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 1oi8_1_B DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVcESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVcK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQE 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.044 175.900 0.240 0.000 1.272 26 Y CA 0.000 58.213 58.100 0.189 0.000 1.940 26 Y CB 0.000 38.631 38.460 0.286 0.000 1.050 27 E N 1.330 121.892 120.200 0.604 0.000 2.259 27 E HA 0.236 4.587 4.350 0.001 0.000 0.281 27 E C -0.815 176.038 176.600 0.422 0.000 1.027 27 E CA -0.743 55.877 56.400 0.368 0.000 0.838 27 E CB 1.050 30.884 29.700 0.224 0.000 1.066 27 E HN 0.566 nan 8.360 nan 0.000 0.401 28 Q N 3.115 123.082 119.800 0.279 0.000 2.337 28 Q HA -0.033 4.307 4.340 0.001 0.000 0.270 28 Q C -0.563 175.522 176.000 0.141 0.000 1.002 28 Q CA 0.836 56.780 55.803 0.235 0.000 0.888 28 Q CB 0.478 29.302 28.738 0.143 0.000 1.222 28 Q HN 0.604 nan 8.270 nan 0.000 0.400 29 D N 0.712 121.178 120.400 0.110 0.000 3.006 29 D HA -0.228 4.413 4.640 0.001 0.000 0.208 29 D C -0.632 175.677 176.300 0.015 0.000 1.116 29 D CA 1.369 55.396 54.000 0.045 0.000 0.998 29 D CB -0.723 40.096 40.800 0.031 0.000 1.124 29 D HN 0.623 nan 8.370 nan 0.000 0.413 30 K N 0.775 121.188 120.400 0.022 0.000 2.249 30 K HA 0.309 4.630 4.320 0.001 0.000 0.280 30 K C -0.542 175.998 176.600 -0.099 0.000 1.033 30 K CA 0.040 56.268 56.287 -0.098 0.000 0.946 30 K CB 0.762 33.120 32.500 -0.237 0.000 1.005 30 K HN -0.177 nan 8.250 nan 0.000 0.469 31 T N 4.403 118.889 114.554 -0.113 0.000 2.733 31 T HA 0.229 4.580 4.350 0.001 0.000 0.294 31 T C -0.976 173.698 174.700 -0.044 0.000 0.956 31 T CA -0.260 61.833 62.100 -0.011 0.000 0.987 31 T CB -0.062 68.809 68.868 0.006 0.000 0.920 31 T HN 0.315 nan 8.240 nan 0.000 0.470 32 Y N 2.117 122.500 120.300 0.139 0.000 2.308 32 Y HA 0.369 4.920 4.550 0.002 0.000 0.329 32 Y C 1.001 176.968 175.900 0.112 0.000 1.111 32 Y CA -0.812 57.360 58.100 0.121 0.000 1.179 32 Y CB 0.978 39.514 38.460 0.128 0.000 1.201 32 Y HN 0.324 nan 8.280 nan 0.000 0.483 33 K N 4.624 125.155 120.400 0.218 0.000 2.234 33 K HA 0.558 4.879 4.320 0.001 0.000 0.277 33 K C -1.135 175.549 176.600 0.140 0.000 1.038 33 K CA -0.237 56.142 56.287 0.153 0.000 0.888 33 K CB 0.902 33.455 32.500 0.088 0.000 1.091 33 K HN 0.572 nan 8.250 nan 0.000 0.467 34 I N 1.969 122.631 120.570 0.153 0.000 2.499 34 I HA 0.175 4.346 4.170 0.001 0.000 0.288 34 I C -0.452 175.761 176.117 0.160 0.000 1.048 34 I CA -0.592 60.776 61.300 0.113 0.000 1.062 34 I CB 2.386 40.419 38.000 0.053 0.000 1.238 34 I HN 0.418 nan 8.210 nan 0.000 0.426 35 T N 5.524 120.132 114.554 0.089 0.000 2.779 35 T HA 0.474 4.824 4.350 0.001 0.000 0.280 35 T C -0.346 174.392 174.700 0.064 0.000 0.987 35 T CA -0.425 61.723 62.100 0.080 0.000 0.966 35 T CB 1.587 70.464 68.868 0.015 0.000 0.933 35 T HN 0.162 nan 8.240 nan 0.000 0.442 36 V N 5.740 125.729 119.914 0.126 0.000 2.347 36 V HA 0.445 4.566 4.120 0.001 0.000 0.280 36 V C -0.060 176.093 176.094 0.098 0.000 1.021 36 V CA -0.777 61.576 62.300 0.088 0.000 0.847 36 V CB 1.044 32.946 31.823 0.131 0.000 0.990 36 V HN 0.721 nan 8.190 nan 0.000 0.444 37 L N 5.826 127.067 121.223 0.031 0.000 2.334 37 L HA 0.759 5.100 4.340 0.001 0.000 0.275 37 L C -0.210 176.725 176.870 0.108 0.000 1.036 37 L CA -0.525 54.328 54.840 0.022 0.000 0.807 37 L CB 1.526 43.521 42.059 -0.108 0.000 1.231 37 L HN 0.959 nan 8.230 nan 0.000 0.438 38 H N -0.569 118.480 119.070 -0.034 0.000 3.037 38 H HA 0.777 5.334 4.556 0.001 0.000 0.355 38 H C -1.086 174.287 175.328 0.075 0.000 1.263 38 H CA -0.786 55.276 56.048 0.024 0.000 1.129 38 H CB 1.892 31.694 29.762 0.067 0.000 1.861 38 H HN 0.563 nan 8.280 nan 0.000 0.546 39 T N 0.010 114.637 114.554 0.121 0.000 2.778 39 T HA 0.596 4.947 4.350 0.001 0.000 0.293 39 T C -1.157 173.645 174.700 0.170 0.000 1.144 39 T CA -0.831 61.328 62.100 0.099 0.000 1.010 39 T CB 2.035 71.005 68.868 0.171 0.000 1.325 39 T HN 1.193 nan 8.240 nan 0.000 0.515 40 N N -1.008 117.773 118.700 0.135 0.000 3.322 40 N HA 0.209 4.950 4.740 0.001 0.000 0.233 40 N C -1.807 173.766 175.510 0.105 0.000 1.399 40 N CA -0.600 52.530 53.050 0.132 0.000 0.894 40 N CB 0.634 39.201 38.487 0.133 0.000 1.440 40 N HN 0.852 nan 8.380 nan 0.000 0.503 41 D N -0.368 120.085 120.400 0.088 0.000 2.686 41 D HA -0.219 4.422 4.640 0.001 0.000 0.235 41 D C 0.803 177.134 176.300 0.052 0.000 1.160 41 D CA 1.269 55.255 54.000 -0.023 0.000 0.645 41 D CB -1.317 39.526 40.800 0.071 0.000 1.039 41 D HN 0.696 nan 8.370 nan 0.000 0.423 42 H N 0.724 119.777 119.070 -0.028 0.000 2.390 42 H HA -0.173 4.384 4.556 0.001 0.000 0.298 42 H C 0.829 176.299 175.328 0.236 0.000 1.106 42 H CA 2.273 58.354 56.048 0.055 0.000 1.297 42 H CB 0.097 29.832 29.762 -0.046 0.000 1.375 42 H HN 0.449 nan 8.280 nan 0.000 0.509 43 H N -0.828 118.340 119.070 0.164 0.000 2.527 43 H HA -0.166 4.391 4.556 0.001 0.000 0.321 43 H C 1.513 176.790 175.328 -0.084 0.000 1.092 43 H CA 1.308 57.415 56.048 0.098 0.000 1.118 43 H CB -1.670 28.220 29.762 0.213 0.000 1.536 43 H HN 0.815 nan 8.280 nan 0.000 0.407 44 G N -0.163 108.611 108.800 -0.044 0.000 2.159 44 G HA2 -0.340 3.621 3.960 0.001 0.000 0.256 44 G HA3 -0.340 3.621 3.960 0.001 0.000 0.256 44 G C 0.215 174.921 174.900 -0.323 0.000 0.977 44 G CA 0.510 45.547 45.100 -0.105 0.000 0.652 44 G HN 0.701 nan 8.290 nan 0.000 0.531 45 H N 0.271 118.926 119.070 -0.692 0.000 2.794 45 H HA 0.384 4.940 4.556 0.001 0.000 0.256 45 H C 1.686 176.943 175.328 -0.117 0.000 1.637 45 H CA 0.050 55.807 56.048 -0.485 0.000 1.222 45 H CB -0.821 28.618 29.762 -0.539 0.000 1.545 45 H HN 0.560 nan 8.280 nan 0.000 0.518 46 F N -2.088 117.973 119.950 0.184 0.000 2.269 46 F HA -0.050 4.478 4.527 0.001 0.000 0.301 46 F C 0.814 176.823 175.800 0.348 0.000 1.082 46 F CA -0.011 58.186 58.000 0.328 0.000 1.360 46 F CB 0.004 39.140 39.000 0.227 0.000 1.041 46 F HN 0.236 nan 8.300 nan 0.000 0.512 47 W N 4.679 125.683 121.300 -0.493 0.000 2.509 47 W HA 0.343 5.004 4.660 0.001 0.000 0.351 47 W C 0.161 176.624 176.519 -0.094 0.000 1.107 47 W CA -1.486 55.674 57.345 -0.308 0.000 1.264 47 W CB 1.132 30.240 29.460 -0.587 0.000 1.312 47 W HN -0.085 nan 8.180 nan 0.000 0.608 48 R N 2.812 123.010 120.500 -0.504 0.000 2.784 48 R HA 0.026 4.367 4.340 0.001 0.000 0.266 48 R C 0.269 176.455 176.300 -0.190 0.000 1.044 48 R CA -0.183 55.716 56.100 -0.335 0.000 1.151 48 R CB 0.138 30.161 30.300 -0.462 0.000 1.037 48 R HN 0.470 nan 8.270 nan 0.000 0.478 49 N N 0.361 118.877 118.700 -0.307 0.000 2.366 49 N HA -0.097 4.644 4.740 0.001 0.000 0.277 49 N C 0.489 175.860 175.510 -0.230 0.000 1.275 49 N CA -0.047 52.871 53.050 -0.221 0.000 0.964 49 N CB 0.204 38.515 38.487 -0.293 0.000 1.167 49 N HN 0.815 nan 8.380 nan 0.000 0.568 50 E N -1.665 118.336 120.200 -0.332 0.000 2.418 50 E HA -0.168 4.183 4.350 0.001 0.000 0.197 50 E C 0.138 176.502 176.600 -0.393 0.000 1.026 50 E CA 0.999 57.165 56.400 -0.390 0.000 0.862 50 E CB -0.506 28.872 29.700 -0.538 0.000 0.799 50 E HN 0.624 nan 8.360 nan 0.000 0.518 51 Y N 0.239 120.482 120.300 -0.095 0.000 2.485 51 Y HA 0.376 4.927 4.550 0.001 0.000 0.260 51 Y C 1.572 177.395 175.900 -0.128 0.000 1.173 51 Y CA -0.183 57.861 58.100 -0.094 0.000 1.252 51 Y CB 0.880 39.289 38.460 -0.085 0.000 1.123 51 Y HN 0.208 nan 8.280 nan 0.000 0.524 52 G N 0.199 108.952 108.800 -0.077 0.000 2.141 52 G HA2 -0.253 3.708 3.960 0.001 0.000 0.242 52 G HA3 -0.253 3.708 3.960 0.001 0.000 0.242 52 G C 0.001 174.794 174.900 -0.180 0.000 0.982 52 G CA -0.093 44.933 45.100 -0.123 0.000 0.662 52 G HN 0.402 nan 8.290 nan 0.000 0.527 53 E N -0.159 119.869 120.200 -0.287 0.000 2.319 53 E HA 0.528 4.879 4.350 0.001 0.000 0.268 53 E C 1.135 177.374 176.600 -0.603 0.000 1.050 53 E CA -0.502 55.661 56.400 -0.396 0.000 0.878 53 E CB 0.723 30.142 29.700 -0.469 0.000 1.066 53 E HN 0.959 nan 8.360 nan 0.000 0.406 54 Y N 0.240 120.527 120.300 -0.023 0.000 2.551 54 Y HA -0.360 4.190 4.550 0.001 0.000 0.401 54 Y C 0.581 176.454 175.900 -0.046 0.000 1.055 54 Y CA 0.526 58.612 58.100 -0.023 0.000 2.199 54 Y CB -1.982 36.479 38.460 0.003 0.000 1.075 54 Y HN 1.040 nan 8.280 nan 0.000 0.690 55 G N -1.122 107.882 108.800 0.339 0.000 2.705 55 G HA2 -0.026 3.935 3.960 0.001 0.000 0.686 55 G HA3 -0.026 3.935 3.960 0.001 0.000 0.686 55 G C -0.134 174.858 174.900 0.154 0.000 1.285 55 G CA -0.334 44.861 45.100 0.158 0.000 0.800 55 G HN 1.277 nan 8.290 nan 0.000 0.611 56 L N 0.963 122.302 121.223 0.193 0.000 2.275 56 L HA 0.025 4.366 4.340 0.001 0.000 0.215 56 L C 3.179 180.100 176.870 0.086 0.000 1.119 56 L CA 1.824 56.758 54.840 0.158 0.000 0.790 56 L CB -0.626 41.544 42.059 0.185 0.000 0.919 56 L HN 0.893 nan 8.230 nan 0.000 0.443 57 A N 0.219 123.058 122.820 0.032 0.000 1.898 57 A HA -0.095 4.226 4.320 0.001 0.000 0.216 57 A C 2.531 180.108 177.584 -0.013 0.000 1.181 57 A CA 1.574 53.608 52.037 -0.006 0.000 0.620 57 A CB -0.491 18.460 19.000 -0.082 0.000 0.819 57 A HN 0.368 nan 8.150 nan 0.000 0.442 58 A N -1.054 121.751 122.820 -0.024 0.000 1.929 58 A HA -0.134 4.187 4.320 0.001 0.000 0.216 58 A C 2.147 179.738 177.584 0.011 0.000 1.176 58 A CA 1.542 53.570 52.037 -0.014 0.000 0.628 58 A CB -0.517 18.469 19.000 -0.022 0.000 0.816 58 A HN 0.621 nan 8.150 nan 0.000 0.444 59 Q N -0.247 119.575 119.800 0.037 0.000 2.096 59 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 59 Q C 2.080 178.091 176.000 0.019 0.000 0.982 59 Q CA 2.156 57.984 55.803 0.041 0.000 0.850 59 Q CB -0.096 28.691 28.738 0.082 0.000 0.901 59 Q HN 0.557 nan 8.270 nan 0.000 0.422 60 K N -0.270 120.147 120.400 0.027 0.000 2.025 60 K HA -0.087 4.234 4.320 0.001 0.000 0.207 60 K C 1.854 178.455 176.600 0.002 0.000 1.049 60 K CA 2.192 58.490 56.287 0.017 0.000 0.933 60 K CB -0.678 31.843 32.500 0.035 0.000 0.714 60 K HN 0.124 nan 8.250 nan 0.000 0.438 61 T N 1.813 116.368 114.554 0.002 0.000 2.635 61 T HA -0.191 4.160 4.350 0.001 0.000 0.267 61 T C 1.618 176.311 174.700 -0.012 0.000 1.040 61 T CA 1.683 63.780 62.100 -0.005 0.000 1.156 61 T CB -0.468 68.396 68.868 -0.007 0.000 0.863 61 T HN 0.252 nan 8.240 nan 0.000 0.430 62 L N 1.264 122.480 121.223 -0.013 0.000 1.994 62 L HA -0.044 4.297 4.340 0.001 0.000 0.208 62 L C 2.472 179.322 176.870 -0.034 0.000 1.071 62 L CA 1.609 56.436 54.840 -0.020 0.000 0.745 62 L CB -0.856 41.193 42.059 -0.017 0.000 0.892 62 L HN 0.106 nan 8.230 nan 0.000 0.431 63 V N -0.035 119.854 119.914 -0.042 0.000 2.407 63 V HA -0.265 3.856 4.120 0.001 0.000 0.248 63 V C 2.302 178.364 176.094 -0.052 0.000 1.055 63 V CA 1.831 64.092 62.300 -0.066 0.000 1.049 63 V CB -0.861 30.902 31.823 -0.099 0.000 0.662 63 V HN 0.452 nan 8.190 nan 0.000 0.455 64 D N 0.801 121.180 120.400 -0.034 0.000 2.104 64 D HA -0.124 4.517 4.640 0.001 0.000 0.194 64 D C 2.236 178.523 176.300 -0.022 0.000 0.994 64 D CA 1.680 55.666 54.000 -0.024 0.000 0.830 64 D CB -0.667 40.126 40.800 -0.011 0.000 0.959 64 D HN 0.449 nan 8.370 nan 0.000 0.452 65 G N 0.484 109.271 108.800 -0.022 0.000 2.422 65 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 65 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 65 G C 1.789 176.673 174.900 -0.026 0.000 1.146 65 G CA 0.402 45.489 45.100 -0.021 0.000 0.769 65 G HN 0.282 nan 8.290 nan 0.000 0.547 66 I N -0.014 120.535 120.570 -0.036 0.000 2.252 66 I HA -0.099 4.072 4.170 0.001 0.000 0.245 66 I C 3.013 179.108 176.117 -0.037 0.000 1.102 66 I CA 0.752 62.026 61.300 -0.042 0.000 1.385 66 I CB -0.164 37.802 38.000 -0.057 0.000 1.064 66 I HN 0.067 nan 8.210 nan 0.000 0.414 67 R N 0.774 121.251 120.500 -0.038 0.000 2.096 67 R HA -0.206 4.135 4.340 0.001 0.000 0.235 67 R C 2.337 178.626 176.300 -0.018 0.000 1.127 67 R CA 1.380 57.461 56.100 -0.031 0.000 0.968 67 R CB -0.330 29.951 30.300 -0.032 0.000 0.861 67 R HN 0.332 nan 8.270 nan 0.000 0.440 68 K N 1.446 121.836 120.400 -0.016 0.000 2.025 68 K HA -0.211 4.110 4.320 0.001 0.000 0.207 68 K C 2.044 178.638 176.600 -0.010 0.000 1.049 68 K CA 1.678 57.959 56.287 -0.010 0.000 0.933 68 K CB -0.029 32.466 32.500 -0.008 0.000 0.714 68 K HN 0.152 nan 8.250 nan 0.000 0.438 69 E N 0.368 120.560 120.200 -0.014 0.000 2.097 69 E HA -0.190 4.160 4.350 0.001 0.000 0.196 69 E C 1.743 178.336 176.600 -0.012 0.000 1.000 69 E CA 1.706 58.097 56.400 -0.015 0.000 0.804 69 E CB 0.085 29.772 29.700 -0.021 0.000 0.740 69 E HN 0.204 nan 8.360 nan 0.000 0.454 70 V N 0.848 120.754 119.914 -0.013 0.000 2.535 70 V HA -0.080 4.040 4.120 0.001 0.000 0.246 70 V C 2.457 178.552 176.094 0.002 0.000 1.045 70 V CA 1.340 63.636 62.300 -0.006 0.000 1.058 70 V CB -0.448 31.369 31.823 -0.010 0.000 0.689 70 V HN 0.448 nan 8.190 nan 0.000 0.461 71 A N 0.345 123.165 122.820 0.001 0.000 1.940 71 A HA -0.129 4.192 4.320 0.001 0.000 0.219 71 A C 2.360 179.948 177.584 0.007 0.000 1.176 71 A CA 2.129 54.170 52.037 0.007 0.000 0.631 71 A CB -0.623 18.380 19.000 0.005 0.000 0.814 71 A HN 0.559 nan 8.150 nan 0.000 0.446 72 A N -0.603 122.219 122.820 0.003 0.000 1.968 72 A HA -0.054 4.267 4.320 0.001 0.000 0.217 72 A C 1.824 179.410 177.584 0.003 0.000 1.169 72 A CA 1.245 53.284 52.037 0.003 0.000 0.638 72 A CB -0.333 18.667 19.000 -0.000 0.000 0.812 72 A HN 0.588 nan 8.150 nan 0.000 0.446 73 E N -1.347 118.854 120.200 0.003 0.000 2.482 73 E HA 0.149 4.500 4.350 0.001 0.000 0.196 73 E C 1.165 177.771 176.600 0.011 0.000 1.047 73 E CA 0.364 56.767 56.400 0.005 0.000 0.869 73 E CB -0.114 29.588 29.700 0.003 0.000 0.836 73 E HN 0.747 nan 8.360 nan 0.000 0.520 74 G N 1.001 109.810 108.800 0.015 0.000 2.157 74 G HA2 -0.246 3.715 3.960 0.001 0.000 0.248 74 G HA3 -0.246 3.715 3.960 0.001 0.000 0.248 74 G C 0.509 175.433 174.900 0.039 0.000 0.979 74 G CA -0.041 45.073 45.100 0.024 0.000 0.650 74 G HN 0.492 nan 8.290 nan 0.000 0.529 75 G N -0.655 108.167 108.800 0.037 0.000 2.535 75 G HA2 0.637 4.598 3.960 0.001 0.000 0.282 75 G HA3 0.637 4.598 3.960 0.001 0.000 0.282 75 G C -0.038 174.886 174.900 0.040 0.000 1.350 75 G CA 0.568 45.698 45.100 0.051 0.000 1.039 75 G HN 0.885 nan 8.290 nan 0.000 0.509 76 S N -1.996 113.726 115.700 0.036 0.000 2.568 76 S HA 0.602 5.073 4.470 0.001 0.000 0.293 76 S C -0.756 173.840 174.600 -0.007 0.000 1.089 76 S CA -0.440 57.768 58.200 0.013 0.000 0.945 76 S CB 2.079 65.282 63.200 0.006 0.000 1.077 76 S HN 0.452 nan 8.310 nan 0.000 0.485 77 V N 3.025 122.920 119.914 -0.031 0.000 2.495 77 V HA 0.521 4.641 4.120 0.001 0.000 0.298 77 V C -0.641 175.391 176.094 -0.103 0.000 1.031 77 V CA -0.610 61.656 62.300 -0.057 0.000 0.871 77 V CB 1.575 33.359 31.823 -0.064 0.000 0.988 77 V HN 0.713 nan 8.190 nan 0.000 0.432 78 L N 5.172 126.317 121.223 -0.131 0.000 2.341 78 L HA 0.607 4.948 4.340 0.001 0.000 0.278 78 L C -1.228 175.521 176.870 -0.202 0.000 1.005 78 L CA -0.807 53.898 54.840 -0.225 0.000 0.818 78 L CB 1.816 43.723 42.059 -0.253 0.000 1.259 78 L HN 0.531 nan 8.230 nan 0.000 0.418 79 L N 6.124 127.190 121.223 -0.262 0.000 2.319 79 L HA 0.583 4.924 4.340 0.001 0.000 0.281 79 L C -1.291 175.428 176.870 -0.252 0.000 1.005 79 L CA -0.058 54.592 54.840 -0.316 0.000 0.828 79 L CB 1.272 43.025 42.059 -0.510 0.000 1.227 79 L HN 0.418 nan 8.230 nan 0.000 0.415 80 L N 3.358 124.527 121.223 -0.089 0.000 2.354 80 L HA 0.666 5.007 4.340 0.001 0.000 0.269 80 L C -0.149 176.871 176.870 0.251 0.000 1.005 80 L CA -0.694 54.194 54.840 0.081 0.000 0.819 80 L CB 2.127 44.226 42.059 0.066 0.000 1.311 80 L HN 0.640 nan 8.230 nan 0.000 0.423 81 S N -0.040 115.831 115.700 0.285 0.000 2.482 81 S HA 0.524 4.994 4.470 0.001 0.000 0.303 81 S C 0.677 175.397 174.600 0.201 0.000 1.091 81 S CA -0.274 58.071 58.200 0.242 0.000 1.057 81 S CB 1.681 64.921 63.200 0.066 0.000 1.031 81 S HN 0.800 nan 8.310 nan 0.000 0.485 82 G N 2.157 111.079 108.800 0.202 0.000 3.026 82 G HA2 0.478 4.439 3.960 0.001 0.000 0.208 82 G HA3 0.478 4.439 3.960 0.001 0.000 0.208 82 G C 0.926 176.009 174.900 0.304 0.000 1.169 82 G CA 0.210 45.436 45.100 0.211 0.000 0.788 82 G HN 1.561 nan 8.290 nan 0.000 0.533 83 G N 0.133 109.079 108.800 0.243 0.000 2.698 83 G HA2 0.020 3.981 3.960 0.001 0.000 0.225 83 G HA3 0.020 3.981 3.960 0.001 0.000 0.225 83 G C -0.247 174.791 174.900 0.229 0.000 1.345 83 G CA -0.145 45.101 45.100 0.244 0.000 0.871 83 G HN 0.709 nan 8.290 nan 0.000 0.540 84 D N -1.210 119.265 120.400 0.125 0.000 2.828 84 D HA -0.128 4.513 4.640 0.001 0.000 0.241 84 D C 1.446 177.676 176.300 -0.117 0.000 1.142 84 D CA 1.009 55.021 54.000 0.021 0.000 0.755 84 D CB -0.673 40.145 40.800 0.031 0.000 1.014 84 D HN 0.589 nan 8.370 nan 0.000 0.420 85 I N -0.609 119.977 120.570 0.027 0.000 2.584 85 I HA -0.033 4.138 4.170 0.001 0.000 0.255 85 I C 1.335 177.522 176.117 0.117 0.000 1.145 85 I CA 0.666 61.972 61.300 0.010 0.000 1.462 85 I CB -0.400 37.448 38.000 -0.254 0.000 1.102 85 I HN 0.185 nan 8.210 nan 0.000 0.433 86 N N 1.990 120.810 118.700 0.201 0.000 2.529 86 N HA 0.161 4.901 4.740 0.001 0.000 0.278 86 N C -0.417 175.291 175.510 0.329 0.000 1.146 86 N CA 0.607 53.814 53.050 0.262 0.000 0.980 86 N CB 0.934 39.593 38.487 0.287 0.000 1.124 86 N HN 0.107 nan 8.380 nan 0.000 0.458 87 T N 0.028 114.725 114.554 0.238 0.000 0.571 87 T HA 0.031 4.381 4.350 0.001 0.000 0.771 87 T C 0.753 175.490 174.700 0.062 0.000 0.992 87 T CA 0.608 62.801 62.100 0.155 0.000 4.060 87 T CB -1.122 67.854 68.868 0.180 0.000 2.294 87 T HN 0.953 nan 8.240 nan 0.000 0.396 88 G N 0.905 109.676 108.800 -0.048 0.000 3.110 88 G HA2 0.242 4.203 3.960 0.001 0.000 0.205 88 G HA3 0.242 4.203 3.960 0.001 0.000 0.205 88 G C -0.366 174.337 174.900 -0.328 0.000 1.019 88 G CA 0.145 45.152 45.100 -0.155 0.000 0.826 88 G HN 1.450 nan 8.290 nan 0.000 0.481 89 V N 1.081 120.803 119.914 -0.321 0.000 2.525 89 V HA 0.340 4.461 4.120 0.001 0.000 0.299 89 V C 1.283 177.268 176.094 -0.181 0.000 1.034 89 V CA -0.306 61.775 62.300 -0.366 0.000 0.863 89 V CB 1.194 32.678 31.823 -0.565 0.000 0.999 89 V HN 0.293 nan 8.190 nan 0.000 0.423 90 c N 2.405 120.917 118.600 -0.147 0.000 2.422 90 c HA -0.104 4.467 4.570 0.001 0.000 0.279 90 c C 2.454 176.524 174.090 -0.033 0.000 1.305 90 c CA 1.179 57.465 56.329 -0.072 0.000 1.757 90 c CB -0.735 41.741 42.510 -0.057 0.000 1.962 90 c HN 1.059 nan 8.230 nan 0.000 0.499 91 E N 0.233 120.414 120.200 -0.031 0.000 2.110 91 E HA -0.154 4.197 4.350 0.001 0.000 0.193 91 E C 2.360 179.062 176.600 0.169 0.000 0.988 91 E CA 1.431 57.865 56.400 0.057 0.000 0.804 91 E CB -0.293 29.447 29.700 0.067 0.000 0.745 91 E HN 0.581 nan 8.360 nan 0.000 0.458 92 S N 0.261 116.094 115.700 0.221 0.000 2.345 92 S HA -0.167 4.304 4.470 0.001 0.000 0.220 92 S C 1.361 176.010 174.600 0.082 0.000 1.031 92 S CA 1.431 59.751 58.200 0.199 0.000 0.996 92 S CB -0.309 63.018 63.200 0.212 0.000 0.882 92 S HN 0.145 nan 8.310 nan 0.000 0.445 93 D N 1.453 121.889 120.400 0.059 0.000 2.116 93 D HA -0.113 4.528 4.640 0.001 0.000 0.193 93 D C 1.910 178.241 176.300 0.052 0.000 0.998 93 D CA 1.095 55.132 54.000 0.063 0.000 0.836 93 D CB -0.758 40.067 40.800 0.042 0.000 0.951 93 D HN 0.379 nan 8.370 nan 0.000 0.449 94 L N 0.572 121.809 121.223 0.023 0.000 2.081 94 L HA -0.199 4.141 4.340 0.001 0.000 0.212 94 L C 1.403 178.287 176.870 0.023 0.000 1.080 94 L CA 1.823 56.663 54.840 -0.000 0.000 0.754 94 L CB -0.376 41.664 42.059 -0.033 0.000 0.893 94 L HN 0.018 nan 8.230 nan 0.000 0.433 95 Q N -0.608 119.210 119.800 0.030 0.000 2.204 95 Q HA 0.058 4.399 4.340 0.001 0.000 0.209 95 Q C -0.462 175.565 176.000 0.045 0.000 0.861 95 Q CA 0.177 55.993 55.803 0.022 0.000 0.971 95 Q CB 0.264 28.991 28.738 -0.018 0.000 1.095 95 Q HN 0.402 nan 8.270 nan 0.000 0.486 96 D N 0.371 120.836 120.400 0.108 0.000 2.701 96 D HA -0.262 4.378 4.640 0.001 0.000 0.235 96 D C 0.364 176.816 176.300 0.253 0.000 1.155 96 D CA 1.051 55.169 54.000 0.196 0.000 0.649 96 D CB -1.176 39.785 40.800 0.268 0.000 1.050 96 D HN 0.547 nan 8.370 nan 0.000 0.425 97 A N -0.764 122.131 122.820 0.125 0.000 2.816 97 A HA -0.395 3.926 4.320 0.001 0.000 0.270 97 A C 1.565 179.149 177.584 0.001 0.000 1.413 97 A CA 2.367 54.469 52.037 0.110 0.000 0.866 97 A CB -1.932 17.236 19.000 0.280 0.000 1.032 97 A HN 0.603 nan 8.150 nan 0.000 0.642 98 E N 0.176 120.151 120.200 -0.374 0.000 2.049 98 E HA -0.198 4.152 4.350 0.001 0.000 0.198 98 E C -0.247 175.754 176.600 -0.998 0.000 1.007 98 E CA 1.487 57.257 56.400 -1.050 0.000 0.809 98 E CB -0.471 28.309 29.700 -1.535 0.000 0.749 98 E HN 0.625 nan 8.360 nan 0.000 0.450 99 P HA -0.171 nan 4.420 nan 0.000 0.216 99 P C 0.346 177.252 177.300 -0.656 0.000 1.150 99 P CA 1.895 64.183 63.100 -1.353 0.000 0.843 99 P CB -0.127 30.470 31.700 -1.839 0.000 0.787 100 D N -0.722 119.422 120.400 -0.426 0.000 2.084 100 D HA -0.125 4.516 4.640 0.001 0.000 0.196 100 D C 1.827 177.940 176.300 -0.313 0.000 0.985 100 D CA 1.081 54.946 54.000 -0.225 0.000 0.826 100 D CB -0.837 39.886 40.800 -0.127 0.000 0.978 100 D HN 0.109 nan 8.370 nan 0.000 0.456 101 F N 0.908 120.786 119.950 -0.119 0.000 2.146 101 F HA -0.001 4.526 4.527 0.001 0.000 0.298 101 F C 2.425 178.223 175.800 -0.003 0.000 1.096 101 F CA 0.975 58.976 58.000 0.001 0.000 1.275 101 F CB -0.210 38.827 39.000 0.061 0.000 1.008 101 F HN -0.195 nan 8.300 nan 0.000 0.480 102 R N -0.122 120.375 120.500 -0.006 0.000 2.081 102 R HA -0.093 4.248 4.340 0.001 0.000 0.235 102 R C 2.582 178.897 176.300 0.026 0.000 1.131 102 R CA 1.139 57.229 56.100 -0.017 0.000 0.960 102 R CB -1.166 29.035 30.300 -0.165 0.000 0.856 102 R HN 0.399 nan 8.270 nan 0.000 0.436 103 G N 0.907 109.685 108.800 -0.037 0.000 2.440 103 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 103 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 103 G C 1.418 176.354 174.900 0.060 0.000 1.154 103 G CA 0.711 45.827 45.100 0.026 0.000 0.767 103 G HN 0.187 nan 8.290 nan 0.000 0.552 104 M N 0.623 120.236 119.600 0.021 0.000 2.229 104 M HA -0.018 4.462 4.480 0.001 0.000 0.264 104 M C 2.288 178.739 176.300 0.252 0.000 1.063 104 M CA 0.755 56.084 55.300 0.050 0.000 1.114 104 M CB -0.282 32.146 32.600 -0.287 0.000 1.387 104 M HN 0.107 nan 8.290 nan 0.000 0.420 105 N N 0.906 119.798 118.700 0.320 0.000 2.120 105 N HA -0.147 4.594 4.740 0.001 0.000 0.188 105 N C 1.613 177.242 175.510 0.198 0.000 1.024 105 N CA 1.206 54.450 53.050 0.323 0.000 0.852 105 N CB -0.477 38.169 38.487 0.264 0.000 1.003 105 N HN 0.222 nan 8.380 nan 0.000 0.424 106 L N 0.950 122.263 121.223 0.149 0.000 2.093 106 L HA -0.005 4.336 4.340 0.001 0.000 0.208 106 L C 1.965 178.888 176.870 0.088 0.000 1.085 106 L CA 1.070 55.974 54.840 0.107 0.000 0.755 106 L CB -0.541 41.574 42.059 0.093 0.000 0.904 106 L HN -0.104 nan 8.230 nan 0.000 0.435 107 V N 0.494 120.471 119.914 0.106 0.000 2.392 107 V HA -0.019 4.102 4.120 0.001 0.000 0.249 107 V C 1.623 177.715 176.094 -0.003 0.000 1.059 107 V CA 1.326 63.661 62.300 0.059 0.000 1.051 107 V CB -1.418 30.473 31.823 0.113 0.000 0.658 107 V HN 0.740 nan 8.190 nan 0.000 0.455 108 G N -1.419 107.414 108.800 0.054 0.000 2.392 108 G HA2 -0.230 3.731 3.960 0.001 0.000 0.215 108 G HA3 -0.230 3.731 3.960 0.001 0.000 0.215 108 G C -0.321 174.522 174.900 -0.096 0.000 1.097 108 G CA -0.440 44.669 45.100 0.015 0.000 0.840 108 G HN 0.359 nan 8.290 nan 0.000 0.492 109 Y N 0.447 120.604 120.300 -0.238 0.000 2.578 109 Y HA 0.261 4.812 4.550 0.002 0.000 0.339 109 Y C 1.580 177.312 175.900 -0.280 0.000 1.231 109 Y CA 0.642 58.486 58.100 -0.427 0.000 1.461 109 Y CB 0.678 38.548 38.460 -0.983 0.000 1.323 109 Y HN 0.218 nan 8.280 nan 0.000 0.590 110 D N 0.808 121.162 120.400 -0.077 0.000 2.379 110 D HA 0.321 4.962 4.640 0.001 0.000 0.218 110 D C 0.092 176.582 176.300 0.318 0.000 1.006 110 D CA 0.774 54.810 54.000 0.060 0.000 0.893 110 D CB 0.558 41.161 40.800 -0.328 0.000 1.019 110 D HN 0.495 nan 8.370 nan 0.000 0.503 111 A N 0.064 123.027 122.820 0.237 0.000 2.566 111 A HA 0.647 4.967 4.320 0.001 0.000 0.290 111 A C -1.732 176.041 177.584 0.314 0.000 1.071 111 A CA -0.636 51.645 52.037 0.406 0.000 0.658 111 A CB 1.637 20.895 19.000 0.430 0.000 1.285 111 A HN 0.028 nan 8.150 nan 0.000 0.427 112 M N 1.012 120.838 119.600 0.377 0.000 2.433 112 M HA 0.708 5.189 4.480 0.001 0.000 0.290 112 M C -0.618 175.821 176.300 0.232 0.000 1.173 112 M CA -0.544 54.934 55.300 0.297 0.000 0.905 112 M CB 1.920 34.761 32.600 0.402 0.000 1.692 112 M HN 1.610 nan 8.290 nan 0.000 0.462 113 A N 4.578 127.517 122.820 0.199 0.000 2.388 113 A HA 0.573 4.894 4.320 0.001 0.000 0.257 113 A C -0.390 177.272 177.584 0.130 0.000 1.095 113 A CA -0.514 51.623 52.037 0.166 0.000 0.791 113 A CB 0.101 19.217 19.000 0.192 0.000 1.029 113 A HN 0.881 nan 8.150 nan 0.000 0.489 114 I N 2.246 122.842 120.570 0.044 0.000 2.471 114 I HA 0.291 4.462 4.170 0.001 0.000 0.286 114 I C 1.194 177.323 176.117 0.021 0.000 1.079 114 I CA 0.338 61.619 61.300 -0.031 0.000 1.398 114 I CB 0.908 38.762 38.000 -0.244 0.000 1.403 114 I HN 0.725 nan 8.210 nan 0.000 0.530 115 G N 4.170 112.930 108.800 -0.068 0.000 2.521 115 G HA2 0.124 4.085 3.960 0.001 0.000 0.323 115 G HA3 0.124 4.085 3.960 0.001 0.000 0.323 115 G C 0.849 175.691 174.900 -0.096 0.000 1.211 115 G CA -0.628 44.217 45.100 -0.426 0.000 0.979 115 G HN 0.725 nan 8.290 nan 0.000 0.490 116 N N -0.543 118.062 118.700 -0.158 0.000 2.223 116 N HA -0.183 4.557 4.740 0.001 0.000 0.185 116 N C 1.134 176.780 175.510 0.227 0.000 1.016 116 N CA 1.232 54.364 53.050 0.138 0.000 0.863 116 N CB -0.385 38.115 38.487 0.022 0.000 0.983 116 N HN 0.609 nan 8.380 nan 0.000 0.429 117 H N 0.179 119.396 119.070 0.245 0.000 2.559 117 H HA 0.084 4.641 4.556 0.001 0.000 0.273 117 H C 0.820 176.268 175.328 0.200 0.000 1.000 117 H CA 0.556 56.775 56.048 0.284 0.000 1.195 117 H CB 0.380 30.363 29.762 0.367 0.000 1.368 117 H HN 0.320 nan 8.280 nan 0.000 0.592 118 E N 0.020 120.322 120.200 0.169 0.000 2.409 118 E HA -0.063 4.287 4.350 0.001 0.000 0.198 118 E C 0.561 176.976 176.600 -0.308 0.000 1.024 118 E CA 0.426 56.779 56.400 -0.079 0.000 0.861 118 E CB -0.141 29.423 29.700 -0.227 0.000 0.788 118 E HN 0.353 nan 8.360 nan 0.000 0.521 119 F N -0.155 119.911 119.950 0.194 0.000 2.639 119 F HA 0.162 4.690 4.527 0.001 0.000 0.300 119 F C 1.020 176.979 175.800 0.266 0.000 1.109 119 F CA -0.169 57.970 58.000 0.232 0.000 1.335 119 F CB 0.451 39.726 39.000 0.459 0.000 1.014 119 F HN -0.120 nan 8.300 nan 0.000 0.537 120 D N 0.073 120.675 120.400 0.337 0.000 2.277 120 D HA -0.045 4.596 4.640 0.001 0.000 0.208 120 D C 0.148 176.651 176.300 0.337 0.000 0.962 120 D CA 0.839 55.051 54.000 0.353 0.000 0.865 120 D CB -0.091 40.918 40.800 0.347 0.000 0.939 120 D HN 0.323 nan 8.370 nan 0.000 0.510 121 N N 0.160 118.953 118.700 0.156 0.000 2.443 121 N HA 0.370 5.111 4.740 0.001 0.000 0.293 121 N C -2.658 172.631 175.510 -0.369 0.000 1.159 121 N CA -1.551 51.501 53.050 0.003 0.000 0.904 121 N CB 1.625 40.115 38.487 0.005 0.000 1.214 121 N HN -0.223 nan 8.380 nan 0.000 0.513 122 P HA -0.073 nan 4.420 nan 0.000 0.267 122 P C 0.649 177.708 177.300 -0.402 0.000 1.201 122 P CA -0.273 62.411 63.100 -0.694 0.000 0.775 122 P CB 0.545 32.044 31.700 -0.334 0.000 0.854 123 L N 3.164 124.186 121.223 -0.336 0.000 2.079 123 L HA -0.178 4.163 4.340 0.001 0.000 0.210 123 L C 1.935 178.703 176.870 -0.169 0.000 1.081 123 L CA 2.251 56.987 54.840 -0.173 0.000 0.752 123 L CB -1.634 40.375 42.059 -0.082 0.000 0.896 123 L HN 0.342 nan 8.230 nan 0.000 0.433 124 T N -1.291 113.159 114.554 -0.173 0.000 2.759 124 T HA -0.185 4.166 4.350 0.001 0.000 0.269 124 T C 1.976 176.558 174.700 -0.198 0.000 1.042 124 T CA 1.609 63.610 62.100 -0.165 0.000 1.140 124 T CB -0.373 68.413 68.868 -0.136 0.000 0.864 124 T HN 0.232 nan 8.240 nan 0.000 0.455 125 V N 1.283 121.080 119.914 -0.194 0.000 2.358 125 V HA -0.086 4.035 4.120 0.001 0.000 0.246 125 V C 2.345 178.285 176.094 -0.256 0.000 1.047 125 V CA 1.202 63.381 62.300 -0.201 0.000 1.035 125 V CB -0.583 31.166 31.823 -0.124 0.000 0.658 125 V HN 0.344 nan 8.190 nan 0.000 0.452 126 L N 0.218 121.299 121.223 -0.236 0.000 2.083 126 L HA -0.095 4.246 4.340 0.001 0.000 0.209 126 L C 2.576 179.281 176.870 -0.274 0.000 1.083 126 L CA 1.823 56.507 54.840 -0.260 0.000 0.752 126 L CB -0.746 41.156 42.059 -0.262 0.000 0.899 126 L HN 0.154 nan 8.230 nan 0.000 0.433 127 R N -0.456 119.905 120.500 -0.232 0.000 2.096 127 R HA -0.172 4.169 4.340 0.001 0.000 0.235 127 R C 2.210 178.288 176.300 -0.370 0.000 1.127 127 R CA 1.457 57.412 56.100 -0.242 0.000 0.968 127 R CB -0.896 29.284 30.300 -0.200 0.000 0.861 127 R HN 0.478 nan 8.270 nan 0.000 0.440 128 Q N 1.148 120.663 119.800 -0.475 0.000 2.224 128 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 128 Q C 1.810 177.208 176.000 -1.004 0.000 0.970 128 Q CA 1.451 56.798 55.803 -0.760 0.000 0.865 128 Q CB 0.062 28.291 28.738 -0.849 0.000 0.922 128 Q HN 0.407 nan 8.270 nan 0.000 0.445 129 Q N -0.339 119.011 119.800 -0.749 0.000 2.172 129 Q HA -0.123 4.218 4.340 0.001 0.000 0.200 129 Q C 1.829 177.387 176.000 -0.737 0.000 0.964 129 Q CA 1.281 56.621 55.803 -0.772 0.000 0.855 129 Q CB 0.058 28.265 28.738 -0.886 0.000 0.918 129 Q HN 0.517 nan 8.270 nan 0.000 0.444 130 E N 0.832 120.706 120.200 -0.543 0.000 2.118 130 E HA -0.245 4.106 4.350 0.001 0.000 0.195 130 E C 1.877 178.274 176.600 -0.338 0.000 0.992 130 E CA 1.225 57.387 56.400 -0.397 0.000 0.804 130 E CB -0.001 29.547 29.700 -0.253 0.000 0.741 130 E HN 0.077 nan 8.360 nan 0.000 0.458 131 K N 0.662 120.840 120.400 -0.370 0.000 2.025 131 K HA -0.164 4.157 4.320 0.001 0.000 0.207 131 K C 1.724 178.219 176.600 -0.176 0.000 1.049 131 K CA 1.343 57.455 56.287 -0.291 0.000 0.933 131 K CB -0.323 31.963 32.500 -0.356 0.000 0.714 131 K HN 0.126 nan 8.250 nan 0.000 0.438 132 W N 1.319 122.489 121.300 -0.218 0.000 2.338 132 W HA 0.099 4.760 4.660 0.001 0.000 0.304 132 W C 0.686 177.106 176.519 -0.165 0.000 1.212 132 W CA 0.701 57.947 57.345 -0.164 0.000 1.264 132 W CB -1.222 28.143 29.460 -0.158 0.000 1.142 132 W HN 0.181 nan 8.180 nan 0.000 0.512 133 A N 1.194 123.945 122.820 -0.116 0.000 2.454 133 A HA 0.145 4.466 4.320 0.001 0.000 0.260 133 A C 0.895 178.307 177.584 -0.288 0.000 1.106 133 A CA -0.095 51.709 52.037 -0.387 0.000 0.780 133 A CB 0.090 18.520 19.000 -0.950 0.000 1.044 133 A HN 0.259 nan 8.150 nan 0.000 0.498 134 K N 1.663 122.026 120.400 -0.061 0.000 2.520 134 K HA 0.236 4.557 4.320 0.001 0.000 0.205 134 K C -0.958 175.765 176.600 0.205 0.000 1.035 134 K CA 0.154 56.494 56.287 0.088 0.000 1.188 134 K CB -0.293 32.313 32.500 0.177 0.000 0.894 134 K HN 0.695 nan 8.250 nan 0.000 0.497 135 F N -1.030 119.006 119.950 0.144 0.000 2.599 135 F HA 0.571 5.098 4.527 0.001 0.000 0.311 135 F C -2.910 172.973 175.800 0.138 0.000 1.076 135 F CA -3.687 54.416 58.000 0.171 0.000 0.937 135 F CB 0.452 39.586 39.000 0.224 0.000 1.282 135 F HN -0.212 nan 8.300 nan 0.000 0.460 136 P HA 0.241 nan 4.420 nan 0.000 0.275 136 P C -0.990 176.419 177.300 0.181 0.000 1.227 136 P CA -0.150 63.024 63.100 0.124 0.000 0.781 136 P CB 1.468 33.253 31.700 0.142 0.000 0.906 137 L N 3.994 125.245 121.223 0.045 0.000 2.261 137 L HA 0.383 4.724 4.340 0.001 0.000 0.289 137 L C 0.377 177.258 176.870 0.019 0.000 1.059 137 L CA -0.523 54.343 54.840 0.044 0.000 0.816 137 L CB 0.092 42.103 42.059 -0.080 0.000 1.191 137 L HN 0.222 nan 8.230 nan 0.000 0.431 138 L N 2.994 124.257 121.223 0.066 0.000 2.317 138 L HA 0.620 4.961 4.340 0.001 0.000 0.281 138 L C 0.142 177.030 176.870 0.031 0.000 1.024 138 L CA -0.229 54.654 54.840 0.070 0.000 0.810 138 L CB 1.871 44.016 42.059 0.144 0.000 1.240 138 L HN 0.555 nan 8.230 nan 0.000 0.427 139 S N 0.638 116.366 115.700 0.046 0.000 2.592 139 S HA 0.562 5.033 4.470 0.001 0.000 0.275 139 S C 0.183 174.839 174.600 0.094 0.000 1.169 139 S CA 0.011 58.256 58.200 0.075 0.000 0.958 139 S CB 1.738 64.955 63.200 0.028 0.000 1.095 139 S HN 0.703 nan 8.310 nan 0.000 0.471 140 A N 3.496 126.373 122.820 0.095 0.000 2.081 140 A HA 0.130 4.451 4.320 0.001 0.000 0.214 140 A C 1.440 179.041 177.584 0.028 0.000 1.158 140 A CA 0.794 52.869 52.037 0.063 0.000 0.724 140 A CB -0.254 18.840 19.000 0.156 0.000 0.826 140 A HN 0.868 nan 8.150 nan 0.000 0.463 141 N N -0.017 118.737 118.700 0.091 0.000 2.230 141 N HA 0.148 4.889 4.740 0.001 0.000 0.202 141 N C -0.196 175.388 175.510 0.123 0.000 1.119 141 N CA -0.048 53.115 53.050 0.188 0.000 0.851 141 N CB 0.140 38.755 38.487 0.214 0.000 0.990 141 N HN 0.401 nan 8.380 nan 0.000 0.497 142 I N 1.492 122.005 120.570 -0.096 0.000 2.312 142 I HA 0.278 4.449 4.170 0.001 0.000 0.290 142 I C -0.887 175.024 176.117 -0.344 0.000 1.008 142 I CA -0.744 60.401 61.300 -0.259 0.000 1.226 142 I CB 0.431 38.348 38.000 -0.138 0.000 1.371 142 I HN -0.144 nan 8.210 nan 0.000 0.468 143 Y N 3.645 123.821 120.300 -0.206 0.000 2.468 143 Y HA 0.335 4.885 4.550 0.001 0.000 0.342 143 Y C 0.229 176.049 175.900 -0.133 0.000 1.021 143 Y CA -0.826 57.193 58.100 -0.135 0.000 1.079 143 Y CB 1.697 40.102 38.460 -0.091 0.000 1.226 143 Y HN 0.465 nan 8.280 nan 0.000 0.460 144 Q N 3.328 123.141 119.800 0.022 0.000 2.337 144 Q HA 0.182 4.523 4.340 0.001 0.000 0.255 144 Q C 0.608 176.636 176.000 0.047 0.000 0.997 144 Q CA -0.259 55.547 55.803 0.004 0.000 0.925 144 Q CB 0.773 29.482 28.738 -0.048 0.000 1.212 144 Q HN 0.680 nan 8.270 nan 0.000 0.436 145 K N 1.493 121.918 120.400 0.042 0.000 2.074 145 K HA -0.202 4.119 4.320 0.001 0.000 0.209 145 K C 1.881 178.492 176.600 0.017 0.000 1.048 145 K CA 1.948 58.253 56.287 0.030 0.000 0.926 145 K CB -0.059 32.458 32.500 0.028 0.000 0.713 145 K HN 0.775 nan 8.250 nan 0.000 0.444 146 S N 0.333 116.041 115.700 0.012 0.000 2.382 146 S HA -0.133 4.338 4.470 0.001 0.000 0.228 146 S C 2.078 176.678 174.600 0.001 0.000 1.027 146 S CA 1.808 60.010 58.200 0.004 0.000 0.991 146 S CB -0.546 62.653 63.200 -0.001 0.000 0.823 146 S HN 0.465 nan 8.310 nan 0.000 0.469 147 T N -3.554 111.001 114.554 0.002 0.000 3.001 147 T HA 0.501 4.852 4.350 0.001 0.000 0.251 147 T C 1.596 176.308 174.700 0.021 0.000 1.040 147 T CA 0.699 62.800 62.100 0.002 0.000 0.985 147 T CB -0.159 68.702 68.868 -0.013 0.000 1.011 147 T HN 1.228 nan 8.240 nan 0.000 0.509 148 G N 1.466 110.292 108.800 0.044 0.000 2.153 148 G HA2 -0.208 3.753 3.960 0.001 0.000 0.252 148 G HA3 -0.208 3.753 3.960 0.001 0.000 0.252 148 G C -0.203 174.806 174.900 0.182 0.000 0.994 148 G CA 0.250 45.397 45.100 0.079 0.000 0.698 148 G HN 0.616 nan 8.290 nan 0.000 0.521 149 E N -0.125 120.151 120.200 0.127 0.000 2.222 149 E HA 0.433 4.783 4.350 0.001 0.000 0.272 149 E C 0.731 177.285 176.600 -0.077 0.000 0.982 149 E CA -0.879 55.555 56.400 0.056 0.000 0.842 149 E CB 1.012 30.689 29.700 -0.039 0.000 1.144 149 E HN 0.365 nan 8.360 nan 0.000 0.397 150 R N 1.287 121.619 120.500 -0.281 0.000 2.590 150 R HA 0.138 4.479 4.340 0.001 0.000 0.274 150 R C 1.313 177.379 176.300 -0.391 0.000 1.061 150 R CA -0.045 55.737 56.100 -0.531 0.000 1.081 150 R CB 0.600 30.609 30.300 -0.485 0.000 0.984 150 R HN 0.414 nan 8.270 nan 0.000 0.448 151 L N 1.990 122.928 121.223 -0.474 0.000 2.375 151 L HA 0.131 4.472 4.340 0.001 0.000 0.215 151 L C -0.116 176.159 176.870 -0.991 0.000 1.108 151 L CA 0.787 55.185 54.840 -0.736 0.000 0.830 151 L CB 0.215 41.715 42.059 -0.931 0.000 0.959 151 L HN 0.441 nan 8.230 nan 0.000 0.457 152 F N -1.513 118.336 119.950 -0.169 0.000 2.640 152 F HA 0.369 4.897 4.527 0.001 0.000 0.324 152 F C 0.256 175.945 175.800 -0.186 0.000 1.077 152 F CA -1.265 56.649 58.000 -0.144 0.000 0.965 152 F CB 0.843 39.791 39.000 -0.086 0.000 1.351 152 F HN -0.393 nan 8.300 nan 0.000 0.487 153 K N 2.784 123.202 120.400 0.030 0.000 2.416 153 K HA 0.102 4.423 4.320 0.001 0.000 0.283 153 K C -1.755 174.776 176.600 -0.115 0.000 1.037 153 K CA -1.152 55.059 56.287 -0.127 0.000 0.995 153 K CB 0.746 33.180 32.500 -0.111 0.000 0.938 153 K HN 0.227 nan 8.250 nan 0.000 0.475 154 P HA -0.060 nan 4.420 nan 0.000 0.221 154 P C -0.675 176.684 177.300 0.098 0.000 1.155 154 P CA 0.985 64.020 63.100 -0.108 0.000 0.812 154 P CB 0.102 31.684 31.700 -0.197 0.000 0.801 155 W N -1.123 120.205 121.300 0.048 0.000 3.025 155 W HA 0.757 5.418 4.660 0.001 0.000 0.343 155 W C -2.059 174.478 176.519 0.030 0.000 1.246 155 W CA -1.549 55.831 57.345 0.057 0.000 1.178 155 W CB 0.426 29.915 29.460 0.048 0.000 1.463 155 W HN -0.043 nan 8.180 nan 0.000 0.578 156 A N 1.596 124.667 122.820 0.419 0.000 2.469 156 A HA 0.898 5.219 4.320 0.001 0.000 0.299 156 A C -1.747 175.870 177.584 0.054 0.000 1.098 156 A CA -1.088 51.048 52.037 0.165 0.000 0.737 156 A CB 1.352 20.351 19.000 -0.002 0.000 1.312 156 A HN 0.790 nan 8.150 nan 0.000 0.414 157 L N 0.512 121.595 121.223 -0.234 0.000 2.334 157 L HA 0.717 5.058 4.340 0.001 0.000 0.276 157 L C -1.388 175.097 176.870 -0.641 0.000 1.014 157 L CA -0.357 54.333 54.840 -0.250 0.000 0.815 157 L CB 1.616 43.639 42.059 -0.060 0.000 1.268 157 L HN 0.663 nan 8.230 nan 0.000 0.428 158 F N 0.839 120.810 119.950 0.034 0.000 2.556 158 F HA 0.463 4.991 4.527 0.001 0.000 0.314 158 F C -0.120 175.668 175.800 -0.020 0.000 1.106 158 F CA -0.903 57.106 58.000 0.014 0.000 0.911 158 F CB 1.951 40.956 39.000 0.009 0.000 1.190 158 F HN 0.182 nan 8.300 nan 0.000 0.448 159 K N 2.765 123.249 120.400 0.140 0.000 2.240 159 K HA 0.561 4.881 4.320 0.001 0.000 0.271 159 K C -0.819 175.817 176.600 0.060 0.000 1.018 159 K CA -0.530 55.793 56.287 0.060 0.000 0.874 159 K CB 0.707 33.228 32.500 0.034 0.000 1.098 159 K HN 0.320 nan 8.250 nan 0.000 0.458 160 R N 3.296 123.796 120.500 -0.001 0.000 2.521 160 R HA 0.174 4.515 4.340 0.001 0.000 0.295 160 R C -0.825 175.444 176.300 -0.052 0.000 1.183 160 R CA -0.481 55.609 56.100 -0.018 0.000 0.957 160 R CB 1.078 31.352 30.300 -0.044 0.000 1.171 160 R HN 0.743 nan 8.270 nan 0.000 0.494 161 Q N 1.932 121.738 119.800 0.009 0.000 2.451 161 Q HA -0.259 4.082 4.340 0.001 0.000 0.305 161 Q C 0.041 176.051 176.000 0.017 0.000 1.345 161 Q CA 1.246 57.086 55.803 0.060 0.000 0.854 161 Q CB -0.931 27.905 28.738 0.163 0.000 1.162 161 Q HN 0.924 nan 8.270 nan 0.000 0.440 162 D N -2.314 118.083 120.400 -0.004 0.000 2.978 162 D HA -0.248 4.393 4.640 0.001 0.000 0.205 162 D C -0.717 175.518 176.300 -0.109 0.000 1.093 162 D CA 1.500 55.490 54.000 -0.018 0.000 1.006 162 D CB -1.202 39.629 40.800 0.052 0.000 1.116 162 D HN 0.545 nan 8.370 nan 0.000 0.419 163 L N 0.512 121.593 121.223 -0.237 0.000 2.326 163 L HA 0.328 4.668 4.340 0.001 0.000 0.278 163 L C 1.046 177.801 176.870 -0.192 0.000 1.092 163 L CA -0.477 54.158 54.840 -0.341 0.000 0.810 163 L CB 1.268 42.938 42.059 -0.648 0.000 1.153 163 L HN -0.027 nan 8.230 nan 0.000 0.439 164 K N 4.433 124.746 120.400 -0.146 0.000 2.262 164 K HA 0.500 4.820 4.320 0.001 0.000 0.282 164 K C -0.970 175.582 176.600 -0.080 0.000 1.066 164 K CA -0.396 55.844 56.287 -0.078 0.000 0.901 164 K CB 0.619 33.087 32.500 -0.053 0.000 1.089 164 K HN 0.495 nan 8.250 nan 0.000 0.476 165 I N 3.524 124.087 120.570 -0.011 0.000 2.362 165 I HA 0.300 4.471 4.170 0.001 0.000 0.289 165 I C -0.206 175.982 176.117 0.118 0.000 0.994 165 I CA -0.798 60.518 61.300 0.026 0.000 1.158 165 I CB 1.895 39.923 38.000 0.047 0.000 1.315 165 I HN 0.573 nan 8.210 nan 0.000 0.451 166 A N 6.641 129.488 122.820 0.046 0.000 2.276 166 A HA 0.732 5.053 4.320 0.001 0.000 0.316 166 A C -0.538 177.127 177.584 0.134 0.000 1.229 166 A CA -0.471 51.597 52.037 0.052 0.000 0.851 166 A CB 0.955 19.867 19.000 -0.146 0.000 1.165 166 A HN 0.473 nan 8.150 nan 0.000 0.513 167 V N 4.811 124.889 119.914 0.273 0.000 2.357 167 V HA 0.308 4.428 4.120 0.001 0.000 0.284 167 V C -0.041 176.226 176.094 0.289 0.000 1.018 167 V CA -0.157 62.300 62.300 0.261 0.000 0.841 167 V CB 0.949 32.974 31.823 0.336 0.000 0.991 167 V HN 0.769 nan 8.190 nan 0.000 0.437 168 I N 3.644 124.348 120.570 0.224 0.000 2.440 168 I HA 0.574 4.745 4.170 0.001 0.000 0.294 168 I C 0.973 177.218 176.117 0.213 0.000 0.995 168 I CA -0.036 61.421 61.300 0.261 0.000 1.306 168 I CB 1.558 39.675 38.000 0.194 0.000 1.407 168 I HN 0.699 nan 8.210 nan 0.000 0.501 169 G N 6.506 115.432 108.800 0.211 0.000 2.371 169 G HA2 0.745 4.706 3.960 0.001 0.000 0.326 169 G HA3 0.745 4.706 3.960 0.001 0.000 0.326 169 G C -1.002 173.991 174.900 0.155 0.000 1.127 169 G CA -0.423 44.779 45.100 0.170 0.000 0.885 169 G HN 0.440 nan 8.290 nan 0.000 0.477 170 L N 0.791 122.105 121.223 0.151 0.000 2.434 170 L HA 0.568 4.909 4.340 0.001 0.000 0.260 170 L C -0.408 176.561 176.870 0.165 0.000 0.983 170 L CA -0.808 54.122 54.840 0.150 0.000 0.820 170 L CB 2.957 45.098 42.059 0.137 0.000 1.361 170 L HN 0.428 nan 8.230 nan 0.000 0.410 171 T N -0.108 114.553 114.554 0.178 0.000 2.824 171 T HA 0.228 4.579 4.350 0.001 0.000 0.282 171 T C -0.160 174.628 174.700 0.146 0.000 0.993 171 T CA -0.400 61.815 62.100 0.193 0.000 0.967 171 T CB 1.777 70.806 68.868 0.268 0.000 0.960 171 T HN 0.612 nan 8.240 nan 0.000 0.441 172 T N 2.339 116.922 114.554 0.049 0.000 2.933 172 T HA -0.035 4.316 4.350 0.001 0.000 0.306 172 T C 1.255 175.856 174.700 -0.165 0.000 1.045 172 T CA -0.127 61.935 62.100 -0.064 0.000 1.143 172 T CB 0.102 68.851 68.868 -0.198 0.000 1.003 172 T HN 0.677 nan 8.240 nan 0.000 0.540 173 D N 2.980 123.299 120.400 -0.135 0.000 2.371 173 D HA -0.060 4.581 4.640 0.001 0.000 0.221 173 D C 1.063 177.123 176.300 -0.401 0.000 0.986 173 D CA 0.279 54.121 54.000 -0.262 0.000 0.899 173 D CB -0.067 40.690 40.800 -0.072 0.000 0.902 173 D HN 0.556 nan 8.370 nan 0.000 0.530 174 D N 0.738 120.961 120.400 -0.296 0.000 2.310 174 D HA -0.093 4.548 4.640 0.001 0.000 0.212 174 D C 1.583 177.654 176.300 -0.382 0.000 0.965 174 D CA 0.796 54.643 54.000 -0.254 0.000 0.879 174 D CB -0.185 40.559 40.800 -0.093 0.000 0.921 174 D HN 0.205 nan 8.370 nan 0.000 0.510 175 T N 0.671 114.867 114.554 -0.598 0.000 2.649 175 T HA -0.245 4.105 4.350 0.001 0.000 0.268 175 T C 1.959 176.142 174.700 -0.861 0.000 1.036 175 T CA 1.806 63.482 62.100 -0.707 0.000 1.157 175 T CB -0.241 68.032 68.868 -0.990 0.000 0.861 175 T HN 0.257 nan 8.240 nan 0.000 0.445 176 A N 0.599 122.708 122.820 -1.186 0.000 2.067 176 A HA 0.016 4.337 4.320 0.001 0.000 0.219 176 A C 2.188 179.561 177.584 -0.352 0.000 1.158 176 A CA 1.592 53.049 52.037 -0.967 0.000 0.661 176 A CB -0.384 18.203 19.000 -0.689 0.000 0.801 176 A HN 0.474 nan 8.150 nan 0.000 0.452 177 K N 0.062 120.304 120.400 -0.264 0.000 2.186 177 K HA 0.070 4.391 4.320 0.001 0.000 0.202 177 K C 1.689 178.286 176.600 -0.005 0.000 1.052 177 K CA 1.279 57.509 56.287 -0.095 0.000 0.965 177 K CB -0.156 32.279 32.500 -0.108 0.000 0.746 177 K HN 0.667 nan 8.250 nan 0.000 0.457 178 I N -3.181 117.378 120.570 -0.018 0.000 3.265 178 I HA 0.255 4.426 4.170 0.001 0.000 0.282 178 I C 1.136 177.323 176.117 0.117 0.000 1.207 178 I CA -0.065 61.275 61.300 0.066 0.000 1.449 178 I CB -0.279 37.770 38.000 0.081 0.000 1.121 178 I HN -0.056 nan 8.210 nan 0.000 0.442 179 G N 1.577 110.487 108.800 0.183 0.000 2.510 179 G HA2 0.068 4.029 3.960 0.001 0.000 0.280 179 G HA3 0.068 4.029 3.960 0.001 0.000 0.280 179 G C -0.563 174.469 174.900 0.220 0.000 1.386 179 G CA -0.466 44.815 45.100 0.302 0.000 1.047 179 G HN 0.271 nan 8.290 nan 0.000 0.527 180 N N 0.822 119.545 118.700 0.039 0.000 2.431 180 N HA 0.170 4.911 4.740 0.001 0.000 0.265 180 N C -1.218 174.178 175.510 -0.191 0.000 1.184 180 N CA -2.004 50.895 53.050 -0.252 0.000 0.943 180 N CB 1.620 39.674 38.487 -0.723 0.000 1.080 180 N HN -0.039 nan 8.380 nan 0.000 0.477 181 P HA -0.108 nan 4.420 nan 0.000 0.220 181 P C 0.414 177.697 177.300 -0.029 0.000 1.148 181 P CA 1.211 64.353 63.100 0.071 0.000 0.803 181 P CB 0.362 32.070 31.700 0.013 0.000 0.782 182 E N -1.458 118.633 120.200 -0.182 0.000 2.268 182 E HA -0.156 4.195 4.350 0.001 0.000 0.195 182 E C 1.460 178.037 176.600 -0.039 0.000 0.995 182 E CA 0.708 57.033 56.400 -0.126 0.000 0.836 182 E CB -0.359 29.238 29.700 -0.171 0.000 0.763 182 E HN 0.335 nan 8.360 nan 0.000 0.491 183 Y N -1.164 118.943 120.300 -0.321 0.000 2.516 183 Y HA -0.044 4.507 4.550 0.001 0.000 0.291 183 Y C 1.112 176.699 175.900 -0.523 0.000 1.131 183 Y CA 0.300 58.104 58.100 -0.493 0.000 1.281 183 Y CB -0.019 37.995 38.460 -0.742 0.000 1.013 183 Y HN 0.038 nan 8.280 nan 0.000 0.554 184 F N -1.280 118.789 119.950 0.199 0.000 2.683 184 F HA 0.163 4.691 4.527 0.001 0.000 0.306 184 F C 1.963 177.816 175.800 0.088 0.000 1.102 184 F CA -0.056 58.029 58.000 0.141 0.000 1.244 184 F CB -0.952 38.135 39.000 0.144 0.000 1.029 184 F HN -0.110 nan 8.300 nan 0.000 0.545 185 T N -2.960 111.700 114.554 0.177 0.000 2.788 185 T HA -0.211 4.140 4.350 0.001 0.000 0.268 185 T C 1.226 175.985 174.700 0.100 0.000 1.044 185 T CA 1.780 63.950 62.100 0.115 0.000 1.139 185 T CB -0.153 68.754 68.868 0.065 0.000 0.867 185 T HN 0.072 nan 8.240 nan 0.000 0.454 186 D N 0.301 120.758 120.400 0.096 0.000 2.643 186 D HA 0.401 5.041 4.640 0.001 0.000 0.244 186 D C -0.695 175.651 176.300 0.077 0.000 1.257 186 D CA -0.477 53.564 54.000 0.069 0.000 0.831 186 D CB -0.327 40.495 40.800 0.038 0.000 1.043 186 D HN 0.469 nan 8.370 nan 0.000 0.488 187 I N 0.523 121.168 120.570 0.126 0.000 2.582 187 I HA 0.352 4.523 4.170 0.001 0.000 0.292 187 I C -0.350 175.811 176.117 0.074 0.000 1.066 187 I CA -0.837 60.518 61.300 0.092 0.000 1.053 187 I CB 2.549 40.656 38.000 0.178 0.000 1.241 187 I HN -0.210 nan 8.210 nan 0.000 0.421 188 E N 4.477 124.676 120.200 -0.001 0.000 2.222 188 E HA 0.532 4.882 4.350 0.001 0.000 0.267 188 E C -1.630 174.923 176.600 -0.078 0.000 0.884 188 E CA -0.621 55.797 56.400 0.031 0.000 0.764 188 E CB 1.719 31.440 29.700 0.035 0.000 1.169 188 E HN 0.260 nan 8.360 nan 0.000 0.413 189 F N 2.594 122.535 119.950 -0.014 0.000 2.391 189 F HA 0.376 4.904 4.527 0.001 0.000 0.359 189 F C 0.856 176.670 175.800 0.024 0.000 1.122 189 F CA -0.605 57.397 58.000 0.004 0.000 1.120 189 F CB 0.960 39.896 39.000 -0.106 0.000 1.142 189 F HN 0.220 nan 8.300 nan 0.000 0.483 190 R N 2.811 123.429 120.500 0.196 0.000 2.594 190 R HA 0.130 4.471 4.340 0.001 0.000 0.272 190 R C 0.237 176.616 176.300 0.132 0.000 1.074 190 R CA -0.685 55.487 56.100 0.120 0.000 1.105 190 R CB 0.614 30.982 30.300 0.113 0.000 1.008 190 R HN 0.628 nan 8.270 nan 0.000 0.472 191 K N 5.260 125.704 120.400 0.072 0.000 2.466 191 K HA -0.010 4.311 4.320 0.001 0.000 0.278 191 K C -1.648 174.996 176.600 0.073 0.000 1.048 191 K CA -1.014 55.304 56.287 0.051 0.000 1.088 191 K CB 0.743 33.252 32.500 0.016 0.000 0.884 191 K HN 0.352 nan 8.250 nan 0.000 0.478 192 P HA -0.186 nan 4.420 nan 0.000 0.218 192 P C 0.749 178.097 177.300 0.081 0.000 1.149 192 P CA 1.309 64.469 63.100 0.099 0.000 0.817 192 P CB 0.077 31.836 31.700 0.098 0.000 0.785 193 A N 0.512 123.364 122.820 0.055 0.000 1.902 193 A HA -0.197 4.124 4.320 0.001 0.000 0.217 193 A C 2.016 179.628 177.584 0.048 0.000 1.181 193 A CA 1.995 54.059 52.037 0.045 0.000 0.623 193 A CB -1.298 17.718 19.000 0.026 0.000 0.818 193 A HN 0.073 nan 8.150 nan 0.000 0.443 194 D N -0.567 119.860 120.400 0.045 0.000 2.097 194 D HA -0.151 4.490 4.640 0.001 0.000 0.195 194 D C 1.883 178.223 176.300 0.068 0.000 0.989 194 D CA 1.694 55.721 54.000 0.044 0.000 0.827 194 D CB -0.401 40.418 40.800 0.032 0.000 0.966 194 D HN 0.587 nan 8.370 nan 0.000 0.456 195 E N 0.710 120.968 120.200 0.095 0.000 2.118 195 E HA -0.124 4.227 4.350 0.001 0.000 0.195 195 E C 1.873 178.547 176.600 0.124 0.000 0.992 195 E CA 1.334 57.814 56.400 0.134 0.000 0.804 195 E CB -0.226 29.581 29.700 0.178 0.000 0.741 195 E HN 0.194 nan 8.360 nan 0.000 0.458 196 A N 0.756 123.637 122.820 0.101 0.000 1.902 196 A HA -0.217 4.104 4.320 0.001 0.000 0.217 196 A C 2.032 179.657 177.584 0.067 0.000 1.181 196 A CA 1.798 53.889 52.037 0.090 0.000 0.623 196 A CB -0.446 18.598 19.000 0.073 0.000 0.818 196 A HN 0.198 nan 8.150 nan 0.000 0.443 197 K N -0.347 120.086 120.400 0.054 0.000 2.044 197 K HA -0.138 4.183 4.320 0.001 0.000 0.210 197 K C 1.865 178.492 176.600 0.044 0.000 1.049 197 K CA 1.671 57.981 56.287 0.039 0.000 0.927 197 K CB -0.451 32.068 32.500 0.032 0.000 0.713 197 K HN 0.490 nan 8.250 nan 0.000 0.443 198 L N 0.336 121.598 121.223 0.065 0.000 2.056 198 L HA -0.161 4.180 4.340 0.001 0.000 0.207 198 L C 2.367 179.292 176.870 0.091 0.000 1.078 198 L CA 0.812 55.699 54.840 0.077 0.000 0.749 198 L CB -0.410 41.709 42.059 0.100 0.000 0.901 198 L HN 0.005 nan 8.230 nan 0.000 0.433 199 V N 0.017 120.001 119.914 0.117 0.000 2.453 199 V HA -0.237 3.884 4.120 0.001 0.000 0.247 199 V C 2.324 178.408 176.094 -0.016 0.000 1.048 199 V CA 1.486 63.864 62.300 0.130 0.000 1.049 199 V CB -0.143 31.818 31.823 0.229 0.000 0.672 199 V HN 0.275 nan 8.190 nan 0.000 0.457 200 I N -0.325 120.239 120.570 -0.010 0.000 2.163 200 I HA -0.337 3.833 4.170 0.001 0.000 0.243 200 I C 2.716 178.801 176.117 -0.054 0.000 1.085 200 I CA 1.737 63.007 61.300 -0.050 0.000 1.347 200 I CB -0.357 37.633 38.000 -0.017 0.000 1.044 200 I HN 0.365 nan 8.210 nan 0.000 0.408 201 Q N 0.066 119.855 119.800 -0.018 0.000 2.061 201 Q HA -0.301 4.040 4.340 0.001 0.000 0.204 201 Q C 2.205 178.191 176.000 -0.023 0.000 0.984 201 Q CA 2.005 57.801 55.803 -0.012 0.000 0.846 201 Q CB -0.265 28.479 28.738 0.009 0.000 0.902 201 Q HN 0.529 nan 8.270 nan 0.000 0.421 202 E N 0.762 120.954 120.200 -0.014 0.000 2.077 202 E HA -0.199 4.152 4.350 0.001 0.000 0.193 202 E C 2.054 178.598 176.600 -0.093 0.000 0.989 202 E CA 0.706 57.101 56.400 -0.009 0.000 0.800 202 E CB -0.045 29.699 29.700 0.073 0.000 0.746 202 E HN 0.308 nan 8.360 nan 0.000 0.452 203 L N 0.528 121.624 121.223 -0.212 0.000 2.042 203 L HA -0.235 4.106 4.340 0.001 0.000 0.210 203 L C 2.719 179.491 176.870 -0.164 0.000 1.076 203 L CA 1.495 56.149 54.840 -0.310 0.000 0.749 203 L CB -0.342 41.463 42.059 -0.423 0.000 0.893 203 L HN 0.230 nan 8.230 nan 0.000 0.432 204 Q N -0.786 118.950 119.800 -0.108 0.000 2.291 204 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 204 Q C 1.792 177.767 176.000 -0.041 0.000 0.976 204 Q CA 0.929 56.695 55.803 -0.062 0.000 0.875 204 Q CB 0.105 28.819 28.738 -0.040 0.000 0.927 204 Q HN 0.486 nan 8.270 nan 0.000 0.450 205 Q N -1.116 118.661 119.800 -0.038 0.000 2.319 205 Q HA 0.052 4.393 4.340 0.001 0.000 0.209 205 Q C 1.308 177.299 176.000 -0.016 0.000 0.884 205 Q CA 1.017 56.809 55.803 -0.019 0.000 0.938 205 Q CB 1.169 29.903 28.738 -0.007 0.000 1.098 205 Q HN 0.478 nan 8.270 nan 0.000 0.517 206 T N -2.676 111.860 114.554 -0.030 0.000 3.364 206 T HA 0.159 4.510 4.350 0.001 0.000 0.179 206 T C 1.441 176.123 174.700 -0.030 0.000 0.939 206 T CA -0.266 61.825 62.100 -0.016 0.000 1.094 206 T CB -0.022 68.850 68.868 0.008 0.000 1.532 206 T HN -0.155 nan 8.240 nan 0.000 0.346 207 E N 1.694 121.858 120.200 -0.059 0.000 2.204 207 E HA 0.000 4.351 4.350 0.001 0.000 0.194 207 E C 0.003 176.564 176.600 -0.065 0.000 0.989 207 E CA 0.467 56.831 56.400 -0.061 0.000 0.824 207 E CB -0.284 29.351 29.700 -0.108 0.000 0.756 207 E HN 0.574 nan 8.360 nan 0.000 0.477 208 K N 1.070 121.423 120.400 -0.079 0.000 3.419 208 K HA -0.136 4.185 4.320 0.001 0.000 0.272 208 K C -2.396 174.177 176.600 -0.044 0.000 0.973 208 K CA 0.173 56.428 56.287 -0.053 0.000 0.749 208 K CB -1.173 31.310 32.500 -0.028 0.000 1.403 208 K HN 0.249 nan 8.250 nan 0.000 0.456 209 P HA -0.022 nan 4.420 nan 0.000 0.269 209 P C 0.094 177.388 177.300 -0.011 0.000 1.209 209 P CA -0.014 63.050 63.100 -0.059 0.000 0.776 209 P CB 0.655 32.296 31.700 -0.098 0.000 0.876 210 D N 1.055 121.454 120.400 -0.002 0.000 2.178 210 D HA 0.017 4.658 4.640 0.001 0.000 0.202 210 D C 0.757 177.098 176.300 0.068 0.000 0.974 210 D CA 1.452 55.498 54.000 0.077 0.000 0.841 210 D CB 0.274 41.041 40.800 -0.055 0.000 0.953 210 D HN 0.393 nan 8.370 nan 0.000 0.478 211 I N 0.911 121.454 120.570 -0.044 0.000 2.569 211 I HA 0.282 4.453 4.170 0.001 0.000 0.290 211 I C -0.762 175.323 176.117 -0.054 0.000 1.088 211 I CA -0.565 60.704 61.300 -0.051 0.000 1.047 211 I CB 2.748 40.661 38.000 -0.145 0.000 1.237 211 I HN -0.316 nan 8.210 nan 0.000 0.421 212 I N 6.815 127.359 120.570 -0.043 0.000 2.406 212 I HA 0.534 4.704 4.170 0.001 0.000 0.290 212 I C -0.669 175.431 176.117 -0.027 0.000 0.999 212 I CA -0.551 60.727 61.300 -0.037 0.000 1.124 212 I CB 1.932 39.907 38.000 -0.042 0.000 1.289 212 I HN 0.354 nan 8.210 nan 0.000 0.441 213 I N 4.715 125.284 120.570 -0.002 0.000 2.545 213 I HA 0.548 4.719 4.170 0.001 0.000 0.292 213 I C -0.061 176.086 176.117 0.051 0.000 1.040 213 I CA -0.622 60.681 61.300 0.005 0.000 1.068 213 I CB 2.207 40.196 38.000 -0.018 0.000 1.251 213 I HN 0.633 nan 8.210 nan 0.000 0.424 214 A N 5.014 127.867 122.820 0.055 0.000 2.260 214 A HA 0.811 5.131 4.320 0.001 0.000 0.308 214 A C -0.129 177.507 177.584 0.086 0.000 1.254 214 A CA -0.455 51.632 52.037 0.082 0.000 0.874 214 A CB 0.757 19.803 19.000 0.077 0.000 1.153 214 A HN 0.762 nan 8.150 nan 0.000 0.527 215 A N 3.044 125.934 122.820 0.116 0.000 2.252 215 A HA 0.684 5.005 4.320 0.001 0.000 0.309 215 A C 0.458 178.125 177.584 0.139 0.000 1.285 215 A CA 0.208 52.321 52.037 0.126 0.000 0.900 215 A CB -0.078 19.012 19.000 0.150 0.000 1.157 215 A HN 1.492 nan 8.150 nan 0.000 0.536 216 T N -0.376 114.256 114.554 0.130 0.000 2.906 216 T HA 0.570 4.921 4.350 0.001 0.000 0.295 216 T C -0.755 174.046 174.700 0.168 0.000 1.061 216 T CA -0.480 61.705 62.100 0.142 0.000 1.000 216 T CB 1.393 70.323 68.868 0.104 0.000 1.103 216 T HN 0.669 nan 8.240 nan 0.000 0.486 217 H N 1.601 120.728 119.070 0.095 0.000 2.423 217 H HA 0.591 5.148 4.556 0.001 0.000 0.237 217 H C 0.225 175.566 175.328 0.022 0.000 1.391 217 H CA -0.569 55.539 56.048 0.100 0.000 1.453 217 H CB 0.151 29.983 29.762 0.117 0.000 1.484 217 H HN 0.659 nan 8.280 nan 0.000 0.505 218 M N 1.292 120.917 119.600 0.042 0.000 2.180 218 M HA 0.316 4.797 4.480 0.001 0.000 0.266 218 M C 0.385 176.747 176.300 0.103 0.000 1.200 218 M CA 0.676 56.007 55.300 0.052 0.000 1.101 218 M CB 1.598 34.238 32.600 0.067 0.000 1.769 218 M HN 0.610 nan 8.290 nan 0.000 0.609 219 G N 0.911 109.710 108.800 -0.001 0.000 2.770 219 G HA2 -0.130 3.831 3.960 0.001 0.000 0.686 219 G HA3 -0.130 3.831 3.960 0.001 0.000 0.686 219 G C -1.426 173.176 174.900 -0.497 0.000 1.180 219 G CA -0.878 44.081 45.100 -0.234 0.000 0.767 219 G HN 0.451 nan 8.290 nan 0.000 0.646 220 H N 1.453 120.145 119.070 -0.630 0.000 2.556 220 H HA 0.616 5.173 4.556 0.001 0.000 0.310 220 H C -0.969 173.958 175.328 -0.668 0.000 1.057 220 H CA -0.244 55.504 56.048 -0.500 0.000 1.264 220 H CB 0.732 30.344 29.762 -0.250 0.000 1.404 220 H HN 0.436 nan 8.280 nan 0.000 0.462 221 Y N 2.613 122.732 120.300 -0.302 0.000 2.350 221 Y HA 0.125 4.676 4.550 0.001 0.000 0.338 221 Y C 0.244 175.972 175.900 -0.287 0.000 0.961 221 Y CA -1.267 56.737 58.100 -0.160 0.000 1.100 221 Y CB 0.936 39.369 38.460 -0.045 0.000 1.179 221 Y HN 0.549 nan 8.280 nan 0.000 0.454 222 D N 2.845 123.268 120.400 0.038 0.000 2.586 222 D HA -0.091 4.549 4.640 0.001 0.000 0.234 222 D C 0.816 177.112 176.300 -0.007 0.000 1.132 222 D CA 1.184 55.205 54.000 0.036 0.000 0.860 222 D CB 0.155 40.998 40.800 0.073 0.000 1.159 222 D HN 0.702 nan 8.370 nan 0.000 0.490 223 N N 1.764 120.448 118.700 -0.028 0.000 2.714 223 N HA -0.236 4.505 4.740 0.001 0.000 0.250 223 N C 0.779 176.273 175.510 -0.026 0.000 1.117 223 N CA 1.734 54.768 53.050 -0.026 0.000 0.719 223 N CB -1.068 37.409 38.487 -0.017 0.000 1.081 223 N HN 0.755 nan 8.380 nan 0.000 0.557 224 G N -0.761 108.025 108.800 -0.024 0.000 2.203 224 G HA2 -0.337 3.623 3.960 0.001 0.000 0.263 224 G HA3 -0.337 3.623 3.960 0.001 0.000 0.263 224 G C -0.154 174.753 174.900 0.012 0.000 1.012 224 G CA 0.582 45.712 45.100 0.049 0.000 0.749 224 G HN 0.669 nan 8.290 nan 0.000 0.512 225 E N 0.094 120.275 120.200 -0.031 0.000 1.964 225 E HA 0.340 4.690 4.350 0.001 0.000 0.264 225 E C 1.312 177.761 176.600 -0.252 0.000 1.120 225 E CA -0.132 56.163 56.400 -0.175 0.000 1.061 225 E CB -0.075 29.561 29.700 -0.106 0.000 1.190 225 E HN 0.841 nan 8.360 nan 0.000 0.459 226 H N 0.767 119.687 119.070 -0.251 0.000 2.529 226 H HA 0.185 4.741 4.556 0.001 0.000 0.277 226 H C 1.370 176.387 175.328 -0.519 0.000 0.999 226 H CA 0.270 55.895 56.048 -0.705 0.000 1.256 226 H CB 0.074 29.514 29.762 -0.537 0.000 1.402 226 H HN 0.470 nan 8.280 nan 0.000 0.566 227 G N 0.381 108.922 108.800 -0.431 0.000 2.591 227 G HA2 -0.427 3.534 3.960 0.001 0.000 0.298 227 G HA3 -0.427 3.534 3.960 0.001 0.000 0.298 227 G C 1.413 176.268 174.900 -0.076 0.000 1.195 227 G CA 0.801 45.769 45.100 -0.221 0.000 0.989 227 G HN 0.469 nan 8.290 nan 0.000 0.551 228 S N 1.920 117.576 115.700 -0.074 0.000 2.527 228 S HA 0.097 4.568 4.470 0.001 0.000 0.222 228 S C 1.043 175.622 174.600 -0.035 0.000 0.985 228 S CA 0.345 58.519 58.200 -0.043 0.000 0.921 228 S CB -0.249 62.916 63.200 -0.059 0.000 0.772 228 S HN 0.556 nan 8.310 nan 0.000 0.529 229 N N 2.134 120.792 118.700 -0.069 0.000 2.482 229 N HA 0.287 5.028 4.740 0.001 0.000 0.260 229 N C -0.013 175.443 175.510 -0.090 0.000 1.236 229 N CA 0.064 53.076 53.050 -0.063 0.000 0.938 229 N CB 0.551 38.951 38.487 -0.145 0.000 1.128 229 N HN 0.205 nan 8.380 nan 0.000 0.448 230 A N 2.237 125.006 122.820 -0.084 0.000 2.445 230 A HA 0.255 4.576 4.320 0.001 0.000 0.242 230 A C -2.015 175.414 177.584 -0.258 0.000 1.075 230 A CA -0.860 51.071 52.037 -0.176 0.000 0.777 230 A CB -0.465 18.472 19.000 -0.105 0.000 1.013 230 A HN 0.415 nan 8.150 nan 0.000 0.493 231 P HA 0.175 nan 4.420 nan 0.000 0.264 231 P C 0.564 177.857 177.300 -0.011 0.000 1.183 231 P CA 0.925 63.780 63.100 -0.409 0.000 0.763 231 P CB 0.702 32.192 31.700 -0.350 0.000 0.807 232 G N 1.633 110.532 108.800 0.164 0.000 3.122 232 G HA2 0.139 4.100 3.960 0.001 0.000 0.180 232 G HA3 0.139 4.100 3.960 0.001 0.000 0.180 232 G C 0.386 175.332 174.900 0.077 0.000 1.279 232 G CA -0.323 44.882 45.100 0.176 0.000 0.987 232 G HN 0.280 nan 8.290 nan 0.000 0.589 233 D N -0.617 119.799 120.400 0.028 0.000 2.104 233 D HA -0.132 4.508 4.640 0.001 0.000 0.194 233 D C 2.740 179.044 176.300 0.007 0.000 0.994 233 D CA 1.048 55.059 54.000 0.019 0.000 0.830 233 D CB -0.377 40.437 40.800 0.025 0.000 0.959 233 D HN 0.043 nan 8.370 nan 0.000 0.452 234 V N 1.241 121.131 119.914 -0.041 0.000 2.287 234 V HA -0.258 3.862 4.120 0.001 0.000 0.248 234 V C 2.262 178.355 176.094 -0.002 0.000 1.053 234 V CA 1.896 64.166 62.300 -0.050 0.000 1.027 234 V CB -0.529 31.208 31.823 -0.143 0.000 0.646 234 V HN 0.124 nan 8.190 nan 0.000 0.447 235 E N -0.267 119.953 120.200 0.034 0.000 2.077 235 E HA -0.248 4.103 4.350 0.001 0.000 0.193 235 E C 2.088 178.703 176.600 0.026 0.000 0.989 235 E CA 1.660 58.087 56.400 0.046 0.000 0.800 235 E CB -0.409 29.340 29.700 0.083 0.000 0.746 235 E HN 0.595 nan 8.360 nan 0.000 0.452 236 M N 0.519 120.135 119.600 0.026 0.000 2.117 236 M HA -0.159 4.321 4.480 0.001 0.000 0.262 236 M C 2.174 178.483 176.300 0.015 0.000 1.065 236 M CA 1.943 57.257 55.300 0.023 0.000 1.114 236 M CB -0.052 32.568 32.600 0.033 0.000 1.361 236 M HN 0.189 nan 8.290 nan 0.000 0.408 237 A N 0.569 123.395 122.820 0.010 0.000 1.933 237 A HA -0.170 4.150 4.320 0.001 0.000 0.218 237 A C 2.096 179.673 177.584 -0.012 0.000 1.175 237 A CA 1.754 53.790 52.037 -0.002 0.000 0.628 237 A CB -0.638 18.356 19.000 -0.010 0.000 0.814 237 A HN 0.627 nan 8.150 nan 0.000 0.444 238 R N -0.869 119.625 120.500 -0.010 0.000 2.153 238 R HA 0.078 4.419 4.340 0.001 0.000 0.218 238 R C 2.248 178.544 176.300 -0.007 0.000 1.072 238 R CA 0.940 57.032 56.100 -0.013 0.000 0.990 238 R CB -0.252 30.043 30.300 -0.009 0.000 0.889 238 R HN 0.493 nan 8.270 nan 0.000 0.452 239 A N 0.869 123.689 122.820 0.001 0.000 2.072 239 A HA 0.120 4.441 4.320 0.001 0.000 0.216 239 A C 0.985 178.570 177.584 0.003 0.000 1.156 239 A CA 0.240 52.280 52.037 0.004 0.000 0.701 239 A CB -0.007 18.999 19.000 0.009 0.000 0.816 239 A HN 0.056 nan 8.150 nan 0.000 0.458 240 L N 0.151 121.375 121.223 0.002 0.000 2.439 240 L HA 0.282 4.623 4.340 0.001 0.000 0.261 240 L C -2.286 174.581 176.870 -0.005 0.000 1.153 240 L CA -2.172 52.669 54.840 0.002 0.000 0.808 240 L CB 0.067 42.129 42.059 0.005 0.000 1.126 240 L HN -0.025 nan 8.230 nan 0.000 0.460 241 P HA -0.018 nan 4.420 nan 0.000 0.264 241 P C -0.667 176.625 177.300 -0.014 0.000 1.183 241 P CA -0.132 62.963 63.100 -0.009 0.000 0.763 241 P CB 0.458 32.154 31.700 -0.006 0.000 0.807 242 A N 3.985 126.793 122.820 -0.020 0.000 2.591 242 A HA 0.314 4.635 4.320 0.001 0.000 0.244 242 A C 1.643 179.214 177.584 -0.022 0.000 1.031 242 A CA 0.814 52.834 52.037 -0.028 0.000 0.767 242 A CB -1.404 17.578 19.000 -0.030 0.000 0.942 242 A HN 0.941 nan 8.150 nan 0.000 0.514 243 G N 1.692 110.477 108.800 -0.026 0.000 2.166 243 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 243 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 243 G C 1.192 176.090 174.900 -0.004 0.000 0.986 243 G CA 1.315 46.407 45.100 -0.013 0.000 0.683 243 G HN 2.167 nan 8.290 nan 0.000 0.527 244 S N -1.162 114.534 115.700 -0.006 0.000 2.406 244 S HA 0.331 4.802 4.470 0.001 0.000 0.228 244 S C 0.991 175.589 174.600 -0.003 0.000 1.020 244 S CA 0.991 59.188 58.200 -0.005 0.000 0.965 244 S CB 0.137 63.334 63.200 -0.005 0.000 0.798 244 S HN 0.667 nan 8.310 nan 0.000 0.488 245 L N 0.522 121.747 121.223 0.002 0.000 2.365 245 L HA 0.670 5.011 4.340 0.001 0.000 0.273 245 L C 1.230 178.109 176.870 0.016 0.000 1.000 245 L CA -0.450 54.394 54.840 0.006 0.000 0.819 245 L CB 1.678 43.747 42.059 0.017 0.000 1.284 245 L HN 0.114 nan 8.230 nan 0.000 0.418 246 A N 4.411 127.227 122.820 -0.007 0.000 1.877 246 A HA 0.021 4.342 4.320 0.001 0.000 0.216 246 A C 0.713 178.360 177.584 0.104 0.000 1.186 246 A CA 1.544 53.574 52.037 -0.012 0.000 0.620 246 A CB -0.073 18.795 19.000 -0.220 0.000 0.822 246 A HN 0.777 nan 8.150 nan 0.000 0.443 247 M N -3.015 116.625 119.600 0.065 0.000 2.682 247 M HA 0.655 5.136 4.480 0.001 0.000 0.272 247 M C -1.969 174.374 176.300 0.072 0.000 1.232 247 M CA -0.632 54.755 55.300 0.145 0.000 0.849 247 M CB 1.619 34.347 32.600 0.214 0.000 1.695 247 M HN -0.075 nan 8.290 nan 0.000 0.481 248 I N 2.212 122.826 120.570 0.073 0.000 2.362 248 I HA 0.463 4.634 4.170 0.001 0.000 0.289 248 I C -0.804 175.312 176.117 -0.002 0.000 0.994 248 I CA -1.126 60.199 61.300 0.041 0.000 1.158 248 I CB 1.998 40.026 38.000 0.048 0.000 1.315 248 I HN 0.443 nan 8.210 nan 0.000 0.451 249 V N 6.331 126.238 119.914 -0.013 0.000 2.348 249 V HA 0.513 4.634 4.120 0.001 0.000 0.270 249 V C 0.761 176.874 176.094 0.032 0.000 1.037 249 V CA -0.164 62.101 62.300 -0.059 0.000 0.872 249 V CB 0.763 32.569 31.823 -0.028 0.000 1.002 249 V HN 0.931 nan 8.190 nan 0.000 0.464 250 G N 2.938 111.758 108.800 0.034 0.000 2.938 250 G HA2 0.919 4.880 3.960 0.001 0.000 0.258 250 G HA3 0.919 4.880 3.960 0.001 0.000 0.258 250 G C -0.143 174.780 174.900 0.039 0.000 1.356 250 G CA -0.268 44.855 45.100 0.040 0.000 1.052 250 G HN 1.128 nan 8.290 nan 0.000 0.550 251 G N -3.604 105.172 108.800 -0.041 0.000 2.340 251 G HA2 0.520 4.481 3.960 0.001 0.000 0.299 251 G HA3 0.520 4.481 3.960 0.001 0.000 0.299 251 G C -0.179 174.566 174.900 -0.259 0.000 1.291 251 G CA 0.929 45.947 45.100 -0.136 0.000 0.841 251 G HN 1.729 nan 8.290 nan 0.000 0.500 252 H N -1.485 117.253 119.070 -0.554 0.000 4.784 252 H HA -0.335 4.221 4.556 0.001 0.000 0.074 252 H C 2.367 177.675 175.328 -0.033 0.000 0.597 252 H CA 3.874 59.706 56.048 -0.360 0.000 0.998 252 H CB -1.371 28.159 29.762 -0.386 0.000 0.434 252 H HN 1.250 nan 8.280 nan 0.000 0.784 253 S N 0.994 116.628 115.700 -0.109 0.000 2.447 253 S HA -0.060 4.411 4.470 0.001 0.000 0.233 253 S C 0.879 175.434 174.600 -0.074 0.000 1.006 253 S CA 1.150 59.283 58.200 -0.112 0.000 0.957 253 S CB -0.041 63.039 63.200 -0.200 0.000 0.773 253 S HN 0.709 nan 8.310 nan 0.000 0.507 254 Q N 1.486 121.256 119.800 -0.049 0.000 2.455 254 Q HA -0.109 4.231 4.340 0.001 0.000 0.343 254 Q C -1.473 174.564 176.000 0.062 0.000 1.458 254 Q CA 0.692 56.512 55.803 0.029 0.000 0.923 254 Q CB -1.477 27.263 28.738 0.002 0.000 1.149 254 Q HN 0.665 nan 8.270 nan 0.000 0.357 255 D N 0.777 121.143 120.400 -0.057 0.000 2.527 255 D HA 0.389 5.030 4.640 0.001 0.000 0.233 255 D C -2.593 173.541 176.300 -0.276 0.000 1.063 255 D CA -1.621 52.226 54.000 -0.256 0.000 0.880 255 D CB 1.968 42.642 40.800 -0.211 0.000 1.457 255 D HN -0.073 nan 8.370 nan 0.000 0.475 256 P HA 0.096 nan 4.420 nan 0.000 0.281 256 P C 0.005 177.026 177.300 -0.466 0.000 1.286 256 P CA -0.393 62.420 63.100 -0.479 0.000 0.772 256 P CB 0.659 31.921 31.700 -0.731 0.000 0.862 257 V N 5.294 124.974 119.914 -0.389 0.000 2.287 257 V HA 0.043 4.164 4.120 0.001 0.000 0.246 257 V C 0.192 176.041 176.094 -0.409 0.000 1.165 257 V CA 0.366 62.401 62.300 -0.441 0.000 1.088 257 V CB -0.851 30.684 31.823 -0.480 0.000 1.242 257 V HN 0.632 nan 8.190 nan 0.000 0.497 258 c N 6.615 124.971 118.600 -0.407 0.000 2.344 258 c HA 0.576 5.147 4.570 0.001 0.000 0.326 258 c C 0.148 174.129 174.090 -0.181 0.000 1.201 258 c CA -1.174 54.959 56.329 -0.327 0.000 1.410 258 c CB 0.886 43.072 42.510 -0.539 0.000 2.070 258 c HN 0.605 nan 8.230 nan 0.000 0.445 259 M N 2.444 121.973 119.600 -0.118 0.000 2.180 259 M HA 0.295 4.776 4.480 0.001 0.000 0.358 259 M C 1.035 177.323 176.300 -0.020 0.000 1.233 259 M CA -0.453 54.809 55.300 -0.063 0.000 1.114 259 M CB 0.684 33.260 32.600 -0.041 0.000 1.594 259 M HN 0.831 nan 8.290 nan 0.000 0.467 260 A N 2.703 125.518 122.820 -0.007 0.000 1.935 260 A HA 0.557 4.878 4.320 0.001 0.000 0.214 260 A C 0.942 178.530 177.584 0.007 0.000 1.178 260 A CA 1.283 53.324 52.037 0.007 0.000 0.640 260 A CB 0.131 19.136 19.000 0.009 0.000 0.825 260 A HN 0.845 nan 8.150 nan 0.000 0.447 261 A N -1.196 121.627 122.820 0.005 0.000 2.529 261 A HA 0.568 4.888 4.320 0.001 0.000 0.296 261 A C -0.620 176.967 177.584 0.004 0.000 1.205 261 A CA -0.409 51.631 52.037 0.005 0.000 0.671 261 A CB 0.117 19.119 19.000 0.004 0.000 1.301 261 A HN 0.203 nan 8.150 nan 0.000 0.450 262 E N 1.039 121.240 120.200 0.001 0.000 2.529 262 E HA 0.003 4.354 4.350 0.001 0.000 0.259 262 E C -0.233 176.370 176.600 0.005 0.000 0.966 262 E CA 0.538 56.937 56.400 -0.002 0.000 0.937 262 E CB -0.024 29.669 29.700 -0.011 0.000 0.923 262 E HN 0.528 nan 8.360 nan 0.000 0.468 263 N N 2.844 121.552 118.700 0.014 0.000 2.693 263 N HA -0.226 4.515 4.740 0.001 0.000 0.249 263 N C -1.233 174.303 175.510 0.044 0.000 1.119 263 N CA 1.292 54.359 53.050 0.030 0.000 0.717 263 N CB -0.691 37.800 38.487 0.007 0.000 1.071 263 N HN 0.416 nan 8.380 nan 0.000 0.555 264 K N 0.590 121.015 120.400 0.042 0.000 2.668 264 K HA 0.266 4.586 4.320 0.001 0.000 0.246 264 K C -0.432 176.182 176.600 0.024 0.000 0.976 264 K CA -0.501 55.810 56.287 0.039 0.000 0.902 264 K CB 1.877 34.390 32.500 0.021 0.000 1.172 264 K HN -0.003 nan 8.250 nan 0.000 0.452 265 K N 2.156 122.574 120.400 0.030 0.000 2.485 265 K HA -0.010 4.311 4.320 0.001 0.000 0.277 265 K C -0.055 176.534 176.600 -0.019 0.000 0.990 265 K CA 0.234 56.501 56.287 -0.033 0.000 0.994 265 K CB 0.436 32.901 32.500 -0.058 0.000 0.906 265 K HN 0.462 nan 8.250 nan 0.000 0.488 266 Q N 1.061 120.846 119.800 -0.025 0.000 2.326 266 Q HA -0.095 4.246 4.340 0.001 0.000 0.314 266 Q C 0.929 176.929 176.000 0.001 0.000 1.091 266 Q CA -0.166 55.642 55.803 0.008 0.000 0.974 266 Q CB 0.613 29.387 28.738 0.059 0.000 1.220 266 Q HN 0.418 nan 8.270 nan 0.000 0.398 267 V N 1.295 121.215 119.914 0.009 0.000 2.685 267 V HA -0.067 4.054 4.120 0.001 0.000 0.244 267 V C 0.131 176.230 176.094 0.008 0.000 1.054 267 V CA 1.277 63.579 62.300 0.003 0.000 1.076 267 V CB 0.268 32.095 31.823 0.007 0.000 0.725 267 V HN 0.755 nan 8.190 nan 0.000 0.467 268 D N -0.029 120.381 120.400 0.016 0.000 2.634 268 D HA 0.171 4.812 4.640 0.001 0.000 0.318 268 D C -0.574 175.731 176.300 0.009 0.000 1.226 268 D CA -0.442 53.566 54.000 0.013 0.000 0.899 268 D CB 0.573 41.374 40.800 0.002 0.000 1.025 268 D HN 0.352 nan 8.370 nan 0.000 0.501 269 Y N 1.369 121.622 120.300 -0.079 0.000 2.810 269 Y HA -0.005 4.546 4.550 0.001 0.000 0.332 269 Y C -0.372 175.482 175.900 -0.075 0.000 1.243 269 Y CA 0.158 58.201 58.100 -0.094 0.000 1.537 269 Y CB 0.534 38.903 38.460 -0.152 0.000 1.265 269 Y HN -0.025 nan 8.280 nan 0.000 0.572 270 V N 9.573 128.957 119.914 -0.883 0.000 2.370 270 V HA 0.275 4.396 4.120 0.001 0.000 0.279 270 V C -2.075 173.410 176.094 -1.014 0.000 1.029 270 V CA -2.194 59.679 62.300 -0.710 0.000 0.870 270 V CB 1.020 32.606 31.823 -0.393 0.000 0.984 270 V HN 0.735 nan 8.190 nan 0.000 0.451 271 P HA 0.174 nan 4.420 nan 0.000 0.264 271 P C 0.996 177.977 177.300 -0.531 0.000 1.183 271 P CA 1.400 64.138 63.100 -0.603 0.000 0.763 271 P CB 0.515 31.649 31.700 -0.943 0.000 0.807 272 G N 1.262 109.967 108.800 -0.158 0.000 2.175 272 G HA2 -0.193 3.768 3.960 0.001 0.000 0.244 272 G HA3 -0.193 3.768 3.960 0.001 0.000 0.244 272 G C 0.275 175.149 174.900 -0.044 0.000 0.982 272 G CA 0.267 45.342 45.100 -0.042 0.000 0.641 272 G HN 0.834 nan 8.290 nan 0.000 0.527 273 T N -0.787 113.703 114.554 -0.108 0.000 2.944 273 T HA 0.717 5.068 4.350 0.001 0.000 0.284 273 T C -2.218 172.514 174.700 0.054 0.000 1.010 273 T CA -1.501 60.563 62.100 -0.059 0.000 1.025 273 T CB 2.302 71.085 68.868 -0.141 0.000 1.079 273 T HN 0.056 nan 8.240 nan 0.000 0.516 274 P HA 0.283 nan 4.420 nan 0.000 0.268 274 P C -0.798 176.602 177.300 0.166 0.000 1.208 274 P CA -0.556 62.593 63.100 0.081 0.000 0.777 274 P CB 0.200 31.926 31.700 0.044 0.000 0.875 275 c N 3.350 122.022 118.600 0.118 0.000 2.397 275 c HA 0.403 4.974 4.570 0.001 0.000 0.325 275 c C -0.307 173.819 174.090 0.061 0.000 1.201 275 c CA -0.728 55.635 56.329 0.056 0.000 1.377 275 c CB -0.042 42.447 42.510 -0.035 0.000 2.038 275 c HN 0.569 nan 8.230 nan 0.000 0.457 276 K N 7.573 127.963 120.400 -0.016 0.000 2.264 276 K HA 0.462 4.783 4.320 0.001 0.000 0.277 276 K C -2.290 174.238 176.600 -0.121 0.000 1.067 276 K CA -1.247 55.020 56.287 -0.033 0.000 0.900 276 K CB 1.217 33.722 32.500 0.009 0.000 1.124 276 K HN 0.537 nan 8.250 nan 0.000 0.469 277 P HA 0.048 nan 4.420 nan 0.000 0.274 277 P C -0.679 176.614 177.300 -0.012 0.000 1.246 277 P CA -0.333 62.575 63.100 -0.321 0.000 0.795 277 P CB 0.633 31.909 31.700 -0.707 0.000 1.006 278 D N -0.069 120.306 120.400 -0.041 0.000 2.313 278 D HA 0.172 4.813 4.640 0.001 0.000 0.247 278 D C -0.668 175.655 176.300 0.039 0.000 1.094 278 D CA 0.119 54.129 54.000 0.017 0.000 0.925 278 D CB 0.550 41.377 40.800 0.045 0.000 1.188 278 D HN 0.200 nan 8.370 nan 0.000 0.430 279 Q N 1.916 121.639 119.800 -0.129 0.000 2.263 279 Q HA 0.259 4.600 4.340 0.001 0.000 0.266 279 Q C -1.629 174.214 176.000 -0.262 0.000 1.002 279 Q CA -0.781 54.782 55.803 -0.402 0.000 0.790 279 Q CB 1.241 29.352 28.738 -1.045 0.000 1.272 279 Q HN 0.378 nan 8.270 nan 0.000 0.435 280 Q N 2.824 122.499 119.800 -0.207 0.000 2.275 280 Q HA 0.222 4.562 4.340 0.001 0.000 0.266 280 Q C -0.749 175.174 176.000 -0.128 0.000 1.002 280 Q CA -0.465 55.262 55.803 -0.128 0.000 0.761 280 Q CB 1.650 30.349 28.738 -0.065 0.000 1.255 280 Q HN 0.878 nan 8.270 nan 0.000 0.446 281 N N 1.509 120.137 118.700 -0.119 0.000 2.740 281 N HA -0.247 4.494 4.740 0.001 0.000 0.248 281 N C 0.613 176.052 175.510 -0.118 0.000 1.062 281 N CA 1.954 54.947 53.050 -0.096 0.000 0.704 281 N CB -1.009 37.441 38.487 -0.061 0.000 0.968 281 N HN 1.080 nan 8.380 nan 0.000 0.547 282 G N -1.429 107.260 108.800 -0.184 0.000 2.189 282 G HA2 -0.307 3.654 3.960 0.001 0.000 0.267 282 G HA3 -0.307 3.654 3.960 0.001 0.000 0.267 282 G C 0.202 174.954 174.900 -0.246 0.000 0.975 282 G CA 0.570 45.538 45.100 -0.219 0.000 0.644 282 G HN 0.591 nan 8.290 nan 0.000 0.537 283 I N 0.135 120.576 120.570 -0.216 0.000 2.339 283 I HA 0.406 4.577 4.170 0.001 0.000 0.290 283 I C 0.371 176.403 176.117 -0.143 0.000 0.994 283 I CA -1.087 60.146 61.300 -0.111 0.000 1.191 283 I CB 0.688 38.668 38.000 -0.034 0.000 1.343 283 I HN 0.119 nan 8.210 nan 0.000 0.458 284 W N 7.091 128.408 121.300 0.028 0.000 2.190 284 W HA 0.398 5.059 4.660 0.001 0.000 0.330 284 W C -0.130 176.366 176.519 -0.038 0.000 1.299 284 W CA -0.123 57.217 57.345 -0.009 0.000 1.215 284 W CB 0.366 29.845 29.460 0.032 0.000 1.147 284 W HN 0.218 nan 8.180 nan 0.000 0.563 285 I N 4.799 125.468 120.570 0.165 0.000 2.418 285 I HA 0.428 4.599 4.170 0.001 0.000 0.287 285 I C -0.201 175.885 176.117 -0.051 0.000 1.008 285 I CA -1.249 60.089 61.300 0.063 0.000 1.104 285 I CB 0.883 38.949 38.000 0.110 0.000 1.264 285 I HN 0.165 nan 8.210 nan 0.000 0.438 286 V N 2.755 122.603 119.914 -0.110 0.000 3.074 286 V HA 0.755 4.876 4.120 0.001 0.000 0.314 286 V C -0.932 175.132 176.094 -0.049 0.000 1.117 286 V CA -0.492 61.701 62.300 -0.179 0.000 1.014 286 V CB 2.045 33.669 31.823 -0.332 0.000 1.057 286 V HN 0.916 nan 8.190 nan 0.000 0.438 287 Q N 0.991 120.848 119.800 0.094 0.000 2.503 287 Q HA 0.681 5.022 4.340 0.001 0.000 0.268 287 Q C -1.022 175.051 176.000 0.122 0.000 0.982 287 Q CA -0.075 55.812 55.803 0.140 0.000 0.907 287 Q CB 2.156 30.880 28.738 -0.023 0.000 1.467 287 Q HN 1.393 nan 8.270 nan 0.000 0.394 288 A N 3.077 125.960 122.820 0.106 0.000 2.827 288 A HA 0.295 4.616 4.320 0.001 0.000 0.300 288 A C 0.289 177.980 177.584 0.178 0.000 1.237 288 A CA 0.765 52.813 52.037 0.018 0.000 0.964 288 A CB -0.601 18.323 19.000 -0.127 0.000 1.143 288 A HN 1.115 nan 8.150 nan 0.000 0.554 289 H N 0.334 119.390 119.070 -0.023 0.000 1.475 289 H HA -0.290 4.267 4.556 0.001 0.000 0.090 289 H C 0.257 175.538 175.328 -0.078 0.000 0.616 289 H CA 2.018 58.050 56.048 -0.028 0.000 1.899 289 H CB -0.880 28.943 29.762 0.101 0.000 2.253 289 H HN 0.716 nan 8.280 nan 0.000 0.961 290 E N -1.202 118.918 120.200 -0.133 0.000 2.403 290 E HA 0.153 4.504 4.350 0.001 0.000 0.280 290 E C -0.925 175.507 176.600 -0.280 0.000 1.101 290 E CA -0.176 56.040 56.400 -0.307 0.000 0.856 290 E CB 0.786 30.026 29.700 -0.767 0.000 1.303 290 E HN 0.503 nan 8.360 nan 0.000 0.441 291 W N 0.324 121.392 121.300 -0.387 0.000 3.160 291 W HA -0.175 4.486 4.660 0.001 0.000 0.299 291 W C 1.075 177.212 176.519 -0.636 0.000 1.141 291 W CA 1.933 58.811 57.345 -0.778 0.000 0.612 291 W CB -2.268 26.375 29.460 -1.363 0.000 2.186 291 W HN 1.666 nan 8.180 nan 0.000 1.364 292 G N -0.771 108.000 108.800 -0.049 0.000 2.160 292 G HA2 -0.420 3.540 3.960 0.001 0.000 0.251 292 G HA3 -0.420 3.540 3.960 0.001 0.000 0.251 292 G C 1.292 176.146 174.900 -0.076 0.000 1.008 292 G CA 0.805 45.921 45.100 0.027 0.000 0.724 292 G HN 0.425 nan 8.290 nan 0.000 0.514 293 K N -1.539 118.737 120.400 -0.208 0.000 2.148 293 K HA 0.096 4.417 4.320 0.001 0.000 0.204 293 K C 0.337 176.658 176.600 -0.464 0.000 1.050 293 K CA 1.053 57.152 56.287 -0.314 0.000 0.942 293 K CB 0.066 32.283 32.500 -0.470 0.000 0.724 293 K HN 0.568 nan 8.250 nan 0.000 0.446 294 Y N -1.126 119.176 120.300 0.002 0.000 2.512 294 Y HA 0.336 4.887 4.550 0.001 0.000 0.348 294 Y C -0.571 175.284 175.900 -0.075 0.000 0.990 294 Y CA -1.317 56.767 58.100 -0.027 0.000 1.033 294 Y CB 1.683 40.117 38.460 -0.044 0.000 1.259 294 Y HN -0.428 nan 8.280 nan 0.000 0.461 295 V N 2.359 122.309 119.914 0.060 0.000 2.347 295 V HA 0.558 4.678 4.120 0.001 0.000 0.280 295 V C 0.455 176.446 176.094 -0.173 0.000 1.021 295 V CA -0.859 61.397 62.300 -0.073 0.000 0.847 295 V CB 1.124 32.906 31.823 -0.067 0.000 0.990 295 V HN 0.961 nan 8.190 nan 0.000 0.444 296 G N 4.041 112.600 108.800 -0.401 0.000 2.442 296 G HA2 0.446 4.407 3.960 0.001 0.000 0.249 296 G HA3 0.446 4.407 3.960 0.001 0.000 0.249 296 G C -0.164 174.600 174.900 -0.226 0.000 1.263 296 G CA -0.322 44.497 45.100 -0.469 0.000 0.846 296 G HN 0.695 nan 8.290 nan 0.000 0.555 297 R N 1.682 121.950 120.500 -0.387 0.000 2.468 297 R HA 0.521 4.861 4.340 0.001 0.000 0.302 297 R C -0.658 175.447 176.300 -0.326 0.000 1.041 297 R CA -0.637 55.307 56.100 -0.261 0.000 0.899 297 R CB 1.061 31.209 30.300 -0.252 0.000 1.167 297 R HN 0.574 nan 8.270 nan 0.000 0.483 298 A N 4.409 127.219 122.820 -0.018 0.000 2.280 298 A HA 0.297 4.618 4.320 0.001 0.000 0.320 298 A C -0.878 176.634 177.584 -0.120 0.000 1.366 298 A CA -0.690 51.335 52.037 -0.019 0.000 0.938 298 A CB 0.507 19.570 19.000 0.106 0.000 1.157 298 A HN 0.689 nan 8.150 nan 0.000 0.536 299 D N 2.140 122.399 120.400 -0.234 0.000 2.295 299 D HA 0.447 5.088 4.640 0.001 0.000 0.248 299 D C -0.768 175.349 176.300 -0.305 0.000 1.154 299 D CA 0.804 54.713 54.000 -0.151 0.000 0.857 299 D CB 0.691 41.417 40.800 -0.123 0.000 1.117 299 D HN 0.353 nan 8.370 nan 0.000 0.468 300 F N 0.819 120.753 119.950 -0.026 0.000 2.492 300 F HA 0.274 4.801 4.527 0.001 0.000 0.327 300 F C 0.980 176.809 175.800 0.048 0.000 1.079 300 F CA -0.843 57.159 58.000 0.003 0.000 0.967 300 F CB 1.684 40.702 39.000 0.029 0.000 1.169 300 F HN 0.026 nan 8.300 nan 0.000 0.472 301 E N 2.425 122.789 120.200 0.272 0.000 2.151 301 E HA 0.260 4.611 4.350 0.001 0.000 0.275 301 E C -1.542 175.226 176.600 0.281 0.000 0.936 301 E CA -0.700 55.840 56.400 0.234 0.000 0.777 301 E CB 2.114 31.893 29.700 0.131 0.000 1.108 301 E HN 0.413 nan 8.360 nan 0.000 0.401 302 F N 3.593 123.620 119.950 0.127 0.000 2.427 302 F HA 0.434 4.962 4.527 0.001 0.000 0.346 302 F C -0.435 175.409 175.800 0.074 0.000 1.120 302 F CA -0.620 57.416 58.000 0.060 0.000 1.033 302 F CB 0.852 39.848 39.000 -0.007 0.000 1.126 302 F HN 0.290 nan 8.300 nan 0.000 0.462 303 R N 5.261 125.447 120.500 -0.523 0.000 2.522 303 R HA 0.267 4.608 4.340 0.001 0.000 0.283 303 R C -0.678 175.241 176.300 -0.634 0.000 1.074 303 R CA -0.526 55.331 56.100 -0.405 0.000 0.925 303 R CB 0.755 30.970 30.300 -0.142 0.000 1.205 303 R HN 0.819 nan 8.270 nan 0.000 0.436 304 N N 2.844 121.179 118.700 -0.609 0.000 2.716 304 N HA -0.227 4.514 4.740 0.001 0.000 0.250 304 N C 0.593 175.786 175.510 -0.528 0.000 1.033 304 N CA 1.867 54.657 53.050 -0.434 0.000 0.727 304 N CB -0.996 37.438 38.487 -0.089 0.000 0.950 304 N HN 1.099 nan 8.380 nan 0.000 0.541 305 G N -1.006 107.116 108.800 -1.129 0.000 2.217 305 G HA2 -0.337 3.624 3.960 0.001 0.000 0.246 305 G HA3 -0.337 3.624 3.960 0.001 0.000 0.246 305 G C -0.189 174.394 174.900 -0.529 0.000 0.990 305 G CA 0.471 45.241 45.100 -0.550 0.000 0.627 305 G HN 0.630 nan 8.290 nan 0.000 0.522 306 E N 0.833 120.626 120.200 -0.680 0.000 2.197 306 E HA 0.589 4.939 4.350 0.001 0.000 0.281 306 E C 0.222 176.670 176.600 -0.252 0.000 0.995 306 E CA -0.836 55.368 56.400 -0.327 0.000 0.808 306 E CB 0.310 29.884 29.700 -0.209 0.000 1.093 306 E HN 0.113 nan 8.360 nan 0.000 0.394 307 M N 3.912 123.513 119.600 0.002 0.000 2.113 307 M HA 0.298 4.779 4.480 0.001 0.000 0.352 307 M C -0.574 175.906 176.300 0.300 0.000 1.170 307 M CA -0.267 55.136 55.300 0.173 0.000 1.053 307 M CB 1.173 33.819 32.600 0.076 0.000 1.601 307 M HN 0.280 nan 8.290 nan 0.000 0.459 308 K N 3.876 124.483 120.400 0.345 0.000 2.358 308 K HA 0.455 4.776 4.320 0.001 0.000 0.260 308 K C -0.672 176.067 176.600 0.232 0.000 0.956 308 K CA -0.463 56.006 56.287 0.302 0.000 0.834 308 K CB 2.561 35.153 32.500 0.154 0.000 1.102 308 K HN 0.705 nan 8.250 nan 0.000 0.431 309 M N 4.306 123.917 119.600 0.019 0.000 2.184 309 M HA -0.026 4.455 4.480 0.001 0.000 0.351 309 M C 0.907 176.987 176.300 -0.365 0.000 1.395 309 M CA -0.015 54.874 55.300 -0.684 0.000 1.117 309 M CB 0.583 32.373 32.600 -1.350 0.000 1.708 309 M HN 0.554 nan 8.290 nan 0.000 0.468 310 V N 2.123 121.843 119.914 -0.322 0.000 3.431 310 V HA 0.402 4.522 4.120 0.001 0.000 0.253 310 V C -0.017 175.970 176.094 -0.179 0.000 1.184 310 V CA 0.542 62.739 62.300 -0.172 0.000 1.104 310 V CB -0.100 31.672 31.823 -0.086 0.000 0.799 310 V HN 0.922 nan 8.190 nan 0.000 0.462 311 N N -0.748 117.805 118.700 -0.245 0.000 2.446 311 N HA 0.427 5.168 4.740 0.001 0.000 0.272 311 N C -1.965 173.425 175.510 -0.199 0.000 1.127 311 N CA -0.515 52.425 53.050 -0.184 0.000 0.896 311 N CB 2.152 40.558 38.487 -0.134 0.000 1.658 311 N HN 0.306 nan 8.380 nan 0.000 0.483 312 Y N 1.962 122.097 120.300 -0.274 0.000 2.457 312 Y HA 0.461 5.012 4.550 0.001 0.000 0.343 312 Y C -1.424 174.378 175.900 -0.163 0.000 0.994 312 Y CA -0.335 57.608 58.100 -0.260 0.000 1.031 312 Y CB 1.396 39.653 38.460 -0.338 0.000 1.246 312 Y HN 0.650 nan 8.280 nan 0.000 0.449 313 Q N 5.369 124.630 119.800 -0.899 0.000 2.418 313 Q HA 0.565 4.906 4.340 0.001 0.000 0.282 313 Q C -2.162 173.416 176.000 -0.703 0.000 1.044 313 Q CA -1.204 54.262 55.803 -0.562 0.000 0.813 313 Q CB 2.906 31.487 28.738 -0.262 0.000 1.428 313 Q HN 0.737 nan 8.270 nan 0.000 0.402 314 L N 2.635 123.659 121.223 -0.331 0.000 2.262 314 L HA 0.496 4.837 4.340 0.001 0.000 0.288 314 L C -0.542 176.318 176.870 -0.015 0.000 1.035 314 L CA -0.815 53.883 54.840 -0.235 0.000 0.820 314 L CB 1.223 43.036 42.059 -0.411 0.000 1.204 314 L HN 0.654 nan 8.230 nan 0.000 0.424 315 I N 6.829 127.410 120.570 0.018 0.000 2.312 315 I HA 0.342 4.513 4.170 0.001 0.000 0.291 315 I C -2.089 174.146 176.117 0.197 0.000 1.031 315 I CA -2.035 59.312 61.300 0.078 0.000 1.293 315 I CB 1.388 39.380 38.000 -0.013 0.000 1.403 315 I HN 0.333 nan 8.210 nan 0.000 0.484 316 P HA 0.027 nan 4.420 nan 0.000 0.271 316 P C -0.736 176.565 177.300 0.001 0.000 1.216 316 P CA -0.060 63.063 63.100 0.038 0.000 0.771 316 P CB 0.775 32.501 31.700 0.042 0.000 0.864 317 V N 4.641 124.529 119.914 -0.042 0.000 2.258 317 V HA 0.128 4.249 4.120 0.001 0.000 0.258 317 V C 0.511 176.621 176.094 0.027 0.000 1.121 317 V CA -0.381 61.928 62.300 0.015 0.000 0.942 317 V CB -1.097 30.756 31.823 0.050 0.000 1.170 317 V HN 0.641 nan 8.190 nan 0.000 0.487 318 N N 2.247 120.958 118.700 0.018 0.000 2.727 318 N HA -0.173 4.568 4.740 0.001 0.000 0.249 318 N C -0.129 175.395 175.510 0.023 0.000 1.048 318 N CA 0.652 53.709 53.050 0.011 0.000 0.714 318 N CB -0.814 37.658 38.487 -0.024 0.000 0.959 318 N HN 0.594 nan 8.380 nan 0.000 0.544 319 L N -0.061 121.203 121.223 0.069 0.000 2.439 319 L HA 0.198 4.539 4.340 0.001 0.000 0.269 319 L C 0.871 177.867 176.870 0.211 0.000 1.179 319 L CA 0.371 55.294 54.840 0.138 0.000 0.828 319 L CB 0.510 42.643 42.059 0.123 0.000 1.106 319 L HN -0.023 nan 8.230 nan 0.000 0.467 320 K N 2.464 122.938 120.400 0.124 0.000 2.427 320 K HA 0.383 4.703 4.320 0.001 0.000 0.252 320 K C -1.012 175.468 176.600 -0.201 0.000 0.931 320 K CA -0.947 55.276 56.287 -0.106 0.000 0.793 320 K CB 2.731 35.164 32.500 -0.111 0.000 1.211 320 K HN 0.352 nan 8.250 nan 0.000 0.426 321 K N 2.577 122.630 120.400 -0.579 0.000 2.234 321 K HA 0.117 4.437 4.320 0.001 0.000 0.282 321 K C -0.683 175.740 176.600 -0.294 0.000 1.039 321 K CA -0.353 55.662 56.287 -0.453 0.000 0.928 321 K CB 0.903 32.993 32.500 -0.683 0.000 1.039 321 K HN 0.437 nan 8.250 nan 0.000 0.470 322 K N 4.199 124.470 120.400 -0.215 0.000 2.276 322 K HA 0.153 4.474 4.320 0.001 0.000 0.285 322 K C -0.686 175.771 176.600 -0.239 0.000 1.062 322 K CA -0.612 55.539 56.287 -0.226 0.000 0.918 322 K CB 0.822 33.202 32.500 -0.200 0.000 1.055 322 K HN 0.449 nan 8.250 nan 0.000 0.477 323 V N 0.860 120.597 119.914 -0.296 0.000 2.628 323 V HA 0.577 4.698 4.120 0.001 0.000 0.306 323 V C -0.676 175.139 176.094 -0.465 0.000 1.045 323 V CA -0.558 61.480 62.300 -0.436 0.000 0.905 323 V CB 1.828 33.272 31.823 -0.630 0.000 0.997 323 V HN 0.679 nan 8.190 nan 0.000 0.436 324 T N 4.836 119.120 114.554 -0.450 0.000 2.815 324 T HA 0.490 4.841 4.350 0.001 0.000 0.289 324 T C -0.595 173.926 174.700 -0.298 0.000 1.000 324 T CA -0.058 61.868 62.100 -0.291 0.000 0.958 324 T CB 0.536 69.321 68.868 -0.138 0.000 0.944 324 T HN 0.782 nan 8.240 nan 0.000 0.442 325 W N 1.276 122.559 121.300 -0.029 0.000 2.086 325 W HA 0.323 4.984 4.660 0.001 0.000 0.355 325 W C 1.842 178.350 176.519 -0.019 0.000 1.313 325 W CA -0.620 56.710 57.345 -0.024 0.000 1.358 325 W CB 0.456 29.902 29.460 -0.024 0.000 1.166 325 W HN 0.710 nan 8.180 nan 0.000 0.630 326 E N 0.396 120.747 120.200 0.251 0.000 2.268 326 E HA -0.232 4.119 4.350 0.001 0.000 0.195 326 E C 1.401 178.060 176.600 0.097 0.000 0.995 326 E CA 1.292 57.768 56.400 0.127 0.000 0.836 326 E CB -0.031 29.732 29.700 0.104 0.000 0.763 326 E HN 0.473 nan 8.360 nan 0.000 0.491 327 D N -1.407 119.062 120.400 0.116 0.000 2.349 327 D HA -0.009 4.631 4.640 0.001 0.000 0.224 327 D C 1.270 177.613 176.300 0.072 0.000 1.029 327 D CA 0.860 54.903 54.000 0.073 0.000 0.879 327 D CB 0.178 41.008 40.800 0.049 0.000 0.906 327 D HN 0.246 nan 8.370 nan 0.000 0.528 328 G N 0.180 109.033 108.800 0.089 0.000 2.217 328 G HA2 -0.298 3.663 3.960 0.001 0.000 0.246 328 G HA3 -0.298 3.663 3.960 0.001 0.000 0.246 328 G C 0.298 175.247 174.900 0.081 0.000 0.990 328 G CA 0.158 45.296 45.100 0.064 0.000 0.627 328 G HN 0.537 nan 8.290 nan 0.000 0.522 329 K N 1.672 122.150 120.400 0.130 0.000 2.368 329 K HA 0.461 4.782 4.320 0.001 0.000 0.282 329 K C 0.454 177.180 176.600 0.210 0.000 1.035 329 K CA 0.697 57.077 56.287 0.155 0.000 0.973 329 K CB 0.676 33.268 32.500 0.154 0.000 0.957 329 K HN 0.687 nan 8.250 nan 0.000 0.474 330 S N 2.562 118.332 115.700 0.118 0.000 2.566 330 S HA 0.574 5.045 4.470 0.001 0.000 0.298 330 S C -0.802 173.833 174.600 0.058 0.000 1.083 330 S CA -0.736 57.491 58.200 0.044 0.000 0.978 330 S CB 1.867 65.049 63.200 -0.031 0.000 1.073 330 S HN 0.686 nan 8.310 nan 0.000 0.491 331 E N 1.210 121.413 120.200 0.006 0.000 2.433 331 E HA 0.531 4.882 4.350 0.001 0.000 0.278 331 E C -1.438 175.101 176.600 -0.101 0.000 0.976 331 E CA -1.275 55.127 56.400 0.004 0.000 0.793 331 E CB 1.448 31.218 29.700 0.118 0.000 1.311 331 E HN 0.645 nan 8.360 nan 0.000 0.460 332 R N 0.948 121.381 120.500 -0.111 0.000 2.343 332 R HA 0.497 4.838 4.340 0.001 0.000 0.320 332 R C -1.165 175.056 176.300 -0.132 0.000 0.956 332 R CA -0.735 55.263 56.100 -0.170 0.000 0.836 332 R CB 2.045 32.212 30.300 -0.223 0.000 1.151 332 R HN 0.324 nan 8.270 nan 0.000 0.450 333 V N 5.393 125.192 119.914 -0.191 0.000 2.448 333 V HA 0.279 4.400 4.120 0.001 0.000 0.295 333 V C 0.261 176.200 176.094 -0.257 0.000 1.025 333 V CA -0.909 61.283 62.300 -0.180 0.000 0.859 333 V CB 1.747 33.465 31.823 -0.175 0.000 0.988 333 V HN 0.653 nan 8.190 nan 0.000 0.431 334 L N 4.322 125.454 121.223 -0.151 0.000 2.525 334 L HA 0.037 4.378 4.340 0.001 0.000 0.278 334 L C 0.889 177.686 176.870 -0.123 0.000 1.218 334 L CA 0.420 55.198 54.840 -0.104 0.000 0.878 334 L CB 0.123 42.163 42.059 -0.031 0.000 1.127 334 L HN 0.674 nan 8.230 nan 0.000 0.492 335 Y N 0.541 120.827 120.300 -0.023 0.000 2.314 335 Y HA -0.066 4.485 4.550 0.001 0.000 0.293 335 Y C 1.503 177.397 175.900 -0.011 0.000 1.129 335 Y CA 0.743 58.832 58.100 -0.019 0.000 1.201 335 Y CB 0.055 38.505 38.460 -0.015 0.000 0.999 335 Y HN 0.697 nan 8.280 nan 0.000 0.541 336 T N -3.648 110.995 114.554 0.149 0.000 2.865 336 T HA 0.508 4.859 4.350 0.001 0.000 0.294 336 T C -2.990 171.737 174.700 0.046 0.000 1.119 336 T CA -2.473 59.677 62.100 0.083 0.000 1.007 336 T CB 1.827 70.741 68.868 0.078 0.000 1.225 336 T HN -0.396 nan 8.240 nan 0.000 0.515 337 P HA 0.202 nan 4.420 nan 0.000 0.266 337 P C -0.232 177.074 177.300 0.010 0.000 1.195 337 P CA -0.171 62.937 63.100 0.014 0.000 0.768 337 P CB 0.213 31.918 31.700 0.009 0.000 0.838 338 E N 2.162 122.363 120.200 0.002 0.000 2.414 338 E HA 0.074 4.425 4.350 0.001 0.000 0.263 338 E C -0.513 176.083 176.600 -0.007 0.000 1.000 338 E CA -0.090 56.307 56.400 -0.005 0.000 0.914 338 E CB 0.123 29.816 29.700 -0.012 0.000 0.948 338 E HN 0.317 nan 8.360 nan 0.000 0.444 339 I N 3.836 124.400 120.570 -0.010 0.000 2.336 339 I HA 0.290 4.460 4.170 0.001 0.000 0.292 339 I C 0.388 176.493 176.117 -0.021 0.000 0.991 339 I CA -0.793 60.500 61.300 -0.012 0.000 1.227 339 I CB 1.496 39.492 38.000 -0.008 0.000 1.366 339 I HN 0.576 nan 8.210 nan 0.000 0.466 340 A N 6.138 128.946 122.820 -0.019 0.000 2.425 340 A HA 0.210 4.530 4.320 0.001 0.000 0.242 340 A C 0.146 177.712 177.584 -0.030 0.000 1.077 340 A CA -0.270 51.753 52.037 -0.024 0.000 0.781 340 A CB 0.167 19.157 19.000 -0.016 0.000 1.020 340 A HN 0.744 nan 8.150 nan 0.000 0.494 341 E N 1.519 121.693 120.200 -0.044 0.000 2.289 341 E HA 0.026 4.377 4.350 0.001 0.000 0.278 341 E C -0.233 176.351 176.600 -0.027 0.000 1.032 341 E CA -0.424 55.943 56.400 -0.054 0.000 0.854 341 E CB 0.701 30.341 29.700 -0.101 0.000 1.046 341 E HN 0.662 nan 8.360 nan 0.000 0.409 342 N N 2.968 121.661 118.700 -0.012 0.000 2.475 342 N HA -0.071 4.669 4.740 0.001 0.000 0.267 342 N C 0.556 176.076 175.510 0.017 0.000 1.169 342 N CA 0.007 53.060 53.050 0.007 0.000 0.947 342 N CB 0.898 39.396 38.487 0.017 0.000 1.061 342 N HN 0.430 nan 8.380 nan 0.000 0.466 343 Q N 2.387 122.200 119.800 0.022 0.000 2.230 343 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 343 Q C 1.510 177.540 176.000 0.050 0.000 0.963 343 Q CA 1.009 56.832 55.803 0.033 0.000 0.866 343 Q CB -0.081 28.673 28.738 0.027 0.000 0.931 343 Q HN 0.754 nan 8.270 nan 0.000 0.452 344 Q N -0.013 119.815 119.800 0.047 0.000 2.046 344 Q HA -0.159 4.181 4.340 0.001 0.000 0.200 344 Q C 2.039 178.086 176.000 0.078 0.000 0.975 344 Q CA 1.298 57.135 55.803 0.057 0.000 0.836 344 Q CB 0.020 28.788 28.738 0.049 0.000 0.896 344 Q HN 0.228 nan 8.270 nan 0.000 0.428 345 M N 0.453 120.099 119.600 0.078 0.000 2.080 345 M HA -0.194 4.287 4.480 0.001 0.000 0.260 345 M C 1.713 178.103 176.300 0.150 0.000 1.068 345 M CA 1.416 56.780 55.300 0.106 0.000 1.109 345 M CB -0.240 32.412 32.600 0.087 0.000 1.342 345 M HN 0.282 nan 8.290 nan 0.000 0.405 346 I N -0.613 120.033 120.570 0.126 0.000 2.286 346 I HA -0.236 3.935 4.170 0.001 0.000 0.248 346 I C 2.292 178.535 176.117 0.211 0.000 1.115 346 I CA 1.260 62.674 61.300 0.190 0.000 1.392 346 I CB -1.706 36.364 38.000 0.116 0.000 1.065 346 I HN 0.301 nan 8.210 nan 0.000 0.418 347 S N 0.845 116.627 115.700 0.137 0.000 2.383 347 S HA -0.139 4.332 4.470 0.001 0.000 0.227 347 S C 1.956 176.623 174.600 0.112 0.000 1.026 347 S CA 0.961 59.224 58.200 0.106 0.000 0.981 347 S CB -0.337 62.905 63.200 0.070 0.000 0.818 347 S HN 0.363 nan 8.310 nan 0.000 0.472 348 L N 1.322 122.628 121.223 0.138 0.000 2.056 348 L HA 0.093 4.434 4.340 0.001 0.000 0.207 348 L C 1.767 178.788 176.870 0.250 0.000 1.078 348 L CA 1.704 56.640 54.840 0.160 0.000 0.749 348 L CB -0.338 41.813 42.059 0.152 0.000 0.901 348 L HN 0.271 nan 8.230 nan 0.000 0.433 349 L N -1.989 119.423 121.223 0.316 0.000 2.354 349 L HA 0.023 4.364 4.340 0.001 0.000 0.212 349 L C 2.403 179.487 176.870 0.357 0.000 1.091 349 L CA 0.450 55.556 54.840 0.444 0.000 0.828 349 L CB -0.426 42.008 42.059 0.625 0.000 0.973 349 L HN 0.120 nan 8.230 nan 0.000 0.461 350 S N 0.710 116.580 115.700 0.283 0.000 2.365 350 S HA -0.129 4.342 4.470 0.001 0.000 0.225 350 S C -0.482 174.067 174.600 -0.084 0.000 1.039 350 S CA 1.823 60.072 58.200 0.082 0.000 1.033 350 S CB -0.919 62.358 63.200 0.129 0.000 0.887 350 S HN 0.272 nan 8.310 nan 0.000 0.447 351 P HA -0.030 nan 4.420 nan 0.000 0.217 351 P C 0.915 178.006 177.300 -0.347 0.000 1.150 351 P CA 0.950 63.886 63.100 -0.275 0.000 0.832 351 P CB -0.106 31.350 31.700 -0.407 0.000 0.787 352 F N -0.351 119.513 119.950 -0.143 0.000 2.134 352 F HA -0.167 4.361 4.527 0.001 0.000 0.299 352 F C 2.660 178.390 175.800 -0.117 0.000 1.097 352 F CA 1.390 59.278 58.000 -0.187 0.000 1.264 352 F CB -1.266 37.507 39.000 -0.378 0.000 1.001 352 F HN -0.075 nan 8.300 nan 0.000 0.479 353 Q N 0.779 120.594 119.800 0.025 0.000 2.046 353 Q HA -0.145 4.196 4.340 0.001 0.000 0.200 353 Q C 1.885 177.748 176.000 -0.228 0.000 0.975 353 Q CA 1.774 57.469 55.803 -0.179 0.000 0.836 353 Q CB -0.413 27.782 28.738 -0.905 0.000 0.896 353 Q HN 0.191 nan 8.270 nan 0.000 0.428 354 N N 0.526 119.093 118.700 -0.222 0.000 2.058 354 N HA -0.179 4.562 4.740 0.001 0.000 0.191 354 N C 1.447 176.886 175.510 -0.118 0.000 1.037 354 N CA 1.638 54.589 53.050 -0.164 0.000 0.848 354 N CB -0.432 37.973 38.487 -0.137 0.000 1.021 354 N HN 0.389 nan 8.380 nan 0.000 0.422 355 K N 0.494 120.826 120.400 -0.114 0.000 2.032 355 K HA -0.104 4.216 4.320 0.001 0.000 0.209 355 K C 2.024 178.586 176.600 -0.063 0.000 1.048 355 K CA 1.701 57.933 56.287 -0.091 0.000 0.927 355 K CB -0.484 31.948 32.500 -0.113 0.000 0.712 355 K HN 0.174 nan 8.250 nan 0.000 0.441 356 G N 1.271 110.046 108.800 -0.041 0.000 2.421 356 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 356 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 356 G C 1.500 176.369 174.900 -0.052 0.000 1.171 356 G CA 1.029 46.114 45.100 -0.025 0.000 0.775 356 G HN 0.378 nan 8.290 nan 0.000 0.543 357 K N 0.511 120.864 120.400 -0.077 0.000 2.057 357 K HA 0.045 4.366 4.320 0.001 0.000 0.207 357 K C 2.732 179.299 176.600 -0.056 0.000 1.049 357 K CA 1.386 57.623 56.287 -0.083 0.000 0.931 357 K CB -0.308 32.119 32.500 -0.122 0.000 0.714 357 K HN 0.213 nan 8.250 nan 0.000 0.440 358 A N 0.632 123.418 122.820 -0.056 0.000 1.929 358 A HA -0.164 4.156 4.320 0.001 0.000 0.216 358 A C 2.044 179.614 177.584 -0.023 0.000 1.176 358 A CA 1.327 53.341 52.037 -0.038 0.000 0.628 358 A CB -0.480 18.494 19.000 -0.044 0.000 0.816 358 A HN 0.487 nan 8.150 nan 0.000 0.444 359 Q N -1.128 118.650 119.800 -0.038 0.000 2.124 359 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 359 Q C 1.446 177.430 176.000 -0.026 0.000 0.977 359 Q CA 0.971 56.747 55.803 -0.045 0.000 0.850 359 Q CB -0.064 28.625 28.738 -0.081 0.000 0.901 359 Q HN 0.468 nan 8.270 nan 0.000 0.429 360 L N 0.761 121.975 121.223 -0.016 0.000 2.492 360 L HA -0.039 4.302 4.340 0.001 0.000 0.223 360 L C 1.630 178.573 176.870 0.122 0.000 1.132 360 L CA 1.271 56.138 54.840 0.045 0.000 0.850 360 L CB -0.336 41.726 42.059 0.005 0.000 0.966 360 L HN 0.163 nan 8.230 nan 0.000 0.454 361 E N -0.482 119.758 120.200 0.066 0.000 2.478 361 E HA -0.027 4.324 4.350 0.001 0.000 0.198 361 E C 0.845 177.492 176.600 0.078 0.000 1.046 361 E CA 0.027 56.460 56.400 0.054 0.000 0.870 361 E CB -0.071 29.638 29.700 0.016 0.000 0.818 361 E HN 0.196 nan 8.360 nan 0.000 0.527 362 V N 2.121 122.123 119.914 0.146 0.000 2.673 362 V HA -0.041 4.079 4.120 0.001 0.000 0.303 362 V C 0.378 176.509 176.094 0.061 0.000 1.046 362 V CA -0.260 62.123 62.300 0.138 0.000 1.126 362 V CB 0.614 32.555 31.823 0.197 0.000 0.934 362 V HN 0.019 nan 8.190 nan 0.000 0.487 363 K N 5.540 125.934 120.400 -0.011 0.000 2.368 363 K HA 0.231 4.552 4.320 0.001 0.000 0.282 363 K C 0.830 177.328 176.600 -0.170 0.000 1.035 363 K CA 0.246 56.484 56.287 -0.082 0.000 0.973 363 K CB 0.560 33.031 32.500 -0.048 0.000 0.957 363 K HN 0.805 nan 8.250 nan 0.000 0.474 364 I N 0.240 120.653 120.570 -0.262 0.000 4.187 364 I HA 0.404 4.575 4.170 0.001 0.000 0.326 364 I C 0.616 176.628 176.117 -0.175 0.000 1.302 364 I CA -0.264 60.857 61.300 -0.299 0.000 1.196 364 I CB 0.843 38.542 38.000 -0.501 0.000 1.095 364 I HN 0.690 nan 8.210 nan 0.000 0.411 365 G N 1.614 110.333 108.800 -0.134 0.000 2.435 365 G HA2 0.492 4.453 3.960 0.001 0.000 0.296 365 G HA3 0.492 4.453 3.960 0.001 0.000 0.296 365 G C -1.905 172.954 174.900 -0.070 0.000 1.240 365 G CA -0.098 44.946 45.100 -0.093 0.000 0.872 365 G HN 0.472 nan 8.290 nan 0.000 0.480 366 E N -1.909 118.260 120.200 -0.052 0.000 2.423 366 E HA 0.638 4.988 4.350 0.001 0.000 0.280 366 E C -1.655 174.933 176.600 -0.021 0.000 1.030 366 E CA -0.835 55.544 56.400 -0.035 0.000 0.812 366 E CB 2.131 31.816 29.700 -0.026 0.000 1.313 366 E HN 0.648 nan 8.360 nan 0.000 0.456 367 T N 0.207 114.754 114.554 -0.010 0.000 2.912 367 T HA 0.262 4.613 4.350 0.001 0.000 0.299 367 T C -0.352 174.357 174.700 0.015 0.000 1.052 367 T CA -0.501 61.603 62.100 0.008 0.000 0.996 367 T CB 1.084 69.954 68.868 0.002 0.000 1.070 367 T HN 0.607 nan 8.240 nan 0.000 0.465 368 N N 2.188 120.905 118.700 0.029 0.000 2.383 368 N HA 0.303 5.044 4.740 0.001 0.000 0.192 368 N C 0.410 175.938 175.510 0.030 0.000 1.141 368 N CA -0.091 52.974 53.050 0.026 0.000 0.851 368 N CB 0.417 38.922 38.487 0.030 0.000 0.976 368 N HN 0.785 nan 8.380 nan 0.000 0.465 369 G N -0.641 108.179 108.800 0.033 0.000 2.673 369 G HA2 0.366 4.327 3.960 0.001 0.000 0.292 369 G HA3 0.366 4.327 3.960 0.001 0.000 0.292 369 G C -1.646 173.271 174.900 0.029 0.000 1.450 369 G CA -1.135 43.986 45.100 0.035 0.000 0.837 369 G HN 0.238 nan 8.290 nan 0.000 0.505 370 R N 0.377 120.893 120.500 0.026 0.000 2.484 370 R HA 0.275 4.616 4.340 0.001 0.000 0.293 370 R C -0.441 175.876 176.300 0.028 0.000 1.023 370 R CA -0.102 56.011 56.100 0.022 0.000 1.037 370 R CB 0.106 30.419 30.300 0.021 0.000 0.951 370 R HN 0.350 nan 8.270 nan 0.000 0.418 371 L N 4.142 125.375 121.223 0.017 0.000 2.257 371 L HA 0.208 4.549 4.340 0.001 0.000 0.290 371 L C -0.053 176.830 176.870 0.022 0.000 1.044 371 L CA -0.433 54.416 54.840 0.016 0.000 0.810 371 L CB 1.439 43.489 42.059 -0.014 0.000 1.193 371 L HN 0.589 nan 8.230 nan 0.000 0.425 372 E N 2.284 122.507 120.200 0.038 0.000 2.070 372 E HA 0.288 4.639 4.350 0.001 0.000 0.282 372 E C 0.690 177.320 176.600 0.051 0.000 1.104 372 E CA 0.020 56.447 56.400 0.044 0.000 0.876 372 E CB 1.037 30.770 29.700 0.055 0.000 1.055 372 E HN 0.605 nan 8.360 nan 0.000 0.401 373 G N 3.824 112.650 108.800 0.042 0.000 3.596 373 G HA2 0.042 4.003 3.960 0.001 0.000 0.274 373 G HA3 0.042 4.003 3.960 0.001 0.000 0.274 373 G C -0.412 174.522 174.900 0.056 0.000 1.007 373 G CA -0.501 44.628 45.100 0.049 0.000 0.825 373 G HN 0.435 nan 8.290 nan 0.000 0.508 374 D N 0.547 120.977 120.400 0.051 0.000 2.443 374 D HA 0.132 4.773 4.640 0.001 0.000 0.239 374 D C 1.493 177.838 176.300 0.075 0.000 1.136 374 D CA -0.103 53.928 54.000 0.051 0.000 0.879 374 D CB 1.264 42.083 40.800 0.030 0.000 1.195 374 D HN 0.026 nan 8.370 nan 0.000 0.443 375 R N 1.144 121.696 120.500 0.086 0.000 2.103 375 R HA -0.162 4.179 4.340 0.001 0.000 0.242 375 R C 1.325 177.728 176.300 0.171 0.000 1.142 375 R CA 1.574 57.749 56.100 0.125 0.000 0.960 375 R CB -0.034 30.339 30.300 0.121 0.000 0.858 375 R HN 0.566 nan 8.270 nan 0.000 0.439 376 D N -0.006 120.448 120.400 0.090 0.000 2.378 376 D HA -0.128 4.513 4.640 0.001 0.000 0.227 376 D C 1.004 177.263 176.300 -0.068 0.000 1.012 376 D CA 0.915 54.894 54.000 -0.035 0.000 0.905 376 D CB 0.157 40.840 40.800 -0.196 0.000 0.895 376 D HN 0.093 nan 8.370 nan 0.000 0.532 377 K N 0.286 120.724 120.400 0.063 0.000 2.273 377 K HA 0.059 4.380 4.320 0.001 0.000 0.206 377 K C 2.318 179.014 176.600 0.160 0.000 1.072 377 K CA 0.999 57.334 56.287 0.081 0.000 0.953 377 K CB -0.495 32.037 32.500 0.054 0.000 1.043 377 K HN 0.201 nan 8.250 nan 0.000 0.477 378 V N -0.036 119.977 119.914 0.165 0.000 2.913 378 V HA -0.034 4.087 4.120 0.001 0.000 0.260 378 V C 1.629 177.862 176.094 0.230 0.000 1.098 378 V CA 1.249 63.667 62.300 0.198 0.000 1.121 378 V CB -0.650 31.271 31.823 0.163 0.000 0.714 378 V HN 0.131 nan 8.190 nan 0.000 0.487 379 R N -1.764 118.842 120.500 0.176 0.000 2.317 379 R HA 0.361 4.702 4.340 0.001 0.000 0.208 379 R C 1.143 177.066 176.300 -0.628 0.000 0.914 379 R CA 0.549 56.640 56.100 -0.015 0.000 1.060 379 R CB 0.105 30.408 30.300 0.006 0.000 1.015 379 R HN 0.595 nan 8.270 nan 0.000 0.498 380 F N -1.069 118.506 119.950 -0.624 0.000 2.577 380 F HA 0.128 4.656 4.527 0.001 0.000 0.282 380 F C 0.662 175.982 175.800 -0.800 0.000 0.957 380 F CA -0.404 57.149 58.000 -0.745 0.000 1.168 380 F CB 0.606 39.421 39.000 -0.308 0.000 0.958 380 F HN -0.283 nan 8.300 nan 0.000 0.702 381 V N -2.152 117.680 119.914 -0.137 0.000 3.141 381 V HA 0.560 4.681 4.120 0.001 0.000 0.312 381 V C -0.739 175.586 176.094 0.386 0.000 1.157 381 V CA -1.168 61.234 62.300 0.170 0.000 1.041 381 V CB 1.424 33.345 31.823 0.163 0.000 1.071 381 V HN -0.111 nan 8.190 nan 0.000 0.441 382 Q N 2.235 122.287 119.800 0.420 0.000 2.311 382 Q HA 0.433 4.774 4.340 0.001 0.000 0.272 382 Q C 0.324 176.465 176.000 0.235 0.000 1.012 382 Q CA 0.598 56.606 55.803 0.342 0.000 0.891 382 Q CB 0.993 29.914 28.738 0.305 0.000 1.201 382 Q HN 1.162 nan 8.270 nan 0.000 0.391 383 T N -1.604 113.071 114.554 0.203 0.000 2.916 383 T HA 0.306 4.657 4.350 0.001 0.000 0.292 383 T C 0.981 175.766 174.700 0.142 0.000 1.064 383 T CA -0.711 61.481 62.100 0.153 0.000 1.011 383 T CB 0.870 69.816 68.868 0.131 0.000 1.152 383 T HN 0.478 nan 8.240 nan 0.000 0.510 384 N N 1.072 119.848 118.700 0.128 0.000 2.309 384 N HA -0.125 4.616 4.740 0.001 0.000 0.182 384 N C 1.573 177.135 175.510 0.088 0.000 1.018 384 N CA 1.345 54.481 53.050 0.143 0.000 0.876 384 N CB -0.784 37.794 38.487 0.152 0.000 0.972 384 N HN 0.597 nan 8.380 nan 0.000 0.434 385 M N 0.806 120.441 119.600 0.059 0.000 2.132 385 M HA 0.178 4.659 4.480 0.001 0.000 0.263 385 M C 1.968 178.286 176.300 0.030 0.000 1.065 385 M CA 1.583 56.893 55.300 0.018 0.000 1.122 385 M CB -0.932 31.683 32.600 0.024 0.000 1.365 385 M HN 0.208 nan 8.290 nan 0.000 0.411 386 G N 0.354 109.198 108.800 0.074 0.000 2.476 386 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 386 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 386 G C 1.691 176.640 174.900 0.082 0.000 1.164 386 G CA 0.854 46.005 45.100 0.085 0.000 0.768 386 G HN 0.377 nan 8.290 nan 0.000 0.560 387 R N -0.357 120.214 120.500 0.118 0.000 2.092 387 R HA 0.051 4.392 4.340 0.001 0.000 0.231 387 R C 2.497 178.873 176.300 0.127 0.000 1.119 387 R CA 0.779 56.980 56.100 0.168 0.000 0.970 387 R CB -1.083 29.372 30.300 0.259 0.000 0.864 387 R HN 0.440 nan 8.270 nan 0.000 0.440 388 L N 1.128 122.332 121.223 -0.031 0.000 1.994 388 L HA -0.102 4.239 4.340 0.001 0.000 0.208 388 L C 2.161 178.914 176.870 -0.195 0.000 1.071 388 L CA 1.593 56.265 54.840 -0.281 0.000 0.745 388 L CB -0.517 41.307 42.059 -0.393 0.000 0.892 388 L HN 0.037 nan 8.230 nan 0.000 0.431 389 I N -0.959 119.547 120.570 -0.106 0.000 2.208 389 I HA -0.339 3.831 4.170 0.001 0.000 0.245 389 I C 2.342 178.402 176.117 -0.096 0.000 1.097 389 I CA 1.463 62.712 61.300 -0.085 0.000 1.363 389 I CB -0.312 37.672 38.000 -0.027 0.000 1.051 389 I HN 0.271 nan 8.210 nan 0.000 0.413 390 L N 0.120 121.317 121.223 -0.044 0.000 2.156 390 L HA -0.124 4.216 4.340 0.001 0.000 0.208 390 L C 2.822 179.650 176.870 -0.069 0.000 1.095 390 L CA 0.954 55.784 54.840 -0.017 0.000 0.770 390 L CB -0.731 41.361 42.059 0.055 0.000 0.914 390 L HN 0.227 nan 8.230 nan 0.000 0.439 391 A N 0.469 123.222 122.820 -0.112 0.000 1.877 391 A HA -0.200 4.120 4.320 0.001 0.000 0.216 391 A C 2.581 179.838 177.584 -0.545 0.000 1.186 391 A CA 1.819 53.728 52.037 -0.213 0.000 0.620 391 A CB -0.709 18.239 19.000 -0.087 0.000 0.822 391 A HN 0.383 nan 8.150 nan 0.000 0.443 392 A N -0.645 121.685 122.820 -0.816 0.000 1.883 392 A HA -0.257 4.063 4.320 0.001 0.000 0.217 392 A C 2.136 179.560 177.584 -0.267 0.000 1.186 392 A CA 1.822 53.398 52.037 -0.769 0.000 0.624 392 A CB -0.648 18.096 19.000 -0.427 0.000 0.822 392 A HN 0.678 nan 8.150 nan 0.000 0.444 393 Q N -1.096 118.606 119.800 -0.163 0.000 2.119 393 Q HA -0.083 4.258 4.340 0.001 0.000 0.201 393 Q C 2.230 178.209 176.000 -0.035 0.000 0.972 393 Q CA 1.561 57.333 55.803 -0.052 0.000 0.847 393 Q CB -0.260 28.474 28.738 -0.006 0.000 0.903 393 Q HN 0.714 nan 8.270 nan 0.000 0.433 394 M N 0.278 119.846 119.600 -0.055 0.000 2.132 394 M HA -0.168 4.313 4.480 0.001 0.000 0.263 394 M C 1.712 177.997 176.300 -0.026 0.000 1.065 394 M CA 1.509 56.791 55.300 -0.030 0.000 1.122 394 M CB -0.282 32.316 32.600 -0.003 0.000 1.365 394 M HN 0.173 nan 8.290 nan 0.000 0.411 395 D N 0.258 120.639 120.400 -0.031 0.000 2.123 395 D HA -0.215 4.426 4.640 0.001 0.000 0.196 395 D C 1.997 178.303 176.300 0.009 0.000 0.992 395 D CA 1.382 55.396 54.000 0.024 0.000 0.833 395 D CB 0.087 40.952 40.800 0.108 0.000 0.954 395 D HN 0.016 nan 8.370 nan 0.000 0.455 396 R N -0.394 120.096 120.500 -0.018 0.000 2.092 396 R HA -0.046 4.295 4.340 0.001 0.000 0.231 396 R C 2.042 178.349 176.300 0.012 0.000 1.119 396 R CA 2.153 58.224 56.100 -0.048 0.000 0.970 396 R CB -0.885 29.339 30.300 -0.127 0.000 0.864 396 R HN 0.362 nan 8.270 nan 0.000 0.440 397 T N -3.999 110.567 114.554 0.020 0.000 3.060 397 T HA 0.233 4.584 4.350 0.001 0.000 0.249 397 T C 1.213 175.808 174.700 -0.174 0.000 1.079 397 T CA 0.277 62.372 62.100 -0.009 0.000 1.013 397 T CB 0.213 69.105 68.868 0.039 0.000 0.975 397 T HN 0.368 nan 8.240 nan 0.000 0.518 398 G N 1.479 110.218 108.800 -0.101 0.000 2.198 398 G HA2 -0.027 3.934 3.960 0.001 0.000 0.260 398 G HA3 -0.027 3.934 3.960 0.001 0.000 0.260 398 G C 0.260 175.084 174.900 -0.126 0.000 1.025 398 G CA -0.030 45.007 45.100 -0.106 0.000 0.769 398 G HN 1.159 nan 8.290 nan 0.000 0.507 399 A N -0.664 122.090 122.820 -0.111 0.000 2.332 399 A HA 0.630 4.951 4.320 0.001 0.000 0.258 399 A C 1.178 178.770 177.584 0.014 0.000 1.087 399 A CA 0.483 52.465 52.037 -0.092 0.000 0.802 399 A CB 0.500 19.441 19.000 -0.097 0.000 1.042 399 A HN 0.175 nan 8.150 nan 0.000 0.489 400 D N -0.568 119.892 120.400 0.099 0.000 2.240 400 D HA 0.159 4.800 4.640 0.001 0.000 0.206 400 D C 0.117 176.627 176.300 0.351 0.000 0.963 400 D CA 1.506 55.650 54.000 0.240 0.000 0.863 400 D CB 0.067 41.107 40.800 0.399 0.000 0.973 400 D HN 0.541 nan 8.370 nan 0.000 0.501 401 F N -0.564 119.445 119.950 0.100 0.000 2.715 401 F HA 0.737 5.264 4.527 0.001 0.000 0.318 401 F C -1.688 174.188 175.800 0.126 0.000 1.141 401 F CA -1.644 56.423 58.000 0.110 0.000 0.950 401 F CB 1.302 40.370 39.000 0.113 0.000 1.374 401 F HN -0.146 nan 8.300 nan 0.000 0.477 402 A N 0.721 123.640 122.820 0.165 0.000 2.612 402 A HA 0.827 5.147 4.320 0.001 0.000 0.293 402 A C -2.202 175.525 177.584 0.238 0.000 1.075 402 A CA -0.469 51.602 52.037 0.057 0.000 0.680 402 A CB 1.586 20.617 19.000 0.052 0.000 1.279 402 A HN 1.942 nan 8.150 nan 0.000 0.411 403 V N 2.091 122.111 119.914 0.177 0.000 3.012 403 V HA 0.880 5.001 4.120 0.001 0.000 0.307 403 V C -1.098 175.062 176.094 0.111 0.000 1.166 403 V CA -0.307 62.089 62.300 0.160 0.000 0.974 403 V CB 2.120 34.117 31.823 0.290 0.000 1.040 403 V HN 1.519 nan 8.190 nan 0.000 0.428 404 M N 2.724 122.350 119.600 0.043 0.000 2.622 404 M HA 0.681 5.162 4.480 0.001 0.000 0.276 404 M C -0.679 175.625 176.300 0.006 0.000 1.265 404 M CA -0.621 54.695 55.300 0.027 0.000 0.850 404 M CB 2.045 34.670 32.600 0.042 0.000 1.720 404 M HN 0.359 nan 8.290 nan 0.000 0.465 405 S N 1.121 116.801 115.700 -0.033 0.000 2.549 405 S HA 0.236 4.707 4.470 0.001 0.000 0.283 405 S C 1.307 175.959 174.600 0.087 0.000 1.320 405 S CA 0.191 58.420 58.200 0.048 0.000 1.058 405 S CB 1.026 64.269 63.200 0.073 0.000 0.882 405 S HN 0.920 nan 8.310 nan 0.000 0.498 406 G N 2.886 111.766 108.800 0.132 0.000 2.450 406 G HA2 -0.153 3.808 3.960 0.001 0.000 0.220 406 G HA3 -0.153 3.808 3.960 0.001 0.000 0.220 406 G C 1.405 176.390 174.900 0.141 0.000 1.130 406 G CA 0.655 45.859 45.100 0.175 0.000 0.760 406 G HN 0.810 nan 8.290 nan 0.000 0.557 407 G N 0.479 109.357 108.800 0.131 0.000 2.535 407 G HA2 0.120 4.081 3.960 0.001 0.000 0.218 407 G HA3 0.120 4.081 3.960 0.001 0.000 0.218 407 G C 1.544 176.495 174.900 0.086 0.000 1.122 407 G CA 1.110 46.274 45.100 0.107 0.000 0.769 407 G HN 0.577 nan 8.290 nan 0.000 0.549 408 G N 0.090 108.931 108.800 0.068 0.000 2.650 408 G HA2 0.173 4.133 3.960 0.001 0.000 0.214 408 G HA3 0.173 4.133 3.960 0.001 0.000 0.214 408 G C 0.594 175.534 174.900 0.067 0.000 1.136 408 G CA -0.271 44.863 45.100 0.058 0.000 0.789 408 G HN 0.413 nan 8.290 nan 0.000 0.536 409 I N 1.151 121.763 120.570 0.070 0.000 2.312 409 I HA 0.309 4.480 4.170 0.001 0.000 0.291 409 I C 0.784 176.930 176.117 0.048 0.000 1.031 409 I CA -0.718 60.612 61.300 0.050 0.000 1.293 409 I CB 1.652 39.690 38.000 0.063 0.000 1.403 409 I HN -0.074 nan 8.210 nan 0.000 0.484 410 R N 2.901 123.404 120.500 0.005 0.000 2.365 410 R HA 0.327 4.668 4.340 0.001 0.000 0.223 410 R C -0.185 176.112 176.300 -0.006 0.000 0.899 410 R CA 0.120 56.217 56.100 -0.006 0.000 1.059 410 R CB 0.011 30.245 30.300 -0.109 0.000 1.086 410 R HN 0.592 nan 8.270 nan 0.000 0.522 411 D N -1.150 119.246 120.400 -0.008 0.000 2.692 411 D HA 0.249 4.889 4.640 0.001 0.000 0.290 411 D C -0.923 175.379 176.300 0.003 0.000 1.281 411 D CA -0.265 53.733 54.000 -0.002 0.000 0.804 411 D CB 1.982 42.767 40.800 -0.025 0.000 1.331 411 D HN -0.234 nan 8.370 nan 0.000 0.432 412 S N -0.131 115.572 115.700 0.005 0.000 2.713 412 S HA 0.677 5.148 4.470 0.001 0.000 0.283 412 S C 0.037 174.633 174.600 -0.007 0.000 1.161 412 S CA -0.543 57.660 58.200 0.005 0.000 0.999 412 S CB 0.942 64.149 63.200 0.012 0.000 1.039 412 S HN 0.266 nan 8.310 nan 0.000 0.548 413 I N 1.870 122.435 120.570 -0.008 0.000 2.447 413 I HA 0.289 4.460 4.170 0.001 0.000 0.287 413 I C -0.272 175.840 176.117 -0.008 0.000 1.023 413 I CA -0.588 60.703 61.300 -0.015 0.000 1.083 413 I CB 1.564 39.549 38.000 -0.026 0.000 1.245 413 I HN 0.450 nan 8.210 nan 0.000 0.434 414 E N 4.004 124.199 120.200 -0.007 0.000 2.349 414 E HA 0.405 4.756 4.350 0.001 0.000 0.262 414 E C 0.030 176.629 176.600 -0.003 0.000 1.088 414 E CA -0.446 55.953 56.400 -0.002 0.000 0.899 414 E CB 1.228 30.926 29.700 -0.002 0.000 1.044 414 E HN 0.634 nan 8.360 nan 0.000 0.420 415 A N 0.856 123.678 122.820 0.003 0.000 2.531 415 A HA 0.432 4.753 4.320 0.001 0.000 0.236 415 A C 0.885 178.468 177.584 -0.002 0.000 1.062 415 A CA 1.066 53.105 52.037 0.004 0.000 0.760 415 A CB -0.351 18.654 19.000 0.009 0.000 0.995 415 A HN 0.712 nan 8.150 nan 0.000 0.501 416 G N 1.706 110.504 108.800 -0.004 0.000 2.341 416 G HA2 0.048 4.008 3.960 0.001 0.000 0.196 416 G HA3 0.048 4.008 3.960 0.001 0.000 0.196 416 G C -0.983 173.907 174.900 -0.016 0.000 1.231 416 G CA -0.162 44.933 45.100 -0.009 0.000 1.155 416 G HN 0.836 nan 8.290 nan 0.000 0.529 417 D N 0.753 121.141 120.400 -0.020 0.000 2.382 417 D HA 0.513 5.154 4.640 0.001 0.000 0.245 417 D C 0.473 176.750 176.300 -0.038 0.000 1.120 417 D CA 0.494 54.476 54.000 -0.030 0.000 0.890 417 D CB 0.952 41.736 40.800 -0.027 0.000 1.201 417 D HN 0.507 nan 8.370 nan 0.000 0.433 418 I N 1.382 121.919 120.570 -0.055 0.000 2.378 418 I HA 0.145 4.316 4.170 0.001 0.000 0.291 418 I C 0.626 176.684 176.117 -0.099 0.000 0.992 418 I CA -0.609 60.650 61.300 -0.069 0.000 1.154 418 I CB 1.442 39.395 38.000 -0.078 0.000 1.315 418 I HN 0.239 nan 8.210 nan 0.000 0.448 419 S N 4.223 119.876 115.700 -0.078 0.000 2.722 419 S HA 0.396 4.867 4.470 0.001 0.000 0.292 419 S C 0.861 175.413 174.600 -0.080 0.000 1.135 419 S CA -0.499 57.656 58.200 -0.075 0.000 1.003 419 S CB 0.984 64.182 63.200 -0.003 0.000 1.067 419 S HN 0.509 nan 8.310 nan 0.000 0.546 420 Y N 0.641 120.927 120.300 -0.023 0.000 2.165 420 Y HA -0.107 4.444 4.550 0.001 0.000 0.286 420 Y C 2.640 178.519 175.900 -0.035 0.000 1.155 420 Y CA 1.953 60.039 58.100 -0.023 0.000 1.164 420 Y CB -0.543 37.906 38.460 -0.018 0.000 0.978 420 Y HN 0.670 nan 8.280 nan 0.000 0.513 421 K N 0.988 121.460 120.400 0.121 0.000 2.044 421 K HA -0.210 4.111 4.320 0.001 0.000 0.210 421 K C 1.374 177.971 176.600 -0.005 0.000 1.049 421 K CA 2.128 58.433 56.287 0.030 0.000 0.927 421 K CB -0.712 31.790 32.500 0.004 0.000 0.713 421 K HN 0.467 nan 8.250 nan 0.000 0.443 422 N N -0.649 118.044 118.700 -0.011 0.000 2.061 422 N HA -0.179 4.562 4.740 0.001 0.000 0.193 422 N C 1.614 177.105 175.510 -0.032 0.000 1.030 422 N CA 1.551 54.584 53.050 -0.028 0.000 0.856 422 N CB -0.127 38.339 38.487 -0.035 0.000 1.023 422 N HN -0.053 nan 8.380 nan 0.000 0.424 423 V N 0.840 120.741 119.914 -0.022 0.000 2.307 423 V HA -0.276 3.844 4.120 0.001 0.000 0.245 423 V C 2.436 178.514 176.094 -0.027 0.000 1.045 423 V CA 1.337 63.626 62.300 -0.019 0.000 1.024 423 V CB -0.584 31.238 31.823 -0.001 0.000 0.651 423 V HN 0.526 nan 8.190 nan 0.000 0.449 424 c N -0.043 118.546 118.600 -0.018 0.000 2.398 424 c HA -0.159 4.412 4.570 0.001 0.000 0.276 424 c C 2.800 176.818 174.090 -0.119 0.000 1.222 424 c CA 0.731 57.025 56.329 -0.057 0.000 1.746 424 c CB -1.054 41.423 42.510 -0.054 0.000 2.039 424 c HN 0.475 nan 8.230 nan 0.000 0.470 425 K N 0.832 121.169 120.400 -0.105 0.000 2.103 425 K HA -0.075 4.245 4.320 0.001 0.000 0.207 425 K C 1.934 178.455 176.600 -0.132 0.000 1.048 425 K CA 1.037 57.248 56.287 -0.126 0.000 0.930 425 K CB -0.912 31.537 32.500 -0.086 0.000 0.716 425 K HN 0.454 nan 8.250 nan 0.000 0.444 426 V N 1.146 121.003 119.914 -0.094 0.000 2.427 426 V HA -0.139 3.982 4.120 0.001 0.000 0.248 426 V C 0.948 176.977 176.094 -0.108 0.000 1.051 426 V CA 1.352 63.606 62.300 -0.078 0.000 1.048 426 V CB -0.191 31.604 31.823 -0.046 0.000 0.666 426 V HN 0.312 nan 8.190 nan 0.000 0.456 427 Q N -0.042 119.685 119.800 -0.121 0.000 2.965 427 Q HA 0.250 4.590 4.340 0.001 0.000 0.288 427 Q C -2.046 173.841 176.000 -0.187 0.000 0.974 427 Q CA -1.242 54.486 55.803 -0.124 0.000 0.849 427 Q CB 1.324 30.040 28.738 -0.036 0.000 1.280 427 Q HN 0.423 nan 8.270 nan 0.000 0.441 428 P HA 0.045 nan 4.420 nan 0.000 0.240 428 P C 0.460 177.569 177.300 -0.320 0.000 1.190 428 P CA 0.447 63.277 63.100 -0.449 0.000 0.781 428 P CB 0.204 31.482 31.700 -0.705 0.000 0.931 429 F N -0.080 119.848 119.950 -0.037 0.000 2.695 429 F HA 0.441 4.969 4.527 0.001 0.000 0.303 429 F C 1.676 177.505 175.800 0.048 0.000 1.091 429 F CA -0.118 57.844 58.000 -0.063 0.000 1.300 429 F CB -0.801 38.160 39.000 -0.066 0.000 1.071 429 F HN -0.007 nan 8.300 nan 0.000 0.578 430 G N 1.275 110.213 108.800 0.230 0.000 2.246 430 G HA2 -0.296 3.665 3.960 0.001 0.000 0.273 430 G HA3 -0.296 3.665 3.960 0.001 0.000 0.273 430 G C 0.123 175.196 174.900 0.287 0.000 1.055 430 G CA -0.223 45.036 45.100 0.264 0.000 0.851 430 G HN 0.264 nan 8.290 nan 0.000 0.500 431 N N -0.789 118.057 118.700 0.242 0.000 2.508 431 N HA 0.386 5.127 4.740 0.001 0.000 0.264 431 N C 0.452 176.070 175.510 0.179 0.000 1.216 431 N CA -0.043 53.136 53.050 0.215 0.000 0.943 431 N CB 1.605 40.207 38.487 0.191 0.000 1.113 431 N HN 0.097 nan 8.380 nan 0.000 0.447 432 V N 1.853 121.865 119.914 0.164 0.000 2.532 432 V HA 0.224 4.345 4.120 0.001 0.000 0.295 432 V C 0.283 176.453 176.094 0.125 0.000 1.041 432 V CA -0.809 61.569 62.300 0.131 0.000 0.926 432 V CB 1.919 33.799 31.823 0.096 0.000 0.992 432 V HN 0.285 nan 8.190 nan 0.000 0.457 433 V N 5.943 125.936 119.914 0.131 0.000 2.488 433 V HA 0.407 4.528 4.120 0.001 0.000 0.277 433 V C 0.159 176.302 176.094 0.082 0.000 1.046 433 V CA 0.024 62.403 62.300 0.132 0.000 0.986 433 V CB 1.281 33.209 31.823 0.176 0.000 0.989 433 V HN 0.751 nan 8.190 nan 0.000 0.475 434 V N 3.837 123.790 119.914 0.065 0.000 3.126 434 V HA 0.901 5.022 4.120 0.001 0.000 0.314 434 V C -1.058 175.064 176.094 0.047 0.000 1.138 434 V CA -0.846 61.423 62.300 -0.052 0.000 1.034 434 V CB 2.107 33.906 31.823 -0.040 0.000 1.075 434 V HN 0.857 nan 8.190 nan 0.000 0.442 435 Y N -0.229 120.001 120.300 -0.117 0.000 2.615 435 Y HA 0.998 5.548 4.550 0.001 0.000 0.341 435 Y C -0.600 175.262 175.900 -0.062 0.000 1.089 435 Y CA -1.080 56.970 58.100 -0.082 0.000 1.049 435 Y CB 1.442 39.858 38.460 -0.073 0.000 1.296 435 Y HN 1.231 nan 8.280 nan 0.000 0.470 436 A N 1.501 124.461 122.820 0.233 0.000 2.427 436 A HA 0.553 4.874 4.320 0.001 0.000 0.298 436 A C -1.900 175.803 177.584 0.198 0.000 1.036 436 A CA -0.817 51.336 52.037 0.193 0.000 0.701 436 A CB 1.017 20.095 19.000 0.129 0.000 1.250 436 A HN 0.707 nan 8.150 nan 0.000 0.412 437 D N 3.326 123.858 120.400 0.219 0.000 2.313 437 D HA 0.514 5.155 4.640 0.001 0.000 0.239 437 D C 0.083 176.469 176.300 0.144 0.000 1.142 437 D CA 0.468 54.568 54.000 0.168 0.000 0.847 437 D CB 1.067 41.960 40.800 0.155 0.000 1.082 437 D HN 0.680 nan 8.370 nan 0.000 0.480 438 M N -0.547 119.153 119.600 0.168 0.000 2.550 438 M HA 0.469 4.950 4.480 0.001 0.000 0.292 438 M C -0.089 176.339 176.300 0.213 0.000 1.221 438 M CA -0.939 54.461 55.300 0.166 0.000 0.873 438 M CB 1.956 34.644 32.600 0.148 0.000 1.727 438 M HN 0.117 nan 8.290 nan 0.000 0.459 439 T N -0.732 113.926 114.554 0.173 0.000 2.802 439 T HA 0.327 4.678 4.350 0.001 0.000 0.305 439 T C 1.245 176.103 174.700 0.263 0.000 1.053 439 T CA 0.066 62.282 62.100 0.193 0.000 1.058 439 T CB 0.746 69.689 68.868 0.124 0.000 0.988 439 T HN 0.905 nan 8.240 nan 0.000 0.539 440 G N 0.171 109.164 108.800 0.321 0.000 2.442 440 G HA2 -0.239 3.722 3.960 0.001 0.000 0.219 440 G HA3 -0.239 3.722 3.960 0.001 0.000 0.219 440 G C 1.385 176.333 174.900 0.080 0.000 1.141 440 G CA 0.967 46.201 45.100 0.223 0.000 0.763 440 G HN 0.866 nan 8.290 nan 0.000 0.554 441 K N 0.486 120.940 120.400 0.090 0.000 2.057 441 K HA -0.091 4.230 4.320 0.001 0.000 0.207 441 K C 2.343 178.982 176.600 0.065 0.000 1.049 441 K CA 1.477 57.798 56.287 0.056 0.000 0.931 441 K CB -0.189 32.343 32.500 0.052 0.000 0.714 441 K HN 0.387 nan 8.250 nan 0.000 0.440 442 E N 0.099 120.356 120.200 0.096 0.000 2.153 442 E HA -0.149 4.201 4.350 0.001 0.000 0.194 442 E C 1.939 178.632 176.600 0.155 0.000 0.988 442 E CA 1.106 57.577 56.400 0.118 0.000 0.811 442 E CB 0.114 29.888 29.700 0.123 0.000 0.746 442 E HN 0.099 nan 8.360 nan 0.000 0.466 443 V N 1.161 121.153 119.914 0.130 0.000 2.295 443 V HA -0.276 3.845 4.120 0.001 0.000 0.246 443 V C 2.178 178.315 176.094 0.072 0.000 1.049 443 V CA 1.639 64.010 62.300 0.120 0.000 1.024 443 V CB -0.346 31.416 31.823 -0.102 0.000 0.648 443 V HN 0.257 nan 8.190 nan 0.000 0.447 444 I N 0.111 120.676 120.570 -0.008 0.000 2.179 444 I HA -0.244 3.927 4.170 0.001 0.000 0.242 444 I C 2.304 178.416 176.117 -0.008 0.000 1.088 444 I CA 1.756 63.029 61.300 -0.044 0.000 1.357 444 I CB -0.545 37.420 38.000 -0.057 0.000 1.051 444 I HN 0.317 nan 8.210 nan 0.000 0.409 445 D N -0.145 120.275 120.400 0.034 0.000 2.117 445 D HA -0.232 4.408 4.640 0.001 0.000 0.197 445 D C 1.943 178.278 176.300 0.058 0.000 0.987 445 D CA 1.395 55.414 54.000 0.032 0.000 0.829 445 D CB -0.418 40.411 40.800 0.049 0.000 0.961 445 D HN 0.356 nan 8.370 nan 0.000 0.460 446 Y N 1.443 121.760 120.300 0.029 0.000 2.089 446 Y HA -0.161 4.390 4.550 0.001 0.000 0.282 446 Y C 2.311 178.246 175.900 0.058 0.000 1.139 446 Y CA 1.415 59.553 58.100 0.064 0.000 1.123 446 Y CB -0.457 38.087 38.460 0.140 0.000 0.980 446 Y HN -0.111 nan 8.280 nan 0.000 0.493 447 L N -1.011 120.302 121.223 0.149 0.000 2.141 447 L HA -0.221 4.120 4.340 0.001 0.000 0.209 447 L C 2.275 179.074 176.870 -0.118 0.000 1.094 447 L CA 1.667 56.551 54.840 0.073 0.000 0.763 447 L CB -0.736 41.364 42.059 0.068 0.000 0.908 447 L HN 0.251 nan 8.230 nan 0.000 0.437 448 T N -0.256 114.207 114.554 -0.152 0.000 2.777 448 T HA -0.117 4.233 4.350 0.001 0.000 0.266 448 T C 2.027 176.630 174.700 -0.162 0.000 1.040 448 T CA 1.232 63.214 62.100 -0.197 0.000 1.141 448 T CB -0.135 68.641 68.868 -0.152 0.000 0.868 448 T HN 0.438 nan 8.240 nan 0.000 0.444 449 A N 0.862 123.581 122.820 -0.168 0.000 1.902 449 A HA -0.047 4.273 4.320 0.001 0.000 0.217 449 A C 2.546 179.979 177.584 -0.252 0.000 1.181 449 A CA 1.305 53.225 52.037 -0.194 0.000 0.623 449 A CB -0.966 17.908 19.000 -0.211 0.000 0.818 449 A HN 0.355 nan 8.150 nan 0.000 0.443 450 V N -0.344 119.372 119.914 -0.330 0.000 2.453 450 V HA -0.152 3.969 4.120 0.001 0.000 0.247 450 V C 2.877 178.927 176.094 -0.074 0.000 1.048 450 V CA 1.594 63.655 62.300 -0.398 0.000 1.049 450 V CB -0.876 30.697 31.823 -0.417 0.000 0.672 450 V HN 0.593 nan 8.190 nan 0.000 0.457 451 A N -0.746 122.134 122.820 0.100 0.000 2.216 451 A HA -0.144 4.177 4.320 0.001 0.000 0.214 451 A C 1.994 179.773 177.584 0.325 0.000 1.160 451 A CA 0.880 53.134 52.037 0.362 0.000 0.725 451 A CB -0.237 18.750 19.000 -0.021 0.000 0.784 451 A HN 0.550 nan 8.150 nan 0.000 0.472 452 Q N -0.509 119.341 119.800 0.082 0.000 2.432 452 Q HA 0.124 4.465 4.340 0.001 0.000 0.205 452 Q C 0.316 176.319 176.000 0.004 0.000 0.945 452 Q CA 0.263 56.095 55.803 0.048 0.000 0.924 452 Q CB -0.300 28.427 28.738 -0.018 0.000 1.016 452 Q HN 0.545 nan 8.270 nan 0.000 0.503 453 M N 1.642 121.225 119.600 -0.027 0.000 2.239 453 M HA 0.106 4.587 4.480 0.001 0.000 0.348 453 M C 0.378 176.661 176.300 -0.028 0.000 1.239 453 M CA 0.337 55.612 55.300 -0.041 0.000 1.114 453 M CB 0.221 32.779 32.600 -0.069 0.000 1.641 453 M HN -0.256 nan 8.290 nan 0.000 0.453 454 K N 3.173 123.556 120.400 -0.029 0.000 2.098 454 K HA 0.541 4.861 4.320 0.001 0.000 0.261 454 K C -2.323 174.230 176.600 -0.078 0.000 0.987 454 K CA -1.820 54.421 56.287 -0.078 0.000 0.916 454 K CB 0.277 32.725 32.500 -0.087 0.000 1.039 454 K HN 0.301 nan 8.250 nan 0.000 0.455 455 P HA -0.059 nan 4.420 nan 0.000 0.271 455 P C -0.243 176.674 177.300 -0.638 0.000 1.238 455 P CA 0.302 63.054 63.100 -0.580 0.000 0.794 455 P CB 0.289 31.614 31.700 -0.625 0.000 0.959 456 D N -1.276 118.403 120.400 -1.202 0.000 2.870 456 D HA -0.137 4.504 4.640 0.001 0.000 0.228 456 D C -0.857 175.247 176.300 -0.328 0.000 1.147 456 D CA 1.469 54.965 54.000 -0.839 0.000 0.757 456 D CB -1.489 39.051 40.800 -0.433 0.000 1.091 456 D HN 0.459 nan 8.370 nan 0.000 0.429 457 S N -3.756 111.794 115.700 -0.250 0.000 2.596 457 S HA 0.684 5.155 4.470 0.001 0.000 0.270 457 S C 1.334 175.948 174.600 0.023 0.000 1.155 457 S CA -0.293 57.870 58.200 -0.062 0.000 0.827 457 S CB 1.558 64.746 63.200 -0.020 0.000 1.130 457 S HN 0.091 nan 8.310 nan 0.000 0.467 458 G N 0.428 109.272 108.800 0.073 0.000 2.443 458 G HA2 0.172 4.133 3.960 0.001 0.000 0.219 458 G HA3 0.172 4.133 3.960 0.001 0.000 0.219 458 G C 1.303 176.303 174.900 0.166 0.000 1.131 458 G CA 0.681 45.851 45.100 0.117 0.000 0.775 458 G HN 1.303 nan 8.290 nan 0.000 0.547 459 A N -0.346 122.581 122.820 0.178 0.000 2.168 459 A HA 0.158 4.479 4.320 0.001 0.000 0.215 459 A C 1.038 178.766 177.584 0.240 0.000 1.152 459 A CA -0.201 51.991 52.037 0.259 0.000 0.716 459 A CB -0.510 18.630 19.000 0.233 0.000 0.794 459 A HN 0.421 nan 8.150 nan 0.000 0.465 460 Y N 2.558 122.885 120.300 0.044 0.000 2.802 460 Y HA 0.186 4.737 4.550 0.001 0.000 0.333 460 Y C -2.341 173.587 175.900 0.048 0.000 1.244 460 Y CA -2.248 55.842 58.100 -0.017 0.000 1.558 460 Y CB 0.371 38.765 38.460 -0.111 0.000 1.233 460 Y HN 0.151 nan 8.280 nan 0.000 0.547 461 P HA 0.079 nan 4.420 nan 0.000 0.285 461 P C -1.329 175.556 177.300 -0.692 0.000 1.259 461 P CA -0.339 62.440 63.100 -0.534 0.000 0.794 461 P CB 1.341 32.691 31.700 -0.584 0.000 0.940 462 Q N 2.645 122.231 119.800 -0.357 0.000 2.278 462 Q HA 0.421 4.762 4.340 0.001 0.000 0.257 462 Q C -0.547 175.309 176.000 -0.240 0.000 0.928 462 Q CA -0.182 55.527 55.803 -0.157 0.000 0.932 462 Q CB 0.767 29.521 28.738 0.028 0.000 1.221 462 Q HN 0.420 nan 8.270 nan 0.000 0.434 463 F N 0.472 120.505 119.950 0.139 0.000 2.507 463 F HA 0.740 5.268 4.527 0.001 0.000 0.327 463 F C 0.200 176.077 175.800 0.129 0.000 1.068 463 F CA -1.002 57.089 58.000 0.152 0.000 0.965 463 F CB 1.718 40.786 39.000 0.112 0.000 1.192 463 F HN 0.467 nan 8.300 nan 0.000 0.476 464 A N 1.574 124.610 122.820 0.361 0.000 2.449 464 A HA 0.643 4.964 4.320 0.001 0.000 0.302 464 A C -0.245 177.490 177.584 0.251 0.000 1.048 464 A CA -0.762 51.423 52.037 0.246 0.000 0.708 464 A CB 0.861 19.973 19.000 0.187 0.000 1.274 464 A HN 0.821 nan 8.150 nan 0.000 0.410 465 N N -0.954 117.843 118.700 0.160 0.000 2.782 465 N HA -0.141 4.600 4.740 0.001 0.000 0.251 465 N C -0.568 174.974 175.510 0.054 0.000 1.101 465 N CA 1.426 54.549 53.050 0.122 0.000 0.764 465 N CB -1.366 37.230 38.487 0.181 0.000 1.122 465 N HN 0.641 nan 8.380 nan 0.000 0.561 466 V N 0.186 120.102 119.914 0.004 0.000 2.604 466 V HA 0.755 4.876 4.120 0.001 0.000 0.305 466 V C 0.132 176.053 176.094 -0.288 0.000 1.043 466 V CA -0.553 61.652 62.300 -0.158 0.000 0.888 466 V CB 2.219 33.928 31.823 -0.191 0.000 0.995 466 V HN 0.306 nan 8.190 nan 0.000 0.429 467 S N 4.179 119.702 115.700 -0.296 0.000 2.536 467 S HA 0.981 5.451 4.470 0.001 0.000 0.287 467 S C -0.966 173.470 174.600 -0.274 0.000 1.101 467 S CA -0.699 57.285 58.200 -0.361 0.000 0.950 467 S CB 2.267 65.342 63.200 -0.209 0.000 1.056 467 S HN 1.120 nan 8.310 nan 0.000 0.481 468 F N -1.581 118.184 119.950 -0.308 0.000 2.770 468 F HA 0.743 5.271 4.527 0.001 0.000 0.313 468 F C -2.272 173.340 175.800 -0.314 0.000 1.154 468 F CA -1.464 56.347 58.000 -0.315 0.000 0.923 468 F CB 0.545 39.316 39.000 -0.381 0.000 1.301 468 F HN 0.420 nan 8.300 nan 0.000 0.449 469 V N 1.961 121.950 119.914 0.124 0.000 2.350 469 V HA 0.812 4.933 4.120 0.001 0.000 0.285 469 V C 0.038 176.126 176.094 -0.011 0.000 1.014 469 V CA -0.547 61.778 62.300 0.042 0.000 0.831 469 V CB 0.783 32.601 31.823 -0.007 0.000 1.000 469 V HN 1.184 nan 8.190 nan 0.000 0.433 470 A N 5.844 128.610 122.820 -0.090 0.000 2.301 470 A HA 0.874 5.195 4.320 0.001 0.000 0.298 470 A C -0.041 177.515 177.584 -0.047 0.000 1.185 470 A CA -0.495 51.400 52.037 -0.237 0.000 0.830 470 A CB 0.565 19.267 19.000 -0.496 0.000 1.112 470 A HN 0.952 nan 8.150 nan 0.000 0.508 471 K N 1.819 122.195 120.400 -0.041 0.000 2.569 471 K HA 0.459 4.780 4.320 0.001 0.000 0.259 471 K C -1.391 175.207 176.600 -0.003 0.000 0.932 471 K CA -0.759 55.537 56.287 0.015 0.000 0.833 471 K CB 1.415 33.926 32.500 0.018 0.000 1.340 471 K HN 0.513 nan 8.250 nan 0.000 0.429 472 D N 1.034 121.446 120.400 0.019 0.000 3.041 472 D HA -0.180 4.461 4.640 0.001 0.000 0.220 472 D C 0.685 176.981 176.300 -0.006 0.000 1.157 472 D CA 1.460 55.463 54.000 0.005 0.000 0.876 472 D CB -1.422 39.374 40.800 -0.007 0.000 1.107 472 D HN 1.274 nan 8.370 nan 0.000 0.422 473 G N 0.675 109.477 108.800 0.003 0.000 2.225 473 G HA2 -0.356 3.605 3.960 0.001 0.000 0.267 473 G HA3 -0.356 3.605 3.960 0.001 0.000 0.267 473 G C 0.120 174.978 174.900 -0.070 0.000 1.024 473 G CA 1.117 46.206 45.100 -0.018 0.000 0.784 473 G HN 0.614 nan 8.290 nan 0.000 0.507 474 K N -0.227 120.116 120.400 -0.095 0.000 2.422 474 K HA 0.642 4.963 4.320 0.001 0.000 0.251 474 K C -0.310 176.169 176.600 -0.201 0.000 0.933 474 K CA -1.066 55.142 56.287 -0.130 0.000 0.798 474 K CB 1.142 33.591 32.500 -0.087 0.000 1.238 474 K HN 0.114 nan 8.250 nan 0.000 0.428 475 L N 4.072 125.136 121.223 -0.264 0.000 2.257 475 L HA 0.349 4.690 4.340 0.001 0.000 0.290 475 L C -0.079 176.674 176.870 -0.195 0.000 1.044 475 L CA -0.869 53.758 54.840 -0.354 0.000 0.810 475 L CB 0.958 42.693 42.059 -0.541 0.000 1.193 475 L HN 0.488 nan 8.230 nan 0.000 0.425 476 N N 2.850 121.470 118.700 -0.134 0.000 2.487 476 N HA 0.145 4.886 4.740 0.001 0.000 0.292 476 N C -0.264 175.217 175.510 -0.049 0.000 1.108 476 N CA -0.501 52.504 53.050 -0.076 0.000 0.956 476 N CB 1.491 39.947 38.487 -0.053 0.000 1.176 476 N HN 0.540 nan 8.380 nan 0.000 0.484 477 D N 0.349 120.721 120.400 -0.047 0.000 2.701 477 D HA -0.198 4.443 4.640 0.001 0.000 0.235 477 D C -0.119 176.155 176.300 -0.043 0.000 1.155 477 D CA 0.446 54.422 54.000 -0.042 0.000 0.649 477 D CB -0.795 39.983 40.800 -0.036 0.000 1.050 477 D HN 0.347 nan 8.370 nan 0.000 0.425 478 L N 0.560 121.750 121.223 -0.056 0.000 2.513 478 L HA 0.069 4.410 4.340 0.001 0.000 0.272 478 L C 0.380 177.188 176.870 -0.104 0.000 1.187 478 L CA 0.916 55.714 54.840 -0.071 0.000 0.895 478 L CB 0.227 42.215 42.059 -0.118 0.000 1.147 478 L HN -0.028 nan 8.230 nan 0.000 0.483 479 K N 5.954 126.279 120.400 -0.124 0.000 2.464 479 K HA 0.554 4.875 4.320 0.001 0.000 0.253 479 K C -1.416 175.073 176.600 -0.184 0.000 0.933 479 K CA -0.867 55.343 56.287 -0.129 0.000 0.801 479 K CB 2.190 34.638 32.500 -0.087 0.000 1.271 479 K HN 0.332 nan 8.250 nan 0.000 0.430 480 I N 3.004 123.460 120.570 -0.191 0.000 2.362 480 I HA 0.181 4.352 4.170 0.001 0.000 0.289 480 I C 0.088 176.192 176.117 -0.021 0.000 0.994 480 I CA -0.609 60.582 61.300 -0.181 0.000 1.158 480 I CB 0.930 38.742 38.000 -0.313 0.000 1.315 480 I HN 0.703 nan 8.210 nan 0.000 0.451 481 K N 4.337 124.742 120.400 0.007 0.000 3.071 481 K HA -0.212 4.109 4.320 0.001 0.000 0.265 481 K C 0.945 177.553 176.600 0.013 0.000 1.060 481 K CA 0.686 56.994 56.287 0.034 0.000 0.767 481 K CB -1.490 31.053 32.500 0.071 0.000 1.241 481 K HN 1.187 nan 8.250 nan 0.000 0.486 482 G N -0.669 108.122 108.800 -0.015 0.000 2.155 482 G HA2 -0.307 3.654 3.960 0.001 0.000 0.257 482 G HA3 -0.307 3.654 3.960 0.001 0.000 0.257 482 G C -0.311 174.582 174.900 -0.011 0.000 0.983 482 G CA 0.623 45.712 45.100 -0.018 0.000 0.676 482 G HN 0.317 nan 8.290 nan 0.000 0.528 483 E N 0.253 120.451 120.200 -0.004 0.000 2.238 483 E HA 0.461 4.812 4.350 0.001 0.000 0.267 483 E C -2.589 174.007 176.600 -0.006 0.000 0.887 483 E CA -2.123 54.283 56.400 0.010 0.000 0.769 483 E CB 1.972 31.699 29.700 0.045 0.000 1.187 483 E HN 0.054 nan 8.360 nan 0.000 0.416 484 P HA -0.012 nan 4.420 nan 0.000 0.267 484 P C -0.205 177.095 177.300 0.001 0.000 1.200 484 P CA -0.159 62.928 63.100 -0.020 0.000 0.772 484 P CB 0.451 32.146 31.700 -0.009 0.000 0.855 485 V N 3.183 123.065 119.914 -0.053 0.000 2.572 485 V HA 0.055 4.176 4.120 0.001 0.000 0.291 485 V C 0.668 176.800 176.094 0.065 0.000 1.039 485 V CA 0.401 62.669 62.300 -0.053 0.000 1.055 485 V CB 0.378 32.075 31.823 -0.209 0.000 0.969 485 V HN 0.546 nan 8.190 nan 0.000 0.482 486 D N 7.164 127.688 120.400 0.206 0.000 2.280 486 D HA 0.301 4.942 4.640 0.001 0.000 0.236 486 D C -1.585 174.820 176.300 0.176 0.000 1.082 486 D CA -2.103 51.988 54.000 0.151 0.000 0.834 486 D CB 2.444 43.322 40.800 0.130 0.000 1.100 486 D HN 0.220 nan 8.370 nan 0.000 0.486 487 P HA -0.063 nan 4.420 nan 0.000 0.222 487 P C 0.717 178.078 177.300 0.101 0.000 1.147 487 P CA 0.638 63.795 63.100 0.095 0.000 0.790 487 P CB 0.325 32.057 31.700 0.053 0.000 0.780 488 A N -0.871 121.997 122.820 0.080 0.000 2.147 488 A HA 0.038 4.358 4.320 0.001 0.000 0.211 488 A C 1.350 178.956 177.584 0.037 0.000 1.160 488 A CA 0.073 52.142 52.037 0.053 0.000 0.781 488 A CB -0.578 18.441 19.000 0.030 0.000 0.842 488 A HN 0.102 nan 8.150 nan 0.000 0.475 489 K N 0.701 121.122 120.400 0.036 0.000 2.237 489 K HA 0.286 4.607 4.320 0.001 0.000 0.270 489 K C -0.868 175.663 176.600 -0.115 0.000 1.015 489 K CA 0.012 56.236 56.287 -0.104 0.000 0.949 489 K CB 0.437 32.789 32.500 -0.247 0.000 0.976 489 K HN 0.125 nan 8.250 nan 0.000 0.472 490 T N 3.746 118.190 114.554 -0.185 0.000 2.744 490 T HA 0.265 4.616 4.350 0.001 0.000 0.291 490 T C -1.149 173.425 174.700 -0.209 0.000 0.957 490 T CA -0.168 61.888 62.100 -0.073 0.000 1.002 490 T CB 0.065 68.919 68.868 -0.024 0.000 0.919 490 T HN 0.318 nan 8.240 nan 0.000 0.468 491 Y N 1.622 121.992 120.300 0.117 0.000 2.409 491 Y HA 0.529 5.080 4.550 0.001 0.000 0.339 491 Y C 0.600 176.597 175.900 0.163 0.000 1.033 491 Y CA -1.232 56.976 58.100 0.180 0.000 1.094 491 Y CB 1.363 40.000 38.460 0.295 0.000 1.210 491 Y HN 0.426 nan 8.280 nan 0.000 0.456 492 R N 4.719 125.359 120.500 0.234 0.000 2.255 492 R HA 0.571 4.912 4.340 0.001 0.000 0.326 492 R C -0.990 175.248 176.300 -0.103 0.000 0.986 492 R CA -0.603 55.528 56.100 0.052 0.000 0.847 492 R CB 0.514 30.758 30.300 -0.092 0.000 1.111 492 R HN 0.871 nan 8.270 nan 0.000 0.452 493 M N 2.770 122.186 119.600 -0.306 0.000 2.508 493 M HA 0.676 5.157 4.480 0.001 0.000 0.327 493 M C -1.050 175.108 176.300 -0.236 0.000 1.160 493 M CA -0.644 54.276 55.300 -0.634 0.000 0.980 493 M CB 2.282 34.009 32.600 -1.456 0.000 1.693 493 M HN 0.514 nan 8.290 nan 0.000 0.452 494 A N 1.846 124.555 122.820 -0.185 0.000 2.312 494 A HA 0.886 5.207 4.320 0.001 0.000 0.326 494 A C -0.253 177.329 177.584 -0.003 0.000 1.172 494 A CA -0.397 51.629 52.037 -0.018 0.000 0.821 494 A CB 1.492 20.496 19.000 0.008 0.000 1.166 494 A HN 0.988 nan 8.150 nan 0.000 0.493 495 T N 0.362 114.951 114.554 0.058 0.000 2.649 495 T HA 0.485 4.835 4.350 0.001 0.000 0.305 495 T C -1.605 173.158 174.700 0.105 0.000 1.409 495 T CA -0.458 61.692 62.100 0.082 0.000 1.021 495 T CB 0.406 69.338 68.868 0.106 0.000 1.726 495 T HN 0.427 nan 8.240 nan 0.000 0.475 496 L N 3.436 124.729 121.223 0.117 0.000 2.343 496 L HA 0.426 4.767 4.340 0.001 0.000 0.275 496 L C 1.819 178.790 176.870 0.168 0.000 1.056 496 L CA -0.249 54.679 54.840 0.146 0.000 0.804 496 L CB 1.140 43.301 42.059 0.170 0.000 1.203 496 L HN 0.926 nan 8.230 nan 0.000 0.440 497 N N 2.167 120.977 118.700 0.183 0.000 2.060 497 N HA -0.326 4.415 4.740 0.001 0.000 0.195 497 N C 1.623 177.237 175.510 0.173 0.000 1.028 497 N CA 1.660 54.825 53.050 0.192 0.000 0.861 497 N CB -0.991 37.605 38.487 0.182 0.000 1.029 497 N HN 0.582 nan 8.380 nan 0.000 0.428 498 F N 2.107 122.091 119.950 0.056 0.000 2.043 498 F HA -0.225 4.303 4.527 0.001 0.000 0.297 498 F C 1.993 177.775 175.800 -0.029 0.000 1.118 498 F CA 1.944 59.955 58.000 0.019 0.000 1.202 498 F CB -0.553 38.455 39.000 0.014 0.000 0.965 498 F HN 0.046 nan 8.300 nan 0.000 0.482 499 N N 0.527 119.147 118.700 -0.134 0.000 2.142 499 N HA -0.138 4.602 4.740 0.001 0.000 0.186 499 N C 2.010 177.469 175.510 -0.085 0.000 1.023 499 N CA 1.370 54.240 53.050 -0.299 0.000 0.852 499 N CB -0.684 37.621 38.487 -0.303 0.000 0.998 499 N HN 0.434 nan 8.380 nan 0.000 0.424 500 A N 0.919 123.750 122.820 0.018 0.000 1.972 500 A HA -0.108 4.213 4.320 0.001 0.000 0.219 500 A C 2.120 179.652 177.584 -0.087 0.000 1.169 500 A CA 1.921 53.977 52.037 0.031 0.000 0.635 500 A CB -0.774 18.308 19.000 0.135 0.000 0.810 500 A HN 0.486 nan 8.150 nan 0.000 0.446 501 T N -4.715 109.777 114.554 -0.104 0.000 3.188 501 T HA 0.441 4.791 4.350 0.001 0.000 0.250 501 T C 1.183 175.801 174.700 -0.136 0.000 1.077 501 T CA 0.975 62.996 62.100 -0.130 0.000 0.967 501 T CB 0.153 68.971 68.868 -0.084 0.000 1.006 501 T HN 1.605 nan 8.240 nan 0.000 0.552 502 G N 0.367 109.081 108.800 -0.143 0.000 2.184 502 G HA2 -0.058 3.903 3.960 0.001 0.000 0.206 502 G HA3 -0.058 3.903 3.960 0.001 0.000 0.206 502 G C 0.500 175.247 174.900 -0.254 0.000 0.995 502 G CA -0.328 44.694 45.100 -0.131 0.000 0.651 502 G HN 0.990 nan 8.290 nan 0.000 0.511 503 G N -0.037 108.405 108.800 -0.595 0.000 2.474 503 G HA2 0.423 4.384 3.960 0.001 0.000 0.233 503 G HA3 0.423 4.384 3.960 0.001 0.000 0.233 503 G C 0.594 175.117 174.900 -0.629 0.000 1.278 503 G CA 0.981 45.410 45.100 -1.118 0.000 0.861 503 G HN 0.782 nan 8.290 nan 0.000 0.567 504 D N -0.075 120.179 120.400 -0.243 0.000 2.955 504 D HA -0.204 4.437 4.640 0.001 0.000 0.226 504 D C 1.636 178.041 176.300 0.176 0.000 1.178 504 D CA 2.614 56.669 54.000 0.091 0.000 0.808 504 D CB -1.249 39.673 40.800 0.203 0.000 1.099 504 D HN 1.747 nan 8.370 nan 0.000 0.421 505 G N -1.577 107.262 108.800 0.065 0.000 2.148 505 G HA2 -0.391 3.569 3.960 0.001 0.000 0.254 505 G HA3 -0.391 3.569 3.960 0.001 0.000 0.254 505 G C 0.225 175.183 174.900 0.097 0.000 0.981 505 G CA 0.353 45.488 45.100 0.058 0.000 0.670 505 G HN 0.417 nan 8.290 nan 0.000 0.528 506 Y N 0.746 120.983 120.300 -0.106 0.000 2.457 506 Y HA 0.407 4.958 4.550 0.001 0.000 0.341 506 Y C -1.495 174.374 175.900 -0.051 0.000 1.240 506 Y CA -1.848 56.201 58.100 -0.086 0.000 1.437 506 Y CB 0.198 38.632 38.460 -0.042 0.000 1.328 506 Y HN 0.007 nan 8.280 nan 0.000 0.588 507 P HA 0.065 nan 4.420 nan 0.000 0.263 507 P C -0.486 176.921 177.300 0.178 0.000 1.195 507 P CA 0.082 63.243 63.100 0.102 0.000 0.762 507 P CB 0.353 32.118 31.700 0.108 0.000 0.799 508 R N 2.859 123.400 120.500 0.069 0.000 2.538 508 R HA 0.062 4.403 4.340 0.001 0.000 0.282 508 R C 0.885 177.186 176.300 0.001 0.000 1.009 508 R CA 0.289 56.391 56.100 0.004 0.000 1.063 508 R CB 0.084 30.355 30.300 -0.048 0.000 0.945 508 R HN 0.569 nan 8.270 nan 0.000 0.414 509 L N 2.165 123.336 121.223 -0.087 0.000 2.781 509 L HA 0.020 4.361 4.340 0.001 0.000 0.245 509 L C 1.519 178.118 176.870 -0.451 0.000 1.118 509 L CA 0.001 54.754 54.840 -0.145 0.000 0.918 509 L CB 0.103 42.127 42.059 -0.059 0.000 1.246 509 L HN 0.706 nan 8.230 nan 0.000 0.526 510 D N 0.390 120.384 120.400 -0.678 0.000 2.269 510 D HA -0.166 4.475 4.640 0.001 0.000 0.208 510 D C 1.105 177.084 176.300 -0.536 0.000 0.963 510 D CA 0.955 54.233 54.000 -1.203 0.000 0.864 510 D CB -0.261 40.035 40.800 -0.840 0.000 0.936 510 D HN 0.404 nan 8.370 nan 0.000 0.505 511 N N 0.429 118.963 118.700 -0.276 0.000 2.398 511 N HA -0.051 4.690 4.740 0.001 0.000 0.188 511 N C 0.109 175.585 175.510 -0.057 0.000 1.122 511 N CA 0.077 53.055 53.050 -0.120 0.000 0.866 511 N CB 0.027 38.464 38.487 -0.084 0.000 0.970 511 N HN -0.088 nan 8.380 nan 0.000 0.462 512 K N 1.546 121.915 120.400 -0.051 0.000 2.144 512 K HA 0.399 4.719 4.320 0.001 0.000 0.270 512 K C -2.389 174.249 176.600 0.064 0.000 1.005 512 K CA -2.120 54.178 56.287 0.018 0.000 0.932 512 K CB 0.384 32.905 32.500 0.036 0.000 1.021 512 K HN 0.086 nan 8.250 nan 0.000 0.462 513 P HA 0.136 nan 4.420 nan 0.000 0.271 513 P C 0.703 178.055 177.300 0.087 0.000 1.218 513 P CA 0.218 63.358 63.100 0.067 0.000 0.780 513 P CB 0.578 32.308 31.700 0.050 0.000 0.901 514 G N 0.651 109.502 108.800 0.084 0.000 2.241 514 G HA2 -0.290 3.671 3.960 0.001 0.000 0.244 514 G HA3 -0.290 3.671 3.960 0.001 0.000 0.244 514 G C -0.061 174.903 174.900 0.106 0.000 0.998 514 G CA -0.034 45.124 45.100 0.098 0.000 0.621 514 G HN 0.621 nan 8.290 nan 0.000 0.519 515 Y N 1.427 121.705 120.300 -0.037 0.000 2.425 515 Y HA 0.489 5.040 4.550 0.001 0.000 0.331 515 Y C 0.042 175.819 175.900 -0.204 0.000 1.157 515 Y CA 0.009 58.047 58.100 -0.103 0.000 1.372 515 Y CB 1.088 39.502 38.460 -0.075 0.000 1.253 515 Y HN 0.274 nan 8.280 nan 0.000 0.536 516 V N 6.801 126.083 119.914 -1.053 0.000 2.623 516 V HA 0.197 4.317 4.120 0.001 0.000 0.304 516 V C -0.874 174.478 176.094 -1.236 0.000 1.054 516 V CA -1.262 60.378 62.300 -1.100 0.000 0.882 516 V CB 1.760 32.846 31.823 -1.227 0.000 1.002 516 V HN 0.824 nan 8.190 nan 0.000 0.424 517 N N 2.625 120.784 118.700 -0.902 0.000 2.439 517 N HA 0.160 4.901 4.740 0.001 0.000 0.249 517 N C 1.110 176.392 175.510 -0.380 0.000 1.003 517 N CA 0.310 53.043 53.050 -0.529 0.000 0.942 517 N CB 2.000 40.324 38.487 -0.273 0.000 1.115 517 N HN 0.840 nan 8.380 nan 0.000 0.505 518 T N 0.426 114.792 114.554 -0.313 0.000 3.067 518 T HA 0.158 4.508 4.350 0.001 0.000 0.261 518 T C 1.330 175.710 174.700 -0.534 0.000 1.110 518 T CA 0.724 62.612 62.100 -0.353 0.000 1.113 518 T CB -0.192 68.582 68.868 -0.157 0.000 0.917 518 T HN 0.621 nan 8.240 nan 0.000 0.499 519 G N 0.897 109.484 108.800 -0.355 0.000 2.205 519 G HA2 -0.220 3.741 3.960 0.001 0.000 0.261 519 G HA3 -0.220 3.741 3.960 0.001 0.000 0.261 519 G C -0.095 174.646 174.900 -0.264 0.000 0.980 519 G CA -0.020 44.861 45.100 -0.365 0.000 0.632 519 G HN 0.541 nan 8.290 nan 0.000 0.533 520 F N 1.765 121.698 119.950 -0.027 0.000 2.443 520 F HA 0.518 5.046 4.527 0.001 0.000 0.353 520 F C 1.118 176.938 175.800 0.034 0.000 1.101 520 F CA -1.314 56.692 58.000 0.009 0.000 1.226 520 F CB 0.536 39.552 39.000 0.026 0.000 1.140 520 F HN -0.090 nan 8.300 nan 0.000 0.557 521 I N 3.890 124.613 120.570 0.255 0.000 2.474 521 I HA 0.035 4.206 4.170 0.001 0.000 0.287 521 I C 1.191 177.402 176.117 0.157 0.000 1.048 521 I CA -0.571 60.839 61.300 0.183 0.000 1.383 521 I CB 0.805 38.907 38.000 0.171 0.000 1.412 521 I HN 0.604 nan 8.210 nan 0.000 0.531 522 D N 5.629 126.111 120.400 0.135 0.000 2.133 522 D HA -0.254 4.387 4.640 0.001 0.000 0.192 522 D C 1.682 178.026 176.300 0.074 0.000 1.001 522 D CA 1.996 56.057 54.000 0.101 0.000 0.844 522 D CB -0.220 40.637 40.800 0.096 0.000 0.944 522 D HN 0.573 nan 8.370 nan 0.000 0.447 523 A N 0.303 123.168 122.820 0.076 0.000 1.897 523 A HA -0.167 4.154 4.320 0.001 0.000 0.215 523 A C 2.216 179.843 177.584 0.072 0.000 1.181 523 A CA 1.549 53.621 52.037 0.058 0.000 0.620 523 A CB -0.635 18.396 19.000 0.052 0.000 0.821 523 A HN 0.232 nan 8.150 nan 0.000 0.443 524 E N 0.504 120.759 120.200 0.093 0.000 2.058 524 E HA -0.155 4.196 4.350 0.001 0.000 0.194 524 E C 2.061 178.694 176.600 0.056 0.000 0.997 524 E CA 1.815 58.270 56.400 0.091 0.000 0.801 524 E CB -0.342 29.428 29.700 0.115 0.000 0.746 524 E HN 0.291 nan 8.360 nan 0.000 0.450 525 V N 1.548 121.490 119.914 0.046 0.000 2.343 525 V HA -0.259 3.862 4.120 0.001 0.000 0.247 525 V C 2.680 178.797 176.094 0.038 0.000 1.051 525 V CA 1.680 63.983 62.300 0.005 0.000 1.036 525 V CB -0.606 31.221 31.823 0.006 0.000 0.654 525 V HN 0.260 nan 8.190 nan 0.000 0.451 526 L N 0.329 121.576 121.223 0.039 0.000 2.046 526 L HA -0.131 4.210 4.340 0.001 0.000 0.208 526 L C 2.398 179.307 176.870 0.066 0.000 1.077 526 L CA 2.030 56.899 54.840 0.047 0.000 0.747 526 L CB -0.869 41.200 42.059 0.016 0.000 0.896 526 L HN 0.189 nan 8.230 nan 0.000 0.432 527 K N -0.011 120.415 120.400 0.043 0.000 2.026 527 K HA -0.128 4.193 4.320 0.001 0.000 0.208 527 K C 1.920 178.526 176.600 0.010 0.000 1.048 527 K CA 1.549 57.845 56.287 0.015 0.000 0.929 527 K CB -0.316 32.212 32.500 0.046 0.000 0.713 527 K HN 0.438 nan 8.250 nan 0.000 0.439 528 A N 0.141 122.981 122.820 0.033 0.000 1.969 528 A HA -0.175 4.145 4.320 0.001 0.000 0.218 528 A C 2.125 179.725 177.584 0.026 0.000 1.169 528 A CA 1.259 53.306 52.037 0.017 0.000 0.635 528 A CB -0.761 18.242 19.000 0.005 0.000 0.810 528 A HN 0.538 nan 8.150 nan 0.000 0.445 529 Y N 0.428 120.701 120.300 -0.046 0.000 2.200 529 Y HA -0.146 4.405 4.550 0.001 0.000 0.290 529 Y C 1.964 177.844 175.900 -0.035 0.000 1.137 529 Y CA 1.684 59.763 58.100 -0.035 0.000 1.163 529 Y CB -0.216 38.226 38.460 -0.029 0.000 0.988 529 Y HN 0.261 nan 8.280 nan 0.000 0.518 530 I N 0.191 120.757 120.570 -0.008 0.000 2.163 530 I HA -0.389 3.782 4.170 0.001 0.000 0.243 530 I C 2.396 178.428 176.117 -0.141 0.000 1.085 530 I CA 1.769 63.013 61.300 -0.094 0.000 1.347 530 I CB -0.534 37.437 38.000 -0.050 0.000 1.044 530 I HN 0.323 nan 8.210 nan 0.000 0.408 531 Q N 0.864 120.596 119.800 -0.113 0.000 2.112 531 Q HA -0.264 4.077 4.340 0.001 0.000 0.206 531 Q C 2.042 177.972 176.000 -0.117 0.000 0.987 531 Q CA 2.100 57.839 55.803 -0.108 0.000 0.858 531 Q CB -0.163 28.527 28.738 -0.081 0.000 0.905 531 Q HN 0.577 nan 8.270 nan 0.000 0.420 532 K N -1.185 119.126 120.400 -0.149 0.000 2.426 532 K HA 0.157 4.477 4.320 0.001 0.000 0.193 532 K C 1.164 177.646 176.600 -0.197 0.000 1.028 532 K CA 0.904 57.103 56.287 -0.148 0.000 1.047 532 K CB 0.538 32.964 32.500 -0.122 0.000 0.821 532 K HN -0.124 nan 8.250 nan 0.000 0.513 533 S N 0.231 115.765 115.700 -0.275 0.000 2.540 533 S HA 0.064 4.535 4.470 0.001 0.000 0.222 533 S C 0.258 174.779 174.600 -0.132 0.000 1.008 533 S CA -0.528 57.512 58.200 -0.267 0.000 0.939 533 S CB 0.744 63.633 63.200 -0.518 0.000 0.865 533 S HN 0.357 nan 8.310 nan 0.000 0.499 534 S N 3.864 119.496 115.700 -0.113 0.000 2.564 534 S HA 0.318 4.789 4.470 0.001 0.000 0.278 534 S C -2.458 172.115 174.600 -0.045 0.000 1.333 534 S CA -1.104 57.056 58.200 -0.066 0.000 1.048 534 S CB 0.139 63.295 63.200 -0.072 0.000 0.900 534 S HN 0.135 nan 8.310 nan 0.000 0.505 535 P HA 0.273 nan 4.420 nan 0.000 0.279 535 P C -0.884 176.427 177.300 0.018 0.000 1.239 535 P CA -0.472 62.622 63.100 -0.009 0.000 0.789 535 P CB 0.402 32.100 31.700 -0.003 0.000 0.933 536 L N 2.265 123.510 121.223 0.037 0.000 2.367 536 L HA 0.221 4.562 4.340 0.001 0.000 0.275 536 L C 0.729 177.673 176.870 0.123 0.000 1.129 536 L CA -0.142 54.767 54.840 0.115 0.000 0.839 536 L CB 0.182 42.294 42.059 0.087 0.000 1.133 536 L HN 0.357 nan 8.230 nan 0.000 0.453 537 D N 2.133 122.632 120.400 0.164 0.000 2.412 537 D HA 0.159 4.800 4.640 0.001 0.000 0.224 537 D C 0.926 177.340 176.300 0.190 0.000 1.093 537 D CA -0.534 53.539 54.000 0.121 0.000 0.850 537 D CB 1.764 42.597 40.800 0.056 0.000 1.046 537 D HN 0.331 nan 8.370 nan 0.000 0.507 538 V N 2.267 122.291 119.914 0.183 0.000 2.828 538 V HA -0.189 3.932 4.120 0.001 0.000 0.260 538 V C 1.834 178.034 176.094 0.177 0.000 1.101 538 V CA 1.947 64.391 62.300 0.240 0.000 1.123 538 V CB -1.082 30.830 31.823 0.148 0.000 0.704 538 V HN 0.511 nan 8.190 nan 0.000 0.493 539 S N 0.058 115.810 115.700 0.087 0.000 2.402 539 S HA -0.107 4.364 4.470 0.001 0.000 0.229 539 S C 1.838 176.424 174.600 -0.023 0.000 1.021 539 S CA 1.409 59.630 58.200 0.036 0.000 0.974 539 S CB -0.619 62.591 63.200 0.017 0.000 0.800 539 S HN 0.469 nan 8.310 nan 0.000 0.484 540 V N 0.395 120.243 119.914 -0.109 0.000 2.594 540 V HA -0.102 4.019 4.120 0.001 0.000 0.253 540 V C 1.469 177.288 176.094 -0.458 0.000 1.069 540 V CA 1.436 63.539 62.300 -0.328 0.000 1.082 540 V CB -0.936 30.583 31.823 -0.507 0.000 0.680 540 V HN 0.626 nan 8.190 nan 0.000 0.469 541 Y N -0.996 119.340 120.300 0.059 0.000 2.485 541 Y HA 0.386 4.937 4.550 0.001 0.000 0.260 541 Y C 0.907 176.844 175.900 0.061 0.000 1.173 541 Y CA -0.906 57.233 58.100 0.065 0.000 1.252 541 Y CB 0.116 38.620 38.460 0.072 0.000 1.123 541 Y HN 0.157 nan 8.280 nan 0.000 0.524 542 E N 2.458 122.733 120.200 0.124 0.000 2.223 542 E HA 0.232 4.583 4.350 0.001 0.000 0.282 542 E C -2.660 173.993 176.600 0.089 0.000 1.046 542 E CA -2.700 53.764 56.400 0.107 0.000 0.857 542 E CB 0.571 30.316 29.700 0.074 0.000 1.055 542 E HN 0.004 nan 8.360 nan 0.000 0.409 543 P HA 0.117 nan 4.420 nan 0.000 0.268 543 P C -0.853 176.487 177.300 0.067 0.000 1.205 543 P CA 0.085 63.240 63.100 0.092 0.000 0.771 543 P CB 0.556 32.329 31.700 0.123 0.000 0.858 544 K N 1.573 122.000 120.400 0.044 0.000 3.123 544 K HA 0.347 4.668 4.320 0.001 0.000 0.209 544 K C 0.620 177.230 176.600 0.017 0.000 1.132 544 K CA -0.150 56.155 56.287 0.030 0.000 0.992 544 K CB 0.119 32.629 32.500 0.017 0.000 0.773 544 K HN 0.731 nan 8.250 nan 0.000 0.458 545 G N 1.532 110.348 108.800 0.027 0.000 2.198 545 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 545 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 545 G C 0.562 175.424 174.900 -0.064 0.000 1.025 545 G CA 0.688 45.792 45.100 0.007 0.000 0.769 545 G HN 0.443 nan 8.290 nan 0.000 0.507 546 E N -0.852 119.296 120.200 -0.086 0.000 2.118 546 E HA 0.090 4.440 4.350 0.001 0.000 0.195 546 E C 1.811 178.202 176.600 -0.347 0.000 0.992 546 E CA 1.416 57.717 56.400 -0.165 0.000 0.804 546 E CB -0.037 29.584 29.700 -0.133 0.000 0.741 546 E HN 1.233 nan 8.360 nan 0.000 0.458 547 V N -1.204 118.451 119.914 -0.431 0.000 2.483 547 V HA 0.749 4.870 4.120 0.001 0.000 0.295 547 V C -0.250 175.543 176.094 -0.501 0.000 1.035 547 V CA -0.590 61.180 62.300 -0.882 0.000 0.896 547 V CB 1.846 32.865 31.823 -1.340 0.000 0.986 547 V HN 0.108 nan 8.190 nan 0.000 0.447 548 S N 3.272 118.643 115.700 -0.548 0.000 2.570 548 S HA 0.722 5.193 4.470 0.001 0.000 0.270 548 S C -1.516 172.994 174.600 -0.151 0.000 1.149 548 S CA -0.778 57.352 58.200 -0.117 0.000 0.837 548 S CB 1.921 65.141 63.200 0.034 0.000 1.124 548 S HN 0.930 nan 8.310 nan 0.000 0.465 549 W N 0.845 122.253 121.300 0.181 0.000 2.600 549 W HA 0.427 5.088 4.660 0.001 0.000 0.325 549 W C -0.457 176.126 176.519 0.107 0.000 1.034 549 W CA -0.476 56.968 57.345 0.165 0.000 1.226 549 W CB 2.130 31.697 29.460 0.179 0.000 1.379 549 W HN 0.719 nan 8.180 nan 0.000 0.466 550 Q N 2.365 122.315 119.800 0.250 0.000 2.314 550 Q HA 0.467 4.808 4.340 0.001 0.000 0.257 550 Q C 0.082 176.178 176.000 0.160 0.000 0.975 550 Q CA 0.795 56.697 55.803 0.164 0.000 0.933 550 Q CB 0.896 29.693 28.738 0.099 0.000 1.195 550 Q HN 0.607 nan 8.270 nan 0.000 0.426 551 E N 0.000 120.283 120.200 0.139 0.000 2.725 551 E HA 0.000 4.351 4.350 0.001 0.000 0.291 551 E CA 0.000 nan 56.400 nan 0.000 0.976 551 E CB 0.000 nan 29.700 nan 0.000 0.812 551 E HN 0.000 nan 8.360 nan 0.000 0.440