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 3b4w_1_A DATA FIRST_RESID 4 DATA SEQUENCE SATEYDKLFI GGKWTKPSTS DVIEVRCPAT GEYVGKVPMA AAADVDAAVA DATA SEQUENCE AARAAFDNGP WPSTPPHERA AVIAAAVKML AERKDLFTKL LAAETGQPPT DATA SEQUENCE IIETMHWMGS MGAMNYFAGA ADKVTWTETR TGSYGQSIVS REPVGVVGAI DATA SEQUENCE VAWNVPLFLA VNKIAPALLA GCTIVLKPAA ETPLTANALA EVFAEVGLPE DATA SEQUENCE GVLSVVPGGI ETGQALTSNP DIDMFTFTGS SAVGREVGRR AAEMLKPCTL DATA SEQUENCE ELGGKSAAII LEDVDLAAAI PMMVFSGVMN AGQGCVNQTR ILAPRSRYDE DATA SEQUENCE IVAAVTNFVT ALPVGPPSDP AAQIGPLISE KQRTRVEGYI AKGIEEGARL DATA SEQUENCE VCGGGRPEGL DNGFFIQPTV FADVDNKMTI AQEEIFGPVL AIIPYDTEED DATA SEQUENCE AIAIANDSVY GLAGSVWTTD VPKGIKISQQ IRTGTYGINW YAFDPGSPFG DATA SEQUENCE GYKNSGIGRE NGPEGVEHFT QQKSVLLPMG YTV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.572 174.600 -0.047 0.000 1.055 4 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 4 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 5 A N 2.184 124.988 122.820 -0.026 0.000 2.498 5 A HA 0.498 4.818 4.320 0.000 0.000 0.239 5 A C 0.118 177.644 177.584 -0.097 0.000 1.068 5 A CA 0.756 52.750 52.037 -0.071 0.000 0.766 5 A CB -0.016 19.003 19.000 0.033 0.000 1.003 5 A HN 0.264 nan 8.150 nan 0.000 0.497 6 T N 3.427 117.898 114.554 -0.139 0.000 2.781 6 T HA 0.421 4.771 4.350 0.000 0.000 0.305 6 T C -0.443 174.185 174.700 -0.120 0.000 1.001 6 T CA -0.094 61.921 62.100 -0.141 0.000 0.950 6 T CB 0.116 68.929 68.868 -0.092 0.000 0.955 6 T HN 0.682 nan 8.240 nan 0.000 0.471 7 E N 2.368 122.447 120.200 -0.201 0.000 2.234 7 E HA 0.406 4.756 4.350 0.000 0.000 0.266 7 E C -1.340 175.092 176.600 -0.280 0.000 0.877 7 E CA -0.808 55.531 56.400 -0.102 0.000 0.758 7 E CB 2.009 31.699 29.700 -0.016 0.000 1.170 7 E HN 0.531 nan 8.360 nan 0.000 0.415 8 Y N 0.979 121.254 120.300 -0.041 0.000 2.364 8 Y HA 0.191 4.741 4.550 0.000 0.000 0.340 8 Y C 0.340 176.240 175.900 -0.000 0.000 0.975 8 Y CA -0.596 57.463 58.100 -0.067 0.000 1.089 8 Y CB 1.597 40.038 38.460 -0.032 0.000 1.192 8 Y HN 0.517 nan 8.280 nan 0.000 0.454 9 D N 1.230 121.699 120.400 0.114 0.000 2.379 9 D HA 0.133 4.774 4.640 0.000 0.000 0.208 9 D C -0.141 176.258 176.300 0.166 0.000 1.065 9 D CA 0.684 54.751 54.000 0.112 0.000 0.848 9 D CB 0.478 41.310 40.800 0.053 0.000 0.949 9 D HN 0.451 nan 8.370 nan 0.000 0.509 10 K N -0.334 120.219 120.400 0.254 0.000 2.433 10 K HA 0.609 4.929 4.320 0.000 0.000 0.252 10 K C -0.796 176.114 176.600 0.518 0.000 1.015 10 K CA -0.827 55.671 56.287 0.351 0.000 0.860 10 K CB 2.394 35.139 32.500 0.408 0.000 1.359 10 K HN -0.195 nan 8.250 nan 0.000 0.452 11 L N 1.302 122.779 121.223 0.423 0.000 2.334 11 L HA 0.446 4.786 4.340 0.000 0.000 0.276 11 L C -0.595 176.346 176.870 0.119 0.000 1.014 11 L CA -0.758 54.265 54.840 0.304 0.000 0.815 11 L CB 1.108 43.251 42.059 0.141 0.000 1.268 11 L HN 0.533 nan 8.230 nan 0.000 0.428 12 F N 4.547 124.272 119.950 -0.375 0.000 2.619 12 F HA 0.289 4.817 4.527 0.000 0.000 0.350 12 F C -0.033 175.528 175.800 -0.399 0.000 1.259 12 F CA -0.489 57.025 58.000 -0.810 0.000 1.204 12 F CB 0.072 38.472 39.000 -0.999 0.000 1.556 12 F HN 0.170 nan 8.300 nan 0.000 0.650 13 I N 5.047 125.347 120.570 -0.449 0.000 2.291 13 I HA 0.206 4.376 4.170 0.000 0.000 0.290 13 I C 1.096 176.956 176.117 -0.428 0.000 1.050 13 I CA -0.337 60.775 61.300 -0.312 0.000 1.245 13 I CB 0.355 38.257 38.000 -0.164 0.000 1.405 13 I HN 0.736 nan 8.210 nan 0.000 0.478 14 G N 5.144 113.708 108.800 -0.395 0.000 2.366 14 G HA2 -0.153 3.807 3.960 0.000 0.000 0.299 14 G HA3 -0.153 3.807 3.960 0.000 0.000 0.299 14 G C 1.067 175.634 174.900 -0.554 0.000 1.020 14 G CA 0.803 45.677 45.100 -0.377 0.000 1.026 14 G HN 1.483 nan 8.290 nan 0.000 0.512 15 G N -1.618 106.539 108.800 -1.073 0.000 2.179 15 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 15 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 15 G C 0.236 174.517 174.900 -1.032 0.000 0.977 15 G CA 1.095 45.462 45.100 -1.221 0.000 0.641 15 G HN 1.166 nan 8.290 nan 0.000 0.533 16 K N -0.711 119.143 120.400 -0.910 0.000 2.345 16 K HA 0.424 4.745 4.320 0.000 0.000 0.255 16 K C -0.680 175.651 176.600 -0.449 0.000 0.934 16 K CA -0.998 54.996 56.287 -0.488 0.000 0.801 16 K CB 1.421 33.780 32.500 -0.235 0.000 1.137 16 K HN 0.155 nan 8.250 nan 0.000 0.424 17 W N 2.220 123.512 121.300 -0.013 0.000 2.469 17 W HA 0.081 4.741 4.660 0.000 0.000 0.321 17 W C 0.067 176.608 176.519 0.038 0.000 1.415 17 W CA 0.145 57.539 57.345 0.082 0.000 1.308 17 W CB 0.635 30.192 29.460 0.161 0.000 1.368 17 W HN 0.304 nan 8.180 nan 0.000 0.546 18 T N 4.184 118.877 114.554 0.231 0.000 2.861 18 T HA 0.191 4.542 4.350 0.000 0.000 0.287 18 T C -0.312 174.475 174.700 0.144 0.000 1.003 18 T CA -1.136 61.038 62.100 0.123 0.000 0.977 18 T CB 1.471 70.352 68.868 0.023 0.000 0.996 18 T HN 0.237 nan 8.240 nan 0.000 0.448 19 K N 3.945 124.411 120.400 0.110 0.000 2.489 19 K HA 0.112 4.432 4.320 0.000 0.000 0.278 19 K C -2.093 174.557 176.600 0.083 0.000 1.000 19 K CA -1.080 55.266 56.287 0.098 0.000 1.012 19 K CB 0.287 32.830 32.500 0.071 0.000 0.903 19 K HN 0.265 nan 8.250 nan 0.000 0.485 20 P HA -0.004 nan 4.420 nan 0.000 0.277 20 P C 0.046 177.379 177.300 0.055 0.000 1.240 20 P CA -0.304 62.841 63.100 0.075 0.000 0.798 20 P CB 1.394 33.146 31.700 0.086 0.000 0.979 21 S N 0.346 116.074 115.700 0.046 0.000 2.481 21 S HA -0.000 4.470 4.470 0.000 0.000 0.231 21 S C 0.926 175.547 174.600 0.035 0.000 0.996 21 S CA 0.959 59.180 58.200 0.036 0.000 0.942 21 S CB -0.892 62.325 63.200 0.030 0.000 0.768 21 S HN 0.773 nan 8.310 nan 0.000 0.520 22 T N -1.601 112.977 114.554 0.041 0.000 2.804 22 T HA 0.584 4.935 4.350 0.000 0.000 0.290 22 T C 0.478 175.204 174.700 0.044 0.000 1.099 22 T CA -0.055 62.068 62.100 0.038 0.000 1.011 22 T CB 1.350 70.240 68.868 0.036 0.000 1.291 22 T HN 0.201 nan 8.240 nan 0.000 0.523 23 S N -0.926 114.798 115.700 0.039 0.000 2.577 23 S HA 0.216 4.686 4.470 0.000 0.000 0.219 23 S C -0.170 174.457 174.600 0.045 0.000 0.962 23 S CA -0.482 57.743 58.200 0.041 0.000 0.921 23 S CB -0.547 62.673 63.200 0.033 0.000 0.789 23 S HN 0.697 nan 8.310 nan 0.000 0.497 24 D N 2.084 122.511 120.400 0.046 0.000 2.455 24 D HA 0.352 4.993 4.640 0.000 0.000 0.241 24 D C -0.313 176.023 176.300 0.060 0.000 1.138 24 D CA 0.333 54.361 54.000 0.048 0.000 0.877 24 D CB 1.287 42.114 40.800 0.046 0.000 1.187 24 D HN 0.091 nan 8.370 nan 0.000 0.451 25 V N 2.947 122.898 119.914 0.062 0.000 2.876 25 V HA 0.410 4.530 4.120 0.000 0.000 0.312 25 V C 0.135 176.277 176.094 0.081 0.000 1.085 25 V CA -0.835 61.512 62.300 0.078 0.000 0.945 25 V CB 2.144 34.017 31.823 0.082 0.000 1.017 25 V HN 0.340 nan 8.190 nan 0.000 0.428 26 I N 3.099 123.724 120.570 0.091 0.000 2.328 26 I HA 0.376 4.546 4.170 0.000 0.000 0.287 26 I C 0.223 176.407 176.117 0.111 0.000 1.012 26 I CA -0.267 61.086 61.300 0.088 0.000 1.195 26 I CB 1.117 39.163 38.000 0.077 0.000 1.350 26 I HN 0.621 nan 8.210 nan 0.000 0.464 27 E N 5.342 125.619 120.200 0.128 0.000 2.301 27 E HA 0.418 4.769 4.350 0.000 0.000 0.275 27 E C -0.941 175.723 176.600 0.105 0.000 1.030 27 E CA -0.595 55.917 56.400 0.187 0.000 0.852 27 E CB 2.308 32.165 29.700 0.263 0.000 1.060 27 E HN 0.261 nan 8.360 nan 0.000 0.401 28 V N 3.593 123.522 119.914 0.024 0.000 2.459 28 V HA 0.422 4.542 4.120 0.000 0.000 0.295 28 V C 0.015 176.069 176.094 -0.067 0.000 1.029 28 V CA -0.690 61.593 62.300 -0.028 0.000 0.874 28 V CB 1.417 33.203 31.823 -0.060 0.000 0.985 28 V HN 0.589 nan 8.190 nan 0.000 0.438 29 R N 1.934 122.435 120.500 0.001 0.000 2.807 29 R HA 0.530 4.870 4.340 0.000 0.000 0.276 29 R C -0.914 175.386 176.300 -0.000 0.000 0.979 29 R CA -0.604 55.504 56.100 0.014 0.000 0.928 29 R CB 2.052 32.399 30.300 0.078 0.000 1.191 29 R HN 0.760 nan 8.270 nan 0.000 0.471 30 C N 4.310 123.596 119.300 -0.023 0.000 2.627 30 C HA 0.220 4.680 4.460 0.000 0.000 0.404 30 C C -0.947 174.004 174.990 -0.064 0.000 1.340 30 C CA -1.753 57.242 59.018 -0.037 0.000 1.758 30 C CB 0.141 27.855 27.740 -0.042 0.000 2.501 30 C HN 0.636 nan 8.230 nan 0.000 0.588 31 P HA -0.010 nan 4.420 nan 0.000 0.230 31 P C 0.966 178.074 177.300 -0.319 0.000 1.158 31 P CA 1.422 64.473 63.100 -0.081 0.000 0.769 31 P CB 0.046 31.785 31.700 0.065 0.000 0.807 32 A N -0.065 122.629 122.820 -0.210 0.000 2.081 32 A HA 0.048 4.369 4.320 0.000 0.000 0.214 32 A C 1.865 179.424 177.584 -0.042 0.000 1.158 32 A CA 1.773 53.716 52.037 -0.156 0.000 0.724 32 A CB -0.833 18.174 19.000 0.013 0.000 0.826 32 A HN 0.348 nan 8.150 nan 0.000 0.463 33 T N -7.118 107.372 114.554 -0.106 0.000 3.046 33 T HA 0.414 4.764 4.350 0.000 0.000 0.270 33 T C 1.392 176.028 174.700 -0.106 0.000 0.920 33 T CA 1.049 63.108 62.100 -0.068 0.000 0.874 33 T CB 0.185 69.038 68.868 -0.024 0.000 1.214 33 T HN 1.645 nan 8.240 nan 0.000 0.536 34 G N 1.727 110.436 108.800 -0.153 0.000 2.184 34 G HA2 -0.259 3.701 3.960 0.000 0.000 0.264 34 G HA3 -0.259 3.701 3.960 0.000 0.000 0.264 34 G C -0.202 174.692 174.900 -0.011 0.000 0.975 34 G CA 0.296 45.335 45.100 -0.101 0.000 0.642 34 G HN 0.711 nan 8.290 nan 0.000 0.536 35 E N -0.490 119.707 120.200 -0.006 0.000 2.392 35 E HA 0.366 4.716 4.350 0.000 0.000 0.264 35 E C 0.176 176.821 176.600 0.075 0.000 1.024 35 E CA -0.736 55.687 56.400 0.038 0.000 0.903 35 E CB 0.565 30.276 29.700 0.019 0.000 0.963 35 E HN 0.365 nan 8.360 nan 0.000 0.432 36 Y N 3.084 123.380 120.300 -0.006 0.000 2.526 36 Y HA 0.078 4.628 4.550 0.000 0.000 0.330 36 Y C 0.800 176.700 175.900 -0.001 0.000 1.156 36 Y CA 0.082 58.182 58.100 0.001 0.000 1.419 36 Y CB 0.518 38.979 38.460 0.002 0.000 1.250 36 Y HN 0.318 nan 8.280 nan 0.000 0.540 37 V N 2.405 121.982 119.914 -0.563 0.000 3.485 37 V HA 0.757 4.877 4.120 0.000 0.000 0.280 37 V C 0.511 176.272 176.094 -0.556 0.000 1.495 37 V CA 0.566 62.613 62.300 -0.421 0.000 1.018 37 V CB -0.007 31.695 31.823 -0.202 0.000 0.818 37 V HN 1.145 nan 8.190 nan 0.000 0.436 38 G N 0.675 108.907 108.800 -0.948 0.000 2.315 38 G HA2 0.505 4.465 3.960 0.000 0.000 0.294 38 G HA3 0.505 4.465 3.960 0.000 0.000 0.294 38 G C -1.635 173.094 174.900 -0.285 0.000 1.300 38 G CA -0.282 44.498 45.100 -0.534 0.000 0.843 38 G HN 0.779 nan 8.290 nan 0.000 0.527 39 K N -2.022 118.385 120.400 0.011 0.000 2.575 39 K HA 0.808 5.129 4.320 0.000 0.000 0.279 39 K C -1.009 175.701 176.600 0.182 0.000 0.969 39 K CA -0.822 55.543 56.287 0.130 0.000 0.868 39 K CB 2.222 34.858 32.500 0.226 0.000 1.457 39 K HN 1.756 nan 8.250 nan 0.000 0.426 40 V N -3.290 116.720 119.914 0.160 0.000 3.114 40 V HA 0.660 4.780 4.120 0.000 0.000 0.308 40 V C -3.060 173.116 176.094 0.138 0.000 1.168 40 V CA -2.587 59.815 62.300 0.169 0.000 1.015 40 V CB 1.623 33.505 31.823 0.098 0.000 1.050 40 V HN 0.711 nan 8.190 nan 0.000 0.433 41 P HA 0.309 nan 4.420 nan 0.000 0.275 41 P C -0.522 176.835 177.300 0.095 0.000 1.228 41 P CA -0.309 62.860 63.100 0.115 0.000 0.786 41 P CB 0.450 32.225 31.700 0.126 0.000 0.927 42 M N 2.730 122.378 119.600 0.080 0.000 2.146 42 M HA 0.374 4.854 4.480 0.000 0.000 0.352 42 M C -0.208 176.131 176.300 0.065 0.000 1.343 42 M CA -0.416 54.925 55.300 0.069 0.000 1.115 42 M CB 0.253 32.890 32.600 0.061 0.000 1.657 42 M HN 0.348 nan 8.290 nan 0.000 0.471 43 A N 4.791 127.648 122.820 0.063 0.000 2.492 43 A HA 0.587 4.907 4.320 0.000 0.000 0.254 43 A C 0.056 177.670 177.584 0.048 0.000 1.091 43 A CA -0.057 52.014 52.037 0.056 0.000 0.768 43 A CB -0.134 18.898 19.000 0.053 0.000 1.028 43 A HN 0.990 nan 8.150 nan 0.000 0.498 44 A N 1.937 124.783 122.820 0.043 0.000 2.247 44 A HA 0.712 5.032 4.320 0.000 0.000 0.313 44 A C 1.564 179.168 177.584 0.033 0.000 1.109 44 A CA 0.073 52.132 52.037 0.037 0.000 0.890 44 A CB -0.014 19.006 19.000 0.034 0.000 1.239 44 A HN 1.933 nan 8.150 nan 0.000 0.506 45 A N -0.452 122.386 122.820 0.030 0.000 1.917 45 A HA 0.053 4.373 4.320 0.000 0.000 0.219 45 A C 2.337 179.935 177.584 0.024 0.000 1.182 45 A CA 2.824 54.877 52.037 0.028 0.000 0.633 45 A CB -1.275 17.739 19.000 0.024 0.000 0.819 45 A HN 1.739 nan 8.150 nan 0.000 0.448 46 A N 0.013 122.846 122.820 0.021 0.000 1.902 46 A HA -0.211 4.109 4.320 0.000 0.000 0.217 46 A C 1.796 179.389 177.584 0.015 0.000 1.181 46 A CA 1.783 53.830 52.037 0.017 0.000 0.623 46 A CB -0.591 18.419 19.000 0.017 0.000 0.818 46 A HN 0.588 nan 8.150 nan 0.000 0.443 47 D N -0.120 120.292 120.400 0.020 0.000 2.117 47 D HA -0.106 4.534 4.640 0.000 0.000 0.198 47 D C 2.097 178.404 176.300 0.010 0.000 0.982 47 D CA 1.615 55.626 54.000 0.017 0.000 0.828 47 D CB -0.377 40.442 40.800 0.030 0.000 0.967 47 D HN 0.265 nan 8.370 nan 0.000 0.464 48 V N 2.114 122.039 119.914 0.019 0.000 2.295 48 V HA -0.219 3.902 4.120 0.000 0.000 0.246 48 V C 1.977 178.077 176.094 0.010 0.000 1.049 48 V CA 1.745 64.057 62.300 0.019 0.000 1.024 48 V CB -0.474 31.371 31.823 0.036 0.000 0.648 48 V HN 0.026 nan 8.190 nan 0.000 0.447 49 D N 0.530 120.937 120.400 0.012 0.000 2.149 49 D HA -0.141 4.500 4.640 0.000 0.000 0.198 49 D C 2.212 178.507 176.300 -0.007 0.000 0.990 49 D CA 1.682 55.685 54.000 0.006 0.000 0.839 49 D CB -0.332 40.474 40.800 0.010 0.000 0.948 49 D HN 0.461 nan 8.370 nan 0.000 0.460 50 A N 0.907 123.721 122.820 -0.011 0.000 1.930 50 A HA -0.004 4.316 4.320 0.000 0.000 0.217 50 A C 2.308 179.866 177.584 -0.044 0.000 1.175 50 A CA 2.014 54.036 52.037 -0.025 0.000 0.627 50 A CB -0.593 18.393 19.000 -0.024 0.000 0.815 50 A HN 0.234 nan 8.150 nan 0.000 0.443 51 A N -0.488 122.305 122.820 -0.045 0.000 1.877 51 A HA 0.005 4.325 4.320 0.000 0.000 0.216 51 A C 2.219 179.766 177.584 -0.062 0.000 1.186 51 A CA 1.773 53.770 52.037 -0.065 0.000 0.620 51 A CB -0.936 18.033 19.000 -0.051 0.000 0.822 51 A HN 0.383 nan 8.150 nan 0.000 0.443 52 V N -0.046 119.843 119.914 -0.042 0.000 2.343 52 V HA -0.246 3.875 4.120 0.000 0.000 0.247 52 V C 3.057 179.127 176.094 -0.040 0.000 1.051 52 V CA 1.907 64.180 62.300 -0.044 0.000 1.036 52 V CB -1.294 30.513 31.823 -0.027 0.000 0.654 52 V HN 0.614 nan 8.190 nan 0.000 0.451 53 A N 0.079 122.880 122.820 -0.032 0.000 1.908 53 A HA -0.148 4.172 4.320 0.000 0.000 0.218 53 A C 2.413 179.978 177.584 -0.033 0.000 1.181 53 A CA 2.201 54.223 52.037 -0.026 0.000 0.627 53 A CB -0.765 18.222 19.000 -0.021 0.000 0.818 53 A HN 0.583 nan 8.150 nan 0.000 0.445 54 A N -0.371 122.418 122.820 -0.053 0.000 1.930 54 A HA 0.225 4.545 4.320 0.000 0.000 0.217 54 A C 2.455 180.004 177.584 -0.059 0.000 1.175 54 A CA 1.874 53.870 52.037 -0.068 0.000 0.627 54 A CB -0.856 18.078 19.000 -0.109 0.000 0.815 54 A HN 1.023 nan 8.150 nan 0.000 0.443 55 A N -0.336 122.447 122.820 -0.061 0.000 1.930 55 A HA -0.073 4.248 4.320 0.000 0.000 0.217 55 A C 2.155 179.747 177.584 0.013 0.000 1.175 55 A CA 1.851 53.860 52.037 -0.047 0.000 0.627 55 A CB -0.385 18.568 19.000 -0.079 0.000 0.815 55 A HN 0.451 nan 8.150 nan 0.000 0.443 56 R N 0.206 120.709 120.500 0.004 0.000 2.073 56 R HA -0.030 4.310 4.340 0.000 0.000 0.234 56 R C 2.179 178.523 176.300 0.073 0.000 1.134 56 R CA 1.921 58.046 56.100 0.042 0.000 0.952 56 R CB -0.747 29.560 30.300 0.011 0.000 0.850 56 R HN 0.385 nan 8.270 nan 0.000 0.433 57 A N 0.091 122.930 122.820 0.031 0.000 1.898 57 A HA -0.016 4.304 4.320 0.000 0.000 0.216 57 A C 2.351 179.952 177.584 0.028 0.000 1.181 57 A CA 1.697 53.746 52.037 0.020 0.000 0.620 57 A CB -1.025 17.971 19.000 -0.006 0.000 0.819 57 A HN 0.484 nan 8.150 nan 0.000 0.442 58 A N -1.423 121.415 122.820 0.030 0.000 1.902 58 A HA -0.020 4.300 4.320 0.000 0.000 0.217 58 A C 2.049 179.683 177.584 0.083 0.000 1.181 58 A CA 1.579 53.637 52.037 0.034 0.000 0.623 58 A CB -0.647 18.355 19.000 0.003 0.000 0.818 58 A HN 0.621 nan 8.150 nan 0.000 0.443 59 F N 0.899 120.848 119.950 -0.002 0.000 2.163 59 F HA -0.096 4.431 4.527 0.000 0.000 0.297 59 F C 1.618 177.424 175.800 0.010 0.000 1.094 59 F CA 1.910 59.921 58.000 0.018 0.000 1.290 59 F CB 0.019 39.022 39.000 0.004 0.000 1.017 59 F HN 0.217 nan 8.300 nan 0.000 0.483 60 D N -0.502 119.944 120.400 0.076 0.000 2.213 60 D HA -0.070 4.570 4.640 0.000 0.000 0.205 60 D C 1.382 177.643 176.300 -0.065 0.000 0.961 60 D CA 0.921 54.922 54.000 0.002 0.000 0.853 60 D CB -0.184 40.663 40.800 0.077 0.000 0.967 60 D HN 0.349 nan 8.370 nan 0.000 0.496 61 N N -0.390 118.283 118.700 -0.045 0.000 2.257 61 N HA 0.095 4.835 4.740 0.000 0.000 0.200 61 N C 1.041 176.522 175.510 -0.049 0.000 1.163 61 N CA 0.106 53.129 53.050 -0.045 0.000 0.891 61 N CB 1.039 39.513 38.487 -0.022 0.000 1.067 61 N HN 0.003 nan 8.380 nan 0.000 0.497 62 G N 1.623 110.396 108.800 -0.044 0.000 2.547 62 G HA2 0.307 4.267 3.960 0.000 0.000 0.291 62 G HA3 0.307 4.267 3.960 0.000 0.000 0.291 62 G C -1.467 173.418 174.900 -0.025 0.000 1.211 62 G CA -0.732 44.357 45.100 -0.018 0.000 0.950 62 G HN -0.061 nan 8.290 nan 0.000 0.504 63 P HA -0.030 nan 4.420 nan 0.000 0.245 63 P C 1.275 178.600 177.300 0.041 0.000 1.206 63 P CA 0.159 63.265 63.100 0.010 0.000 0.781 63 P CB 0.238 31.959 31.700 0.035 0.000 0.994 64 W N 2.240 123.480 121.300 -0.100 0.000 2.354 64 W HA -0.065 4.595 4.660 0.000 0.000 0.315 64 W C -1.330 175.121 176.519 -0.114 0.000 1.206 64 W CA 1.374 58.667 57.345 -0.087 0.000 1.290 64 W CB -1.630 27.796 29.460 -0.057 0.000 1.152 64 W HN 0.041 nan 8.180 nan 0.000 0.489 65 P HA -0.160 nan 4.420 nan 0.000 0.219 65 P C 1.649 178.755 177.300 -0.324 0.000 1.146 65 P CA 2.709 65.638 63.100 -0.285 0.000 0.808 65 P CB -0.327 31.086 31.700 -0.478 0.000 0.779 66 S N -3.580 111.953 115.700 -0.279 0.000 2.556 66 S HA 0.090 4.560 4.470 0.000 0.000 0.216 66 S C 0.748 175.184 174.600 -0.273 0.000 0.970 66 S CA -0.187 57.865 58.200 -0.246 0.000 0.912 66 S CB -1.210 61.883 63.200 -0.177 0.000 0.790 66 S HN -0.049 nan 8.310 nan 0.000 0.504 67 T N 5.418 119.758 114.554 -0.357 0.000 2.853 67 T HA 0.284 4.635 4.350 0.000 0.000 0.298 67 T C -2.616 171.806 174.700 -0.463 0.000 0.978 67 T CA -0.708 61.160 62.100 -0.386 0.000 1.152 67 T CB 0.583 69.152 68.868 -0.499 0.000 0.914 67 T HN 0.216 nan 8.240 nan 0.000 0.539 68 P HA 0.100 nan 4.420 nan 0.000 0.266 68 P C -1.828 175.186 177.300 -0.476 0.000 1.195 68 P CA -1.339 61.529 63.100 -0.387 0.000 0.768 68 P CB 0.112 31.667 31.700 -0.242 0.000 0.838 69 P HA -0.222 nan 4.420 nan 0.000 0.216 69 P C 1.085 178.213 177.300 -0.288 0.000 1.154 69 P CA 1.795 64.489 63.100 -0.677 0.000 0.865 69 P CB -0.327 30.693 31.700 -1.133 0.000 0.789 70 H N -0.907 118.048 119.070 -0.192 0.000 2.387 70 H HA -0.094 4.462 4.556 0.000 0.000 0.299 70 H C 1.990 177.274 175.328 -0.074 0.000 1.090 70 H CA 0.958 56.956 56.048 -0.084 0.000 1.332 70 H CB -0.083 29.642 29.762 -0.062 0.000 1.386 70 H HN 0.284 nan 8.280 nan 0.000 0.516 71 E N 0.381 120.580 120.200 -0.002 0.000 2.107 71 E HA -0.090 4.260 4.350 0.000 0.000 0.191 71 E C 2.245 178.830 176.600 -0.025 0.000 0.982 71 E CA 0.295 56.684 56.400 -0.019 0.000 0.809 71 E CB 0.158 29.819 29.700 -0.065 0.000 0.756 71 E HN 0.416 nan 8.360 nan 0.000 0.459 72 R N 0.547 120.943 120.500 -0.174 0.000 2.075 72 R HA -0.060 4.280 4.340 0.000 0.000 0.232 72 R C 2.370 178.756 176.300 0.143 0.000 1.126 72 R CA 1.094 57.102 56.100 -0.154 0.000 0.963 72 R CB -0.300 29.697 30.300 -0.507 0.000 0.858 72 R HN 0.078 nan 8.270 nan 0.000 0.435 73 A N 1.385 124.264 122.820 0.098 0.000 1.972 73 A HA -0.081 4.239 4.320 0.000 0.000 0.219 73 A C 2.346 180.024 177.584 0.157 0.000 1.169 73 A CA 1.590 53.723 52.037 0.160 0.000 0.635 73 A CB -0.460 18.634 19.000 0.156 0.000 0.810 73 A HN 0.391 nan 8.150 nan 0.000 0.446 74 A N -0.599 122.300 122.820 0.131 0.000 2.015 74 A HA 0.071 4.391 4.320 0.000 0.000 0.219 74 A C 2.145 179.817 177.584 0.147 0.000 1.163 74 A CA 1.549 53.654 52.037 0.114 0.000 0.646 74 A CB -0.677 18.373 19.000 0.084 0.000 0.806 74 A HN 0.353 nan 8.150 nan 0.000 0.448 75 V N 0.254 120.300 119.914 0.221 0.000 2.358 75 V HA -0.253 3.867 4.120 0.000 0.000 0.246 75 V C 2.372 178.622 176.094 0.260 0.000 1.047 75 V CA 1.946 64.405 62.300 0.264 0.000 1.035 75 V CB -0.678 31.382 31.823 0.395 0.000 0.658 75 V HN 0.588 nan 8.190 nan 0.000 0.452 76 I N 0.645 121.393 120.570 0.296 0.000 2.226 76 I HA -0.229 3.941 4.170 0.000 0.000 0.245 76 I C 2.661 178.853 176.117 0.125 0.000 1.100 76 I CA 1.472 62.935 61.300 0.273 0.000 1.374 76 I CB -0.606 37.569 38.000 0.292 0.000 1.057 76 I HN 0.281 nan 8.210 nan 0.000 0.413 77 A N 0.792 123.677 122.820 0.110 0.000 1.933 77 A HA -0.136 4.184 4.320 0.000 0.000 0.218 77 A C 2.550 180.151 177.584 0.028 0.000 1.175 77 A CA 1.800 53.873 52.037 0.059 0.000 0.628 77 A CB -0.760 18.274 19.000 0.057 0.000 0.814 77 A HN 0.428 nan 8.150 nan 0.000 0.444 78 A N -0.161 122.682 122.820 0.038 0.000 1.930 78 A HA 0.195 4.515 4.320 0.000 0.000 0.217 78 A C 2.484 180.041 177.584 -0.046 0.000 1.175 78 A CA 1.931 53.976 52.037 0.013 0.000 0.627 78 A CB -0.946 18.078 19.000 0.040 0.000 0.815 78 A HN 1.026 nan 8.150 nan 0.000 0.443 79 A N -0.503 122.250 122.820 -0.111 0.000 1.933 79 A HA 0.003 4.323 4.320 0.000 0.000 0.218 79 A C 2.217 179.667 177.584 -0.223 0.000 1.175 79 A CA 1.725 53.580 52.037 -0.304 0.000 0.628 79 A CB -0.924 17.636 19.000 -0.734 0.000 0.814 79 A HN 0.367 nan 8.150 nan 0.000 0.444 80 V N 0.198 120.032 119.914 -0.133 0.000 2.287 80 V HA -0.309 3.811 4.120 0.000 0.000 0.248 80 V C 2.553 178.612 176.094 -0.059 0.000 1.053 80 V CA 2.511 64.751 62.300 -0.099 0.000 1.027 80 V CB -0.651 31.145 31.823 -0.045 0.000 0.646 80 V HN 0.695 nan 8.190 nan 0.000 0.447 81 K N -0.548 119.834 120.400 -0.030 0.000 2.063 81 K HA -0.216 4.104 4.320 0.000 0.000 0.208 81 K C 2.226 178.830 176.600 0.006 0.000 1.048 81 K CA 2.071 58.358 56.287 -0.000 0.000 0.928 81 K CB -0.189 32.315 32.500 0.008 0.000 0.713 81 K HN 0.418 nan 8.250 nan 0.000 0.442 82 M N 0.539 120.128 119.600 -0.018 0.000 2.254 82 M HA -0.098 4.382 4.480 0.000 0.000 0.265 82 M C 1.713 178.027 176.300 0.023 0.000 1.066 82 M CA 1.079 56.382 55.300 0.005 0.000 1.123 82 M CB 0.101 32.696 32.600 -0.009 0.000 1.388 82 M HN 0.197 nan 8.290 nan 0.000 0.425 83 L N 0.058 121.253 121.223 -0.046 0.000 1.989 83 L HA -0.196 4.144 4.340 0.000 0.000 0.211 83 L C 2.717 179.693 176.870 0.176 0.000 1.071 83 L CA 1.494 56.295 54.840 -0.063 0.000 0.749 83 L CB -0.904 41.009 42.059 -0.244 0.000 0.890 83 L HN 0.390 nan 8.230 nan 0.000 0.431 84 A N -0.279 122.643 122.820 0.170 0.000 1.978 84 A HA -0.236 4.085 4.320 0.000 0.000 0.220 84 A C 2.068 179.744 177.584 0.153 0.000 1.170 84 A CA 1.780 53.968 52.037 0.252 0.000 0.636 84 A CB -0.458 18.640 19.000 0.163 0.000 0.810 84 A HN 0.517 nan 8.150 nan 0.000 0.448 85 E N -0.708 119.557 120.200 0.107 0.000 2.208 85 E HA -0.086 4.264 4.350 0.000 0.000 0.193 85 E C 1.360 178.015 176.600 0.092 0.000 0.988 85 E CA 0.677 57.125 56.400 0.080 0.000 0.828 85 E CB -0.041 29.698 29.700 0.064 0.000 0.763 85 E HN 0.530 nan 8.360 nan 0.000 0.478 86 R N 0.590 121.180 120.500 0.151 0.000 2.552 86 R HA 0.140 4.480 4.340 0.000 0.000 0.314 86 R C 1.553 177.987 176.300 0.224 0.000 1.041 86 R CA -0.124 56.107 56.100 0.218 0.000 1.076 86 R CB 0.236 30.763 30.300 0.379 0.000 1.290 86 R HN -0.018 nan 8.270 nan 0.000 0.563 87 K N 1.617 122.029 120.400 0.019 0.000 2.044 87 K HA -0.254 4.067 4.320 0.000 0.000 0.210 87 K C 1.378 177.800 176.600 -0.295 0.000 1.049 87 K CA 2.239 58.291 56.287 -0.393 0.000 0.927 87 K CB -0.012 32.165 32.500 -0.539 0.000 0.713 87 K HN 0.006 nan 8.250 nan 0.000 0.443 88 D N 0.288 120.601 120.400 -0.145 0.000 2.123 88 D HA -0.196 4.444 4.640 0.000 0.000 0.196 88 D C 1.916 178.179 176.300 -0.061 0.000 0.992 88 D CA 1.058 54.992 54.000 -0.110 0.000 0.833 88 D CB -0.072 40.687 40.800 -0.069 0.000 0.954 88 D HN 0.227 nan 8.370 nan 0.000 0.455 89 L N -0.651 120.567 121.223 -0.008 0.000 2.017 89 L HA -0.067 4.273 4.340 0.000 0.000 0.208 89 L C 2.004 178.835 176.870 -0.064 0.000 1.073 89 L CA 1.700 56.513 54.840 -0.045 0.000 0.745 89 L CB -0.910 41.118 42.059 -0.053 0.000 0.894 89 L HN 0.032 nan 8.230 nan 0.000 0.432 90 F N 0.095 120.027 119.950 -0.031 0.000 2.146 90 F HA -0.171 4.356 4.527 0.000 0.000 0.298 90 F C 2.665 178.472 175.800 0.011 0.000 1.096 90 F CA 1.914 59.949 58.000 0.058 0.000 1.275 90 F CB -1.206 37.949 39.000 0.257 0.000 1.008 90 F HN 0.287 nan 8.300 nan 0.000 0.480 91 T N -2.110 112.463 114.554 0.032 0.000 2.867 91 T HA -0.158 4.192 4.350 0.000 0.000 0.268 91 T C 1.910 176.602 174.700 -0.013 0.000 1.057 91 T CA 1.096 63.185 62.100 -0.019 0.000 1.136 91 T CB -0.380 68.390 68.868 -0.163 0.000 0.874 91 T HN 0.197 nan 8.240 nan 0.000 0.466 92 K N 0.779 121.157 120.400 -0.035 0.000 2.057 92 K HA 0.097 4.417 4.320 0.000 0.000 0.207 92 K C 2.334 178.913 176.600 -0.035 0.000 1.049 92 K CA 1.236 57.499 56.287 -0.040 0.000 0.931 92 K CB -0.417 32.051 32.500 -0.054 0.000 0.714 92 K HN 0.341 nan 8.250 nan 0.000 0.440 93 L N 0.839 122.040 121.223 -0.037 0.000 2.056 93 L HA -0.189 4.151 4.340 0.000 0.000 0.207 93 L C 2.337 179.211 176.870 0.007 0.000 1.078 93 L CA 0.990 55.808 54.840 -0.036 0.000 0.749 93 L CB -0.374 41.638 42.059 -0.079 0.000 0.901 93 L HN 0.183 nan 8.230 nan 0.000 0.433 94 L N -0.459 120.793 121.223 0.048 0.000 2.046 94 L HA -0.210 4.130 4.340 0.000 0.000 0.208 94 L C 2.851 179.694 176.870 -0.045 0.000 1.077 94 L CA 1.234 56.095 54.840 0.035 0.000 0.747 94 L CB -0.679 41.433 42.059 0.089 0.000 0.896 94 L HN 0.240 nan 8.230 nan 0.000 0.432 95 A N -0.164 122.635 122.820 -0.036 0.000 1.902 95 A HA -0.151 4.169 4.320 0.000 0.000 0.217 95 A C 2.512 180.075 177.584 -0.034 0.000 1.181 95 A CA 1.677 53.689 52.037 -0.043 0.000 0.623 95 A CB -0.679 18.305 19.000 -0.027 0.000 0.818 95 A HN 0.402 nan 8.150 nan 0.000 0.443 96 A N -0.384 122.417 122.820 -0.031 0.000 1.898 96 A HA -0.138 4.182 4.320 0.000 0.000 0.216 96 A C 1.955 179.523 177.584 -0.026 0.000 1.181 96 A CA 1.612 53.627 52.037 -0.036 0.000 0.620 96 A CB -0.431 18.538 19.000 -0.052 0.000 0.819 96 A HN 0.625 nan 8.150 nan 0.000 0.442 97 E N -1.035 119.160 120.200 -0.008 0.000 2.072 97 E HA -0.112 4.238 4.350 0.000 0.000 0.190 97 E C 2.162 178.783 176.600 0.035 0.000 0.982 97 E CA 1.647 58.060 56.400 0.023 0.000 0.803 97 E CB -0.089 29.647 29.700 0.061 0.000 0.755 97 E HN 0.815 nan 8.360 nan 0.000 0.453 98 T N -4.005 110.556 114.554 0.013 0.000 3.015 98 T HA 0.239 4.589 4.350 0.000 0.000 0.250 98 T C 1.618 176.314 174.700 -0.006 0.000 1.057 98 T CA 0.543 62.661 62.100 0.031 0.000 1.066 98 T CB 0.754 69.605 68.868 -0.030 0.000 0.959 98 T HN 0.260 nan 8.240 nan 0.000 0.488 99 G N 1.536 110.317 108.800 -0.032 0.000 2.189 99 G HA2 -0.245 3.715 3.960 0.000 0.000 0.267 99 G HA3 -0.245 3.715 3.960 0.000 0.000 0.267 99 G C 0.034 174.923 174.900 -0.018 0.000 0.975 99 G CA 0.181 45.257 45.100 -0.041 0.000 0.644 99 G HN 0.650 nan 8.290 nan 0.000 0.537 100 Q N 0.806 120.593 119.800 -0.023 0.000 2.373 100 Q HA 0.376 4.716 4.340 0.000 0.000 0.255 100 Q C -1.882 174.142 176.000 0.041 0.000 0.980 100 Q CA -1.422 54.393 55.803 0.021 0.000 0.882 100 Q CB 1.002 29.753 28.738 0.022 0.000 1.249 100 Q HN 0.365 nan 8.270 nan 0.000 0.438 101 P HA 0.143 nan 4.420 nan 0.000 0.276 101 P C -2.051 175.290 177.300 0.069 0.000 1.261 101 P CA -1.403 61.743 63.100 0.078 0.000 0.800 101 P CB 0.335 32.093 31.700 0.098 0.000 1.066 102 P HA -0.135 nan 4.420 nan 0.000 0.218 102 P C 1.472 178.811 177.300 0.064 0.000 1.149 102 P CA 2.001 65.126 63.100 0.042 0.000 0.817 102 P CB -0.772 30.939 31.700 0.020 0.000 0.785 103 T N -2.713 111.885 114.554 0.073 0.000 2.915 103 T HA -0.067 4.284 4.350 0.000 0.000 0.269 103 T C 1.860 176.642 174.700 0.136 0.000 1.071 103 T CA 0.731 62.883 62.100 0.087 0.000 1.132 103 T CB -0.838 68.071 68.868 0.068 0.000 0.878 103 T HN -0.123 nan 8.240 nan 0.000 0.479 104 I N 1.285 121.954 120.570 0.165 0.000 2.286 104 I HA 0.004 4.174 4.170 0.000 0.000 0.245 104 I C 2.464 178.747 176.117 0.277 0.000 1.104 104 I CA 0.417 61.851 61.300 0.225 0.000 1.397 104 I CB -1.031 37.102 38.000 0.221 0.000 1.072 104 I HN 0.224 nan 8.210 nan 0.000 0.417 105 I N 0.945 121.637 120.570 0.204 0.000 2.179 105 I HA -0.231 3.940 4.170 0.000 0.000 0.242 105 I C 2.544 178.822 176.117 0.269 0.000 1.088 105 I CA 1.363 62.788 61.300 0.208 0.000 1.357 105 I CB -1.186 36.857 38.000 0.072 0.000 1.051 105 I HN 0.275 nan 8.210 nan 0.000 0.409 106 E N 0.587 120.900 120.200 0.188 0.000 2.051 106 E HA -0.185 4.166 4.350 0.000 0.000 0.192 106 E C 2.191 178.935 176.600 0.240 0.000 0.991 106 E CA 2.270 58.789 56.400 0.198 0.000 0.799 106 E CB -0.345 29.423 29.700 0.114 0.000 0.748 106 E HN 0.637 nan 8.360 nan 0.000 0.449 107 T N -1.109 113.551 114.554 0.176 0.000 2.866 107 T HA 0.005 4.355 4.350 0.000 0.000 0.250 107 T C 2.071 176.801 174.700 0.050 0.000 1.033 107 T CA 0.948 63.116 62.100 0.114 0.000 1.145 107 T CB -0.185 68.744 68.868 0.102 0.000 0.866 107 T HN 0.044 nan 8.240 nan 0.000 0.434 108 M N 0.190 119.824 119.600 0.056 0.000 2.216 108 M HA 0.035 4.516 4.480 0.000 0.000 0.264 108 M C 2.416 178.603 176.300 -0.188 0.000 1.080 108 M CA 1.371 56.593 55.300 -0.130 0.000 1.153 108 M CB -0.077 32.423 32.600 -0.167 0.000 1.356 108 M HN 0.268 nan 8.290 nan 0.000 0.432 109 H N -1.571 117.540 119.070 0.068 0.000 2.448 109 H HA -0.114 4.443 4.556 0.000 0.000 0.292 109 H C 1.682 177.143 175.328 0.222 0.000 1.035 109 H CA 1.451 57.582 56.048 0.138 0.000 1.349 109 H CB 0.027 29.901 29.762 0.187 0.000 1.425 109 H HN 0.654 nan 8.280 nan 0.000 0.539 110 W N 1.233 122.623 121.300 0.150 0.000 2.783 110 W HA -0.029 4.631 4.660 0.000 0.000 0.287 110 W C 1.916 178.467 176.519 0.054 0.000 1.085 110 W CA 0.224 57.632 57.345 0.105 0.000 1.646 110 W CB 0.054 29.571 29.460 0.093 0.000 1.135 110 W HN -0.047 nan 8.180 nan 0.000 0.548 111 M N 1.153 120.788 119.600 0.058 0.000 2.149 111 M HA -0.110 4.370 4.480 0.000 0.000 0.261 111 M C 2.262 178.461 176.300 -0.168 0.000 1.064 111 M CA 2.095 57.342 55.300 -0.089 0.000 1.102 111 M CB -1.651 30.966 32.600 0.029 0.000 1.369 111 M HN 0.091 nan 8.290 nan 0.000 0.408 112 G N 0.071 108.769 108.800 -0.170 0.000 2.418 112 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 112 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 112 G C 1.662 176.608 174.900 0.077 0.000 1.158 112 G CA 1.171 46.145 45.100 -0.210 0.000 0.771 112 G HN 0.449 nan 8.290 nan 0.000 0.545 113 S N 0.402 116.146 115.700 0.074 0.000 2.356 113 S HA -0.063 4.407 4.470 0.000 0.000 0.223 113 S C 2.445 176.957 174.600 -0.146 0.000 1.032 113 S CA 1.239 59.492 58.200 0.089 0.000 1.005 113 S CB -0.197 62.977 63.200 -0.042 0.000 0.867 113 S HN 0.177 nan 8.310 nan 0.000 0.449 114 M N 1.129 120.490 119.600 -0.397 0.000 2.175 114 M HA 0.002 4.482 4.480 0.000 0.000 0.264 114 M C 2.473 178.679 176.300 -0.157 0.000 1.063 114 M CA 1.311 56.381 55.300 -0.384 0.000 1.119 114 M CB -2.037 30.226 32.600 -0.560 0.000 1.377 114 M HN 0.441 nan 8.290 nan 0.000 0.415 115 G N -0.027 108.709 108.800 -0.106 0.000 2.442 115 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 115 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 115 G C 1.661 176.568 174.900 0.013 0.000 1.141 115 G CA 1.258 46.334 45.100 -0.041 0.000 0.763 115 G HN 0.541 nan 8.290 nan 0.000 0.554 116 A N 0.354 123.209 122.820 0.059 0.000 1.872 116 A HA 0.142 4.462 4.320 0.000 0.000 0.214 116 A C 2.445 180.141 177.584 0.187 0.000 1.187 116 A CA 1.672 53.769 52.037 0.099 0.000 0.614 116 A CB -0.318 18.778 19.000 0.160 0.000 0.826 116 A HN 0.267 nan 8.150 nan 0.000 0.442 117 M N 0.336 120.018 119.600 0.137 0.000 2.080 117 M HA -0.145 4.335 4.480 0.000 0.000 0.260 117 M C 1.783 178.158 176.300 0.125 0.000 1.068 117 M CA 1.349 56.741 55.300 0.154 0.000 1.109 117 M CB -1.555 31.051 32.600 0.010 0.000 1.342 117 M HN 0.428 nan 8.290 nan 0.000 0.405 118 N N -0.383 118.345 118.700 0.046 0.000 2.120 118 N HA -0.196 4.544 4.740 0.000 0.000 0.188 118 N C 1.723 177.246 175.510 0.021 0.000 1.024 118 N CA 1.218 54.285 53.050 0.029 0.000 0.852 118 N CB -0.519 37.971 38.487 0.005 0.000 1.003 118 N HN 0.403 nan 8.380 nan 0.000 0.424 119 Y N 0.834 121.067 120.300 -0.112 0.000 2.097 119 Y HA -0.208 4.342 4.550 0.000 0.000 0.282 119 Y C 1.939 177.725 175.900 -0.191 0.000 1.152 119 Y CA 1.651 59.618 58.100 -0.222 0.000 1.136 119 Y CB -0.582 37.621 38.460 -0.428 0.000 0.975 119 Y HN -0.109 nan 8.280 nan 0.000 0.498 120 F N -0.020 119.987 119.950 0.095 0.000 2.234 120 F HA -0.046 4.481 4.527 0.000 0.000 0.299 120 F C 2.591 178.397 175.800 0.010 0.000 1.087 120 F CA 0.984 59.014 58.000 0.051 0.000 1.340 120 F CB -1.284 37.823 39.000 0.179 0.000 1.031 120 F HN 0.150 nan 8.300 nan 0.000 0.500 121 A N -0.018 122.907 122.820 0.175 0.000 2.024 121 A HA -0.064 4.257 4.320 0.000 0.000 0.220 121 A C 2.349 179.965 177.584 0.052 0.000 1.164 121 A CA 1.774 53.883 52.037 0.121 0.000 0.643 121 A CB -1.333 17.719 19.000 0.088 0.000 0.806 121 A HN 0.383 nan 8.150 nan 0.000 0.451 122 G N -2.161 106.609 108.800 -0.050 0.000 3.502 122 G HA2 0.411 4.371 3.960 0.000 0.000 0.267 122 G HA3 0.411 4.371 3.960 0.000 0.000 0.267 122 G C 0.797 175.618 174.900 -0.133 0.000 1.090 122 G CA 0.752 45.804 45.100 -0.081 0.000 0.795 122 G HN 0.681 nan 8.290 nan 0.000 0.535 123 A N 0.082 122.831 122.820 -0.120 0.000 2.348 123 A HA 0.677 4.998 4.320 0.000 0.000 0.224 123 A C 2.335 179.992 177.584 0.120 0.000 1.227 123 A CA 1.100 53.066 52.037 -0.118 0.000 0.885 123 A CB -0.008 18.882 19.000 -0.183 0.000 0.933 123 A HN 0.459 nan 8.150 nan 0.000 0.506 124 A N 0.707 123.651 122.820 0.208 0.000 1.917 124 A HA -0.209 4.111 4.320 0.000 0.000 0.219 124 A C 1.463 179.284 177.584 0.394 0.000 1.182 124 A CA 1.943 54.192 52.037 0.354 0.000 0.633 124 A CB -0.384 18.804 19.000 0.313 0.000 0.819 124 A HN 0.388 nan 8.150 nan 0.000 0.448 125 D N -0.853 119.704 120.400 0.262 0.000 2.349 125 D HA 0.046 4.686 4.640 0.000 0.000 0.224 125 D C 1.309 177.667 176.300 0.096 0.000 1.029 125 D CA 0.526 54.651 54.000 0.208 0.000 0.879 125 D CB 0.031 40.951 40.800 0.200 0.000 0.906 125 D HN 0.528 nan 8.370 nan 0.000 0.528 126 K N -0.032 120.404 120.400 0.061 0.000 2.393 126 K HA 0.124 4.444 4.320 0.000 0.000 0.193 126 K C 0.252 176.809 176.600 -0.073 0.000 1.026 126 K CA 0.126 56.419 56.287 0.010 0.000 1.064 126 K CB 1.344 33.860 32.500 0.028 0.000 0.833 126 K HN -0.079 nan 8.250 nan 0.000 0.521 127 V N 1.580 121.370 119.914 -0.208 0.000 2.513 127 V HA 0.119 4.239 4.120 0.000 0.000 0.299 127 V C -0.011 175.677 176.094 -0.678 0.000 1.035 127 V CA -0.735 61.239 62.300 -0.544 0.000 0.889 127 V CB 1.827 33.032 31.823 -1.028 0.000 0.988 127 V HN 0.029 nan 8.190 nan 0.000 0.440 128 T N 4.649 118.913 114.554 -0.484 0.000 2.992 128 T HA 0.109 4.459 4.350 0.000 0.000 0.299 128 T C 0.633 175.159 174.700 -0.289 0.000 1.027 128 T CA 0.055 61.983 62.100 -0.288 0.000 1.001 128 T CB -0.140 68.644 68.868 -0.139 0.000 1.005 128 T HN 0.728 nan 8.240 nan 0.000 0.599 129 W N 2.178 123.469 121.300 -0.015 0.000 2.436 129 W HA 0.087 4.748 4.660 0.000 0.000 0.284 129 W C 1.477 177.984 176.519 -0.020 0.000 1.225 129 W CA 0.061 57.392 57.345 -0.024 0.000 1.271 129 W CB 0.228 29.656 29.460 -0.054 0.000 1.114 129 W HN 0.396 nan 8.180 nan 0.000 0.559 130 T N -0.030 114.628 114.554 0.173 0.000 2.932 130 T HA 0.401 4.751 4.350 0.000 0.000 0.318 130 T C -1.264 173.472 174.700 0.060 0.000 1.265 130 T CA -0.766 61.395 62.100 0.100 0.000 1.036 130 T CB 1.596 70.522 68.868 0.096 0.000 1.209 130 T HN 0.162 nan 8.240 nan 0.000 0.484 131 E N 0.620 120.845 120.200 0.040 0.000 2.447 131 E HA 0.676 5.026 4.350 0.000 0.000 0.279 131 E C -1.376 175.241 176.600 0.029 0.000 1.053 131 E CA -1.139 55.279 56.400 0.029 0.000 0.840 131 E CB 1.375 31.083 29.700 0.014 0.000 1.409 131 E HN 0.615 nan 8.360 nan 0.000 0.461 132 T N -0.770 113.800 114.554 0.026 0.000 2.885 132 T HA 0.729 5.079 4.350 0.000 0.000 0.285 132 T C -0.426 174.288 174.700 0.023 0.000 1.019 132 T CA -1.004 61.113 62.100 0.029 0.000 1.010 132 T CB 1.389 70.276 68.868 0.032 0.000 1.022 132 T HN 0.512 nan 8.240 nan 0.000 0.466 133 R N 1.053 121.569 120.500 0.026 0.000 2.686 133 R HA 0.703 5.043 4.340 0.000 0.000 0.283 133 R C -0.648 175.671 176.300 0.032 0.000 0.978 133 R CA -0.947 55.168 56.100 0.024 0.000 0.897 133 R CB 2.295 32.606 30.300 0.020 0.000 1.192 133 R HN 0.934 nan 8.270 nan 0.000 0.457 134 T N -1.136 113.436 114.554 0.030 0.000 2.829 134 T HA 0.783 5.134 4.350 0.000 0.000 0.280 134 T C 0.168 174.892 174.700 0.041 0.000 0.999 134 T CA -0.743 61.379 62.100 0.037 0.000 0.983 134 T CB 2.175 71.059 68.868 0.027 0.000 0.968 134 T HN 0.707 nan 8.240 nan 0.000 0.446 135 G N -0.055 108.779 108.800 0.058 0.000 2.975 135 G HA2 0.489 4.449 3.960 0.000 0.000 0.291 135 G HA3 0.489 4.449 3.960 0.000 0.000 0.291 135 G C 0.656 175.593 174.900 0.062 0.000 1.334 135 G CA -0.063 45.078 45.100 0.068 0.000 0.843 135 G HN 0.681 nan 8.290 nan 0.000 0.548 136 S N -1.711 114.028 115.700 0.065 0.000 2.419 136 S HA -0.076 4.394 4.470 0.000 0.000 0.233 136 S C 1.553 176.071 174.600 -0.137 0.000 1.016 136 S CA 1.526 59.700 58.200 -0.042 0.000 0.974 136 S CB -0.385 62.770 63.200 -0.075 0.000 0.786 136 S HN 0.460 nan 8.310 nan 0.000 0.492 137 Y N 1.002 121.307 120.300 0.008 0.000 2.482 137 Y HA 0.378 4.928 4.550 0.000 0.000 0.270 137 Y C 1.579 177.490 175.900 0.018 0.000 1.152 137 Y CA 0.347 58.453 58.100 0.011 0.000 1.292 137 Y CB 0.450 38.916 38.460 0.009 0.000 1.070 137 Y HN 0.484 nan 8.280 nan 0.000 0.528 138 G N 0.150 109.024 108.800 0.123 0.000 2.337 138 G HA2 -0.183 3.777 3.960 0.000 0.000 0.197 138 G HA3 -0.183 3.777 3.960 0.000 0.000 0.197 138 G C -1.179 173.773 174.900 0.087 0.000 1.238 138 G CA -0.829 44.324 45.100 0.088 0.000 1.119 138 G HN 0.064 nan 8.290 nan 0.000 0.514 139 Q N -0.001 119.849 119.800 0.085 0.000 2.241 139 Q HA 0.669 5.010 4.340 0.000 0.000 0.254 139 Q C -0.602 175.444 176.000 0.076 0.000 0.917 139 Q CA -0.369 55.479 55.803 0.074 0.000 0.919 139 Q CB 1.094 29.875 28.738 0.071 0.000 1.237 139 Q HN 0.602 nan 8.270 nan 0.000 0.434 140 S N 3.467 119.202 115.700 0.058 0.000 2.513 140 S HA 0.544 5.015 4.470 0.000 0.000 0.299 140 S C -0.583 174.042 174.600 0.042 0.000 1.087 140 S CA -0.647 57.581 58.200 0.046 0.000 1.012 140 S CB 0.997 64.215 63.200 0.031 0.000 1.044 140 S HN 0.590 nan 8.310 nan 0.000 0.485 141 I N 2.615 123.208 120.570 0.039 0.000 2.304 141 I HA 0.325 4.495 4.170 0.000 0.000 0.291 141 I C -0.824 175.310 176.117 0.028 0.000 1.018 141 I CA -0.575 60.747 61.300 0.037 0.000 1.260 141 I CB 1.121 39.146 38.000 0.042 0.000 1.390 141 I HN 0.220 nan 8.210 nan 0.000 0.475 142 V N 6.062 125.992 119.914 0.026 0.000 2.347 142 V HA 0.423 4.544 4.120 0.000 0.000 0.280 142 V C 0.177 176.288 176.094 0.028 0.000 1.021 142 V CA -0.319 61.992 62.300 0.019 0.000 0.847 142 V CB 1.346 33.174 31.823 0.008 0.000 0.990 142 V HN 0.876 nan 8.190 nan 0.000 0.444 143 S N 5.262 120.984 115.700 0.035 0.000 2.638 143 S HA 0.779 5.250 4.470 0.000 0.000 0.302 143 S C -0.677 173.962 174.600 0.066 0.000 1.096 143 S CA -1.135 57.102 58.200 0.062 0.000 0.953 143 S CB 2.269 65.511 63.200 0.071 0.000 1.107 143 S HN 0.604 nan 8.310 nan 0.000 0.503 144 R N 0.780 121.349 120.500 0.116 0.000 2.393 144 R HA 0.479 4.819 4.340 0.000 0.000 0.315 144 R C -0.773 175.656 176.300 0.216 0.000 0.952 144 R CA -0.393 55.783 56.100 0.127 0.000 0.842 144 R CB 1.541 31.876 30.300 0.059 0.000 1.163 144 R HN 0.715 nan 8.270 nan 0.000 0.450 145 E N 3.435 123.733 120.200 0.163 0.000 2.221 145 E HA 0.345 4.696 4.350 0.000 0.000 0.268 145 E C -2.462 174.260 176.600 0.203 0.000 0.933 145 E CA -2.415 54.089 56.400 0.173 0.000 0.809 145 E CB 1.788 31.565 29.700 0.129 0.000 1.190 145 E HN 0.216 nan 8.360 nan 0.000 0.406 146 P HA -0.098 nan 4.420 nan 0.000 0.265 146 P C 0.683 178.084 177.300 0.169 0.000 1.193 146 P CA 0.159 63.416 63.100 0.261 0.000 0.765 146 P CB 0.660 32.608 31.700 0.414 0.000 0.823 147 V N 2.492 122.450 119.914 0.073 0.000 2.626 147 V HA 0.022 4.143 4.120 0.000 0.000 0.252 147 V C 1.103 177.038 176.094 -0.265 0.000 1.067 147 V CA 2.702 64.984 62.300 -0.029 0.000 1.081 147 V CB -1.105 30.728 31.823 0.016 0.000 0.686 147 V HN 0.975 nan 8.190 nan 0.000 0.468 148 G N -1.022 107.430 108.800 -0.581 0.000 2.253 148 G HA2 -0.102 3.859 3.960 0.000 0.000 0.190 148 G HA3 -0.102 3.859 3.960 0.000 0.000 0.190 148 G C -0.556 173.828 174.900 -0.860 0.000 1.274 148 G CA -0.215 44.051 45.100 -1.390 0.000 1.275 148 G HN 0.521 nan 8.290 nan 0.000 0.518 149 V N 1.293 120.855 119.914 -0.586 0.000 2.461 149 V HA 0.523 4.643 4.120 0.000 0.000 0.275 149 V C 0.550 176.461 176.094 -0.305 0.000 1.047 149 V CA -0.398 61.696 62.300 -0.343 0.000 0.955 149 V CB 1.087 32.762 31.823 -0.246 0.000 0.988 149 V HN 0.715 nan 8.190 nan 0.000 0.471 150 V N 4.219 123.976 119.914 -0.261 0.000 2.427 150 V HA 0.638 4.759 4.120 0.000 0.000 0.286 150 V C 0.753 176.711 176.094 -0.226 0.000 1.034 150 V CA -0.333 61.827 62.300 -0.234 0.000 0.893 150 V CB 1.729 33.411 31.823 -0.235 0.000 0.982 150 V HN 0.954 nan 8.190 nan 0.000 0.452 151 G N 3.398 112.029 108.800 -0.282 0.000 2.377 151 G HA2 0.641 4.601 3.960 0.000 0.000 0.316 151 G HA3 0.641 4.601 3.960 0.000 0.000 0.316 151 G C -0.312 174.632 174.900 0.074 0.000 1.115 151 G CA -0.164 44.858 45.100 -0.129 0.000 0.952 151 G HN 1.049 nan 8.290 nan 0.000 0.441 152 A N 3.115 125.978 122.820 0.072 0.000 2.318 152 A HA 0.814 5.135 4.320 0.000 0.000 0.317 152 A C -0.481 177.177 177.584 0.123 0.000 1.159 152 A CA -0.576 51.526 52.037 0.109 0.000 0.799 152 A CB 0.909 19.926 19.000 0.030 0.000 1.194 152 A HN 0.655 nan 8.150 nan 0.000 0.479 153 I N 3.004 123.673 120.570 0.165 0.000 2.498 153 I HA 0.538 4.709 4.170 0.000 0.000 0.290 153 I C -0.454 175.653 176.117 -0.017 0.000 1.032 153 I CA -0.931 60.459 61.300 0.150 0.000 1.073 153 I CB 2.171 40.373 38.000 0.337 0.000 1.251 153 I HN 0.560 nan 8.210 nan 0.000 0.426 154 V N 2.664 122.550 119.914 -0.046 0.000 2.914 154 V HA 0.926 5.046 4.120 0.000 0.000 0.314 154 V C 0.114 176.141 176.094 -0.112 0.000 1.084 154 V CA -0.702 61.515 62.300 -0.139 0.000 0.963 154 V CB 1.508 33.290 31.823 -0.069 0.000 1.025 154 V HN 0.781 nan 8.190 nan 0.000 0.432 155 A N 3.274 125.972 122.820 -0.203 0.000 2.251 155 A HA 0.533 4.854 4.320 0.000 0.000 0.278 155 A C 0.713 178.250 177.584 -0.078 0.000 1.206 155 A CA 0.127 52.037 52.037 -0.212 0.000 0.822 155 A CB 0.309 19.038 19.000 -0.450 0.000 1.187 155 A HN 1.469 nan 8.150 nan 0.000 0.504 156 W N -0.124 121.222 121.300 0.077 0.000 3.177 156 W HA 0.060 4.720 4.660 0.000 0.000 0.309 156 W C 0.930 177.548 176.519 0.164 0.000 1.224 156 W CA 0.491 57.903 57.345 0.111 0.000 1.718 156 W CB -0.666 28.855 29.460 0.102 0.000 1.078 156 W HN 0.839 nan 8.180 nan 0.000 0.618 157 N N 3.103 121.645 118.700 -0.263 0.000 2.300 157 N HA -0.111 4.630 4.740 0.000 0.000 0.179 157 N C 0.588 176.214 175.510 0.193 0.000 1.016 157 N CA 1.573 54.571 53.050 -0.086 0.000 0.876 157 N CB -0.670 37.557 38.487 -0.434 0.000 0.979 157 N HN 0.099 nan 8.380 nan 0.000 0.432 158 V N -2.327 117.673 119.914 0.143 0.000 2.467 158 V HA 0.412 4.532 4.120 0.000 0.000 0.260 158 V C -2.273 173.987 176.094 0.277 0.000 0.963 158 V CA -1.461 60.954 62.300 0.193 0.000 0.856 158 V CB 1.397 33.210 31.823 -0.015 0.000 1.087 158 V HN -0.155 nan 8.190 nan 0.000 0.467 159 P HA -0.088 nan 4.420 nan 0.000 0.216 159 P C 1.725 179.166 177.300 0.234 0.000 1.153 159 P CA 0.869 64.117 63.100 0.247 0.000 0.844 159 P CB 0.584 32.434 31.700 0.251 0.000 0.787 160 L N -1.291 120.112 121.223 0.299 0.000 2.072 160 L HA -0.020 4.321 4.340 0.000 0.000 0.205 160 L C 2.402 179.404 176.870 0.220 0.000 1.079 160 L CA 1.566 56.570 54.840 0.274 0.000 0.752 160 L CB -1.586 40.680 42.059 0.345 0.000 0.906 160 L HN -0.210 nan 8.230 nan 0.000 0.436 161 F N -0.274 119.726 119.950 0.085 0.000 2.134 161 F HA -0.207 4.321 4.527 0.000 0.000 0.299 161 F C 2.040 177.854 175.800 0.023 0.000 1.097 161 F CA 1.770 59.784 58.000 0.023 0.000 1.264 161 F CB -0.290 38.699 39.000 -0.019 0.000 1.001 161 F HN 0.043 nan 8.300 nan 0.000 0.479 162 L N -0.363 120.869 121.223 0.015 0.000 2.093 162 L HA -0.155 4.185 4.340 0.000 0.000 0.208 162 L C 2.793 179.603 176.870 -0.100 0.000 1.085 162 L CA 1.054 55.830 54.840 -0.106 0.000 0.755 162 L CB -1.322 40.726 42.059 -0.019 0.000 0.904 162 L HN 0.228 nan 8.230 nan 0.000 0.435 163 A N -0.096 122.715 122.820 -0.016 0.000 1.877 163 A HA -0.160 4.160 4.320 0.000 0.000 0.216 163 A C 2.358 179.925 177.584 -0.029 0.000 1.186 163 A CA 1.828 53.864 52.037 -0.001 0.000 0.620 163 A CB -0.871 18.168 19.000 0.064 0.000 0.822 163 A HN 0.176 nan 8.150 nan 0.000 0.443 164 V N 1.046 120.941 119.914 -0.031 0.000 2.343 164 V HA -0.237 3.883 4.120 0.000 0.000 0.247 164 V C 2.114 178.156 176.094 -0.086 0.000 1.051 164 V CA 2.073 64.360 62.300 -0.022 0.000 1.036 164 V CB -0.839 30.977 31.823 -0.013 0.000 0.654 164 V HN 0.567 nan 8.190 nan 0.000 0.451 165 N N -0.264 118.306 118.700 -0.216 0.000 2.512 165 N HA -0.078 4.663 4.740 0.000 0.000 0.183 165 N C 1.646 177.087 175.510 -0.115 0.000 1.073 165 N CA 0.687 53.619 53.050 -0.197 0.000 0.911 165 N CB 0.070 38.302 38.487 -0.425 0.000 0.964 165 N HN 0.459 nan 8.380 nan 0.000 0.447 166 K N 0.679 121.017 120.400 -0.103 0.000 2.121 166 K HA 0.190 4.510 4.320 0.000 0.000 0.203 166 K C 2.131 178.609 176.600 -0.204 0.000 1.041 166 K CA 0.166 56.415 56.287 -0.064 0.000 0.969 166 K CB -0.346 32.126 32.500 -0.046 0.000 0.799 166 K HN 0.112 nan 8.250 nan 0.000 0.456 167 I N 1.640 122.095 120.570 -0.192 0.000 2.163 167 I HA -0.246 3.924 4.170 0.000 0.000 0.240 167 I C 2.496 178.442 176.117 -0.285 0.000 1.081 167 I CA 1.298 62.440 61.300 -0.264 0.000 1.353 167 I CB -0.413 37.455 38.000 -0.221 0.000 1.054 167 I HN 0.045 nan 8.210 nan 0.000 0.407 168 A N 1.532 124.236 122.820 -0.192 0.000 1.883 168 A HA -0.127 4.193 4.320 0.000 0.000 0.217 168 A C 0.060 177.418 177.584 -0.376 0.000 1.186 168 A CA 1.956 53.897 52.037 -0.161 0.000 0.624 168 A CB -2.030 16.985 19.000 0.025 0.000 0.822 168 A HN 0.306 nan 8.150 nan 0.000 0.444 169 P HA -0.017 nan 4.420 nan 0.000 0.220 169 P C 1.523 178.723 177.300 -0.167 0.000 1.152 169 P CA 1.650 64.428 63.100 -0.535 0.000 0.812 169 P CB -0.093 31.309 31.700 -0.497 0.000 0.792 170 A N 0.452 122.990 122.820 -0.470 0.000 1.902 170 A HA -0.114 4.207 4.320 0.000 0.000 0.217 170 A C 2.417 179.876 177.584 -0.209 0.000 1.181 170 A CA 1.235 52.829 52.037 -0.739 0.000 0.623 170 A CB -1.563 16.795 19.000 -1.070 0.000 0.818 170 A HN 0.102 nan 8.150 nan 0.000 0.443 171 L N -1.177 119.972 121.223 -0.123 0.000 2.027 171 L HA -0.151 4.189 4.340 0.000 0.000 0.206 171 L C 2.541 179.607 176.870 0.326 0.000 1.074 171 L CA 1.170 56.112 54.840 0.169 0.000 0.745 171 L CB -0.544 41.527 42.059 0.020 0.000 0.898 171 L HN 0.451 nan 8.230 nan 0.000 0.433 172 L N 0.448 121.782 121.223 0.186 0.000 2.131 172 L HA -0.130 4.210 4.340 0.000 0.000 0.210 172 L C 2.469 179.483 176.870 0.240 0.000 1.092 172 L CA 1.876 56.842 54.840 0.210 0.000 0.759 172 L CB -0.660 41.554 42.059 0.258 0.000 0.903 172 L HN 0.145 nan 8.230 nan 0.000 0.435 173 A N -1.073 121.913 122.820 0.277 0.000 2.168 173 A HA 0.316 4.636 4.320 0.000 0.000 0.215 173 A C 1.791 179.500 177.584 0.207 0.000 1.152 173 A CA 0.826 53.086 52.037 0.372 0.000 0.716 173 A CB -0.865 18.349 19.000 0.355 0.000 0.794 173 A HN 0.895 nan 8.150 nan 0.000 0.465 174 G N -2.309 106.559 108.800 0.113 0.000 2.141 174 G HA2 -0.240 3.721 3.960 0.000 0.000 0.231 174 G HA3 -0.240 3.721 3.960 0.000 0.000 0.231 174 G C 0.239 175.344 174.900 0.342 0.000 0.984 174 G CA 0.001 45.106 45.100 0.009 0.000 0.660 174 G HN 0.586 nan 8.290 nan 0.000 0.525 175 C N 0.974 120.461 119.300 0.312 0.000 2.480 175 C HA 0.819 5.280 4.460 0.000 0.000 0.358 175 C C 1.326 176.448 174.990 0.220 0.000 1.309 175 C CA 0.472 59.618 59.018 0.212 0.000 2.465 175 C CB 0.912 28.613 27.740 -0.065 0.000 2.379 175 C HN 0.886 nan 8.230 nan 0.000 0.642 176 T N -0.187 114.416 114.554 0.082 0.000 2.945 176 T HA 0.749 5.099 4.350 0.000 0.000 0.286 176 T C -0.794 173.809 174.700 -0.161 0.000 1.025 176 T CA -0.527 61.546 62.100 -0.046 0.000 1.039 176 T CB 1.352 70.231 68.868 0.020 0.000 1.068 176 T HN 0.704 nan 8.240 nan 0.000 0.497 177 I N 1.167 121.621 120.570 -0.193 0.000 2.656 177 I HA 0.588 4.759 4.170 0.000 0.000 0.292 177 I C -1.736 174.290 176.117 -0.153 0.000 1.144 177 I CA -1.205 59.973 61.300 -0.204 0.000 1.038 177 I CB 2.053 39.893 38.000 -0.267 0.000 1.244 177 I HN 0.574 nan 8.210 nan 0.000 0.420 178 V N 7.518 127.359 119.914 -0.121 0.000 2.378 178 V HA 0.402 4.522 4.120 0.000 0.000 0.288 178 V C -0.458 175.611 176.094 -0.043 0.000 1.016 178 V CA -0.584 61.672 62.300 -0.073 0.000 0.840 178 V CB 1.433 33.222 31.823 -0.056 0.000 0.994 178 V HN 0.499 nan 8.190 nan 0.000 0.431 179 L N 5.347 126.552 121.223 -0.030 0.000 2.295 179 L HA 0.561 4.901 4.340 0.000 0.000 0.285 179 L C -0.104 176.781 176.870 0.024 0.000 1.035 179 L CA 0.060 54.896 54.840 -0.007 0.000 0.806 179 L CB 1.192 43.236 42.059 -0.025 0.000 1.214 179 L HN 0.554 nan 8.230 nan 0.000 0.426 180 K N 7.642 128.072 120.400 0.050 0.000 2.414 180 K HA 0.470 4.790 4.320 0.000 0.000 0.251 180 K C -2.647 173.994 176.600 0.069 0.000 1.037 180 K CA -1.857 54.470 56.287 0.067 0.000 0.980 180 K CB 1.193 33.749 32.500 0.093 0.000 1.280 180 K HN 0.442 nan 8.250 nan 0.000 0.451 181 P HA 0.093 nan 4.420 nan 0.000 0.276 181 P C -0.645 176.716 177.300 0.102 0.000 1.252 181 P CA -0.439 62.706 63.100 0.076 0.000 0.802 181 P CB 0.813 32.555 31.700 0.070 0.000 1.035 182 A N 1.219 124.120 122.820 0.136 0.000 2.462 182 A HA 0.361 4.682 4.320 0.000 0.000 0.243 182 A C 1.745 179.416 177.584 0.145 0.000 1.076 182 A CA 0.311 52.457 52.037 0.181 0.000 0.773 182 A CB -0.514 18.676 19.000 0.317 0.000 1.010 182 A HN 0.590 nan 8.150 nan 0.000 0.493 183 A N 1.688 124.579 122.820 0.119 0.000 1.978 183 A HA -0.154 4.166 4.320 0.000 0.000 0.220 183 A C 1.684 179.309 177.584 0.069 0.000 1.170 183 A CA 2.189 54.276 52.037 0.083 0.000 0.636 183 A CB -0.525 18.514 19.000 0.065 0.000 0.810 183 A HN 0.890 nan 8.150 nan 0.000 0.448 184 E N -0.513 119.726 120.200 0.065 0.000 2.204 184 E HA -0.050 4.301 4.350 0.000 0.000 0.194 184 E C 0.702 177.348 176.600 0.077 0.000 0.989 184 E CA 1.402 57.817 56.400 0.025 0.000 0.824 184 E CB -0.052 29.595 29.700 -0.088 0.000 0.756 184 E HN 0.711 nan 8.360 nan 0.000 0.477 185 T N -2.967 111.666 114.554 0.132 0.000 3.583 185 T HA 0.249 4.599 4.350 0.000 0.000 0.266 185 T C -2.469 172.301 174.700 0.117 0.000 1.296 185 T CA -1.295 60.890 62.100 0.140 0.000 1.668 185 T CB 1.240 70.240 68.868 0.220 0.000 0.832 185 T HN -0.112 nan 8.240 nan 0.000 0.649 186 P HA 0.290 nan 4.420 nan 0.000 0.252 186 P C 1.415 178.726 177.300 0.019 0.000 1.218 186 P CA -0.204 62.927 63.100 0.052 0.000 0.807 186 P CB 0.404 32.130 31.700 0.043 0.000 1.072 187 L N 0.353 121.597 121.223 0.036 0.000 2.072 187 L HA -0.078 4.263 4.340 0.000 0.000 0.205 187 L C 2.633 179.514 176.870 0.019 0.000 1.079 187 L CA 2.291 57.150 54.840 0.032 0.000 0.752 187 L CB -1.777 40.309 42.059 0.045 0.000 0.906 187 L HN 0.053 nan 8.230 nan 0.000 0.436 188 T N -2.174 112.415 114.554 0.059 0.000 2.867 188 T HA -0.068 4.282 4.350 0.000 0.000 0.268 188 T C 1.958 176.753 174.700 0.158 0.000 1.057 188 T CA 0.864 63.030 62.100 0.111 0.000 1.136 188 T CB -0.316 68.694 68.868 0.237 0.000 0.874 188 T HN 0.305 nan 8.240 nan 0.000 0.466 189 A N 2.550 125.431 122.820 0.102 0.000 1.898 189 A HA -0.099 4.221 4.320 0.000 0.000 0.216 189 A C 2.392 179.983 177.584 0.011 0.000 1.181 189 A CA 1.550 53.631 52.037 0.073 0.000 0.620 189 A CB -0.818 18.207 19.000 0.042 0.000 0.819 189 A HN 0.449 nan 8.150 nan 0.000 0.442 190 N N 0.469 119.140 118.700 -0.049 0.000 2.120 190 N HA -0.094 4.646 4.740 0.000 0.000 0.188 190 N C 1.843 177.377 175.510 0.040 0.000 1.024 190 N CA 1.623 54.619 53.050 -0.090 0.000 0.852 190 N CB -0.563 37.668 38.487 -0.427 0.000 1.003 190 N HN 0.450 nan 8.380 nan 0.000 0.424 191 A N 0.499 123.350 122.820 0.052 0.000 1.933 191 A HA -0.079 4.241 4.320 0.000 0.000 0.218 191 A C 2.172 179.921 177.584 0.274 0.000 1.175 191 A CA 0.933 52.994 52.037 0.040 0.000 0.628 191 A CB -0.617 18.123 19.000 -0.434 0.000 0.814 191 A HN 0.261 nan 8.150 nan 0.000 0.444 192 L N -0.338 121.090 121.223 0.342 0.000 2.056 192 L HA 0.021 4.362 4.340 0.000 0.000 0.207 192 L C 2.626 179.613 176.870 0.193 0.000 1.078 192 L CA 2.060 57.107 54.840 0.345 0.000 0.749 192 L CB -0.821 41.418 42.059 0.299 0.000 0.901 192 L HN 0.319 nan 8.230 nan 0.000 0.433 193 A N -0.679 122.147 122.820 0.010 0.000 1.902 193 A HA -0.226 4.095 4.320 0.000 0.000 0.217 193 A C 2.135 179.569 177.584 -0.249 0.000 1.181 193 A CA 1.790 53.649 52.037 -0.296 0.000 0.623 193 A CB -0.632 17.766 19.000 -1.004 0.000 0.818 193 A HN 0.614 nan 8.150 nan 0.000 0.443 194 E N -0.372 119.789 120.200 -0.066 0.000 2.085 194 E HA -0.147 4.204 4.350 0.000 0.000 0.194 194 E C 1.976 178.661 176.600 0.143 0.000 0.994 194 E CA 1.328 57.815 56.400 0.145 0.000 0.801 194 E CB -0.342 29.506 29.700 0.247 0.000 0.743 194 E HN 0.403 nan 8.360 nan 0.000 0.453 195 V N 0.775 120.760 119.914 0.117 0.000 2.287 195 V HA -0.257 3.863 4.120 0.000 0.000 0.248 195 V C 1.969 178.038 176.094 -0.043 0.000 1.053 195 V CA 1.746 64.060 62.300 0.023 0.000 1.027 195 V CB -0.511 31.277 31.823 -0.059 0.000 0.646 195 V HN 0.180 nan 8.190 nan 0.000 0.447 196 F N 0.618 120.584 119.950 0.027 0.000 2.134 196 F HA -0.119 4.408 4.527 0.000 0.000 0.299 196 F C 2.416 178.239 175.800 0.039 0.000 1.097 196 F CA 1.361 59.365 58.000 0.006 0.000 1.264 196 F CB -1.053 37.920 39.000 -0.044 0.000 1.001 196 F HN 0.086 nan 8.300 nan 0.000 0.479 197 A N -0.058 122.925 122.820 0.272 0.000 1.883 197 A HA -0.233 4.087 4.320 0.000 0.000 0.217 197 A C 2.142 179.834 177.584 0.180 0.000 1.186 197 A CA 1.999 54.189 52.037 0.255 0.000 0.624 197 A CB -0.838 18.379 19.000 0.362 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 E N -0.365 119.929 120.200 0.157 0.000 2.150 198 E HA -0.111 4.239 4.350 0.000 0.000 0.193 198 E C 1.761 178.414 176.600 0.088 0.000 0.985 198 E CA 1.428 57.898 56.400 0.117 0.000 0.814 198 E CB -0.275 29.489 29.700 0.106 0.000 0.752 198 E HN 0.661 nan 8.360 nan 0.000 0.466 199 V N -2.723 117.238 119.914 0.078 0.000 3.646 199 V HA 0.350 4.470 4.120 0.000 0.000 0.277 199 V C 1.107 177.260 176.094 0.098 0.000 1.274 199 V CA 0.617 62.959 62.300 0.069 0.000 1.164 199 V CB -0.186 31.656 31.823 0.031 0.000 0.926 199 V HN 0.276 nan 8.190 nan 0.000 0.442 200 G N 0.125 108.990 108.800 0.107 0.000 2.134 200 G HA2 -0.200 3.760 3.960 0.000 0.000 0.209 200 G HA3 -0.200 3.760 3.960 0.000 0.000 0.209 200 G C -0.276 174.676 174.900 0.087 0.000 0.993 200 G CA 0.012 45.170 45.100 0.097 0.000 0.669 200 G HN 0.736 nan 8.290 nan 0.000 0.519 201 L N 2.002 123.272 121.223 0.078 0.000 2.559 201 L HA 0.489 4.829 4.340 0.000 0.000 0.274 201 L C -1.402 175.409 176.870 -0.099 0.000 1.205 201 L CA -1.027 53.770 54.840 -0.070 0.000 0.907 201 L CB 0.073 42.069 42.059 -0.105 0.000 1.153 201 L HN 0.019 nan 8.230 nan 0.000 0.490 202 P HA 0.022 nan 4.420 nan 0.000 0.266 202 P C -0.902 176.323 177.300 -0.125 0.000 1.195 202 P CA -0.126 62.932 63.100 -0.071 0.000 0.768 202 P CB 0.362 32.066 31.700 0.006 0.000 0.838 203 E N 1.264 121.412 120.200 -0.087 0.000 2.465 203 E HA 0.200 4.550 4.350 0.000 0.000 0.260 203 E C 1.210 177.722 176.600 -0.147 0.000 0.980 203 E CA 1.193 57.516 56.400 -0.129 0.000 0.927 203 E CB -0.244 29.393 29.700 -0.105 0.000 0.934 203 E HN 0.749 nan 8.360 nan 0.000 0.459 204 G N 2.071 110.750 108.800 -0.202 0.000 2.254 204 G HA2 -0.291 3.669 3.960 0.000 0.000 0.225 204 G HA3 -0.291 3.669 3.960 0.000 0.000 0.225 204 G C 0.938 175.732 174.900 -0.176 0.000 1.003 204 G CA 0.107 45.102 45.100 -0.175 0.000 0.622 204 G HN 0.469 nan 8.290 nan 0.000 0.507 205 V N 0.199 119.976 119.914 -0.229 0.000 2.626 205 V HA 0.291 4.411 4.120 0.000 0.000 0.252 205 V C 1.050 176.969 176.094 -0.291 0.000 1.067 205 V CA 2.001 64.112 62.300 -0.315 0.000 1.081 205 V CB 0.007 31.452 31.823 -0.630 0.000 0.686 205 V HN 0.593 nan 8.190 nan 0.000 0.468 206 L N -0.645 120.442 121.223 -0.227 0.000 2.410 206 L HA 0.674 5.014 4.340 0.000 0.000 0.270 206 L C -0.617 176.238 176.870 -0.026 0.000 0.983 206 L CA 0.210 54.971 54.840 -0.132 0.000 0.822 206 L CB 2.191 44.176 42.059 -0.123 0.000 1.285 206 L HN -0.045 nan 8.230 nan 0.000 0.409 207 S N 2.949 118.637 115.700 -0.020 0.000 2.568 207 S HA 0.876 5.346 4.470 0.000 0.000 0.293 207 S C -1.307 173.335 174.600 0.070 0.000 1.089 207 S CA -0.615 57.593 58.200 0.014 0.000 0.945 207 S CB 2.217 65.368 63.200 -0.082 0.000 1.077 207 S HN 0.423 nan 8.310 nan 0.000 0.485 208 V N 2.561 122.539 119.914 0.107 0.000 2.482 208 V HA 0.495 4.616 4.120 0.000 0.000 0.295 208 V C -0.722 175.393 176.094 0.035 0.000 1.026 208 V CA -0.745 61.580 62.300 0.042 0.000 0.856 208 V CB 1.576 33.394 31.823 -0.008 0.000 1.001 208 V HN 0.772 nan 8.190 nan 0.000 0.424 209 V N 3.763 123.696 119.914 0.032 0.000 2.320 209 V HA 0.562 4.682 4.120 0.000 0.000 0.268 209 V C -2.424 173.700 176.094 0.050 0.000 1.021 209 V CA -2.090 60.234 62.300 0.041 0.000 0.813 209 V CB 0.981 32.825 31.823 0.035 0.000 1.054 209 V HN 0.645 nan 8.190 nan 0.000 0.444 210 P HA 0.601 nan 4.420 nan 0.000 0.271 210 P C 0.382 177.721 177.300 0.065 0.000 1.218 210 P CA 0.814 63.949 63.100 0.058 0.000 0.780 210 P CB 1.840 33.570 31.700 0.050 0.000 0.901 211 G N 0.311 109.154 108.800 0.071 0.000 2.321 211 G HA2 0.494 4.454 3.960 0.000 0.000 0.296 211 G HA3 0.494 4.454 3.960 0.000 0.000 0.296 211 G C -0.746 174.200 174.900 0.077 0.000 1.287 211 G CA -0.115 45.027 45.100 0.069 0.000 0.846 211 G HN 0.650 nan 8.290 nan 0.000 0.508 212 G N -1.262 107.580 108.800 0.070 0.000 3.134 212 G HA2 0.515 4.475 3.960 0.000 0.000 0.158 212 G HA3 0.515 4.475 3.960 0.000 0.000 0.158 212 G C 1.252 176.198 174.900 0.076 0.000 1.334 212 G CA -0.017 45.128 45.100 0.075 0.000 1.001 212 G HN 0.655 nan 8.290 nan 0.000 0.600 213 I N 0.634 121.244 120.570 0.067 0.000 2.179 213 I HA -0.158 4.012 4.170 0.000 0.000 0.242 213 I C 2.740 178.885 176.117 0.046 0.000 1.088 213 I CA 1.587 62.923 61.300 0.059 0.000 1.357 213 I CB -0.328 37.699 38.000 0.045 0.000 1.051 213 I HN 0.525 nan 8.210 nan 0.000 0.409 214 E N 0.378 120.602 120.200 0.040 0.000 2.110 214 E HA -0.173 4.178 4.350 0.000 0.000 0.193 214 E C 2.086 178.710 176.600 0.040 0.000 0.988 214 E CA 1.815 58.235 56.400 0.033 0.000 0.804 214 E CB -0.352 29.366 29.700 0.030 0.000 0.745 214 E HN 0.462 nan 8.360 nan 0.000 0.458 215 T N 0.551 115.135 114.554 0.050 0.000 2.708 215 T HA -0.125 4.226 4.350 0.000 0.000 0.266 215 T C 2.026 176.765 174.700 0.066 0.000 1.037 215 T CA 1.262 63.396 62.100 0.057 0.000 1.146 215 T CB -0.651 68.254 68.868 0.063 0.000 0.865 215 T HN 0.419 nan 8.240 nan 0.000 0.435 216 G N 0.939 109.784 108.800 0.075 0.000 2.418 216 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 216 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 216 G C 1.505 176.438 174.900 0.054 0.000 1.158 216 G CA 0.560 45.712 45.100 0.087 0.000 0.771 216 G HN 0.479 nan 8.290 nan 0.000 0.545 217 Q N 0.003 119.821 119.800 0.030 0.000 2.224 217 Q HA 0.088 4.428 4.340 0.000 0.000 0.203 217 Q C 2.955 178.964 176.000 0.016 0.000 0.970 217 Q CA 0.886 56.691 55.803 0.003 0.000 0.865 217 Q CB -0.168 28.568 28.738 -0.004 0.000 0.922 217 Q HN 0.500 nan 8.270 nan 0.000 0.445 218 A N 0.799 123.640 122.820 0.036 0.000 1.898 218 A HA -0.146 4.174 4.320 0.000 0.000 0.216 218 A C 1.993 179.619 177.584 0.070 0.000 1.181 218 A CA 0.813 52.876 52.037 0.044 0.000 0.620 218 A CB -0.573 18.452 19.000 0.042 0.000 0.819 218 A HN 0.318 nan 8.150 nan 0.000 0.442 219 L N 0.066 121.346 121.223 0.095 0.000 2.017 219 L HA -0.164 4.177 4.340 0.000 0.000 0.208 219 L C 2.783 179.806 176.870 0.254 0.000 1.073 219 L CA 2.130 57.073 54.840 0.172 0.000 0.745 219 L CB -0.638 41.541 42.059 0.201 0.000 0.894 219 L HN 0.664 nan 8.230 nan 0.000 0.432 220 T N -4.613 109.993 114.554 0.087 0.000 3.148 220 T HA -0.015 4.335 4.350 0.000 0.000 0.253 220 T C 1.291 175.941 174.700 -0.083 0.000 1.134 220 T CA 0.630 62.636 62.100 -0.158 0.000 1.051 220 T CB -0.183 68.487 68.868 -0.329 0.000 0.959 220 T HN 0.403 nan 8.240 nan 0.000 0.525 221 S N -0.005 115.710 115.700 0.024 0.000 2.593 221 S HA 0.256 4.726 4.470 0.000 0.000 0.236 221 S C 0.315 174.957 174.600 0.070 0.000 0.991 221 S CA -0.813 57.402 58.200 0.026 0.000 0.963 221 S CB -0.258 62.946 63.200 0.006 0.000 0.865 221 S HN 0.357 nan 8.310 nan 0.000 0.488 222 N N 3.351 122.129 118.700 0.131 0.000 2.439 222 N HA 0.317 5.057 4.740 0.000 0.000 0.249 222 N C -2.004 173.582 175.510 0.127 0.000 1.003 222 N CA -1.891 51.225 53.050 0.110 0.000 0.942 222 N CB 1.782 40.325 38.487 0.092 0.000 1.115 222 N HN 0.080 nan 8.380 nan 0.000 0.505 223 P HA 0.047 nan 4.420 nan 0.000 0.237 223 P C -0.081 177.236 177.300 0.029 0.000 1.178 223 P CA 0.535 63.675 63.100 0.066 0.000 0.766 223 P CB 0.607 32.332 31.700 0.043 0.000 0.876 224 D N -0.150 120.256 120.400 0.010 0.000 2.349 224 D HA 0.114 4.754 4.640 0.000 0.000 0.224 224 D C 0.886 177.139 176.300 -0.079 0.000 1.029 224 D CA 0.189 54.174 54.000 -0.024 0.000 0.879 224 D CB 0.021 40.811 40.800 -0.016 0.000 0.906 224 D HN 0.290 nan 8.370 nan 0.000 0.528 225 I N 1.208 121.712 120.570 -0.109 0.000 2.428 225 I HA 0.009 4.180 4.170 0.000 0.000 0.289 225 I C 1.156 177.103 176.117 -0.284 0.000 1.019 225 I CA -0.194 60.937 61.300 -0.282 0.000 1.351 225 I CB 1.337 39.018 38.000 -0.533 0.000 1.412 225 I HN -0.266 nan 8.210 nan 0.000 0.513 226 D N 5.564 125.786 120.400 -0.297 0.000 2.327 226 D HA 0.119 4.760 4.640 0.000 0.000 0.205 226 D C 0.253 176.442 176.300 -0.186 0.000 0.989 226 D CA 0.958 54.833 54.000 -0.208 0.000 0.873 226 D CB 0.839 41.505 40.800 -0.222 0.000 0.955 226 D HN 0.419 nan 8.370 nan 0.000 0.515 227 M N -0.116 119.304 119.600 -0.299 0.000 2.471 227 M HA 0.350 4.830 4.480 0.000 0.000 0.284 227 M C -1.974 174.139 176.300 -0.312 0.000 1.203 227 M CA -0.488 54.715 55.300 -0.160 0.000 0.915 227 M CB 2.065 34.666 32.600 0.001 0.000 1.734 227 M HN -0.340 nan 8.290 nan 0.000 0.485 228 F N 0.742 120.737 119.950 0.075 0.000 2.507 228 F HA 0.785 5.312 4.527 0.000 0.000 0.327 228 F C 0.184 176.066 175.800 0.137 0.000 1.068 228 F CA -0.485 57.571 58.000 0.094 0.000 0.965 228 F CB 2.376 41.414 39.000 0.062 0.000 1.192 228 F HN 0.486 nan 8.300 nan 0.000 0.476 229 T N 2.833 117.600 114.554 0.355 0.000 2.971 229 T HA 0.584 4.935 4.350 0.000 0.000 0.304 229 T C -1.985 172.903 174.700 0.313 0.000 1.038 229 T CA -0.436 61.838 62.100 0.291 0.000 1.007 229 T CB 0.596 69.642 68.868 0.297 0.000 1.055 229 T HN 0.455 nan 8.240 nan 0.000 0.451 230 F N 3.179 123.188 119.950 0.097 0.000 2.561 230 F HA 0.686 5.213 4.527 0.000 0.000 0.313 230 F C -0.897 174.927 175.800 0.039 0.000 1.126 230 F CA -0.320 57.720 58.000 0.068 0.000 0.918 230 F CB 2.265 41.295 39.000 0.050 0.000 1.199 230 F HN 0.480 nan 8.300 nan 0.000 0.444 231 T N 4.606 118.688 114.554 -0.787 0.000 2.809 231 T HA 0.803 5.154 4.350 0.000 0.000 0.284 231 T C -0.179 173.885 174.700 -1.060 0.000 0.992 231 T CA -0.239 61.472 62.100 -0.648 0.000 0.957 231 T CB 1.146 69.835 68.868 -0.297 0.000 0.942 231 T HN 1.131 nan 8.240 nan 0.000 0.439 232 G N 1.784 110.122 108.800 -0.770 0.000 2.360 232 G HA2 0.454 4.414 3.960 0.000 0.000 0.276 232 G HA3 0.454 4.414 3.960 0.000 0.000 0.276 232 G C -0.626 174.246 174.900 -0.047 0.000 1.256 232 G CA -0.370 44.446 45.100 -0.472 0.000 0.890 232 G HN 0.892 nan 8.290 nan 0.000 0.486 233 S N 0.032 115.785 115.700 0.089 0.000 2.572 233 S HA 0.416 4.886 4.470 0.000 0.000 0.279 233 S C 1.440 176.158 174.600 0.196 0.000 1.341 233 S CA 0.802 59.048 58.200 0.076 0.000 1.043 233 S CB 1.497 64.731 63.200 0.056 0.000 0.887 233 S HN 1.012 nan 8.310 nan 0.000 0.516 234 S N 2.295 118.089 115.700 0.156 0.000 2.383 234 S HA -0.127 4.344 4.470 0.000 0.000 0.229 234 S C 2.230 176.878 174.600 0.080 0.000 1.030 234 S CA 1.227 59.519 58.200 0.154 0.000 1.002 234 S CB -0.963 62.359 63.200 0.202 0.000 0.829 234 S HN 0.936 nan 8.310 nan 0.000 0.467 235 A N 0.935 123.799 122.820 0.074 0.000 1.902 235 A HA -0.038 4.282 4.320 0.000 0.000 0.217 235 A C 2.324 179.897 177.584 -0.018 0.000 1.181 235 A CA 1.520 53.574 52.037 0.029 0.000 0.623 235 A CB -0.764 18.262 19.000 0.043 0.000 0.818 235 A HN 0.364 nan 8.150 nan 0.000 0.443 236 V N -0.143 119.771 119.914 -0.001 0.000 2.548 236 V HA -0.096 4.024 4.120 0.000 0.000 0.249 236 V C 2.794 178.644 176.094 -0.407 0.000 1.055 236 V CA 1.520 63.750 62.300 -0.115 0.000 1.065 236 V CB -1.348 30.501 31.823 0.043 0.000 0.681 236 V HN 0.612 nan 8.190 nan 0.000 0.462 237 G N 0.327 108.919 108.800 -0.347 0.000 2.503 237 G HA2 -0.296 3.664 3.960 0.000 0.000 0.221 237 G HA3 -0.296 3.664 3.960 0.000 0.000 0.221 237 G C 1.732 176.469 174.900 -0.271 0.000 1.131 237 G CA 0.970 45.826 45.100 -0.407 0.000 0.756 237 G HN 0.450 nan 8.290 nan 0.000 0.572 238 R N 0.040 120.444 120.500 -0.161 0.000 2.081 238 R HA -0.047 4.293 4.340 0.000 0.000 0.235 238 R C 2.492 178.695 176.300 -0.162 0.000 1.131 238 R CA 1.464 57.488 56.100 -0.126 0.000 0.960 238 R CB -0.340 29.912 30.300 -0.081 0.000 0.856 238 R HN 0.564 nan 8.270 nan 0.000 0.436 239 E N 0.575 120.660 120.200 -0.192 0.000 2.046 239 E HA -0.138 4.212 4.350 0.000 0.000 0.190 239 E C 1.958 178.405 176.600 -0.254 0.000 0.982 239 E CA 1.099 57.385 56.400 -0.190 0.000 0.800 239 E CB 0.181 29.783 29.700 -0.163 0.000 0.756 239 E HN 0.074 nan 8.360 nan 0.000 0.449 240 V N 0.893 120.583 119.914 -0.373 0.000 2.287 240 V HA -0.231 3.890 4.120 0.000 0.000 0.248 240 V C 2.435 178.322 176.094 -0.345 0.000 1.053 240 V CA 2.026 64.071 62.300 -0.425 0.000 1.027 240 V CB -1.006 30.442 31.823 -0.625 0.000 0.646 240 V HN 0.535 nan 8.190 nan 0.000 0.447 241 G N -0.546 108.094 108.800 -0.266 0.000 2.418 241 G HA2 -0.300 3.661 3.960 0.000 0.000 0.217 241 G HA3 -0.300 3.661 3.960 0.000 0.000 0.217 241 G C 1.708 176.521 174.900 -0.146 0.000 1.158 241 G CA 0.935 45.936 45.100 -0.165 0.000 0.771 241 G HN 0.454 nan 8.290 nan 0.000 0.545 242 R N 0.302 120.713 120.500 -0.148 0.000 2.081 242 R HA -0.011 4.329 4.340 0.000 0.000 0.235 242 R C 2.725 178.948 176.300 -0.128 0.000 1.131 242 R CA 1.203 57.233 56.100 -0.116 0.000 0.960 242 R CB -0.231 30.006 30.300 -0.106 0.000 0.856 242 R HN 0.284 nan 8.270 nan 0.000 0.436 243 R N -0.164 120.228 120.500 -0.181 0.000 2.075 243 R HA -0.053 4.287 4.340 0.000 0.000 0.232 243 R C 2.386 178.557 176.300 -0.214 0.000 1.126 243 R CA 1.309 57.289 56.100 -0.199 0.000 0.963 243 R CB -0.353 29.791 30.300 -0.259 0.000 0.858 243 R HN 0.264 nan 8.270 nan 0.000 0.435 244 A N 1.390 124.034 122.820 -0.294 0.000 1.902 244 A HA -0.132 4.188 4.320 0.000 0.000 0.217 244 A C 2.380 179.949 177.584 -0.024 0.000 1.181 244 A CA 1.768 53.703 52.037 -0.171 0.000 0.623 244 A CB -0.638 18.299 19.000 -0.104 0.000 0.818 244 A HN 0.403 nan 8.150 nan 0.000 0.443 245 A N -0.311 122.480 122.820 -0.048 0.000 1.930 245 A HA -0.119 4.201 4.320 0.000 0.000 0.217 245 A C 1.947 179.520 177.584 -0.019 0.000 1.175 245 A CA 2.069 54.093 52.037 -0.022 0.000 0.627 245 A CB -0.447 18.532 19.000 -0.034 0.000 0.815 245 A HN 0.553 nan 8.150 nan 0.000 0.443 246 E N -0.021 120.158 120.200 -0.035 0.000 2.204 246 E HA -0.095 4.255 4.350 0.000 0.000 0.195 246 E C 1.637 178.233 176.600 -0.007 0.000 0.990 246 E CA 1.344 57.728 56.400 -0.026 0.000 0.821 246 E CB -0.342 29.335 29.700 -0.039 0.000 0.750 246 E HN 0.621 nan 8.360 nan 0.000 0.477 247 M N 0.009 119.613 119.600 0.006 0.000 2.494 247 M HA 0.190 4.670 4.480 0.000 0.000 0.232 247 M C 0.033 176.361 176.300 0.047 0.000 1.137 247 M CA 0.013 55.335 55.300 0.037 0.000 1.012 247 M CB 0.253 32.898 32.600 0.076 0.000 1.567 247 M HN 0.041 nan 8.290 nan 0.000 0.486 248 L N 1.023 122.265 121.223 0.033 0.000 3.678 248 L HA -0.266 4.074 4.340 0.000 0.000 0.425 248 L C -0.608 176.292 176.870 0.050 0.000 1.240 248 L CA 0.662 55.521 54.840 0.031 0.000 0.876 248 L CB -1.671 40.398 42.059 0.018 0.000 1.766 248 L HN 0.262 nan 8.230 nan 0.000 0.917 249 K N 0.075 120.529 120.400 0.090 0.000 2.259 249 K HA 0.660 4.981 4.320 0.000 0.000 0.252 249 K C -2.196 174.480 176.600 0.127 0.000 0.936 249 K CA -2.077 54.285 56.287 0.124 0.000 0.810 249 K CB 1.191 33.843 32.500 0.254 0.000 1.143 249 K HN -0.224 nan 8.250 nan 0.000 0.427 250 P HA 0.141 nan 4.420 nan 0.000 0.269 250 P C -0.476 176.910 177.300 0.143 0.000 1.215 250 P CA -0.516 62.631 63.100 0.079 0.000 0.780 250 P CB 0.594 32.317 31.700 0.038 0.000 0.898 251 C N 1.964 121.334 119.300 0.117 0.000 2.752 251 C HA 0.569 5.029 4.460 0.000 0.000 0.360 251 C C -0.525 174.528 174.990 0.105 0.000 1.081 251 C CA -0.058 59.053 59.018 0.155 0.000 1.272 251 C CB 0.377 28.195 27.740 0.129 0.000 1.754 251 C HN 0.784 nan 8.230 nan 0.000 0.483 252 T N 4.133 118.753 114.554 0.110 0.000 2.867 252 T HA 0.751 5.102 4.350 0.000 0.000 0.282 252 T C -0.782 173.985 174.700 0.112 0.000 1.000 252 T CA -0.615 61.524 62.100 0.066 0.000 1.042 252 T CB 1.127 69.979 68.868 -0.027 0.000 0.973 252 T HN 0.660 nan 8.240 nan 0.000 0.465 253 L N 2.236 123.516 121.223 0.096 0.000 2.385 253 L HA 0.544 4.884 4.340 0.000 0.000 0.273 253 L C -0.280 176.656 176.870 0.110 0.000 0.990 253 L CA -0.866 54.074 54.840 0.166 0.000 0.821 253 L CB 2.108 44.260 42.059 0.154 0.000 1.279 253 L HN 0.633 nan 8.230 nan 0.000 0.412 254 E N 5.154 125.421 120.200 0.112 0.000 2.186 254 E HA 0.556 4.906 4.350 0.000 0.000 0.255 254 E C -0.779 175.851 176.600 0.051 0.000 0.881 254 E CA -0.217 56.221 56.400 0.063 0.000 0.752 254 E CB 2.431 32.168 29.700 0.061 0.000 1.176 254 E HN 0.481 nan 8.360 nan 0.000 0.421 255 L N 0.127 121.390 121.223 0.066 0.000 2.535 255 L HA 0.643 4.984 4.340 0.000 0.000 0.259 255 L C 1.177 178.049 176.870 0.003 0.000 1.263 255 L CA -1.233 53.654 54.840 0.079 0.000 1.282 255 L CB 0.216 42.370 42.059 0.158 0.000 1.901 255 L HN 0.430 nan 8.230 nan 0.000 0.572 256 G N -1.323 107.475 108.800 -0.004 0.000 2.651 256 G HA2 0.500 4.460 3.960 0.000 0.000 0.260 256 G HA3 0.500 4.460 3.960 0.000 0.000 0.260 256 G C -0.550 174.066 174.900 -0.474 0.000 1.216 256 G CA 0.228 45.167 45.100 -0.268 0.000 0.913 256 G HN 0.755 nan 8.290 nan 0.000 0.535 257 G N -1.471 106.898 108.800 -0.717 0.000 2.690 257 G HA2 0.516 4.476 3.960 0.000 0.000 0.293 257 G HA3 0.516 4.476 3.960 0.000 0.000 0.293 257 G C -1.021 173.528 174.900 -0.584 0.000 1.399 257 G CA -0.662 44.102 45.100 -0.559 0.000 0.890 257 G HN 0.587 nan 8.290 nan 0.000 0.485 258 K N 0.686 120.937 120.400 -0.249 0.000 3.350 258 K HA 0.390 4.711 4.320 0.000 0.000 0.167 258 K C -0.003 176.582 176.600 -0.025 0.000 1.058 258 K CA -0.303 55.935 56.287 -0.083 0.000 0.783 258 K CB 0.207 32.758 32.500 0.085 0.000 0.872 258 K HN 0.411 nan 8.250 nan 0.000 0.561 259 S N 0.643 116.298 115.700 -0.076 0.000 2.562 259 S HA 0.497 4.968 4.470 0.000 0.000 0.281 259 S C -0.078 174.494 174.600 -0.048 0.000 1.333 259 S CA -0.325 57.829 58.200 -0.077 0.000 1.052 259 S CB 1.181 64.279 63.200 -0.169 0.000 0.884 259 S HN 0.504 nan 8.310 nan 0.000 0.506 260 A N 1.789 124.600 122.820 -0.015 0.000 2.304 260 A HA 0.721 5.041 4.320 0.000 0.000 0.323 260 A C -0.012 177.598 177.584 0.042 0.000 1.195 260 A CA -0.770 51.282 52.037 0.025 0.000 0.826 260 A CB 0.644 19.675 19.000 0.051 0.000 1.184 260 A HN 0.970 nan 8.150 nan 0.000 0.496 261 A N 3.224 126.100 122.820 0.093 0.000 2.260 261 A HA 0.603 4.923 4.320 0.000 0.000 0.312 261 A C -0.241 177.492 177.584 0.248 0.000 1.321 261 A CA -0.294 51.885 52.037 0.237 0.000 0.928 261 A CB -0.306 18.814 19.000 0.199 0.000 1.158 261 A HN 0.725 nan 8.150 nan 0.000 0.542 262 I N 4.268 125.022 120.570 0.307 0.000 2.297 262 I HA 0.210 4.381 4.170 0.000 0.000 0.291 262 I C -0.387 175.956 176.117 0.376 0.000 1.033 262 I CA -0.041 61.411 61.300 0.254 0.000 1.253 262 I CB 0.773 38.867 38.000 0.157 0.000 1.396 262 I HN 0.504 nan 8.210 nan 0.000 0.476 263 I N 7.168 127.945 120.570 0.345 0.000 2.325 263 I HA 0.268 4.438 4.170 0.000 0.000 0.291 263 I C 0.132 176.456 176.117 0.345 0.000 1.019 263 I CA -0.362 61.132 61.300 0.323 0.000 1.302 263 I CB 0.769 38.880 38.000 0.185 0.000 1.401 263 I HN 0.356 nan 8.210 nan 0.000 0.485 264 L N 5.540 126.934 121.223 0.284 0.000 2.379 264 L HA 0.258 4.598 4.340 0.000 0.000 0.269 264 L C 1.511 178.489 176.870 0.179 0.000 1.084 264 L CA -0.336 54.654 54.840 0.251 0.000 0.802 264 L CB 1.025 43.197 42.059 0.187 0.000 1.175 264 L HN 0.658 nan 8.230 nan 0.000 0.448 265 E N 0.845 121.133 120.200 0.147 0.000 2.160 265 E HA -0.244 4.106 4.350 0.000 0.000 0.195 265 E C 0.849 177.492 176.600 0.072 0.000 0.991 265 E CA 1.550 57.999 56.400 0.082 0.000 0.810 265 E CB 0.221 29.959 29.700 0.062 0.000 0.742 265 E HN 0.784 nan 8.360 nan 0.000 0.466 266 D N -0.111 120.339 120.400 0.084 0.000 2.324 266 D HA -0.053 4.587 4.640 0.000 0.000 0.235 266 D C 0.536 176.882 176.300 0.076 0.000 1.095 266 D CA -0.122 53.919 54.000 0.069 0.000 0.871 266 D CB -0.121 40.717 40.800 0.062 0.000 0.906 266 D HN -0.013 nan 8.370 nan 0.000 0.522 267 V N 0.817 120.788 119.914 0.095 0.000 2.872 267 V HA 0.010 4.130 4.120 0.000 0.000 0.307 267 V C 0.089 176.226 176.094 0.073 0.000 1.072 267 V CA -0.138 62.228 62.300 0.110 0.000 1.148 267 V CB 1.014 32.920 31.823 0.138 0.000 0.954 267 V HN 0.122 nan 8.190 nan 0.000 0.490 268 D N 4.939 125.383 120.400 0.074 0.000 2.453 268 D HA 0.048 4.689 4.640 0.000 0.000 0.223 268 D C 0.689 177.011 176.300 0.036 0.000 1.183 268 D CA -0.200 53.828 54.000 0.047 0.000 0.933 268 D CB 0.789 41.615 40.800 0.043 0.000 1.038 268 D HN 0.524 nan 8.370 nan 0.000 0.513 269 L N 4.761 125.993 121.223 0.016 0.000 2.012 269 L HA -0.093 4.247 4.340 0.000 0.000 0.210 269 L C 2.118 178.965 176.870 -0.039 0.000 1.073 269 L CA 2.229 57.059 54.840 -0.016 0.000 0.748 269 L CB -0.687 41.357 42.059 -0.025 0.000 0.891 269 L HN 0.427 nan 8.230 nan 0.000 0.431 270 A N -0.840 121.966 122.820 -0.022 0.000 1.972 270 A HA -0.066 4.254 4.320 0.000 0.000 0.219 270 A C 2.395 179.962 177.584 -0.027 0.000 1.169 270 A CA 1.642 53.664 52.037 -0.026 0.000 0.635 270 A CB -0.994 18.001 19.000 -0.008 0.000 0.810 270 A HN 0.572 nan 8.150 nan 0.000 0.446 271 A N -0.408 122.408 122.820 -0.007 0.000 1.929 271 A HA 0.291 4.611 4.320 0.000 0.000 0.216 271 A C 2.411 180.003 177.584 0.013 0.000 1.176 271 A CA 1.692 53.734 52.037 0.008 0.000 0.628 271 A CB -0.728 18.289 19.000 0.028 0.000 0.816 271 A HN 0.932 nan 8.150 nan 0.000 0.444 272 A N -0.251 122.573 122.820 0.006 0.000 1.930 272 A HA 0.099 4.419 4.320 0.000 0.000 0.215 272 A C 1.994 179.392 177.584 -0.310 0.000 1.176 272 A CA 1.051 53.075 52.037 -0.023 0.000 0.632 272 A CB -0.386 18.633 19.000 0.032 0.000 0.819 272 A HN 0.365 nan 8.150 nan 0.000 0.445 273 I N 0.383 120.774 120.570 -0.298 0.000 2.118 273 I HA -0.180 3.990 4.170 0.000 0.000 0.241 273 I C -0.464 175.257 176.117 -0.661 0.000 1.070 273 I CA 1.887 62.925 61.300 -0.437 0.000 1.327 273 I CB -2.011 35.808 38.000 -0.301 0.000 1.034 273 I HN 0.172 nan 8.210 nan 0.000 0.405 274 P HA -0.120 nan 4.420 nan 0.000 0.215 274 P C 2.157 179.199 177.300 -0.430 0.000 1.157 274 P CA 1.528 64.127 63.100 -0.836 0.000 0.863 274 P CB -0.041 31.513 31.700 -0.243 0.000 0.787 275 M N -2.166 117.341 119.600 -0.155 0.000 2.200 275 M HA -0.104 4.376 4.480 0.000 0.000 0.265 275 M C 2.329 178.649 176.300 0.034 0.000 1.066 275 M CA 1.658 57.019 55.300 0.102 0.000 1.127 275 M CB -0.618 32.190 32.600 0.346 0.000 1.379 275 M HN -0.031 nan 8.290 nan 0.000 0.420 276 M N 0.174 119.514 119.600 -0.432 0.000 2.067 276 M HA -0.187 4.293 4.480 0.000 0.000 0.260 276 M C 1.863 177.980 176.300 -0.305 0.000 1.069 276 M CA 1.737 56.623 55.300 -0.688 0.000 1.117 276 M CB -0.035 31.686 32.600 -1.466 0.000 1.334 276 M HN 0.074 nan 8.290 nan 0.000 0.407 277 V N 0.073 119.776 119.914 -0.353 0.000 2.453 277 V HA -0.233 3.888 4.120 0.000 0.000 0.247 277 V C 2.157 178.274 176.094 0.038 0.000 1.048 277 V CA 1.538 63.731 62.300 -0.178 0.000 1.049 277 V CB -0.956 30.738 31.823 -0.215 0.000 0.672 277 V HN 0.508 nan 8.190 nan 0.000 0.457 278 F N 2.123 122.040 119.950 -0.055 0.000 2.171 278 F HA -0.194 4.333 4.527 0.000 0.000 0.300 278 F C 2.697 178.543 175.800 0.076 0.000 1.090 278 F CA 1.550 59.631 58.000 0.136 0.000 1.293 278 F CB -0.363 38.745 39.000 0.181 0.000 1.013 278 F HN 0.258 nan 8.300 nan 0.000 0.486 279 S N -0.691 115.059 115.700 0.083 0.000 2.474 279 S HA -0.035 4.435 4.470 0.000 0.000 0.235 279 S C 2.227 176.776 174.600 -0.085 0.000 0.997 279 S CA 0.893 59.105 58.200 0.020 0.000 0.949 279 S CB -1.136 62.162 63.200 0.163 0.000 0.766 279 S HN 0.402 nan 8.310 nan 0.000 0.517 280 G N 1.156 109.902 108.800 -0.089 0.000 2.426 280 G HA2 0.076 4.036 3.960 0.000 0.000 0.214 280 G HA3 0.076 4.036 3.960 0.000 0.000 0.214 280 G C 1.337 176.158 174.900 -0.133 0.000 1.156 280 G CA 0.738 45.781 45.100 -0.095 0.000 0.802 280 G HN 0.953 nan 8.290 nan 0.000 0.534 281 V N -0.988 118.820 119.914 -0.178 0.000 3.578 281 V HA 0.404 4.524 4.120 0.000 0.000 0.290 281 V C 1.259 177.166 176.094 -0.311 0.000 1.376 281 V CA -0.053 62.138 62.300 -0.182 0.000 1.083 281 V CB -0.620 31.158 31.823 -0.075 0.000 0.911 281 V HN 0.377 nan 8.190 nan 0.000 0.433 282 M N 0.643 119.928 119.600 -0.525 0.000 2.250 282 M HA 0.301 4.781 4.480 0.000 0.000 0.337 282 M C 0.744 176.888 176.300 -0.261 0.000 1.161 282 M CA 0.811 55.767 55.300 -0.572 0.000 1.088 282 M CB -0.689 31.530 32.600 -0.634 0.000 1.639 282 M HN 0.277 nan 8.290 nan 0.000 0.447 283 N N 1.652 120.274 118.700 -0.131 0.000 2.747 283 N HA -0.207 4.533 4.740 0.000 0.000 0.249 283 N C 0.135 175.606 175.510 -0.065 0.000 1.107 283 N CA 1.420 54.452 53.050 -0.030 0.000 0.707 283 N CB -1.164 37.295 38.487 -0.047 0.000 1.054 283 N HN 1.319 nan 8.380 nan 0.000 0.555 284 A N -1.766 121.015 122.820 -0.065 0.000 2.745 284 A HA 0.100 4.421 4.320 0.000 0.000 0.296 284 A C 2.155 179.669 177.584 -0.117 0.000 1.500 284 A CA 1.875 53.882 52.037 -0.051 0.000 0.766 284 A CB -1.867 17.133 19.000 0.001 0.000 1.030 284 A HN 2.151 nan 8.150 nan 0.000 0.489 285 G N -2.312 106.376 108.800 -0.186 0.000 2.184 285 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 285 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 285 G C 0.154 174.748 174.900 -0.511 0.000 0.975 285 G CA 0.863 45.815 45.100 -0.247 0.000 0.642 285 G HN 1.396 nan 8.290 nan 0.000 0.536 286 Q N 0.597 120.041 119.800 -0.595 0.000 3.207 286 Q HA 0.501 4.842 4.340 0.000 0.000 0.335 286 Q C 0.611 176.099 176.000 -0.853 0.000 1.374 286 Q CA 0.321 55.373 55.803 -1.252 0.000 1.023 286 Q CB 0.711 29.123 28.738 -0.543 0.000 1.576 286 Q HN 0.539 nan 8.270 nan 0.000 0.515 287 G N -0.530 107.897 108.800 -0.622 0.000 2.719 287 G HA2 0.281 4.242 3.960 0.000 0.000 0.298 287 G HA3 0.281 4.242 3.960 0.000 0.000 0.298 287 G C 0.601 175.528 174.900 0.045 0.000 1.433 287 G CA -0.766 44.233 45.100 -0.168 0.000 1.034 287 G HN 0.572 nan 8.290 nan 0.000 0.517 288 C N 1.013 120.405 119.300 0.154 0.000 2.435 288 C HA 0.008 4.468 4.460 0.000 0.000 0.279 288 C C 2.383 177.387 174.990 0.022 0.000 1.321 288 C CA 1.053 60.145 59.018 0.123 0.000 1.752 288 C CB -1.317 26.481 27.740 0.097 0.000 1.959 288 C HN 0.789 nan 8.230 nan 0.000 0.500 289 V N -0.824 119.111 119.914 0.036 0.000 3.649 289 V HA 0.240 4.361 4.120 0.000 0.000 0.275 289 V C 0.183 176.155 176.094 -0.204 0.000 1.281 289 V CA -0.064 62.193 62.300 -0.072 0.000 1.143 289 V CB -1.523 30.339 31.823 0.065 0.000 0.892 289 V HN 0.403 nan 8.190 nan 0.000 0.441 290 N N 2.573 121.193 118.700 -0.132 0.000 2.454 290 N HA 0.108 4.849 4.740 0.000 0.000 0.254 290 N C 0.137 175.553 175.510 -0.157 0.000 1.228 290 N CA 0.369 53.329 53.050 -0.149 0.000 0.900 290 N CB 0.190 38.592 38.487 -0.142 0.000 1.089 290 N HN 0.452 nan 8.380 nan 0.000 0.449 291 Q N 1.236 120.953 119.800 -0.138 0.000 2.553 291 Q HA 0.099 4.439 4.340 0.000 0.000 0.221 291 Q C 0.529 176.492 176.000 -0.062 0.000 1.219 291 Q CA 0.006 55.749 55.803 -0.100 0.000 0.955 291 Q CB -0.315 28.394 28.738 -0.048 0.000 1.399 291 Q HN 0.721 nan 8.270 nan 0.000 0.551 292 T N -1.590 112.931 114.554 -0.055 0.000 3.040 292 T HA 0.202 4.552 4.350 0.000 0.000 0.250 292 T C 0.694 175.394 174.700 0.000 0.000 1.058 292 T CA -0.052 62.029 62.100 -0.032 0.000 0.988 292 T CB 0.542 69.385 68.868 -0.042 0.000 0.993 292 T HN 0.197 nan 8.240 nan 0.000 0.519 293 R N 0.798 121.302 120.500 0.006 0.000 2.387 293 R HA 0.662 5.003 4.340 0.000 0.000 0.314 293 R C -1.055 175.271 176.300 0.044 0.000 0.958 293 R CA -0.584 55.537 56.100 0.036 0.000 0.846 293 R CB 1.596 31.921 30.300 0.042 0.000 1.147 293 R HN 0.311 nan 8.270 nan 0.000 0.447 294 I N 4.940 125.546 120.570 0.060 0.000 2.355 294 I HA 0.262 4.432 4.170 0.000 0.000 0.288 294 I C -0.315 175.879 176.117 0.129 0.000 0.999 294 I CA -0.595 60.741 61.300 0.061 0.000 1.163 294 I CB 1.421 39.425 38.000 0.007 0.000 1.316 294 I HN 0.357 nan 8.210 nan 0.000 0.454 295 L N 6.629 127.956 121.223 0.173 0.000 2.255 295 L HA 0.667 5.007 4.340 0.000 0.000 0.289 295 L C 0.185 177.309 176.870 0.424 0.000 1.046 295 L CA -0.432 54.583 54.840 0.290 0.000 0.816 295 L CB 1.065 43.243 42.059 0.198 0.000 1.197 295 L HN 0.623 nan 8.230 nan 0.000 0.427 296 A N 6.395 129.451 122.820 0.393 0.000 2.318 296 A HA 0.789 5.109 4.320 0.000 0.000 0.317 296 A C -2.512 175.038 177.584 -0.058 0.000 1.159 296 A CA -1.682 50.490 52.037 0.225 0.000 0.799 296 A CB 1.054 20.157 19.000 0.172 0.000 1.194 296 A HN 0.385 nan 8.150 nan 0.000 0.479 297 P HA 0.074 nan 4.420 nan 0.000 0.268 297 P C 0.446 177.581 177.300 -0.276 0.000 1.204 297 P CA -0.105 62.528 63.100 -0.779 0.000 0.768 297 P CB 0.970 32.416 31.700 -0.423 0.000 0.842 298 R N 3.696 124.024 120.500 -0.287 0.000 2.127 298 R HA -0.159 4.181 4.340 0.000 0.000 0.238 298 R C 2.096 178.378 176.300 -0.031 0.000 1.134 298 R CA 2.418 58.446 56.100 -0.120 0.000 0.975 298 R CB -1.367 28.843 30.300 -0.150 0.000 0.865 298 R HN 0.554 nan 8.270 nan 0.000 0.447 299 S N -0.631 115.030 115.700 -0.065 0.000 2.442 299 S HA -0.082 4.388 4.470 0.000 0.000 0.236 299 S C 1.309 175.911 174.600 0.003 0.000 1.007 299 S CA 0.895 59.081 58.200 -0.024 0.000 0.965 299 S CB -0.107 63.076 63.200 -0.028 0.000 0.773 299 S HN 0.438 nan 8.310 nan 0.000 0.504 300 R N -1.203 119.303 120.500 0.010 0.000 2.629 300 R HA 0.304 4.644 4.340 0.000 0.000 0.408 300 R C 0.529 176.848 176.300 0.031 0.000 1.057 300 R CA -0.236 55.873 56.100 0.014 0.000 1.119 300 R CB -0.129 30.170 30.300 -0.003 0.000 1.403 300 R HN 0.365 nan 8.270 nan 0.000 0.576 301 Y N 2.046 122.313 120.300 -0.054 0.000 2.114 301 Y HA -0.235 4.316 4.550 0.000 0.000 0.284 301 Y C 1.671 177.559 175.900 -0.021 0.000 1.143 301 Y CA 1.934 60.008 58.100 -0.043 0.000 1.135 301 Y CB 0.226 38.659 38.460 -0.044 0.000 0.980 301 Y HN 0.023 nan 8.280 nan 0.000 0.499 302 D N -0.004 120.417 120.400 0.036 0.000 2.117 302 D HA -0.213 4.427 4.640 0.000 0.000 0.197 302 D C 2.079 178.327 176.300 -0.088 0.000 0.987 302 D CA 1.606 55.586 54.000 -0.034 0.000 0.829 302 D CB -0.396 40.423 40.800 0.033 0.000 0.961 302 D HN 0.611 nan 8.370 nan 0.000 0.460 303 E N 0.432 120.596 120.200 -0.060 0.000 2.051 303 E HA -0.160 4.190 4.350 0.000 0.000 0.192 303 E C 2.291 178.835 176.600 -0.093 0.000 0.991 303 E CA 0.705 57.071 56.400 -0.058 0.000 0.799 303 E CB -0.093 29.587 29.700 -0.033 0.000 0.748 303 E HN 0.238 nan 8.360 nan 0.000 0.449 304 I N 0.515 121.004 120.570 -0.135 0.000 2.202 304 I HA -0.246 3.924 4.170 0.000 0.000 0.242 304 I C 2.474 178.467 176.117 -0.207 0.000 1.091 304 I CA 0.650 61.851 61.300 -0.165 0.000 1.368 304 I CB -0.164 37.732 38.000 -0.173 0.000 1.058 304 I HN 0.052 nan 8.210 nan 0.000 0.410 305 V N 1.174 120.896 119.914 -0.320 0.000 2.282 305 V HA -0.360 3.760 4.120 0.000 0.000 0.249 305 V C 2.699 178.712 176.094 -0.136 0.000 1.057 305 V CA 2.209 64.347 62.300 -0.270 0.000 1.032 305 V CB -1.116 30.506 31.823 -0.335 0.000 0.645 305 V HN 0.528 nan 8.190 nan 0.000 0.447 306 A N -0.292 122.464 122.820 -0.107 0.000 1.898 306 A HA -0.051 4.269 4.320 0.000 0.000 0.216 306 A C 2.415 179.976 177.584 -0.038 0.000 1.181 306 A CA 1.957 53.959 52.037 -0.058 0.000 0.620 306 A CB -0.733 18.242 19.000 -0.042 0.000 0.819 306 A HN 0.579 nan 8.150 nan 0.000 0.442 307 A N -0.521 122.269 122.820 -0.049 0.000 1.902 307 A HA 0.012 4.332 4.320 0.000 0.000 0.217 307 A C 2.229 179.811 177.584 -0.002 0.000 1.181 307 A CA 1.767 53.788 52.037 -0.027 0.000 0.623 307 A CB -0.900 18.068 19.000 -0.053 0.000 0.818 307 A HN 0.365 nan 8.150 nan 0.000 0.443 308 V N 0.631 120.522 119.914 -0.039 0.000 2.295 308 V HA -0.251 3.869 4.120 0.000 0.000 0.246 308 V C 3.070 179.195 176.094 0.052 0.000 1.049 308 V CA 2.535 64.829 62.300 -0.009 0.000 1.024 308 V CB -1.462 30.326 31.823 -0.058 0.000 0.648 308 V HN 0.852 nan 8.190 nan 0.000 0.447 309 T N -1.280 113.278 114.554 0.007 0.000 2.746 309 T HA -0.204 4.146 4.350 0.000 0.000 0.267 309 T C 1.733 176.446 174.700 0.023 0.000 1.039 309 T CA 1.705 63.809 62.100 0.006 0.000 1.142 309 T CB -0.533 68.321 68.868 -0.023 0.000 0.866 309 T HN 0.408 nan 8.240 nan 0.000 0.444 310 N N 0.784 119.503 118.700 0.031 0.000 2.166 310 N HA 0.012 4.752 4.740 0.000 0.000 0.186 310 N C 1.409 176.952 175.510 0.055 0.000 1.019 310 N CA 1.029 54.097 53.050 0.030 0.000 0.856 310 N CB -0.696 37.808 38.487 0.028 0.000 0.993 310 N HN 0.514 nan 8.380 nan 0.000 0.426 311 F N 1.666 121.599 119.950 -0.028 0.000 2.113 311 F HA -0.122 4.406 4.527 0.000 0.000 0.297 311 F C 2.155 177.956 175.800 0.002 0.000 1.103 311 F CA 0.895 58.887 58.000 -0.014 0.000 1.248 311 F CB -0.332 38.658 39.000 -0.017 0.000 0.999 311 F HN -0.229 nan 8.300 nan 0.000 0.475 312 V N 0.434 120.418 119.914 0.116 0.000 2.287 312 V HA -0.350 3.770 4.120 0.000 0.000 0.248 312 V C 2.580 178.629 176.094 -0.074 0.000 1.053 312 V CA 2.512 64.827 62.300 0.025 0.000 1.027 312 V CB -1.438 30.427 31.823 0.071 0.000 0.646 312 V HN 0.636 nan 8.190 nan 0.000 0.447 313 T N -1.485 113.033 114.554 -0.059 0.000 3.035 313 T HA 0.016 4.367 4.350 0.000 0.000 0.268 313 T C 1.655 176.297 174.700 -0.097 0.000 1.109 313 T CA 1.139 63.199 62.100 -0.065 0.000 1.119 313 T CB -0.233 68.607 68.868 -0.047 0.000 0.900 313 T HN 0.456 nan 8.240 nan 0.000 0.503 314 A N 0.800 123.529 122.820 -0.150 0.000 2.169 314 A HA 0.467 4.787 4.320 0.000 0.000 0.212 314 A C 1.030 178.487 177.584 -0.211 0.000 1.153 314 A CA -0.183 51.750 52.037 -0.174 0.000 0.756 314 A CB -0.458 18.429 19.000 -0.188 0.000 0.813 314 A HN 0.566 nan 8.150 nan 0.000 0.471 315 L N 2.189 123.266 121.223 -0.243 0.000 2.410 315 L HA 0.212 4.552 4.340 0.000 0.000 0.273 315 L C -2.083 174.737 176.870 -0.084 0.000 1.144 315 L CA -1.664 53.066 54.840 -0.182 0.000 0.863 315 L CB 0.561 42.542 42.059 -0.130 0.000 1.140 315 L HN 0.137 nan 8.230 nan 0.000 0.463 316 P HA 0.136 nan 4.420 nan 0.000 0.276 316 P C -0.788 176.507 177.300 -0.008 0.000 1.230 316 P CA -0.215 62.860 63.100 -0.041 0.000 0.776 316 P CB 1.245 32.923 31.700 -0.036 0.000 0.888 317 V N 3.055 122.949 119.914 -0.033 0.000 2.398 317 V HA 0.839 4.959 4.120 0.000 0.000 0.286 317 V C 0.761 176.790 176.094 -0.109 0.000 1.026 317 V CA 0.092 62.382 62.300 -0.016 0.000 0.868 317 V CB 1.141 32.940 31.823 -0.040 0.000 0.982 317 V HN 0.979 nan 8.190 nan 0.000 0.443 318 G N 5.627 114.418 108.800 -0.015 0.000 2.441 318 G HA2 0.602 4.562 3.960 0.000 0.000 0.294 318 G HA3 0.602 4.562 3.960 0.000 0.000 0.294 318 G C -3.474 171.546 174.900 0.201 0.000 1.393 318 G CA -0.694 44.347 45.100 -0.099 0.000 0.796 318 G HN 0.492 nan 8.290 nan 0.000 0.494 319 P HA 0.382 nan 4.420 nan 0.000 0.284 319 P C -2.244 175.127 177.300 0.118 0.000 1.292 319 P CA -1.326 61.928 63.100 0.256 0.000 0.800 319 P CB 2.087 33.902 31.700 0.191 0.000 1.188 320 P HA -0.147 nan 4.420 nan 0.000 0.218 320 P C 1.612 178.928 177.300 0.027 0.000 1.146 320 P CA 1.865 64.991 63.100 0.043 0.000 0.813 320 P CB -0.440 31.273 31.700 0.021 0.000 0.778 321 S N -2.639 113.076 115.700 0.024 0.000 2.555 321 S HA -0.031 4.439 4.470 0.000 0.000 0.230 321 S C 0.589 175.191 174.600 0.003 0.000 0.978 321 S CA 0.421 58.626 58.200 0.008 0.000 0.934 321 S CB -0.725 62.476 63.200 0.003 0.000 0.766 321 S HN 0.006 nan 8.310 nan 0.000 0.533 322 D N 3.264 123.670 120.400 0.009 0.000 2.443 322 D HA 0.307 4.947 4.640 0.000 0.000 0.221 322 D C -1.554 174.751 176.300 0.008 0.000 1.097 322 D CA -2.284 51.717 54.000 0.000 0.000 0.865 322 D CB 1.647 42.443 40.800 -0.007 0.000 1.034 322 D HN 0.142 nan 8.370 nan 0.000 0.511 323 P HA -0.104 nan 4.420 nan 0.000 0.222 323 P C 0.697 178.002 177.300 0.008 0.000 1.147 323 P CA 0.588 63.691 63.100 0.005 0.000 0.790 323 P CB 0.520 32.218 31.700 -0.003 0.000 0.780 324 A N -0.794 122.028 122.820 0.002 0.000 2.308 324 A HA 0.506 4.826 4.320 0.000 0.000 0.217 324 A C 1.257 178.847 177.584 0.011 0.000 1.216 324 A CA 0.064 52.101 52.037 0.000 0.000 0.864 324 A CB -0.589 18.403 19.000 -0.014 0.000 0.902 324 A HN 0.235 nan 8.150 nan 0.000 0.499 325 A N -0.410 122.424 122.820 0.023 0.000 2.483 325 A HA 0.394 4.715 4.320 0.000 0.000 0.238 325 A C 0.913 178.544 177.584 0.080 0.000 1.070 325 A CA 0.114 52.176 52.037 0.041 0.000 0.770 325 A CB 0.279 19.311 19.000 0.054 0.000 1.008 325 A HN 0.359 nan 8.150 nan 0.000 0.497 326 Q N 0.198 120.060 119.800 0.103 0.000 2.369 326 Q HA 0.231 4.571 4.340 0.000 0.000 0.254 326 Q C -0.372 175.750 176.000 0.205 0.000 0.858 326 Q CA 0.540 56.454 55.803 0.186 0.000 0.961 326 Q CB 0.665 29.532 28.738 0.215 0.000 1.119 326 Q HN 0.687 nan 8.270 nan 0.000 0.538 327 I N 1.269 121.933 120.570 0.156 0.000 2.382 327 I HA 0.388 4.558 4.170 0.000 0.000 0.286 327 I C 0.676 176.927 176.117 0.223 0.000 1.002 327 I CA -0.421 60.969 61.300 0.149 0.000 1.135 327 I CB 0.922 38.995 38.000 0.122 0.000 1.288 327 I HN -0.090 nan 8.210 nan 0.000 0.448 328 G N 8.149 117.060 108.800 0.185 0.000 2.510 328 G HA2 0.612 4.572 3.960 0.000 0.000 0.280 328 G HA3 0.612 4.572 3.960 0.000 0.000 0.280 328 G C -2.657 172.248 174.900 0.010 0.000 1.386 328 G CA -0.834 44.379 45.100 0.189 0.000 1.047 328 G HN 0.376 nan 8.290 nan 0.000 0.527 329 P HA 0.326 nan 4.420 nan 0.000 0.281 329 P C -0.159 177.009 177.300 -0.220 0.000 1.281 329 P CA -0.537 62.105 63.100 -0.764 0.000 0.811 329 P CB 1.338 32.319 31.700 -1.199 0.000 1.154 330 L N 0.702 121.864 121.223 -0.102 0.000 2.466 330 L HA 0.126 4.467 4.340 0.000 0.000 0.257 330 L C 2.212 179.077 176.870 -0.008 0.000 1.189 330 L CA -0.411 54.430 54.840 0.001 0.000 0.813 330 L CB -0.103 41.973 42.059 0.030 0.000 1.118 330 L HN 0.283 nan 8.230 nan 0.000 0.471 331 I N 0.054 120.551 120.570 -0.122 0.000 2.493 331 I HA -0.113 4.057 4.170 0.000 0.000 0.254 331 I C 0.892 176.855 176.117 -0.255 0.000 1.160 331 I CA 0.911 62.045 61.300 -0.275 0.000 1.445 331 I CB 0.058 37.500 38.000 -0.931 0.000 1.086 331 I HN 0.727 nan 8.210 nan 0.000 0.433 332 S N -2.212 113.210 115.700 -0.463 0.000 2.588 332 S HA 0.338 4.809 4.470 0.000 0.000 0.269 332 S C 0.476 174.292 174.600 -1.307 0.000 1.157 332 S CA -0.514 57.111 58.200 -0.959 0.000 0.824 332 S CB 1.205 64.056 63.200 -0.581 0.000 1.126 332 S HN 0.011 nan 8.310 nan 0.000 0.464 333 E N 1.283 120.523 120.200 -1.600 0.000 2.110 333 E HA -0.066 4.284 4.350 0.000 0.000 0.193 333 E C 1.728 178.109 176.600 -0.366 0.000 0.988 333 E CA 1.817 57.733 56.400 -0.806 0.000 0.804 333 E CB -0.168 29.290 29.700 -0.403 0.000 0.745 333 E HN 0.655 nan 8.360 nan 0.000 0.458 334 K N -0.355 119.853 120.400 -0.321 0.000 2.063 334 K HA -0.190 4.130 4.320 0.000 0.000 0.208 334 K C 2.147 178.678 176.600 -0.115 0.000 1.048 334 K CA 1.419 57.606 56.287 -0.168 0.000 0.928 334 K CB 0.026 32.444 32.500 -0.137 0.000 0.713 334 K HN 0.099 nan 8.250 nan 0.000 0.442 335 Q N 0.259 119.966 119.800 -0.155 0.000 2.079 335 Q HA -0.178 4.163 4.340 0.000 0.000 0.200 335 Q C 2.132 178.138 176.000 0.010 0.000 0.974 335 Q CA 1.372 57.156 55.803 -0.033 0.000 0.840 335 Q CB -0.217 28.498 28.738 -0.039 0.000 0.898 335 Q HN 0.332 nan 8.270 nan 0.000 0.430 336 R N 0.035 120.501 120.500 -0.055 0.000 2.091 336 R HA -0.114 4.226 4.340 0.000 0.000 0.238 336 R C 2.124 178.447 176.300 0.039 0.000 1.136 336 R CA 1.828 57.940 56.100 0.020 0.000 0.959 336 R CB -0.141 30.180 30.300 0.036 0.000 0.856 336 R HN 0.140 nan 8.270 nan 0.000 0.437 337 T N 0.311 114.865 114.554 -0.000 0.000 2.720 337 T HA -0.179 4.172 4.350 0.000 0.000 0.268 337 T C 1.712 176.429 174.700 0.028 0.000 1.037 337 T CA 1.671 63.778 62.100 0.011 0.000 1.144 337 T CB -0.232 68.626 68.868 -0.016 0.000 0.864 337 T HN 0.348 nan 8.240 nan 0.000 0.444 338 R N 0.452 120.978 120.500 0.045 0.000 2.075 338 R HA -0.045 4.295 4.340 0.000 0.000 0.232 338 R C 2.316 178.719 176.300 0.171 0.000 1.126 338 R CA 1.092 57.236 56.100 0.073 0.000 0.963 338 R CB -0.461 29.916 30.300 0.127 0.000 0.858 338 R HN 0.212 nan 8.270 nan 0.000 0.435 339 V N 1.346 121.390 119.914 0.216 0.000 2.343 339 V HA -0.210 3.911 4.120 0.000 0.000 0.247 339 V C 1.965 178.197 176.094 0.230 0.000 1.051 339 V CA 2.056 64.523 62.300 0.277 0.000 1.036 339 V CB -0.454 31.491 31.823 0.204 0.000 0.654 339 V HN 0.427 nan 8.190 nan 0.000 0.451 340 E N 0.257 120.546 120.200 0.149 0.000 2.153 340 E HA -0.143 4.208 4.350 0.000 0.000 0.194 340 E C 2.303 178.965 176.600 0.103 0.000 0.988 340 E CA 1.088 57.562 56.400 0.124 0.000 0.811 340 E CB -0.421 29.333 29.700 0.090 0.000 0.746 340 E HN 0.664 nan 8.360 nan 0.000 0.466 341 G N 0.226 109.057 108.800 0.051 0.000 2.422 341 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 341 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 341 G C 1.088 175.965 174.900 -0.037 0.000 1.146 341 G CA 0.547 45.626 45.100 -0.034 0.000 0.769 341 G HN 0.206 nan 8.290 nan 0.000 0.547 342 Y N 0.616 120.961 120.300 0.074 0.000 2.242 342 Y HA 0.069 4.619 4.550 0.000 0.000 0.291 342 Y C 2.737 178.690 175.900 0.088 0.000 1.137 342 Y CA 0.564 58.704 58.100 0.067 0.000 1.181 342 Y CB -0.193 38.316 38.460 0.082 0.000 0.989 342 Y HN 0.124 nan 8.280 nan 0.000 0.527 343 I N -0.713 120.048 120.570 0.318 0.000 2.226 343 I HA -0.354 3.816 4.170 0.000 0.000 0.245 343 I C 2.558 178.857 176.117 0.302 0.000 1.100 343 I CA 1.254 62.786 61.300 0.386 0.000 1.374 343 I CB -0.642 37.548 38.000 0.317 0.000 1.057 343 I HN 0.174 nan 8.210 nan 0.000 0.413 344 A N 0.676 123.602 122.820 0.177 0.000 1.902 344 A HA -0.270 4.050 4.320 0.000 0.000 0.217 344 A C 2.274 179.904 177.584 0.077 0.000 1.181 344 A CA 2.021 54.128 52.037 0.117 0.000 0.623 344 A CB -0.458 18.583 19.000 0.068 0.000 0.818 344 A HN 0.253 nan 8.150 nan 0.000 0.443 345 K N -0.049 120.380 120.400 0.049 0.000 2.097 345 K HA -0.041 4.279 4.320 0.000 0.000 0.206 345 K C 1.894 178.469 176.600 -0.042 0.000 1.049 345 K CA 1.629 57.922 56.287 0.011 0.000 0.933 345 K CB -0.886 31.624 32.500 0.018 0.000 0.717 345 K HN 0.324 nan 8.250 nan 0.000 0.442 346 G N 0.681 109.403 108.800 -0.130 0.000 2.418 346 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 346 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 346 G C 1.578 176.325 174.900 -0.254 0.000 1.158 346 G CA 1.144 45.952 45.100 -0.488 0.000 0.771 346 G HN 0.329 nan 8.290 nan 0.000 0.545 347 I N 0.446 121.038 120.570 0.037 0.000 2.252 347 I HA -0.120 4.051 4.170 0.000 0.000 0.245 347 I C 2.720 178.876 176.117 0.066 0.000 1.102 347 I CA 1.194 62.588 61.300 0.157 0.000 1.385 347 I CB -0.243 37.882 38.000 0.209 0.000 1.064 347 I HN 0.217 nan 8.210 nan 0.000 0.414 348 E N 0.581 120.803 120.200 0.038 0.000 2.204 348 E HA -0.216 4.135 4.350 0.000 0.000 0.195 348 E C 1.680 178.285 176.600 0.008 0.000 0.990 348 E CA 0.946 57.360 56.400 0.023 0.000 0.821 348 E CB -0.018 29.692 29.700 0.017 0.000 0.750 348 E HN 0.519 nan 8.360 nan 0.000 0.477 349 E N -0.902 119.289 120.200 -0.014 0.000 2.489 349 E HA 0.045 4.396 4.350 0.000 0.000 0.193 349 E C 0.856 177.450 176.600 -0.011 0.000 1.057 349 E CA 0.301 56.690 56.400 -0.019 0.000 0.866 349 E CB 0.655 30.334 29.700 -0.036 0.000 0.916 349 E HN 0.359 nan 8.360 nan 0.000 0.500 350 G N 0.948 109.751 108.800 0.005 0.000 2.179 350 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 350 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 350 G C 0.366 175.294 174.900 0.046 0.000 0.990 350 G CA -0.125 44.991 45.100 0.028 0.000 0.646 350 G HN 0.427 nan 8.290 nan 0.000 0.517 351 A N -0.070 122.765 122.820 0.024 0.000 2.386 351 A HA 0.704 5.024 4.320 0.000 0.000 0.248 351 A C 0.673 178.414 177.584 0.261 0.000 1.082 351 A CA 0.619 52.713 52.037 0.096 0.000 0.789 351 A CB 0.323 19.271 19.000 -0.087 0.000 1.025 351 A HN 0.785 nan 8.150 nan 0.000 0.490 352 R N 1.529 122.210 120.500 0.301 0.000 2.255 352 R HA 0.424 4.764 4.340 0.000 0.000 0.326 352 R C -0.924 175.524 176.300 0.246 0.000 0.986 352 R CA -0.668 55.580 56.100 0.246 0.000 0.847 352 R CB 0.532 30.924 30.300 0.153 0.000 1.111 352 R HN 0.647 nan 8.270 nan 0.000 0.452 353 L N 6.725 128.022 121.223 0.124 0.000 2.456 353 L HA 0.061 4.402 4.340 0.000 0.000 0.277 353 L C 0.566 177.359 176.870 -0.127 0.000 1.124 353 L CA 0.425 55.136 54.840 -0.215 0.000 0.880 353 L CB 1.403 43.346 42.059 -0.194 0.000 1.192 353 L HN 0.699 nan 8.230 nan 0.000 0.463 354 V N 2.035 121.857 119.914 -0.153 0.000 3.661 354 V HA 0.308 4.428 4.120 0.000 0.000 0.271 354 V C 0.488 176.528 176.094 -0.089 0.000 1.315 354 V CA 0.432 62.685 62.300 -0.079 0.000 1.072 354 V CB -0.678 31.122 31.823 -0.038 0.000 0.830 354 V HN 0.915 nan 8.190 nan 0.000 0.443 355 C N -2.083 117.135 119.300 -0.136 0.000 3.307 355 C HA 0.885 5.345 4.460 0.000 0.000 0.333 355 C C 0.689 175.600 174.990 -0.133 0.000 1.291 355 C CA -0.106 58.849 59.018 -0.104 0.000 1.273 355 C CB 1.032 28.731 27.740 -0.069 0.000 1.580 355 C HN 2.014 nan 8.230 nan 0.000 0.481 356 G N 0.999 109.746 108.800 -0.088 0.000 2.525 356 G HA2 0.391 4.351 3.960 0.000 0.000 0.248 356 G HA3 0.391 4.351 3.960 0.000 0.000 0.248 356 G C 1.195 176.048 174.900 -0.079 0.000 1.238 356 G CA 1.881 46.938 45.100 -0.072 0.000 0.926 356 G HN 3.273 nan 8.290 nan 0.000 0.574 357 G N -1.981 106.784 108.800 -0.057 0.000 2.175 357 G HA2 0.351 4.312 3.960 0.000 0.000 0.244 357 G HA3 0.351 4.312 3.960 0.000 0.000 0.244 357 G C 1.555 176.467 174.900 0.020 0.000 0.982 357 G CA 1.141 46.228 45.100 -0.023 0.000 0.641 357 G HN 2.486 nan 8.290 nan 0.000 0.527 358 G N -1.025 107.786 108.800 0.018 0.000 3.262 358 G HA2 0.743 4.703 3.960 0.000 0.000 0.229 358 G HA3 0.743 4.703 3.960 0.000 0.000 0.229 358 G C -0.541 174.388 174.900 0.048 0.000 1.280 358 G CA -0.882 44.237 45.100 0.032 0.000 0.951 358 G HN 0.424 nan 8.290 nan 0.000 0.589 359 R N 0.495 121.024 120.500 0.048 0.000 2.740 359 R HA 0.459 4.799 4.340 0.000 0.000 0.282 359 R C -2.500 173.819 176.300 0.031 0.000 0.969 359 R CA -1.464 54.675 56.100 0.066 0.000 0.918 359 R CB 2.238 32.589 30.300 0.084 0.000 1.175 359 R HN 0.358 nan 8.270 nan 0.000 0.464 360 P HA 0.002 nan 4.420 nan 0.000 0.275 360 P C -0.659 176.605 177.300 -0.060 0.000 1.228 360 P CA -0.175 62.898 63.100 -0.046 0.000 0.786 360 P CB 0.759 32.389 31.700 -0.116 0.000 0.927 361 E N 0.875 121.037 120.200 -0.063 0.000 2.384 361 E HA 0.218 4.568 4.350 0.000 0.000 0.266 361 E C 1.289 177.838 176.600 -0.085 0.000 1.012 361 E CA 0.995 57.361 56.400 -0.057 0.000 0.901 361 E CB 0.245 29.917 29.700 -0.047 0.000 0.967 361 E HN 0.807 nan 8.360 nan 0.000 0.435 362 G N 3.585 112.344 108.800 -0.068 0.000 2.176 362 G HA2 -0.244 3.717 3.960 0.000 0.000 0.253 362 G HA3 -0.244 3.717 3.960 0.000 0.000 0.253 362 G C 0.506 175.345 174.900 -0.102 0.000 0.979 362 G CA 0.364 45.418 45.100 -0.077 0.000 0.641 362 G HN 0.486 nan 8.290 nan 0.000 0.530 363 L N 0.527 121.680 121.223 -0.117 0.000 3.154 363 L HA 0.303 4.643 4.340 0.000 0.000 0.266 363 L C 0.875 177.762 176.870 0.028 0.000 1.300 363 L CA -0.443 54.315 54.840 -0.135 0.000 1.028 363 L CB 0.565 42.334 42.059 -0.483 0.000 1.412 363 L HN -0.069 nan 8.230 nan 0.000 0.564 364 D N 0.316 120.724 120.400 0.014 0.000 2.310 364 D HA -0.100 4.540 4.640 0.000 0.000 0.212 364 D C 1.472 177.782 176.300 0.018 0.000 0.965 364 D CA 0.870 54.891 54.000 0.035 0.000 0.879 364 D CB 0.181 40.992 40.800 0.019 0.000 0.921 364 D HN 0.256 nan 8.370 nan 0.000 0.510 365 N N 0.117 118.818 118.700 0.002 0.000 2.461 365 N HA 0.039 4.780 4.740 0.000 0.000 0.188 365 N C 0.858 176.273 175.510 -0.158 0.000 1.134 365 N CA 0.297 53.313 53.050 -0.056 0.000 0.878 365 N CB 0.659 39.125 38.487 -0.035 0.000 0.972 365 N HN 0.090 nan 8.380 nan 0.000 0.456 366 G N -1.059 107.703 108.800 -0.063 0.000 2.537 366 G HA2 0.521 4.481 3.960 0.000 0.000 0.308 366 G HA3 0.521 4.481 3.960 0.000 0.000 0.308 366 G C -0.787 173.956 174.900 -0.261 0.000 1.237 366 G CA -0.709 44.240 45.100 -0.252 0.000 0.968 366 G HN 0.079 nan 8.290 nan 0.000 0.481 367 F N 0.933 120.782 119.950 -0.169 0.000 2.733 367 F HA 0.334 4.861 4.527 0.000 0.000 0.344 367 F C -0.071 175.631 175.800 -0.164 0.000 1.179 367 F CA -0.551 57.376 58.000 -0.122 0.000 1.316 367 F CB -0.314 38.604 39.000 -0.137 0.000 1.577 367 F HN 0.054 nan 8.300 nan 0.000 0.591 368 F N 1.911 121.929 119.950 0.114 0.000 2.375 368 F HA 0.517 5.044 4.527 0.000 0.000 0.333 368 F C 0.521 176.368 175.800 0.078 0.000 1.104 368 F CA -1.112 56.934 58.000 0.077 0.000 1.149 368 F CB 0.997 40.015 39.000 0.030 0.000 1.190 368 F HN 0.030 nan 8.300 nan 0.000 0.533 369 I N -1.013 119.714 120.570 0.261 0.000 2.934 369 I HA 0.494 4.664 4.170 0.000 0.000 0.306 369 I C -1.158 175.046 176.117 0.146 0.000 1.110 369 I CA -1.234 60.171 61.300 0.174 0.000 1.019 369 I CB 1.860 39.938 38.000 0.129 0.000 1.227 369 I HN 0.466 nan 8.210 nan 0.000 0.434 370 Q N 3.476 123.330 119.800 0.089 0.000 2.311 370 Q HA 0.289 4.629 4.340 0.000 0.000 0.272 370 Q C -2.302 173.723 176.000 0.041 0.000 1.012 370 Q CA -1.456 54.377 55.803 0.050 0.000 0.891 370 Q CB 0.052 28.799 28.738 0.015 0.000 1.201 370 Q HN 0.412 nan 8.270 nan 0.000 0.391 371 P HA -0.070 nan 4.420 nan 0.000 0.262 371 P C -0.979 176.317 177.300 -0.007 0.000 1.182 371 P CA 0.507 63.620 63.100 0.021 0.000 0.761 371 P CB 0.622 32.334 31.700 0.020 0.000 0.795 372 T N 2.570 117.116 114.554 -0.014 0.000 2.861 372 T HA 0.487 4.837 4.350 0.000 0.000 0.287 372 T C -0.649 173.996 174.700 -0.091 0.000 1.003 372 T CA -0.413 61.638 62.100 -0.081 0.000 0.977 372 T CB 1.080 69.906 68.868 -0.070 0.000 0.996 372 T HN -0.036 nan 8.240 nan 0.000 0.448 373 V N 3.634 123.441 119.914 -0.178 0.000 2.588 373 V HA 0.603 4.724 4.120 0.000 0.000 0.304 373 V C -1.152 174.806 176.094 -0.227 0.000 1.042 373 V CA -0.896 61.340 62.300 -0.107 0.000 0.877 373 V CB 1.536 33.329 31.823 -0.051 0.000 0.996 373 V HN 0.797 nan 8.190 nan 0.000 0.425 374 F N 2.497 122.470 119.950 0.038 0.000 2.469 374 F HA 0.838 5.365 4.527 0.000 0.000 0.332 374 F C 0.556 176.395 175.800 0.065 0.000 1.103 374 F CA -0.292 57.739 58.000 0.052 0.000 0.979 374 F CB 1.983 41.018 39.000 0.060 0.000 1.137 374 F HN 0.613 nan 8.300 nan 0.000 0.463 375 A N 1.123 124.109 122.820 0.276 0.000 2.309 375 A HA 0.656 4.976 4.320 0.000 0.000 0.317 375 A C -0.470 177.286 177.584 0.287 0.000 1.134 375 A CA -0.661 51.535 52.037 0.264 0.000 0.866 375 A CB 0.494 19.608 19.000 0.190 0.000 1.329 375 A HN 0.829 nan 8.150 nan 0.000 0.477 376 D N -1.027 119.568 120.400 0.324 0.000 2.772 376 D HA -0.126 4.514 4.640 0.000 0.000 0.233 376 D C -0.286 176.081 176.300 0.111 0.000 1.143 376 D CA 1.077 55.172 54.000 0.157 0.000 0.700 376 D CB -1.970 38.907 40.800 0.129 0.000 1.076 376 D HN 0.320 nan 8.370 nan 0.000 0.430 377 V N 0.585 120.580 119.914 0.133 0.000 2.546 377 V HA 0.198 4.319 4.120 0.000 0.000 0.284 377 V C 0.778 176.901 176.094 0.047 0.000 1.050 377 V CA -0.377 61.969 62.300 0.076 0.000 0.981 377 V CB 2.099 33.976 31.823 0.090 0.000 0.990 377 V HN 0.099 nan 8.190 nan 0.000 0.474 378 D N 3.096 123.507 120.400 0.020 0.000 2.168 378 D HA 0.135 4.775 4.640 0.000 0.000 0.246 378 D C 0.761 177.073 176.300 0.019 0.000 1.050 378 D CA -0.480 53.530 54.000 0.016 0.000 0.857 378 D CB 1.604 42.408 40.800 0.006 0.000 1.169 378 D HN 0.539 nan 8.370 nan 0.000 0.453 379 N N 2.531 121.247 118.700 0.027 0.000 2.443 379 N HA -0.113 4.627 4.740 0.000 0.000 0.184 379 N C 1.095 176.616 175.510 0.018 0.000 1.037 379 N CA 1.053 54.119 53.050 0.028 0.000 0.896 379 N CB 0.173 38.679 38.487 0.033 0.000 0.959 379 N HN 0.336 nan 8.380 nan 0.000 0.442 380 K N -0.521 119.887 120.400 0.012 0.000 2.459 380 K HA 0.062 4.382 4.320 0.000 0.000 0.193 380 K C 0.250 176.854 176.600 0.008 0.000 1.030 380 K CA 0.091 56.384 56.287 0.009 0.000 1.026 380 K CB 0.100 32.604 32.500 0.006 0.000 0.809 380 K HN 0.322 nan 8.250 nan 0.000 0.504 381 M N 0.592 120.193 119.600 0.002 0.000 2.250 381 M HA -0.054 4.426 4.480 0.000 0.000 0.325 381 M C 1.471 177.776 176.300 0.007 0.000 1.084 381 M CA 0.318 55.614 55.300 -0.008 0.000 1.161 381 M CB 0.623 33.201 32.600 -0.037 0.000 1.481 381 M HN -0.013 nan 8.290 nan 0.000 0.449 382 T N 2.432 116.999 114.554 0.023 0.000 2.665 382 T HA -0.170 4.180 4.350 0.000 0.000 0.268 382 T C 1.527 176.271 174.700 0.074 0.000 1.035 382 T CA 2.025 64.172 62.100 0.078 0.000 1.151 382 T CB -0.536 68.403 68.868 0.118 0.000 0.862 382 T HN 0.775 nan 8.240 nan 0.000 0.438 383 I N -0.330 120.248 120.570 0.013 0.000 2.756 383 I HA 0.137 4.308 4.170 0.000 0.000 0.262 383 I C 2.374 178.461 176.117 -0.049 0.000 1.225 383 I CA 1.045 62.317 61.300 -0.048 0.000 1.472 383 I CB -0.407 37.501 38.000 -0.153 0.000 1.094 383 I HN 0.116 nan 8.210 nan 0.000 0.454 384 A N 0.329 123.138 122.820 -0.018 0.000 2.044 384 A HA 0.083 4.404 4.320 0.000 0.000 0.213 384 A C 2.256 179.857 177.584 0.029 0.000 1.169 384 A CA 0.350 52.391 52.037 0.007 0.000 0.724 384 A CB -0.123 18.887 19.000 0.017 0.000 0.840 384 A HN 0.438 nan 8.150 nan 0.000 0.463 385 Q N 0.268 120.090 119.800 0.037 0.000 2.339 385 Q HA 0.115 4.455 4.340 0.000 0.000 0.205 385 Q C -0.181 175.885 176.000 0.111 0.000 0.925 385 Q CA 0.596 56.437 55.803 0.062 0.000 0.898 385 Q CB 0.348 29.113 28.738 0.044 0.000 1.013 385 Q HN 0.720 nan 8.270 nan 0.000 0.504 386 E N 1.240 121.486 120.200 0.077 0.000 2.191 386 E HA 0.204 4.555 4.350 0.000 0.000 0.274 386 E C -0.809 175.756 176.600 -0.058 0.000 0.948 386 E CA -0.356 56.099 56.400 0.093 0.000 0.802 386 E CB 1.594 31.379 29.700 0.142 0.000 1.137 386 E HN 0.043 nan 8.360 nan 0.000 0.397 387 E N 3.214 123.419 120.200 0.008 0.000 2.351 387 E HA -0.009 4.342 4.350 0.000 0.000 0.266 387 E C 0.241 176.716 176.600 -0.208 0.000 1.031 387 E CA 0.062 56.385 56.400 -0.128 0.000 0.911 387 E CB 0.469 30.047 29.700 -0.204 0.000 0.986 387 E HN 0.543 nan 8.360 nan 0.000 0.446 388 I N 4.417 124.839 120.570 -0.247 0.000 2.494 388 I HA -0.019 4.152 4.170 0.000 0.000 0.250 388 I C 0.660 176.855 176.117 0.131 0.000 1.112 388 I CA 0.124 61.242 61.300 -0.304 0.000 1.438 388 I CB 0.083 37.912 38.000 -0.285 0.000 1.111 388 I HN 0.754 nan 8.210 nan 0.000 0.431 389 F N 1.448 121.362 119.950 -0.060 0.000 3.071 389 F HA -0.206 4.321 4.527 0.000 0.000 0.295 389 F C 0.401 176.249 175.800 0.081 0.000 0.919 389 F CA 0.103 58.115 58.000 0.020 0.000 1.050 389 F CB -1.058 37.985 39.000 0.072 0.000 1.040 389 F HN 0.189 nan 8.300 nan 0.000 0.692 390 G N 0.114 108.936 108.800 0.038 0.000 2.708 390 G HA2 0.647 4.607 3.960 0.000 0.000 0.289 390 G HA3 0.647 4.607 3.960 0.000 0.000 0.289 390 G C -3.110 171.783 174.900 -0.012 0.000 1.416 390 G CA -0.933 44.182 45.100 0.025 0.000 0.829 390 G HN -0.143 nan 8.290 nan 0.000 0.480 391 P HA 0.319 nan 4.420 nan 0.000 0.231 391 P C -0.736 176.578 177.300 0.024 0.000 1.811 391 P CA -0.142 62.953 63.100 -0.009 0.000 1.051 391 P CB 0.533 32.235 31.700 0.004 0.000 1.951 392 V N 4.213 124.148 119.914 0.036 0.000 2.483 392 V HA 0.364 4.484 4.120 0.000 0.000 0.297 392 V C 0.250 176.395 176.094 0.086 0.000 1.027 392 V CA -0.618 61.736 62.300 0.090 0.000 0.855 392 V CB 2.292 34.206 31.823 0.152 0.000 0.995 392 V HN 0.237 nan 8.190 nan 0.000 0.424 393 L N 3.786 125.069 121.223 0.100 0.000 2.334 393 L HA 0.920 5.260 4.340 0.000 0.000 0.276 393 L C 0.147 177.112 176.870 0.158 0.000 1.014 393 L CA -0.733 54.159 54.840 0.086 0.000 0.815 393 L CB 2.040 44.124 42.059 0.043 0.000 1.268 393 L HN 0.699 nan 8.230 nan 0.000 0.428 394 A N 4.096 126.993 122.820 0.128 0.000 2.291 394 A HA 0.726 5.046 4.320 0.000 0.000 0.311 394 A C -0.642 177.020 177.584 0.131 0.000 1.224 394 A CA -0.408 51.724 52.037 0.158 0.000 0.821 394 A CB 0.529 19.591 19.000 0.104 0.000 1.172 394 A HN 0.657 nan 8.150 nan 0.000 0.494 395 I N 3.842 124.509 120.570 0.161 0.000 2.307 395 I HA 0.301 4.471 4.170 0.000 0.000 0.289 395 I C -0.674 175.610 176.117 0.279 0.000 1.021 395 I CA -0.076 61.324 61.300 0.166 0.000 1.224 395 I CB 0.928 38.972 38.000 0.074 0.000 1.376 395 I HN 0.489 nan 8.210 nan 0.000 0.470 396 I N 8.941 129.664 120.570 0.254 0.000 2.339 396 I HA 0.342 4.512 4.170 0.000 0.000 0.290 396 I C -2.115 174.164 176.117 0.270 0.000 0.994 396 I CA -2.005 59.428 61.300 0.221 0.000 1.191 396 I CB 1.594 39.684 38.000 0.151 0.000 1.343 396 I HN 0.295 nan 8.210 nan 0.000 0.458 397 P HA 0.173 nan 4.420 nan 0.000 0.277 397 P C -1.625 175.724 177.300 0.082 0.000 1.240 397 P CA -0.012 63.060 63.100 -0.047 0.000 0.798 397 P CB 0.808 32.154 31.700 -0.589 0.000 0.979 398 Y N -1.019 119.290 120.300 0.016 0.000 2.588 398 Y HA 0.512 5.062 4.550 0.001 0.000 0.343 398 Y C 0.444 176.352 175.900 0.013 0.000 1.065 398 Y CA -0.923 57.185 58.100 0.014 0.000 1.038 398 Y CB 0.522 39.006 38.460 0.040 0.000 1.297 398 Y HN 0.213 nan 8.280 nan 0.000 0.467 399 D N 0.990 121.493 120.400 0.171 0.000 2.278 399 D HA 0.020 4.660 4.640 0.000 0.000 0.228 399 D C 0.462 176.877 176.300 0.192 0.000 1.020 399 D CA 2.022 56.069 54.000 0.078 0.000 0.922 399 D CB -0.070 40.769 40.800 0.064 0.000 1.051 399 D HN 0.792 nan 8.370 nan 0.000 0.452 400 T N -2.205 112.511 114.554 0.271 0.000 2.948 400 T HA 0.365 4.715 4.350 0.000 0.000 0.285 400 T C 1.009 175.874 174.700 0.275 0.000 1.019 400 T CA -0.618 61.628 62.100 0.243 0.000 1.013 400 T CB 1.532 70.472 68.868 0.120 0.000 1.117 400 T HN 0.043 nan 8.240 nan 0.000 0.533 401 E N 0.330 120.640 120.200 0.184 0.000 2.130 401 E HA -0.200 4.150 4.350 0.000 0.000 0.196 401 E C 1.840 178.413 176.600 -0.045 0.000 0.998 401 E CA 1.552 57.977 56.400 0.042 0.000 0.806 401 E CB -0.061 29.672 29.700 0.055 0.000 0.738 401 E HN 0.702 nan 8.360 nan 0.000 0.459 402 E N 0.913 121.115 120.200 0.003 0.000 2.077 402 E HA -0.172 4.178 4.350 0.000 0.000 0.193 402 E C 1.663 178.245 176.600 -0.030 0.000 0.989 402 E CA 1.092 57.484 56.400 -0.014 0.000 0.800 402 E CB -0.148 29.556 29.700 0.006 0.000 0.746 402 E HN 0.239 nan 8.360 nan 0.000 0.452 403 D N 0.190 120.590 120.400 -0.000 0.000 2.117 403 D HA -0.129 4.511 4.640 0.000 0.000 0.197 403 D C 1.840 178.084 176.300 -0.092 0.000 0.987 403 D CA 1.469 55.472 54.000 0.006 0.000 0.829 403 D CB -0.244 40.619 40.800 0.104 0.000 0.961 403 D HN 0.215 nan 8.370 nan 0.000 0.460 404 A N 0.940 123.572 122.820 -0.313 0.000 1.902 404 A HA -0.136 4.185 4.320 0.000 0.000 0.217 404 A C 2.388 179.830 177.584 -0.237 0.000 1.181 404 A CA 0.834 52.551 52.037 -0.532 0.000 0.623 404 A CB -0.703 17.584 19.000 -1.189 0.000 0.818 404 A HN 0.164 nan 8.150 nan 0.000 0.443 405 I N -0.264 120.204 120.570 -0.170 0.000 2.179 405 I HA -0.299 3.871 4.170 0.000 0.000 0.242 405 I C 2.985 179.064 176.117 -0.064 0.000 1.088 405 I CA 1.120 62.363 61.300 -0.095 0.000 1.357 405 I CB -0.316 37.638 38.000 -0.077 0.000 1.051 405 I HN 0.365 nan 8.210 nan 0.000 0.409 406 A N 0.871 123.659 122.820 -0.054 0.000 1.902 406 A HA -0.178 4.142 4.320 0.000 0.000 0.217 406 A C 2.288 179.859 177.584 -0.022 0.000 1.181 406 A CA 1.536 53.554 52.037 -0.030 0.000 0.623 406 A CB -0.826 18.163 19.000 -0.018 0.000 0.818 406 A HN 0.381 nan 8.150 nan 0.000 0.443 407 I N -0.248 120.307 120.570 -0.025 0.000 2.179 407 I HA -0.281 3.890 4.170 0.000 0.000 0.242 407 I C 2.980 179.096 176.117 -0.000 0.000 1.088 407 I CA 1.044 62.341 61.300 -0.004 0.000 1.357 407 I CB -0.331 37.674 38.000 0.008 0.000 1.051 407 I HN 0.354 nan 8.210 nan 0.000 0.409 408 A N 0.790 123.603 122.820 -0.013 0.000 1.940 408 A HA -0.228 4.092 4.320 0.000 0.000 0.219 408 A C 2.015 179.602 177.584 0.005 0.000 1.176 408 A CA 2.028 54.070 52.037 0.008 0.000 0.631 408 A CB -0.622 18.387 19.000 0.014 0.000 0.814 408 A HN 0.429 nan 8.150 nan 0.000 0.446 409 N N 0.044 118.737 118.700 -0.011 0.000 2.446 409 N HA -0.056 4.684 4.740 0.000 0.000 0.179 409 N C 0.041 175.548 175.510 -0.006 0.000 1.054 409 N CA 0.690 53.731 53.050 -0.015 0.000 0.905 409 N CB -0.222 38.249 38.487 -0.026 0.000 0.973 409 N HN 0.445 nan 8.380 nan 0.000 0.448 410 D N 0.812 121.211 120.400 -0.001 0.000 2.600 410 D HA 0.096 4.736 4.640 0.000 0.000 0.226 410 D C -0.898 175.405 176.300 0.006 0.000 1.119 410 D CA 0.157 54.157 54.000 -0.000 0.000 1.051 410 D CB -0.306 40.495 40.800 0.002 0.000 1.106 410 D HN -0.109 nan 8.370 nan 0.000 0.491 411 S N 1.166 116.866 115.700 0.000 0.000 2.535 411 S HA 0.217 4.687 4.470 0.000 0.000 0.272 411 S C 0.665 175.234 174.600 -0.051 0.000 1.149 411 S CA -0.437 57.768 58.200 0.009 0.000 0.888 411 S CB 1.023 64.261 63.200 0.063 0.000 1.110 411 S HN 0.137 nan 8.310 nan 0.000 0.463 412 V N 2.029 121.843 119.914 -0.167 0.000 3.380 412 V HA 0.361 4.482 4.120 0.000 0.000 0.268 412 V C 0.044 175.920 176.094 -0.364 0.000 1.168 412 V CA 0.746 62.866 62.300 -0.299 0.000 1.156 412 V CB -1.491 30.064 31.823 -0.446 0.000 0.785 412 V HN 0.669 nan 8.190 nan 0.000 0.487 413 Y N 0.569 120.868 120.300 -0.002 0.000 2.545 413 Y HA 0.818 5.368 4.550 0.000 0.000 0.324 413 Y C 0.945 176.835 175.900 -0.016 0.000 1.220 413 Y CA -0.741 57.355 58.100 -0.007 0.000 1.290 413 Y CB 1.705 40.154 38.460 -0.017 0.000 1.355 413 Y HN 0.004 nan 8.280 nan 0.000 0.516 414 G N 0.716 109.619 108.800 0.173 0.000 4.494 414 G HA2 0.215 4.175 3.960 0.000 0.000 0.238 414 G HA3 0.215 4.175 3.960 0.000 0.000 0.238 414 G C -0.584 174.307 174.900 -0.016 0.000 3.102 414 G CA -0.249 44.870 45.100 0.031 0.000 0.616 414 G HN 0.526 nan 8.290 nan 0.000 0.237 415 L N 0.331 121.528 121.223 -0.043 0.000 2.269 415 L HA 0.853 5.194 4.340 0.000 0.000 0.200 415 L C 1.214 177.979 176.870 -0.176 0.000 1.069 415 L CA 1.994 56.750 54.840 -0.140 0.000 0.804 415 L CB 0.226 42.199 42.059 -0.144 0.000 0.987 415 L HN 0.546 nan 8.230 nan 0.000 0.468 416 A N -2.117 120.621 122.820 -0.137 0.000 3.005 416 A HA 0.871 5.191 4.320 0.000 0.000 0.282 416 A C -0.454 177.049 177.584 -0.136 0.000 1.218 416 A CA -0.132 51.820 52.037 -0.142 0.000 0.703 416 A CB 0.483 19.263 19.000 -0.366 0.000 1.387 416 A HN 0.562 nan 8.150 nan 0.000 0.592 417 G N -2.012 106.598 108.800 -0.318 0.000 2.353 417 G HA2 0.652 4.612 3.960 0.000 0.000 0.308 417 G HA3 0.652 4.612 3.960 0.000 0.000 0.308 417 G C -0.792 173.514 174.900 -0.990 0.000 1.418 417 G CA 0.544 45.388 45.100 -0.427 0.000 0.966 417 G HN 2.289 nan 8.290 nan 0.000 0.638 418 S N -2.141 113.023 115.700 -0.893 0.000 2.588 418 S HA 0.853 5.324 4.470 0.000 0.000 0.269 418 S C -1.459 172.924 174.600 -0.362 0.000 1.157 418 S CA -0.300 57.420 58.200 -0.799 0.000 0.824 418 S CB 1.888 64.937 63.200 -0.252 0.000 1.126 418 S HN 2.218 nan 8.310 nan 0.000 0.464 419 V N 1.136 120.827 119.914 -0.371 0.000 2.789 419 V HA 0.828 4.948 4.120 0.000 0.000 0.311 419 V C -2.266 173.596 176.094 -0.387 0.000 1.073 419 V CA -0.615 61.637 62.300 -0.079 0.000 0.921 419 V CB 1.718 33.640 31.823 0.164 0.000 1.009 419 V HN 0.966 nan 8.190 nan 0.000 0.426 420 W N 4.065 125.421 121.300 0.092 0.000 2.554 420 W HA 0.773 5.434 4.660 0.001 0.000 0.324 420 W C -0.097 176.465 176.519 0.072 0.000 1.018 420 W CA -0.381 57.010 57.345 0.076 0.000 1.243 420 W CB 1.960 31.455 29.460 0.057 0.000 1.345 420 W HN 0.725 nan 8.180 nan 0.000 0.441 421 T N -0.095 114.582 114.554 0.205 0.000 2.893 421 T HA 0.238 4.588 4.350 0.000 0.000 0.337 421 T C 0.652 175.407 174.700 0.092 0.000 1.587 421 T CA -0.103 62.081 62.100 0.139 0.000 1.066 421 T CB 1.061 69.993 68.868 0.107 0.000 1.414 421 T HN 0.385 nan 8.240 nan 0.000 0.488 422 T N -0.465 114.134 114.554 0.075 0.000 3.129 422 T HA 0.212 4.562 4.350 0.000 0.000 0.251 422 T C 0.358 175.078 174.700 0.034 0.000 1.117 422 T CA 0.199 62.328 62.100 0.048 0.000 1.034 422 T CB -0.059 68.834 68.868 0.042 0.000 0.968 422 T HN 0.472 nan 8.240 nan 0.000 0.526 423 D N 1.376 121.800 120.400 0.040 0.000 2.493 423 D HA 0.303 4.943 4.640 0.000 0.000 0.235 423 D C 1.166 177.481 176.300 0.025 0.000 1.117 423 D CA -0.542 53.476 54.000 0.030 0.000 0.930 423 D CB 1.111 41.932 40.800 0.035 0.000 1.010 423 D HN -0.042 nan 8.370 nan 0.000 0.514 424 V N 4.964 124.887 119.914 0.015 0.000 2.295 424 V HA -0.134 3.986 4.120 0.000 0.000 0.246 424 V C -0.721 175.380 176.094 0.012 0.000 1.049 424 V CA 1.447 63.753 62.300 0.010 0.000 1.024 424 V CB -1.137 30.686 31.823 0.000 0.000 0.648 424 V HN 0.465 nan 8.190 nan 0.000 0.447 425 P HA -0.231 nan 4.420 nan 0.000 0.216 425 P C 1.718 179.023 177.300 0.008 0.000 1.157 425 P CA 1.740 64.845 63.100 0.008 0.000 0.880 425 P CB -0.064 31.640 31.700 0.007 0.000 0.791 426 K N -0.431 119.978 120.400 0.015 0.000 2.097 426 K HA -0.107 4.213 4.320 0.000 0.000 0.206 426 K C 2.215 178.826 176.600 0.018 0.000 1.049 426 K CA 1.819 58.116 56.287 0.018 0.000 0.933 426 K CB -1.080 31.437 32.500 0.029 0.000 0.717 426 K HN 0.068 nan 8.250 nan 0.000 0.442 427 G N 1.527 110.343 108.800 0.026 0.000 2.440 427 G HA2 -0.241 3.720 3.960 0.000 0.000 0.218 427 G HA3 -0.241 3.720 3.960 0.000 0.000 0.218 427 G C 1.501 176.412 174.900 0.018 0.000 1.154 427 G CA 1.077 46.197 45.100 0.035 0.000 0.767 427 G HN 0.294 nan 8.290 nan 0.000 0.552 428 I N 0.259 120.833 120.570 0.006 0.000 2.179 428 I HA -0.149 4.022 4.170 0.000 0.000 0.242 428 I C 2.763 178.855 176.117 -0.042 0.000 1.088 428 I CA 0.998 62.291 61.300 -0.012 0.000 1.357 428 I CB -0.116 37.882 38.000 -0.004 0.000 1.051 428 I HN 0.006 nan 8.210 nan 0.000 0.409 429 K N 0.675 121.056 120.400 -0.031 0.000 2.063 429 K HA -0.139 4.182 4.320 0.000 0.000 0.208 429 K C 2.045 178.603 176.600 -0.070 0.000 1.048 429 K CA 1.401 57.663 56.287 -0.041 0.000 0.928 429 K CB -0.465 32.022 32.500 -0.022 0.000 0.713 429 K HN 0.288 nan 8.250 nan 0.000 0.442 430 I N 1.666 122.199 120.570 -0.061 0.000 2.208 430 I HA -0.246 3.924 4.170 0.000 0.000 0.245 430 I C 2.524 178.507 176.117 -0.223 0.000 1.097 430 I CA 1.611 62.858 61.300 -0.088 0.000 1.363 430 I CB -1.551 36.438 38.000 -0.017 0.000 1.051 430 I HN 0.171 nan 8.210 nan 0.000 0.413 431 S N 0.775 116.300 115.700 -0.292 0.000 2.400 431 S HA -0.240 4.230 4.470 0.000 0.000 0.232 431 S C 1.808 176.136 174.600 -0.454 0.000 1.025 431 S CA 1.033 58.848 58.200 -0.641 0.000 0.993 431 S CB -0.585 62.372 63.200 -0.406 0.000 0.808 431 S HN 0.556 nan 8.310 nan 0.000 0.478 432 Q N 0.565 120.220 119.800 -0.243 0.000 2.291 432 Q HA -0.007 4.333 4.340 0.000 0.000 0.205 432 Q C 2.071 177.978 176.000 -0.154 0.000 0.970 432 Q CA 1.249 56.956 55.803 -0.160 0.000 0.876 432 Q CB -0.173 28.509 28.738 -0.093 0.000 0.935 432 Q HN 0.752 nan 8.270 nan 0.000 0.455 433 Q N -0.374 119.320 119.800 -0.176 0.000 2.356 433 Q HA 0.106 4.446 4.340 0.000 0.000 0.205 433 Q C -0.226 175.683 176.000 -0.153 0.000 0.901 433 Q CA -0.091 55.635 55.803 -0.130 0.000 0.938 433 Q CB 0.872 29.551 28.738 -0.098 0.000 1.081 433 Q HN 0.198 nan 8.270 nan 0.000 0.517 434 I N 1.699 122.123 120.570 -0.244 0.000 2.342 434 I HA 0.153 4.323 4.170 0.000 0.000 0.291 434 I C 0.296 176.233 176.117 -0.300 0.000 1.010 434 I CA -0.431 60.731 61.300 -0.231 0.000 1.308 434 I CB 0.995 38.850 38.000 -0.242 0.000 1.400 434 I HN -0.035 nan 8.210 nan 0.000 0.488 435 R N 3.993 124.334 120.500 -0.264 0.000 3.268 435 R HA 0.294 4.634 4.340 0.000 0.000 0.217 435 R C -0.023 175.776 176.300 -0.836 0.000 1.568 435 R CA -0.056 55.779 56.100 -0.442 0.000 1.322 435 R CB -0.145 30.115 30.300 -0.066 0.000 1.280 435 R HN 0.636 nan 8.270 nan 0.000 0.667 436 T N -1.676 112.169 114.554 -1.181 0.000 2.889 436 T HA 0.382 4.733 4.350 0.000 0.000 0.315 436 T C 1.085 175.402 174.700 -0.638 0.000 1.291 436 T CA -0.225 61.418 62.100 -0.762 0.000 1.028 436 T CB 1.613 70.344 68.868 -0.228 0.000 1.235 436 T HN 0.436 nan 8.240 nan 0.000 0.491 437 G N 1.576 110.253 108.800 -0.205 0.000 2.448 437 G HA2 0.256 4.216 3.960 0.000 0.000 0.218 437 G HA3 0.256 4.216 3.960 0.000 0.000 0.218 437 G C 0.631 175.509 174.900 -0.035 0.000 1.135 437 G CA 1.183 46.292 45.100 0.016 0.000 0.784 437 G HN 1.079 nan 8.290 nan 0.000 0.543 438 T N -4.375 110.163 114.554 -0.028 0.000 2.883 438 T HA 0.669 5.020 4.350 0.000 0.000 0.301 438 T C -1.519 173.353 174.700 0.287 0.000 1.158 438 T CA -0.956 61.203 62.100 0.099 0.000 1.007 438 T CB 2.768 71.696 68.868 0.099 0.000 1.186 438 T HN 0.082 nan 8.240 nan 0.000 0.499 439 Y N -1.048 119.333 120.300 0.135 0.000 2.656 439 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 439 Y C -0.294 175.670 175.900 0.107 0.000 1.179 439 Y CA -0.573 57.606 58.100 0.132 0.000 1.050 439 Y CB 2.453 40.921 38.460 0.014 0.000 1.308 439 Y HN 1.257 nan 8.280 nan 0.000 0.456 440 G N 2.778 111.541 108.800 -0.062 0.000 2.638 440 G HA2 0.626 4.587 3.960 0.000 0.000 0.302 440 G HA3 0.626 4.587 3.960 0.000 0.000 0.302 440 G C -1.966 172.840 174.900 -0.157 0.000 1.365 440 G CA -0.707 44.328 45.100 -0.109 0.000 0.987 440 G HN 0.534 nan 8.290 nan 0.000 0.495 441 I N 2.065 122.610 120.570 -0.041 0.000 2.355 441 I HA 0.229 4.399 4.170 0.000 0.000 0.288 441 I C 0.115 176.136 176.117 -0.160 0.000 0.999 441 I CA -0.750 60.480 61.300 -0.117 0.000 1.163 441 I CB 1.592 39.596 38.000 0.006 0.000 1.316 441 I HN 0.522 nan 8.210 nan 0.000 0.454 442 N N 4.475 122.831 118.700 -0.573 0.000 2.828 442 N HA -0.177 4.563 4.740 0.000 0.000 0.248 442 N C -1.038 174.309 175.510 -0.273 0.000 1.044 442 N CA 1.554 54.309 53.050 -0.492 0.000 0.851 442 N CB -0.698 37.708 38.487 -0.135 0.000 1.136 442 N HN 0.829 nan 8.380 nan 0.000 0.572 443 W N -1.670 119.208 121.300 -0.703 0.000 2.929 443 W HA 0.578 5.239 4.660 0.000 0.000 0.363 443 W C -1.760 174.675 176.519 -0.140 0.000 1.168 443 W CA -1.400 55.816 57.345 -0.214 0.000 1.163 443 W CB -0.133 29.325 29.460 -0.005 0.000 1.455 443 W HN -0.074 nan 8.180 nan 0.000 0.568 444 Y N 1.775 122.064 120.300 -0.020 0.000 2.361 444 Y HA 0.745 5.295 4.550 0.000 0.000 0.337 444 Y C -0.415 175.250 175.900 -0.391 0.000 0.965 444 Y CA -0.093 57.868 58.100 -0.231 0.000 1.091 444 Y CB 1.277 39.712 38.460 -0.041 0.000 1.182 444 Y HN 0.962 nan 8.280 nan 0.000 0.450 445 A N 4.732 126.695 122.820 -1.429 0.000 2.536 445 A HA 0.783 5.103 4.320 0.000 0.000 0.293 445 A C -2.202 174.789 177.584 -0.989 0.000 1.119 445 A CA -0.582 50.772 52.037 -1.139 0.000 0.654 445 A CB 0.956 19.297 19.000 -1.098 0.000 1.291 445 A HN 0.957 nan 8.150 nan 0.000 0.439 446 F N -0.641 118.950 119.950 -0.600 0.000 2.596 446 F HA 0.710 5.237 4.527 0.000 0.000 0.311 446 F C -0.925 174.716 175.800 -0.264 0.000 1.116 446 F CA -0.798 56.983 58.000 -0.364 0.000 0.957 446 F CB 1.149 40.071 39.000 -0.130 0.000 1.250 446 F HN 0.528 nan 8.300 nan 0.000 0.444 447 D N 4.322 124.691 120.400 -0.051 0.000 2.302 447 D HA 0.357 4.998 4.640 0.000 0.000 0.248 447 D C -1.438 174.830 176.300 -0.054 0.000 1.094 447 D CA -2.053 51.889 54.000 -0.097 0.000 0.897 447 D CB 1.539 42.288 40.800 -0.085 0.000 1.200 447 D HN 0.348 nan 8.370 nan 0.000 0.429 448 P HA -0.014 nan 4.420 nan 0.000 0.225 448 P C 0.956 177.771 177.300 -0.808 0.000 1.148 448 P CA 0.554 63.458 63.100 -0.326 0.000 0.779 448 P CB 0.237 31.752 31.700 -0.309 0.000 0.780 449 G N -0.782 107.608 108.800 -0.683 0.000 2.985 449 G HA2 0.032 3.993 3.960 0.000 0.000 0.209 449 G HA3 0.032 3.993 3.960 0.000 0.000 0.209 449 G C 0.426 175.170 174.900 -0.260 0.000 1.165 449 G CA 0.070 44.750 45.100 -0.699 0.000 0.776 449 G HN 0.233 nan 8.290 nan 0.000 0.541 450 S N 1.310 116.919 115.700 -0.153 0.000 2.608 450 S HA 0.539 5.009 4.470 0.000 0.000 0.291 450 S C -2.546 172.057 174.600 0.004 0.000 1.146 450 S CA -1.056 57.125 58.200 -0.032 0.000 1.043 450 S CB 2.288 65.497 63.200 0.016 0.000 1.037 450 S HN 0.044 nan 8.310 nan 0.000 0.520 451 P HA 0.244 nan 4.420 nan 0.000 0.271 451 P C -1.150 176.195 177.300 0.075 0.000 1.216 451 P CA -0.126 62.999 63.100 0.042 0.000 0.776 451 P CB 0.211 31.928 31.700 0.029 0.000 0.881 452 F N 2.340 122.224 119.950 -0.110 0.000 2.539 452 F HA 0.675 5.203 4.527 0.000 0.000 0.318 452 F C -0.076 175.644 175.800 -0.133 0.000 1.135 452 F CA 0.320 58.224 58.000 -0.160 0.000 0.915 452 F CB 1.920 40.748 39.000 -0.287 0.000 1.176 452 F HN 0.663 nan 8.300 nan 0.000 0.440 453 G N 2.572 110.954 108.800 -0.697 0.000 2.317 453 G HA2 0.449 4.409 3.960 0.000 0.000 0.293 453 G HA3 0.449 4.409 3.960 0.000 0.000 0.293 453 G C -1.530 173.177 174.900 -0.321 0.000 1.287 453 G CA -0.225 44.608 45.100 -0.445 0.000 0.850 453 G HN 1.014 nan 8.290 nan 0.000 0.515 454 G N -1.548 107.174 108.800 -0.130 0.000 2.454 454 G HA2 0.645 4.605 3.960 0.000 0.000 0.329 454 G HA3 0.645 4.605 3.960 0.000 0.000 0.329 454 G C -1.363 173.627 174.900 0.150 0.000 1.177 454 G CA -0.552 44.548 45.100 0.000 0.000 0.951 454 G HN 0.452 nan 8.290 nan 0.000 0.485 455 Y N 0.471 120.738 120.300 -0.055 0.000 2.458 455 Y HA 0.448 4.999 4.550 0.000 0.000 0.322 455 Y C 1.451 177.341 175.900 -0.017 0.000 1.259 455 Y CA -0.683 57.397 58.100 -0.034 0.000 1.302 455 Y CB 1.173 39.615 38.460 -0.029 0.000 1.314 455 Y HN 0.818 nan 8.280 nan 0.000 0.509 456 K N -0.531 119.945 120.400 0.127 0.000 1.867 456 K HA -0.353 3.968 4.320 0.000 0.000 0.140 456 K C 0.484 177.102 176.600 0.029 0.000 1.408 456 K CA 1.565 57.884 56.287 0.053 0.000 0.461 456 K CB -1.007 31.521 32.500 0.046 0.000 0.594 456 K HN 0.636 nan 8.250 nan 0.000 0.888 457 N N 0.631 119.324 118.700 -0.012 0.000 2.521 457 N HA 0.030 4.771 4.740 0.000 0.000 0.188 457 N C 0.824 176.429 175.510 0.158 0.000 1.146 457 N CA 0.781 53.826 53.050 -0.007 0.000 0.893 457 N CB 0.106 38.466 38.487 -0.212 0.000 0.975 457 N HN 0.274 nan 8.380 nan 0.000 0.451 458 S N -0.781 115.035 115.700 0.193 0.000 2.562 458 S HA 0.337 4.807 4.470 0.000 0.000 0.221 458 S C 0.927 175.580 174.600 0.089 0.000 0.975 458 S CA 0.359 58.673 58.200 0.189 0.000 0.918 458 S CB 0.259 63.542 63.200 0.137 0.000 0.772 458 S HN 0.565 nan 8.310 nan 0.000 0.531 459 G N 0.438 109.281 108.800 0.072 0.000 2.368 459 G HA2 0.279 4.239 3.960 0.000 0.000 0.302 459 G HA3 0.279 4.239 3.960 0.000 0.000 0.302 459 G C -1.974 172.937 174.900 0.019 0.000 1.329 459 G CA -1.051 44.078 45.100 0.048 0.000 0.935 459 G HN 0.148 nan 8.290 nan 0.000 0.590 460 I N 1.056 121.634 120.570 0.013 0.000 2.534 460 I HA 0.631 4.801 4.170 0.000 0.000 0.288 460 I C 0.605 176.720 176.117 -0.003 0.000 1.077 460 I CA 0.329 61.628 61.300 -0.001 0.000 1.051 460 I CB 1.634 39.639 38.000 0.008 0.000 1.234 460 I HN 2.071 nan 8.210 nan 0.000 0.425 461 G N 5.244 114.040 108.800 -0.005 0.000 2.710 461 G HA2 -0.067 3.893 3.960 0.000 0.000 0.668 461 G HA3 -0.067 3.893 3.960 0.000 0.000 0.668 461 G C -1.278 173.513 174.900 -0.180 0.000 1.320 461 G CA -0.971 44.124 45.100 -0.008 0.000 0.860 461 G HN 0.528 nan 8.290 nan 0.000 0.538 462 R N 0.334 120.528 120.500 -0.510 0.000 2.621 462 R HA 0.546 4.887 4.340 0.000 0.000 0.284 462 R C -0.070 175.961 176.300 -0.449 0.000 0.998 462 R CA -0.672 55.214 56.100 -0.357 0.000 0.895 462 R CB 1.849 32.044 30.300 -0.174 0.000 1.195 462 R HN 0.780 nan 8.270 nan 0.000 0.450 463 E N 1.407 121.525 120.200 -0.138 0.000 2.259 463 E HA 0.405 4.756 4.350 0.000 0.000 0.257 463 E C -0.518 176.123 176.600 0.068 0.000 0.998 463 E CA -0.972 55.402 56.400 -0.044 0.000 0.866 463 E CB 0.889 30.602 29.700 0.022 0.000 1.220 463 E HN 0.399 nan 8.360 nan 0.000 0.415 464 N N -0.631 118.173 118.700 0.173 0.000 5.971 464 N HA -0.174 4.567 4.740 0.000 0.000 0.390 464 N C 0.077 175.634 175.510 0.079 0.000 1.130 464 N CA 1.183 54.319 53.050 0.143 0.000 2.259 464 N CB -1.007 37.483 38.487 0.005 0.000 0.654 464 N HN 0.938 nan 8.380 nan 0.000 0.614 465 G N -0.369 108.327 108.800 -0.172 0.000 2.749 465 G HA2 -0.202 3.758 3.960 0.000 0.000 0.242 465 G HA3 -0.202 3.758 3.960 0.000 0.000 0.242 465 G C -1.721 173.365 174.900 0.310 0.000 1.364 465 G CA 0.160 45.238 45.100 -0.036 0.000 0.888 465 G HN 0.567 nan 8.290 nan 0.000 0.566 466 P HA 0.040 nan 4.420 nan 0.000 0.220 466 P C 1.573 178.976 177.300 0.171 0.000 1.148 466 P CA 1.699 64.927 63.100 0.213 0.000 0.803 466 P CB -0.014 31.746 31.700 0.101 0.000 0.782 467 E N -0.361 119.932 120.200 0.154 0.000 2.097 467 E HA -0.151 4.200 4.350 0.000 0.000 0.196 467 E C 2.302 179.036 176.600 0.223 0.000 1.000 467 E CA 1.737 58.246 56.400 0.181 0.000 0.804 467 E CB -1.432 28.352 29.700 0.140 0.000 0.740 467 E HN 0.228 nan 8.360 nan 0.000 0.454 468 G N 0.077 108.981 108.800 0.173 0.000 2.432 468 G HA2 -0.228 3.733 3.960 0.000 0.000 0.219 468 G HA3 -0.228 3.733 3.960 0.000 0.000 0.219 468 G C 1.660 176.661 174.900 0.168 0.000 1.135 468 G CA 1.007 46.182 45.100 0.124 0.000 0.767 468 G HN 0.193 nan 8.290 nan 0.000 0.550 469 V N 0.468 120.544 119.914 0.269 0.000 2.346 469 V HA -0.082 4.038 4.120 0.000 0.000 0.244 469 V C 2.548 178.753 176.094 0.186 0.000 1.037 469 V CA 1.869 64.330 62.300 0.268 0.000 1.029 469 V CB -0.530 31.448 31.823 0.258 0.000 0.663 469 V HN 0.415 nan 8.190 nan 0.000 0.454 470 E N -0.364 119.892 120.200 0.093 0.000 2.160 470 E HA -0.257 4.093 4.350 0.000 0.000 0.195 470 E C 2.079 178.665 176.600 -0.023 0.000 0.991 470 E CA 1.506 57.907 56.400 0.001 0.000 0.810 470 E CB -0.219 29.456 29.700 -0.041 0.000 0.742 470 E HN 0.694 nan 8.360 nan 0.000 0.466 471 H N -1.172 117.808 119.070 -0.150 0.000 2.521 471 H HA -0.043 4.513 4.556 0.000 0.000 0.286 471 H C 0.682 175.809 175.328 -0.337 0.000 1.034 471 H CA 0.885 56.765 56.048 -0.281 0.000 1.278 471 H CB 0.017 29.531 29.762 -0.413 0.000 1.386 471 H HN 0.141 nan 8.280 nan 0.000 0.567 472 F N 0.263 120.273 119.950 0.101 0.000 2.645 472 F HA 0.134 4.661 4.527 0.000 0.000 0.300 472 F C 0.718 176.549 175.800 0.051 0.000 1.115 472 F CA -0.279 57.754 58.000 0.054 0.000 1.355 472 F CB 0.377 39.404 39.000 0.045 0.000 1.026 472 F HN -0.014 nan 8.300 nan 0.000 0.536 473 T N -2.750 111.893 114.554 0.149 0.000 2.907 473 T HA 0.451 4.801 4.350 0.000 0.000 0.292 473 T C -0.637 174.090 174.700 0.045 0.000 1.043 473 T CA -0.945 61.227 62.100 0.121 0.000 1.003 473 T CB 2.274 71.216 68.868 0.122 0.000 1.084 473 T HN -0.181 nan 8.240 nan 0.000 0.483 474 Q N 1.490 121.323 119.800 0.054 0.000 2.230 474 Q HA 0.364 4.704 4.340 0.000 0.000 0.253 474 Q C -0.359 175.655 176.000 0.022 0.000 0.919 474 Q CA -0.536 55.280 55.803 0.022 0.000 0.908 474 Q CB 2.159 30.915 28.738 0.031 0.000 1.245 474 Q HN 0.697 nan 8.270 nan 0.000 0.437 475 Q N 1.185 120.983 119.800 -0.003 0.000 2.259 475 Q HA 0.355 4.695 4.340 0.000 0.000 0.246 475 Q C -0.496 175.508 176.000 0.006 0.000 0.920 475 Q CA -0.106 55.696 55.803 -0.001 0.000 0.895 475 Q CB 1.484 30.209 28.738 -0.022 0.000 1.220 475 Q HN 0.291 nan 8.270 nan 0.000 0.439 476 K N 0.826 121.234 120.400 0.014 0.000 2.482 476 K HA 0.385 4.705 4.320 0.000 0.000 0.251 476 K C -1.600 175.005 176.600 0.008 0.000 0.936 476 K CA -0.399 55.895 56.287 0.012 0.000 0.791 476 K CB 1.978 34.492 32.500 0.022 0.000 1.213 476 K HN 0.498 nan 8.250 nan 0.000 0.428 477 S N 3.333 119.033 115.700 0.000 0.000 2.498 477 S HA 0.447 4.917 4.470 0.000 0.000 0.317 477 S C -1.276 173.322 174.600 -0.003 0.000 1.090 477 S CA -0.572 57.627 58.200 -0.001 0.000 1.089 477 S CB 1.085 64.279 63.200 -0.009 0.000 0.997 477 S HN 0.352 nan 8.310 nan 0.000 0.470 478 V N 6.278 126.194 119.914 0.004 0.000 2.357 478 V HA 0.449 4.569 4.120 0.000 0.000 0.284 478 V C -0.264 175.835 176.094 0.008 0.000 1.018 478 V CA -0.814 61.487 62.300 0.001 0.000 0.841 478 V CB 1.184 33.010 31.823 0.004 0.000 0.991 478 V HN 0.825 nan 8.190 nan 0.000 0.437 479 L N 6.906 128.129 121.223 0.000 0.000 2.281 479 L HA 0.482 4.823 4.340 0.000 0.000 0.285 479 L C -0.161 176.719 176.870 0.017 0.000 1.074 479 L CA 0.520 55.369 54.840 0.015 0.000 0.817 479 L CB 0.552 42.613 42.059 0.003 0.000 1.168 479 L HN 0.491 nan 8.230 nan 0.000 0.434 480 L N 6.078 127.328 121.223 0.045 0.000 2.456 480 L HA 0.431 4.772 4.340 0.000 0.000 0.257 480 L C -1.758 175.136 176.870 0.039 0.000 1.162 480 L CA -1.919 52.943 54.840 0.036 0.000 0.808 480 L CB 0.019 42.167 42.059 0.148 0.000 1.136 480 L HN 0.537 nan 8.230 nan 0.000 0.466 481 P HA -0.014 nan 4.420 nan 0.000 0.269 481 P C -0.232 177.127 177.300 0.098 0.000 1.215 481 P CA -0.286 62.821 63.100 0.013 0.000 0.780 481 P CB 0.373 32.036 31.700 -0.062 0.000 0.898 482 M N 2.268 121.917 119.600 0.081 0.000 2.248 482 M HA 0.071 4.551 4.480 0.000 0.000 0.343 482 M C 1.285 177.644 176.300 0.098 0.000 1.243 482 M CA 1.800 57.150 55.300 0.084 0.000 1.025 482 M CB -1.025 31.610 32.600 0.059 0.000 1.759 482 M HN 0.819 nan 8.290 nan 0.000 0.452 483 G N 4.513 113.366 108.800 0.087 0.000 2.184 483 G HA2 -0.325 3.636 3.960 0.000 0.000 0.264 483 G HA3 -0.325 3.636 3.960 0.000 0.000 0.264 483 G C -0.371 174.588 174.900 0.099 0.000 0.975 483 G CA 0.524 45.668 45.100 0.073 0.000 0.642 483 G HN 0.808 nan 8.290 nan 0.000 0.536 484 Y N 2.385 122.692 120.300 0.012 0.000 2.328 484 Y HA 0.565 5.115 4.550 0.000 0.000 0.337 484 Y C 0.652 176.559 175.900 0.012 0.000 1.008 484 Y CA 0.249 58.355 58.100 0.011 0.000 1.129 484 Y CB 1.534 40.001 38.460 0.012 0.000 1.185 484 Y HN 0.397 nan 8.280 nan 0.000 0.476 485 T N 3.397 117.744 114.554 -0.345 0.000 2.906 485 T HA 0.643 4.993 4.350 0.000 0.000 0.295 485 T C -1.151 173.367 174.700 -0.302 0.000 1.061 485 T CA -0.842 61.153 62.100 -0.176 0.000 1.000 485 T CB 1.307 70.115 68.868 -0.101 0.000 1.103 485 T HN 0.602 nan 8.240 nan 0.000 0.486 486 V N 0.000 119.864 119.914 -0.083 0.000 2.409 486 V HA 0.000 4.120 4.120 0.000 0.000 0.244 486 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 486 V CB 0.000 31.865 31.823 0.070 0.000 1.184 486 V HN 0.000 nan 8.190 nan 0.000 0.556