -0.086 53.885 54.000 -0.048 0.000 1.024 182 D CB -0.065 40.712 40.800 -0.038 0.000 1.453 182 D HN 0.115 nan 8.370 nan 0.000 0.529 183 E N 0.289 120.404 120.200 -0.142 0.000 2.331 183 E HA -0.226 4.124 4.350 0.000 0.000 0.199 183 E C 0.942 177.521 176.600 -0.036 0.000 1.008 183 E CA 1.334 57.664 56.400 -0.116 0.000 0.843 183 E CB -0.556 29.029 29.700 -0.192 0.000 0.761 183 E HN 0.438 nan 8.360 nan 0.000 0.507 184 H N 0.504 119.634 119.070 0.101 0.000 2.524 184 H HA 0.157 4.713 4.556 0.000 0.000 0.282 184 H C 0.437 175.891 175.328 0.210 0.000 1.016 184 H CA 1.127 57.254 56.048 0.131 0.000 1.270 184 H CB 0.411 30.236 29.762 0.104 0.000 1.394 184 H HN 0.173 nan 8.280 nan 0.000 0.568 185 S N -0.392 115.499 115.700 0.319 0.000 2.927 185 S HA 0.116 4.587 4.470 0.000 0.000 0.136 185 S C 0.840 175.551 174.600 0.185 0.000 0.831 185 S CA -0.564 57.910 58.200 0.457 0.000 0.882 185 S CB -0.179 63.286 63.200 0.441 0.000 1.612 185 S HN 0.194 nan 8.310 nan 0.000 0.579 186 R N 1.326 121.879 120.500 0.089 0.000 2.119 186 R HA 0.111 4.451 4.340 0.000 0.000 0.246 186 R C 1.576 177.630 176.300 -0.411 0.000 1.146 186 R CA 1.548 57.563 56.100 -0.142 0.000 0.962 186 R CB -0.341 29.893 30.300 -0.109 0.000 0.863 186 R HN 0.949 nan 8.270 nan 0.000 0.442 187 G N -0.526 107.685 108.800 -0.982 0.000 2.428 187 G HA2 -0.241 3.719 3.960 0.000 0.000 0.202 187 G HA3 -0.241 3.719 3.960 0.000 0.000 0.202 187 G C -0.545 173.555 174.900 -1.333 0.000 1.247 187 G CA -0.315 43.995 45.100 -1.317 0.000 1.020 187 G HN 0.264 nan 8.290 nan 0.000 0.529 188 N N -0.728 117.543 118.700 -0.714 0.000 2.693 188 N HA -0.215 4.525 4.740 0.000 0.000 0.249 188 N C 1.352 176.624 175.510 -0.397 0.000 1.119 188 N CA 1.942 54.777 53.050 -0.358 0.000 0.717 188 N CB -1.413 37.031 38.487 -0.072 0.000 1.071 188 N HN 0.677 nan 8.380 nan 0.000 0.555 189 W N 0.627 121.782 121.300 -0.241 0.000 2.302 189 W HA -0.220 4.440 4.660 -0.000 0.000 0.320 189 W C 2.569 178.939 176.519 -0.249 0.000 1.241 189 W CA 0.892 58.130 57.345 -0.179 0.000 1.264 189 W CB -0.820 28.572 29.460 -0.113 0.000 1.154 189 W HN 0.307 nan 8.180 nan 0.000 0.483 190 G N -0.578 107.950 108.800 -0.453 0.000 2.475 190 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 190 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 190 G C 1.148 176.056 174.900 0.012 0.000 1.125 190 G CA 1.454 46.394 45.100 -0.266 0.000 0.755 190 G HN 0.302 nan 8.290 nan 0.000 0.565 191 H N 0.069 119.136 119.070 -0.005 0.000 2.436 191 H HA 0.159 4.715 4.556 0.000 0.000 0.294 191 H C 2.676 178.028 175.328 0.039 0.000 1.048 191 H CA 0.477 56.534 56.048 0.015 0.000 1.353 191 H CB -0.245 29.537 29.762 0.032 0.000 1.414 191 H HN 0.282 nan 8.280 nan 0.000 0.536 192 L N 0.389 121.731 121.223 0.199 0.000 2.275 192 L HA -0.126 4.214 4.340 0.000 0.000 0.215 192 L C 1.627 178.623 176.870 0.209 0.000 1.119 192 L CA 0.782 55.733 54.840 0.186 0.000 0.790 192 L CB -0.089 42.097 42.059 0.212 0.000 0.919 192 L HN 0.095 nan 8.230 nan 0.000 0.443 193 D N -0.307 120.235 120.400 0.235 0.000 2.194 193 D HA -0.120 4.520 4.640 0.000 0.000 0.204 193 D C 2.240 178.763 176.300 0.371 0.000 0.964 193 D CA 0.866 55.064 54.000 0.330 0.000 0.846 193 D CB 0.057 41.057 40.800 0.333 0.000 0.962 193 D HN 0.386 nan 8.370 nan 0.000 0.490 194 Q N 0.136 120.071 119.800 0.226 0.000 2.172 194 Q HA -0.029 4.311 4.340 0.000 0.000 0.200 194 Q C 2.274 178.313 176.000 0.065 0.000 0.964 194 Q CA 0.533 56.393 55.803 0.095 0.000 0.855 194 Q CB 0.242 28.959 28.738 -0.034 0.000 0.918 194 Q HN 0.100 nan 8.270 nan 0.000 0.444 195 V N 1.069 121.047 119.914 0.107 0.000 2.270 195 V HA -0.280 3.840 4.120 0.000 0.000 0.245 195 V C 2.316 178.503 176.094 0.154 0.000 1.043 195 V CA 1.836 64.199 62.300 0.105 0.000 1.014 195 V CB -1.039 30.853 31.823 0.114 0.000 0.645 195 V HN 0.419 nan 8.190 nan 0.000 0.447 196 A N 0.150 123.108 122.820 0.231 0.000 1.903 196 A HA -0.268 4.052 4.320 0.000 0.000 0.219 196 A C 2.426 180.223 177.584 0.354 0.000 1.191 196 A CA 2.676 54.906 52.037 0.321 0.000 0.638 196 A CB -0.972 18.272 19.000 0.407 0.000 0.823 196 A HN 0.623 nan 8.150 nan 0.000 0.451 197 A N -0.523 122.413 122.820 0.193 0.000 1.877 197 A HA -0.065 4.255 4.320 0.000 0.000 0.216 197 A C 2.170 179.761 177.584 0.011 0.000 1.186 197 A CA 1.556 53.420 52.037 -0.289 0.000 0.620 197 A CB -0.652 17.885 19.000 -0.772 0.000 0.822 197 A HN 0.494 nan 8.150 nan 0.000 0.443 198 L N -1.134 120.115 121.223 0.044 0.000 2.191 198 L HA -0.198 4.142 4.340 0.000 0.000 0.212 198 L C 2.851 179.796 176.870 0.125 0.000 1.103 198 L CA 1.269 56.157 54.840 0.081 0.000 0.769 198 L CB -0.378 41.723 42.059 0.071 0.000 0.908 198 L HN 0.380 nan 8.230 nan 0.000 0.438 199 R N -1.376 119.218 120.500 0.157 0.000 2.090 199 R HA -0.194 4.146 4.340 0.000 0.000 0.228 199 R C 2.073 178.469 176.300 0.159 0.000 1.110 199 R CA 1.607 57.795 56.100 0.147 0.000 0.973 199 R CB -0.421 29.977 30.300 0.163 0.000 0.869 199 R HN 0.387 nan 8.270 nan 0.000 0.440 200 W N 1.054 122.396 121.300 0.070 0.000 2.374 200 W HA -0.176 4.484 4.660 0.000 0.000 0.288 200 W C 1.560 178.092 176.519 0.022 0.000 1.218 200 W CA 1.060 58.445 57.345 0.067 0.000 1.245 200 W CB 0.011 29.544 29.460 0.121 0.000 1.126 200 W HN -0.228 nan 8.180 nan 0.000 0.545 201 V N 0.729 120.748 119.914 0.174 0.000 2.270 201 V HA -0.315 3.805 4.120 0.000 0.000 0.245 201 V C 2.436 178.477 176.094 -0.087 0.000 1.043 201 V CA 2.003 64.326 62.300 0.039 0.000 1.014 201 V CB -1.090 30.815 31.823 0.137 0.000 0.645 201 V HN 0.146 nan 8.190 nan 0.000 0.447 202 Q N -0.181 119.607 119.800 -0.020 0.000 2.443 202 Q HA -0.175 4.165 4.340 0.000 0.000 0.213 202 Q C 1.160 177.108 176.000 -0.087 0.000 0.982 202 Q CA 1.125 56.916 55.803 -0.021 0.000 0.894 202 Q CB -0.192 28.557 28.738 0.018 0.000 0.947 202 Q HN 0.699 nan 8.270 nan 0.000 0.480 203 D N -1.276 119.013 120.400 -0.186 0.000 2.469 203 D HA 0.106 4.746 4.640 0.000 0.000 0.213 203 D C 0.760 176.843 176.300 -0.362 0.000 1.135 203 D CA 0.018 53.878 54.000 -0.233 0.000 0.834 203 D CB 0.558 41.231 40.800 -0.212 0.000 1.009 203 D HN 0.167 nan 8.370 nan 0.000 0.507 204 N N 0.144 118.534 118.700 -0.517 0.000 2.113 204 N HA 0.009 4.749 4.740 0.000 0.000 0.236 204 N C 1.557 176.895 175.510 -0.287 0.000 1.263 204 N CA -0.171 52.542 53.050 -0.560 0.000 0.831 204 N CB 1.057 38.798 38.487 -1.243 0.000 1.259 204 N HN -0.037 nan 8.380 nan 0.000 0.469 205 I N 2.735 123.134 120.570 -0.284 0.000 2.381 205 I HA -0.215 3.955 4.170 0.000 0.000 0.255 205 I C 2.096 178.264 176.117 0.084 0.000 1.140 205 I CA 0.895 62.162 61.300 -0.055 0.000 1.404 205 I CB -0.226 37.761 38.000 -0.022 0.000 1.075 205 I HN 0.132 nan 8.210 nan 0.000 0.433 206 A N -0.684 122.146 122.820 0.016 0.000 1.865 206 A HA -0.237 4.083 4.320 0.000 0.000 0.217 206 A C 2.345 179.957 177.584 0.047 0.000 1.191 206 A CA 2.231 54.283 52.037 0.024 0.000 0.623 206 A CB -1.223 17.765 19.000 -0.020 0.000 0.826 206 A HN 0.476 nan 8.150 nan 0.000 0.444 207 S N -1.104 114.614 115.700 0.029 0.000 2.584 207 S HA 0.002 4.472 4.470 0.000 0.000 0.240 207 S C 0.218 174.717 174.600 -0.169 0.000 0.975 207 S CA 0.672 58.827 58.200 -0.074 0.000 0.949 207 S CB -0.447 62.663 63.200 -0.150 0.000 0.761 207 S HN 0.488 nan 8.310 nan 0.000 0.536 208 F N 0.452 120.374 119.950 -0.047 0.000 2.850 208 F HA 0.409 4.936 4.527 -0.000 0.000 0.329 208 F C 1.507 177.328 175.800 0.036 0.000 1.182 208 F CA -0.374 57.612 58.000 -0.022 0.000 1.270 208 F CB 0.242 39.198 39.000 -0.073 0.000 0.979 208 F HN 0.182 nan 8.300 nan 0.000 0.506 209 G N 0.106 109.000 108.800 0.158 0.000 2.212 209 G HA2 -0.256 3.704 3.960 0.000 0.000 0.266 209 G HA3 -0.256 3.704 3.960 0.000 0.000 0.266 209 G C 0.830 175.798 174.900 0.113 0.000 0.978 209 G CA -0.039 45.135 45.100 0.125 0.000 0.632 209 G HN 0.781 nan 8.290 nan 0.000 0.537 210 G N -0.359 108.519 108.800 0.130 0.000 2.507 210 G HA2 0.457 4.417 3.960 0.000 0.000 0.271 210 G HA3 0.457 4.417 3.960 0.000 0.000 0.271 210 G C -0.229 174.707 174.900 0.059 0.000 1.189 210 G CA 0.250 45.409 45.100 0.098 0.000 0.859 210 G HN 0.652 nan 8.290 nan 0.000 0.542 211 N N 0.919 119.647 118.700 0.046 0.000 2.558 211 N HA 0.349 5.089 4.740 0.000 0.000 0.242 211 N C -1.142 174.386 175.510 0.030 0.000 0.979 211 N CA -2.213 50.849 53.050 0.020 0.000 0.931 211 N CB 2.133 40.618 38.487 -0.004 0.000 1.122 211 N HN 0.097 nan 8.380 nan 0.000 0.508 212 P HA -0.030 nan 4.420 nan 0.000 0.226 212 P C 0.831 178.199 177.300 0.113 0.000 1.146 212 P CA 0.787 63.921 63.100 0.056 0.000 0.773 212 P CB 0.184 31.893 31.700 0.016 0.000 0.772 213 G N -1.099 107.714 108.800 0.021 0.000 3.042 213 G HA2 0.016 3.976 3.960 0.000 0.000 0.212 213 G HA3 0.016 3.976 3.960 0.000 0.000 0.212 213 G C 0.495 175.090 174.900 -0.508 0.000 1.166 213 G CA 0.132 45.170 45.100 -0.104 0.000 0.767 213 G HN 0.336 nan 8.290 nan 0.000 0.546 214 S N 0.231 115.815 115.700 -0.193 0.000 2.293 214 S HA 0.493 4.963 4.470 0.000 0.000 0.154 214 S C -0.791 173.887 174.600 0.129 0.000 1.602 214 S CA -0.426 57.673 58.200 -0.168 0.000 1.260 214 S CB 0.318 63.430 63.200 -0.147 0.000 1.270 214 S HN -0.023 nan 8.310 nan 0.000 0.416 215 V N 2.855 123.027 119.914 0.429 0.000 2.547 215 V HA 0.648 4.768 4.120 0.000 0.000 0.299 215 V C 0.085 176.321 176.094 0.237 0.000 1.040 215 V CA -0.565 61.896 62.300 0.267 0.000 0.913 215 V CB 1.987 33.951 31.823 0.235 0.000 0.992 215 V HN 0.647 nan 8.190 nan 0.000 0.449 216 T N 5.372 120.032 114.554 0.176 0.000 2.847 216 T HA 0.574 4.924 4.350 0.000 0.000 0.291 216 T C -0.264 174.577 174.700 0.235 0.000 0.998 216 T CA -0.213 61.977 62.100 0.150 0.000 0.967 216 T CB 0.811 69.694 68.868 0.024 0.000 0.954 216 T HN 0.611 nan 8.240 nan 0.000 0.441 217 I N 1.457 122.138 120.570 0.184 0.000 2.440 217 I HA 0.884 5.054 4.170 0.000 0.000 0.294 217 I C -0.757 175.581 176.117 0.368 0.000 0.995 217 I CA -0.900 60.506 61.300 0.177 0.000 1.306 217 I CB 0.732 38.592 38.000 -0.232 0.000 1.407 217 I HN 0.533 nan 8.210 nan 0.000 0.501 218 F N 2.411 122.359 119.950 -0.003 0.000 2.665 218 F HA 0.952 5.479 4.527 0.000 0.000 0.308 218 F C -0.505 175.150 175.800 -0.241 0.000 1.112 218 F CA -1.071 56.954 58.000 0.041 0.000 0.972 218 F CB 1.048 40.224 39.000 0.293 0.000 1.295 218 F HN 0.847 nan 8.300 nan 0.000 0.440 219 G N 0.738 109.321 108.800 -0.363 0.000 2.608 219 G HA2 0.536 4.496 3.960 0.000 0.000 0.291 219 G HA3 0.536 4.496 3.960 0.000 0.000 0.291 219 G C -2.390 172.201 174.900 -0.515 0.000 1.425 219 G CA -0.774 43.665 45.100 -1.102 0.000 0.787 219 G HN 0.815 nan 8.290 nan 0.000 0.484 220 E N -0.198 119.713 120.200 -0.481 0.000 2.299 220 E HA 0.626 4.976 4.350 0.000 0.000 0.265 220 E C 0.671 177.282 176.600 0.019 0.000 0.911 220 E CA 0.311 56.677 56.400 -0.057 0.000 0.789 220 E CB 2.308 32.070 29.700 0.102 0.000 1.246 220 E HN 0.913 nan 8.360 nan 0.000 0.427 221 S N 1.659 117.436 115.700 0.127 0.000 3.711 221 S HA -0.399 4.071 4.470 0.000 0.000 0.625 221 S C 1.491 176.202 174.600 0.185 0.000 2.458 221 S CA 2.067 60.465 58.200 0.330 0.000 4.059 221 S CB -1.459 62.037 63.200 0.493 0.000 0.257 221 S HN 0.937 nan 8.310 nan 0.000 0.974 222 A N 0.818 123.738 122.820 0.167 0.000 1.971 222 A HA -0.022 4.298 4.320 0.000 0.000 0.222 222 A C 2.688 180.244 177.584 -0.046 0.000 1.182 222 A CA 2.995 55.064 52.037 0.054 0.000 0.649 222 A CB -1.899 17.141 19.000 0.066 0.000 0.818 222 A HN 1.842 nan 8.150 nan 0.000 0.458 223 G N -0.903 107.844 108.800 -0.088 0.000 2.418 223 G HA2 0.023 3.983 3.960 0.000 0.000 0.217 223 G HA3 0.023 3.983 3.960 0.000 0.000 0.217 223 G C 1.545 176.286 174.900 -0.266 0.000 1.158 223 G CA 1.296 46.226 45.100 -0.284 0.000 0.771 223 G HN 0.759 nan 8.290 nan 0.000 0.545 224 G N 0.616 109.322 108.800 -0.157 0.000 2.459 224 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 224 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 224 G C 1.567 176.429 174.900 -0.063 0.000 1.183 224 G CA 1.227 46.280 45.100 -0.079 0.000 0.776 224 G HN 0.479 nan 8.290 nan 0.000 0.552 225 E N 0.845 121.019 120.200 -0.043 0.000 2.171 225 E HA -0.163 4.187 4.350 0.000 0.000 0.197 225 E C 2.479 178.998 176.600 -0.135 0.000 0.997 225 E CA 1.498 57.861 56.400 -0.062 0.000 0.810 225 E CB -0.307 29.362 29.700 -0.051 0.000 0.738 225 E HN 0.379 nan 8.360 nan 0.000 0.467 226 S N 0.147 115.744 115.700 -0.173 0.000 2.382 226 S HA -0.118 4.352 4.470 0.000 0.000 0.228 226 S C 2.111 176.532 174.600 -0.299 0.000 1.027 226 S CA 1.144 59.182 58.200 -0.270 0.000 0.991 226 S CB -0.188 62.837 63.200 -0.292 0.000 0.823 226 S HN 0.168 nan 8.310 nan 0.000 0.469 227 V N 1.365 121.131 119.914 -0.246 0.000 2.343 227 V HA -0.159 3.961 4.120 0.000 0.000 0.247 227 V C 2.598 178.549 176.094 -0.239 0.000 1.051 227 V CA 1.980 64.126 62.300 -0.256 0.000 1.036 227 V CB -0.832 30.914 31.823 -0.128 0.000 0.654 227 V HN 0.566 nan 8.190 nan 0.000 0.451 228 S N -0.282 115.341 115.700 -0.128 0.000 2.355 228 S HA -0.151 4.319 4.470 0.000 0.000 0.222 228 S C 2.006 176.510 174.600 -0.161 0.000 1.031 228 S CA 1.783 59.926 58.200 -0.095 0.000 0.993 228 S CB -0.184 63.026 63.200 0.017 0.000 0.859 228 S HN 0.342 nan 8.310 nan 0.000 0.453 229 V N 2.515 122.302 119.914 -0.212 0.000 2.332 229 V HA -0.177 3.943 4.120 0.000 0.000 0.248 229 V C 2.448 178.407 176.094 -0.225 0.000 1.055 229 V CA 1.897 64.043 62.300 -0.257 0.000 1.038 229 V CB -0.860 30.698 31.823 -0.441 0.000 0.651 229 V HN 0.471 nan 8.190 nan 0.000 0.450 230 L N -0.424 120.653 121.223 -0.244 0.000 2.017 230 L HA -0.149 4.191 4.340 0.000 0.000 0.208 230 L C 2.528 179.438 176.870 0.068 0.000 1.073 230 L CA 1.206 55.959 54.840 -0.144 0.000 0.745 230 L CB -0.689 41.173 42.059 -0.329 0.000 0.894 230 L HN 0.196 nan 8.230 nan 0.000 0.432 231 V N 0.276 120.209 119.914 0.032 0.000 2.392 231 V HA -0.263 3.857 4.120 0.000 0.000 0.249 231 V C 2.095 178.243 176.094 0.090 0.000 1.059 231 V CA 1.516 63.927 62.300 0.185 0.000 1.051 231 V CB -0.343 31.398 31.823 -0.137 0.000 0.658 231 V HN 0.390 nan 8.190 nan 0.000 0.455 232 L N -0.513 120.650 121.223 -0.100 0.000 2.591 232 L HA 0.161 4.501 4.340 0.000 0.000 0.228 232 L C 0.976 177.666 176.870 -0.300 0.000 1.133 232 L CA 0.146 54.829 54.840 -0.262 0.000 0.880 232 L CB -0.036 41.914 42.059 -0.181 0.000 1.033 232 L HN 0.233 nan 8.230 nan 0.000 0.450 233 S N -0.594 115.009 115.700 -0.163 0.000 2.509 233 S HA 0.406 4.876 4.470 0.000 0.000 0.297 233 S C -1.852 172.734 174.600 -0.025 0.000 1.118 233 S CA -1.427 56.708 58.200 -0.107 0.000 1.074 233 S CB 1.765 64.931 63.200 -0.056 0.000 1.038 233 S HN -0.170 nan 8.310 nan 0.000 0.498 234 P HA 0.029 nan 4.420 nan 0.000 0.214 234 P C 1.506 178.864 177.300 0.096 0.000 1.162 234 P CA 0.867 64.015 63.100 0.080 0.000 0.871 234 P CB -0.019 31.703 31.700 0.037 0.000 0.783 235 L N -0.603 120.658 121.223 0.063 0.000 2.089 235 L HA -0.243 4.097 4.340 0.000 0.000 0.213 235 L C 2.322 179.246 176.870 0.090 0.000 1.079 235 L CA 1.847 56.729 54.840 0.069 0.000 0.758 235 L CB -1.457 40.639 42.059 0.062 0.000 0.891 235 L HN -0.028 nan 8.230 nan 0.000 0.433 236 A N -0.569 122.323 122.820 0.121 0.000 2.172 236 A HA -0.080 4.240 4.320 0.000 0.000 0.216 236 A C 1.219 178.869 177.584 0.110 0.000 1.154 236 A CA 0.460 52.621 52.037 0.207 0.000 0.701 236 A CB -0.376 18.823 19.000 0.332 0.000 0.789 236 A HN 0.280 nan 8.150 nan 0.000 0.465 237 K N 0.866 121.292 120.400 0.043 0.000 2.457 237 K HA -0.099 4.221 4.320 0.000 0.000 0.269 237 K C 0.587 177.073 176.600 -0.190 0.000 0.969 237 K CA 0.623 56.849 56.287 -0.101 0.000 0.921 237 K CB 0.109 32.628 32.500 0.032 0.000 0.940 237 K HN 0.690 nan 8.250 nan 0.000 0.517 238 N N 0.843 119.352 118.700 -0.318 0.000 2.628 238 N HA -0.276 4.464 4.740 0.000 0.000 0.247 238 N C 0.266 175.622 175.510 -0.257 0.000 1.157 238 N CA 1.136 54.024 53.050 -0.270 0.000 0.729 238 N CB -1.216 37.230 38.487 -0.068 0.000 1.083 238 N HN 0.492 nan 8.380 nan 0.000 0.554 239 L N -1.675 119.383 121.223 -0.276 0.000 2.408 239 L HA 0.254 4.594 4.340 0.000 0.000 0.215 239 L C 0.767 177.612 176.870 -0.042 0.000 1.081 239 L CA 0.555 55.368 54.840 -0.046 0.000 0.840 239 L CB -0.035 42.133 42.059 0.182 0.000 1.002 239 L HN 0.220 nan 8.230 nan 0.000 0.468 240 F N -4.048 115.661 119.950 -0.402 0.000 2.675 240 F HA 0.480 5.007 4.527 -0.000 0.000 0.324 240 F C 0.687 176.058 175.800 -0.715 0.000 1.106 240 F CA -1.030 56.706 58.000 -0.440 0.000 0.970 240 F CB 0.706 39.598 39.000 -0.180 0.000 1.385 240 F HN -0.121 nan 8.300 nan 0.000 0.489 241 H N -0.826 118.250 119.070 0.010 0.000 3.398 241 H HA 0.440 4.996 4.556 0.000 0.000 0.260 241 H C -0.544 174.741 175.328 -0.072 0.000 1.189 241 H CA -0.154 55.820 56.048 -0.124 0.000 1.145 241 H CB 0.909 30.608 29.762 -0.105 0.000 1.599 241 H HN 0.498 nan 8.280 nan 0.000 0.615 242 R N 0.442 121.033 120.500 0.151 0.000 2.629 242 R HA 0.692 5.032 4.340 0.000 0.000 0.266 242 R C -1.469 174.981 176.300 0.250 0.000 1.051 242 R CA -0.661 55.479 56.100 0.067 0.000 0.895 242 R CB 2.505 32.641 30.300 -0.274 0.000 1.246 242 R HN 0.107 nan 8.270 nan 0.000 0.459 243 A N 2.577 125.613 122.820 0.360 0.000 2.449 243 A HA 0.790 5.110 4.320 0.000 0.000 0.302 243 A C -1.047 176.795 177.584 0.430 0.000 1.048 243 A CA -0.687 51.533 52.037 0.306 0.000 0.708 243 A CB 1.213 20.233 19.000 0.034 0.000 1.274 243 A HN 0.624 nan 8.150 nan 0.000 0.410 244 I N 1.786 122.529 120.570 0.290 0.000 2.468 244 I HA 0.256 4.426 4.170 0.000 0.000 0.284 244 I C -0.275 175.980 176.117 0.231 0.000 1.038 244 I CA -0.211 61.180 61.300 0.151 0.000 1.083 244 I CB 2.164 40.183 38.000 0.031 0.000 1.223 244 I HN 0.484 nan 8.210 nan 0.000 0.443 245 S N 5.460 121.256 115.700 0.160 0.000 2.474 245 S HA 0.287 4.757 4.470 0.000 0.000 0.320 245 S C -0.230 174.412 174.600 0.071 0.000 1.067 245 S CA -0.647 57.622 58.200 0.115 0.000 1.127 245 S CB 0.348 63.620 63.200 0.119 0.000 0.971 245 S HN 0.475 nan 8.310 nan 0.000 0.472 246 E N 1.791 122.093 120.200 0.170 0.000 2.105 246 E HA 0.262 4.612 4.350 0.000 0.000 0.285 246 E C 0.008 176.660 176.600 0.087 0.000 1.055 246 E CA -0.461 56.065 56.400 0.210 0.000 0.843 246 E CB 0.595 30.522 29.700 0.379 0.000 1.067 246 E HN 0.623 nan 8.360 nan 0.000 0.398 247 S N 1.601 117.323 115.700 0.037 0.000 3.587 247 S HA -0.178 4.292 4.470 0.000 0.000 0.337 247 S C 0.154 174.934 174.600 0.299 0.000 1.119 247 S CA 0.567 58.795 58.200 0.046 0.000 0.976 247 S CB -1.234 61.858 63.200 -0.180 0.000 0.922 247 S HN 0.849 nan 8.310 nan 0.000 0.503 248 G N -0.505 108.422 108.800 0.210 0.000 2.750 248 G HA2 0.605 4.565 3.960 0.000 0.000 0.298 248 G HA3 0.605 4.565 3.960 0.000 0.000 0.298 248 G C -0.940 174.004 174.900 0.073 0.000 1.412 248 G CA 0.059 45.280 45.100 0.201 0.000 1.078 248 G HN 1.339 nan 8.290 nan 0.000 0.573 249 V N -0.667 119.263 119.914 0.025 0.000 3.087 249 V HA 0.839 4.959 4.120 0.000 0.000 0.306 249 V C 1.141 177.203 176.094 -0.053 0.000 1.187 249 V CA -0.131 62.166 62.300 -0.006 0.000 0.999 249 V CB 1.194 33.006 31.823 -0.018 0.000 1.049 249 V HN 1.848 nan 8.190 nan 0.000 0.431 250 A N 1.491 124.279 122.820 -0.053 0.000 2.084 250 A HA -0.017 4.303 4.320 0.000 0.000 0.221 250 A C 1.480 179.003 177.584 -0.101 0.000 1.161 250 A CA 1.992 53.979 52.037 -0.084 0.000 0.653 250 A CB -0.662 18.287 19.000 -0.084 0.000 0.802 250 A HN 0.926 nan 8.150 nan 0.000 0.457 251 L N 0.194 121.355 121.223 -0.104 0.000 2.688 251 L HA 0.062 4.402 4.340 0.000 0.000 0.234 251 L C 0.054 176.808 176.870 -0.193 0.000 1.192 251 L CA -0.115 54.640 54.840 -0.140 0.000 0.984 251 L CB -0.119 41.862 42.059 -0.130 0.000 1.232 251 L HN 0.092 nan 8.230 nan 0.000 0.465 252 T N -0.457 113.984 114.554 -0.188 0.000 3.579 252 T HA 0.102 4.452 4.350 0.000 0.000 0.328 252 T C 1.397 175.955 174.700 -0.236 0.000 1.481 252 T CA -0.068 61.880 62.100 -0.253 0.000 1.144 252 T CB 0.582 69.308 68.868 -0.237 0.000 1.205 252 T HN 0.245 nan 8.240 nan 0.000 0.812 253 S N 2.361 117.910 115.700 -0.253 0.000 2.264 253 S HA -0.259 4.211 4.470 0.000 0.000 0.361 253 S C 2.286 176.778 174.600 -0.180 0.000 1.089 253 S CA 1.983 60.050 58.200 -0.221 0.000 1.906 253 S CB -1.071 61.975 63.200 -0.258 0.000 1.538 253 S HN 0.622 nan 8.310 nan 0.000 0.491 254 V N 2.486 122.288 119.914 -0.186 0.000 2.251 254 V HA -0.295 3.825 4.120 0.000 0.000 0.259 254 V C 1.935 177.956 176.094 -0.122 0.000 1.078 254 V CA 2.614 64.832 62.300 -0.136 0.000 1.072 254 V CB -0.652 31.094 31.823 -0.128 0.000 0.681 254 V HN 0.576 nan 8.190 nan 0.000 0.454 255 L N -0.573 120.568 121.223 -0.135 0.000 2.456 255 L HA 0.014 4.354 4.340 0.000 0.000 0.224 255 L C 0.626 177.415 176.870 -0.135 0.000 1.148 255 L CA 0.328 55.083 54.840 -0.141 0.000 0.825 255 L CB -0.314 41.669 42.059 -0.126 0.000 0.937 255 L HN 0.248 nan 8.230 nan 0.000 0.450 256 V N 0.243 120.086 119.914 -0.119 0.000 2.495 256 V HA 0.317 4.437 4.120 0.000 0.000 0.298 256 V C 0.020 176.061 176.094 -0.088 0.000 1.031 256 V CA -0.849 61.393 62.300 -0.097 0.000 0.871 256 V CB 2.162 33.928 31.823 -0.096 0.000 0.988 256 V HN -0.027 nan 8.190 nan 0.000 0.432 257 K N 4.431 124.786 120.400 -0.074 0.000 2.316 257 K HA 0.530 4.850 4.320 0.000 0.000 0.267 257 K C -0.580 175.987 176.600 -0.056 0.000 1.025 257 K CA -0.432 55.818 56.287 -0.061 0.000 0.896 257 K CB 1.725 34.190 32.500 -0.059 0.000 1.124 257 K HN 0.627 nan 8.250 nan 0.000 0.451 258 K N 0.346 120.718 120.400 -0.048 0.000 2.211 258 K HA 0.685 5.005 4.320 0.000 0.000 0.237 258 K C 0.435 177.018 176.600 -0.028 0.000 1.002 258 K CA -0.522 55.741 56.287 -0.041 0.000 0.885 258 K CB 1.319 33.795 32.500 -0.041 0.000 1.136 258 K HN 0.713 nan 8.250 nan 0.000 0.448 259 G N 0.942 109.728 108.800 -0.024 0.000 2.499 259 G HA2 -0.230 3.730 3.960 0.000 0.000 0.232 259 G HA3 -0.230 3.730 3.960 0.000 0.000 0.232 259 G C -1.338 173.548 174.900 -0.024 0.000 1.251 259 G CA -0.310 44.780 45.100 -0.015 0.000 0.917 259 G HN 0.637 nan 8.290 nan 0.000 0.580 260 D N 0.449 120.838 120.400 -0.020 0.000 2.317 260 D HA 0.515 5.155 4.640 0.000 0.000 0.234 260 D C 1.674 177.951 176.300 -0.038 0.000 1.112 260 D CA 0.381 54.364 54.000 -0.028 0.000 0.840 260 D CB 1.438 42.227 40.800 -0.019 0.000 1.078 260 D HN 0.998 nan 8.370 nan 0.000 0.486 261 V N 2.178 122.056 119.914 -0.060 0.000 3.052 261 V HA 0.023 4.143 4.120 0.000 0.000 0.254 261 V C 2.217 178.254 176.094 -0.096 0.000 1.100 261 V CA 0.449 62.699 62.300 -0.083 0.000 1.112 261 V CB -0.522 31.229 31.823 -0.119 0.000 0.738 261 V HN 0.311 nan 8.190 nan 0.000 0.469 262 K N 1.994 122.345 120.400 -0.082 0.000 2.097 262 K HA -0.169 4.151 4.320 0.000 0.000 0.214 262 K C -0.093 176.475 176.600 -0.053 0.000 1.052 262 K CA 2.741 58.985 56.287 -0.072 0.000 0.932 262 K CB -1.736 30.741 32.500 -0.039 0.000 0.716 262 K HN 0.445 nan 8.250 nan 0.000 0.455 263 P HA -0.166 nan 4.420 nan 0.000 0.215 263 P C 1.377 178.670 177.300 -0.011 0.000 1.153 263 P CA 1.053 64.143 63.100 -0.017 0.000 0.853 263 P CB 0.017 31.710 31.700 -0.011 0.000 0.788 264 L N -1.068 120.142 121.223 -0.021 0.000 2.046 264 L HA -0.169 4.171 4.340 0.000 0.000 0.208 264 L C 2.176 179.052 176.870 0.011 0.000 1.077 264 L CA 1.759 56.602 54.840 0.004 0.000 0.747 264 L CB -0.791 41.268 42.059 -0.000 0.000 0.896 264 L HN -0.033 nan 8.230 nan 0.000 0.432 265 A N -0.334 122.444 122.820 -0.069 0.000 1.898 265 A HA -0.232 4.088 4.320 0.000 0.000 0.216 265 A C 1.966 179.601 177.584 0.084 0.000 1.181 265 A CA 1.568 53.569 52.037 -0.059 0.000 0.620 265 A CB -0.478 18.326 19.000 -0.327 0.000 0.819 265 A HN 0.536 nan 8.150 nan 0.000 0.442 266 E N -0.810 119.409 120.200 0.032 0.000 2.265 266 E HA -0.230 4.120 4.350 0.000 0.000 0.196 266 E C 2.090 178.718 176.600 0.047 0.000 0.996 266 E CA 1.151 57.576 56.400 0.042 0.000 0.832 266 E CB -0.081 29.630 29.700 0.018 0.000 0.756 266 E HN 0.803 nan 8.360 nan 0.000 0.491 267 Q N 0.309 120.139 119.800 0.049 0.000 2.250 267 Q HA -0.041 4.299 4.340 0.000 0.000 0.200 267 Q C 2.097 178.135 176.000 0.063 0.000 0.941 267 Q CA 0.429 56.257 55.803 0.041 0.000 0.872 267 Q CB 0.273 29.029 28.738 0.029 0.000 0.965 267 Q HN 0.282 nan 8.270 nan 0.000 0.480 268 I N 0.425 121.067 120.570 0.120 0.000 2.233 268 I HA -0.172 3.998 4.170 0.000 0.000 0.243 268 I C 2.350 178.515 176.117 0.079 0.000 1.093 268 I CA 0.940 62.323 61.300 0.137 0.000 1.380 268 I CB -0.382 37.774 38.000 0.260 0.000 1.067 268 I HN 0.163 nan 8.210 nan 0.000 0.413 269 A N 0.739 123.621 122.820 0.102 0.000 2.019 269 A HA -0.111 4.209 4.320 0.000 0.000 0.219 269 A C 2.314 179.911 177.584 0.022 0.000 1.164 269 A CA 1.314 53.380 52.037 0.047 0.000 0.644 269 A CB -0.650 18.401 19.000 0.085 0.000 0.805 269 A HN 0.407 nan 8.150 nan 0.000 0.449 270 I N -1.126 119.461 120.570 0.028 0.000 2.584 270 I HA -0.121 4.049 4.170 0.000 0.000 0.255 270 I C 2.192 178.311 176.117 0.002 0.000 1.145 270 I CA 1.343 62.650 61.300 0.012 0.000 1.462 270 I CB -0.147 37.860 38.000 0.011 0.000 1.102 270 I HN 0.234 nan 8.210 nan 0.000 0.433 271 T N 0.642 115.198 114.554 0.004 0.000 2.942 271 T HA 0.016 4.366 4.350 0.000 0.000 0.265 271 T C 1.744 176.439 174.700 -0.009 0.000 1.062 271 T CA 1.142 63.238 62.100 -0.006 0.000 1.139 271 T CB -0.027 68.836 68.868 -0.008 0.000 0.883 271 T HN 0.386 nan 8.240 nan 0.000 0.468 272 A N 0.256 123.069 122.820 -0.011 0.000 2.238 272 A HA 0.519 4.839 4.320 0.000 0.000 0.208 272 A C 1.984 179.554 177.584 -0.023 0.000 1.177 272 A CA 0.896 52.919 52.037 -0.024 0.000 0.804 272 A CB -0.678 18.292 19.000 -0.049 0.000 0.823 272 A HN 0.643 nan 8.150 nan 0.000 0.482 273 G N -1.884 106.907 108.800 -0.015 0.000 2.176 273 G HA2 -0.283 3.677 3.960 0.000 0.000 0.253 273 G HA3 -0.283 3.677 3.960 0.000 0.000 0.253 273 G C 0.441 175.332 174.900 -0.015 0.000 0.979 273 G CA 0.139 45.231 45.100 -0.014 0.000 0.641 273 G HN 0.579 nan 8.290 nan 0.000 0.530 274 c N 0.623 119.211 118.600 -0.019 0.000 2.705 274 c HA 0.569 5.139 4.570 0.000 0.000 0.382 274 c C 1.239 175.328 174.090 -0.002 0.000 1.322 274 c CA 0.101 56.419 56.329 -0.019 0.000 2.290 274 c CB 0.901 43.393 42.510 -0.030 0.000 2.650 274 c HN 0.572 nan 8.230 nan 0.000 0.695 275 K N 0.103 120.506 120.400 0.004 0.000 2.087 275 K HA 0.398 4.718 4.320 0.000 0.000 0.255 275 K C 0.363 176.976 176.600 0.022 0.000 0.988 275 K CA -0.006 56.289 56.287 0.012 0.000 0.915 275 K CB 0.820 33.329 32.500 0.014 0.000 1.043 275 K HN 0.821 nan 8.250 nan 0.000 0.457 276 T N -1.557 113.010 114.554 0.022 0.000 3.483 276 T HA 0.130 4.480 4.350 0.000 0.000 0.258 276 T C 0.581 175.294 174.700 0.022 0.000 1.013 276 T CA -0.560 61.556 62.100 0.027 0.000 1.078 276 T CB 0.419 69.302 68.868 0.026 0.000 1.111 276 T HN 0.421 nan 8.240 nan 0.000 0.538 277 T N 2.592 117.158 114.554 0.019 0.000 2.942 277 T HA 0.136 4.486 4.350 0.000 0.000 0.265 277 T C 1.021 175.728 174.700 0.013 0.000 1.062 277 T CA 1.404 63.513 62.100 0.014 0.000 1.139 277 T CB 0.007 68.883 68.868 0.012 0.000 0.883 277 T HN 0.850 nan 8.240 nan 0.000 0.468 278 T N -2.454 112.106 114.554 0.011 0.000 2.821 278 T HA 0.448 4.798 4.350 0.000 0.000 0.306 278 T C 0.806 175.506 174.700 -0.000 0.000 1.313 278 T CA -0.658 61.443 62.100 0.003 0.000 1.012 278 T CB 1.609 70.465 68.868 -0.021 0.000 1.298 278 T HN -0.236 nan 8.240 nan 0.000 0.502 279 S N 0.548 116.253 115.700 0.008 0.000 2.355 279 S HA -0.006 4.464 4.470 0.000 0.000 0.222 279 S C 2.534 177.097 174.600 -0.062 0.000 1.031 279 S CA 1.298 59.520 58.200 0.036 0.000 0.993 279 S CB -0.975 62.315 63.200 0.150 0.000 0.859 279 S HN 1.002 nan 8.310 nan 0.000 0.453 280 A N 0.777 123.361 122.820 -0.393 0.000 2.093 280 A HA -0.094 4.226 4.320 0.000 0.000 0.222 280 A C 2.199 179.716 177.584 -0.112 0.000 1.162 280 A CA 1.491 53.232 52.037 -0.494 0.000 0.655 280 A CB -0.671 17.888 19.000 -0.735 0.000 0.805 280 A HN 0.371 nan 8.150 nan 0.000 0.461 281 V N -0.853 119.034 119.914 -0.045 0.000 2.500 281 V HA -0.175 3.945 4.120 0.000 0.000 0.243 281 V C 2.524 178.664 176.094 0.077 0.000 1.039 281 V CA 1.701 64.031 62.300 0.051 0.000 1.053 281 V CB -0.493 31.350 31.823 0.033 0.000 0.695 281 V HN 0.567 nan 8.190 nan 0.000 0.463 282 M N -0.421 119.221 119.600 0.071 0.000 2.108 282 M HA -0.169 4.311 4.480 0.000 0.000 0.261 282 M C 2.184 178.528 176.300 0.074 0.000 1.066 282 M CA 1.715 57.069 55.300 0.090 0.000 1.107 282 M CB -0.473 32.226 32.600 0.165 0.000 1.356 282 M HN 0.256 nan 8.290 nan 0.000 0.406 283 V N -0.450 119.546 119.914 0.137 0.000 2.237 283 V HA -0.314 3.806 4.120 0.000 0.000 0.245 283 V C 2.314 178.503 176.094 0.157 0.000 1.046 283 V CA 2.516 64.900 62.300 0.141 0.000 1.007 283 V CB -1.251 30.715 31.823 0.238 0.000 0.638 283 V HN 0.501 nan 8.190 nan 0.000 0.445 284 H N -0.305 118.804 119.070 0.064 0.000 2.357 284 H HA -0.264 4.292 4.556 -0.000 0.000 0.296 284 H C 2.333 177.678 175.328 0.029 0.000 1.108 284 H CA 2.369 58.443 56.048 0.043 0.000 1.273 284 H CB -0.860 28.908 29.762 0.011 0.000 1.367 284 H HN 0.464 nan 8.280 nan 0.000 0.498 285 c N -0.054 118.426 118.600 -0.199 0.000 2.432 285 c HA -0.045 4.525 4.570 0.000 0.000 0.277 285 c C 2.834 176.821 174.090 -0.173 0.000 1.249 285 c CA 0.974 57.148 56.329 -0.258 0.000 1.725 285 c CB -1.453 40.997 42.510 -0.100 0.000 2.028 285 c HN 0.674 nan 8.230 nan 0.000 0.477 286 L N 0.272 121.435 121.223 -0.101 0.000 2.275 286 L HA -0.033 4.307 4.340 0.000 0.000 0.215 286 L C 2.863 179.732 176.870 -0.002 0.000 1.119 286 L CA 0.959 55.754 54.840 -0.076 0.000 0.790 286 L CB -0.690 41.244 42.059 -0.208 0.000 0.919 286 L HN 0.354 nan 8.230 nan 0.000 0.443 287 R N -0.203 120.304 120.500 0.013 0.000 2.189 287 R HA -0.098 4.242 4.340 0.000 0.000 0.223 287 R C 1.976 178.210 176.300 -0.111 0.000 1.092 287 R CA 0.678 56.734 56.100 -0.074 0.000 0.989 287 R CB -0.014 30.273 30.300 -0.022 0.000 0.876 287 R HN 0.433 nan 8.270 nan 0.000 0.457 288 Q N 0.550 120.265 119.800 -0.141 0.000 2.331 288 Q HA 0.054 4.394 4.340 0.000 0.000 0.203 288 Q C 0.283 176.235 176.000 -0.080 0.000 0.944 288 Q CA 0.638 56.367 55.803 -0.124 0.000 0.892 288 Q CB 0.170 28.802 28.738 -0.177 0.000 0.983 288 Q HN 0.025 nan 8.270 nan 0.000 0.482 289 K N 2.223 122.579 120.400 -0.074 0.000 2.414 289 K HA 0.040 4.360 4.320 0.000 0.000 0.272 289 K C 0.693 177.287 176.600 -0.010 0.000 0.993 289 K CA 0.144 56.406 56.287 -0.041 0.000 0.964 289 K CB 0.173 32.646 32.500 -0.045 0.000 0.925 289 K HN 0.246 nan 8.250 nan 0.000 0.487 290 T N -2.083 112.478 114.554 0.011 0.000 2.748 290 T HA 0.000 4.350 4.350 0.000 0.000 0.304 290 T C 1.312 176.068 174.700 0.093 0.000 1.041 290 T CA -0.340 61.779 62.100 0.032 0.000 1.033 290 T CB 0.932 69.816 68.868 0.026 0.000 0.995 290 T HN 0.621 nan 8.240 nan 0.000 0.536 291 E N 0.130 120.395 120.200 0.108 0.000 2.051 291 E HA -0.205 4.145 4.350 0.000 0.000 0.192 291 E C 1.903 178.647 176.600 0.240 0.000 0.991 291 E CA 1.364 57.891 56.400 0.212 0.000 0.799 291 E CB -0.153 29.579 29.700 0.054 0.000 0.748 291 E HN 0.821 nan 8.360 nan 0.000 0.449 292 E N 0.592 120.864 120.200 0.121 0.000 2.265 292 E HA -0.161 4.189 4.350 0.000 0.000 0.196 292 E C 1.746 178.419 176.600 0.121 0.000 0.996 292 E CA 0.960 57.427 56.400 0.111 0.000 0.832 292 E CB 0.076 29.808 29.700 0.054 0.000 0.756 292 E HN 0.314 nan 8.360 nan 0.000 0.491 293 E N -0.426 119.834 120.200 0.101 0.000 2.047 293 E HA -0.124 4.226 4.350 0.000 0.000 0.191 293 E C 1.876 178.520 176.600 0.074 0.000 0.987 293 E CA 0.855 57.295 56.400 0.067 0.000 0.799 293 E CB -0.007 29.713 29.700 0.034 0.000 0.752 293 E HN 0.266 nan 8.360 nan 0.000 0.449 294 L N 0.544 121.824 121.223 0.096 0.000 2.131 294 L HA -0.172 4.168 4.340 0.000 0.000 0.210 294 L C 2.489 179.404 176.870 0.074 0.000 1.092 294 L CA 0.340 55.173 54.840 -0.012 0.000 0.759 294 L CB -0.282 41.652 42.059 -0.208 0.000 0.903 294 L HN 0.264 nan 8.230 nan 0.000 0.435 295 L N 0.248 121.675 121.223 0.341 0.000 2.093 295 L HA -0.196 4.144 4.340 0.000 0.000 0.208 295 L C 2.482 179.474 176.870 0.204 0.000 1.085 295 L CA 1.739 56.822 54.840 0.407 0.000 0.755 295 L CB -0.659 41.626 42.059 0.376 0.000 0.904 295 L HN 0.302 nan 8.230 nan 0.000 0.435 296 E N -0.919 119.364 120.200 0.137 0.000 2.049 296 E HA -0.271 4.079 4.350 0.000 0.000 0.198 296 E C 1.810 178.450 176.600 0.067 0.000 1.007 296 E CA 2.251 58.700 56.400 0.082 0.000 0.809 296 E CB -0.302 29.431 29.700 0.056 0.000 0.749 296 E HN 0.543 nan 8.360 nan 0.000 0.450 297 T N 0.349 114.936 114.554 0.056 0.000 2.737 297 T HA -0.171 4.179 4.350 0.000 0.000 0.269 297 T C 1.909 176.654 174.700 0.075 0.000 1.040 297 T CA 1.868 63.990 62.100 0.037 0.000 1.142 297 T CB -0.585 68.290 68.868 0.010 0.000 0.861 297 T HN 0.269 nan 8.240 nan 0.000 0.456 298 T N 2.199 116.844 114.554 0.150 0.000 2.708 298 T HA 0.051 4.401 4.350 0.000 0.000 0.266 298 T C 1.923 176.726 174.700 0.172 0.000 1.037 298 T CA 0.855 63.133 62.100 0.296 0.000 1.146 298 T CB -0.442 68.636 68.868 0.349 0.000 0.865 298 T HN 0.288 nan 8.240 nan 0.000 0.435 299 L N 0.413 121.710 121.223 0.122 0.000 2.265 299 L HA -0.088 4.252 4.340 0.000 0.000 0.215 299 L C 2.543 179.410 176.870 -0.004 0.000 1.117 299 L CA 1.223 56.102 54.840 0.066 0.000 0.782 299 L CB -0.431 41.665 42.059 0.062 0.000 0.914 299 L HN 0.259 nan 8.230 nan 0.000 0.441 300 K N -0.567 119.817 120.400 -0.027 0.000 2.076 300 K HA -0.022 4.298 4.320 0.000 0.000 0.204 300 K C 2.167 178.676 176.600 -0.151 0.000 1.051 300 K CA 0.834 57.081 56.287 -0.066 0.000 0.949 300 K CB 0.016 32.488 32.500 -0.046 0.000 0.726 300 K HN 0.195 nan 8.250 nan 0.000 0.443 301 M N 1.064 120.508 119.600 -0.261 0.000 2.213 301 M HA -0.107 4.373 4.480 0.000 0.000 0.263 301 M C 0.203 176.186 176.300 -0.528 0.000 1.062 301 M CA 1.386 56.370 55.300 -0.528 0.000 1.105 301 M CB -0.714 31.194 32.600 -1.154 0.000 1.385 301 M HN 0.103 nan 8.290 nan 0.000 0.417 302 K N -0.275 119.905 120.400 -0.367 0.000 3.161 302 K HA -0.167 4.153 4.320 0.000 0.000 0.270 302 K C -0.547 175.966 176.600 -0.146 0.000 1.115 302 K CA 0.013 56.191 56.287 -0.182 0.000 0.789 302 K CB -2.683 29.740 32.500 -0.129 0.000 1.256 302 K HN 0.149 nan 8.250 nan 0.000 0.492 303 F N 0.333 120.300 119.950 0.029 0.000 2.586 303 F HA -0.000 4.527 4.527 0.000 0.000 0.335 303 F C 1.917 177.736 175.800 0.032 0.000 1.210 303 F CA 0.482 58.501 58.000 0.033 0.000 1.359 303 F CB 0.131 39.159 39.000 0.048 0.000 1.142 303 F HN 0.191 nan 8.300 nan 0.000 0.606 304 L N 0.769 122.137 121.223 0.242 0.000 4.040 304 L HA -0.297 4.043 4.340 0.000 0.000 0.410 304 L C -0.726 176.205 176.870 0.102 0.000 1.187 304 L CA 0.751 55.678 54.840 0.145 0.000 0.956 304 L CB -1.518 40.615 42.059 0.125 0.000 2.022 304 L HN 0.534 nan 8.230 nan 0.000 0.897 305 S N -0.258 115.493 115.700 0.085 0.000 2.541 305 S HA 0.687 5.157 4.470 0.000 0.000 0.280 305 S C -0.681 173.939 174.600 0.033 0.000 1.112 305 S CA -0.631 57.599 58.200 0.050 0.000 0.925 305 S CB 2.347 65.555 63.200 0.013 0.000 1.067 305 S HN 0.244 nan 8.310 nan 0.000 0.479 306 L N 3.335 124.568 121.223 0.017 0.000 2.334 306 L HA 0.349 4.689 4.340 0.000 0.000 0.286 306 L C -0.272 176.550 176.870 -0.081 0.000 1.108 306 L CA -0.152 54.661 54.840 -0.046 0.000 0.875 306 L CB -0.397 41.560 42.059 -0.169 0.000 1.246 306 L HN 0.652 nan 8.230 nan 0.000 0.439 307 D N 3.575 123.932 120.400 -0.072 0.000 2.363 307 D HA 0.033 4.673 4.640 0.000 0.000 0.263 307 D C 0.771 177.009 176.300 -0.102 0.000 1.258 307 D CA 0.337 54.287 54.000 -0.083 0.000 0.907 307 D CB 0.574 41.325 40.800 -0.083 0.000 1.107 307 D HN 0.611 nan 8.370 nan 0.000 0.495 308 L N 3.323 124.489 121.223 -0.094 0.000 2.628 308 L HA 0.140 4.480 4.340 0.000 0.000 0.229 308 L C 0.685 177.509 176.870 -0.077 0.000 1.137 308 L CA 0.061 54.845 54.840 -0.094 0.000 0.909 308 L CB 0.045 42.053 42.059 -0.085 0.000 1.137 308 L HN 0.460 nan 8.230 nan 0.000 0.470 309 Q N 0.446 120.201 119.800 -0.076 0.000 2.227 309 Q HA 0.432 4.772 4.340 0.000 0.000 0.332 309 Q C 0.118 176.075 176.000 -0.070 0.000 0.878 309 Q CA 0.011 55.776 55.803 -0.063 0.000 1.120 309 Q CB 2.024 30.733 28.738 -0.049 0.000 1.315 309 Q HN 0.297 nan 8.270 nan 0.000 0.414 310 G N -0.354 108.390 108.800 -0.093 0.000 2.782 310 G HA2 0.258 4.218 3.960 0.000 0.000 0.304 310 G HA3 0.258 4.218 3.960 0.000 0.000 0.304 310 G C -1.588 173.229 174.900 -0.138 0.000 1.315 310 G CA -0.426 44.615 45.100 -0.099 0.000 0.791 310 G HN -0.016 nan 8.290 nan 0.000 0.519 311 D N 0.276 120.590 120.400 -0.144 0.000 2.316 311 D HA 0.359 4.999 4.640 0.000 0.000 0.245 311 D C -1.354 174.774 176.300 -0.286 0.000 1.171 311 D CA -1.776 52.105 54.000 -0.199 0.000 0.856 311 D CB 2.095 42.810 40.800 -0.141 0.000 1.090 311 D HN -0.132 nan 8.370 nan 0.000 0.476 312 P HA -0.121 nan 4.420 nan 0.000 0.217 312 P C 1.073 178.091 177.300 -0.471 0.000 1.148 312 P CA 1.133 63.898 63.100 -0.559 0.000 0.828 312 P CB 0.344 31.375 31.700 -1.117 0.000 0.783 313 R N -0.538 119.614 120.500 -0.580 0.000 2.115 313 R HA -0.045 4.295 4.340 0.000 0.000 0.226 313 R C 2.086 178.303 176.300 -0.137 0.000 1.100 313 R CA 1.089 56.905 56.100 -0.472 0.000 0.980 313 R CB -0.329 29.725 30.300 -0.409 0.000 0.875 313 R HN 0.345 nan 8.270 nan 0.000 0.445 314 E N 0.289 120.412 120.200 -0.129 0.000 2.190 314 E HA 0.055 4.405 4.350 0.000 0.000 0.191 314 E C -0.043 176.532 176.600 -0.041 0.000 0.978 314 E CA 0.044 56.407 56.400 -0.063 0.000 0.839 314 E CB 0.343 30.003 29.700 -0.068 0.000 0.787 314 E HN 0.043 nan 8.360 nan 0.000 0.473 315 S N 2.608 118.268 115.700 -0.066 0.000 2.973 315 S HA -0.068 4.402 4.470 0.000 0.000 0.357 315 S C 0.053 174.656 174.600 0.004 0.000 1.159 315 S CA 0.190 58.362 58.200 -0.047 0.000 1.423 315 S CB -0.125 63.031 63.200 -0.074 0.000 1.115 315 S HN 0.150 nan 8.310 nan 0.000 0.563 316 Q N 5.347 125.159 119.800 0.019 0.000 2.322 316 Q HA 0.270 4.610 4.340 0.000 0.000 0.256 316 Q C -1.208 174.860 176.000 0.113 0.000 0.960 316 Q CA -1.842 54.002 55.803 0.069 0.000 0.934 316 Q CB 0.943 29.735 28.738 0.090 0.000 1.200 316 Q HN 0.273 nan 8.270 nan 0.000 0.435 317 P HA -0.019 nan 4.420 nan 0.000 0.216 317 P C -0.667 176.812 177.300 0.298 0.000 1.153 317 P CA 0.776 63.970 63.100 0.157 0.000 0.844 317 P CB 0.255 32.011 31.700 0.093 0.000 0.787 318 L N -4.315 117.038 121.223 0.216 0.000 2.700 318 L HA 0.388 4.728 4.340 0.000 0.000 0.255 318 L C -1.078 175.756 176.870 -0.060 0.000 0.933 318 L CA -1.491 53.398 54.840 0.083 0.000 0.920 318 L CB -0.014 42.029 42.059 -0.026 0.000 1.472 318 L HN -0.336 nan 8.230 nan 0.000 0.426 319 L N 1.714 122.829 121.223 -0.181 0.000 2.499 319 L HA 0.754 5.094 4.340 0.000 0.000 0.273 319 L C 1.060 177.823 176.870 -0.179 0.000 1.195 319 L CA 1.152 55.929 54.840 -0.104 0.000 0.882 319 L CB -0.471 41.556 42.059 -0.053 0.000 1.133 319 L HN 0.947 nan 8.230 nan 0.000 0.483 320 G N 1.258 109.960 108.800 -0.163 0.000 3.251 320 G HA2 0.581 4.541 3.960 0.000 0.000 0.248 320 G HA3 0.581 4.541 3.960 0.000 0.000 0.248 320 G C -0.713 174.090 174.900 -0.161 0.000 1.320 320 G CA -0.635 44.278 45.100 -0.312 0.000 0.982 320 G HN 0.505 nan 8.290 nan 0.000 0.575 321 T N 0.133 114.604 114.554 -0.140 0.000 2.903 321 T HA 0.423 4.773 4.350 0.000 0.000 0.314 321 T C 0.527 175.236 174.700 0.016 0.000 1.078 321 T CA 0.503 62.651 62.100 0.080 0.000 1.114 321 T CB 1.030 69.987 68.868 0.148 0.000 0.987 321 T HN 1.190 nan 8.240 nan 0.000 0.548 322 V N -0.780 119.143 119.914 0.016 0.000 3.156 322 V HA 0.614 4.734 4.120 0.000 0.000 0.310 322 V C -0.904 175.160 176.094 -0.050 0.000 1.234 322 V CA -1.271 61.002 62.300 -0.044 0.000 1.065 322 V CB 1.893 33.665 31.823 -0.085 0.000 1.088 322 V HN 0.625 nan 8.190 nan 0.000 0.451 323 I N 2.877 123.408 120.570 -0.064 0.000 2.318 323 I HA 0.299 4.469 4.170 0.000 0.000 0.285 323 I C 0.912 176.987 176.117 -0.070 0.000 1.127 323 I CA -0.152 61.111 61.300 -0.063 0.000 1.243 323 I CB -0.543 37.422 38.000 -0.058 0.000 1.498 323 I HN 0.925 nan 8.210 nan 0.000 0.535 324 D N 3.120 123.471 120.400 -0.082 0.000 2.178 324 D HA -0.123 4.517 4.640 0.000 0.000 0.202 324 D C 1.490 177.751 176.300 -0.065 0.000 0.974 324 D CA 1.350 55.293 54.000 -0.096 0.000 0.841 324 D CB 0.134 40.855 40.800 -0.133 0.000 0.953 324 D HN 0.641 nan 8.370 nan 0.000 0.478 325 G N -0.677 108.093 108.800 -0.051 0.000 2.144 325 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 325 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 325 G C 0.762 175.648 174.900 -0.023 0.000 0.988 325 G CA 0.484 45.562 45.100 -0.036 0.000 0.659 325 G HN 0.235 nan 8.290 nan 0.000 0.522 326 M N -1.673 117.913 119.600 -0.023 0.000 2.429 326 M HA 0.446 4.926 4.480 0.000 0.000 0.230 326 M C 1.926 178.225 176.300 -0.003 0.000 1.469 326 M CA 0.868 56.166 55.300 -0.002 0.000 1.097 326 M CB -0.651 31.958 32.600 0.014 0.000 1.490 326 M HN 0.258 nan 8.290 nan 0.000 0.556 327 L N 0.142 121.355 121.223 -0.017 0.000 2.357 327 L HA 0.372 4.712 4.340 0.000 0.000 0.211 327 L C -0.204 176.635 176.870 -0.052 0.000 1.075 327 L CA 1.013 55.840 54.840 -0.021 0.000 0.830 327 L CB 0.589 42.641 42.059 -0.012 0.000 0.996 327 L HN 0.068 nan 8.230 nan 0.000 0.467 328 L N -0.051 121.138 121.223 -0.057 0.000 2.439 328 L HA 0.290 4.630 4.340 0.000 0.000 0.270 328 L C 0.135 176.967 176.870 -0.063 0.000 0.972 328 L CA -0.371 54.424 54.840 -0.074 0.000 0.836 328 L CB 2.044 44.056 42.059 -0.079 0.000 1.255 328 L HN -0.026 nan 8.230 nan 0.000 0.404 329 L N 2.213 123.397 121.223 -0.065 0.000 2.509 329 L HA 0.181 4.521 4.340 0.000 0.000 0.222 329 L C 0.543 177.381 176.870 -0.053 0.000 1.123 329 L CA 0.523 55.332 54.840 -0.052 0.000 0.856 329 L CB -0.373 41.658 42.059 -0.046 0.000 0.985 329 L HN 0.625 nan 8.230 nan 0.000 0.456 330 K N -1.177 119.185 120.400 -0.063 0.000 2.607 330 K HA 0.331 4.651 4.320 0.000 0.000 0.287 330 K C -0.566 175.994 176.600 -0.068 0.000 0.996 330 K CA -0.744 55.507 56.287 -0.059 0.000 0.876 330 K CB 0.801 33.270 32.500 -0.053 0.000 1.496 330 K HN -0.125 nan 8.250 nan 0.000 0.415 331 T N -1.289 113.228 114.554 -0.061 0.000 2.937 331 T HA 0.067 4.417 4.350 0.000 0.000 0.316 331 T C -1.854 172.802 174.700 -0.074 0.000 1.079 331 T CA -0.669 61.391 62.100 -0.067 0.000 1.131 331 T CB 0.289 69.120 68.868 -0.061 0.000 1.000 331 T HN 0.335 nan 8.240 nan 0.000 0.549 332 P HA -0.102 nan 4.420 nan 0.000 0.215 332 P C 1.371 178.631 177.300 -0.067 0.000 1.153 332 P CA 1.128 64.180 63.100 -0.081 0.000 0.853 332 P CB 0.005 31.655 31.700 -0.084 0.000 0.788 333 E N -0.091 120.069 120.200 -0.067 0.000 2.147 333 E HA -0.222 4.128 4.350 0.000 0.000 0.199 333 E C 1.799 178.373 176.600 -0.043 0.000 1.005 333 E CA 1.431 57.797 56.400 -0.057 0.000 0.810 333 E CB -0.847 28.815 29.700 -0.064 0.000 0.736 333 E HN 0.463 nan 8.360 nan 0.000 0.460 334 E N -0.345 119.827 120.200 -0.046 0.000 2.318 334 E HA 0.048 4.398 4.350 0.000 0.000 0.193 334 E C 1.884 178.457 176.600 -0.045 0.000 0.998 334 E CA 0.046 56.423 56.400 -0.039 0.000 0.859 334 E CB 0.128 29.806 29.700 -0.038 0.000 0.812 334 E HN 0.212 nan 8.360 nan 0.000 0.492 335 L N 1.032 122.218 121.223 -0.062 0.000 2.049 335 L HA -0.172 4.168 4.340 0.000 0.000 0.203 335 L C 2.457 179.285 176.870 -0.071 0.000 1.074 335 L CA 1.105 55.893 54.840 -0.086 0.000 0.749 335 L CB -0.315 41.670 42.059 -0.122 0.000 0.907 335 L HN 0.158 nan 8.230 nan 0.000 0.439 336 Q N -0.024 119.750 119.800 -0.044 0.000 2.561 336 Q HA -0.099 4.241 4.340 0.000 0.000 0.217 336 Q C 1.783 177.792 176.000 0.016 0.000 0.980 336 Q CA 1.016 56.820 55.803 0.001 0.000 0.927 336 Q CB -0.316 28.438 28.738 0.025 0.000 0.980 336 Q HN 0.433 nan 8.270 nan 0.000 0.525 337 A N 1.574 124.393 122.820 -0.002 0.000 2.072 337 A HA -0.100 4.220 4.320 0.000 0.000 0.216 337 A C 1.135 178.727 177.584 0.013 0.000 1.156 337 A CA 0.269 52.310 52.037 0.006 0.000 0.701 337 A CB -0.022 18.976 19.000 -0.003 0.000 0.816 337 A HN 0.444 nan 8.150 nan 0.000 0.458 338 E N 0.319 120.524 120.200 0.007 0.000 1.932 338 E HA 0.185 4.535 4.350 0.000 0.000 0.275 338 E C 0.351 176.990 176.600 0.066 0.000 1.159 338 E CA -0.395 56.019 56.400 0.023 0.000 0.905 338 E CB 0.328 30.028 29.700 0.001 0.000 1.059 338 E HN 0.241 nan 8.360 nan 0.000 0.400 339 R N 2.458 122.996 120.500 0.062 0.000 2.148 339 R HA -0.018 4.322 4.340 0.000 0.000 0.223 339 R C 0.224 176.582 176.300 0.097 0.000 1.088 339 R CA 0.578 56.723 56.100 0.074 0.000 0.985 339 R CB -0.158 30.165 30.300 0.039 0.000 0.880 339 R HN 0.396 nan 8.270 nan 0.000 0.451 340 N N 0.848 119.601 118.700 0.087 0.000 2.744 340 N HA 0.078 4.818 4.740 0.000 0.000 0.290 340 N C -1.295 174.324 175.510 0.181 0.000 1.206 340 N CA 0.373 53.474 53.050 0.086 0.000 1.119 340 N CB -0.157 38.363 38.487 0.054 0.000 1.449 340 N HN 0.027 nan 8.380 nan 0.000 0.514 341 F N -0.467 119.483 119.950 0.000 0.000 2.693 341 F HA 0.249 4.776 4.527 0.000 0.000 0.309 341 F C -0.765 175.069 175.800 0.057 0.000 1.129 341 F CA -1.294 56.720 58.000 0.023 0.000 0.948 341 F CB 1.108 40.123 39.000 0.024 0.000 1.315 341 F HN 0.233 nan 8.300 nan 0.000 0.447 342 H N 2.827 121.125 119.070 -1.286 0.000 3.089 342 H HA 0.373 4.929 4.556 -0.000 0.000 0.262 342 H C -0.503 174.118 175.328 -1.179 0.000 1.160 342 H CA 0.174 55.607 56.048 -1.026 0.000 1.482 342 H CB 0.366 29.666 29.762 -0.770 0.000 1.511 342 H HN 0.654 nan 8.280 nan 0.000 0.483 343 T N 2.623 116.982 114.554 -0.325 0.000 2.795 343 T HA 0.454 4.804 4.350 0.000 0.000 0.282 343 T C 0.193 174.875 174.700 -0.030 0.000 0.980 343 T CA -0.841 61.178 62.100 -0.135 0.000 1.012 343 T CB 1.491 70.279 68.868 -0.132 0.000 0.936 343 T HN 0.347 nan 8.240 nan 0.000 0.457 344 V N -0.585 119.374 119.914 0.076 0.000 2.960 344 V HA 0.749 4.869 4.120 0.000 0.000 0.315 344 V C -3.090 173.190 176.094 0.310 0.000 1.087 344 V CA -3.543 58.805 62.300 0.081 0.000 0.982 344 V CB 1.341 33.117 31.823 -0.078 0.000 1.039 344 V HN 0.607 nan 8.190 nan 0.000 0.437 345 P HA 0.075 nan 4.420 nan 0.000 0.257 345 P C -1.334 176.322 177.300 0.592 0.000 1.189 345 P CA 0.867 64.193 63.100 0.377 0.000 0.780 345 P CB -0.437 31.324 31.700 0.102 0.000 0.772 346 Y N 4.233 124.744 120.300 0.351 0.000 2.335 346 Y HA 0.515 5.065 4.550 -0.000 0.000 0.338 346 Y C -0.130 175.753 175.900 -0.028 0.000 0.977 346 Y CA -1.511 56.617 58.100 0.045 0.000 1.114 346 Y CB 1.248 39.341 38.460 -0.612 0.000 1.182 346 Y HN 0.192 nan 8.280 nan 0.000 0.463 347 M N 8.039 127.528 119.600 -0.186 0.000 2.078 347 M HA 0.485 4.965 4.480 0.000 0.000 0.320 347 M C -2.173 173.783 176.300 -0.573 0.000 0.969 347 M CA -0.626 54.316 55.300 -0.596 0.000 0.929 347 M CB 0.711 32.544 32.600 -1.278 0.000 1.504 347 M HN 0.400 nan 8.290 nan 0.000 0.419 348 V N 4.080 123.624 119.914 -0.616 0.000 2.547 348 V HA 0.951 5.071 4.120 0.000 0.000 0.299 348 V C 0.425 176.174 176.094 -0.575 0.000 1.040 348 V CA -0.527 61.404 62.300 -0.615 0.000 0.913 348 V CB 1.635 33.040 31.823 -0.696 0.000 0.992 348 V HN 0.985 nan 8.190 nan 0.000 0.449 349 G N 2.993 111.409 108.800 -0.640 0.000 2.690 349 G HA2 0.843 4.803 3.960 0.000 0.000 0.291 349 G HA3 0.843 4.803 3.960 0.000 0.000 0.291 349 G C -1.338 173.220 174.900 -0.571 0.000 1.403 349 G CA -0.571 43.819 45.100 -1.182 0.000 0.864 349 G HN 0.963 nan 8.290 nan 0.000 0.480 350 I N -2.508 117.816 120.570 -0.410 0.000 3.279 350 I HA 0.647 4.817 4.170 0.000 0.000 0.315 350 I C -1.169 175.009 176.117 0.101 0.000 1.187 350 I CA -1.440 59.810 61.300 -0.082 0.000 0.953 350 I CB 2.441 40.416 38.000 -0.043 0.000 1.279 350 I HN 0.470 nan 8.210 nan 0.000 0.465 351 N N 1.022 119.789 118.700 0.112 0.000 2.362 351 N HA 0.291 5.031 4.740 0.000 0.000 0.299 351 N C -0.092 175.514 175.510 0.160 0.000 1.170 351 N CA -0.915 52.258 53.050 0.204 0.000 0.825 351 N CB 2.618 41.220 38.487 0.190 0.000 1.299 351 N HN 0.608 nan 8.380 nan 0.000 0.502 352 K N 0.566 121.074 120.400 0.180 0.000 2.103 352 K HA -0.143 4.177 4.320 0.000 0.000 0.207 352 K C -0.024 176.664 176.600 0.145 0.000 1.048 352 K CA 1.573 57.947 56.287 0.145 0.000 0.930 352 K CB 0.208 32.786 32.500 0.130 0.000 0.716 352 K HN 0.515 nan 8.250 nan 0.000 0.444 353 Q N 0.241 120.133 119.800 0.155 0.000 2.932 353 Q HA 0.086 4.426 4.340 0.000 0.000 0.248 353 Q C -0.430 175.665 176.000 0.157 0.000 0.982 353 Q CA -0.392 55.507 55.803 0.160 0.000 0.730 353 Q CB 1.760 30.592 28.738 0.157 0.000 1.249 353 Q HN 0.157 nan 8.270 nan 0.000 0.476 354 E N 0.670 120.954 120.200 0.141 0.000 2.028 354 E HA -0.122 4.228 4.350 0.000 0.000 0.191 354 E C 0.519 177.192 176.600 0.122 0.000 0.988 354 E CA 1.122 57.563 56.400 0.069 0.000 0.799 354 E CB 0.132 29.766 29.700 -0.111 0.000 0.755 354 E HN 0.437 nan 8.360 nan 0.000 0.447 355 F N 1.406 121.378 119.950 0.038 0.000 2.949 355 F HA 0.241 4.768 4.527 -0.000 0.000 0.291 355 F C 1.480 177.281 175.800 0.002 0.000 1.214 355 F CA -0.257 57.732 58.000 -0.018 0.000 1.381 355 F CB 0.094 39.059 39.000 -0.058 0.000 1.066 355 F HN -0.076 nan 8.300 nan 0.000 0.520 356 G N -0.007 108.841 108.800 0.081 0.000 2.408 356 G HA2 -0.204 3.756 3.960 0.000 0.000 0.213 356 G HA3 -0.204 3.756 3.960 0.000 0.000 0.213 356 G C 0.940 175.927 174.900 0.144 0.000 1.177 356 G CA 0.900 46.079 45.100 0.132 0.000 0.802 356 G HN 0.618 nan 8.290 nan 0.000 0.533 357 W N -1.081 120.166 121.300 -0.089 0.000 5.384 357 W HA 0.340 5.000 4.660 -0.000 0.000 0.169 357 W C 1.749 178.191 176.519 -0.129 0.000 2.358 357 W CA 0.174 57.468 57.345 -0.085 0.000 2.043 357 W CB -0.632 28.828 29.460 -0.001 0.000 0.884 357 W HN 0.049 nan 8.180 nan 0.000 1.055 358 L N 2.149 123.331 121.223 -0.068 0.000 2.013 358 L HA -0.335 4.005 4.340 0.000 0.000 0.239 358 L C 2.302 178.899 176.870 -0.455 0.000 1.100 358 L CA 3.300 57.974 54.840 -0.276 0.000 0.826 358 L CB -1.413 40.742 42.059 0.159 0.000 0.921 358 L HN 0.269 nan 8.230 nan 0.000 0.445 359 I N -0.804 119.536 120.570 -0.384 0.000 2.145 359 I HA -0.290 3.880 4.170 0.000 0.000 0.244 359 I C -0.319 175.436 176.117 -0.603 0.000 1.075 359 I CA 1.817 62.850 61.300 -0.445 0.000 1.332 359 I CB -1.798 35.949 38.000 -0.421 0.000 1.033 359 I HN 0.366 nan 8.210 nan 0.000 0.410 360 P HA -0.144 nan 4.420 nan 0.000 0.218 360 P C 1.062 178.121 177.300 -0.402 0.000 1.149 360 P CA 1.150 63.715 63.100 -0.891 0.000 0.817 360 P CB 0.006 31.108 31.700 -0.997 0.000 0.785 364 M N -0.528 119.055 119.600 -0.027 0.000 2.333 364 M HA 0.256 4.736 4.480 0.000 0.000 0.257 364 M C 0.323 176.705 176.300 0.138 0.000 1.078 364 M CA 0.114 55.476 55.300 0.104 0.000 1.005 364 M CB 0.667 33.414 32.600 0.245 0.000 1.444 364 M HN 0.160 nan 8.290 nan 0.000 0.496 365 S N 0.609 116.358 115.700 0.081 0.000 3.667 365 S HA -0.176 4.294 4.470 0.000 0.000 0.405 365 S C -0.542 174.143 174.600 0.141 0.000 0.913 365 S CA 0.329 58.574 58.200 0.076 0.000 1.288 365 S CB -2.032 61.187 63.200 0.032 0.000 0.905 365 S HN 0.420 nan 8.310 nan 0.000 0.550 366 Y N 0.939 121.247 120.300 0.014 0.000 2.304 366 Y HA 0.339 4.889 4.550 0.000 0.000 0.327 366 Y C -1.091 174.853 175.900 0.072 0.000 1.209 366 Y CA -1.586 56.561 58.100 0.078 0.000 1.299 366 Y CB 0.364 38.905 38.460 0.135 0.000 1.249 366 Y HN 0.069 nan 8.280 nan 0.000 0.519 367 P HA -0.002 nan 4.420 nan 0.000 0.244 367 P C 0.439 177.824 177.300 0.142 0.000 1.211 367 P CA 0.914 64.073 63.100 0.098 0.000 0.760 367 P CB 0.016 31.735 31.700 0.032 0.000 0.961 368 L N -0.621 120.738 121.223 0.227 0.000 2.711 368 L HA -0.021 4.319 4.340 0.000 0.000 0.242 368 L C 1.535 178.497 176.870 0.153 0.000 1.153 368 L CA 0.490 55.455 54.840 0.208 0.000 0.898 368 L CB -1.077 41.147 42.059 0.275 0.000 1.044 368 L HN 0.062 nan 8.230 nan 0.000 0.437 369 S N -1.675 114.100 115.700 0.126 0.000 2.723 369 S HA -0.025 4.445 4.470 0.000 0.000 0.231 369 S C 1.337 175.989 174.600 0.087 0.000 0.967 369 S CA 0.261 58.523 58.200 0.103 0.000 0.958 369 S CB -0.147 63.104 63.200 0.085 0.000 0.778 369 S HN 0.409 nan 8.310 nan 0.000 0.537 370 E N 0.642 120.895 120.200 0.088 0.000 2.364 370 E HA 0.215 4.565 4.350 0.000 0.000 0.196 370 E C 1.725 178.369 176.600 0.074 0.000 0.990 370 E CA 0.715 57.157 56.400 0.071 0.000 0.886 370 E CB -0.100 29.636 29.700 0.061 0.000 0.866 370 E HN 0.637 nan 8.360 nan 0.000 0.493 371 G N 1.745 110.601 108.800 0.093 0.000 2.253 371 G HA2 -0.309 3.651 3.960 0.000 0.000 0.251 371 G HA3 -0.309 3.651 3.960 0.000 0.000 0.251 371 G C 0.441 175.395 174.900 0.090 0.000 0.998 371 G CA 0.876 46.032 45.100 0.093 0.000 0.621 371 G HN 0.408 nan 8.290 nan 0.000 0.524 372 Q N -1.031 118.817 119.800 0.080 0.000 2.633 372 Q HA 0.922 5.262 4.340 0.000 0.000 0.292 372 Q C -0.762 175.278 176.000 0.066 0.000 1.089 372 Q CA -1.130 54.716 55.803 0.071 0.000 0.811 372 Q CB 2.638 31.408 28.738 0.053 0.000 1.472 372 Q HN 1.004 nan 8.270 nan 0.000 0.464 373 L N 0.806 122.059 121.223 0.051 0.000 2.703 373 L HA 0.341 4.681 4.340 0.000 0.000 0.257 373 L C -2.231 174.645 176.870 0.011 0.000 0.923 373 L CA -0.371 54.482 54.840 0.022 0.000 0.936 373 L CB 2.117 44.186 42.059 0.017 0.000 1.482 373 L HN 0.949 nan 8.230 nan 0.000 0.432 374 D N 3.188 123.582 120.400 -0.009 0.000 2.326 374 D HA 0.239 4.879 4.640 0.000 0.000 0.248 374 D C 0.042 176.330 176.300 -0.021 0.000 1.001 374 D CA -0.588 53.410 54.000 -0.004 0.000 0.961 374 D CB 1.389 42.189 40.800 0.000 0.000 1.183 374 D HN 0.580 nan 8.370 nan 0.000 0.502 375 Q N 0.515 120.313 119.800 -0.003 0.000 1.998 375 Q HA -0.222 4.118 4.340 0.000 0.000 0.209 375 Q C 1.840 177.831 176.000 -0.016 0.000 1.002 375 Q CA 1.718 57.520 55.803 -0.001 0.000 0.858 375 Q CB -0.338 28.407 28.738 0.011 0.000 0.932 375 Q HN 0.539 nan 8.270 nan 0.000 0.416 376 K N -0.342 120.052 120.400 -0.011 0.000 2.211 376 K HA -0.105 4.215 4.320 0.000 0.000 0.204 376 K C 1.944 178.531 176.600 -0.021 0.000 1.047 376 K CA 1.393 57.674 56.287 -0.010 0.000 0.935 376 K CB 0.100 32.598 32.500 -0.005 0.000 0.728 376 K HN 0.180 nan 8.250 nan 0.000 0.452 377 T N -0.159 114.371 114.554 -0.041 0.000 3.014 377 T HA 0.031 4.381 4.350 0.000 0.000 0.263 377 T C 1.648 176.265 174.700 -0.138 0.000 1.078 377 T CA 0.824 62.886 62.100 -0.063 0.000 1.135 377 T CB 0.103 68.936 68.868 -0.059 0.000 0.895 377 T HN 0.285 nan 8.240 nan 0.000 0.480 378 A N 1.664 124.379 122.820 -0.175 0.000 1.872 378 A HA 0.101 4.421 4.320 0.000 0.000 0.214 378 A C 2.261 179.770 177.584 -0.125 0.000 1.187 378 A CA 1.003 52.841 52.037 -0.331 0.000 0.614 378 A CB -0.592 18.280 19.000 -0.213 0.000 0.826 378 A HN 0.385 nan 8.150 nan 0.000 0.442 379 M N -0.508 119.084 119.600 -0.013 0.000 2.358 379 M HA -0.112 4.368 4.480 0.000 0.000 0.264 379 M C 2.327 178.689 176.300 0.103 0.000 1.064 379 M CA 1.508 56.843 55.300 0.058 0.000 1.093 379 M CB -0.203 32.413 32.600 0.027 0.000 1.401 379 M HN 0.504 nan 8.290 nan 0.000 0.440 380 S N 0.216 115.956 115.700 0.067 0.000 2.446 380 S HA 0.080 4.550 4.470 0.000 0.000 0.225 380 S C 1.679 176.364 174.600 0.141 0.000 1.016 380 S CA 0.389 58.662 58.200 0.123 0.000 0.943 380 S CB 0.152 63.388 63.200 0.061 0.000 0.786 380 S HN 0.424 nan 8.310 nan 0.000 0.508 381 L N 0.571 121.830 121.223 0.059 0.000 2.162 381 L HA 0.126 4.466 4.340 0.000 0.000 0.205 381 L C 2.118 179.184 176.870 0.326 0.000 1.086 381 L CA 0.609 55.509 54.840 0.101 0.000 0.778 381 L CB -0.202 41.793 42.059 -0.106 0.000 0.928 381 L HN 0.348 nan 8.230 nan 0.000 0.446 382 L N -1.114 120.345 121.223 0.393 0.000 2.291 382 L HA -0.200 4.140 4.340 0.000 0.000 0.214 382 L C 1.975 179.104 176.870 0.433 0.000 1.120 382 L CA 1.495 56.610 54.840 0.460 0.000 0.799 382 L CB -0.497 41.830 42.059 0.447 0.000 0.925 382 L HN 0.314 nan 8.230 nan 0.000 0.446 383 W N 0.369 121.759 121.300 0.150 0.000 2.408 383 W HA -0.210 4.450 4.660 -0.000 0.000 0.311 383 W C 1.906 178.504 176.519 0.131 0.000 1.190 383 W CA 0.683 58.106 57.345 0.129 0.000 1.321 383 W CB 0.194 29.693 29.460 0.066 0.000 1.143 383 W HN 0.004 nan 8.180 nan 0.000 0.501 384 K N 0.355 120.765 120.400 0.017 0.000 2.439 384 K HA -0.033 4.287 4.320 0.000 0.000 0.197 384 K C 1.552 178.124 176.600 -0.046 0.000 1.041 384 K CA 1.048 57.229 56.287 -0.177 0.000 0.970 384 K CB -0.065 32.359 32.500 -0.126 0.000 0.773 384 K HN -0.098 nan 8.250 nan 0.000 0.479 385 S N 0.243 116.003 115.700 0.100 0.000 2.631 385 S HA 0.007 4.477 4.470 0.000 0.000 0.217 385 S C 0.930 175.597 174.600 0.113 0.000 0.958 385 S CA -0.339 57.937 58.200 0.126 0.000 0.920 385 S CB -0.256 63.062 63.200 0.197 0.000 0.776 385 S HN 0.315 nan 8.310 nan 0.000 0.517 386 Y N 4.034 124.318 120.300 -0.027 0.000 2.096 386 Y HA -0.217 4.333 4.550 0.000 0.000 0.278 386 Y C -0.619 175.269 175.900 -0.020 0.000 1.192 386 Y CA 2.201 60.294 58.100 -0.012 0.000 1.143 386 Y CB -1.158 37.210 38.460 -0.155 0.000 0.963 386 Y HN 0.272 nan 8.280 nan 0.000 0.505 387 P HA -0.191 nan 4.420 nan 0.000 0.219 387 P C 1.400 178.663 177.300 -0.062 0.000 1.146 387 P CA 1.839 64.952 63.100 0.021 0.000 0.808 387 P CB -0.080 31.652 31.700 0.053 0.000 0.779 388 L N -0.606 120.581 121.223 -0.060 0.000 2.189 388 L HA -0.014 4.326 4.340 0.000 0.000 0.199 388 L C 2.771 179.518 176.870 -0.205 0.000 1.074 388 L CA 0.884 55.659 54.840 -0.108 0.000 0.783 388 L CB -0.792 41.233 42.059 -0.057 0.000 0.955 388 L HN -0.156 nan 8.230 nan 0.000 0.460 389 V N -4.687 115.109 119.914 -0.196 0.000 2.725 389 V HA 0.006 4.126 4.120 0.000 0.000 0.247 389 V C 1.310 177.285 176.094 -0.199 0.000 1.058 389 V CA -0.148 62.019 62.300 -0.223 0.000 1.080 389 V CB -0.318 31.409 31.823 -0.160 0.000 0.713 389 V HN 0.582 nan 8.190 nan 0.000 0.465 390 C N 1.026 120.131 119.300 -0.324 0.000 4.350 390 C HA -0.154 4.306 4.460 0.000 0.000 0.302 390 C C 0.543 175.416 174.990 -0.195 0.000 1.390 390 C CA 0.110 58.799 59.018 -0.549 0.000 2.016 390 C CB -3.082 24.448 27.740 -0.350 0.000 1.271 390 C HN 0.661 nan 8.230 nan 0.000 0.760 391 I N 0.907 121.446 120.570 -0.052 0.000 2.385 391 I HA 0.533 4.703 4.170 0.000 0.000 0.294 391 I C 0.923 177.196 176.117 0.260 0.000 0.988 391 I CA 0.017 61.365 61.300 0.081 0.000 1.265 391 I CB 1.068 39.146 38.000 0.129 0.000 1.388 391 I HN 0.442 nan 8.210 nan 0.000 0.480 392 A N 5.365 128.257 122.820 0.120 0.000 2.386 392 A HA 0.133 4.453 4.320 0.000 0.000 0.248 392 A C 1.259 178.829 177.584 -0.024 0.000 1.082 392 A CA -0.296 51.837 52.037 0.160 0.000 0.789 392 A CB 0.288 19.307 19.000 0.032 0.000 1.025 392 A HN 0.914 nan 8.150 nan 0.000 0.490 393 K N 0.121 120.357 120.400 -0.273 0.000 2.362 393 K HA -0.105 4.215 4.320 0.000 0.000 0.200 393 K C 0.824 177.208 176.600 -0.359 0.000 1.046 393 K CA 1.565 57.454 56.287 -0.663 0.000 0.952 393 K CB 0.106 31.911 32.500 -1.159 0.000 0.753 393 K HN 0.757 nan 8.250 nan 0.000 0.466 394 E N 0.167 120.241 120.200 -0.210 0.000 2.385 394 E HA -0.055 4.295 4.350 0.000 0.000 0.194 394 E C 1.614 178.147 176.600 -0.111 0.000 1.013 394 E CA 0.464 56.777 56.400 -0.145 0.000 0.866 394 E CB 0.250 29.888 29.700 -0.104 0.000 0.832 394 E HN 0.386 nan 8.360 nan 0.000 0.500 395 L N 0.580 121.738 121.223 -0.109 0.000 2.554 395 L HA 0.083 4.423 4.340 0.000 0.000 0.225 395 L C 2.085 178.933 176.870 -0.038 0.000 1.104 395 L CA -0.112 54.674 54.840 -0.090 0.000 0.866 395 L CB -0.179 41.786 42.059 -0.156 0.000 1.047 395 L HN 0.000 nan 8.230 nan 0.000 0.468 396 I N 1.062 121.608 120.570 -0.039 0.000 2.145 396 I HA -0.220 3.950 4.170 0.000 0.000 0.244 396 I C 0.010 176.147 176.117 0.034 0.000 1.075 396 I CA 2.071 63.382 61.300 0.019 0.000 1.332 396 I CB -2.374 35.611 38.000 -0.026 0.000 1.033 396 I HN 0.203 nan 8.210 nan 0.000 0.410 397 P HA -0.164 nan 4.420 nan 0.000 0.214 397 P C 1.756 179.078 177.300 0.036 0.000 1.162 397 P CA 1.368 64.475 63.100 0.011 0.000 0.879 397 P CB -0.024 31.667 31.700 -0.015 0.000 0.786 398 E N -0.688 119.532 120.200 0.034 0.000 2.118 398 E HA -0.215 4.135 4.350 0.000 0.000 0.195 398 E C 1.856 178.543 176.600 0.145 0.000 0.992 398 E CA 1.328 57.771 56.400 0.071 0.000 0.804 398 E CB -0.425 29.310 29.700 0.057 0.000 0.741 398 E HN 0.092 nan 8.360 nan 0.000 0.458 399 A N -0.310 122.595 122.820 0.142 0.000 1.855 399 A HA -0.084 4.236 4.320 0.000 0.000 0.213 399 A C 2.377 180.074 177.584 0.188 0.000 1.195 399 A CA 1.575 53.726 52.037 0.191 0.000 0.610 399 A CB -0.785 18.336 19.000 0.202 0.000 0.837 399 A HN 0.246 nan 8.150 nan 0.000 0.444 400 T N -0.257 114.393 114.554 0.160 0.000 2.759 400 T HA -0.156 4.194 4.350 0.000 0.000 0.269 400 T C 1.909 176.690 174.700 0.134 0.000 1.042 400 T CA 1.914 64.112 62.100 0.165 0.000 1.140 400 T CB -0.201 68.743 68.868 0.126 0.000 0.864 400 T HN 0.600 nan 8.240 nan 0.000 0.455 401 E N 1.066 121.315 120.200 0.082 0.000 2.106 401 E HA -0.101 4.249 4.350 0.000 0.000 0.192 401 E C 2.078 178.681 176.600 0.005 0.000 0.984 401 E CA 1.189 57.611 56.400 0.038 0.000 0.806 401 E CB -0.145 29.562 29.700 0.012 0.000 0.750 401 E HN 0.260 nan 8.360 nan 0.000 0.458 402 K N -0.977 119.406 120.400 -0.029 0.000 2.097 402 K HA -0.147 4.173 4.320 0.000 0.000 0.206 402 K C 1.564 178.092 176.600 -0.119 0.000 1.049 402 K CA 1.518 57.679 56.287 -0.210 0.000 0.933 402 K CB -0.406 31.718 32.500 -0.626 0.000 0.717 402 K HN 0.221 nan 8.250 nan 0.000 0.442 403 Y N -0.162 120.086 120.300 -0.086 0.000 2.266 403 Y HA 0.164 4.714 4.550 0.000 0.000 0.294 403 Y C 1.847 177.771 175.900 0.041 0.000 1.127 403 Y CA 0.964 59.069 58.100 0.009 0.000 1.140 403 Y CB -0.041 38.489 38.460 0.117 0.000 1.071 403 Y HN -0.114 nan 8.280 nan 0.000 0.525 404 L N -1.358 120.009 121.223 0.240 0.000 2.270 404 L HA 0.069 4.409 4.340 0.000 0.000 0.210 404 L C 2.468 179.387 176.870 0.083 0.000 1.104 404 L CA 0.848 55.783 54.840 0.159 0.000 0.804 404 L CB -1.104 41.050 42.059 0.159 0.000 0.937 404 L HN 0.277 nan 8.230 nan 0.000 0.450 405 G N 0.654 109.487 108.800 0.057 0.000 2.549 405 G HA2 -0.223 3.737 3.960 0.000 0.000 0.222 405 G HA3 -0.223 3.737 3.960 0.000 0.000 0.222 405 G C 1.418 176.322 174.900 0.007 0.000 1.100 405 G CA 0.861 45.973 45.100 0.019 0.000 0.739 405 G HN 0.481 nan 8.290 nan 0.000 0.577 406 G N 0.061 108.867 108.800 0.009 0.000 2.808 406 G HA2 0.043 4.003 3.960 0.000 0.000 0.211 406 G HA3 0.043 4.003 3.960 0.000 0.000 0.211 406 G C 0.804 175.711 174.900 0.012 0.000 1.364 406 G CA 1.227 46.327 45.100 0.000 0.000 0.824 406 G HN 0.409 nan 8.290 nan 0.000 0.630 407 T N 0.771 115.340 114.554 0.026 0.000 2.918 407 T HA 0.362 4.712 4.350 0.000 0.000 0.283 407 T C 0.507 175.226 174.700 0.032 0.000 1.001 407 T CA -0.256 61.860 62.100 0.027 0.000 1.041 407 T CB 1.579 70.467 68.868 0.033 0.000 1.028 407 T HN 0.237 nan 8.240 nan 0.000 0.511 408 D N 0.202 120.618 120.400 0.026 0.000 2.346 408 D HA -0.002 4.638 4.640 0.000 0.000 0.206 408 D C 0.429 176.747 176.300 0.030 0.000 1.001 408 D CA 0.197 54.212 54.000 0.026 0.000 0.871 408 D CB 0.032 40.843 40.800 0.019 0.000 0.943 408 D HN 0.548 nan 8.370 nan 0.000 0.518 409 D N 1.770 122.190 120.400 0.033 0.000 2.389 409 D HA -0.065 4.575 4.640 0.000 0.000 0.263 409 D C 1.657 177.984 176.300 0.046 0.000 1.255 409 D CA 0.275 54.297 54.000 0.037 0.000 0.914 409 D CB 0.850 41.672 40.800 0.038 0.000 1.116 409 D HN -0.025 nan 8.370 nan 0.000 0.502 410 T N 0.559 115.139 114.554 0.042 0.000 2.802 410 T HA -0.226 4.124 4.350 0.000 0.000 0.269 410 T C 1.818 176.556 174.700 0.063 0.000 1.062 410 T CA 1.309 63.438 62.100 0.048 0.000 1.133 410 T CB -0.390 68.501 68.868 0.038 0.000 0.852 410 T HN 0.251 nan 8.240 nan 0.000 0.485 411 V N 1.462 121.414 119.914 0.063 0.000 2.323 411 V HA -0.048 4.072 4.120 0.000 0.000 0.244 411 V C 2.777 178.927 176.094 0.092 0.000 1.041 411 V CA 1.737 64.082 62.300 0.076 0.000 1.025 411 V CB -0.488 31.374 31.823 0.065 0.000 0.656 411 V HN 0.485 nan 8.190 nan 0.000 0.451 412 K N -0.131 120.318 120.400 0.083 0.000 2.283 412 K HA -0.091 4.229 4.320 0.000 0.000 0.202 412 K C 2.021 178.692 176.600 0.119 0.000 1.048 412 K CA 0.785 57.128 56.287 0.094 0.000 0.948 412 K CB -0.093 32.452 32.500 0.074 0.000 0.742 412 K HN 0.388 nan 8.250 nan 0.000 0.458 413 K N 0.614 121.082 120.400 0.113 0.000 2.439 413 K HA -0.071 4.249 4.320 0.000 0.000 0.197 413 K C 1.948 178.660 176.600 0.186 0.000 1.041 413 K CA 0.550 56.918 56.287 0.135 0.000 0.970 413 K CB 0.214 32.771 32.500 0.095 0.000 0.773 413 K HN -0.024 nan 8.250 nan 0.000 0.479 414 K N 1.429 121.938 120.400 0.181 0.000 2.128 414 K HA -0.086 4.234 4.320 0.000 0.000 0.202 414 K C 1.064 177.833 176.600 0.282 0.000 1.050 414 K CA 1.193 57.624 56.287 0.240 0.000 0.966 414 K CB 0.155 32.767 32.500 0.188 0.000 0.759 414 K HN -0.005 nan 8.250 nan 0.000 0.454 415 D N 1.252 121.780 120.400 0.214 0.000 2.178 415 D HA -0.108 4.532 4.640 0.000 0.000 0.201 415 D C 1.965 178.399 176.300 0.225 0.000 0.980 415 D CA 0.819 54.940 54.000 0.201 0.000 0.842 415 D CB 0.200 41.092 40.800 0.154 0.000 0.948 415 D HN 0.242 nan 8.370 nan 0.000 0.472 416 L N -0.432 120.939 121.223 0.247 0.000 2.270 416 L HA -0.038 4.302 4.340 0.000 0.000 0.210 416 L C 2.226 179.300 176.870 0.340 0.000 1.104 416 L CA 0.158 55.175 54.840 0.296 0.000 0.804 416 L CB -0.238 41.990 42.059 0.282 0.000 0.937 416 L HN -0.062 nan 8.230 nan 0.000 0.450 417 F N 0.903 120.959 119.950 0.177 0.000 2.186 417 F HA -0.131 4.396 4.527 0.000 0.000 0.299 417 F C 2.059 177.917 175.800 0.098 0.000 1.090 417 F CA 1.342 59.417 58.000 0.125 0.000 1.307 417 F CB -0.101 38.978 39.000 0.132 0.000 1.019 417 F HN -0.124 nan 8.300 nan 0.000 0.489 418 L N -0.348 120.925 121.223 0.084 0.000 2.072 418 L HA -0.176 4.164 4.340 0.000 0.000 0.205 418 L C 2.236 179.134 176.870 0.047 0.000 1.079 418 L CA 1.388 56.271 54.840 0.072 0.000 0.752 418 L CB -0.854 41.374 42.059 0.281 0.000 0.906 418 L HN 0.073 nan 8.230 nan 0.000 0.436 419 D N 0.200 120.686 120.400 0.143 0.000 2.117 419 D HA -0.183 4.457 4.640 0.000 0.000 0.197 419 D C 2.192 178.589 176.300 0.162 0.000 0.987 419 D CA 0.911 55.032 54.000 0.202 0.000 0.829 419 D CB 0.061 41.030 40.800 0.280 0.000 0.961 419 D HN 0.131 nan 8.370 nan 0.000 0.460 420 L N 1.553 122.798 121.223 0.037 0.000 1.971 420 L HA -0.211 4.129 4.340 0.000 0.000 0.215 420 L C 2.341 179.019 176.870 -0.321 0.000 1.072 420 L CA 1.582 56.232 54.840 -0.317 0.000 0.758 420 L CB -1.088 40.709 42.059 -0.437 0.000 0.889 420 L HN 0.041 nan 8.230 nan 0.000 0.433 421 I N 0.259 120.529 120.570 -0.500 0.000 2.264 421 I HA -0.313 3.857 4.170 0.000 0.000 0.248 421 I C 2.834 178.744 176.117 -0.346 0.000 1.111 421 I CA 1.176 62.114 61.300 -0.605 0.000 1.382 421 I CB -0.593 36.695 38.000 -1.187 0.000 1.060 421 I HN 0.382 nan 8.210 nan 0.000 0.418 422 A N 1.027 123.779 122.820 -0.114 0.000 1.859 422 A HA -0.290 4.030 4.320 0.000 0.000 0.217 422 A C 1.908 179.542 177.584 0.083 0.000 1.198 422 A CA 2.417 54.541 52.037 0.145 0.000 0.629 422 A CB -0.858 18.274 19.000 0.219 0.000 0.830 422 A HN 0.362 nan 8.150 nan 0.000 0.446 423 D N -0.567 119.871 120.400 0.064 0.000 2.228 423 D HA -0.105 4.535 4.640 0.000 0.000 0.203 423 D C 1.838 177.992 176.300 -0.244 0.000 0.988 423 D CA 1.414 55.441 54.000 0.044 0.000 0.864 423 D CB -0.282 40.706 40.800 0.312 0.000 0.928 423 D HN 0.287 nan 8.370 nan 0.000 0.469 424 V N 0.051 119.706 119.914 -0.431 0.000 2.599 424 V HA -0.060 4.060 4.120 0.000 0.000 0.245 424 V C 2.261 178.053 176.094 -0.504 0.000 1.046 424 V CA 0.902 62.823 62.300 -0.632 0.000 1.065 424 V CB -0.231 31.156 31.823 -0.726 0.000 0.703 424 V HN 0.194 nan 8.190 nan 0.000 0.464 425 M N -1.221 118.086 119.600 -0.488 0.000 2.287 425 M HA 0.119 4.599 4.480 0.000 0.000 0.266 425 M C 1.630 177.333 176.300 -0.995 0.000 1.079 425 M CA 2.003 56.832 55.300 -0.786 0.000 1.146 425 M CB -0.039 31.977 32.600 -0.974 0.000 1.374 425 M HN 0.412 nan 8.290 nan 0.000 0.435 426 F N -1.748 118.142 119.950 -0.100 0.000 2.754 426 F HA 0.365 4.892 4.527 -0.000 0.000 0.316 426 F C 2.143 177.896 175.800 -0.078 0.000 0.959 426 F CA -0.080 57.882 58.000 -0.063 0.000 1.148 426 F CB -1.120 37.885 39.000 0.008 0.000 0.951 426 F HN 0.015 nan 8.300 nan 0.000 0.625 427 G N 1.506 110.372 108.800 0.109 0.000 2.910 427 G HA2 -0.190 3.770 3.960 0.000 0.000 0.206 427 G HA3 -0.190 3.770 3.960 0.000 0.000 0.206 427 G C 1.690 176.588 174.900 -0.003 0.000 1.406 427 G CA 1.762 46.898 45.100 0.060 0.000 0.816 427 G HN 0.070 nan 8.290 nan 0.000 0.669 428 V N 2.622 122.524 119.914 -0.020 0.000 2.250 428 V HA -0.180 3.940 4.120 0.000 0.000 0.250 428 V C 0.527 176.579 176.094 -0.070 0.000 1.060 428 V CA 2.710 64.998 62.300 -0.019 0.000 1.030 428 V CB -1.478 30.327 31.823 -0.030 0.000 0.643 428 V HN 0.317 nan 8.190 nan 0.000 0.445 429 P HA -0.174 nan 4.420 nan 0.000 0.213 429 P C 2.096 179.337 177.300 -0.098 0.000 1.176 429 P CA 2.283 65.300 63.100 -0.138 0.000 0.919 429 P CB -0.209 31.376 31.700 -0.193 0.000 0.791 430 S N -1.084 114.563 115.700 -0.089 0.000 2.392 430 S HA -0.148 4.322 4.470 0.000 0.000 0.232 430 S C 1.904 176.412 174.600 -0.153 0.000 1.041 430 S CA 1.453 59.584 58.200 -0.116 0.000 1.026 430 S CB -1.173 61.964 63.200 -0.105 0.000 0.845 430 S HN -0.062 nan 8.310 nan 0.000 0.465 431 V N 1.738 121.584 119.914 -0.113 0.000 2.302 431 V HA -0.067 4.053 4.120 0.000 0.000 0.243 431 V C 2.075 178.152 176.094 -0.030 0.000 1.036 431 V CA 1.206 63.447 62.300 -0.099 0.000 1.020 431 V CB -0.579 31.225 31.823 -0.033 0.000 0.657 431 V HN 0.454 nan 8.190 nan 0.000 0.453 432 I N 0.163 120.726 120.570 -0.011 0.000 2.248 432 I HA -0.267 3.903 4.170 0.000 0.000 0.248 432 I C 2.432 178.563 176.117 0.023 0.000 1.107 432 I CA 1.484 62.793 61.300 0.016 0.000 1.373 432 I CB -0.498 37.496 38.000 -0.010 0.000 1.055 432 I HN 0.193 nan 8.210 nan 0.000 0.418 433 V N 1.106 121.015 119.914 -0.009 0.000 2.295 433 V HA -0.288 3.832 4.120 0.000 0.000 0.246 433 V C 2.768 178.894 176.094 0.054 0.000 1.049 433 V CA 1.966 64.282 62.300 0.026 0.000 1.024 433 V CB -0.942 30.883 31.823 0.003 0.000 0.648 433 V HN 0.506 nan 8.190 nan 0.000 0.447 434 A N -0.137 122.650 122.820 -0.056 0.000 1.940 434 A HA -0.252 4.068 4.320 0.000 0.000 0.219 434 A C 2.362 180.066 177.584 0.200 0.000 1.176 434 A CA 1.932 53.925 52.037 -0.073 0.000 0.631 434 A CB -0.496 18.235 19.000 -0.450 0.000 0.814 434 A HN 0.534 nan 8.150 nan 0.000 0.446 435 R N -0.830 119.804 120.500 0.223 0.000 2.115 435 R HA -0.065 4.275 4.340 0.000 0.000 0.226 435 R C 1.696 178.099 176.300 0.172 0.000 1.100 435 R CA 1.519 57.769 56.100 0.251 0.000 0.980 435 R CB -0.332 30.081 30.300 0.188 0.000 0.875 435 R HN 0.623 nan 8.270 nan 0.000 0.445 436 N N -0.644 118.148 118.700 0.154 0.000 2.354 436 N HA -0.117 4.623 4.740 0.000 0.000 0.179 436 N C 1.502 177.121 175.510 0.181 0.000 1.021 436 N CA 0.673 53.803 53.050 0.135 0.000 0.887 436 N CB 0.025 38.578 38.487 0.109 0.000 0.974 436 N HN 0.239 nan 8.380 nan 0.000 0.437 437 H N 0.649 119.807 119.070 0.145 0.000 2.372 437 H HA 0.163 4.719 4.556 -0.000 0.000 0.301 437 H C 2.165 177.585 175.328 0.152 0.000 1.065 437 H CA 1.197 57.355 56.048 0.183 0.000 1.364 437 H CB 0.203 30.129 29.762 0.273 0.000 1.406 437 H HN -0.026 nan 8.280 nan 0.000 0.521 438 R N 0.490 121.120 120.500 0.216 0.000 2.082 438 R HA -0.159 4.181 4.340 0.000 0.000 0.234 438 R C 1.460 177.784 176.300 0.040 0.000 1.136 438 R CA 2.156 58.333 56.100 0.129 0.000 0.935 438 R CB -0.386 30.024 30.300 0.184 0.000 0.842 438 R HN 0.357 nan 8.270 nan 0.000 0.430 439 D N 0.563 120.998 120.400 0.058 0.000 2.133 439 D HA -0.181 4.459 4.640 0.000 0.000 0.192 439 D C 1.564 177.868 176.300 0.007 0.000 1.001 439 D CA 1.769 55.786 54.000 0.029 0.000 0.844 439 D CB -0.397 40.428 40.800 0.043 0.000 0.944 439 D HN 0.464 nan 8.370 nan 0.000 0.447 440 A N 0.091 122.912 122.820 0.002 0.000 2.277 440 A HA 0.262 4.582 4.320 0.000 0.000 0.208 440 A C 1.253 178.805 177.584 -0.053 0.000 1.202 440 A CA 1.171 53.199 52.037 -0.015 0.000 0.762 440 A CB -0.781 18.217 19.000 -0.004 0.000 0.770 440 A HN 0.337 nan 8.150 nan 0.000 0.487 441 G N -1.772 106.995 108.800 -0.055 0.000 2.636 441 G HA2 0.373 4.333 3.960 0.000 0.000 0.261 441 G HA3 0.373 4.333 3.960 0.000 0.000 0.261 441 G C -0.183 174.662 174.900 -0.091 0.000 1.018 441 G CA 0.130 45.197 45.100 -0.054 0.000 1.308 441 G HN 2.013 nan 8.290 nan 0.000 0.514 442 A N 3.341 126.104 122.820 -0.095 0.000 2.582 442 A HA 0.835 5.155 4.320 0.000 0.000 0.297 442 A C -2.958 174.650 177.584 0.042 0.000 1.059 442 A CA -1.113 50.867 52.037 -0.096 0.000 0.705 442 A CB 1.574 20.332 19.000 -0.404 0.000 1.279 442 A HN 0.372 nan 8.150 nan 0.000 0.404 443 P HA 0.192 nan 4.420 nan 0.000 0.258 443 P C -0.185 177.277 177.300 0.270 0.000 1.214 443 P CA 1.050 64.241 63.100 0.151 0.000 0.872 443 P CB 0.327 32.154 31.700 0.212 0.000 0.890 444 T N 3.170 117.796 114.554 0.121 0.000 2.950 444 T HA 0.603 4.953 4.350 0.000 0.000 0.288 444 T C -0.776 173.825 174.700 -0.166 0.000 1.035 444 T CA -0.183 62.023 62.100 0.176 0.000 1.028 444 T CB 0.810 69.849 68.868 0.284 0.000 1.109 444 T HN 0.115 nan 8.240 nan 0.000 0.514 445 Y N 0.057 120.307 120.300 -0.084 0.000 2.519 445 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 445 Y C -0.371 175.421 175.900 -0.180 0.000 1.089 445 Y CA -1.016 56.983 58.100 -0.170 0.000 1.025 445 Y CB 1.950 40.042 38.460 -0.614 0.000 1.318 445 Y HN 0.362 nan 8.280 nan 0.000 0.452 446 M N 3.200 122.964 119.600 0.273 0.000 2.550 446 M HA 0.523 5.003 4.480 0.000 0.000 0.292 446 M C -1.527 175.082 176.300 0.515 0.000 1.221 446 M CA -0.893 54.467 55.300 0.100 0.000 0.873 446 M CB 3.264 35.679 32.600 -0.309 0.000 1.727 446 M HN 0.793 nan 8.290 nan 0.000 0.459 447 Y N -1.136 119.328 120.300 0.274 0.000 2.728 447 Y HA 0.815 5.365 4.550 0.000 0.000 0.330 447 Y C -1.517 174.466 175.900 0.139 0.000 1.234 447 Y CA -0.952 57.279 58.100 0.218 0.000 1.070 447 Y CB 1.651 40.232 38.460 0.202 0.000 1.300 447 Y HN 0.696 nan 8.280 nan 0.000 0.467 448 E N 1.411 121.933 120.200 0.537 0.000 2.313 448 E HA 0.283 4.633 4.350 0.000 0.000 0.280 448 E C -2.368 174.512 176.600 0.467 0.000 0.898 448 E CA -0.636 55.989 56.400 0.375 0.000 0.803 448 E CB 1.602 31.409 29.700 0.178 0.000 1.286 448 E HN 0.617 nan 8.360 nan 0.000 0.401 449 F N 3.279 123.443 119.950 0.358 0.000 2.396 449 F HA 0.292 4.819 4.527 -0.000 0.000 0.343 449 F C -0.089 175.814 175.800 0.171 0.000 1.104 449 F CA 0.086 58.218 58.000 0.220 0.000 1.161 449 F CB 1.285 40.401 39.000 0.193 0.000 1.146 449 F HN 0.513 nan 8.300 nan 0.000 0.522 450 Q N 6.676 126.272 119.800 -0.340 0.000 3.255 450 Q HA 0.231 4.571 4.340 0.000 0.000 0.231 450 Q C -2.241 173.646 176.000 -0.188 0.000 0.935 450 Q CA -0.447 55.285 55.803 -0.117 0.000 0.714 450 Q CB 0.824 29.539 28.738 -0.038 0.000 1.345 450 Q HN 0.814 nan 8.270 nan 0.000 0.463 451 Y N 0.395 120.567 120.300 -0.214 0.000 2.638 451 Y HA 0.498 5.048 4.550 0.000 0.000 0.335 451 Y C -1.806 174.166 175.900 0.120 0.000 1.155 451 Y CA -0.972 57.069 58.100 -0.099 0.000 1.046 451 Y CB 1.714 40.057 38.460 -0.195 0.000 1.303 451 Y HN 0.401 nan 8.280 nan 0.000 0.460 452 R N 5.278 125.475 120.500 -0.504 0.000 2.415 452 R HA 0.433 4.773 4.340 0.000 0.000 0.292 452 R C -2.924 173.218 176.300 -0.264 0.000 1.295 452 R CA -2.065 53.891 56.100 -0.240 0.000 1.137 452 R CB 0.961 31.092 30.300 -0.282 0.000 1.135 452 R HN 0.410 nan 8.270 nan 0.000 0.560 453 P HA -0.034 nan 4.420 nan 0.000 0.267 453 P C 0.052 177.168 177.300 -0.308 0.000 1.200 453 P CA 0.149 63.287 63.100 0.064 0.000 0.772 453 P CB 1.192 33.033 31.700 0.236 0.000 0.855 454 S N 0.464 115.778 115.700 -0.644 0.000 2.720 454 S HA 0.066 4.536 4.470 0.000 0.000 0.222 454 S C 0.958 175.179 174.600 -0.631 0.000 0.958 454 S CA 0.019 57.855 58.200 -0.608 0.000 0.943 454 S CB -1.149 61.701 63.200 -0.584 0.000 0.779 454 S HN 0.439 nan 8.310 nan 0.000 0.526 455 F N 0.982 120.729 119.950 -0.337 0.000 2.694 455 F HA 0.315 4.842 4.527 -0.000 0.000 0.292 455 F C 1.323 176.957 175.800 -0.277 0.000 1.121 455 F CA -0.712 57.017 58.000 -0.452 0.000 1.352 455 F CB -0.278 38.093 39.000 -1.049 0.000 1.107 455 F HN 0.027 nan 8.300 nan 0.000 0.597 456 S N 1.024 116.687 115.700 -0.062 0.000 2.542 456 S HA -0.109 4.361 4.470 0.000 0.000 0.287 456 S C 0.543 175.128 174.600 -0.026 0.000 1.315 456 S CA -0.236 57.986 58.200 0.037 0.000 1.037 456 S CB 0.408 63.587 63.200 -0.035 0.000 0.822 456 S HN 0.275 nan 8.310 nan 0.000 0.513 457 S N 0.940 116.622 115.700 -0.030 0.000 2.558 457 S HA -0.041 4.429 4.470 0.000 0.000 0.288 457 S C 0.726 175.226 174.600 -0.167 0.000 1.318 457 S CA -0.518 57.643 58.200 -0.066 0.000 1.056 457 S CB 0.109 63.288 63.200 -0.035 0.000 0.853 457 S HN 0.614 nan 8.310 nan 0.000 0.505 458 D N 4.201 124.550 120.400 -0.085 0.000 2.390 458 D HA -0.025 4.615 4.640 0.000 0.000 0.235 458 D C 0.832 177.067 176.300 -0.109 0.000 1.040 458 D CA 0.809 54.754 54.000 -0.091 0.000 0.923 458 D CB 0.029 40.804 40.800 -0.042 0.000 0.886 458 D HN 0.620 nan 8.370 nan 0.000 0.532 459 M N -0.305 119.196 119.600 -0.165 0.000 2.306 459 M HA 0.071 4.551 4.480 0.000 0.000 0.292 459 M C 0.601 176.646 176.300 -0.425 0.000 1.018 459 M CA -0.146 55.078 55.300 -0.127 0.000 1.007 459 M CB 1.094 33.762 32.600 0.113 0.000 1.510 459 M HN -0.276 nan 8.290 nan 0.000 0.537 460 K N 3.391 123.294 120.400 -0.828 0.000 2.234 460 K HA 0.326 4.646 4.320 0.000 0.000 0.277 460 K C -2.309 173.957 176.600 -0.557 0.000 1.038 460 K CA -1.752 53.776 56.287 -1.265 0.000 0.888 460 K CB 1.062 32.694 32.500 -1.446 0.000 1.091 460 K HN -0.124 nan 8.250 nan 0.000 0.467 461 P HA -0.055 nan 4.420 nan 0.000 0.266 461 P C -0.621 176.589 177.300 -0.150 0.000 1.193 461 P CA 0.186 63.184 63.100 -0.169 0.000 0.770 461 P CB 0.648 32.308 31.700 -0.067 0.000 0.836 462 K N 0.490 120.823 120.400 -0.112 0.000 2.504 462 K HA -0.034 4.286 4.320 0.000 0.000 0.195 462 K C 1.624 178.178 176.600 -0.077 0.000 1.036 462 K CA 1.298 57.522 56.287 -0.106 0.000 0.984 462 K CB -0.363 32.078 32.500 -0.099 0.000 0.788 462 K HN 0.625 nan 8.250 nan 0.000 0.488 463 T N -2.478 112.047 114.554 -0.048 0.000 3.081 463 T HA 0.061 4.411 4.350 0.000 0.000 0.255 463 T C 0.771 175.473 174.700 0.003 0.000 1.113 463 T CA -0.180 61.910 62.100 -0.018 0.000 1.082 463 T CB 0.063 68.935 68.868 0.006 0.000 0.939 463 T HN -0.210 nan 8.240 nan 0.000 0.506 464 V N 2.941 122.854 119.914 -0.001 0.000 2.387 464 V HA 0.378 4.498 4.120 0.000 0.000 0.260 464 V C -0.019 176.095 176.094 0.033 0.000 1.054 464 V CA -0.488 61.837 62.300 0.043 0.000 0.967 464 V CB -0.166 31.695 31.823 0.064 0.000 1.036 464 V HN 0.474 nan 8.190 nan 0.000 0.481 465 I N 3.814 124.415 120.570 0.051 0.000 2.404 465 I HA 0.594 4.764 4.170 0.000 0.000 0.293 465 I C 0.981 177.170 176.117 0.119 0.000 0.992 465 I CA -0.520 60.808 61.300 0.046 0.000 1.149 465 I CB 1.729 39.728 38.000 -0.001 0.000 1.315 465 I HN 0.756 nan 8.210 nan 0.000 0.446 466 G N 3.951 112.864 108.800 0.188 0.000 2.353 466 G HA2 -0.235 3.725 3.960 0.000 0.000 0.294 466 G HA3 -0.235 3.725 3.960 0.000 0.000 0.294 466 G C -0.450 174.594 174.900 0.240 0.000 1.077 466 G CA -0.006 45.273 45.100 0.299 0.000 1.098 466 G HN 0.757 nan 8.290 nan 0.000 0.511 467 D N -1.016 119.519 120.400 0.226 0.000 2.423 467 D HA 0.429 5.069 4.640 0.000 0.000 0.255 467 D C 0.884 177.299 176.300 0.192 0.000 1.174 467 D CA -0.647 53.484 54.000 0.219 0.000 1.008 467 D CB 0.450 41.410 40.800 0.266 0.000 1.101 467 D HN 0.360 nan 8.370 nan 0.000 0.516 468 H N -0.641 118.474 119.070 0.076 0.000 3.070 468 H HA 0.295 4.851 4.556 0.000 0.000 0.313 468 H C 1.333 176.663 175.328 0.003 0.000 0.997 468 H CA 1.884 57.934 56.048 0.004 0.000 1.438 468 H CB 0.059 29.830 29.762 0.014 0.000 1.455 468 H HN 0.606 nan 8.280 nan 0.000 0.575 469 G N 4.126 112.648 108.800 -0.462 0.000 2.205 469 G HA2 -0.362 3.598 3.960 0.000 0.000 0.261 469 G HA3 -0.362 3.598 3.960 0.000 0.000 0.261 469 G C 1.213 175.794 174.900 -0.531 0.000 0.980 469 G CA 0.570 45.273 45.100 -0.662 0.000 0.632 469 G HN 0.656 nan 8.290 nan 0.000 0.533 470 D N 0.998 121.272 120.400 -0.209 0.000 2.221 470 D HA -0.046 4.594 4.640 0.000 0.000 0.204 470 D C 2.420 178.540 176.300 -0.300 0.000 0.982 470 D CA 1.384 55.368 54.000 -0.027 0.000 0.857 470 D CB -0.071 40.873 40.800 0.239 0.000 0.934 470 D HN 0.753 nan 8.370 nan 0.000 0.475 471 E N 1.182 120.979 120.200 -0.672 0.000 2.208 471 E HA -0.132 4.218 4.350 0.000 0.000 0.193 471 E C 2.127 178.350 176.600 -0.629 0.000 0.988 471 E CA 0.296 56.042 56.400 -1.090 0.000 0.828 471 E CB -0.653 28.457 29.700 -0.984 0.000 0.763 471 E HN 0.320 nan 8.360 nan 0.000 0.478 472 L N -0.085 120.803 121.223 -0.558 0.000 2.081 472 L HA -0.163 4.177 4.340 0.000 0.000 0.212 472 L C 2.651 179.337 176.870 -0.308 0.000 1.080 472 L CA 1.652 56.218 54.840 -0.457 0.000 0.754 472 L CB -0.692 40.949 42.059 -0.697 0.000 0.893 472 L HN 0.040 nan 8.230 nan 0.000 0.433 473 F N -0.665 119.223 119.950 -0.102 0.000 2.186 473 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 473 F C 2.679 178.461 175.800 -0.030 0.000 1.090 473 F CA 0.949 58.945 58.000 -0.007 0.000 1.307 473 F CB -0.338 38.796 39.000 0.224 0.000 1.019 473 F HN -0.008 nan 8.300 nan 0.000 0.489 474 S N 0.194 115.901 115.700 0.012 0.000 2.329 474 S HA -0.136 4.334 4.470 0.000 0.000 0.215 474 S C 2.272 176.726 174.600 -0.245 0.000 1.031 474 S CA 1.148 59.281 58.200 -0.111 0.000 0.985 474 S CB -0.614 62.473 63.200 -0.189 0.000 0.917 474 S HN 0.074 nan 8.310 nan 0.000 0.441 475 V N 0.939 120.576 119.914 -0.461 0.000 2.313 475 V HA -0.207 3.913 4.120 0.000 0.000 0.253 475 V C 1.210 176.951 176.094 -0.589 0.000 1.070 475 V CA 1.701 63.591 62.300 -0.683 0.000 1.057 475 V CB -0.750 30.612 31.823 -0.768 0.000 0.653 475 V HN 0.450 nan 8.190 nan 0.000 0.450 476 F N 0.420 120.206 119.950 -0.274 0.000 2.916 476 F HA 0.502 5.029 4.527 0.000 0.000 0.294 476 F C 1.574 177.322 175.800 -0.086 0.000 1.189 476 F CA -0.001 57.880 58.000 -0.198 0.000 1.369 476 F CB -0.441 38.403 39.000 -0.261 0.000 0.961 476 F HN 0.170 nan 8.300 nan 0.000 0.508 477 G N 1.051 109.881 108.800 0.049 0.000 2.410 477 G HA2 -0.281 3.679 3.960 0.000 0.000 0.286 477 G HA3 -0.281 3.679 3.960 0.000 0.000 0.286 477 G C 1.347 176.380 174.900 0.222 0.000 0.884 477 G CA 0.506 45.733 45.100 0.212 0.000 1.130 477 G HN 0.637 nan 8.290 nan 0.000 0.492 478 A N 0.856 123.741 122.820 0.107 0.000 1.917 478 A HA 0.007 4.327 4.320 0.000 0.000 0.219 478 A C 0.727 178.244 177.584 -0.112 0.000 1.182 478 A CA 1.993 53.961 52.037 -0.115 0.000 0.633 478 A CB -0.875 17.880 19.000 -0.408 0.000 0.819 478 A HN 0.486 nan 8.150 nan 0.000 0.448 479 P HA -0.150 nan 4.420 nan 0.000 0.221 479 P C 0.490 177.646 177.300 -0.240 0.000 1.141 479 P CA 1.059 64.123 63.100 -0.059 0.000 0.794 479 P CB -0.181 31.302 31.700 -0.363 0.000 0.764 480 F N -3.149 116.827 119.950 0.044 0.000 2.695 480 F HA 0.229 4.756 4.527 -0.000 0.000 0.303 480 F C 1.722 177.552 175.800 0.050 0.000 1.091 480 F CA 0.220 58.258 58.000 0.065 0.000 1.300 480 F CB -0.066 38.985 39.000 0.085 0.000 1.071 480 F HN -0.175 nan 8.300 nan 0.000 0.578 481 L N -1.279 120.028 121.223 0.141 0.000 2.694 481 L HA 0.217 4.557 4.340 0.000 0.000 0.228 481 L C 0.570 177.446 176.870 0.010 0.000 1.048 481 L CA 0.220 55.103 54.840 0.073 0.000 0.887 481 L CB 0.315 42.397 42.059 0.038 0.000 1.265 481 L HN -0.221 nan 8.230 nan 0.000 0.492 482 K N 0.199 120.559 120.400 -0.066 0.000 2.210 482 K HA 0.507 4.827 4.320 0.000 0.000 0.236 482 K C -0.769 175.861 176.600 0.051 0.000 1.016 482 K CA -0.628 55.618 56.287 -0.069 0.000 0.913 482 K CB 1.412 33.744 32.500 -0.281 0.000 1.141 482 K HN -0.139 nan 8.250 nan 0.000 0.462 483 E N -1.160 119.094 120.200 0.089 0.000 2.263 483 E HA 0.436 4.786 4.350 0.000 0.000 0.264 483 E C 0.016 176.681 176.600 0.110 0.000 0.923 483 E CA -0.253 56.203 56.400 0.094 0.000 0.802 483 E CB 1.797 31.527 29.700 0.051 0.000 1.228 483 E HN 0.778 nan 8.360 nan 0.000 0.417 484 G N 0.672 109.500 108.800 0.047 0.000 2.192 484 G HA2 -0.192 3.768 3.960 0.000 0.000 0.193 484 G HA3 -0.192 3.768 3.960 0.000 0.000 0.193 484 G C 0.164 175.015 174.900 -0.082 0.000 0.999 484 G CA -0.253 44.837 45.100 -0.017 0.000 0.659 484 G HN 0.704 nan 8.290 nan 0.000 0.503 485 A N 1.117 123.906 122.820 -0.052 0.000 2.491 485 A HA 0.644 4.964 4.320 0.000 0.000 0.261 485 A C 1.160 178.679 177.584 -0.108 0.000 1.101 485 A CA 1.048 53.012 52.037 -0.122 0.000 0.772 485 A CB 0.083 19.048 19.000 -0.057 0.000 1.043 485 A HN 1.986 nan 8.150 nan 0.000 0.501 486 S N 1.673 117.305 115.700 -0.114 0.000 2.617 486 S HA 0.142 4.612 4.470 0.000 0.000 0.259 486 S C 1.017 175.573 174.600 -0.073 0.000 1.301 486 S CA 0.457 58.611 58.200 -0.076 0.000 0.984 486 S CB 0.661 63.827 63.200 -0.056 0.000 0.954 486 S HN 0.749 nan 8.310 nan 0.000 0.572 487 E N 0.661 120.829 120.200 -0.052 0.000 2.110 487 E HA -0.192 4.158 4.350 0.000 0.000 0.193 487 E C 1.936 178.503 176.600 -0.056 0.000 0.988 487 E CA 1.981 58.352 56.400 -0.049 0.000 0.804 487 E CB -0.504 29.178 29.700 -0.029 0.000 0.745 487 E HN 0.864 nan 8.360 nan 0.000 0.458 488 E N 0.305 120.481 120.200 -0.039 0.000 2.017 488 E HA -0.300 4.050 4.350 0.000 0.000 0.193 488 E C 2.063 178.606 176.600 -0.095 0.000 0.997 488 E CA 1.569 57.948 56.400 -0.036 0.000 0.804 488 E CB -0.343 29.373 29.700 0.026 0.000 0.757 488 E HN 0.272 nan 8.360 nan 0.000 0.448 489 E N 0.721 120.871 120.200 -0.084 0.000 2.086 489 E HA -0.249 4.101 4.350 0.000 0.000 0.205 489 E C 2.040 178.510 176.600 -0.216 0.000 1.027 489 E CA 2.518 58.808 56.400 -0.182 0.000 0.830 489 E CB -0.405 29.222 29.700 -0.121 0.000 0.751 489 E HN 0.513 nan 8.360 nan 0.000 0.456 490 I N 0.048 120.492 120.570 -0.211 0.000 2.099 490 I HA -0.318 3.852 4.170 0.000 0.000 0.239 490 I C 2.883 178.893 176.117 -0.178 0.000 1.066 490 I CA 1.780 62.895 61.300 -0.308 0.000 1.324 490 I CB -0.509 37.312 38.000 -0.298 0.000 1.037 490 I HN 0.135 nan 8.210 nan 0.000 0.401 491 R N 0.868 121.301 120.500 -0.112 0.000 2.096 491 R HA -0.253 4.087 4.340 0.000 0.000 0.240 491 R C 2.404 178.642 176.300 -0.105 0.000 1.139 491 R CA 1.986 58.045 56.100 -0.069 0.000 0.952 491 R CB -0.439 29.825 30.300 -0.061 0.000 0.854 491 R HN 0.260 nan 8.270 nan 0.000 0.436 492 L N 0.441 121.565 121.223 -0.165 0.000 2.012 492 L HA -0.186 4.154 4.340 0.000 0.000 0.210 492 L C 2.330 179.101 176.870 -0.164 0.000 1.073 492 L CA 2.464 57.178 54.840 -0.209 0.000 0.748 492 L CB -1.045 40.784 42.059 -0.383 0.000 0.891 492 L HN 0.204 nan 8.230 nan 0.000 0.431 493 S N -0.803 114.812 115.700 -0.143 0.000 2.359 493 S HA -0.261 4.209 4.470 0.000 0.000 0.224 493 S C 2.077 176.641 174.600 -0.060 0.000 1.035 493 S CA 1.760 59.909 58.200 -0.085 0.000 1.018 493 S CB -0.277 62.907 63.200 -0.026 0.000 0.876 493 S HN 0.579 nan 8.310 nan 0.000 0.448 494 K N 0.424 120.823 120.400 -0.001 0.000 2.020 494 K HA -0.169 4.151 4.320 0.000 0.000 0.212 494 K C 2.367 178.914 176.600 -0.088 0.000 1.050 494 K CA 1.862 58.146 56.287 -0.004 0.000 0.929 494 K CB -0.391 32.149 32.500 0.067 0.000 0.714 494 K HN 0.472 nan 8.250 nan 0.000 0.443 495 M N 1.038 120.550 119.600 -0.146 0.000 2.080 495 M HA -0.209 4.271 4.480 0.000 0.000 0.260 495 M C 2.038 178.128 176.300 -0.350 0.000 1.068 495 M CA 1.719 56.840 55.300 -0.298 0.000 1.109 495 M CB -0.046 32.376 32.600 -0.296 0.000 1.342 495 M HN -0.026 nan 8.290 nan 0.000 0.405 496 V N 0.759 120.554 119.914 -0.198 0.000 2.261 496 V HA -0.326 3.794 4.120 0.000 0.000 0.246 496 V C 2.446 178.504 176.094 -0.059 0.000 1.047 496 V CA 2.102 64.332 62.300 -0.117 0.000 1.015 496 V CB -0.761 30.882 31.823 -0.299 0.000 0.642 496 V HN 0.555 nan 8.190 nan 0.000 0.446 497 M N -0.658 118.856 119.600 -0.143 0.000 2.073 497 M HA -0.224 4.256 4.480 0.000 0.000 0.258 497 M C 2.445 178.793 176.300 0.080 0.000 1.070 497 M CA 1.883 57.134 55.300 -0.083 0.000 1.103 497 M CB -0.614 31.916 32.600 -0.115 0.000 1.321 497 M HN 0.201 nan 8.290 nan 0.000 0.405 498 K N 0.204 120.627 120.400 0.037 0.000 2.034 498 K HA -0.155 4.165 4.320 0.000 0.000 0.214 498 K C 1.837 178.596 176.600 0.266 0.000 1.051 498 K CA 1.803 58.142 56.287 0.087 0.000 0.931 498 K CB -0.785 31.703 32.500 -0.020 0.000 0.715 498 K HN 0.390 nan 8.250 nan 0.000 0.446 499 F N -0.337 119.751 119.950 0.230 0.000 2.046 499 F HA -0.293 4.234 4.527 -0.000 0.000 0.297 499 F C 2.652 178.605 175.800 0.255 0.000 1.123 499 F CA 0.601 58.769 58.000 0.280 0.000 1.199 499 F CB -0.391 38.900 39.000 0.484 0.000 0.972 499 F HN 0.249 nan 8.300 nan 0.000 0.474 500 W N 0.548 121.967 121.300 0.200 0.000 2.290 500 W HA -0.370 4.290 4.660 -0.000 0.000 0.323 500 W C 2.663 179.189 176.519 0.011 0.000 1.260 500 W CA 1.415 58.781 57.345 0.035 0.000 1.266 500 W CB -0.788 28.619 29.460 -0.089 0.000 1.149 500 W HN 0.079 nan 8.180 nan 0.000 0.482 501 A N 0.320 123.271 122.820 0.219 0.000 1.877 501 A HA -0.267 4.053 4.320 0.000 0.000 0.216 501 A C 1.636 179.263 177.584 0.071 0.000 1.186 501 A CA 2.234 54.327 52.037 0.092 0.000 0.620 501 A CB -1.307 17.742 19.000 0.082 0.000 0.822 501 A HN 0.360 nan 8.150 nan 0.000 0.443 502 N N -1.143 117.633 118.700 0.126 0.000 2.091 502 N HA -0.198 4.542 4.740 0.000 0.000 0.193 502 N C 1.312 176.825 175.510 0.005 0.000 1.021 502 N CA 1.871 54.974 53.050 0.089 0.000 0.862 502 N CB -0.468 38.125 38.487 0.176 0.000 1.018 502 N HN 0.536 nan 8.380 nan 0.000 0.429 503 F N 0.805 120.648 119.950 -0.180 0.000 2.206 503 F HA 0.079 4.606 4.527 0.000 0.000 0.298 503 F C 2.076 177.755 175.800 -0.202 0.000 1.090 503 F CA 1.050 58.866 58.000 -0.307 0.000 1.323 503 F CB -0.477 38.218 39.000 -0.508 0.000 1.028 503 F HN 0.034 nan 8.300 nan 0.000 0.492 504 A N 0.173 122.893 122.820 -0.167 0.000 2.015 504 A HA -0.122 4.198 4.320 0.000 0.000 0.219 504 A C 2.337 179.813 177.584 -0.179 0.000 1.163 504 A CA 1.431 53.351 52.037 -0.195 0.000 0.646 504 A CB -0.568 18.375 19.000 -0.096 0.000 0.806 504 A HN 0.442 nan 8.150 nan 0.000 0.448 505 R N -1.051 119.366 120.500 -0.138 0.000 2.112 505 R HA 0.084 4.424 4.340 0.000 0.000 0.216 505 R C 0.482 176.701 176.300 -0.135 0.000 1.080 505 R CA 1.110 57.149 56.100 -0.102 0.000 0.996 505 R CB 0.083 30.355 30.300 -0.045 0.000 0.902 505 R HN 0.501 nan 8.270 nan 0.000 0.449 506 N N -1.047 117.547 118.700 -0.175 0.000 2.143 506 N HA 0.064 4.804 4.740 0.000 0.000 0.229 506 N C 0.085 175.446 175.510 -0.249 0.000 1.294 506 N CA 0.613 53.566 53.050 -0.163 0.000 0.883 506 N CB 1.977 40.414 38.487 -0.084 0.000 1.148 506 N HN 0.234 nan 8.380 nan 0.000 0.511 507 G N 2.315 110.805 108.800 -0.518 0.000 2.341 507 G HA2 -0.280 3.680 3.960 0.000 0.000 0.292 507 G HA3 -0.280 3.680 3.960 0.000 0.000 0.292 507 G C -0.174 174.579 174.900 -0.245 0.000 1.021 507 G CA 0.482 45.126 45.100 -0.761 0.000 0.905 507 G HN 0.453 nan 8.290 nan 0.000 0.508 508 N N -0.697 117.886 118.700 -0.195 0.000 2.616 508 N HA 0.260 5.000 4.740 0.000 0.000 0.281 508 N C -1.400 173.969 175.510 -0.234 0.000 1.145 508 N CA -1.017 51.934 53.050 -0.166 0.000 0.919 508 N CB 1.916 40.392 38.487 -0.019 0.000 1.509 508 N HN -0.034 nan 8.380 nan 0.000 0.537 509 P HA -0.108 nan 4.420 nan 0.000 0.216 509 P C -0.009 177.213 177.300 -0.130 0.000 1.153 509 P CA 0.707 63.547 63.100 -0.434 0.000 0.848 509 P CB 0.177 31.228 31.700 -1.082 0.000 0.787 510 N N 0.911 119.522 118.700 -0.148 0.000 2.232 510 N HA 0.099 4.839 4.740 0.000 0.000 0.251 510 N C 0.811 176.432 175.510 0.185 0.000 1.242 510 N CA 1.500 54.602 53.050 0.087 0.000 0.837 510 N CB 0.121 38.667 38.487 0.097 0.000 1.079 510 N HN 0.239 nan 8.380 nan 0.000 0.461 511 G N 0.554 109.521 108.800 0.279 0.000 2.623 511 G HA2 0.164 4.124 3.960 0.000 0.000 0.290 511 G HA3 0.164 4.124 3.960 0.000 0.000 0.290 511 G C -1.294 173.725 174.900 0.198 0.000 1.437 511 G CA -0.655 44.574 45.100 0.216 0.000 0.798 511 G HN 0.484 nan 8.290 nan 0.000 0.488 512 E N -0.333 119.950 120.200 0.138 0.000 2.417 512 E HA 0.400 4.750 4.350 0.000 0.000 0.261 512 E C 1.160 177.821 176.600 0.101 0.000 1.000 512 E CA 1.279 57.745 56.400 0.111 0.000 0.919 512 E CB 0.250 29.998 29.700 0.080 0.000 0.955 512 E HN 1.708 nan 8.360 nan 0.000 0.455 513 G N 4.048 112.907 108.800 0.097 0.000 2.212 513 G HA2 -0.236 3.724 3.960 0.000 0.000 0.255 513 G HA3 -0.236 3.724 3.960 0.000 0.000 0.255 513 G C -0.322 174.621 174.900 0.071 0.000 1.062 513 G CA 0.140 45.284 45.100 0.073 0.000 0.815 513 G HN 0.433 nan 8.290 nan 0.000 0.497 514 L N -0.893 120.414 121.223 0.140 0.000 2.482 514 L HA 0.428 4.768 4.340 0.000 0.000 0.263 514 L C -2.282 174.783 176.870 0.325 0.000 0.957 514 L CA -2.273 52.672 54.840 0.174 0.000 0.836 514 L CB 2.401 44.612 42.059 0.254 0.000 1.324 514 L HN -0.112 nan 8.230 nan 0.000 0.406 515 P HA -0.064 nan 4.420 nan 0.000 0.264 515 P C -0.765 176.774 177.300 0.398 0.000 1.179 515 P CA 0.076 63.363 63.100 0.312 0.000 0.763 515 P CB 0.203 32.050 31.700 0.246 0.000 0.806 516 H N 2.671 121.867 119.070 0.210 0.000 2.886 516 H HA 0.098 4.654 4.556 0.000 0.000 0.329 516 H C -0.868 174.594 175.328 0.223 0.000 1.044 516 H CA 0.236 56.407 56.048 0.204 0.000 1.456 516 H CB 0.196 30.046 29.762 0.146 0.000 1.464 516 H HN 0.385 nan 8.280 nan 0.000 0.573 517 W N 9.795 130.773 121.300 -0.538 0.000 2.278 517 W HA 0.295 4.955 4.660 -0.000 0.000 0.317 517 W C -2.734 173.529 176.519 -0.427 0.000 1.030 517 W CA -3.287 53.829 57.345 -0.382 0.000 1.334 517 W CB 0.791 29.996 29.460 -0.425 0.000 1.215 517 W HN 0.583 nan 8.180 nan 0.000 0.405 518 P HA -0.065 nan 4.420 nan 0.000 0.265 518 P C -0.139 177.265 177.300 0.174 0.000 1.193 518 P CA 0.466 63.673 63.100 0.178 0.000 0.765 518 P CB 0.895 32.724 31.700 0.214 0.000 0.823 519 E N 3.239 123.427 120.200 -0.021 0.000 2.265 519 E HA -0.061 4.289 4.350 0.000 0.000 0.272 519 E C -0.703 175.781 176.600 -0.194 0.000 1.067 519 E CA -0.521 55.635 56.400 -0.407 0.000 0.900 519 E CB -0.010 29.515 29.700 -0.290 0.000 1.017 519 E HN 0.369 nan 8.360 nan 0.000 0.431 520 Y N 6.884 126.990 120.300 -0.323 0.000 2.781 520 Y HA -0.109 4.441 4.550 -0.000 0.000 0.365 520 Y C -0.168 175.679 175.900 -0.088 0.000 1.291 520 Y CA 0.310 58.357 58.100 -0.087 0.000 1.772 520 Y CB -0.468 37.974 38.460 -0.030 0.000 1.361 520 Y HN 0.512 nan 8.280 nan 0.000 0.484 521 N N 1.384 119.917 118.700 -0.279 0.000 3.178 521 N HA 0.159 4.899 4.740 0.000 0.000 0.352 521 N C 0.581 175.901 175.510 -0.316 0.000 1.423 521 N CA -0.479 52.433 53.050 -0.230 0.000 0.698 521 N CB 0.138 38.553 38.487 -0.119 0.000 1.400 521 N HN 0.267 nan 8.380 nan 0.000 0.586 522 Q N -0.623 119.071 119.800 -0.176 0.000 2.308 522 Q HA -0.088 4.252 4.340 0.000 0.000 0.209 522 Q C 0.774 176.684 176.000 -0.150 0.000 0.985 522 Q CA 1.386 57.101 55.803 -0.146 0.000 0.881 522 Q CB -0.392 28.300 28.738 -0.076 0.000 0.917 522 Q HN 0.504 nan 8.270 nan 0.000 0.443 523 K N 0.872 121.187 120.400 -0.141 0.000 2.487 523 K HA -0.000 4.320 4.320 0.000 0.000 0.192 523 K C -0.444 176.086 176.600 -0.117 0.000 1.027 523 K CA 0.031 56.264 56.287 -0.090 0.000 1.054 523 K CB 0.153 32.628 32.500 -0.042 0.000 0.824 523 K HN 0.179 nan 8.250 nan 0.000 0.510 524 E N -0.373 119.631 120.200 -0.326 0.000 2.210 524 E HA -0.195 4.155 4.350 0.000 0.000 0.201 524 E C -0.178 176.449 176.600 0.045 0.000 1.339 524 E CA 0.403 56.514 56.400 -0.481 0.000 0.699 524 E CB -1.602 28.019 29.700 -0.131 0.000 1.126 524 E HN 0.437 nan 8.360 nan 0.000 0.355 525 G N 1.397 110.232 108.800 0.058 0.000 2.349 525 G HA2 0.398 4.358 3.960 0.000 0.000 0.281 525 G HA3 0.398 4.358 3.960 0.000 0.000 0.281 525 G C -0.380 174.814 174.900 0.491 0.000 1.182 525 G CA -0.211 45.022 45.100 0.223 0.000 0.899 525 G HN 0.315 nan 8.290 nan 0.000 0.455 526 Y N 1.308 121.780 120.300 0.286 0.000 2.576 526 Y HA 0.760 5.310 4.550 0.000 0.000 0.346 526 Y C -1.295 174.613 175.900 0.013 0.000 1.018 526 Y CA -2.130 56.131 58.100 0.269 0.000 1.050 526 Y CB 1.886 40.477 38.460 0.218 0.000 1.280 526 Y HN 0.471 nan 8.280 nan 0.000 0.474 527 L N 2.881 124.013 121.223 -0.151 0.000 2.307 527 L HA 0.469 4.809 4.340 0.000 0.000 0.284 527 L C -0.826 175.947 176.870 -0.161 0.000 1.023 527 L CA -0.549 53.951 54.840 -0.566 0.000 0.810 527 L CB 1.775 42.849 42.059 -1.642 0.000 1.231 527 L HN 0.810 nan 8.230 nan 0.000 0.423 528 Q N 5.688 125.414 119.800 -0.124 0.000 2.314 528 Q HA 0.473 4.813 4.340 0.000 0.000 0.257 528 Q C -0.982 174.987 176.000 -0.052 0.000 0.975 528 Q CA -0.055 55.772 55.803 0.040 0.000 0.933 528 Q CB 1.465 30.218 28.738 0.025 0.000 1.195 528 Q HN 0.599 nan 8.270 nan 0.000 0.426 529 I N 1.494 122.045 120.570 -0.031 0.000 2.460 529 I HA 0.724 4.894 4.170 0.000 0.000 0.298 529 I C 0.664 176.578 176.117 -0.338 0.000 0.989 529 I CA -0.391 60.830 61.300 -0.132 0.000 1.173 529 I CB 1.802 39.780 38.000 -0.036 0.000 1.338 529 I HN 0.797 nan 8.210 nan 0.000 0.456 530 G N 2.823 111.419 108.800 -0.341 0.000 2.455 530 G HA2 0.352 4.312 3.960 0.000 0.000 0.223 530 G HA3 0.352 4.312 3.960 0.000 0.000 0.223 530 G C 0.158 174.979 174.900 -0.132 0.000 1.226 530 G CA 0.092 44.983 45.100 -0.349 0.000 0.948 530 G HN 0.664 nan 8.290 nan 0.000 0.478 531 A N 0.610 123.445 122.820 0.025 0.000 1.862 531 A HA 0.048 4.368 4.320 0.000 0.000 0.214 531 A C 1.192 178.769 177.584 -0.013 0.000 1.228 531 A CA 2.105 54.181 52.037 0.064 0.000 0.665 531 A CB -1.270 17.762 19.000 0.053 0.000 0.845 531 A HN 1.328 nan 8.150 nan 0.000 0.459 532 N N 0.643 119.334 118.700 -0.016 0.000 2.420 532 N HA 0.201 4.941 4.740 0.000 0.000 0.249 532 N C -1.308 174.183 175.510 -0.032 0.000 1.033 532 N CA -0.011 53.026 53.050 -0.021 0.000 0.944 532 N CB 0.665 39.145 38.487 -0.011 0.000 1.113 532 N HN 0.194 nan 8.380 nan 0.000 0.502 533 T N 3.370 117.903 114.554 -0.034 0.000 2.737 533 T HA 0.113 4.463 4.350 0.000 0.000 0.296 533 T C 0.377 175.070 174.700 -0.013 0.000 0.922 533 T CA -0.376 61.705 62.100 -0.032 0.000 1.079 533 T CB 0.521 69.381 68.868 -0.014 0.000 0.892 533 T HN 0.617 nan 8.240 nan 0.000 0.514 534 Q N 2.075 121.851 119.800 -0.040 0.000 2.553 534 Q HA 0.764 5.104 4.340 0.000 0.000 0.293 534 Q C -1.527 174.408 176.000 -0.108 0.000 1.038 534 Q CA -1.188 54.590 55.803 -0.041 0.000 0.777 534 Q CB 1.913 30.633 28.738 -0.031 0.000 1.487 534 Q HN 0.532 nan 8.270 nan 0.000 0.426 535 A N 0.284 123.039 122.820 -0.110 0.000 2.256 535 A HA 0.980 5.300 4.320 0.000 0.000 0.318 535 A C -0.625 176.793 177.584 -0.277 0.000 1.103 535 A CA 0.226 52.141 52.037 -0.203 0.000 0.860 535 A CB 0.968 19.916 19.000 -0.087 0.000 1.182 535 A HN 1.239 nan 8.150 nan 0.000 0.501 536 A N -0.661 121.866 122.820 -0.489 0.000 2.493 536 A HA 0.705 5.025 4.320 0.000 0.000 0.300 536 A C -1.231 176.067 177.584 -0.477 0.000 1.152 536 A CA -0.558 51.182 52.037 -0.493 0.000 0.643 536 A CB 0.758 19.402 19.000 -0.592 0.000 1.316 536 A HN 0.828 nan 8.150 nan 0.000 0.469 537 Q N -0.118 119.588 119.800 -0.156 0.000 2.495 537 Q HA 0.595 4.935 4.340 0.000 0.000 0.287 537 Q C -1.401 174.784 176.000 0.310 0.000 1.078 537 Q CA -1.094 54.772 55.803 0.105 0.000 0.793 537 Q CB 2.000 30.771 28.738 0.055 0.000 1.459 537 Q HN 0.636 nan 8.270 nan 0.000 0.422 538 K N 0.921 121.499 120.400 0.298 0.000 3.619 538 K HA -0.206 4.114 4.320 0.000 0.000 0.275 538 K C -0.767 175.998 176.600 0.274 0.000 0.993 538 K CA -0.046 56.383 56.287 0.237 0.000 0.787 538 K CB -1.338 31.251 32.500 0.148 0.000 1.431 538 K HN 0.399 nan 8.250 nan 0.000 0.451 539 L N 1.973 123.355 121.223 0.265 0.000 2.416 539 L HA 0.077 4.417 4.340 0.000 0.000 0.272 539 L C 0.589 177.446 176.870 -0.023 0.000 1.161 539 L CA 0.400 55.172 54.840 -0.113 0.000 0.845 539 L CB 0.439 42.085 42.059 -0.689 0.000 1.119 539 L HN 0.297 nan 8.230 nan 0.000 0.464 540 K N 3.087 123.473 120.400 -0.022 0.000 3.100 540 K HA -0.289 4.031 4.320 0.000 0.000 0.261 540 K C 0.635 177.292 176.600 0.094 0.000 0.920 540 K CA 1.134 57.450 56.287 0.048 0.000 0.683 540 K CB -1.067 31.453 32.500 0.033 0.000 1.349 540 K HN 0.900 nan 8.250 nan 0.000 0.473 541 D N 0.770 121.230 120.400 0.101 0.000 2.091 541 D HA -0.049 4.591 4.640 0.000 0.000 0.199 541 D C 1.610 177.979 176.300 0.115 0.000 0.980 541 D CA 1.310 55.376 54.000 0.110 0.000 0.831 541 D CB 0.267 41.130 40.800 0.104 0.000 0.987 541 D HN 0.370 nan 8.370 nan 0.000 0.460 542 K N -0.075 120.385 120.400 0.100 0.000 2.032 542 K HA -0.162 4.158 4.320 0.000 0.000 0.209 542 K C 2.138 178.833 176.600 0.158 0.000 1.048 542 K CA 1.335 57.680 56.287 0.096 0.000 0.927 542 K CB -0.051 32.474 32.500 0.043 0.000 0.712 542 K HN 0.088 nan 8.250 nan 0.000 0.441 543 E N 0.479 120.794 120.200 0.191 0.000 2.033 543 E HA -0.192 4.158 4.350 0.000 0.000 0.199 543 E C 2.004 178.875 176.600 0.451 0.000 1.011 543 E CA 1.370 57.983 56.400 0.356 0.000 0.815 543 E CB -0.482 29.446 29.700 0.380 0.000 0.755 543 E HN 0.011 nan 8.360 nan 0.000 0.451 544 V N 1.068 121.166 119.914 0.307 0.000 2.332 544 V HA -0.324 3.796 4.120 0.000 0.000 0.248 544 V C 2.181 178.411 176.094 0.228 0.000 1.055 544 V CA 1.896 64.349 62.300 0.254 0.000 1.038 544 V CB -1.026 30.889 31.823 0.154 0.000 0.651 544 V HN 0.377 nan 8.190 nan 0.000 0.450 545 A N 0.106 123.040 122.820 0.190 0.000 1.841 545 A HA -0.267 4.053 4.320 0.000 0.000 0.216 545 A C 2.127 179.809 177.584 0.163 0.000 1.199 545 A CA 2.188 54.316 52.037 0.152 0.000 0.621 545 A CB -0.901 18.176 19.000 0.128 0.000 0.835 545 A HN 0.521 nan 8.150 nan 0.000 0.445 546 F N -0.640 119.333 119.950 0.038 0.000 2.087 546 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 546 F C 2.011 177.791 175.800 -0.033 0.000 1.100 546 F CA 1.838 59.803 58.000 -0.059 0.000 1.226 546 F CB -0.790 38.094 39.000 -0.193 0.000 0.983 546 F HN 0.415 nan 8.300 nan 0.000 0.479 547 W N 0.577 121.766 121.300 -0.184 0.000 2.355 547 W HA -0.177 4.483 4.660 -0.000 0.000 0.309 547 W C 2.672 179.161 176.519 -0.050 0.000 1.206 547 W CA 1.926 59.151 57.345 -0.200 0.000 1.284 547 W CB -1.114 28.380 29.460 0.057 0.000 1.145 547 W HN -0.149 nan 8.180 nan 0.000 0.502 548 T N 0.706 115.386 114.554 0.210 0.000 2.760 548 T HA -0.259 4.091 4.350 0.000 0.000 0.269 548 T C 1.255 176.012 174.700 0.094 0.000 1.047 548 T CA 1.840 64.024 62.100 0.141 0.000 1.139 548 T CB -0.493 68.432 68.868 0.094 0.000 0.855 548 T HN 0.115 nan 8.240 nan 0.000 0.471 549 N N 1.003 119.704 118.700 0.003 0.000 2.080 549 N HA 0.006 4.746 4.740 0.000 0.000 0.189 549 N C 1.625 177.079 175.510 -0.094 0.000 1.036 549 N CA 0.574 53.597 53.050 -0.044 0.000 0.846 549 N CB -0.793 37.660 38.487 -0.057 0.000 1.015 549 N HN 0.182 nan 8.380 nan 0.000 0.423 550 L N -0.236 120.825 121.223 -0.270 0.000 2.079 550 L HA 0.001 4.341 4.340 0.000 0.000 0.210 550 L C 1.042 177.801 176.870 -0.186 0.000 1.081 550 L CA 1.480 56.140 54.840 -0.299 0.000 0.752 550 L CB -0.533 41.186 42.059 -0.568 0.000 0.896 550 L HN 0.094 nan 8.230 nan 0.000 0.433 551 F N -0.764 119.166 119.950 -0.033 0.000 2.725 551 F HA 0.160 4.687 4.527 0.000 0.000 0.303 551 F C 1.938 177.734 175.800 -0.007 0.000 1.167 551 F CA 0.475 58.478 58.000 0.005 0.000 1.403 551 F CB -0.551 38.462 39.000 0.021 0.000 1.077 551 F HN 0.141 nan 8.300 nan 0.000 0.537 552 A N -0.610 122.262 122.820 0.087 0.000 2.275 552 A HA 0.129 4.449 4.320 0.000 0.000 0.212 552 A C 1.158 178.760 177.584 0.031 0.000 1.201 552 A CA 0.132 52.204 52.037 0.059 0.000 0.843 552 A CB -0.074 18.946 19.000 0.033 0.000 0.873 552 A HN 0.226 nan 8.150 nan 0.000 0.492 553 K N 0.000 120.404 120.400 0.007 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 553 K CB 0.000 32.510 32.500 0.016 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543