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 1ya8_1_A DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.646 174.600 0.077 0.000 1.055 21 S CA 0.000 58.202 58.200 0.004 0.000 1.107 21 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 22 S N 2.190 117.984 115.700 0.157 0.000 2.541 22 S HA 0.800 5.271 4.470 0.000 0.000 0.280 22 S C -3.180 171.602 174.600 0.302 0.000 1.112 22 S CA -1.311 56.999 58.200 0.183 0.000 0.925 22 S CB 1.217 64.493 63.200 0.127 0.000 1.067 22 S HN 0.413 nan 8.310 nan 0.000 0.479 23 P HA 0.206 nan 4.420 nan 0.000 0.265 23 P C -2.631 174.629 177.300 -0.067 0.000 1.187 23 P CA -0.636 62.467 63.100 0.004 0.000 0.766 23 P CB -0.310 31.377 31.700 -0.023 0.000 0.820 24 P HA 0.092 nan 4.420 nan 0.000 0.271 24 P C -0.893 176.437 177.300 0.050 0.000 1.216 24 P CA 0.320 63.302 63.100 -0.197 0.000 0.771 24 P CB 0.500 31.919 31.700 -0.468 0.000 0.864 25 V N 4.922 124.897 119.914 0.102 0.000 2.409 25 V HA 0.256 4.376 4.120 0.000 0.000 0.290 25 V C -0.021 176.099 176.094 0.044 0.000 1.017 25 V CA -0.592 61.778 62.300 0.117 0.000 0.841 25 V CB 2.091 33.968 31.823 0.091 0.000 1.003 25 V HN 0.217 nan 8.190 nan 0.000 0.426 26 V N 3.712 123.608 119.914 -0.029 0.000 2.547 26 V HA 0.442 4.562 4.120 0.000 0.000 0.299 26 V C -0.127 175.873 176.094 -0.156 0.000 1.040 26 V CA -0.561 61.585 62.300 -0.257 0.000 0.913 26 V CB 2.086 33.411 31.823 -0.830 0.000 0.992 26 V HN 0.896 nan 8.190 nan 0.000 0.449 27 D N 3.115 123.422 120.400 -0.155 0.000 2.317 27 D HA 0.320 4.960 4.640 0.000 0.000 0.234 27 D C 0.114 176.340 176.300 -0.123 0.000 1.112 27 D CA -0.103 53.847 54.000 -0.084 0.000 0.840 27 D CB 1.794 42.553 40.800 -0.069 0.000 1.078 27 D HN 0.748 nan 8.370 nan 0.000 0.486 28 T N -0.258 114.265 114.554 -0.051 0.000 2.892 28 T HA 0.229 4.579 4.350 0.000 0.000 0.280 28 T C 1.588 176.191 174.700 -0.160 0.000 1.004 28 T CA -0.531 61.530 62.100 -0.065 0.000 0.950 28 T CB 0.848 69.819 68.868 0.171 0.000 1.309 28 T HN 0.082 nan 8.240 nan 0.000 0.592 29 V N 0.972 120.731 119.914 -0.258 0.000 2.379 29 V HA -0.069 4.051 4.120 0.000 0.000 0.245 29 V C 2.436 178.369 176.094 -0.269 0.000 1.044 29 V CA 1.491 63.617 62.300 -0.290 0.000 1.036 29 V CB -1.145 30.440 31.823 -0.397 0.000 0.664 29 V HN 0.830 nan 8.190 nan 0.000 0.453 30 H N 0.213 119.067 119.070 -0.360 0.000 2.547 30 H HA 0.458 5.014 4.556 0.000 0.000 0.266 30 H C 1.015 175.519 175.328 -1.373 0.000 0.988 30 H CA 0.634 56.242 56.048 -0.734 0.000 1.147 30 H CB 0.046 29.347 29.762 -0.767 0.000 1.365 30 H HN 0.528 nan 8.280 nan 0.000 0.589 31 G N -0.033 108.284 108.800 -0.805 0.000 2.351 31 G HA2 -0.033 3.928 3.960 0.000 0.000 0.353 31 G HA3 -0.033 3.928 3.960 0.000 0.000 0.353 31 G C -1.243 173.677 174.900 0.033 0.000 1.358 31 G CA -1.173 43.498 45.100 -0.714 0.000 0.995 31 G HN 0.059 nan 8.290 nan 0.000 0.611 32 K N -0.340 120.231 120.400 0.285 0.000 2.270 32 K HA 0.546 4.866 4.320 0.000 0.000 0.276 32 K C 0.420 177.323 176.600 0.504 0.000 1.023 32 K CA -0.397 56.088 56.287 0.329 0.000 0.955 32 K CB 1.704 34.330 32.500 0.211 0.000 0.975 32 K HN 0.959 nan 8.250 nan 0.000 0.471 33 V N 0.651 120.767 119.914 0.337 0.000 2.680 33 V HA 0.484 4.604 4.120 0.000 0.000 0.309 33 V C -0.763 175.498 176.094 0.279 0.000 1.052 33 V CA -1.179 61.304 62.300 0.305 0.000 0.908 33 V CB 1.758 33.784 31.823 0.338 0.000 1.001 33 V HN 0.563 nan 8.190 nan 0.000 0.431 34 L N 4.115 125.485 121.223 0.245 0.000 2.305 34 L HA 0.894 5.234 4.340 0.000 0.000 0.284 34 L C 0.306 177.273 176.870 0.161 0.000 1.013 34 L CA 0.596 55.548 54.840 0.186 0.000 0.819 34 L CB 0.882 42.993 42.059 0.086 0.000 1.227 34 L HN 1.032 nan 8.230 nan 0.000 0.417 35 G N 4.911 113.719 108.800 0.013 0.000 2.990 35 G HA2 0.619 4.579 3.960 0.000 0.000 0.208 35 G HA3 0.619 4.579 3.960 0.000 0.000 0.208 35 G C -1.169 173.449 174.900 -0.469 0.000 1.334 35 G CA -0.521 44.294 45.100 -0.475 0.000 1.024 35 G HN 0.731 nan 8.290 nan 0.000 0.574 36 K N -1.247 118.788 120.400 -0.609 0.000 2.527 36 K HA 0.581 4.901 4.320 0.000 0.000 0.260 36 K C -1.758 174.594 176.600 -0.412 0.000 0.937 36 K CA -0.814 55.232 56.287 -0.402 0.000 0.826 36 K CB 1.846 34.213 32.500 -0.222 0.000 1.359 36 K HN 0.271 nan 8.250 nan 0.000 0.434 37 F N 1.389 121.273 119.950 -0.110 0.000 2.384 37 F HA 0.467 4.994 4.527 0.000 0.000 0.338 37 F C -0.229 175.553 175.800 -0.029 0.000 1.103 37 F CA -0.591 57.371 58.000 -0.062 0.000 1.157 37 F CB 1.940 40.924 39.000 -0.027 0.000 1.167 37 F HN 0.114 nan 8.300 nan 0.000 0.529 38 V N 2.403 122.454 119.914 0.229 0.000 2.612 38 V HA 0.236 4.356 4.120 0.000 0.000 0.301 38 V C -0.563 175.615 176.094 0.141 0.000 1.059 38 V CA -0.831 61.558 62.300 0.148 0.000 0.886 38 V CB 1.753 33.647 31.823 0.119 0.000 1.007 38 V HN 0.751 nan 8.190 nan 0.000 0.426 39 S N 4.220 119.988 115.700 0.114 0.000 2.586 39 S HA 0.757 5.227 4.470 0.000 0.000 0.274 39 S C -0.604 174.070 174.600 0.123 0.000 1.281 39 S CA -0.336 57.928 58.200 0.107 0.000 1.035 39 S CB 1.356 64.604 63.200 0.080 0.000 0.962 39 S HN 0.556 nan 8.310 nan 0.000 0.512 40 L N 2.774 124.092 121.223 0.157 0.000 2.385 40 L HA 0.506 4.846 4.340 0.000 0.000 0.273 40 L C -0.417 176.635 176.870 0.303 0.000 0.990 40 L CA -0.681 54.281 54.840 0.203 0.000 0.821 40 L CB 1.602 43.750 42.059 0.149 0.000 1.279 40 L HN 0.636 nan 8.230 nan 0.000 0.412 41 E N 3.905 124.250 120.200 0.242 0.000 3.379 41 E HA 0.227 4.577 4.350 0.000 0.000 0.257 41 E C 1.109 177.790 176.600 0.136 0.000 0.882 41 E CA 1.747 58.260 56.400 0.189 0.000 0.962 41 E CB -0.263 29.561 29.700 0.207 0.000 0.900 41 E HN 0.980 nan 8.360 nan 0.000 0.560 42 G N 3.459 112.230 108.800 -0.048 0.000 2.141 42 G HA2 -0.267 3.693 3.960 0.000 0.000 0.242 42 G HA3 -0.267 3.693 3.960 0.000 0.000 0.242 42 G C -0.154 174.275 174.900 -0.785 0.000 0.982 42 G CA 0.036 44.908 45.100 -0.379 0.000 0.662 42 G HN 0.390 nan 8.290 nan 0.000 0.527 43 F N -0.184 119.734 119.950 -0.053 0.000 2.553 43 F HA 0.687 5.214 4.527 0.000 0.000 0.335 43 F C 1.202 176.983 175.800 -0.031 0.000 1.148 43 F CA -0.235 57.730 58.000 -0.058 0.000 0.963 43 F CB 1.339 40.293 39.000 -0.078 0.000 1.217 43 F HN 0.123 nan 8.300 nan 0.000 0.441 44 A N 2.085 124.954 122.820 0.081 0.000 1.842 44 A HA -0.214 4.106 4.320 0.000 0.000 0.217 44 A C 1.250 178.867 177.584 0.055 0.000 1.206 44 A CA 1.336 53.399 52.037 0.043 0.000 0.630 44 A CB -0.687 18.323 19.000 0.016 0.000 0.839 44 A HN 0.704 nan 8.150 nan 0.000 0.447 45 Q N 1.597 121.440 119.800 0.072 0.000 2.255 45 Q HA 0.247 4.587 4.340 0.000 0.000 0.280 45 Q C -2.340 173.704 176.000 0.073 0.000 1.068 45 Q CA -1.703 54.131 55.803 0.052 0.000 0.911 45 Q CB 0.376 29.157 28.738 0.070 0.000 1.157 45 Q HN 0.423 nan 8.270 nan 0.000 0.380 46 P HA 0.044 nan 4.420 nan 0.000 0.275 46 P C -0.937 176.495 177.300 0.220 0.000 1.228 46 P CA -0.308 62.849 63.100 0.094 0.000 0.786 46 P CB 0.923 32.613 31.700 -0.016 0.000 0.927 47 V N 2.059 122.100 119.914 0.212 0.000 2.498 47 V HA 0.358 4.478 4.120 0.000 0.000 0.279 47 V C 0.880 177.101 176.094 0.211 0.000 1.048 47 V CA -0.484 61.939 62.300 0.205 0.000 0.967 47 V CB 0.693 32.606 31.823 0.151 0.000 0.988 47 V HN 0.729 nan 8.190 nan 0.000 0.473 48 A N 6.928 129.831 122.820 0.138 0.000 2.269 48 A HA 0.700 5.020 4.320 0.000 0.000 0.302 48 A C -0.346 177.056 177.584 -0.302 0.000 1.266 48 A CA -0.323 51.592 52.037 -0.203 0.000 0.894 48 A CB -0.132 18.789 19.000 -0.131 0.000 1.147 48 A HN 0.770 nan 8.150 nan 0.000 0.537 49 I N 2.172 122.427 120.570 -0.525 0.000 2.412 49 I HA 0.448 4.618 4.170 0.000 0.000 0.296 49 I C -1.120 174.511 176.117 -0.810 0.000 0.987 49 I CA -0.353 60.633 61.300 -0.523 0.000 1.180 49 I CB 1.572 39.373 38.000 -0.331 0.000 1.340 49 I HN 0.554 nan 8.210 nan 0.000 0.455 50 F N 6.201 125.992 119.950 -0.265 0.000 2.507 50 F HA 0.523 5.050 4.527 0.000 0.000 0.328 50 F C -0.432 175.225 175.800 -0.239 0.000 1.136 50 F CA -0.557 57.342 58.000 -0.167 0.000 0.930 50 F CB 1.342 40.340 39.000 -0.004 0.000 1.166 50 F HN 0.083 nan 8.300 nan 0.000 0.436 51 L N 2.732 123.903 121.223 -0.088 0.000 2.313 51 L HA 0.701 5.041 4.340 0.000 0.000 0.283 51 L C 0.674 177.495 176.870 -0.081 0.000 1.013 51 L CA -0.880 53.871 54.840 -0.149 0.000 0.816 51 L CB 1.680 43.518 42.059 -0.367 0.000 1.236 51 L HN 0.920 nan 8.230 nan 0.000 0.419 52 G N 3.525 112.312 108.800 -0.021 0.000 2.212 52 G HA2 -0.227 3.733 3.960 0.000 0.000 0.255 52 G HA3 -0.227 3.733 3.960 0.000 0.000 0.255 52 G C -0.146 174.879 174.900 0.208 0.000 1.062 52 G CA -0.496 44.617 45.100 0.023 0.000 0.815 52 G HN 0.496 nan 8.290 nan 0.000 0.497 53 I N 2.220 122.860 120.570 0.117 0.000 2.416 53 I HA 0.223 4.393 4.170 0.000 0.000 0.288 53 I C -1.428 174.659 176.117 -0.051 0.000 1.051 53 I CA -1.990 59.318 61.300 0.013 0.000 1.375 53 I CB 1.199 39.112 38.000 -0.144 0.000 1.407 53 I HN 0.012 nan 8.210 nan 0.000 0.516 54 P HA 0.085 nan 4.420 nan 0.000 0.282 54 P C -0.324 176.798 177.300 -0.297 0.000 1.262 54 P CA -0.143 62.655 63.100 -0.503 0.000 0.773 54 P CB 0.628 32.080 31.700 -0.413 0.000 0.879 55 F N 1.466 121.186 119.950 -0.382 0.000 2.661 55 F HA 0.759 5.286 4.527 0.000 0.000 0.306 55 F C -0.077 175.717 175.800 -0.010 0.000 1.094 55 F CA -1.045 56.796 58.000 -0.265 0.000 1.254 55 F CB 0.137 38.893 39.000 -0.405 0.000 1.040 55 F HN 0.370 nan 8.300 nan 0.000 0.562 56 A N 0.560 123.084 122.820 -0.493 0.000 2.610 56 A HA 0.504 4.824 4.320 0.000 0.000 0.291 56 A C -1.312 176.102 177.584 -0.284 0.000 1.086 56 A CA -1.140 50.713 52.037 -0.307 0.000 0.677 56 A CB 0.940 19.677 19.000 -0.437 0.000 1.278 56 A HN 0.207 nan 8.150 nan 0.000 0.414 57 K N 0.869 121.176 120.400 -0.154 0.000 2.298 57 K HA 0.420 4.740 4.320 0.000 0.000 0.280 57 K C -2.446 174.053 176.600 -0.168 0.000 1.032 57 K CA -1.508 54.701 56.287 -0.130 0.000 0.958 57 K CB 0.363 32.820 32.500 -0.072 0.000 0.978 57 K HN 0.324 nan 8.250 nan 0.000 0.472 58 P HA -0.018 nan 4.420 nan 0.000 0.258 58 P C -2.403 174.825 177.300 -0.119 0.000 1.187 58 P CA -0.854 62.160 63.100 -0.144 0.000 0.767 58 P CB 0.193 31.839 31.700 -0.091 0.000 0.770 59 P HA 0.030 nan 4.420 nan 0.000 0.231 59 P C -0.586 176.640 177.300 -0.124 0.000 1.756 59 P CA 0.548 63.572 63.100 -0.127 0.000 0.990 59 P CB -0.034 31.589 31.700 -0.128 0.000 1.973 60 L N -0.238 120.923 121.223 -0.102 0.000 2.335 60 L HA 0.638 4.978 4.340 0.000 0.000 0.268 60 L C 1.671 178.489 176.870 -0.087 0.000 1.016 60 L CA -0.536 54.252 54.840 -0.086 0.000 0.805 60 L CB 0.422 42.443 42.059 -0.064 0.000 1.311 60 L HN 0.279 nan 8.230 nan 0.000 0.456 61 G N 1.044 109.800 108.800 -0.074 0.000 2.652 61 G HA2 -0.290 3.671 3.960 0.000 0.000 0.318 61 G HA3 -0.290 3.671 3.960 0.000 0.000 0.318 61 G C -1.272 173.579 174.900 -0.081 0.000 1.295 61 G CA 0.381 45.442 45.100 -0.066 0.000 0.999 61 G HN 0.633 nan 8.290 nan 0.000 0.548 62 P HA -0.007 nan 4.420 nan 0.000 0.221 62 P C 2.046 179.299 177.300 -0.078 0.000 1.145 62 P CA 1.480 64.553 63.100 -0.045 0.000 0.795 62 P CB -0.112 31.577 31.700 -0.017 0.000 0.775 63 L N -1.127 120.034 121.223 -0.102 0.000 2.465 63 L HA 0.018 4.358 4.340 0.000 0.000 0.224 63 L C 1.871 178.602 176.870 -0.231 0.000 1.145 63 L CA 0.083 54.842 54.840 -0.136 0.000 0.834 63 L CB -0.563 41.429 42.059 -0.111 0.000 0.944 63 L HN -0.023 nan 8.230 nan 0.000 0.451 64 R N 0.502 120.835 120.500 -0.279 0.000 2.623 64 R HA -0.071 4.269 4.340 0.000 0.000 0.271 64 R C -0.124 175.820 176.300 -0.593 0.000 1.043 64 R CA -0.083 55.703 56.100 -0.524 0.000 1.083 64 R CB 0.207 30.124 30.300 -0.637 0.000 0.974 64 R HN 0.047 nan 8.270 nan 0.000 0.436 65 F N -0.001 119.614 119.950 -0.558 0.000 3.074 65 F HA -0.276 4.252 4.527 0.000 0.000 0.287 65 F C 0.128 174.953 175.800 -1.625 0.000 0.932 65 F CA 1.462 58.808 58.000 -1.089 0.000 0.995 65 F CB -2.497 36.287 39.000 -0.359 0.000 0.966 65 F HN 0.662 nan 8.300 nan 0.000 0.721 66 T N -3.765 110.031 114.554 -1.263 0.000 2.868 66 T HA 0.736 5.086 4.350 0.000 0.000 0.306 66 T C -3.060 171.442 174.700 -0.330 0.000 1.224 66 T CA -2.403 59.208 62.100 -0.814 0.000 1.012 66 T CB 3.117 71.799 68.868 -0.309 0.000 1.221 66 T HN -0.252 nan 8.240 nan 0.000 0.499 67 P HA 0.190 nan 4.420 nan 0.000 0.265 67 P C -2.336 175.027 177.300 0.106 0.000 1.187 67 P CA -0.608 62.625 63.100 0.223 0.000 0.766 67 P CB -0.238 31.592 31.700 0.216 0.000 0.820 68 P HA 0.090 nan 4.420 nan 0.000 0.276 68 P C -0.780 176.568 177.300 0.081 0.000 1.230 68 P CA 0.133 63.286 63.100 0.088 0.000 0.776 68 P CB 0.836 32.624 31.700 0.146 0.000 0.888 69 Q N 3.306 123.128 119.800 0.036 0.000 2.257 69 Q HA 0.429 4.769 4.340 0.000 0.000 0.262 69 Q C -2.266 173.765 176.000 0.050 0.000 0.997 69 Q CA -2.235 53.594 55.803 0.043 0.000 0.873 69 Q CB 0.896 29.642 28.738 0.013 0.000 1.312 69 Q HN 0.358 nan 8.270 nan 0.000 0.450 70 P HA -0.087 nan 4.420 nan 0.000 0.265 70 P C -1.200 176.128 177.300 0.046 0.000 1.187 70 P CA 0.279 63.456 63.100 0.130 0.000 0.766 70 P CB 0.447 32.231 31.700 0.139 0.000 0.820 71 A N 2.566 125.432 122.820 0.076 0.000 2.407 71 A HA 0.116 4.436 4.320 0.000 0.000 0.248 71 A C 0.473 177.921 177.584 -0.227 0.000 1.082 71 A CA -0.163 51.860 52.037 -0.023 0.000 0.785 71 A CB -0.072 19.011 19.000 0.139 0.000 1.020 71 A HN 0.488 nan 8.150 nan 0.000 0.489 72 E N 2.101 122.237 120.200 -0.106 0.000 2.289 72 E HA 0.248 4.598 4.350 0.000 0.000 0.278 72 E C -2.154 174.390 176.600 -0.094 0.000 1.032 72 E CA -1.642 54.683 56.400 -0.125 0.000 0.854 72 E CB 0.765 30.452 29.700 -0.022 0.000 1.046 72 E HN 0.457 nan 8.360 nan 0.000 0.409 73 P HA 0.040 nan 4.420 nan 0.000 0.271 73 P C -0.886 176.401 177.300 -0.022 0.000 1.218 73 P CA -0.061 62.860 63.100 -0.299 0.000 0.780 73 P CB 0.124 31.655 31.700 -0.281 0.000 0.901 74 W N 0.789 122.103 121.300 0.022 0.000 2.570 74 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 74 W C 0.686 177.188 176.519 -0.028 0.000 1.067 74 W CA -0.759 56.599 57.345 0.021 0.000 1.229 74 W CB -0.154 29.349 29.460 0.072 0.000 1.355 74 W HN 0.144 nan 8.180 nan 0.000 0.555 75 S N 0.978 116.743 115.700 0.108 0.000 2.453 75 S HA 0.025 4.495 4.470 0.000 0.000 0.231 75 S C 0.257 174.549 174.600 -0.514 0.000 1.005 75 S CA 0.804 58.843 58.200 -0.268 0.000 0.949 75 S CB -0.354 62.582 63.200 -0.440 0.000 0.774 75 S HN 0.457 nan 8.310 nan 0.000 0.510 76 F N -0.694 119.396 119.950 0.234 0.000 3.208 76 F HA 0.471 4.998 4.527 0.000 0.000 0.286 76 F C -0.091 175.877 175.800 0.279 0.000 1.532 76 F CA -1.093 57.022 58.000 0.192 0.000 1.004 76 F CB 0.047 39.122 39.000 0.126 0.000 1.777 76 F HN -0.376 nan 8.300 nan 0.000 0.384 77 V N 1.604 121.789 119.914 0.452 0.000 2.364 77 V HA 0.240 4.360 4.120 0.000 0.000 0.272 77 V C -0.241 175.977 176.094 0.206 0.000 1.036 77 V CA -0.847 61.640 62.300 0.311 0.000 0.880 77 V CB 0.860 32.809 31.823 0.209 0.000 0.991 77 V HN 0.409 nan 8.190 nan 0.000 0.460 78 K N 4.266 124.745 120.400 0.132 0.000 2.172 78 K HA 0.314 4.634 4.320 0.000 0.000 0.276 78 K C -0.245 176.330 176.600 -0.041 0.000 1.013 78 K CA -0.573 55.636 56.287 -0.129 0.000 0.913 78 K CB 0.582 32.676 32.500 -0.676 0.000 1.055 78 K HN 0.601 nan 8.250 nan 0.000 0.461 79 N N 2.434 121.096 118.700 -0.063 0.000 2.406 79 N HA 0.163 4.903 4.740 0.000 0.000 0.251 79 N C -0.902 174.578 175.510 -0.051 0.000 1.069 79 N CA -0.098 52.931 53.050 -0.035 0.000 0.947 79 N CB 1.635 40.092 38.487 -0.050 0.000 1.111 79 N HN 0.587 nan 8.380 nan 0.000 0.497 80 A N 1.725 124.554 122.820 0.014 0.000 3.245 80 A HA 0.235 4.555 4.320 0.000 0.000 0.282 80 A C 0.934 178.484 177.584 -0.058 0.000 1.417 80 A CA -0.472 51.575 52.037 0.017 0.000 1.149 80 A CB -0.686 18.421 19.000 0.178 0.000 1.155 80 A HN 0.611 nan 8.150 nan 0.000 0.602 81 T N -3.501 110.981 114.554 -0.120 0.000 3.040 81 T HA 0.283 4.633 4.350 0.000 0.000 0.266 81 T C 0.530 175.084 174.700 -0.244 0.000 1.005 81 T CA 0.185 62.176 62.100 -0.182 0.000 0.906 81 T CB 0.112 68.897 68.868 -0.138 0.000 1.082 81 T HN 0.225 nan 8.240 nan 0.000 0.531 82 S N 0.683 116.243 115.700 -0.233 0.000 2.578 82 S HA 0.649 5.119 4.470 0.000 0.000 0.301 82 S C -1.246 173.183 174.600 -0.286 0.000 1.091 82 S CA -0.728 57.331 58.200 -0.235 0.000 1.032 82 S CB 0.749 63.860 63.200 -0.148 0.000 1.064 82 S HN 0.297 nan 8.310 nan 0.000 0.508 83 Y N 3.180 123.422 120.300 -0.097 0.000 2.442 83 Y HA 0.256 4.806 4.550 0.000 0.000 0.330 83 Y C -1.503 174.299 175.900 -0.163 0.000 1.129 83 Y CA -1.413 56.628 58.100 -0.098 0.000 1.365 83 Y CB 0.085 38.503 38.460 -0.070 0.000 1.233 83 Y HN 0.411 nan 8.280 nan 0.000 0.529 84 P HA 0.210 nan 4.420 nan 0.000 0.274 84 P C -2.681 174.515 177.300 -0.172 0.000 1.246 84 P CA -1.598 61.331 63.100 -0.285 0.000 0.795 84 P CB 0.633 32.066 31.700 -0.445 0.000 1.006 85 P HA 0.207 nan 4.420 nan 0.000 0.272 85 P C -0.134 177.100 177.300 -0.109 0.000 1.240 85 P CA -0.039 62.974 63.100 -0.145 0.000 0.791 85 P CB 0.215 31.823 31.700 -0.154 0.000 0.978 86 M N -0.468 119.065 119.600 -0.112 0.000 2.478 86 M HA 0.501 4.981 4.480 0.000 0.000 0.327 86 M C -0.875 175.336 176.300 -0.148 0.000 1.187 86 M CA -0.705 54.527 55.300 -0.114 0.000 1.022 86 M CB 0.851 33.372 32.600 -0.131 0.000 1.629 86 M HN 0.109 nan 8.290 nan 0.000 0.461 87 c N 1.837 120.344 118.600 -0.155 0.000 2.657 87 c HA 0.147 4.717 4.570 0.000 0.000 0.420 87 c C 0.902 174.803 174.090 -0.316 0.000 1.323 87 c CA -0.223 55.962 56.329 -0.240 0.000 1.894 87 c CB -0.425 41.966 42.510 -0.198 0.000 2.681 87 c HN 0.880 nan 8.230 nan 0.000 0.613 88 T N 4.513 118.736 114.554 -0.552 0.000 2.819 88 T HA 0.196 4.546 4.350 0.000 0.000 0.282 88 T C 0.073 174.560 174.700 -0.355 0.000 1.013 88 T CA 0.693 62.412 62.100 -0.635 0.000 1.159 88 T CB -0.305 67.712 68.868 -1.419 0.000 1.007 88 T HN 0.899 nan 8.240 nan 0.000 0.514 89 Q N 1.047 120.766 119.800 -0.135 0.000 2.782 89 Q HA 0.336 4.676 4.340 0.000 0.000 0.308 89 Q C -1.595 174.430 176.000 0.041 0.000 0.883 89 Q CA -1.185 54.630 55.803 0.019 0.000 0.755 89 Q CB 0.857 29.594 28.738 -0.003 0.000 1.454 89 Q HN 0.354 nan 8.270 nan 0.000 0.452 90 D N 2.347 122.793 120.400 0.077 0.000 2.368 90 D HA 0.047 4.687 4.640 0.000 0.000 0.268 90 D C -1.224 175.087 176.300 0.017 0.000 1.298 90 D CA -1.497 52.540 54.000 0.063 0.000 0.938 90 D CB 1.034 41.879 40.800 0.074 0.000 1.101 90 D HN 0.308 nan 8.370 nan 0.000 0.509 91 P HA -0.209 nan 4.420 nan 0.000 0.216 91 P C 1.303 178.590 177.300 -0.022 0.000 1.150 91 P CA 1.165 64.252 63.100 -0.021 0.000 0.843 91 P CB 0.503 32.192 31.700 -0.019 0.000 0.787 92 K N 0.135 120.530 120.400 -0.008 0.000 1.973 92 K HA -0.068 4.252 4.320 0.000 0.000 0.212 92 K C 2.393 178.981 176.600 -0.020 0.000 1.047 92 K CA 1.625 57.905 56.287 -0.012 0.000 0.937 92 K CB -0.789 31.710 32.500 -0.001 0.000 0.721 92 K HN -0.057 nan 8.250 nan 0.000 0.440 93 A N 0.532 123.345 122.820 -0.011 0.000 1.940 93 A HA -0.113 4.208 4.320 0.000 0.000 0.219 93 A C 2.295 179.854 177.584 -0.042 0.000 1.176 93 A CA 2.078 54.103 52.037 -0.021 0.000 0.631 93 A CB -1.294 17.708 19.000 0.005 0.000 0.814 93 A HN 0.580 nan 8.150 nan 0.000 0.446 94 G N -0.893 107.883 108.800 -0.039 0.000 2.433 94 G HA2 -0.296 3.664 3.960 0.000 0.000 0.216 94 G HA3 -0.296 3.664 3.960 0.000 0.000 0.216 94 G C 1.622 176.472 174.900 -0.085 0.000 1.186 94 G CA 1.109 46.172 45.100 -0.062 0.000 0.779 94 G HN 0.639 nan 8.290 nan 0.000 0.543 95 Q N -0.593 119.162 119.800 -0.074 0.000 2.124 95 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 95 Q C 2.411 178.362 176.000 -0.083 0.000 0.977 95 Q CA 1.179 56.933 55.803 -0.080 0.000 0.850 95 Q CB -0.220 28.480 28.738 -0.063 0.000 0.901 95 Q HN 0.382 nan 8.270 nan 0.000 0.429 96 L N 0.364 121.542 121.223 -0.075 0.000 2.056 96 L HA -0.123 4.217 4.340 0.000 0.000 0.207 96 L C 2.066 178.861 176.870 -0.125 0.000 1.078 96 L CA 1.474 56.268 54.840 -0.078 0.000 0.749 96 L CB -0.752 41.268 42.059 -0.065 0.000 0.901 96 L HN 0.399 nan 8.230 nan 0.000 0.433 97 L N -1.310 119.811 121.223 -0.170 0.000 2.141 97 L HA -0.109 4.231 4.340 0.000 0.000 0.209 97 L C 2.639 179.334 176.870 -0.291 0.000 1.094 97 L CA 1.878 56.532 54.840 -0.311 0.000 0.763 97 L CB -0.760 41.127 42.059 -0.287 0.000 0.908 97 L HN 0.424 nan 8.230 nan 0.000 0.437 98 S N -0.640 114.951 115.700 -0.182 0.000 2.355 98 S HA -0.198 4.272 4.470 0.000 0.000 0.222 98 S C 1.837 176.349 174.600 -0.147 0.000 1.031 98 S CA 1.507 59.600 58.200 -0.177 0.000 0.993 98 S CB -0.253 62.843 63.200 -0.173 0.000 0.859 98 S HN 0.648 nan 8.310 nan 0.000 0.453 99 E N 0.598 120.737 120.200 -0.102 0.000 2.110 99 E HA -0.096 4.254 4.350 0.000 0.000 0.193 99 E C 2.075 178.693 176.600 0.030 0.000 0.988 99 E CA 1.233 57.607 56.400 -0.044 0.000 0.804 99 E CB -0.271 29.414 29.700 -0.024 0.000 0.745 99 E HN 0.497 nan 8.360 nan 0.000 0.458 100 L N -0.284 120.953 121.223 0.024 0.000 2.217 100 L HA -0.074 4.266 4.340 0.000 0.000 0.211 100 L C 1.891 179.006 176.870 0.408 0.000 1.107 100 L CA 0.520 55.461 54.840 0.169 0.000 0.783 100 L CB -0.030 42.054 42.059 0.042 0.000 0.919 100 L HN 0.098 nan 8.230 nan 0.000 0.442 101 F N -0.949 118.971 119.950 -0.050 0.000 2.622 101 F HA 0.127 4.654 4.527 -0.000 0.000 0.288 101 F C 1.671 177.145 175.800 -0.543 0.000 1.120 101 F CA -0.383 57.471 58.000 -0.244 0.000 1.423 101 F CB -0.723 38.167 39.000 -0.183 0.000 1.127 101 F HN -0.169 nan 8.300 nan 0.000 0.588 102 T N 2.681 117.069 114.554 -0.276 0.000 2.933 102 T HA -0.095 4.255 4.350 0.000 0.000 0.306 102 T C 1.202 175.678 174.700 -0.373 0.000 1.045 102 T CA 0.089 61.934 62.100 -0.425 0.000 1.143 102 T CB 0.136 68.832 68.868 -0.286 0.000 1.003 102 T HN 0.379 nan 8.240 nan 0.000 0.540 103 N N 4.518 122.945 118.700 -0.454 0.000 2.268 103 N HA 0.028 4.768 4.740 0.000 0.000 0.204 103 N C 0.320 175.686 175.510 -0.240 0.000 1.124 103 N CA -0.448 52.383 53.050 -0.364 0.000 0.838 103 N CB 0.043 38.309 38.487 -0.367 0.000 0.994 103 N HN 0.758 nan 8.380 nan 0.000 0.489 104 R N 0.026 120.407 120.500 -0.199 0.000 2.758 104 R HA 0.368 4.708 4.340 0.000 0.000 0.265 104 R C 1.313 177.563 176.300 -0.082 0.000 1.016 104 R CA -0.881 55.144 56.100 -0.124 0.000 1.040 104 R CB 0.902 31.138 30.300 -0.108 0.000 1.152 104 R HN -0.253 nan 8.270 nan 0.000 0.503 105 K N 0.818 121.194 120.400 -0.041 0.000 2.044 105 K HA -0.192 4.128 4.320 0.000 0.000 0.210 105 K C -0.173 176.421 176.600 -0.009 0.000 1.049 105 K CA 1.718 58.000 56.287 -0.008 0.000 0.927 105 K CB -0.354 32.154 32.500 0.013 0.000 0.713 105 K HN 0.683 nan 8.250 nan 0.000 0.443 106 E N 1.442 121.626 120.200 -0.026 0.000 2.218 106 E HA 0.223 4.573 4.350 0.000 0.000 0.263 106 E C -1.209 175.349 176.600 -0.070 0.000 0.879 106 E CA -0.608 55.772 56.400 -0.033 0.000 0.762 106 E CB 0.925 30.613 29.700 -0.020 0.000 1.166 106 E HN 0.287 nan 8.360 nan 0.000 0.415 107 N N 5.091 123.746 118.700 -0.076 0.000 2.458 107 N HA -0.002 4.738 4.740 0.000 0.000 0.258 107 N C -0.466 174.962 175.510 -0.136 0.000 1.219 107 N CA 0.112 53.091 53.050 -0.117 0.000 0.902 107 N CB 0.496 38.925 38.487 -0.098 0.000 1.076 107 N HN 0.460 nan 8.380 nan 0.000 0.455 108 I N 5.723 126.168 120.570 -0.208 0.000 2.312 108 I HA 0.254 4.424 4.170 0.000 0.000 0.291 108 I C -1.723 174.268 176.117 -0.209 0.000 1.031 108 I CA -2.085 59.066 61.300 -0.248 0.000 1.293 108 I CB 0.621 38.325 38.000 -0.493 0.000 1.403 108 I HN 0.386 nan 8.210 nan 0.000 0.484 109 P HA 0.419 nan 4.420 nan 0.000 0.274 109 P C -0.861 176.370 177.300 -0.116 0.000 1.231 109 P CA -0.301 62.731 63.100 -0.113 0.000 0.790 109 P CB 1.652 33.306 31.700 -0.077 0.000 0.951 110 L N 0.871 122.031 121.223 -0.105 0.000 2.257 110 L HA 0.595 4.935 4.340 0.000 0.000 0.257 110 L C 0.267 177.087 176.870 -0.083 0.000 1.033 110 L CA -1.236 53.546 54.840 -0.097 0.000 0.835 110 L CB 1.400 43.392 42.059 -0.112 0.000 1.398 110 L HN 0.163 nan 8.230 nan 0.000 0.429 111 K N 0.661 121.011 120.400 -0.084 0.000 2.156 111 K HA 0.675 4.996 4.320 0.000 0.000 0.250 111 K C -1.039 175.500 176.600 -0.103 0.000 0.955 111 K CA -0.351 55.885 56.287 -0.085 0.000 0.855 111 K CB 1.476 33.927 32.500 -0.082 0.000 1.101 111 K HN 0.344 nan 8.250 nan 0.000 0.434 112 L N 0.736 121.896 121.223 -0.105 0.000 2.360 112 L HA 0.625 4.965 4.340 0.000 0.000 0.271 112 L C 0.018 176.797 176.870 -0.152 0.000 1.057 112 L CA -0.504 54.253 54.840 -0.137 0.000 0.803 112 L CB 1.709 43.689 42.059 -0.132 0.000 1.207 112 L HN 0.585 nan 8.230 nan 0.000 0.445 113 S N 0.022 115.600 115.700 -0.203 0.000 2.586 113 S HA 0.152 4.622 4.470 0.000 0.000 0.277 113 S C -0.080 174.355 174.600 -0.275 0.000 1.131 113 S CA -0.582 57.499 58.200 -0.198 0.000 0.848 113 S CB 1.501 64.619 63.200 -0.136 0.000 1.091 113 S HN 0.744 nan 8.310 nan 0.000 0.453 114 E N 0.710 120.753 120.200 -0.263 0.000 2.299 114 E HA 0.019 4.369 4.350 0.000 0.000 0.193 114 E C -0.366 176.129 176.600 -0.175 0.000 0.998 114 E CA 0.344 56.559 56.400 -0.308 0.000 0.851 114 E CB 0.200 29.767 29.700 -0.220 0.000 0.795 114 E HN 0.501 nan 8.360 nan 0.000 0.492 115 D N -0.017 120.322 120.400 -0.102 0.000 2.483 115 D HA 0.001 4.641 4.640 0.000 0.000 0.220 115 D C -0.125 176.231 176.300 0.094 0.000 1.173 115 D CA -0.273 53.723 54.000 -0.007 0.000 0.964 115 D CB 0.040 40.852 40.800 0.021 0.000 1.046 115 D HN 0.148 nan 8.370 nan 0.000 0.517 116 c N 2.436 121.078 118.600 0.070 0.000 3.722 116 c HA 0.371 4.941 4.570 0.000 0.000 0.279 116 c C 0.669 174.855 174.090 0.161 0.000 1.819 116 c CA -0.682 55.744 56.329 0.162 0.000 1.744 116 c CB -1.326 41.177 42.510 -0.012 0.000 3.247 116 c HN 0.441 nan 8.230 nan 0.000 0.549 117 L N 2.466 123.587 121.223 -0.171 0.000 2.391 117 L HA 0.365 4.705 4.340 0.000 0.000 0.249 117 L C -0.657 175.655 176.870 -0.929 0.000 1.308 117 L CA 0.501 55.012 54.840 -0.548 0.000 1.209 117 L CB -0.761 40.789 42.059 -0.848 0.000 1.401 117 L HN 0.395 nan 8.230 nan 0.000 0.416 118 Y N 1.602 121.859 120.300 -0.072 0.000 2.659 118 Y HA 0.738 5.289 4.550 0.000 0.000 0.333 118 Y C -0.072 175.997 175.900 0.282 0.000 1.064 118 Y CA -1.249 56.879 58.100 0.046 0.000 1.141 118 Y CB 1.807 40.251 38.460 -0.028 0.000 1.316 118 Y HN 0.131 nan 8.280 nan 0.000 0.509 119 L N -0.466 120.933 121.223 0.293 0.000 2.465 119 L HA 0.713 5.053 4.340 0.000 0.000 0.257 119 L C -1.641 175.270 176.870 0.068 0.000 0.988 119 L CA -1.207 53.724 54.840 0.151 0.000 0.827 119 L CB 1.743 43.788 42.059 -0.023 0.000 1.397 119 L HN 0.407 nan 8.230 nan 0.000 0.410 120 N N 1.578 120.336 118.700 0.096 0.000 2.361 120 N HA 0.743 5.483 4.740 0.000 0.000 0.302 120 N C -1.206 174.293 175.510 -0.018 0.000 1.074 120 N CA -0.232 52.833 53.050 0.025 0.000 0.850 120 N CB 2.602 41.152 38.487 0.105 0.000 1.228 120 N HN 0.706 nan 8.380 nan 0.000 0.491 121 I N 1.801 122.280 120.570 -0.152 0.000 2.465 121 I HA 0.293 4.463 4.170 0.000 0.000 0.291 121 I C -1.107 174.920 176.117 -0.150 0.000 1.014 121 I CA -0.733 60.516 61.300 -0.086 0.000 1.093 121 I CB 1.205 39.054 38.000 -0.252 0.000 1.267 121 I HN 0.349 nan 8.210 nan 0.000 0.431 122 Y N 3.697 124.107 120.300 0.184 0.000 2.555 122 Y HA 0.329 4.879 4.550 0.000 0.000 0.326 122 Y C 0.444 176.451 175.900 0.179 0.000 0.984 122 Y CA -0.661 57.543 58.100 0.172 0.000 1.298 122 Y CB 1.730 40.270 38.460 0.135 0.000 1.094 122 Y HN 0.374 nan 8.280 nan 0.000 0.500 123 T N 4.879 119.631 114.554 0.329 0.000 2.794 123 T HA 0.328 4.678 4.350 0.000 0.000 0.280 123 T C -1.943 172.894 174.700 0.228 0.000 0.987 123 T CA -2.337 59.937 62.100 0.289 0.000 0.993 123 T CB 1.247 70.332 68.868 0.361 0.000 0.939 123 T HN 0.348 nan 8.240 nan 0.000 0.449 124 P HA 0.280 nan 4.420 nan 0.000 0.261 124 P C 0.247 177.622 177.300 0.125 0.000 1.268 124 P CA -0.144 63.023 63.100 0.111 0.000 0.833 124 P CB 0.133 31.853 31.700 0.033 0.000 1.231 125 A N 0.986 123.896 122.820 0.149 0.000 2.366 125 A HA 0.169 4.489 4.320 0.000 0.000 0.249 125 A C 0.056 177.733 177.584 0.157 0.000 1.084 125 A CA -0.057 52.062 52.037 0.137 0.000 0.794 125 A CB -0.343 18.738 19.000 0.134 0.000 1.034 125 A HN -0.032 nan 8.150 nan 0.000 0.491 126 D N 1.656 122.131 120.400 0.124 0.000 2.422 126 D HA 0.248 4.888 4.640 0.000 0.000 0.227 126 D C 0.848 177.224 176.300 0.127 0.000 1.190 126 D CA -0.070 54.006 54.000 0.128 0.000 0.905 126 D CB -0.167 40.684 40.800 0.085 0.000 1.034 126 D HN 0.404 nan 8.370 nan 0.000 0.507 127 L N 2.612 123.935 121.223 0.167 0.000 2.551 127 L HA -0.129 4.212 4.340 0.000 0.000 0.230 127 L C 2.050 178.977 176.870 0.094 0.000 1.163 127 L CA 1.259 56.177 54.840 0.131 0.000 0.826 127 L CB -0.702 41.452 42.059 0.158 0.000 0.943 127 L HN 0.498 nan 8.230 nan 0.000 0.452 128 T N -2.797 111.816 114.554 0.098 0.000 3.194 128 T HA 0.068 4.418 4.350 0.000 0.000 0.251 128 T C 0.442 175.171 174.700 0.047 0.000 1.132 128 T CA -0.194 61.948 62.100 0.070 0.000 1.028 128 T CB -0.196 68.714 68.868 0.069 0.000 0.976 128 T HN 0.442 nan 8.240 nan 0.000 0.535 129 K N -0.651 119.777 120.400 0.047 0.000 2.578 129 K HA 0.453 4.773 4.320 0.000 0.000 0.287 129 K C -1.331 175.288 176.600 0.032 0.000 1.010 129 K CA -1.280 55.027 56.287 0.034 0.000 0.889 129 K CB 1.354 33.873 32.500 0.032 0.000 1.514 129 K HN -0.141 nan 8.250 nan 0.000 0.424 130 K N 1.470 121.883 120.400 0.022 0.000 2.401 130 K HA 0.111 4.431 4.320 0.000 0.000 0.278 130 K C -0.971 175.646 176.600 0.028 0.000 1.018 130 K CA 0.104 56.402 56.287 0.019 0.000 0.981 130 K CB 0.332 32.837 32.500 0.009 0.000 0.933 130 K HN 0.595 nan 8.250 nan 0.000 0.477 131 N N 2.908 121.628 118.700 0.034 0.000 2.371 131 N HA 0.242 4.982 4.740 0.000 0.000 0.280 131 N C -1.661 173.874 175.510 0.042 0.000 1.084 131 N CA -0.655 52.420 53.050 0.042 0.000 0.892 131 N CB 1.573 40.096 38.487 0.061 0.000 1.653 131 N HN 0.372 nan 8.380 nan 0.000 0.480 132 R N 1.968 122.488 120.500 0.034 0.000 2.494 132 R HA 0.477 4.817 4.340 0.000 0.000 0.284 132 R C -0.522 175.797 176.300 0.032 0.000 1.525 132 R CA -0.270 55.848 56.100 0.031 0.000 1.460 132 R CB 0.214 30.521 30.300 0.012 0.000 1.134 132 R HN 0.438 nan 8.270 nan 0.000 0.592 133 L N 3.153 124.405 121.223 0.050 0.000 2.399 133 L HA 0.569 4.909 4.340 0.000 0.000 0.266 133 L C -1.688 175.209 176.870 0.045 0.000 1.114 133 L CA -2.093 52.775 54.840 0.047 0.000 0.804 133 L CB 1.083 43.181 42.059 0.064 0.000 1.146 133 L HN 0.216 nan 8.230 nan 0.000 0.451 134 P HA 0.057 nan 4.420 nan 0.000 0.269 134 P C -0.955 176.376 177.300 0.052 0.000 1.209 134 P CA -0.106 63.008 63.100 0.024 0.000 0.776 134 P CB 1.090 32.788 31.700 -0.003 0.000 0.876 135 V N 4.278 124.234 119.914 0.069 0.000 2.495 135 V HA 0.412 4.532 4.120 0.000 0.000 0.298 135 V C 0.472 176.632 176.094 0.109 0.000 1.031 135 V CA -0.420 61.943 62.300 0.104 0.000 0.871 135 V CB 1.352 33.251 31.823 0.126 0.000 0.988 135 V HN 0.490 nan 8.190 nan 0.000 0.432 136 M N 4.721 124.407 119.600 0.143 0.000 2.085 136 M HA 0.495 4.975 4.480 0.000 0.000 0.309 136 M C -1.101 175.466 176.300 0.445 0.000 0.947 136 M CA -0.586 54.830 55.300 0.193 0.000 0.918 136 M CB 2.007 34.593 32.600 -0.024 0.000 1.504 136 M HN 0.371 nan 8.290 nan 0.000 0.420 137 V N 3.367 123.546 119.914 0.441 0.000 2.383 137 V HA 0.284 4.404 4.120 0.000 0.000 0.275 137 V C -0.595 175.747 176.094 0.412 0.000 1.036 137 V CA -0.519 62.003 62.300 0.370 0.000 0.889 137 V CB 1.094 33.022 31.823 0.175 0.000 0.985 137 V HN 0.843 nan 8.190 nan 0.000 0.459 138 W N 7.004 128.344 121.300 0.067 0.000 2.361 138 W HA 0.594 5.255 4.660 0.000 0.000 0.309 138 W C -1.235 175.160 176.519 -0.207 0.000 1.122 138 W CA -0.887 56.256 57.345 -0.336 0.000 1.208 138 W CB 1.270 30.556 29.460 -0.290 0.000 1.246 138 W HN 0.440 nan 8.180 nan 0.000 0.490 139 I N 8.112 127.967 120.570 -1.193 0.000 2.371 139 I HA 0.043 4.213 4.170 0.000 0.000 0.282 139 I C 1.012 176.389 176.117 -1.234 0.000 1.031 139 I CA -0.780 59.984 61.300 -0.895 0.000 1.180 139 I CB 0.706 38.335 38.000 -0.619 0.000 1.336 139 I HN 0.389 nan 8.210 nan 0.000 0.467 140 H N 4.808 123.467 119.070 -0.685 0.000 2.852 140 H HA 0.290 4.846 4.556 0.000 0.000 0.362 140 H C 0.079 175.392 175.328 -0.024 0.000 1.122 140 H CA -0.281 55.568 56.048 -0.331 0.000 1.419 140 H CB 0.954 30.783 29.762 0.112 0.000 1.401 140 H HN 0.611 nan 8.280 nan 0.000 0.609 141 G N -0.763 108.190 108.800 0.254 0.000 2.531 141 G HA2 0.460 4.420 3.960 0.000 0.000 0.281 141 G HA3 0.460 4.420 3.960 0.000 0.000 0.281 141 G C 0.369 175.553 174.900 0.474 0.000 1.382 141 G CA -0.681 44.599 45.100 0.300 0.000 1.045 141 G HN 1.203 nan 8.290 nan 0.000 0.533 142 G N -2.794 106.220 108.800 0.356 0.000 2.223 142 G HA2 0.409 4.369 3.960 0.000 0.000 0.200 142 G HA3 0.409 4.369 3.960 0.000 0.000 0.200 142 G C 0.991 176.006 174.900 0.190 0.000 1.061 142 G CA 0.663 45.929 45.100 0.276 0.000 0.790 142 G HN 2.274 nan 8.290 nan 0.000 0.498 143 G N 0.136 109.034 108.800 0.164 0.000 2.296 143 G HA2 -0.180 3.780 3.960 0.000 0.000 0.282 143 G HA3 -0.180 3.780 3.960 0.000 0.000 0.282 143 G C 1.240 176.152 174.900 0.021 0.000 1.014 143 G CA 0.833 45.978 45.100 0.074 0.000 0.812 143 G HN 1.803 nan 8.290 nan 0.000 0.508 144 L N -3.837 117.441 121.223 0.092 0.000 4.813 144 L HA -0.305 4.035 4.340 0.000 0.000 0.434 144 L C 2.097 179.075 176.870 0.181 0.000 1.106 144 L CA 1.712 56.624 54.840 0.120 0.000 0.991 144 L CB -1.418 40.402 42.059 -0.399 0.000 2.005 144 L HN 0.448 nan 8.230 nan 0.000 0.817 145 M N -1.179 118.498 119.600 0.128 0.000 2.653 145 M HA 0.319 4.799 4.480 0.000 0.000 0.259 145 M C 0.771 177.146 176.300 0.125 0.000 1.244 145 M CA 1.167 56.538 55.300 0.118 0.000 1.163 145 M CB 0.595 33.238 32.600 0.072 0.000 1.309 145 M HN 0.233 nan 8.290 nan 0.000 0.509 146 V N -2.816 117.171 119.914 0.122 0.000 3.181 146 V HA 1.046 5.166 4.120 0.000 0.000 0.308 146 V C -0.349 175.804 176.094 0.099 0.000 1.214 146 V CA -0.315 62.031 62.300 0.076 0.000 1.053 146 V CB 1.342 33.192 31.823 0.044 0.000 1.069 146 V HN 0.484 nan 8.190 nan 0.000 0.441 147 G N -0.503 108.275 108.800 -0.038 0.000 2.362 147 G HA2 0.645 4.605 3.960 0.000 0.000 0.656 147 G HA3 0.645 4.605 3.960 0.000 0.000 0.656 147 G C -0.763 173.757 174.900 -0.634 0.000 1.376 147 G CA -0.038 44.915 45.100 -0.244 0.000 0.971 147 G HN 2.592 nan 8.290 nan 0.000 0.636 148 A N -0.976 121.348 122.820 -0.826 0.000 2.612 148 A HA 1.048 5.368 4.320 0.000 0.000 0.293 148 A C 0.770 178.252 177.584 -0.169 0.000 1.075 148 A CA 0.612 52.367 52.037 -0.470 0.000 0.680 148 A CB 0.902 19.776 19.000 -0.210 0.000 1.279 148 A HN 2.524 nan 8.150 nan 0.000 0.411 149 A N 0.317 123.188 122.820 0.085 0.000 1.874 149 A HA 0.142 4.462 4.320 0.000 0.000 0.214 149 A C 2.077 179.835 177.584 0.290 0.000 1.189 149 A CA 2.219 54.445 52.037 0.315 0.000 0.615 149 A CB -0.963 18.226 19.000 0.314 0.000 0.830 149 A HN 1.182 nan 8.150 nan 0.000 0.443 150 S N -0.037 115.760 115.700 0.161 0.000 2.441 150 S HA -0.166 4.304 4.470 0.000 0.000 0.242 150 S C 1.896 176.439 174.600 -0.095 0.000 1.018 150 S CA 1.725 59.974 58.200 0.083 0.000 0.988 150 S CB -0.597 62.580 63.200 -0.038 0.000 0.778 150 S HN 0.698 nan 8.310 nan 0.000 0.498 151 T N 0.618 115.085 114.554 -0.144 0.000 2.759 151 T HA -0.097 4.254 4.350 0.000 0.000 0.269 151 T C 0.015 174.319 174.700 -0.659 0.000 1.042 151 T CA 1.118 62.957 62.100 -0.434 0.000 1.140 151 T CB -0.269 68.253 68.868 -0.578 0.000 0.864 151 T HN 0.414 nan 8.240 nan 0.000 0.455 152 Y N 1.686 121.818 120.300 -0.281 0.000 2.404 152 Y HA 0.452 5.002 4.550 0.000 0.000 0.344 152 Y C 0.010 175.682 175.900 -0.379 0.000 0.970 152 Y CA -2.212 55.532 58.100 -0.593 0.000 1.180 152 Y CB 0.379 38.188 38.460 -1.084 0.000 1.138 152 Y HN -0.081 nan 8.280 nan 0.000 0.510 153 D N 2.201 122.432 120.400 -0.282 0.000 2.280 153 D HA 0.229 4.869 4.640 0.000 0.000 0.243 153 D C 0.944 177.012 176.300 -0.387 0.000 1.129 153 D CA -0.257 53.592 54.000 -0.252 0.000 0.848 153 D CB 1.576 42.296 40.800 -0.134 0.000 1.107 153 D HN 0.806 nan 8.370 nan 0.000 0.471 154 G N 3.102 111.276 108.800 -1.044 0.000 3.042 154 G HA2 -0.093 3.867 3.960 0.000 0.000 0.212 154 G HA3 -0.093 3.867 3.960 0.000 0.000 0.212 154 G C 1.331 175.950 174.900 -0.469 0.000 1.166 154 G CA -0.088 44.594 45.100 -0.697 0.000 0.767 154 G HN 0.505 nan 8.290 nan 0.000 0.546 155 L N 1.535 122.523 121.223 -0.390 0.000 2.021 155 L HA -0.111 4.229 4.340 0.000 0.000 0.215 155 L C 2.868 179.700 176.870 -0.064 0.000 1.074 155 L CA 2.589 57.397 54.840 -0.053 0.000 0.760 155 L CB -0.515 41.572 42.059 0.046 0.000 0.889 155 L HN 0.212 nan 8.230 nan 0.000 0.433 156 A N -0.956 121.822 122.820 -0.070 0.000 1.854 156 A HA -0.152 4.168 4.320 0.000 0.000 0.214 156 A C 2.210 179.717 177.584 -0.129 0.000 1.192 156 A CA 1.630 53.626 52.037 -0.067 0.000 0.611 156 A CB -1.119 17.837 19.000 -0.073 0.000 0.832 156 A HN 0.478 nan 8.150 nan 0.000 0.442 157 L N 0.052 121.177 121.223 -0.164 0.000 2.043 157 L HA -0.138 4.202 4.340 0.000 0.000 0.212 157 L C 2.596 179.391 176.870 -0.125 0.000 1.075 157 L CA 2.352 57.082 54.840 -0.184 0.000 0.752 157 L CB -0.943 40.964 42.059 -0.253 0.000 0.891 157 L HN 0.369 nan 8.230 nan 0.000 0.432 158 A N -0.624 122.141 122.820 -0.092 0.000 1.877 158 A HA -0.052 4.268 4.320 0.000 0.000 0.216 158 A C 2.451 179.951 177.584 -0.140 0.000 1.186 158 A CA 1.940 53.950 52.037 -0.045 0.000 0.620 158 A CB -1.196 17.837 19.000 0.055 0.000 0.822 158 A HN 0.586 nan 8.150 nan 0.000 0.443 159 A N -1.084 121.570 122.820 -0.278 0.000 1.855 159 A HA -0.180 4.140 4.320 0.000 0.000 0.215 159 A C 2.064 179.147 177.584 -0.835 0.000 1.191 159 A CA 1.505 53.134 52.037 -0.680 0.000 0.613 159 A CB -1.040 17.337 19.000 -1.038 0.000 0.829 159 A HN 0.688 nan 8.150 nan 0.000 0.442 160 H N -0.939 117.744 119.070 -0.645 0.000 2.421 160 H HA -0.033 4.523 4.556 0.000 0.000 0.298 160 H C 0.951 176.198 175.328 -0.135 0.000 1.087 160 H CA 1.482 57.345 56.048 -0.309 0.000 1.330 160 H CB 0.293 29.860 29.762 -0.324 0.000 1.388 160 H HN 0.428 nan 8.280 nan 0.000 0.526 161 E N 0.057 120.236 120.200 -0.035 0.000 2.526 161 E HA 0.010 4.360 4.350 0.000 0.000 0.208 161 E C -0.099 176.495 176.600 -0.011 0.000 0.997 161 E CA -0.260 56.133 56.400 -0.012 0.000 0.961 161 E CB 0.083 29.770 29.700 -0.021 0.000 1.030 161 E HN 0.355 nan 8.360 nan 0.000 0.483 162 N N 0.838 119.521 118.700 -0.029 0.000 2.708 162 N HA -0.165 4.575 4.740 0.000 0.000 0.255 162 N C -0.618 174.903 175.510 0.018 0.000 1.046 162 N CA 0.693 53.742 53.050 -0.001 0.000 0.715 162 N CB -0.854 37.645 38.487 0.019 0.000 0.895 162 N HN 0.043 nan 8.380 nan 0.000 0.545 163 V N -2.908 117.018 119.914 0.020 0.000 3.078 163 V HA 0.714 4.834 4.120 0.000 0.000 0.311 163 V C 0.293 176.436 176.094 0.083 0.000 1.138 163 V CA -0.918 61.407 62.300 0.043 0.000 1.007 163 V CB 2.202 34.037 31.823 0.019 0.000 1.045 163 V HN -0.124 nan 8.190 nan 0.000 0.432 164 V N 2.637 122.619 119.914 0.114 0.000 2.498 164 V HA 0.480 4.600 4.120 0.000 0.000 0.279 164 V C 0.066 176.273 176.094 0.190 0.000 1.048 164 V CA -0.219 62.181 62.300 0.166 0.000 0.967 164 V CB 1.388 33.314 31.823 0.171 0.000 0.988 164 V HN 0.752 nan 8.190 nan 0.000 0.473 165 V N 5.825 125.893 119.914 0.256 0.000 2.417 165 V HA 0.476 4.596 4.120 0.000 0.000 0.291 165 V C -0.255 176.072 176.094 0.389 0.000 1.024 165 V CA -0.512 61.977 62.300 0.316 0.000 0.861 165 V CB 1.871 33.859 31.823 0.275 0.000 0.985 165 V HN 0.593 nan 8.190 nan 0.000 0.436 166 V N 4.163 124.291 119.914 0.357 0.000 2.407 166 V HA 0.517 4.637 4.120 0.000 0.000 0.291 166 V C 0.187 176.484 176.094 0.338 0.000 1.018 166 V CA -0.484 61.991 62.300 0.293 0.000 0.842 166 V CB 2.137 34.074 31.823 0.190 0.000 0.996 166 V HN 0.999 nan 8.190 nan 0.000 0.426 167 T N 3.822 118.588 114.554 0.354 0.000 2.794 167 T HA 0.825 5.175 4.350 0.000 0.000 0.280 167 T C -0.427 174.430 174.700 0.262 0.000 0.987 167 T CA -0.519 61.810 62.100 0.382 0.000 0.993 167 T CB 1.466 70.613 68.868 0.464 0.000 0.939 167 T HN 0.659 nan 8.240 nan 0.000 0.449 168 I N -0.034 120.668 120.570 0.220 0.000 2.797 168 I HA 0.675 4.845 4.170 0.000 0.000 0.307 168 I C -0.820 175.484 176.117 0.313 0.000 1.033 168 I CA -1.320 60.083 61.300 0.170 0.000 1.071 168 I CB 2.203 40.185 38.000 -0.029 0.000 1.255 168 I HN 0.556 nan 8.210 nan 0.000 0.445 169 Q N 2.556 122.577 119.800 0.368 0.000 2.377 169 Q HA 0.556 4.896 4.340 0.000 0.000 0.271 169 Q C -1.899 174.350 176.000 0.413 0.000 1.077 169 Q CA -0.799 55.214 55.803 0.350 0.000 0.820 169 Q CB 2.786 31.677 28.738 0.254 0.000 1.347 169 Q HN 0.710 nan 8.270 nan 0.000 0.444 170 Y N -2.247 118.199 120.300 0.243 0.000 2.562 170 Y HA 0.571 5.121 4.550 0.000 0.000 0.345 170 Y C -0.612 175.364 175.900 0.127 0.000 1.045 170 Y CA -1.508 56.697 58.100 0.175 0.000 1.028 170 Y CB 0.821 39.338 38.460 0.095 0.000 1.297 170 Y HN 0.401 nan 8.280 nan 0.000 0.463 171 R N 1.897 122.491 120.500 0.158 0.000 2.638 171 R HA 0.363 4.703 4.340 0.000 0.000 0.268 171 R C -0.921 175.436 176.300 0.095 0.000 1.006 171 R CA 0.199 56.339 56.100 0.065 0.000 1.088 171 R CB 0.195 30.545 30.300 0.083 0.000 0.950 171 R HN 0.703 nan 8.270 nan 0.000 0.419 172 L N 0.824 122.134 121.223 0.145 0.000 2.279 172 L HA 0.518 4.858 4.340 0.000 0.000 0.262 172 L C 1.222 178.351 176.870 0.432 0.000 1.019 172 L CA -0.541 54.486 54.840 0.311 0.000 0.823 172 L CB 1.545 43.714 42.059 0.184 0.000 1.358 172 L HN 0.881 nan 8.230 nan 0.000 0.432 173 G N 0.440 109.519 108.800 0.465 0.000 2.627 173 G HA2 -0.333 3.627 3.960 0.000 0.000 0.312 173 G HA3 -0.333 3.627 3.960 0.000 0.000 0.312 173 G C 0.884 176.004 174.900 0.367 0.000 1.299 173 G CA 0.666 45.962 45.100 0.326 0.000 0.989 173 G HN 0.660 nan 8.290 nan 0.000 0.547 174 I N -0.713 120.003 120.570 0.243 0.000 2.118 174 I HA -0.231 3.940 4.170 0.000 0.000 0.241 174 I C 2.837 179.179 176.117 0.375 0.000 1.070 174 I CA 2.555 63.979 61.300 0.207 0.000 1.327 174 I CB -0.409 37.503 38.000 -0.147 0.000 1.034 174 I HN 0.572 nan 8.210 nan 0.000 0.405 175 W N 0.736 122.180 121.300 0.241 0.000 2.325 175 W HA -0.156 4.504 4.660 0.000 0.000 0.299 175 W C 2.196 178.807 176.519 0.153 0.000 1.215 175 W CA 1.402 58.791 57.345 0.074 0.000 1.244 175 W CB -0.757 28.672 29.460 -0.051 0.000 1.140 175 W HN 0.285 nan 8.180 nan 0.000 0.523 176 G N -3.103 105.901 108.800 0.339 0.000 3.228 176 G HA2 0.162 4.122 3.960 0.000 0.000 0.245 176 G HA3 0.162 4.122 3.960 0.000 0.000 0.245 176 G C 0.434 174.974 174.900 -0.600 0.000 1.051 176 G CA -0.093 44.977 45.100 -0.050 0.000 0.809 176 G HN 0.091 nan 8.290 nan 0.000 0.531 177 F N -0.834 119.332 119.950 0.360 0.000 2.915 177 F HA 0.406 4.933 4.527 -0.000 0.000 0.347 177 F C 0.275 176.147 175.800 0.121 0.000 1.104 177 F CA -1.824 56.235 58.000 0.099 0.000 1.126 177 F CB 0.131 39.130 39.000 -0.001 0.000 1.145 177 F HN 0.023 nan 8.300 nan 0.000 0.541 178 F N 2.040 122.185 119.950 0.326 0.000 2.578 178 F HA 0.368 4.895 4.527 0.001 0.000 0.376 178 F C 0.454 176.344 175.800 0.149 0.000 1.085 178 F CA 0.454 58.562 58.000 0.181 0.000 1.260 178 F CB 0.506 39.537 39.000 0.051 0.000 1.095 178 F HN -0.095 nan 8.300 nan 0.000 0.573 179 S N 3.390 118.575 115.700 -0.859 0.000 2.548 179 S HA 0.321 4.791 4.470 0.000 0.000 0.276 179 S C 0.306 174.496 174.600 -0.684 0.000 1.129 179 S CA -0.080 57.766 58.200 -0.590 0.000 0.931 179 S CB 1.380 64.404 63.200 -0.294 0.000 1.068 179 S HN 0.844 nan 8.310 nan 0.000 0.480 180 T N 0.725 115.037 114.554 -0.403 0.000 3.086 180 T HA 0.381 4.731 4.350 0.000 0.000 0.250 180 T C 1.475 176.103 174.700 -0.118 0.000 1.074 180 T CA 0.694 62.660 62.100 -0.224 0.000 0.988 180 T CB -0.101 68.749 68.868 -0.030 0.000 0.988 180 T HN 1.833 nan 8.240 nan 0.000 0.530 181 G N 2.149 110.873 108.800 -0.126 0.000 2.162 181 G HA2 -0.201 3.759 3.960 0.000 0.000 0.260 181 G HA3 -0.201 3.759 3.960 0.000 0.000 0.260 181 G C -0.247 174.623 174.900 -0.051 0.000 0.976 181 G CA 0.433 45.482 45.100 -0.085 0.000 0.655 181 G HN 0.962 nan 8.290 nan 0.000 0.533 182 D N -2.070 118.312 120.400 -0.030 0.000 2.798 182 D HA 0.449 5.089 4.640 0.000 0.000 0.308 182 D C 1.283 177.565 176.300 -0.031 0.000 1.187 182 D CA -0.003 53.979 54.000 -0.029 0.000 1.033 182 D CB -0.291 40.500 40.800 -0.014 0.000 1.445 182 D HN 0.101 nan 8.370 nan 0.000 0.550 183 E N -0.302 119.835 120.200 -0.105 0.000 2.338 183 E HA -0.209 4.141 4.350 0.000 0.000 0.197 183 E C 0.830 177.390 176.600 -0.066 0.000 1.007 183 E CA 1.122 57.459 56.400 -0.105 0.000 0.849 183 E CB -0.573 29.028 29.700 -0.165 0.000 0.774 183 E HN 0.516 nan 8.360 nan 0.000 0.506 184 H N 0.439 119.566 119.070 0.095 0.000 2.524 184 H HA 0.144 4.700 4.556 0.000 0.000 0.282 184 H C 0.341 175.779 175.328 0.184 0.000 1.016 184 H CA 1.129 57.248 56.048 0.118 0.000 1.270 184 H CB 0.430 30.246 29.762 0.091 0.000 1.394 184 H HN 0.119 nan 8.280 nan 0.000 0.568 185 S N -0.258 115.622 115.700 0.299 0.000 2.849 185 S HA 0.185 4.655 4.470 0.000 0.000 0.141 185 S C 0.860 175.628 174.600 0.280 0.000 1.109 185 S CA -0.581 57.878 58.200 0.432 0.000 1.106 185 S CB 0.125 63.556 63.200 0.386 0.000 1.637 185 S HN 0.169 nan 8.310 nan 0.000 0.457 186 R N 1.461 122.091 120.500 0.216 0.000 2.122 186 R HA 0.131 4.471 4.340 0.000 0.000 0.236 186 R C 1.404 177.518 176.300 -0.311 0.000 1.129 186 R CA 1.666 57.727 56.100 -0.066 0.000 0.925 186 R CB -0.379 29.869 30.300 -0.087 0.000 0.850 186 R HN 0.847 nan 8.270 nan 0.000 0.431 187 G N -1.585 106.684 108.800 -0.885 0.000 2.343 187 G HA2 -0.147 3.813 3.960 0.000 0.000 0.562 187 G HA3 -0.147 3.813 3.960 0.000 0.000 0.562 187 G C -0.817 173.296 174.900 -1.311 0.000 1.269 187 G CA -0.371 44.038 45.100 -1.150 0.000 1.011 187 G HN 0.271 nan 8.290 nan 0.000 0.498 188 N N -1.230 117.017 118.700 -0.755 0.000 2.782 188 N HA -0.199 4.541 4.740 0.000 0.000 0.251 188 N C 1.251 176.507 175.510 -0.422 0.000 1.101 188 N CA 1.913 54.743 53.050 -0.365 0.000 0.764 188 N CB -1.631 36.805 38.487 -0.084 0.000 1.122 188 N HN 0.742 nan 8.380 nan 0.000 0.561 189 W N 0.640 121.855 121.300 -0.140 0.000 2.308 189 W HA -0.168 4.492 4.660 0.000 0.000 0.301 189 W C 2.464 178.877 176.519 -0.178 0.000 1.220 189 W CA 0.832 58.112 57.345 -0.108 0.000 1.240 189 W CB -0.738 28.681 29.460 -0.068 0.000 1.142 189 W HN 0.302 nan 8.180 nan 0.000 0.521 190 G N -0.006 108.585 108.800 -0.348 0.000 2.446 190 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 190 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 190 G C 1.203 176.058 174.900 -0.075 0.000 1.168 190 G CA 1.410 46.363 45.100 -0.245 0.000 0.771 190 G HN 0.292 nan 8.290 nan 0.000 0.551 191 H N 0.379 119.454 119.070 0.009 0.000 2.387 191 H HA 0.072 4.628 4.556 0.000 0.000 0.299 191 H C 2.722 178.051 175.328 0.002 0.000 1.090 191 H CA 0.779 56.813 56.048 -0.024 0.000 1.332 191 H CB -0.360 29.400 29.762 -0.004 0.000 1.386 191 H HN 0.264 nan 8.280 nan 0.000 0.516 192 L N 0.411 121.730 121.223 0.160 0.000 2.083 192 L HA -0.161 4.179 4.340 0.000 0.000 0.209 192 L C 2.052 179.031 176.870 0.182 0.000 1.083 192 L CA 1.075 56.015 54.840 0.166 0.000 0.752 192 L CB -0.252 41.936 42.059 0.214 0.000 0.899 192 L HN 0.131 nan 8.230 nan 0.000 0.433 193 D N -0.194 120.330 120.400 0.206 0.000 2.144 193 D HA -0.181 4.459 4.640 0.000 0.000 0.199 193 D C 2.283 178.707 176.300 0.206 0.000 0.984 193 D CA 1.088 55.270 54.000 0.302 0.000 0.834 193 D CB -0.100 40.910 40.800 0.351 0.000 0.955 193 D HN 0.424 nan 8.370 nan 0.000 0.465 194 Q N 0.300 120.151 119.800 0.085 0.000 2.020 194 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 194 Q C 2.465 178.440 176.000 -0.040 0.000 0.982 194 Q CA 0.875 56.648 55.803 -0.049 0.000 0.838 194 Q CB -0.189 28.469 28.738 -0.132 0.000 0.899 194 Q HN 0.096 nan 8.270 nan 0.000 0.423 195 V N 1.306 121.232 119.914 0.021 0.000 2.380 195 V HA -0.340 3.780 4.120 0.000 0.000 0.251 195 V C 2.288 178.421 176.094 0.065 0.000 1.063 195 V CA 1.898 64.223 62.300 0.041 0.000 1.055 195 V CB -1.023 30.842 31.823 0.069 0.000 0.657 195 V HN 0.454 nan 8.190 nan 0.000 0.455 196 A N -0.215 122.672 122.820 0.113 0.000 1.908 196 A HA -0.155 4.165 4.320 0.000 0.000 0.218 196 A C 2.395 180.049 177.584 0.117 0.000 1.181 196 A CA 2.173 54.325 52.037 0.191 0.000 0.627 196 A CB -0.738 18.475 19.000 0.354 0.000 0.818 196 A HN 0.614 nan 8.150 nan 0.000 0.445 197 A N -0.626 122.065 122.820 -0.215 0.000 2.015 197 A HA 0.089 4.409 4.320 0.000 0.000 0.219 197 A C 2.096 179.640 177.584 -0.066 0.000 1.163 197 A CA 1.231 52.974 52.037 -0.490 0.000 0.646 197 A CB -0.476 17.922 19.000 -1.003 0.000 0.806 197 A HN 0.472 nan 8.150 nan 0.000 0.448 198 L N -1.261 119.949 121.223 -0.022 0.000 2.156 198 L HA -0.116 4.224 4.340 0.000 0.000 0.208 198 L C 2.804 179.726 176.870 0.086 0.000 1.095 198 L CA 1.024 55.891 54.840 0.044 0.000 0.770 198 L CB -0.366 41.718 42.059 0.041 0.000 0.914 198 L HN 0.346 nan 8.230 nan 0.000 0.439 199 R N -1.195 119.366 120.500 0.102 0.000 2.090 199 R HA -0.187 4.153 4.340 0.000 0.000 0.228 199 R C 2.082 178.452 176.300 0.116 0.000 1.110 199 R CA 1.553 57.712 56.100 0.098 0.000 0.973 199 R CB -0.375 29.991 30.300 0.111 0.000 0.869 199 R HN 0.373 nan 8.270 nan 0.000 0.440 200 W N 0.985 122.301 121.300 0.027 0.000 2.338 200 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 200 W C 1.752 178.280 176.519 0.015 0.000 1.212 200 W CA 1.287 58.657 57.345 0.041 0.000 1.264 200 W CB -0.224 29.292 29.460 0.095 0.000 1.142 200 W HN -0.237 nan 8.180 nan 0.000 0.512 201 V N 0.745 120.832 119.914 0.290 0.000 2.295 201 V HA -0.384 3.736 4.120 0.000 0.000 0.246 201 V C 2.409 178.480 176.094 -0.038 0.000 1.049 201 V CA 2.436 64.828 62.300 0.152 0.000 1.024 201 V CB -1.228 30.715 31.823 0.199 0.000 0.648 201 V HN 0.367 nan 8.190 nan 0.000 0.447 202 Q N -0.432 119.361 119.800 -0.013 0.000 2.181 202 Q HA -0.268 4.072 4.340 0.000 0.000 0.205 202 Q C 1.523 177.459 176.000 -0.108 0.000 0.980 202 Q CA 2.013 57.798 55.803 -0.029 0.000 0.862 202 Q CB -0.034 28.703 28.738 -0.003 0.000 0.905 202 Q HN 0.647 nan 8.270 nan 0.000 0.429 203 D N -0.896 119.377 120.400 -0.212 0.000 2.346 203 D HA 0.026 4.666 4.640 0.000 0.000 0.206 203 D C 0.796 176.851 176.300 -0.408 0.000 1.001 203 D CA 0.417 54.248 54.000 -0.283 0.000 0.871 203 D CB 0.257 40.877 40.800 -0.301 0.000 0.943 203 D HN 0.292 nan 8.370 nan 0.000 0.518 204 N N -0.171 118.173 118.700 -0.594 0.000 2.266 204 N HA 0.019 4.759 4.740 0.000 0.000 0.217 204 N C 1.396 176.765 175.510 -0.234 0.000 1.211 204 N CA -0.144 52.534 53.050 -0.620 0.000 0.881 204 N CB 0.983 38.617 38.487 -1.422 0.000 1.153 204 N HN -0.013 nan 8.380 nan 0.000 0.489 205 I N 2.512 122.993 120.570 -0.149 0.000 2.761 205 I HA -0.141 4.029 4.170 0.000 0.000 0.266 205 I C 1.976 178.183 176.117 0.150 0.000 1.239 205 I CA 0.479 61.840 61.300 0.102 0.000 1.451 205 I CB -0.252 37.805 38.000 0.095 0.000 1.096 205 I HN 0.078 nan 8.210 nan 0.000 0.465 206 A N -1.403 121.446 122.820 0.047 0.000 2.016 206 A HA -0.072 4.249 4.320 0.000 0.000 0.217 206 A C 2.389 179.985 177.584 0.021 0.000 1.162 206 A CA 1.385 53.441 52.037 0.032 0.000 0.662 206 A CB -0.635 18.355 19.000 -0.017 0.000 0.812 206 A HN 0.383 nan 8.150 nan 0.000 0.450 207 S N -0.920 114.768 115.700 -0.020 0.000 2.507 207 S HA 0.013 4.483 4.470 0.000 0.000 0.235 207 S C 0.588 174.997 174.600 -0.318 0.000 0.988 207 S CA 0.754 58.837 58.200 -0.195 0.000 0.944 207 S CB -0.388 62.611 63.200 -0.335 0.000 0.762 207 S HN 0.578 nan 8.310 nan 0.000 0.526 208 F N 0.362 120.297 119.950 -0.025 0.000 2.639 208 F HA 0.377 4.904 4.527 0.000 0.000 0.302 208 F C 1.585 177.428 175.800 0.071 0.000 1.097 208 F CA -0.039 57.972 58.000 0.018 0.000 1.294 208 F CB 0.284 39.293 39.000 0.014 0.000 1.027 208 F HN 0.196 nan 8.300 nan 0.000 0.550 209 G N 0.317 109.221 108.800 0.175 0.000 2.141 209 G HA2 -0.160 3.800 3.960 0.000 0.000 0.242 209 G HA3 -0.160 3.800 3.960 0.000 0.000 0.242 209 G C 0.563 175.540 174.900 0.128 0.000 0.982 209 G CA -0.237 44.945 45.100 0.136 0.000 0.662 209 G HN 0.737 nan 8.290 nan 0.000 0.527 210 G N -0.593 108.292 108.800 0.142 0.000 2.462 210 G HA2 0.517 4.477 3.960 0.000 0.000 0.319 210 G HA3 0.517 4.477 3.960 0.000 0.000 0.319 210 G C -0.340 174.604 174.900 0.073 0.000 1.171 210 G CA -0.070 45.098 45.100 0.114 0.000 0.920 210 G HN 0.592 nan 8.290 nan 0.000 0.499 211 N N 0.883 119.618 118.700 0.059 0.000 2.558 211 N HA 0.307 5.047 4.740 0.000 0.000 0.242 211 N C -1.223 174.314 175.510 0.045 0.000 0.979 211 N CA -2.474 50.595 53.050 0.032 0.000 0.931 211 N CB 2.107 40.600 38.487 0.009 0.000 1.122 211 N HN 0.091 nan 8.380 nan 0.000 0.508 212 P HA -0.053 nan 4.420 nan 0.000 0.223 212 P C 0.971 178.348 177.300 0.129 0.000 1.144 212 P CA 0.782 63.928 63.100 0.077 0.000 0.783 212 P CB 0.120 31.842 31.700 0.036 0.000 0.771 213 G N -0.802 108.009 108.800 0.019 0.000 2.920 213 G HA2 -0.037 3.923 3.960 0.000 0.000 0.208 213 G HA3 -0.037 3.923 3.960 0.000 0.000 0.208 213 G C 0.676 175.323 174.900 -0.421 0.000 1.159 213 G CA 0.178 45.192 45.100 -0.143 0.000 0.784 213 G HN 0.373 nan 8.290 nan 0.000 0.535 214 S N 0.090 115.744 115.700 -0.077 0.000 2.204 214 S HA 0.455 4.925 4.470 0.000 0.000 0.147 214 S C -0.856 173.854 174.600 0.184 0.000 1.711 214 S CA -0.423 57.771 58.200 -0.010 0.000 1.274 214 S CB 0.406 63.564 63.200 -0.071 0.000 1.257 214 S HN -0.071 nan 8.310 nan 0.000 0.404 215 V N 3.370 123.536 119.914 0.420 0.000 2.370 215 V HA 0.493 4.613 4.120 0.000 0.000 0.279 215 V C 0.243 176.446 176.094 0.181 0.000 1.029 215 V CA -0.244 62.190 62.300 0.224 0.000 0.870 215 V CB 1.697 33.625 31.823 0.174 0.000 0.984 215 V HN 0.656 nan 8.190 nan 0.000 0.451 216 T N 6.749 121.376 114.554 0.122 0.000 2.771 216 T HA 0.614 4.964 4.350 0.000 0.000 0.281 216 T C -0.170 174.616 174.700 0.143 0.000 0.982 216 T CA -0.151 62.004 62.100 0.091 0.000 0.978 216 T CB 0.862 69.721 68.868 -0.015 0.000 0.930 216 T HN 0.613 nan 8.240 nan 0.000 0.447 217 I N 1.605 122.238 120.570 0.105 0.000 2.377 217 I HA 0.877 5.047 4.170 0.000 0.000 0.293 217 I C -0.960 175.310 176.117 0.254 0.000 0.987 217 I CA -1.096 60.271 61.300 0.112 0.000 1.185 217 I CB 1.051 38.919 38.000 -0.220 0.000 1.341 217 I HN 0.490 nan 8.210 nan 0.000 0.455 218 F N 3.168 123.117 119.950 -0.002 0.000 2.631 218 F HA 1.017 5.544 4.527 -0.000 0.000 0.308 218 F C -0.443 175.255 175.800 -0.171 0.000 1.097 218 F CA -1.505 56.524 58.000 0.048 0.000 0.952 218 F CB 1.328 40.491 39.000 0.271 0.000 1.307 218 F HN 0.821 nan 8.300 nan 0.000 0.450 219 G N 0.838 109.433 108.800 -0.341 0.000 2.646 219 G HA2 0.494 4.454 3.960 0.000 0.000 0.291 219 G HA3 0.494 4.454 3.960 0.000 0.000 0.291 219 G C -2.506 172.135 174.900 -0.432 0.000 1.445 219 G CA -0.781 43.709 45.100 -1.017 0.000 0.814 219 G HN 0.841 nan 8.290 nan 0.000 0.495 220 E N 0.362 120.297 120.200 -0.441 0.000 2.212 220 E HA 0.635 4.985 4.350 0.000 0.000 0.268 220 E C 0.665 177.289 176.600 0.040 0.000 0.902 220 E CA 0.395 56.791 56.400 -0.006 0.000 0.779 220 E CB 2.052 31.858 29.700 0.176 0.000 1.172 220 E HN 0.983 nan 8.360 nan 0.000 0.409 221 S N 3.137 118.937 115.700 0.166 0.000 4.116 221 S HA -0.389 4.082 4.470 0.000 0.000 0.623 221 S C 1.485 176.189 174.600 0.174 0.000 1.933 221 S CA 2.146 60.539 58.200 0.322 0.000 4.224 221 S CB -1.666 61.829 63.200 0.491 0.000 0.208 221 S HN 0.995 nan 8.310 nan 0.000 0.527 222 A N 1.078 123.997 122.820 0.166 0.000 1.978 222 A HA 0.134 4.454 4.320 0.000 0.000 0.220 222 A C 2.552 180.120 177.584 -0.027 0.000 1.170 222 A CA 2.570 54.648 52.037 0.068 0.000 0.636 222 A CB -1.635 17.428 19.000 0.105 0.000 0.810 222 A HN 1.714 nan 8.150 nan 0.000 0.448 223 G N -0.833 107.915 108.800 -0.086 0.000 2.422 223 G HA2 0.093 4.053 3.960 0.000 0.000 0.218 223 G HA3 0.093 4.053 3.960 0.000 0.000 0.218 223 G C 1.448 176.195 174.900 -0.254 0.000 1.140 223 G CA 1.126 46.054 45.100 -0.287 0.000 0.775 223 G HN 0.680 nan 8.290 nan 0.000 0.545 224 G N 0.207 108.931 108.800 -0.127 0.000 2.421 224 G HA2 -0.118 3.843 3.960 0.000 0.000 0.217 224 G HA3 -0.118 3.843 3.960 0.000 0.000 0.217 224 G C 1.538 176.413 174.900 -0.041 0.000 1.143 224 G CA 1.005 46.076 45.100 -0.049 0.000 0.784 224 G HN 0.408 nan 8.290 nan 0.000 0.541 225 E N 1.005 121.181 120.200 -0.040 0.000 2.110 225 E HA -0.097 4.253 4.350 0.000 0.000 0.193 225 E C 2.570 179.105 176.600 -0.108 0.000 0.988 225 E CA 1.112 57.479 56.400 -0.055 0.000 0.804 225 E CB -0.197 29.475 29.700 -0.046 0.000 0.745 225 E HN 0.333 nan 8.360 nan 0.000 0.458 226 S N 0.075 115.695 115.700 -0.134 0.000 2.368 226 S HA -0.114 4.356 4.470 0.000 0.000 0.225 226 S C 2.133 176.578 174.600 -0.259 0.000 1.030 226 S CA 1.078 59.165 58.200 -0.188 0.000 0.999 226 S CB -0.203 62.847 63.200 -0.250 0.000 0.844 226 S HN 0.128 nan 8.310 nan 0.000 0.459 227 V N 1.235 121.002 119.914 -0.246 0.000 2.332 227 V HA -0.177 3.943 4.120 0.000 0.000 0.248 227 V C 2.581 178.507 176.094 -0.279 0.000 1.055 227 V CA 2.004 64.130 62.300 -0.290 0.000 1.038 227 V CB -0.824 30.876 31.823 -0.205 0.000 0.651 227 V HN 0.530 nan 8.190 nan 0.000 0.450 228 S N -0.437 115.175 115.700 -0.147 0.000 2.359 228 S HA -0.192 4.278 4.470 0.000 0.000 0.224 228 S C 1.988 176.502 174.600 -0.144 0.000 1.035 228 S CA 2.021 60.171 58.200 -0.084 0.000 1.018 228 S CB -0.241 62.968 63.200 0.015 0.000 0.876 228 S HN 0.346 nan 8.310 nan 0.000 0.448 229 V N 2.221 122.013 119.914 -0.203 0.000 2.287 229 V HA -0.166 3.955 4.120 0.000 0.000 0.248 229 V C 2.398 178.356 176.094 -0.226 0.000 1.053 229 V CA 1.878 64.025 62.300 -0.256 0.000 1.027 229 V CB -0.746 30.788 31.823 -0.481 0.000 0.646 229 V HN 0.482 nan 8.190 nan 0.000 0.447 230 L N -0.229 120.837 121.223 -0.262 0.000 2.131 230 L HA -0.137 4.203 4.340 0.000 0.000 0.210 230 L C 2.357 179.189 176.870 -0.064 0.000 1.092 230 L CA 1.002 55.725 54.840 -0.196 0.000 0.759 230 L CB -0.551 41.314 42.059 -0.323 0.000 0.903 230 L HN 0.240 nan 8.230 nan 0.000 0.435 231 V N -0.162 119.679 119.914 -0.121 0.000 2.913 231 V HA -0.204 3.916 4.120 0.000 0.000 0.260 231 V C 1.945 178.134 176.094 0.158 0.000 1.098 231 V CA 1.187 63.523 62.300 0.060 0.000 1.121 231 V CB -0.260 31.459 31.823 -0.173 0.000 0.714 231 V HN 0.408 nan 8.190 nan 0.000 0.487 232 L N -1.000 120.258 121.223 0.059 0.000 2.640 232 L HA 0.247 4.587 4.340 0.000 0.000 0.230 232 L C 0.974 177.861 176.870 0.028 0.000 1.123 232 L CA 0.183 55.054 54.840 0.052 0.000 0.900 232 L CB 0.414 42.460 42.059 -0.023 0.000 1.146 232 L HN 0.197 nan 8.230 nan 0.000 0.484 233 S N -0.090 115.629 115.700 0.032 0.000 2.462 233 S HA 0.345 4.815 4.470 0.000 0.000 0.294 233 S C -1.725 172.910 174.600 0.060 0.000 1.144 233 S CA -1.398 56.814 58.200 0.020 0.000 1.088 233 S CB 1.444 64.633 63.200 -0.018 0.000 1.009 233 S HN -0.127 nan 8.310 nan 0.000 0.484 234 P HA -0.000 nan 4.420 nan 0.000 0.220 234 P C 1.125 178.456 177.300 0.052 0.000 1.148 234 P CA 0.805 63.938 63.100 0.055 0.000 0.803 234 P CB 0.090 31.813 31.700 0.038 0.000 0.782 235 L N -1.348 119.903 121.223 0.047 0.000 2.201 235 L HA -0.084 4.256 4.340 0.000 0.000 0.212 235 L C 2.177 179.085 176.870 0.064 0.000 1.105 235 L CA 1.347 56.218 54.840 0.051 0.000 0.775 235 L CB -0.820 41.268 42.059 0.048 0.000 0.913 235 L HN -0.032 nan 8.230 nan 0.000 0.440 236 A N -0.644 122.226 122.820 0.084 0.000 2.238 236 A HA -0.013 4.307 4.320 0.000 0.000 0.210 236 A C 1.095 178.739 177.584 0.100 0.000 1.179 236 A CA -0.220 51.901 52.037 0.140 0.000 0.827 236 A CB -0.137 18.994 19.000 0.218 0.000 0.856 236 A HN 0.179 nan 8.150 nan 0.000 0.488 237 K N 1.515 121.939 120.400 0.040 0.000 2.491 237 K HA -0.078 4.242 4.320 0.000 0.000 0.279 237 K C -0.354 176.221 176.600 -0.041 0.000 1.026 237 K CA 0.609 56.882 56.287 -0.024 0.000 1.070 237 K CB -0.098 32.434 32.500 0.054 0.000 0.887 237 K HN 0.407 nan 8.250 nan 0.000 0.481 238 N N 2.594 121.220 118.700 -0.123 0.000 2.829 238 N HA -0.201 4.539 4.740 0.000 0.000 0.250 238 N C -0.055 175.366 175.510 -0.148 0.000 1.090 238 N CA 1.012 54.011 53.050 -0.084 0.000 0.781 238 N CB -1.141 37.349 38.487 0.005 0.000 1.124 238 N HN 0.617 nan 8.380 nan 0.000 0.559 239 L N -1.314 119.788 121.223 -0.202 0.000 2.781 239 L HA 0.297 4.637 4.340 0.000 0.000 0.245 239 L C 0.335 177.143 176.870 -0.102 0.000 1.118 239 L CA 0.099 54.895 54.840 -0.073 0.000 0.918 239 L CB 0.192 42.291 42.059 0.067 0.000 1.246 239 L HN 0.170 nan 8.230 nan 0.000 0.526 240 F N -3.869 115.829 119.950 -0.421 0.000 2.643 240 F HA 0.517 5.044 4.527 -0.000 0.000 0.314 240 F C 0.393 175.779 175.800 -0.689 0.000 1.096 240 F CA -0.867 56.846 58.000 -0.478 0.000 0.953 240 F CB 0.867 39.728 39.000 -0.231 0.000 1.345 240 F HN -0.118 nan 8.300 nan 0.000 0.468 241 H N 0.059 119.133 119.070 0.007 0.000 3.233 241 H HA 0.470 5.026 4.556 0.000 0.000 0.263 241 H C -0.439 174.848 175.328 -0.067 0.000 1.168 241 H CA -0.147 55.823 56.048 -0.130 0.000 1.159 241 H CB 0.717 30.423 29.762 -0.093 0.000 1.593 241 H HN 0.574 nan 8.280 nan 0.000 0.580 242 R N 0.114 120.727 120.500 0.190 0.000 2.712 242 R HA 0.697 5.037 4.340 0.000 0.000 0.272 242 R C -1.562 174.865 176.300 0.212 0.000 1.032 242 R CA -0.712 55.432 56.100 0.072 0.000 0.874 242 R CB 2.205 32.363 30.300 -0.237 0.000 1.256 242 R HN 0.121 nan 8.270 nan 0.000 0.468 243 A N 1.653 124.621 122.820 0.247 0.000 2.566 243 A HA 0.731 5.051 4.320 0.000 0.000 0.297 243 A C -1.401 176.385 177.584 0.337 0.000 1.059 243 A CA -0.593 51.525 52.037 0.135 0.000 0.691 243 A CB 1.275 20.144 19.000 -0.218 0.000 1.282 243 A HN 0.550 nan 8.150 nan 0.000 0.401 244 I N 1.095 121.812 120.570 0.244 0.000 2.533 244 I HA 0.464 4.634 4.170 0.000 0.000 0.290 244 I C -0.206 176.059 176.117 0.247 0.000 1.056 244 I CA -0.513 60.893 61.300 0.178 0.000 1.057 244 I CB 2.526 40.528 38.000 0.004 0.000 1.240 244 I HN 0.494 nan 8.210 nan 0.000 0.423 245 S N 4.409 120.239 115.700 0.216 0.000 2.530 245 S HA 0.327 4.797 4.470 0.000 0.000 0.322 245 S C -0.559 174.150 174.600 0.181 0.000 1.085 245 S CA -0.654 57.651 58.200 0.175 0.000 1.096 245 S CB 1.009 64.301 63.200 0.153 0.000 0.988 245 S HN 0.488 nan 8.310 nan 0.000 0.466 246 E N 2.003 122.351 120.200 0.247 0.000 1.993 246 E HA 0.327 4.677 4.350 0.000 0.000 0.271 246 E C -0.531 176.190 176.600 0.203 0.000 1.008 246 E CA -0.448 56.145 56.400 0.321 0.000 0.814 246 E CB 0.625 30.585 29.700 0.433 0.000 1.098 246 E HN 0.649 nan 8.360 nan 0.000 0.407 247 S N 1.852 117.647 115.700 0.159 0.000 3.766 247 S HA -0.094 4.376 4.470 0.000 0.000 0.416 247 S C 0.005 174.841 174.600 0.393 0.000 0.902 247 S CA 0.411 58.744 58.200 0.221 0.000 1.283 247 S CB -1.088 62.186 63.200 0.123 0.000 0.891 247 S HN 0.938 nan 8.310 nan 0.000 0.556 248 G N -0.758 108.209 108.800 0.278 0.000 2.146 248 G HA2 0.513 4.473 3.960 0.000 0.000 0.261 248 G HA3 0.513 4.473 3.960 0.000 0.000 0.261 248 G C -0.780 174.162 174.900 0.070 0.000 1.745 248 G CA 0.168 45.386 45.100 0.197 0.000 0.905 248 G HN 1.546 nan 8.290 nan 0.000 0.746 249 V N -0.621 119.297 119.914 0.007 0.000 3.076 249 V HA 0.958 5.078 4.120 0.000 0.000 0.311 249 V C 1.453 177.519 176.094 -0.047 0.000 1.346 249 V CA 0.115 62.412 62.300 -0.005 0.000 1.056 249 V CB 0.868 32.685 31.823 -0.009 0.000 1.093 249 V HN 2.061 nan 8.190 nan 0.000 0.468 250 A N -0.452 122.346 122.820 -0.036 0.000 1.873 250 A HA 0.050 4.370 4.320 0.000 0.000 0.215 250 A C 1.832 179.363 177.584 -0.088 0.000 1.186 250 A CA 2.031 54.028 52.037 -0.066 0.000 0.616 250 A CB -0.957 18.014 19.000 -0.049 0.000 0.823 250 A HN 0.888 nan 8.150 nan 0.000 0.442 251 L N -0.020 121.154 121.223 -0.082 0.000 2.353 251 L HA -0.078 4.262 4.340 0.000 0.000 0.220 251 L C 0.866 177.647 176.870 -0.149 0.000 1.133 251 L CA 0.693 55.470 54.840 -0.105 0.000 0.798 251 L CB -1.070 40.938 42.059 -0.084 0.000 0.922 251 L HN 0.152 nan 8.230 nan 0.000 0.445 252 T N 0.810 115.267 114.554 -0.161 0.000 4.454 252 T HA -0.028 4.322 4.350 0.000 0.000 0.208 252 T C 1.486 176.058 174.700 -0.214 0.000 0.828 252 T CA 0.202 62.167 62.100 -0.225 0.000 1.476 252 T CB -0.283 68.445 68.868 -0.232 0.000 1.336 252 T HN 0.342 nan 8.240 nan 0.000 0.895 253 S N 1.893 117.463 115.700 -0.216 0.000 2.451 253 S HA -0.250 4.220 4.470 0.000 0.000 0.272 253 S C 2.341 176.822 174.600 -0.198 0.000 1.136 253 S CA 1.704 59.779 58.200 -0.209 0.000 1.209 253 S CB -0.991 62.060 63.200 -0.248 0.000 1.130 253 S HN 0.673 nan 8.310 nan 0.000 0.440 254 V N 1.841 121.623 119.914 -0.221 0.000 2.357 254 V HA -0.229 3.891 4.120 0.000 0.000 0.257 254 V C 1.600 177.598 176.094 -0.159 0.000 1.082 254 V CA 2.211 64.397 62.300 -0.190 0.000 1.078 254 V CB -0.497 31.205 31.823 -0.201 0.000 0.663 254 V HN 0.598 nan 8.190 nan 0.000 0.455 255 L N -0.313 120.812 121.223 -0.164 0.000 2.592 255 L HA 0.215 4.555 4.340 0.000 0.000 0.227 255 L C 0.251 177.022 176.870 -0.164 0.000 1.127 255 L CA -0.124 54.615 54.840 -0.168 0.000 0.884 255 L CB 0.511 42.477 42.059 -0.155 0.000 1.065 255 L HN 0.200 nan 8.230 nan 0.000 0.457 256 V N 1.205 121.032 119.914 -0.144 0.000 2.289 256 V HA 0.198 4.318 4.120 0.000 0.000 0.272 256 V C 0.091 176.116 176.094 -0.115 0.000 1.026 256 V CA -0.983 61.243 62.300 -0.122 0.000 0.807 256 V CB 0.991 32.744 31.823 -0.116 0.000 1.044 256 V HN 0.109 nan 8.190 nan 0.000 0.443 257 K N 4.222 124.559 120.400 -0.105 0.000 2.451 257 K HA 0.346 4.666 4.320 0.000 0.000 0.280 257 K C -0.300 176.250 176.600 -0.082 0.000 1.020 257 K CA 0.064 56.297 56.287 -0.090 0.000 1.008 257 K CB 0.996 33.447 32.500 -0.080 0.000 0.917 257 K HN 0.558 nan 8.250 nan 0.000 0.478 258 K N 0.466 120.820 120.400 -0.077 0.000 2.385 258 K HA 0.600 4.920 4.320 0.000 0.000 0.248 258 K C 0.073 176.640 176.600 -0.055 0.000 0.955 258 K CA -0.648 55.598 56.287 -0.069 0.000 0.816 258 K CB 2.094 34.548 32.500 -0.078 0.000 1.250 258 K HN 0.796 nan 8.250 nan 0.000 0.434 259 G N 1.422 110.193 108.800 -0.048 0.000 2.512 259 G HA2 -0.219 3.741 3.960 0.000 0.000 0.210 259 G HA3 -0.219 3.741 3.960 0.000 0.000 0.210 259 G C -1.425 173.452 174.900 -0.038 0.000 1.295 259 G CA -0.433 44.645 45.100 -0.037 0.000 0.934 259 G HN 0.690 nan 8.290 nan 0.000 0.554 260 D N -0.437 119.945 120.400 -0.031 0.000 2.317 260 D HA 0.499 5.139 4.640 0.000 0.000 0.252 260 D C 1.390 177.666 176.300 -0.040 0.000 1.174 260 D CA 0.273 54.253 54.000 -0.033 0.000 0.866 260 D CB 1.429 42.215 40.800 -0.023 0.000 1.127 260 D HN 0.499 nan 8.370 nan 0.000 0.467 261 V N 4.146 124.026 119.914 -0.057 0.000 3.506 261 V HA -0.037 4.083 4.120 0.000 0.000 0.263 261 V C 2.172 178.219 176.094 -0.079 0.000 1.203 261 V CA 0.388 62.643 62.300 -0.074 0.000 1.133 261 V CB -0.379 31.379 31.823 -0.109 0.000 0.802 261 V HN 0.490 nan 8.190 nan 0.000 0.459 262 K N 1.596 121.959 120.400 -0.062 0.000 2.059 262 K HA -0.184 4.136 4.320 0.000 0.000 0.212 262 K C -0.362 176.223 176.600 -0.025 0.000 1.050 262 K CA 2.201 58.460 56.287 -0.047 0.000 0.927 262 K CB -1.465 31.021 32.500 -0.023 0.000 0.714 262 K HN 0.337 nan 8.250 nan 0.000 0.447 263 P HA -0.179 nan 4.420 nan 0.000 0.215 263 P C 1.347 178.654 177.300 0.013 0.000 1.153 263 P CA 0.954 64.055 63.100 0.002 0.000 0.853 263 P CB -0.003 31.698 31.700 0.001 0.000 0.788 264 L N -0.777 120.450 121.223 0.007 0.000 2.093 264 L HA -0.103 4.237 4.340 0.000 0.000 0.208 264 L C 2.024 178.926 176.870 0.053 0.000 1.085 264 L CA 2.049 56.910 54.840 0.036 0.000 0.755 264 L CB -1.248 40.829 42.059 0.030 0.000 0.904 264 L HN -0.054 nan 8.230 nan 0.000 0.435 265 A N 0.043 122.858 122.820 -0.010 0.000 1.883 265 A HA -0.267 4.053 4.320 0.000 0.000 0.217 265 A C 2.049 179.720 177.584 0.145 0.000 1.186 265 A CA 1.935 53.978 52.037 0.009 0.000 0.624 265 A CB -0.544 18.359 19.000 -0.161 0.000 0.822 265 A HN 0.578 nan 8.150 nan 0.000 0.444 266 E N -0.633 119.613 120.200 0.077 0.000 2.051 266 E HA -0.221 4.129 4.350 0.000 0.000 0.192 266 E C 2.329 178.970 176.600 0.067 0.000 0.991 266 E CA 1.298 57.740 56.400 0.070 0.000 0.799 266 E CB -0.203 29.521 29.700 0.040 0.000 0.748 266 E HN 0.713 nan 8.360 nan 0.000 0.449 267 Q N 0.245 120.082 119.800 0.061 0.000 2.112 267 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 267 Q C 2.234 178.276 176.000 0.068 0.000 0.987 267 Q CA 1.269 57.102 55.803 0.050 0.000 0.858 267 Q CB -0.123 28.642 28.738 0.045 0.000 0.905 267 Q HN 0.387 nan 8.270 nan 0.000 0.420 268 I N 0.026 120.670 120.570 0.124 0.000 2.286 268 I HA -0.221 3.949 4.170 0.000 0.000 0.245 268 I C 2.425 178.592 176.117 0.083 0.000 1.104 268 I CA 0.757 62.146 61.300 0.149 0.000 1.397 268 I CB -0.479 37.688 38.000 0.279 0.000 1.072 268 I HN 0.147 nan 8.210 nan 0.000 0.417 269 A N 1.532 124.407 122.820 0.091 0.000 1.883 269 A HA -0.189 4.131 4.320 0.000 0.000 0.217 269 A C 2.304 179.892 177.584 0.007 0.000 1.186 269 A CA 1.608 53.660 52.037 0.025 0.000 0.624 269 A CB -0.865 18.165 19.000 0.049 0.000 0.822 269 A HN 0.370 nan 8.150 nan 0.000 0.444 270 I N -0.505 120.077 120.570 0.020 0.000 2.179 270 I HA -0.236 3.935 4.170 0.000 0.000 0.242 270 I C 2.552 178.670 176.117 0.001 0.000 1.088 270 I CA 1.804 63.109 61.300 0.008 0.000 1.357 270 I CB -0.903 37.103 38.000 0.011 0.000 1.051 270 I HN 0.249 nan 8.210 nan 0.000 0.409 271 T N 0.877 115.434 114.554 0.004 0.000 2.759 271 T HA -0.165 4.185 4.350 0.000 0.000 0.269 271 T C 1.817 176.512 174.700 -0.008 0.000 1.042 271 T CA 1.504 63.601 62.100 -0.004 0.000 1.140 271 T CB -0.270 68.595 68.868 -0.005 0.000 0.864 271 T HN 0.507 nan 8.240 nan 0.000 0.455 272 A N 0.294 123.105 122.820 -0.014 0.000 2.208 272 A HA 0.504 4.824 4.320 0.000 0.000 0.209 272 A C 1.706 179.273 177.584 -0.030 0.000 1.161 272 A CA 0.715 52.733 52.037 -0.030 0.000 0.782 272 A CB -0.612 18.351 19.000 -0.062 0.000 0.816 272 A HN 0.801 nan 8.150 nan 0.000 0.477 273 G N -1.687 107.100 108.800 -0.021 0.000 2.255 273 G HA2 -0.188 3.772 3.960 0.000 0.000 0.239 273 G HA3 -0.188 3.772 3.960 0.000 0.000 0.239 273 G C -0.055 174.832 174.900 -0.022 0.000 1.083 273 G CA -0.053 45.036 45.100 -0.018 0.000 0.826 273 G HN 0.587 nan 8.290 nan 0.000 0.493 274 c N -0.338 118.248 118.600 -0.022 0.000 2.595 274 c HA 0.767 5.337 4.570 0.000 0.000 0.338 274 c C 1.076 175.163 174.090 -0.006 0.000 1.219 274 c CA -0.886 55.430 56.329 -0.022 0.000 1.811 274 c CB 1.702 44.188 42.510 -0.040 0.000 2.313 274 c HN 0.602 nan 8.230 nan 0.000 0.499 275 K N 0.175 120.575 120.400 0.000 0.000 2.273 275 K HA 0.432 4.753 4.320 0.000 0.000 0.240 275 K C 0.472 177.080 176.600 0.013 0.000 1.056 275 K CA 0.180 56.472 56.287 0.008 0.000 0.910 275 K CB 0.357 32.864 32.500 0.012 0.000 1.196 275 K HN 0.868 nan 8.250 nan 0.000 0.509 276 T N -3.461 111.103 114.554 0.016 0.000 3.567 276 T HA 0.069 4.419 4.350 0.000 0.000 0.314 276 T C 0.929 175.640 174.700 0.019 0.000 0.942 276 T CA -0.443 61.671 62.100 0.022 0.000 0.997 276 T CB 0.052 68.935 68.868 0.025 0.000 1.205 276 T HN 0.420 nan 8.240 nan 0.000 0.518 277 T N 3.022 117.584 114.554 0.013 0.000 2.635 277 T HA -0.037 4.313 4.350 0.000 0.000 0.267 277 T C 1.172 175.876 174.700 0.008 0.000 1.040 277 T CA 2.100 64.205 62.100 0.008 0.000 1.156 277 T CB -0.414 68.456 68.868 0.003 0.000 0.863 277 T HN 0.874 nan 8.240 nan 0.000 0.430 278 T N -2.300 112.257 114.554 0.005 0.000 2.843 278 T HA 0.508 4.858 4.350 0.000 0.000 0.302 278 T C 0.920 175.624 174.700 0.007 0.000 1.232 278 T CA -0.455 61.647 62.100 0.003 0.000 1.009 278 T CB 1.827 70.682 68.868 -0.023 0.000 1.254 278 T HN -0.150 nan 8.240 nan 0.000 0.504 279 S N 0.682 116.403 115.700 0.035 0.000 2.365 279 S HA -0.123 4.347 4.470 0.000 0.000 0.225 279 S C 2.494 177.099 174.600 0.008 0.000 1.039 279 S CA 1.654 59.897 58.200 0.071 0.000 1.033 279 S CB -1.001 62.301 63.200 0.170 0.000 0.887 279 S HN 0.979 nan 8.310 nan 0.000 0.447 280 A N 1.007 123.701 122.820 -0.209 0.000 1.940 280 A HA -0.082 4.238 4.320 0.000 0.000 0.219 280 A C 2.345 179.874 177.584 -0.091 0.000 1.176 280 A CA 1.694 53.523 52.037 -0.346 0.000 0.631 280 A CB -0.901 17.682 19.000 -0.695 0.000 0.814 280 A HN 0.362 nan 8.150 nan 0.000 0.446 281 V N -0.186 119.694 119.914 -0.056 0.000 2.307 281 V HA -0.322 3.798 4.120 0.000 0.000 0.245 281 V C 2.627 178.750 176.094 0.049 0.000 1.045 281 V CA 2.199 64.509 62.300 0.016 0.000 1.024 281 V CB -0.746 31.079 31.823 0.004 0.000 0.651 281 V HN 0.572 nan 8.190 nan 0.000 0.449 282 M N -0.431 119.191 119.600 0.036 0.000 2.065 282 M HA -0.187 4.293 4.480 0.000 0.000 0.259 282 M C 2.271 178.557 176.300 -0.022 0.000 1.071 282 M CA 1.916 57.235 55.300 0.032 0.000 1.109 282 M CB -0.614 32.048 32.600 0.104 0.000 1.313 282 M HN 0.246 nan 8.290 nan 0.000 0.408 283 V N -0.420 119.509 119.914 0.026 0.000 2.287 283 V HA -0.319 3.801 4.120 0.000 0.000 0.248 283 V C 2.301 178.394 176.094 -0.002 0.000 1.053 283 V CA 2.498 64.776 62.300 -0.037 0.000 1.027 283 V CB -1.187 30.696 31.823 0.100 0.000 0.646 283 V HN 0.520 nan 8.190 nan 0.000 0.447 284 H N -0.820 118.233 119.070 -0.028 0.000 2.387 284 H HA -0.223 4.333 4.556 0.000 0.000 0.299 284 H C 2.300 177.615 175.328 -0.021 0.000 1.099 284 H CA 2.235 58.273 56.048 -0.016 0.000 1.315 284 H CB -0.552 29.193 29.762 -0.029 0.000 1.380 284 H HN 0.486 nan 8.280 nan 0.000 0.513 285 c N -0.444 118.071 118.600 -0.142 0.000 2.476 285 c HA 0.018 4.588 4.570 0.000 0.000 0.278 285 c C 2.754 176.742 174.090 -0.170 0.000 1.274 285 c CA 0.686 56.909 56.329 -0.178 0.000 1.713 285 c CB -1.352 41.113 42.510 -0.075 0.000 2.039 285 c HN 0.656 nan 8.230 nan 0.000 0.484 286 L N 0.511 121.630 121.223 -0.173 0.000 2.141 286 L HA -0.067 4.274 4.340 0.000 0.000 0.209 286 L C 2.960 179.831 176.870 0.002 0.000 1.094 286 L CA 1.159 55.906 54.840 -0.156 0.000 0.763 286 L CB -0.671 41.139 42.059 -0.415 0.000 0.908 286 L HN 0.322 nan 8.230 nan 0.000 0.437 287 R N 0.047 120.568 120.500 0.035 0.000 2.159 287 R HA -0.176 4.164 4.340 0.000 0.000 0.237 287 R C 1.989 178.234 176.300 -0.092 0.000 1.131 287 R CA 1.184 57.296 56.100 0.021 0.000 0.982 287 R CB -0.227 30.078 30.300 0.008 0.000 0.868 287 R HN 0.582 nan 8.270 nan 0.000 0.453 288 Q N -0.018 119.693 119.800 -0.149 0.000 2.398 288 Q HA 0.038 4.378 4.340 0.000 0.000 0.204 288 Q C 0.218 176.165 176.000 -0.088 0.000 0.932 288 Q CA 0.340 56.060 55.803 -0.139 0.000 0.916 288 Q CB 0.343 28.963 28.738 -0.196 0.000 1.024 288 Q HN 0.014 nan 8.270 nan 0.000 0.504 289 K N 1.792 122.143 120.400 -0.081 0.000 2.187 289 K HA 0.078 4.398 4.320 0.000 0.000 0.247 289 K C 0.514 177.097 176.600 -0.029 0.000 1.019 289 K CA 0.275 56.528 56.287 -0.057 0.000 0.893 289 K CB 0.360 32.818 32.500 -0.071 0.000 1.025 289 K HN 0.112 nan 8.250 nan 0.000 0.500 290 T N -3.192 111.361 114.554 -0.000 0.000 2.943 290 T HA 0.152 4.502 4.350 0.000 0.000 0.284 290 T C 1.261 176.019 174.700 0.098 0.000 1.015 290 T CA -0.761 61.359 62.100 0.034 0.000 1.042 290 T CB 1.604 70.488 68.868 0.026 0.000 1.055 290 T HN 0.609 nan 8.240 nan 0.000 0.500 291 E N 0.707 120.995 120.200 0.148 0.000 2.086 291 E HA -0.283 4.067 4.350 0.000 0.000 0.200 291 E C 1.758 178.512 176.600 0.256 0.000 1.012 291 E CA 1.969 58.537 56.400 0.280 0.000 0.812 291 E CB -0.106 29.677 29.700 0.139 0.000 0.743 291 E HN 0.845 nan 8.360 nan 0.000 0.453 292 E N -0.111 120.169 120.200 0.133 0.000 2.153 292 E HA -0.185 4.165 4.350 0.000 0.000 0.194 292 E C 2.069 178.729 176.600 0.101 0.000 0.988 292 E CA 1.165 57.630 56.400 0.107 0.000 0.811 292 E CB 0.024 29.759 29.700 0.058 0.000 0.746 292 E HN 0.409 nan 8.360 nan 0.000 0.466 293 E N 0.566 120.810 120.200 0.074 0.000 2.072 293 E HA -0.150 4.200 4.350 0.000 0.000 0.191 293 E C 2.216 178.837 176.600 0.035 0.000 0.985 293 E CA 0.723 57.146 56.400 0.039 0.000 0.801 293 E CB -0.054 29.651 29.700 0.009 0.000 0.750 293 E HN 0.278 nan 8.360 nan 0.000 0.452 294 L N 0.688 121.931 121.223 0.032 0.000 2.156 294 L HA -0.134 4.206 4.340 0.000 0.000 0.208 294 L C 2.532 179.452 176.870 0.083 0.000 1.095 294 L CA 0.242 55.029 54.840 -0.087 0.000 0.770 294 L CB -0.253 41.561 42.059 -0.408 0.000 0.914 294 L HN 0.169 nan 8.230 nan 0.000 0.439 295 L N 0.707 122.111 121.223 0.301 0.000 2.056 295 L HA -0.198 4.142 4.340 0.000 0.000 0.207 295 L C 2.514 179.499 176.870 0.192 0.000 1.078 295 L CA 1.965 57.017 54.840 0.353 0.000 0.749 295 L CB -0.598 41.630 42.059 0.280 0.000 0.901 295 L HN 0.415 nan 8.230 nan 0.000 0.433 296 E N -1.987 118.287 120.200 0.124 0.000 2.208 296 E HA -0.165 4.185 4.350 0.000 0.000 0.193 296 E C 1.613 178.253 176.600 0.067 0.000 0.988 296 E CA 1.446 57.894 56.400 0.080 0.000 0.828 296 E CB -0.567 29.164 29.700 0.052 0.000 0.763 296 E HN 0.441 nan 8.360 nan 0.000 0.478 297 T N 0.598 115.191 114.554 0.065 0.000 2.857 297 T HA -0.095 4.255 4.350 0.000 0.000 0.266 297 T C 1.828 176.587 174.700 0.098 0.000 1.048 297 T CA 1.686 63.816 62.100 0.049 0.000 1.139 297 T CB -0.359 68.521 68.868 0.019 0.000 0.874 297 T HN 0.284 nan 8.240 nan 0.000 0.455 298 T N 2.659 117.321 114.554 0.179 0.000 2.708 298 T HA 0.028 4.378 4.350 0.000 0.000 0.266 298 T C 1.961 176.798 174.700 0.228 0.000 1.037 298 T CA 0.908 63.211 62.100 0.339 0.000 1.146 298 T CB -0.477 68.616 68.868 0.374 0.000 0.865 298 T HN 0.253 nan 8.240 nan 0.000 0.435 299 L N 0.366 121.677 121.223 0.148 0.000 2.131 299 L HA -0.084 4.256 4.340 0.000 0.000 0.210 299 L C 2.608 179.486 176.870 0.015 0.000 1.092 299 L CA 1.264 56.156 54.840 0.087 0.000 0.759 299 L CB -0.432 41.672 42.059 0.074 0.000 0.903 299 L HN 0.232 nan 8.230 nan 0.000 0.435 300 K N -0.627 119.767 120.400 -0.010 0.000 2.167 300 K HA -0.044 4.276 4.320 0.000 0.000 0.203 300 K C 2.076 178.587 176.600 -0.149 0.000 1.052 300 K CA 0.884 57.136 56.287 -0.058 0.000 0.956 300 K CB -0.009 32.466 32.500 -0.041 0.000 0.735 300 K HN 0.210 nan 8.250 nan 0.000 0.451 301 M N 1.007 120.441 119.600 -0.277 0.000 2.374 301 M HA -0.066 4.414 4.480 0.000 0.000 0.264 301 M C 0.108 176.059 176.300 -0.582 0.000 1.067 301 M CA 1.107 56.046 55.300 -0.603 0.000 1.103 301 M CB -0.691 31.087 32.600 -1.369 0.000 1.402 301 M HN 0.061 nan 8.290 nan 0.000 0.444 302 K N -0.029 120.171 120.400 -0.334 0.000 3.278 302 K HA -0.214 4.106 4.320 0.000 0.000 0.270 302 K C 0.371 176.903 176.600 -0.114 0.000 0.955 302 K CA 0.080 56.282 56.287 -0.142 0.000 0.723 302 K CB -2.256 30.186 32.500 -0.096 0.000 1.382 302 K HN 0.214 nan 8.250 nan 0.000 0.461 303 F N -0.007 119.967 119.950 0.041 0.000 2.126 303 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 303 F C 2.329 178.149 175.800 0.033 0.000 1.096 303 F CA 1.454 59.478 58.000 0.039 0.000 1.255 303 F CB -0.282 38.752 39.000 0.055 0.000 0.997 303 F HN 0.154 nan 8.300 nan 0.000 0.479 304 L N -0.895 120.466 121.223 0.229 0.000 1.976 304 L HA -0.160 4.180 4.340 0.000 0.000 0.209 304 L C 1.385 178.310 176.870 0.091 0.000 1.071 304 L CA 0.743 55.665 54.840 0.137 0.000 0.746 304 L CB -1.057 41.066 42.059 0.108 0.000 0.890 304 L HN -0.063 nan 8.230 nan 0.000 0.432 305 S N 0.313 116.052 115.700 0.065 0.000 2.579 305 S HA 0.232 4.702 4.470 0.000 0.000 0.275 305 S C -0.261 174.366 174.600 0.046 0.000 1.345 305 S CA -0.468 57.760 58.200 0.047 0.000 1.031 305 S CB 1.090 64.304 63.200 0.024 0.000 0.892 305 S HN 0.069 nan 8.310 nan 0.000 0.529 306 L N 3.070 124.324 121.223 0.052 0.000 2.264 306 L HA 0.400 4.740 4.340 0.000 0.000 0.289 306 L C -0.375 176.498 176.870 0.006 0.000 1.044 306 L CA -0.466 54.400 54.840 0.043 0.000 0.807 306 L CB 0.883 42.992 42.059 0.085 0.000 1.192 306 L HN 0.484 nan 8.230 nan 0.000 0.425 307 D N 3.710 124.104 120.400 -0.010 0.000 2.383 307 D HA 0.078 4.718 4.640 0.000 0.000 0.252 307 D C 0.923 177.203 176.300 -0.035 0.000 1.166 307 D CA 0.330 54.315 54.000 -0.024 0.000 0.879 307 D CB 0.856 41.638 40.800 -0.031 0.000 1.164 307 D HN 0.639 nan 8.370 nan 0.000 0.462 308 L N 2.441 123.643 121.223 -0.035 0.000 2.270 308 L HA 0.013 4.353 4.340 0.000 0.000 0.210 308 L C 1.404 178.256 176.870 -0.030 0.000 1.104 308 L CA 0.431 55.246 54.840 -0.041 0.000 0.804 308 L CB -0.254 41.781 42.059 -0.041 0.000 0.937 308 L HN 0.572 nan 8.230 nan 0.000 0.450 309 Q N -0.537 119.249 119.800 -0.023 0.000 2.286 309 Q HA 0.615 4.955 4.340 0.000 0.000 0.250 309 Q C 0.141 176.132 176.000 -0.015 0.000 1.021 309 Q CA -0.224 55.572 55.803 -0.013 0.000 0.930 309 Q CB 1.635 30.369 28.738 -0.007 0.000 1.266 309 Q HN 0.023 nan 8.270 nan 0.000 0.491 310 G N 0.685 109.484 108.800 -0.002 0.000 2.829 310 G HA2 -0.221 3.739 3.960 0.000 0.000 0.628 310 G HA3 -0.221 3.739 3.960 0.000 0.000 0.628 310 G C -1.050 173.849 174.900 -0.001 0.000 1.412 310 G CA -0.181 44.918 45.100 -0.002 0.000 0.864 310 G HN 0.885 nan 8.290 nan 0.000 0.544 311 D N 0.908 121.310 120.400 0.004 0.000 2.417 311 D HA 0.237 4.877 4.640 0.000 0.000 0.250 311 D C -0.444 175.810 176.300 -0.078 0.000 1.166 311 D CA -0.938 53.067 54.000 0.008 0.000 0.881 311 D CB 1.067 41.883 40.800 0.026 0.000 1.164 311 D HN 0.027 nan 8.370 nan 0.000 0.467 312 P HA -0.160 nan 4.420 nan 0.000 0.213 312 P C 1.186 178.302 177.300 -0.307 0.000 1.176 312 P CA 1.409 64.273 63.100 -0.393 0.000 0.919 312 P CB 0.173 31.268 31.700 -1.007 0.000 0.791 313 R N -0.296 119.960 120.500 -0.406 0.000 2.170 313 R HA -0.175 4.165 4.340 0.000 0.000 0.242 313 R C 2.199 178.463 176.300 -0.060 0.000 1.145 313 R CA 1.321 57.278 56.100 -0.238 0.000 0.984 313 R CB -0.544 29.590 30.300 -0.276 0.000 0.869 313 R HN 0.442 nan 8.270 nan 0.000 0.455 314 E N 0.248 120.410 120.200 -0.064 0.000 2.076 314 E HA 0.003 4.353 4.350 0.000 0.000 0.190 314 E C 0.392 176.980 176.600 -0.021 0.000 0.979 314 E CA 0.035 56.419 56.400 -0.026 0.000 0.807 314 E CB 0.051 29.738 29.700 -0.022 0.000 0.761 314 E HN 0.038 nan 8.360 nan 0.000 0.454 315 S N 1.923 117.600 115.700 -0.038 0.000 2.952 315 S HA -0.171 4.299 4.470 0.000 0.000 0.351 315 S C 0.170 174.763 174.600 -0.011 0.000 1.211 315 S CA 0.162 58.343 58.200 -0.030 0.000 1.002 315 S CB 0.124 63.299 63.200 -0.042 0.000 0.702 315 S HN 0.224 nan 8.310 nan 0.000 0.495 316 Q N 5.268 125.058 119.800 -0.017 0.000 2.308 316 Q HA 0.099 4.439 4.340 0.000 0.000 0.313 316 Q C -2.125 173.898 176.000 0.038 0.000 1.075 316 Q CA -0.060 55.740 55.803 -0.006 0.000 0.995 316 Q CB 0.066 28.770 28.738 -0.058 0.000 1.107 316 Q HN 0.287 nan 8.270 nan 0.000 0.380 317 P HA 0.117 nan 4.420 nan 0.000 0.282 317 P C -1.292 176.134 177.300 0.210 0.000 1.273 317 P CA -0.038 63.121 63.100 0.097 0.000 0.809 317 P CB 0.407 32.159 31.700 0.086 0.000 1.246 318 L N -2.617 118.715 121.223 0.181 0.000 2.622 318 L HA 0.457 4.797 4.340 0.000 0.000 0.258 318 L C -0.530 176.351 176.870 0.019 0.000 0.996 318 L CA -0.763 54.193 54.840 0.193 0.000 0.858 318 L CB 0.319 42.432 42.059 0.091 0.000 1.449 318 L HN 0.153 nan 8.230 nan 0.000 0.411 319 L N -1.083 120.075 121.223 -0.108 0.000 2.358 319 L HA 1.132 5.472 4.340 0.000 0.000 0.268 319 L C 0.225 176.985 176.870 -0.183 0.000 1.032 319 L CA -0.329 54.458 54.840 -0.088 0.000 0.805 319 L CB 1.431 43.472 42.059 -0.032 0.000 1.253 319 L HN 0.835 nan 8.230 nan 0.000 0.452 320 G N -0.190 108.491 108.800 -0.197 0.000 2.474 320 G HA2 0.242 4.202 3.960 0.000 0.000 0.234 320 G HA3 0.242 4.202 3.960 0.000 0.000 0.234 320 G C -1.051 173.693 174.900 -0.259 0.000 1.204 320 G CA -0.470 44.356 45.100 -0.457 0.000 0.939 320 G HN 0.596 nan 8.290 nan 0.000 0.491 321 T N 0.863 115.291 114.554 -0.210 0.000 2.934 321 T HA 0.436 4.786 4.350 0.000 0.000 0.306 321 T C 0.514 175.201 174.700 -0.022 0.000 1.042 321 T CA 0.787 62.906 62.100 0.031 0.000 1.145 321 T CB 0.645 69.560 68.868 0.079 0.000 0.982 321 T HN 1.540 nan 8.240 nan 0.000 0.544 322 V N 0.709 120.619 119.914 -0.006 0.000 3.102 322 V HA 0.605 4.726 4.120 0.000 0.000 0.312 322 V C -0.479 175.581 176.094 -0.058 0.000 1.135 322 V CA -1.320 60.947 62.300 -0.055 0.000 1.022 322 V CB 1.896 33.670 31.823 -0.082 0.000 1.056 322 V HN 0.598 nan 8.190 nan 0.000 0.436 323 I N 3.818 124.348 120.570 -0.067 0.000 2.227 323 I HA 0.231 4.401 4.170 0.000 0.000 0.297 323 I C 0.979 177.057 176.117 -0.066 0.000 1.173 323 I CA 0.133 61.395 61.300 -0.064 0.000 1.356 323 I CB -0.200 37.763 38.000 -0.061 0.000 1.485 323 I HN 0.970 nan 8.210 nan 0.000 0.604 324 D N 3.288 123.645 120.400 -0.072 0.000 2.347 324 D HA -0.043 4.597 4.640 0.000 0.000 0.213 324 D C 1.396 177.664 176.300 -0.053 0.000 0.985 324 D CA 0.838 54.791 54.000 -0.078 0.000 0.879 324 D CB 0.308 41.040 40.800 -0.113 0.000 0.919 324 D HN 0.638 nan 8.370 nan 0.000 0.526 325 G N 0.069 108.842 108.800 -0.044 0.000 2.148 325 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 325 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 325 G C 0.814 175.702 174.900 -0.020 0.000 0.981 325 G CA 0.719 45.801 45.100 -0.031 0.000 0.670 325 G HN 0.343 nan 8.290 nan 0.000 0.528 326 M N -2.123 117.465 119.600 -0.021 0.000 2.274 326 M HA 0.373 4.853 4.480 0.000 0.000 0.214 326 M C 1.973 178.272 176.300 -0.002 0.000 1.526 326 M CA 0.777 56.075 55.300 -0.003 0.000 1.043 326 M CB -0.402 32.203 32.600 0.008 0.000 1.505 326 M HN 0.225 nan 8.290 nan 0.000 0.561 327 L N 0.391 121.604 121.223 -0.016 0.000 2.286 327 L HA 0.376 4.716 4.340 0.000 0.000 0.203 327 L C 0.077 176.924 176.870 -0.039 0.000 1.068 327 L CA 1.061 55.890 54.840 -0.018 0.000 0.811 327 L CB 0.588 42.640 42.059 -0.012 0.000 0.989 327 L HN 0.066 nan 8.230 nan 0.000 0.467 328 L N 0.143 121.338 121.223 -0.047 0.000 2.381 328 L HA 0.292 4.632 4.340 0.000 0.000 0.274 328 L C 0.155 176.996 176.870 -0.049 0.000 0.988 328 L CA -0.364 54.442 54.840 -0.057 0.000 0.824 328 L CB 2.116 44.132 42.059 -0.072 0.000 1.263 328 L HN 0.039 nan 8.230 nan 0.000 0.410 329 L N 2.824 124.019 121.223 -0.046 0.000 2.567 329 L HA 0.170 4.510 4.340 0.000 0.000 0.225 329 L C 0.452 177.294 176.870 -0.048 0.000 1.119 329 L CA 0.475 55.290 54.840 -0.042 0.000 0.871 329 L CB -0.223 41.815 42.059 -0.036 0.000 1.036 329 L HN 0.641 nan 8.230 nan 0.000 0.459 330 K N -1.855 118.511 120.400 -0.056 0.000 2.755 330 K HA 0.280 4.601 4.320 0.000 0.000 0.294 330 K C -0.527 176.033 176.600 -0.066 0.000 1.060 330 K CA -0.764 55.489 56.287 -0.058 0.000 0.845 330 K CB 0.506 32.972 32.500 -0.057 0.000 1.539 330 K HN -0.158 nan 8.250 nan 0.000 0.379 331 T N -1.717 112.798 114.554 -0.066 0.000 2.903 331 T HA 0.141 4.491 4.350 0.000 0.000 0.314 331 T C -1.852 172.803 174.700 -0.074 0.000 1.078 331 T CA -0.789 61.268 62.100 -0.071 0.000 1.114 331 T CB 0.521 69.347 68.868 -0.071 0.000 0.987 331 T HN 0.307 nan 8.240 nan 0.000 0.548 332 P HA -0.061 nan 4.420 nan 0.000 0.216 332 P C 1.285 178.548 177.300 -0.062 0.000 1.150 332 P CA 0.961 64.019 63.100 -0.069 0.000 0.837 332 P CB 0.024 31.683 31.700 -0.069 0.000 0.786 333 E N -0.372 119.789 120.200 -0.064 0.000 2.209 333 E HA -0.192 4.158 4.350 0.000 0.000 0.196 333 E C 1.776 178.345 176.600 -0.053 0.000 0.993 333 E CA 1.242 57.609 56.400 -0.055 0.000 0.819 333 E CB -0.566 29.097 29.700 -0.063 0.000 0.745 333 E HN 0.471 nan 8.360 nan 0.000 0.477 334 E N -0.374 119.789 120.200 -0.061 0.000 2.127 334 E HA 0.063 4.413 4.350 0.000 0.000 0.191 334 E C 1.986 178.536 176.600 -0.083 0.000 0.964 334 E CA 0.170 56.532 56.400 -0.063 0.000 0.832 334 E CB 0.016 29.679 29.700 -0.061 0.000 0.790 334 E HN 0.164 nan 8.360 nan 0.000 0.465 335 L N 1.261 122.425 121.223 -0.098 0.000 2.131 335 L HA -0.205 4.135 4.340 0.000 0.000 0.210 335 L C 2.467 179.223 176.870 -0.190 0.000 1.092 335 L CA 1.147 55.900 54.840 -0.145 0.000 0.759 335 L CB -0.272 41.703 42.059 -0.139 0.000 0.903 335 L HN 0.180 nan 8.230 nan 0.000 0.435 336 Q N 0.024 119.752 119.800 -0.121 0.000 2.049 336 Q HA -0.050 4.290 4.340 0.000 0.000 0.198 336 Q C 1.541 177.489 176.000 -0.085 0.000 0.971 336 Q CA 1.199 56.946 55.803 -0.093 0.000 0.833 336 Q CB -0.158 28.572 28.738 -0.014 0.000 0.896 336 Q HN 0.472 nan 8.270 nan 0.000 0.434 337 A N 0.931 123.714 122.820 -0.062 0.000 2.958 337 A HA 0.019 4.339 4.320 0.000 0.000 0.247 337 A C 0.404 177.948 177.584 -0.067 0.000 1.679 337 A CA 0.442 52.452 52.037 -0.044 0.000 1.345 337 A CB -0.360 18.623 19.000 -0.028 0.000 1.013 337 A HN 0.349 nan 8.150 nan 0.000 0.641 338 E N -0.569 119.567 120.200 -0.107 0.000 3.458 338 E HA 0.117 4.467 4.350 0.000 0.000 0.234 338 E C -0.380 176.132 176.600 -0.147 0.000 1.185 338 E CA -0.722 55.610 56.400 -0.114 0.000 1.483 338 E CB 0.301 29.933 29.700 -0.113 0.000 2.700 338 E HN 0.372 nan 8.360 nan 0.000 0.945 339 R N 2.482 122.844 120.500 -0.231 0.000 2.623 339 R HA 0.125 4.466 4.340 0.000 0.000 0.271 339 R C 0.069 176.280 176.300 -0.147 0.000 1.043 339 R CA 0.124 56.107 56.100 -0.195 0.000 1.083 339 R CB -0.024 30.166 30.300 -0.183 0.000 0.974 339 R HN 0.382 nan 8.270 nan 0.000 0.436 340 N N 4.822 123.553 118.700 0.051 0.000 2.530 340 N HA -0.057 4.683 4.740 0.000 0.000 0.216 340 N C 0.715 176.431 175.510 0.344 0.000 1.315 340 N CA 0.121 53.286 53.050 0.191 0.000 0.858 340 N CB -0.662 37.880 38.487 0.091 0.000 1.138 340 N HN 0.452 nan 8.380 nan 0.000 0.473 341 F N 0.282 120.237 119.950 0.008 0.000 2.472 341 F HA -0.013 4.514 4.527 0.001 0.000 0.285 341 F C 0.985 176.824 175.800 0.065 0.000 1.249 341 F CA -0.692 57.325 58.000 0.027 0.000 1.314 341 F CB 0.076 39.087 39.000 0.019 0.000 1.341 341 F HN 0.083 nan 8.300 nan 0.000 0.517 342 H N 0.899 119.907 119.070 -0.103 0.000 2.746 342 H HA 0.226 4.782 4.556 -0.000 0.000 0.269 342 H C -0.381 174.598 175.328 -0.582 0.000 1.248 342 H CA -0.848 55.029 56.048 -0.285 0.000 1.258 342 H CB 0.387 30.044 29.762 -0.176 0.000 1.441 342 H HN 0.743 nan 8.280 nan 0.000 0.508 343 T N 1.638 115.794 114.554 -0.663 0.000 2.788 343 T HA 0.427 4.777 4.350 0.000 0.000 0.287 343 T C 0.430 174.890 174.700 -0.399 0.000 1.007 343 T CA -0.288 61.370 62.100 -0.737 0.000 1.005 343 T CB 1.632 70.120 68.868 -0.634 0.000 1.012 343 T HN 0.409 nan 8.240 nan 0.000 0.530 344 V N -3.552 116.252 119.914 -0.182 0.000 3.178 344 V HA 0.655 4.775 4.120 0.000 0.000 0.302 344 V C -3.322 172.874 176.094 0.169 0.000 1.262 344 V CA -3.004 59.255 62.300 -0.068 0.000 1.030 344 V CB 1.247 32.977 31.823 -0.154 0.000 1.074 344 V HN 0.702 nan 8.190 nan 0.000 0.438 345 P HA 0.158 nan 4.420 nan 0.000 0.264 345 P C -1.446 176.130 177.300 0.460 0.000 1.183 345 P CA 0.658 63.940 63.100 0.303 0.000 0.763 345 P CB -0.103 31.645 31.700 0.080 0.000 0.807 346 Y N 3.461 123.889 120.300 0.212 0.000 2.373 346 Y HA 0.531 5.081 4.550 -0.000 0.000 0.336 346 Y C -0.675 175.168 175.900 -0.095 0.000 0.979 346 Y CA -1.504 56.563 58.100 -0.054 0.000 1.080 346 Y CB 1.531 39.553 38.460 -0.731 0.000 1.190 346 Y HN 0.209 nan 8.280 nan 0.000 0.446 347 M N 7.750 127.332 119.600 -0.030 0.000 2.167 347 M HA 0.538 5.019 4.480 0.000 0.000 0.333 347 M C -2.227 173.846 176.300 -0.377 0.000 1.030 347 M CA -0.690 54.364 55.300 -0.410 0.000 0.963 347 M CB 0.988 33.038 32.600 -0.915 0.000 1.589 347 M HN 0.432 nan 8.290 nan 0.000 0.431 348 V N 4.429 124.077 119.914 -0.444 0.000 2.487 348 V HA 0.905 5.025 4.120 0.000 0.000 0.298 348 V C 0.191 176.030 176.094 -0.426 0.000 1.028 348 V CA -0.519 61.509 62.300 -0.454 0.000 0.860 348 V CB 1.670 33.111 31.823 -0.638 0.000 0.991 348 V HN 0.999 nan 8.190 nan 0.000 0.427 349 G N 3.999 112.488 108.800 -0.519 0.000 2.672 349 G HA2 0.861 4.821 3.960 0.000 0.000 0.292 349 G HA3 0.861 4.821 3.960 0.000 0.000 0.292 349 G C -1.317 173.214 174.900 -0.614 0.000 1.375 349 G CA -0.637 43.772 45.100 -1.152 0.000 0.890 349 G HN 0.919 nan 8.290 nan 0.000 0.476 350 I N -2.266 118.012 120.570 -0.486 0.000 3.145 350 I HA 0.618 4.788 4.170 0.000 0.000 0.313 350 I C -0.757 175.390 176.117 0.049 0.000 1.122 350 I CA -1.363 59.867 61.300 -0.117 0.000 0.987 350 I CB 2.358 40.322 38.000 -0.059 0.000 1.236 350 I HN 0.455 nan 8.210 nan 0.000 0.453 351 N N 1.151 119.917 118.700 0.110 0.000 2.502 351 N HA 0.255 4.995 4.740 0.000 0.000 0.280 351 N C 0.162 175.762 175.510 0.150 0.000 1.223 351 N CA -0.811 52.376 53.050 0.228 0.000 0.966 351 N CB 1.416 40.047 38.487 0.240 0.000 1.203 351 N HN 0.519 nan 8.380 nan 0.000 0.565 352 K N 0.519 121.018 120.400 0.165 0.000 2.025 352 K HA -0.057 4.263 4.320 0.000 0.000 0.207 352 K C -0.042 176.621 176.600 0.106 0.000 1.049 352 K CA 1.757 58.114 56.287 0.116 0.000 0.933 352 K CB 0.184 32.738 32.500 0.091 0.000 0.714 352 K HN 0.486 nan 8.250 nan 0.000 0.438 353 Q N 0.524 120.392 119.800 0.114 0.000 2.798 353 Q HA 0.130 4.470 4.340 0.000 0.000 0.250 353 Q C -0.245 175.820 176.000 0.109 0.000 1.006 353 Q CA -0.339 55.533 55.803 0.116 0.000 0.759 353 Q CB 1.564 30.373 28.738 0.118 0.000 1.201 353 Q HN 0.106 nan 8.270 nan 0.000 0.486 354 E N 0.528 120.755 120.200 0.046 0.000 2.110 354 E HA -0.146 4.204 4.350 0.000 0.000 0.193 354 E C 0.446 177.083 176.600 0.062 0.000 0.988 354 E CA 1.208 57.553 56.400 -0.092 0.000 0.804 354 E CB 0.197 29.573 29.700 -0.541 0.000 0.745 354 E HN 0.504 nan 8.360 nan 0.000 0.458 355 F N 0.149 120.073 119.950 -0.043 0.000 2.684 355 F HA 0.265 4.792 4.527 0.000 0.000 0.298 355 F C 1.728 177.526 175.800 -0.002 0.000 1.120 355 F CA -0.281 57.692 58.000 -0.046 0.000 1.332 355 F CB 0.585 39.530 39.000 -0.091 0.000 0.986 355 F HN -0.043 nan 8.300 nan 0.000 0.524 356 G N 0.203 109.059 108.800 0.094 0.000 2.422 356 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 356 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 356 G C 0.952 175.952 174.900 0.168 0.000 1.146 356 G CA 1.429 46.602 45.100 0.122 0.000 0.769 356 G HN 0.634 nan 8.290 nan 0.000 0.547 357 W N -1.719 119.520 121.300 -0.102 0.000 5.565 357 W HA 0.197 4.858 4.660 0.000 0.000 0.159 357 W C 1.690 178.144 176.519 -0.108 0.000 2.343 357 W CA 0.282 57.569 57.345 -0.096 0.000 1.917 357 W CB -0.719 28.729 29.460 -0.021 0.000 0.660 357 W HN -0.001 nan 8.180 nan 0.000 1.118 358 L N 2.271 123.457 121.223 -0.061 0.000 2.010 358 L HA -0.224 4.116 4.340 0.000 0.000 0.219 358 L C 1.989 178.628 176.870 -0.386 0.000 1.077 358 L CA 2.999 57.667 54.840 -0.287 0.000 0.773 358 L CB -1.159 41.017 42.059 0.195 0.000 0.892 358 L HN 0.269 nan 8.230 nan 0.000 0.436 359 I N -0.708 119.683 120.570 -0.298 0.000 2.110 359 I HA -0.196 3.974 4.170 0.000 0.000 0.236 359 I C -0.163 175.656 176.117 -0.498 0.000 1.068 359 I CA 1.441 62.543 61.300 -0.330 0.000 1.333 359 I CB -1.802 36.039 38.000 -0.264 0.000 1.054 359 I HN 0.228 nan 8.210 nan 0.000 0.402 360 P HA -0.190 nan 4.420 nan 0.000 0.216 360 P C 1.089 178.170 177.300 -0.366 0.000 1.150 360 P CA 1.255 63.962 63.100 -0.655 0.000 0.843 360 P CB -0.045 31.185 31.700 -0.783 0.000 0.787 364 M N -0.006 119.560 119.600 -0.056 0.000 2.495 364 M HA 0.163 4.643 4.480 0.000 0.000 0.237 364 M C 0.514 176.853 176.300 0.065 0.000 1.131 364 M CA 0.319 55.644 55.300 0.042 0.000 1.032 364 M CB 0.454 33.131 32.600 0.129 0.000 1.513 364 M HN 0.226 nan 8.290 nan 0.000 0.488 365 S N 0.544 116.257 115.700 0.023 0.000 3.706 365 S HA -0.192 4.278 4.470 0.000 0.000 0.363 365 S C -0.325 174.333 174.600 0.097 0.000 0.999 365 S CA 0.265 58.485 58.200 0.034 0.000 1.143 365 S CB -1.998 61.212 63.200 0.018 0.000 0.902 365 S HN 0.528 nan 8.310 nan 0.000 0.476 366 Y N 1.833 122.123 120.300 -0.016 0.000 2.511 366 Y HA 0.297 4.847 4.550 -0.000 0.000 0.332 366 Y C -1.950 173.983 175.900 0.053 0.000 1.177 366 Y CA -1.344 56.783 58.100 0.046 0.000 1.422 366 Y CB 0.469 38.964 38.460 0.059 0.000 1.271 366 Y HN 0.073 nan 8.280 nan 0.000 0.550 367 P HA 0.153 nan 4.420 nan 0.000 0.263 367 P C -0.802 176.551 177.300 0.088 0.000 1.601 367 P CA 0.681 63.776 63.100 -0.009 0.000 1.161 367 P CB -0.135 31.510 31.700 -0.091 0.000 1.730 368 L N 1.494 122.803 121.223 0.144 0.000 3.165 368 L HA 0.094 4.434 4.340 0.000 0.000 0.327 368 L C 1.213 178.156 176.870 0.122 0.000 1.294 368 L CA 0.030 54.970 54.840 0.167 0.000 0.838 368 L CB 0.410 42.623 42.059 0.257 0.000 1.274 368 L HN 0.173 nan 8.230 nan 0.000 0.590 369 S N -2.105 113.647 115.700 0.087 0.000 2.515 369 S HA -0.016 4.454 4.470 0.000 0.000 0.231 369 S C 1.376 176.015 174.600 0.065 0.000 0.987 369 S CA 0.339 58.582 58.200 0.073 0.000 0.936 369 S CB 0.109 63.341 63.200 0.054 0.000 0.766 369 S HN 0.383 nan 8.310 nan 0.000 0.528 370 E N 1.479 121.718 120.200 0.065 0.000 2.122 370 E HA 0.148 4.498 4.350 0.000 0.000 0.190 370 E C 1.731 178.367 176.600 0.061 0.000 0.977 370 E CA 0.827 57.260 56.400 0.054 0.000 0.820 370 E CB -0.800 28.927 29.700 0.045 0.000 0.770 370 E HN 0.671 nan 8.360 nan 0.000 0.462 371 G N 1.843 110.692 108.800 0.081 0.000 2.159 371 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 371 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 371 G C 0.152 175.100 174.900 0.079 0.000 0.977 371 G CA 0.715 45.866 45.100 0.085 0.000 0.652 371 G HN 0.388 nan 8.290 nan 0.000 0.531 372 Q N -1.488 118.355 119.800 0.072 0.000 2.418 372 Q HA 0.868 5.208 4.340 0.000 0.000 0.282 372 Q C -1.613 174.414 176.000 0.045 0.000 1.044 372 Q CA -1.263 54.575 55.803 0.059 0.000 0.813 372 Q CB 2.266 31.029 28.738 0.043 0.000 1.428 372 Q HN 0.569 nan 8.270 nan 0.000 0.402 373 L N 1.209 122.450 121.223 0.030 0.000 2.403 373 L HA 0.638 4.978 4.340 0.000 0.000 0.253 373 L C -2.017 174.841 176.870 -0.020 0.000 1.045 373 L CA -0.129 54.702 54.840 -0.016 0.000 0.845 373 L CB 2.445 44.465 42.059 -0.065 0.000 1.447 373 L HN 0.949 nan 8.230 nan 0.000 0.411 374 D N 0.776 121.149 120.400 -0.045 0.000 2.732 374 D HA 0.189 4.829 4.640 0.000 0.000 0.229 374 D C -0.072 176.204 176.300 -0.040 0.000 1.152 374 D CA -0.460 53.524 54.000 -0.026 0.000 0.854 374 D CB 1.515 42.307 40.800 -0.013 0.000 1.590 374 D HN 0.440 nan 8.370 nan 0.000 0.468 375 Q N 0.936 120.728 119.800 -0.014 0.000 2.274 375 Q HA -0.254 4.086 4.340 0.000 0.000 0.217 375 Q C 1.409 177.402 176.000 -0.012 0.000 1.008 375 Q CA 1.919 57.720 55.803 -0.004 0.000 0.925 375 Q CB -0.140 28.604 28.738 0.011 0.000 0.957 375 Q HN 0.595 nan 8.270 nan 0.000 0.416 376 K N -0.751 119.639 120.400 -0.016 0.000 1.995 376 K HA -0.024 4.296 4.320 0.000 0.000 0.207 376 K C 2.244 178.828 176.600 -0.026 0.000 1.041 376 K CA 1.339 57.618 56.287 -0.013 0.000 0.942 376 K CB -0.169 32.326 32.500 -0.008 0.000 0.731 376 K HN 0.108 nan 8.250 nan 0.000 0.439 377 T N 1.641 116.169 114.554 -0.043 0.000 2.778 377 T HA -0.207 4.143 4.350 0.000 0.000 0.269 377 T C 1.810 176.436 174.700 -0.125 0.000 1.050 377 T CA 1.373 63.435 62.100 -0.062 0.000 1.137 377 T CB -0.287 68.541 68.868 -0.068 0.000 0.860 377 T HN 0.350 nan 8.240 nan 0.000 0.468 378 A N 1.674 124.382 122.820 -0.187 0.000 1.841 378 A HA -0.122 4.198 4.320 0.000 0.000 0.216 378 A C 2.319 179.838 177.584 -0.108 0.000 1.199 378 A CA 1.857 53.681 52.037 -0.355 0.000 0.621 378 A CB -0.813 18.035 19.000 -0.254 0.000 0.835 378 A HN 0.471 nan 8.150 nan 0.000 0.445 379 M N -0.507 119.101 119.600 0.013 0.000 2.267 379 M HA -0.145 4.335 4.480 0.000 0.000 0.263 379 M C 2.457 178.849 176.300 0.153 0.000 1.063 379 M CA 1.573 56.939 55.300 0.110 0.000 1.090 379 M CB -0.312 32.331 32.600 0.072 0.000 1.392 379 M HN 0.570 nan 8.290 nan 0.000 0.422 380 S N 0.714 116.471 115.700 0.094 0.000 2.345 380 S HA -0.064 4.406 4.470 0.000 0.000 0.219 380 S C 1.765 176.470 174.600 0.176 0.000 1.031 380 S CA 0.895 59.175 58.200 0.133 0.000 0.984 380 S CB -0.121 63.116 63.200 0.062 0.000 0.874 380 S HN 0.421 nan 8.310 nan 0.000 0.451 381 L N 0.853 122.137 121.223 0.103 0.000 1.994 381 L HA -0.085 4.255 4.340 0.000 0.000 0.208 381 L C 2.447 179.510 176.870 0.322 0.000 1.071 381 L CA 1.330 56.257 54.840 0.144 0.000 0.745 381 L CB -0.422 41.690 42.059 0.090 0.000 0.892 381 L HN 0.374 nan 8.230 nan 0.000 0.431 382 L N -0.719 120.773 121.223 0.447 0.000 2.189 382 L HA -0.294 4.046 4.340 0.000 0.000 0.214 382 L C 1.991 179.117 176.870 0.426 0.000 1.097 382 L CA 1.777 56.919 54.840 0.503 0.000 0.764 382 L CB -0.684 41.695 42.059 0.533 0.000 0.900 382 L HN 0.442 nan 8.230 nan 0.000 0.436 383 W N 0.121 121.536 121.300 0.193 0.000 2.494 383 W HA -0.123 4.537 4.660 -0.000 0.000 0.286 383 W C 1.866 178.476 176.519 0.153 0.000 1.218 383 W CA 0.715 58.155 57.345 0.158 0.000 1.313 383 W CB 0.145 29.657 29.460 0.087 0.000 1.105 383 W HN 0.119 nan 8.180 nan 0.000 0.561 384 K N 0.360 120.751 120.400 -0.014 0.000 2.296 384 K HA -0.023 4.297 4.320 0.000 0.000 0.200 384 K C 1.698 178.258 176.600 -0.068 0.000 1.048 384 K CA 1.174 57.366 56.287 -0.158 0.000 0.966 384 K CB -0.129 32.344 32.500 -0.045 0.000 0.754 384 K HN -0.107 nan 8.250 nan 0.000 0.466 385 S N 0.706 116.444 115.700 0.064 0.000 2.650 385 S HA -0.038 4.432 4.470 0.000 0.000 0.219 385 S C 1.063 175.691 174.600 0.047 0.000 0.960 385 S CA -0.114 58.153 58.200 0.112 0.000 0.925 385 S CB -0.327 63.014 63.200 0.234 0.000 0.775 385 S HN 0.293 nan 8.310 nan 0.000 0.525 386 Y N 3.903 124.111 120.300 -0.152 0.000 2.062 386 Y HA -0.179 4.371 4.550 -0.000 0.000 0.276 386 Y C -0.960 174.859 175.900 -0.134 0.000 1.189 386 Y CA 1.658 59.650 58.100 -0.181 0.000 1.130 386 Y CB -1.251 36.963 38.460 -0.410 0.000 0.959 386 Y HN 0.247 nan 8.280 nan 0.000 0.499 387 P HA -0.119 nan 4.420 nan 0.000 0.242 387 P C 0.716 177.930 177.300 -0.143 0.000 1.198 387 P CA 1.490 64.524 63.100 -0.111 0.000 0.756 387 P CB -0.155 31.529 31.700 -0.026 0.000 0.911 388 L N -1.489 119.632 121.223 -0.170 0.000 2.806 388 L HA 0.069 4.409 4.340 0.000 0.000 0.242 388 L C 2.214 178.919 176.870 -0.275 0.000 1.068 388 L CA 0.265 54.992 54.840 -0.187 0.000 0.923 388 L CB 0.324 42.312 42.059 -0.119 0.000 1.364 388 L HN -0.201 nan 8.230 nan 0.000 0.511 389 V N -5.592 114.163 119.914 -0.265 0.000 3.212 389 V HA 0.153 4.273 4.120 0.000 0.000 0.244 389 V C 1.060 176.984 176.094 -0.285 0.000 1.151 389 V CA -0.191 61.955 62.300 -0.256 0.000 1.119 389 V CB 0.295 32.025 31.823 -0.155 0.000 0.838 389 V HN 0.393 nan 8.190 nan 0.000 0.470 390 C N 1.679 120.669 119.300 -0.517 0.000 4.234 390 C HA -0.130 4.330 4.460 0.000 0.000 0.308 390 C C 0.247 175.095 174.990 -0.235 0.000 1.286 390 C CA 0.123 58.599 59.018 -0.903 0.000 2.102 390 C CB -3.011 24.327 27.740 -0.670 0.000 1.311 390 C HN 0.643 nan 8.230 nan 0.000 0.689 391 I N 0.780 121.478 120.570 0.213 0.000 2.406 391 I HA 0.583 4.753 4.170 0.000 0.000 0.290 391 I C 0.832 177.386 176.117 0.728 0.000 0.999 391 I CA -0.258 61.372 61.300 0.551 0.000 1.124 391 I CB 1.403 39.717 38.000 0.523 0.000 1.289 391 I HN 0.479 nan 8.210 nan 0.000 0.441 392 A N 5.470 128.634 122.820 0.573 0.000 2.520 392 A HA 0.048 4.368 4.320 0.000 0.000 0.235 392 A C 1.348 179.129 177.584 0.329 0.000 1.065 392 A CA 0.019 52.322 52.037 0.443 0.000 0.764 392 A CB 0.210 19.369 19.000 0.265 0.000 1.002 392 A HN 0.937 nan 8.150 nan 0.000 0.502 393 K N 0.543 120.987 120.400 0.074 0.000 2.280 393 K HA -0.139 4.181 4.320 0.000 0.000 0.202 393 K C 1.514 178.012 176.600 -0.170 0.000 1.047 393 K CA 1.639 57.723 56.287 -0.338 0.000 0.942 393 K CB 0.076 31.771 32.500 -1.342 0.000 0.739 393 K HN 0.864 nan 8.250 nan 0.000 0.457 394 E N 0.525 120.678 120.200 -0.078 0.000 2.435 394 E HA -0.133 4.217 4.350 0.000 0.000 0.195 394 E C 1.663 178.275 176.600 0.020 0.000 1.029 394 E CA 0.576 56.951 56.400 -0.042 0.000 0.865 394 E CB -0.061 29.622 29.700 -0.028 0.000 0.833 394 E HN 0.378 nan 8.360 nan 0.000 0.510 395 L N 0.386 121.656 121.223 0.079 0.000 2.298 395 L HA 0.011 4.351 4.340 0.000 0.000 0.209 395 L C 2.460 179.400 176.870 0.117 0.000 1.084 395 L CA -0.003 54.898 54.840 0.101 0.000 0.816 395 L CB -0.367 41.792 42.059 0.167 0.000 0.967 395 L HN -0.037 nan 8.230 nan 0.000 0.460 396 I N 0.862 121.526 120.570 0.157 0.000 2.130 396 I HA -0.279 3.891 4.170 0.000 0.000 0.241 396 I C 0.032 176.232 176.117 0.139 0.000 1.023 396 I CA 2.396 63.807 61.300 0.185 0.000 1.293 396 I CB -2.566 35.543 38.000 0.181 0.000 1.001 396 I HN 0.183 nan 8.210 nan 0.000 0.407 397 P HA -0.196 nan 4.420 nan 0.000 0.215 397 P C 1.771 179.119 177.300 0.079 0.000 1.157 397 P CA 1.713 64.854 63.100 0.068 0.000 0.874 397 P CB -0.073 31.647 31.700 0.033 0.000 0.790 398 E N -0.652 119.593 120.200 0.076 0.000 2.058 398 E HA -0.221 4.129 4.350 0.000 0.000 0.194 398 E C 1.931 178.625 176.600 0.157 0.000 0.997 398 E CA 1.347 57.802 56.400 0.091 0.000 0.801 398 E CB -0.499 29.239 29.700 0.063 0.000 0.746 398 E HN 0.062 nan 8.360 nan 0.000 0.450 399 A N 0.293 123.209 122.820 0.160 0.000 1.841 399 A HA -0.167 4.153 4.320 0.000 0.000 0.214 399 A C 2.424 180.130 177.584 0.203 0.000 1.195 399 A CA 2.128 54.284 52.037 0.198 0.000 0.611 399 A CB -1.134 17.948 19.000 0.136 0.000 0.835 399 A HN 0.342 nan 8.150 nan 0.000 0.443 400 T N -0.195 114.477 114.554 0.197 0.000 2.653 400 T HA -0.212 4.138 4.350 0.000 0.000 0.268 400 T C 1.897 176.696 174.700 0.164 0.000 1.035 400 T CA 1.944 64.166 62.100 0.203 0.000 1.154 400 T CB -0.326 68.642 68.868 0.168 0.000 0.862 400 T HN 0.608 nan 8.240 nan 0.000 0.441 401 E N 1.303 121.569 120.200 0.110 0.000 2.058 401 E HA -0.155 4.196 4.350 0.000 0.000 0.194 401 E C 2.104 178.720 176.600 0.027 0.000 0.997 401 E CA 1.519 57.956 56.400 0.062 0.000 0.801 401 E CB -0.307 29.416 29.700 0.039 0.000 0.746 401 E HN 0.285 nan 8.360 nan 0.000 0.450 402 K N -0.827 119.559 120.400 -0.023 0.000 2.034 402 K HA -0.203 4.117 4.320 0.000 0.000 0.214 402 K C 1.992 178.500 176.600 -0.154 0.000 1.051 402 K CA 1.917 58.068 56.287 -0.226 0.000 0.931 402 K CB -0.654 31.443 32.500 -0.671 0.000 0.715 402 K HN 0.255 nan 8.250 nan 0.000 0.446 403 Y N -0.110 120.114 120.300 -0.127 0.000 2.177 403 Y HA 0.094 4.644 4.550 -0.000 0.000 0.291 403 Y C 1.893 177.807 175.900 0.024 0.000 1.117 403 Y CA 1.121 59.205 58.100 -0.026 0.000 1.114 403 Y CB -0.227 38.281 38.460 0.081 0.000 1.017 403 Y HN -0.083 nan 8.280 nan 0.000 0.505 404 L N -0.751 120.619 121.223 0.246 0.000 2.551 404 L HA 0.035 4.375 4.340 0.000 0.000 0.228 404 L C 2.058 178.978 176.870 0.084 0.000 1.153 404 L CA 0.757 55.693 54.840 0.160 0.000 0.851 404 L CB -0.769 41.384 42.059 0.157 0.000 0.959 404 L HN 0.272 nan 8.230 nan 0.000 0.451 405 G N -0.208 108.625 108.800 0.055 0.000 3.061 405 G HA2 0.061 4.021 3.960 0.000 0.000 0.208 405 G HA3 0.061 4.021 3.960 0.000 0.000 0.208 405 G C 1.320 176.222 174.900 0.004 0.000 1.175 405 G CA 0.467 45.579 45.100 0.020 0.000 0.812 405 G HN 0.420 nan 8.290 nan 0.000 0.523 406 G N 0.614 109.420 108.800 0.010 0.000 2.556 406 G HA2 0.178 4.138 3.960 0.000 0.000 0.215 406 G HA3 0.178 4.138 3.960 0.000 0.000 0.215 406 G C 1.029 175.933 174.900 0.007 0.000 1.258 406 G CA 1.549 46.648 45.100 -0.001 0.000 0.811 406 G HN 0.621 nan 8.290 nan 0.000 0.557 407 T N -3.024 111.542 114.554 0.020 0.000 2.762 407 T HA 0.510 4.860 4.350 0.000 0.000 0.272 407 T C -0.070 174.644 174.700 0.024 0.000 0.982 407 T CA -0.264 61.847 62.100 0.019 0.000 1.013 407 T CB 1.831 70.712 68.868 0.021 0.000 1.309 407 T HN 0.040 nan 8.240 nan 0.000 0.572 408 D N -0.395 120.018 120.400 0.021 0.000 2.398 408 D HA 0.106 4.746 4.640 0.000 0.000 0.210 408 D C -0.050 176.265 176.300 0.024 0.000 1.094 408 D CA -0.130 53.883 54.000 0.021 0.000 0.839 408 D CB 0.145 40.954 40.800 0.015 0.000 0.963 408 D HN 0.528 nan 8.370 nan 0.000 0.506 409 D N 1.943 122.359 120.400 0.028 0.000 2.493 409 D HA -0.053 4.587 4.640 0.000 0.000 0.240 409 D C 1.384 177.706 176.300 0.037 0.000 1.142 409 D CA 0.438 54.457 54.000 0.031 0.000 0.872 409 D CB 1.255 42.075 40.800 0.034 0.000 1.173 409 D HN 0.028 nan 8.370 nan 0.000 0.467 410 T N 0.500 115.074 114.554 0.034 0.000 3.072 410 T HA -0.029 4.321 4.350 0.000 0.000 0.266 410 T C 1.790 176.520 174.700 0.050 0.000 1.127 410 T CA 0.292 62.413 62.100 0.036 0.000 1.107 410 T CB 0.184 69.069 68.868 0.028 0.000 0.910 410 T HN 0.221 nan 8.240 nan 0.000 0.513 411 V N 1.336 121.282 119.914 0.053 0.000 2.403 411 V HA 0.051 4.171 4.120 0.000 0.000 0.239 411 V C 2.579 178.721 176.094 0.081 0.000 1.041 411 V CA 0.948 63.287 62.300 0.065 0.000 1.051 411 V CB -0.369 31.486 31.823 0.053 0.000 0.704 411 V HN 0.332 nan 8.190 nan 0.000 0.472 412 K N 0.265 120.707 120.400 0.071 0.000 2.293 412 K HA -0.242 4.078 4.320 0.000 0.000 0.204 412 K C 2.086 178.752 176.600 0.110 0.000 1.045 412 K CA 1.430 57.766 56.287 0.081 0.000 0.933 412 K CB -0.170 32.367 32.500 0.062 0.000 0.736 412 K HN 0.428 nan 8.250 nan 0.000 0.463 413 K N 0.946 121.409 120.400 0.105 0.000 1.980 413 K HA -0.142 4.178 4.320 0.000 0.000 0.208 413 K C 2.086 178.798 176.600 0.187 0.000 1.043 413 K CA 1.139 57.503 56.287 0.128 0.000 0.938 413 K CB -0.150 32.398 32.500 0.079 0.000 0.724 413 K HN 0.031 nan 8.250 nan 0.000 0.438 414 K N 1.277 121.774 120.400 0.161 0.000 2.071 414 K HA -0.297 4.023 4.320 0.000 0.000 0.217 414 K C 1.384 178.157 176.600 0.288 0.000 1.054 414 K CA 2.475 58.895 56.287 0.223 0.000 0.937 414 K CB -0.268 32.334 32.500 0.170 0.000 0.719 414 K HN 0.118 nan 8.250 nan 0.000 0.454 415 D N 0.905 121.433 120.400 0.213 0.000 2.084 415 D HA -0.173 4.467 4.640 0.000 0.000 0.194 415 D C 2.200 178.638 176.300 0.230 0.000 0.990 415 D CA 1.201 55.320 54.000 0.199 0.000 0.826 415 D CB -0.454 40.433 40.800 0.145 0.000 0.971 415 D HN 0.289 nan 8.370 nan 0.000 0.453 416 L N 0.064 121.430 121.223 0.238 0.000 2.187 416 L HA -0.181 4.159 4.340 0.000 0.000 0.213 416 L C 2.364 179.444 176.870 0.350 0.000 1.100 416 L CA 0.552 55.565 54.840 0.288 0.000 0.765 416 L CB -0.274 41.945 42.059 0.267 0.000 0.904 416 L HN -0.042 nan 8.230 nan 0.000 0.437 417 F N 0.440 120.491 119.950 0.168 0.000 2.234 417 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 417 F C 2.070 177.941 175.800 0.119 0.000 1.087 417 F CA 1.342 59.421 58.000 0.132 0.000 1.340 417 F CB -0.164 38.929 39.000 0.156 0.000 1.031 417 F HN -0.089 nan 8.300 nan 0.000 0.500 418 L N -0.370 120.929 121.223 0.126 0.000 2.056 418 L HA -0.187 4.153 4.340 0.000 0.000 0.207 418 L C 2.119 179.022 176.870 0.054 0.000 1.078 418 L CA 1.323 56.210 54.840 0.079 0.000 0.749 418 L CB -0.872 41.301 42.059 0.190 0.000 0.901 418 L HN 0.038 nan 8.230 nan 0.000 0.433 419 D N 0.227 120.709 120.400 0.136 0.000 2.178 419 D HA -0.171 4.469 4.640 0.000 0.000 0.201 419 D C 2.185 178.559 176.300 0.124 0.000 0.980 419 D CA 0.809 54.929 54.000 0.199 0.000 0.842 419 D CB -0.007 40.984 40.800 0.319 0.000 0.948 419 D HN 0.164 nan 8.370 nan 0.000 0.472 420 L N 1.399 122.542 121.223 -0.134 0.000 1.943 420 L HA -0.189 4.151 4.340 0.000 0.000 0.215 420 L C 2.355 178.981 176.870 -0.407 0.000 1.074 420 L CA 1.510 55.974 54.840 -0.626 0.000 0.759 420 L CB -0.963 40.730 42.059 -0.611 0.000 0.888 420 L HN -0.013 nan 8.230 nan 0.000 0.433 421 I N 0.518 120.789 120.570 -0.499 0.000 2.091 421 I HA -0.347 3.823 4.170 0.000 0.000 0.239 421 I C 2.814 178.684 176.117 -0.411 0.000 1.061 421 I CA 1.610 62.545 61.300 -0.609 0.000 1.317 421 I CB -0.649 36.732 38.000 -1.032 0.000 1.031 421 I HN 0.396 nan 8.210 nan 0.000 0.401 422 A N 0.224 122.940 122.820 -0.174 0.000 1.986 422 A HA -0.285 4.035 4.320 0.000 0.000 0.220 422 A C 1.833 179.494 177.584 0.128 0.000 1.171 422 A CA 2.451 54.559 52.037 0.118 0.000 0.640 422 A CB -0.722 18.378 19.000 0.167 0.000 0.811 422 A HN 0.421 nan 8.150 nan 0.000 0.451 423 D N -0.820 119.588 120.400 0.013 0.000 2.149 423 D HA -0.047 4.593 4.640 0.000 0.000 0.201 423 D C 1.887 178.044 176.300 -0.238 0.000 0.972 423 D CA 1.201 55.207 54.000 0.010 0.000 0.835 423 D CB -0.094 40.837 40.800 0.218 0.000 0.966 423 D HN 0.225 nan 8.370 nan 0.000 0.476 424 V N 0.348 119.978 119.914 -0.472 0.000 2.548 424 V HA -0.124 3.996 4.120 0.000 0.000 0.249 424 V C 2.078 177.912 176.094 -0.434 0.000 1.055 424 V CA 1.146 63.065 62.300 -0.634 0.000 1.065 424 V CB -0.283 31.095 31.823 -0.742 0.000 0.681 424 V HN 0.272 nan 8.190 nan 0.000 0.462 425 M N -2.032 117.308 119.600 -0.432 0.000 2.501 425 M HA 0.180 4.660 4.480 0.000 0.000 0.261 425 M C 1.456 177.195 176.300 -0.934 0.000 1.129 425 M CA 1.527 56.402 55.300 -0.709 0.000 1.126 425 M CB 0.202 32.247 32.600 -0.926 0.000 1.359 425 M HN 0.396 nan 8.290 nan 0.000 0.471 426 F N -1.761 118.117 119.950 -0.121 0.000 2.083 426 F HA 0.353 4.880 4.527 0.000 0.000 0.259 426 F C 2.286 178.039 175.800 -0.079 0.000 0.953 426 F CA 0.138 58.096 58.000 -0.070 0.000 1.156 426 F CB -1.301 37.693 39.000 -0.009 0.000 1.297 426 F HN 0.000 nan 8.300 nan 0.000 0.733 427 G N 1.489 110.393 108.800 0.173 0.000 2.721 427 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 427 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 427 G C 1.652 176.560 174.900 0.013 0.000 1.265 427 G CA 2.391 47.532 45.100 0.068 0.000 0.796 427 G HN 0.177 nan 8.290 nan 0.000 0.620 428 V N 2.327 122.241 119.914 0.001 0.000 2.295 428 V HA -0.123 3.997 4.120 0.000 0.000 0.246 428 V C 0.440 176.525 176.094 -0.015 0.000 1.049 428 V CA 2.382 64.690 62.300 0.013 0.000 1.024 428 V CB -1.401 30.429 31.823 0.013 0.000 0.648 428 V HN 0.319 nan 8.190 nan 0.000 0.447 429 P HA -0.112 nan 4.420 nan 0.000 0.215 429 P C 2.028 179.288 177.300 -0.066 0.000 1.153 429 P CA 1.873 64.934 63.100 -0.066 0.000 0.853 429 P CB -0.107 31.523 31.700 -0.117 0.000 0.788 430 S N -0.669 114.988 115.700 -0.072 0.000 2.359 430 S HA -0.123 4.347 4.470 0.000 0.000 0.224 430 S C 2.013 176.509 174.600 -0.173 0.000 1.035 430 S CA 1.428 59.557 58.200 -0.119 0.000 1.018 430 S CB -1.320 61.813 63.200 -0.111 0.000 0.876 430 S HN -0.041 nan 8.310 nan 0.000 0.448 431 V N 2.062 121.892 119.914 -0.140 0.000 2.427 431 V HA -0.135 3.985 4.120 0.000 0.000 0.248 431 V C 2.039 178.090 176.094 -0.071 0.000 1.051 431 V CA 1.334 63.544 62.300 -0.151 0.000 1.048 431 V CB -0.712 31.079 31.823 -0.052 0.000 0.666 431 V HN 0.440 nan 8.190 nan 0.000 0.456 432 I N -0.424 120.133 120.570 -0.022 0.000 2.179 432 I HA -0.225 3.945 4.170 0.000 0.000 0.242 432 I C 2.433 178.555 176.117 0.009 0.000 1.088 432 I CA 1.341 62.653 61.300 0.018 0.000 1.357 432 I CB -0.512 37.502 38.000 0.023 0.000 1.051 432 I HN 0.143 nan 8.210 nan 0.000 0.409 433 V N 1.223 121.121 119.914 -0.027 0.000 2.252 433 V HA -0.363 3.757 4.120 0.000 0.000 0.249 433 V C 2.778 178.861 176.094 -0.019 0.000 1.056 433 V CA 2.195 64.492 62.300 -0.006 0.000 1.022 433 V CB -1.131 30.669 31.823 -0.039 0.000 0.641 433 V HN 0.530 nan 8.190 nan 0.000 0.445 434 A N -0.145 122.570 122.820 -0.175 0.000 1.873 434 A HA -0.301 4.019 4.320 0.000 0.000 0.218 434 A C 2.348 179.939 177.584 0.013 0.000 1.193 434 A CA 2.377 54.253 52.037 -0.270 0.000 0.629 434 A CB -0.615 17.950 19.000 -0.725 0.000 0.826 434 A HN 0.535 nan 8.150 nan 0.000 0.447 435 R N -0.561 119.999 120.500 0.099 0.000 2.080 435 R HA -0.171 4.170 4.340 0.000 0.000 0.236 435 R C 2.146 178.553 176.300 0.179 0.000 1.137 435 R CA 1.850 58.098 56.100 0.247 0.000 0.943 435 R CB -0.620 29.804 30.300 0.207 0.000 0.846 435 R HN 0.727 nan 8.270 nan 0.000 0.431 436 N N -0.677 118.105 118.700 0.137 0.000 2.137 436 N HA -0.241 4.499 4.740 0.000 0.000 0.190 436 N C 1.801 177.420 175.510 0.182 0.000 1.017 436 N CA 1.353 54.481 53.050 0.130 0.000 0.859 436 N CB -0.169 38.380 38.487 0.104 0.000 1.002 436 N HN 0.324 nan 8.380 nan 0.000 0.428 437 H N 1.006 120.161 119.070 0.142 0.000 2.333 437 H HA 0.055 4.611 4.556 0.000 0.000 0.302 437 H C 2.297 177.724 175.328 0.165 0.000 1.075 437 H CA 1.285 57.454 56.048 0.201 0.000 1.348 437 H CB 0.112 30.015 29.762 0.236 0.000 1.393 437 H HN -0.005 nan 8.280 nan 0.000 0.509 438 R N 0.472 121.131 120.500 0.265 0.000 2.094 438 R HA -0.163 4.177 4.340 0.000 0.000 0.239 438 R C 1.372 177.727 176.300 0.093 0.000 1.137 438 R CA 2.196 58.410 56.100 0.190 0.000 0.943 438 R CB -0.311 30.140 30.300 0.252 0.000 0.850 438 R HN 0.454 nan 8.270 nan 0.000 0.433 439 D N 0.325 120.785 120.400 0.100 0.000 2.182 439 D HA -0.148 4.492 4.640 0.000 0.000 0.201 439 D C 1.657 177.986 176.300 0.049 0.000 0.986 439 D CA 1.370 55.410 54.000 0.066 0.000 0.847 439 D CB -0.213 40.629 40.800 0.070 0.000 0.942 439 D HN 0.448 nan 8.370 nan 0.000 0.467 440 A N 0.119 122.967 122.820 0.047 0.000 2.070 440 A HA 0.197 4.517 4.320 0.000 0.000 0.220 440 A C 1.833 179.427 177.584 0.016 0.000 1.159 440 A CA 1.636 53.711 52.037 0.063 0.000 0.656 440 A CB -0.310 18.766 19.000 0.127 0.000 0.800 440 A HN 0.329 nan 8.150 nan 0.000 0.453 441 G N -2.853 105.934 108.800 -0.022 0.000 2.141 441 G HA2 0.259 4.219 3.960 0.000 0.000 0.195 441 G HA3 0.259 4.219 3.960 0.000 0.000 0.195 441 G C 0.059 174.924 174.900 -0.059 0.000 1.012 441 G CA 0.163 45.249 45.100 -0.023 0.000 0.696 441 G HN 1.618 nan 8.290 nan 0.000 0.508 442 A N -0.088 122.656 122.820 -0.127 0.000 2.350 442 A HA 0.933 5.253 4.320 0.000 0.000 0.324 442 A C -2.258 175.388 177.584 0.103 0.000 1.118 442 A CA -1.692 50.291 52.037 -0.091 0.000 0.783 442 A CB 1.517 20.334 19.000 -0.305 0.000 1.236 442 A HN 0.070 nan 8.150 nan 0.000 0.457 443 P HA 0.093 nan 4.420 nan 0.000 0.265 443 P C -0.391 177.053 177.300 0.242 0.000 1.167 443 P CA 1.000 64.189 63.100 0.148 0.000 0.760 443 P CB 0.375 32.197 31.700 0.203 0.000 0.783 444 T N 2.413 116.971 114.554 0.006 0.000 2.993 444 T HA 0.513 4.863 4.350 0.000 0.000 0.312 444 T C -1.316 173.217 174.700 -0.278 0.000 1.115 444 T CA -0.295 61.819 62.100 0.023 0.000 1.027 444 T CB 0.700 69.685 68.868 0.195 0.000 1.116 444 T HN 0.104 nan 8.240 nan 0.000 0.464 445 Y N 1.451 121.714 120.300 -0.063 0.000 2.477 445 Y HA 0.740 5.290 4.550 0.000 0.000 0.347 445 Y C -0.013 175.876 175.900 -0.018 0.000 0.981 445 Y CA -1.119 56.945 58.100 -0.059 0.000 1.033 445 Y CB 2.102 40.270 38.460 -0.486 0.000 1.245 445 Y HN 0.384 nan 8.280 nan 0.000 0.455 446 M N 3.046 122.904 119.600 0.430 0.000 2.619 446 M HA 0.543 5.023 4.480 0.000 0.000 0.297 446 M C -1.571 175.035 176.300 0.511 0.000 1.229 446 M CA -1.009 54.427 55.300 0.225 0.000 0.860 446 M CB 3.285 35.842 32.600 -0.072 0.000 1.741 446 M HN 0.787 nan 8.290 nan 0.000 0.462 447 Y N -1.426 119.008 120.300 0.223 0.000 2.638 447 Y HA 0.716 5.266 4.550 0.000 0.000 0.335 447 Y C -1.706 174.290 175.900 0.159 0.000 1.155 447 Y CA -0.956 57.244 58.100 0.168 0.000 1.046 447 Y CB 1.634 40.167 38.460 0.121 0.000 1.303 447 Y HN 0.710 nan 8.280 nan 0.000 0.460 448 E N 2.416 122.875 120.200 0.432 0.000 2.343 448 E HA 0.283 4.633 4.350 0.000 0.000 0.260 448 E C -2.262 174.604 176.600 0.444 0.000 0.908 448 E CA -0.747 55.843 56.400 0.317 0.000 0.814 448 E CB 1.199 31.025 29.700 0.211 0.000 1.302 448 E HN 0.627 nan 8.360 nan 0.000 0.408 449 F N 4.789 124.971 119.950 0.387 0.000 2.421 449 F HA 0.194 4.721 4.527 -0.000 0.000 0.358 449 F C -0.256 175.669 175.800 0.209 0.000 1.115 449 F CA -0.064 58.108 58.000 0.286 0.000 1.160 449 F CB 0.611 39.799 39.000 0.312 0.000 1.123 449 F HN 0.355 nan 8.300 nan 0.000 0.508 450 Q N 7.054 126.683 119.800 -0.284 0.000 2.674 450 Q HA 0.366 4.706 4.340 0.000 0.000 0.249 450 Q C -1.843 173.988 176.000 -0.283 0.000 1.011 450 Q CA -0.815 54.881 55.803 -0.180 0.000 0.734 450 Q CB 1.640 30.351 28.738 -0.044 0.000 1.201 450 Q HN 0.735 nan 8.270 nan 0.000 0.498 451 Y N 0.524 120.524 120.300 -0.501 0.000 2.521 451 Y HA 0.328 4.878 4.550 -0.000 0.000 0.328 451 Y C -1.725 174.117 175.900 -0.097 0.000 1.151 451 Y CA -0.907 56.979 58.100 -0.357 0.000 1.054 451 Y CB 1.911 40.039 38.460 -0.553 0.000 1.338 451 Y HN 0.585 nan 8.280 nan 0.000 0.453 452 R N 7.429 127.591 120.500 -0.564 0.000 2.233 452 R HA 0.427 4.767 4.340 0.000 0.000 0.334 452 R C -2.637 173.499 176.300 -0.274 0.000 1.037 452 R CA -1.905 54.016 56.100 -0.299 0.000 0.920 452 R CB 0.624 30.734 30.300 -0.316 0.000 1.137 452 R HN 0.411 nan 8.270 nan 0.000 0.492 453 P HA -0.051 nan 4.420 nan 0.000 0.268 453 P C 0.017 177.164 177.300 -0.255 0.000 1.208 453 P CA 0.137 63.253 63.100 0.026 0.000 0.777 453 P CB 1.073 32.751 31.700 -0.038 0.000 0.875 454 S N -0.020 115.400 115.700 -0.466 0.000 2.593 454 S HA 0.068 4.539 4.470 0.000 0.000 0.217 454 S C 0.858 175.072 174.600 -0.642 0.000 0.966 454 S CA -0.050 57.812 58.200 -0.562 0.000 0.914 454 S CB -0.962 61.862 63.200 -0.626 0.000 0.776 454 S HN 0.367 nan 8.310 nan 0.000 0.523 455 F N 1.803 121.563 119.950 -0.317 0.000 2.664 455 F HA 0.417 4.944 4.527 0.000 0.000 0.303 455 F C 1.095 176.681 175.800 -0.357 0.000 1.092 455 F CA -0.686 57.108 58.000 -0.343 0.000 1.305 455 F CB -0.090 38.636 39.000 -0.458 0.000 1.054 455 F HN 0.037 nan 8.300 nan 0.000 0.565 456 S N 0.040 115.615 115.700 -0.208 0.000 2.584 456 S HA 0.082 4.553 4.470 0.000 0.000 0.270 456 S C 0.549 175.104 174.600 -0.074 0.000 1.346 456 S CA -0.509 57.617 58.200 -0.124 0.000 1.018 456 S CB 0.978 64.084 63.200 -0.157 0.000 0.899 456 S HN 0.229 nan 8.310 nan 0.000 0.542 457 S N 0.430 116.111 115.700 -0.032 0.000 2.585 457 S HA 0.042 4.512 4.470 0.000 0.000 0.273 457 S C 0.930 175.429 174.600 -0.167 0.000 1.339 457 S CA -0.693 57.491 58.200 -0.026 0.000 1.028 457 S CB 0.156 63.440 63.200 0.140 0.000 0.906 457 S HN 0.639 nan 8.310 nan 0.000 0.528 458 D N 3.629 123.971 120.400 -0.096 0.000 2.092 458 D HA -0.170 4.470 4.640 0.000 0.000 0.193 458 D C 1.663 177.854 176.300 -0.182 0.000 0.994 458 D CA 1.556 55.484 54.000 -0.120 0.000 0.828 458 D CB -0.260 40.508 40.800 -0.055 0.000 0.963 458 D HN 0.637 nan 8.370 nan 0.000 0.450 459 M N 0.426 119.956 119.600 -0.118 0.000 2.706 459 M HA -0.103 4.377 4.480 0.000 0.000 0.253 459 M C 0.918 176.950 176.300 -0.448 0.000 1.063 459 M CA 0.657 55.909 55.300 -0.080 0.000 1.067 459 M CB -0.287 32.445 32.600 0.220 0.000 1.423 459 M HN -0.153 nan 8.290 nan 0.000 0.530 460 K N 2.795 122.663 120.400 -0.888 0.000 2.253 460 K HA 0.263 4.583 4.320 0.000 0.000 0.277 460 K C -2.292 173.895 176.600 -0.688 0.000 1.053 460 K CA -1.809 53.615 56.287 -1.438 0.000 0.892 460 K CB 0.970 32.626 32.500 -1.407 0.000 1.102 460 K HN -0.104 nan 8.250 nan 0.000 0.469 461 P HA -0.081 nan 4.420 nan 0.000 0.267 461 P C -0.444 176.720 177.300 -0.227 0.000 1.201 461 P CA 0.168 63.114 63.100 -0.257 0.000 0.775 461 P CB 0.612 32.228 31.700 -0.140 0.000 0.854 462 K N 0.017 120.320 120.400 -0.162 0.000 2.418 462 K HA -0.039 4.281 4.320 0.000 0.000 0.195 462 K C 1.365 177.897 176.600 -0.114 0.000 1.035 462 K CA 1.138 57.336 56.287 -0.148 0.000 1.003 462 K CB -0.820 31.602 32.500 -0.130 0.000 0.793 462 K HN 0.437 nan 8.250 nan 0.000 0.494 463 T N -0.939 113.565 114.554 -0.083 0.000 3.072 463 T HA 0.050 4.400 4.350 0.000 0.000 0.266 463 T C 0.681 175.360 174.700 -0.036 0.000 1.127 463 T CA -0.082 61.988 62.100 -0.049 0.000 1.107 463 T CB -0.404 68.453 68.868 -0.020 0.000 0.910 463 T HN 0.006 nan 8.240 nan 0.000 0.513 464 V N 1.858 121.744 119.914 -0.047 0.000 2.498 464 V HA 0.516 4.636 4.120 0.000 0.000 0.279 464 V C 0.088 176.167 176.094 -0.025 0.000 1.048 464 V CA -0.850 61.445 62.300 -0.008 0.000 0.967 464 V CB 0.811 32.645 31.823 0.018 0.000 0.988 464 V HN 0.399 nan 8.190 nan 0.000 0.473 465 I N 2.991 123.566 120.570 0.008 0.000 2.534 465 I HA 0.611 4.781 4.170 0.000 0.000 0.288 465 I C 0.674 176.829 176.117 0.063 0.000 1.077 465 I CA -0.455 60.839 61.300 -0.009 0.000 1.051 465 I CB 1.960 39.927 38.000 -0.056 0.000 1.234 465 I HN 0.871 nan 8.210 nan 0.000 0.425 466 G N 3.794 112.668 108.800 0.125 0.000 2.289 466 G HA2 -0.228 3.732 3.960 0.000 0.000 0.280 466 G HA3 -0.228 3.732 3.960 0.000 0.000 0.280 466 G C -0.323 174.716 174.900 0.233 0.000 1.089 466 G CA 0.083 45.328 45.100 0.241 0.000 0.939 466 G HN 0.733 nan 8.290 nan 0.000 0.499 467 D N -0.901 119.642 120.400 0.238 0.000 2.384 467 D HA 0.380 5.020 4.640 0.000 0.000 0.244 467 D C 0.949 177.408 176.300 0.266 0.000 1.251 467 D CA -0.408 53.740 54.000 0.246 0.000 0.961 467 D CB 0.367 41.340 40.800 0.289 0.000 1.116 467 D HN 0.378 nan 8.370 nan 0.000 0.484 468 H N -0.848 118.315 119.070 0.154 0.000 2.928 468 H HA 0.332 4.888 4.556 0.000 0.000 0.338 468 H C 1.320 176.798 175.328 0.251 0.000 1.047 468 H CA 1.645 57.771 56.048 0.130 0.000 1.435 468 H CB 0.343 30.178 29.762 0.123 0.000 1.428 468 H HN 0.577 nan 8.280 nan 0.000 0.590 469 G N 4.144 112.788 108.800 -0.261 0.000 2.205 469 G HA2 -0.365 3.595 3.960 0.000 0.000 0.261 469 G HA3 -0.365 3.595 3.960 0.000 0.000 0.261 469 G C 1.227 176.114 174.900 -0.022 0.000 0.980 469 G CA 0.647 45.549 45.100 -0.330 0.000 0.632 469 G HN 0.655 nan 8.290 nan 0.000 0.533 470 D N 0.989 121.511 120.400 0.203 0.000 2.149 470 D HA -0.055 4.585 4.640 0.000 0.000 0.198 470 D C 2.398 178.826 176.300 0.215 0.000 0.990 470 D CA 1.461 55.702 54.000 0.402 0.000 0.839 470 D CB -0.128 40.962 40.800 0.483 0.000 0.948 470 D HN 0.687 nan 8.370 nan 0.000 0.460 471 E N 1.097 121.115 120.200 -0.303 0.000 2.478 471 E HA -0.123 4.227 4.350 0.000 0.000 0.198 471 E C 1.995 178.290 176.600 -0.509 0.000 1.046 471 E CA 0.208 55.959 56.400 -1.081 0.000 0.870 471 E CB -0.613 28.402 29.700 -1.141 0.000 0.818 471 E HN 0.350 nan 8.360 nan 0.000 0.527 472 L N -0.376 120.670 121.223 -0.294 0.000 2.093 472 L HA -0.082 4.258 4.340 0.000 0.000 0.208 472 L C 2.215 178.866 176.870 -0.366 0.000 1.085 472 L CA 1.100 55.727 54.840 -0.356 0.000 0.755 472 L CB -0.472 41.248 42.059 -0.567 0.000 0.904 472 L HN 0.018 nan 8.230 nan 0.000 0.435 473 F N -0.671 119.208 119.950 -0.118 0.000 2.234 473 F HA -0.160 4.367 4.527 0.000 0.000 0.299 473 F C 2.677 178.429 175.800 -0.080 0.000 1.087 473 F CA 1.081 59.028 58.000 -0.089 0.000 1.340 473 F CB -0.698 38.330 39.000 0.047 0.000 1.031 473 F HN -0.048 nan 8.300 nan 0.000 0.500 474 S N -0.160 115.562 115.700 0.037 0.000 2.362 474 S HA -0.094 4.376 4.470 0.000 0.000 0.221 474 S C 2.331 176.784 174.600 -0.245 0.000 1.032 474 S CA 0.940 59.098 58.200 -0.071 0.000 0.973 474 S CB -0.464 62.667 63.200 -0.114 0.000 0.849 474 S HN 0.110 nan 8.310 nan 0.000 0.465 475 V N 0.723 120.391 119.914 -0.409 0.000 2.287 475 V HA -0.130 3.990 4.120 0.000 0.000 0.248 475 V C 1.218 177.010 176.094 -0.503 0.000 1.053 475 V CA 1.600 63.538 62.300 -0.603 0.000 1.027 475 V CB -0.605 30.844 31.823 -0.624 0.000 0.646 475 V HN 0.458 nan 8.190 nan 0.000 0.447 476 F N 0.517 120.254 119.950 -0.356 0.000 2.713 476 F HA 0.493 5.020 4.527 -0.000 0.000 0.294 476 F C 1.540 177.208 175.800 -0.219 0.000 1.152 476 F CA 0.099 57.916 58.000 -0.305 0.000 1.385 476 F CB -0.449 38.327 39.000 -0.373 0.000 0.981 476 F HN 0.204 nan 8.300 nan 0.000 0.514 477 G N 1.039 109.814 108.800 -0.041 0.000 2.369 477 G HA2 -0.245 3.715 3.960 0.000 0.000 0.286 477 G HA3 -0.245 3.715 3.960 0.000 0.000 0.286 477 G C 1.222 176.208 174.900 0.145 0.000 0.938 477 G CA 0.379 45.545 45.100 0.111 0.000 1.271 477 G HN 0.620 nan 8.290 nan 0.000 0.488 478 A N 0.854 123.672 122.820 -0.003 0.000 1.933 478 A HA 0.126 4.446 4.320 0.000 0.000 0.218 478 A C 0.674 178.125 177.584 -0.221 0.000 1.175 478 A CA 1.923 53.826 52.037 -0.224 0.000 0.628 478 A CB -0.687 18.036 19.000 -0.461 0.000 0.814 478 A HN 0.486 nan 8.150 nan 0.000 0.444 479 P HA -0.135 nan 4.420 nan 0.000 0.222 479 P C 0.409 177.475 177.300 -0.391 0.000 1.142 479 P CA 1.003 64.044 63.100 -0.098 0.000 0.788 479 P CB -0.153 31.378 31.700 -0.283 0.000 0.767 480 F N -2.906 117.054 119.950 0.016 0.000 2.695 480 F HA 0.220 4.747 4.527 0.000 0.000 0.303 480 F C 1.744 177.571 175.800 0.046 0.000 1.091 480 F CA 0.302 58.331 58.000 0.049 0.000 1.300 480 F CB -0.153 38.873 39.000 0.044 0.000 1.071 480 F HN -0.164 nan 8.300 nan 0.000 0.578 481 L N -1.553 119.740 121.223 0.116 0.000 2.641 481 L HA 0.203 4.543 4.340 0.000 0.000 0.207 481 L C 1.181 178.066 176.870 0.026 0.000 1.049 481 L CA 0.066 54.945 54.840 0.064 0.000 0.866 481 L CB -0.078 41.989 42.059 0.012 0.000 1.264 481 L HN -0.234 nan 8.230 nan 0.000 0.483 482 K N 0.741 121.123 120.400 -0.031 0.000 2.273 482 K HA 0.223 4.543 4.320 0.000 0.000 0.240 482 K C -0.401 176.281 176.600 0.137 0.000 1.056 482 K CA -0.206 56.098 56.287 0.028 0.000 0.910 482 K CB 0.520 32.965 32.500 -0.093 0.000 1.196 482 K HN -0.185 nan 8.250 nan 0.000 0.509 483 E N -1.596 118.724 120.200 0.200 0.000 2.312 483 E HA 0.382 4.732 4.350 0.000 0.000 0.267 483 E C -0.112 176.557 176.600 0.115 0.000 0.894 483 E CA 0.270 56.751 56.400 0.134 0.000 0.773 483 E CB 1.694 31.440 29.700 0.076 0.000 1.241 483 E HN 0.631 nan 8.360 nan 0.000 0.432 484 G N 1.661 110.484 108.800 0.037 0.000 2.175 484 G HA2 -0.190 3.770 3.960 0.000 0.000 0.244 484 G HA3 -0.190 3.770 3.960 0.000 0.000 0.244 484 G C 0.425 175.271 174.900 -0.090 0.000 0.982 484 G CA 0.091 45.171 45.100 -0.033 0.000 0.641 484 G HN 0.919 nan 8.290 nan 0.000 0.527 485 A N 0.630 123.416 122.820 -0.057 0.000 2.565 485 A HA 0.546 4.866 4.320 0.000 0.000 0.237 485 A C 1.147 178.672 177.584 -0.098 0.000 1.053 485 A CA 1.235 53.206 52.037 -0.109 0.000 0.755 485 A CB 0.103 19.098 19.000 -0.008 0.000 0.980 485 A HN 2.060 nan 8.150 nan 0.000 0.506 486 S N 1.222 116.863 115.700 -0.098 0.000 2.617 486 S HA 0.283 4.753 4.470 0.000 0.000 0.269 486 S C 0.860 175.429 174.600 -0.051 0.000 1.292 486 S CA 0.182 58.344 58.200 -0.063 0.000 1.010 486 S CB 1.190 64.362 63.200 -0.046 0.000 0.944 486 S HN 0.758 nan 8.310 nan 0.000 0.536 487 E N 0.866 121.044 120.200 -0.036 0.000 2.219 487 E HA -0.240 4.110 4.350 0.000 0.000 0.198 487 E C 1.789 178.375 176.600 -0.022 0.000 0.998 487 E CA 2.003 58.387 56.400 -0.027 0.000 0.818 487 E CB -0.286 29.407 29.700 -0.012 0.000 0.741 487 E HN 0.884 nan 8.360 nan 0.000 0.477 488 E N -0.044 120.148 120.200 -0.014 0.000 2.107 488 E HA -0.201 4.149 4.350 0.000 0.000 0.191 488 E C 2.014 178.580 176.600 -0.055 0.000 0.982 488 E CA 1.072 57.465 56.400 -0.010 0.000 0.809 488 E CB -0.167 29.553 29.700 0.033 0.000 0.756 488 E HN 0.390 nan 8.360 nan 0.000 0.459 489 E N 0.317 120.492 120.200 -0.042 0.000 2.107 489 E HA -0.118 4.233 4.350 0.000 0.000 0.191 489 E C 2.187 178.738 176.600 -0.082 0.000 0.982 489 E CA 0.759 57.106 56.400 -0.088 0.000 0.809 489 E CB 0.025 29.725 29.700 -0.000 0.000 0.756 489 E HN 0.370 nan 8.360 nan 0.000 0.459 490 I N 0.444 120.959 120.570 -0.092 0.000 2.179 490 I HA -0.291 3.879 4.170 0.000 0.000 0.242 490 I C 2.669 178.788 176.117 0.002 0.000 1.088 490 I CA 1.105 62.319 61.300 -0.144 0.000 1.357 490 I CB -0.267 37.633 38.000 -0.166 0.000 1.051 490 I HN 0.062 nan 8.210 nan 0.000 0.409 491 R N 0.259 120.758 120.500 -0.002 0.000 2.081 491 R HA -0.192 4.148 4.340 0.000 0.000 0.235 491 R C 2.307 178.601 176.300 -0.011 0.000 1.131 491 R CA 1.309 57.420 56.100 0.017 0.000 0.960 491 R CB -0.454 29.845 30.300 -0.002 0.000 0.856 491 R HN 0.215 nan 8.270 nan 0.000 0.436 492 L N 0.457 121.636 121.223 -0.074 0.000 2.079 492 L HA -0.176 4.164 4.340 0.000 0.000 0.210 492 L C 2.241 179.088 176.870 -0.038 0.000 1.081 492 L CA 1.818 56.597 54.840 -0.102 0.000 0.752 492 L CB -0.584 41.303 42.059 -0.286 0.000 0.896 492 L HN 0.030 nan 8.230 nan 0.000 0.433 493 S N -0.990 114.711 115.700 0.002 0.000 2.357 493 S HA -0.176 4.294 4.470 0.000 0.000 0.221 493 S C 2.059 176.672 174.600 0.022 0.000 1.031 493 S CA 1.243 59.467 58.200 0.039 0.000 0.982 493 S CB -0.156 63.148 63.200 0.174 0.000 0.853 493 S HN 0.514 nan 8.310 nan 0.000 0.458 494 K N 0.470 120.926 120.400 0.093 0.000 2.063 494 K HA -0.156 4.164 4.320 0.000 0.000 0.208 494 K C 2.267 178.843 176.600 -0.039 0.000 1.048 494 K CA 1.803 58.110 56.287 0.033 0.000 0.928 494 K CB -0.285 32.283 32.500 0.113 0.000 0.713 494 K HN 0.465 nan 8.250 nan 0.000 0.442 495 M N 0.682 120.251 119.600 -0.051 0.000 2.066 495 M HA -0.198 4.282 4.480 0.000 0.000 0.259 495 M C 2.038 178.281 176.300 -0.096 0.000 1.074 495 M CA 1.633 56.856 55.300 -0.127 0.000 1.114 495 M CB -0.092 32.460 32.600 -0.081 0.000 1.306 495 M HN -0.068 nan 8.290 nan 0.000 0.411 496 V N 1.182 121.088 119.914 -0.013 0.000 2.282 496 V HA -0.372 3.748 4.120 0.000 0.000 0.249 496 V C 2.455 178.522 176.094 -0.045 0.000 1.057 496 V CA 2.421 64.712 62.300 -0.015 0.000 1.032 496 V CB -0.807 30.812 31.823 -0.340 0.000 0.645 496 V HN 0.600 nan 8.190 nan 0.000 0.447 497 M N -0.952 118.561 119.600 -0.145 0.000 2.080 497 M HA -0.220 4.260 4.480 0.000 0.000 0.260 497 M C 2.362 178.684 176.300 0.038 0.000 1.068 497 M CA 1.877 57.107 55.300 -0.117 0.000 1.109 497 M CB -0.628 31.868 32.600 -0.174 0.000 1.342 497 M HN 0.217 nan 8.290 nan 0.000 0.405 498 K N 0.115 120.514 120.400 -0.000 0.000 2.044 498 K HA -0.156 4.164 4.320 0.000 0.000 0.210 498 K C 1.860 178.542 176.600 0.137 0.000 1.049 498 K CA 1.737 58.025 56.287 0.003 0.000 0.927 498 K CB -0.338 32.089 32.500 -0.122 0.000 0.713 498 K HN 0.278 nan 8.250 nan 0.000 0.443 499 F N -0.254 119.821 119.950 0.208 0.000 2.069 499 F HA -0.288 4.239 4.527 0.000 0.000 0.298 499 F C 2.525 178.478 175.800 0.255 0.000 1.113 499 F CA 0.786 58.951 58.000 0.276 0.000 1.214 499 F CB -0.236 39.091 39.000 0.544 0.000 0.978 499 F HN 0.278 nan 8.300 nan 0.000 0.474 500 W N 0.260 121.643 121.300 0.138 0.000 2.329 500 W HA -0.286 4.374 4.660 0.000 0.000 0.324 500 W C 2.711 179.221 176.519 -0.015 0.000 1.222 500 W CA 1.040 58.379 57.345 -0.009 0.000 1.270 500 W CB -0.884 28.499 29.460 -0.128 0.000 1.167 500 W HN 0.022 nan 8.180 nan 0.000 0.467 501 A N 0.855 123.794 122.820 0.199 0.000 1.903 501 A HA -0.301 4.019 4.320 0.000 0.000 0.219 501 A C 1.737 179.355 177.584 0.055 0.000 1.191 501 A CA 2.312 54.389 52.037 0.067 0.000 0.638 501 A CB -1.286 17.737 19.000 0.037 0.000 0.823 501 A HN 0.337 nan 8.150 nan 0.000 0.451 502 N N -1.052 117.705 118.700 0.095 0.000 2.061 502 N HA -0.181 4.559 4.740 0.000 0.000 0.193 502 N C 1.430 176.952 175.510 0.021 0.000 1.030 502 N CA 1.714 54.803 53.050 0.065 0.000 0.856 502 N CB -0.686 37.871 38.487 0.116 0.000 1.023 502 N HN 0.531 nan 8.380 nan 0.000 0.424 503 F N 1.522 121.379 119.950 -0.155 0.000 2.161 503 F HA -0.098 4.428 4.527 -0.000 0.000 0.300 503 F C 2.124 177.821 175.800 -0.173 0.000 1.089 503 F CA 1.292 59.133 58.000 -0.265 0.000 1.282 503 F CB -0.423 38.312 39.000 -0.441 0.000 1.010 503 F HN 0.049 nan 8.300 nan 0.000 0.485 504 A N -0.057 122.683 122.820 -0.134 0.000 2.066 504 A HA -0.071 4.249 4.320 0.000 0.000 0.218 504 A C 2.300 179.792 177.584 -0.153 0.000 1.157 504 A CA 1.228 53.160 52.037 -0.175 0.000 0.670 504 A CB -0.484 18.460 19.000 -0.095 0.000 0.804 504 A HN 0.457 nan 8.150 nan 0.000 0.453 505 R N -0.874 119.554 120.500 -0.120 0.000 2.074 505 R HA 0.063 4.403 4.340 0.000 0.000 0.218 505 R C 1.142 177.371 176.300 -0.117 0.000 1.137 505 R CA 1.211 57.257 56.100 -0.089 0.000 0.998 505 R CB -0.063 30.209 30.300 -0.045 0.000 0.895 505 R HN 0.481 nan 8.270 nan 0.000 0.442 506 N N -1.340 117.278 118.700 -0.136 0.000 2.407 506 N HA 0.077 4.817 4.740 0.000 0.000 0.182 506 N C 0.744 176.131 175.510 -0.204 0.000 1.079 506 N CA 1.019 53.992 53.050 -0.127 0.000 0.882 506 N CB 1.427 39.876 38.487 -0.064 0.000 1.106 506 N HN 0.334 nan 8.380 nan 0.000 0.461 507 G N 1.410 109.978 108.800 -0.387 0.000 2.140 507 G HA2 -0.218 3.742 3.960 0.000 0.000 0.211 507 G HA3 -0.218 3.742 3.960 0.000 0.000 0.211 507 G C -0.402 174.384 174.900 -0.191 0.000 1.013 507 G CA -0.073 44.645 45.100 -0.637 0.000 0.705 507 G HN 0.442 nan 8.290 nan 0.000 0.508 508 N N -0.245 118.391 118.700 -0.107 0.000 2.542 508 N HA 0.377 5.117 4.740 0.000 0.000 0.288 508 N C -1.588 173.800 175.510 -0.204 0.000 1.115 508 N CA -1.212 51.764 53.050 -0.124 0.000 0.924 508 N CB 2.407 40.903 38.487 0.014 0.000 1.526 508 N HN -0.063 nan 8.380 nan 0.000 0.515 509 P HA -0.088 nan 4.420 nan 0.000 0.220 509 P C -0.099 177.286 177.300 0.141 0.000 1.148 509 P CA 0.684 63.593 63.100 -0.319 0.000 0.803 509 P CB 0.283 31.297 31.700 -1.143 0.000 0.782 510 N N 0.832 119.558 118.700 0.043 0.000 2.374 510 N HA 0.250 4.990 4.740 0.000 0.000 0.241 510 N C 0.996 176.619 175.510 0.188 0.000 1.262 510 N CA 1.282 54.469 53.050 0.229 0.000 0.880 510 N CB 0.245 38.834 38.487 0.169 0.000 1.105 510 N HN 0.175 nan 8.380 nan 0.000 0.438 511 G N -0.378 108.534 108.800 0.187 0.000 2.355 511 G HA2 0.152 4.112 3.960 0.000 0.000 0.296 511 G HA3 0.152 4.112 3.960 0.000 0.000 0.296 511 G C -1.487 173.467 174.900 0.090 0.000 1.507 511 G CA -0.835 44.331 45.100 0.111 0.000 0.823 511 G HN 0.564 nan 8.290 nan 0.000 0.569 512 E N -0.392 119.845 120.200 0.062 0.000 2.414 512 E HA 0.416 4.766 4.350 0.000 0.000 0.263 512 E C 1.054 177.668 176.600 0.023 0.000 1.000 512 E CA 0.254 56.684 56.400 0.050 0.000 0.914 512 E CB 0.988 30.713 29.700 0.041 0.000 0.948 512 E HN 2.181 nan 8.360 nan 0.000 0.444 513 G N 2.564 111.380 108.800 0.027 0.000 2.141 513 G HA2 -0.232 3.728 3.960 0.000 0.000 0.231 513 G HA3 -0.232 3.728 3.960 0.000 0.000 0.231 513 G C -0.159 174.727 174.900 -0.022 0.000 0.984 513 G CA 0.071 45.173 45.100 0.004 0.000 0.660 513 G HN 0.424 nan 8.290 nan 0.000 0.525 514 L N -0.040 121.185 121.223 0.003 0.000 2.354 514 L HA 0.608 4.948 4.340 0.000 0.000 0.264 514 L C -2.098 174.869 176.870 0.162 0.000 1.008 514 L CA -2.445 52.382 54.840 -0.021 0.000 0.819 514 L CB 1.931 43.860 42.059 -0.217 0.000 1.339 514 L HN -0.128 nan 8.230 nan 0.000 0.420 515 P HA 0.063 nan 4.420 nan 0.000 0.269 515 P C -1.006 176.526 177.300 0.387 0.000 1.209 515 P CA -0.199 63.065 63.100 0.273 0.000 0.776 515 P CB 0.285 32.130 31.700 0.241 0.000 0.876 516 H N 1.906 121.118 119.070 0.238 0.000 2.848 516 H HA 0.139 4.695 4.556 -0.000 0.000 0.317 516 H C -0.972 174.532 175.328 0.293 0.000 1.046 516 H CA 0.050 56.255 56.048 0.261 0.000 1.470 516 H CB 0.203 30.073 29.762 0.180 0.000 1.483 516 H HN 0.365 nan 8.280 nan 0.000 0.548 517 W N 10.160 131.151 121.300 -0.514 0.000 2.278 517 W HA 0.305 4.965 4.660 -0.000 0.000 0.317 517 W C -2.804 173.466 176.519 -0.416 0.000 1.030 517 W CA -3.245 53.879 57.345 -0.368 0.000 1.334 517 W CB 0.775 29.964 29.460 -0.453 0.000 1.215 517 W HN 0.572 nan 8.180 nan 0.000 0.405 518 P HA 0.054 nan 4.420 nan 0.000 0.274 518 P C -0.362 177.151 177.300 0.354 0.000 1.237 518 P CA 0.100 63.394 63.100 0.324 0.000 0.793 518 P CB 1.487 33.368 31.700 0.303 0.000 0.977 519 E N 1.067 121.358 120.200 0.153 0.000 2.373 519 E HA -0.002 4.348 4.350 0.000 0.000 0.263 519 E C -0.896 175.694 176.600 -0.017 0.000 1.073 519 E CA -0.550 55.738 56.400 -0.187 0.000 0.894 519 E CB 0.246 29.792 29.700 -0.256 0.000 1.008 519 E HN 0.385 nan 8.360 nan 0.000 0.420 520 Y N 5.470 125.670 120.300 -0.167 0.000 2.667 520 Y HA 0.092 4.641 4.550 -0.000 0.000 0.340 520 Y C -0.306 175.579 175.900 -0.025 0.000 1.303 520 Y CA -0.510 57.583 58.100 -0.011 0.000 1.769 520 Y CB -0.701 37.764 38.460 0.009 0.000 1.804 520 Y HN 0.497 nan 8.280 nan 0.000 0.451 521 N N -0.072 118.533 118.700 -0.159 0.000 2.694 521 N HA 0.055 4.795 4.740 0.000 0.000 0.303 521 N C 0.943 176.332 175.510 -0.202 0.000 1.364 521 N CA -0.124 52.855 53.050 -0.117 0.000 0.862 521 N CB 0.025 38.478 38.487 -0.058 0.000 1.107 521 N HN 0.221 nan 8.380 nan 0.000 0.512 522 Q N -0.264 119.471 119.800 -0.108 0.000 2.096 522 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 522 Q C 1.412 177.340 176.000 -0.120 0.000 0.982 522 Q CA 1.654 57.399 55.803 -0.096 0.000 0.850 522 Q CB -0.543 28.169 28.738 -0.043 0.000 0.901 522 Q HN 0.518 nan 8.270 nan 0.000 0.422 523 K N 0.881 121.219 120.400 -0.103 0.000 2.442 523 K HA -0.060 4.260 4.320 0.000 0.000 0.198 523 K C 0.105 176.631 176.600 -0.124 0.000 1.042 523 K CA 0.208 56.449 56.287 -0.077 0.000 0.958 523 K CB 0.078 32.559 32.500 -0.032 0.000 0.766 523 K HN 0.262 nan 8.250 nan 0.000 0.474 524 E N -0.820 119.195 120.200 -0.308 0.000 2.416 524 E HA -0.162 4.188 4.350 0.000 0.000 0.249 524 E C 0.050 176.582 176.600 -0.112 0.000 1.124 524 E CA 0.208 56.266 56.400 -0.571 0.000 0.732 524 E CB -1.796 27.701 29.700 -0.337 0.000 1.286 524 E HN 0.486 nan 8.360 nan 0.000 0.394 525 G N 0.504 109.294 108.800 -0.016 0.000 2.483 525 G HA2 0.406 4.366 3.960 0.000 0.000 0.248 525 G HA3 0.406 4.366 3.960 0.000 0.000 0.248 525 G C -0.304 174.823 174.900 0.378 0.000 1.248 525 G CA 0.215 45.404 45.100 0.149 0.000 0.838 525 G HN 0.303 nan 8.290 nan 0.000 0.566 526 Y N -0.474 119.937 120.300 0.185 0.000 2.705 526 Y HA 0.687 5.237 4.550 0.000 0.000 0.332 526 Y C -1.518 174.361 175.900 -0.035 0.000 1.221 526 Y CA -1.818 56.403 58.100 0.202 0.000 1.059 526 Y CB 1.482 40.080 38.460 0.230 0.000 1.298 526 Y HN 0.573 nan 8.280 nan 0.000 0.459 527 L N 2.291 123.357 121.223 -0.262 0.000 2.282 527 L HA 0.501 4.841 4.340 0.000 0.000 0.288 527 L C -0.660 176.066 176.870 -0.241 0.000 1.033 527 L CA -0.378 54.102 54.840 -0.600 0.000 0.807 527 L CB 1.705 42.840 42.059 -1.541 0.000 1.209 527 L HN 0.796 nan 8.230 nan 0.000 0.423 528 Q N 4.679 124.354 119.800 -0.208 0.000 2.349 528 Q HA 0.510 4.850 4.340 0.000 0.000 0.254 528 Q C -1.099 174.873 176.000 -0.046 0.000 0.980 528 Q CA -0.074 55.714 55.803 -0.025 0.000 0.924 528 Q CB 0.956 29.670 28.738 -0.040 0.000 1.209 528 Q HN 0.624 nan 8.270 nan 0.000 0.445 529 I N 2.553 123.134 120.570 0.018 0.000 2.359 529 I HA 0.740 4.910 4.170 0.000 0.000 0.294 529 I C 0.618 176.682 176.117 -0.088 0.000 0.987 529 I CA -0.328 60.978 61.300 0.010 0.000 1.225 529 I CB 1.726 39.805 38.000 0.131 0.000 1.366 529 I HN 0.735 nan 8.210 nan 0.000 0.466 530 G N 3.003 111.746 108.800 -0.094 0.000 2.335 530 G HA2 0.354 4.314 3.960 0.000 0.000 0.291 530 G HA3 0.354 4.314 3.960 0.000 0.000 0.291 530 G C 0.219 175.091 174.900 -0.048 0.000 1.261 530 G CA -0.042 44.982 45.100 -0.127 0.000 0.871 530 G HN 0.591 nan 8.290 nan 0.000 0.491 531 A N -0.706 122.159 122.820 0.075 0.000 2.084 531 A HA 0.065 4.385 4.320 0.000 0.000 0.221 531 A C 0.899 178.498 177.584 0.025 0.000 1.161 531 A CA 1.712 53.794 52.037 0.075 0.000 0.653 531 A CB -0.366 18.730 19.000 0.160 0.000 0.802 531 A HN 0.488 nan 8.150 nan 0.000 0.457 532 N N 0.208 118.918 118.700 0.016 0.000 2.609 532 N HA 0.202 4.942 4.740 0.000 0.000 0.268 532 N C -1.456 174.055 175.510 0.001 0.000 1.106 532 N CA -0.049 53.006 53.050 0.009 0.000 0.823 532 N CB 1.415 39.907 38.487 0.009 0.000 1.263 532 N HN 0.032 nan 8.380 nan 0.000 0.533 533 T N 2.850 117.409 114.554 0.008 0.000 2.780 533 T HA 0.333 4.683 4.350 0.000 0.000 0.294 533 T C 0.277 174.978 174.700 0.002 0.000 0.949 533 T CA -0.362 61.741 62.100 0.005 0.000 1.074 533 T CB 0.892 69.789 68.868 0.048 0.000 0.910 533 T HN 0.412 nan 8.240 nan 0.000 0.501 534 Q N 1.525 121.300 119.800 -0.042 0.000 2.630 534 Q HA 0.687 5.027 4.340 0.000 0.000 0.295 534 Q C -1.564 174.356 176.000 -0.133 0.000 0.944 534 Q CA -1.201 54.572 55.803 -0.049 0.000 0.766 534 Q CB 1.524 30.245 28.738 -0.029 0.000 1.471 534 Q HN 0.578 nan 8.270 nan 0.000 0.416 535 A N 0.338 123.087 122.820 -0.118 0.000 2.304 535 A HA 0.887 5.207 4.320 0.000 0.000 0.271 535 A C -0.402 177.014 177.584 -0.279 0.000 1.091 535 A CA 0.427 52.340 52.037 -0.206 0.000 0.812 535 A CB 0.565 19.528 19.000 -0.061 0.000 1.056 535 A HN 1.135 nan 8.150 nan 0.000 0.489 536 A N 0.486 122.990 122.820 -0.527 0.000 2.535 536 A HA 0.797 5.117 4.320 0.000 0.000 0.296 536 A C -0.852 176.498 177.584 -0.391 0.000 1.248 536 A CA -0.565 51.170 52.037 -0.504 0.000 0.686 536 A CB 1.003 19.605 19.000 -0.664 0.000 1.315 536 A HN 0.829 nan 8.150 nan 0.000 0.460 537 Q N -0.456 119.327 119.800 -0.029 0.000 2.456 537 Q HA 0.532 4.872 4.340 0.000 0.000 0.284 537 Q C -1.429 174.804 176.000 0.388 0.000 1.061 537 Q CA -0.960 54.973 55.803 0.217 0.000 0.799 537 Q CB 2.135 30.925 28.738 0.086 0.000 1.445 537 Q HN 0.640 nan 8.270 nan 0.000 0.411 538 K N 0.752 121.334 120.400 0.303 0.000 3.150 538 K HA -0.210 4.110 4.320 0.000 0.000 0.267 538 K C -0.545 176.150 176.600 0.159 0.000 1.028 538 K CA 0.031 56.437 56.287 0.198 0.000 0.753 538 K CB -1.452 31.126 32.500 0.129 0.000 1.288 538 K HN 0.464 nan 8.250 nan 0.000 0.473 539 L N 1.568 122.798 121.223 0.013 0.000 2.559 539 L HA -0.048 4.292 4.340 0.000 0.000 0.274 539 L C 0.813 177.635 176.870 -0.080 0.000 1.205 539 L CA 0.975 55.635 54.840 -0.300 0.000 0.907 539 L CB 0.243 41.758 42.059 -0.906 0.000 1.153 539 L HN 0.316 nan 8.230 nan 0.000 0.490 540 K N 2.425 122.811 120.400 -0.022 0.000 3.363 540 K HA -0.318 4.002 4.320 0.000 0.000 0.313 540 K C 1.187 177.836 176.600 0.083 0.000 1.259 540 K CA 1.307 57.620 56.287 0.043 0.000 0.942 540 K CB -1.589 30.932 32.500 0.035 0.000 1.229 540 K HN 0.976 nan 8.250 nan 0.000 0.440 541 D N 1.156 121.604 120.400 0.079 0.000 2.157 541 D HA -0.220 4.420 4.640 0.000 0.000 0.191 541 D C 1.734 178.093 176.300 0.098 0.000 1.004 541 D CA 2.042 56.098 54.000 0.093 0.000 0.854 541 D CB 0.155 41.008 40.800 0.087 0.000 0.936 541 D HN 0.589 nan 8.370 nan 0.000 0.446 542 K N 0.212 120.660 120.400 0.081 0.000 2.009 542 K HA -0.207 4.113 4.320 0.000 0.000 0.210 542 K C 2.106 178.779 176.600 0.122 0.000 1.049 542 K CA 1.657 57.985 56.287 0.068 0.000 0.929 542 K CB 0.051 32.561 32.500 0.016 0.000 0.714 542 K HN -0.032 nan 8.250 nan 0.000 0.440 543 E N 0.407 120.708 120.200 0.169 0.000 2.031 543 E HA -0.148 4.202 4.350 0.000 0.000 0.193 543 E C 1.998 178.855 176.600 0.428 0.000 0.994 543 E CA 1.364 57.974 56.400 0.350 0.000 0.800 543 E CB -0.385 29.561 29.700 0.411 0.000 0.752 543 E HN 0.080 nan 8.360 nan 0.000 0.447 544 V N 1.503 121.587 119.914 0.284 0.000 2.250 544 V HA -0.383 3.737 4.120 0.000 0.000 0.253 544 V C 2.252 178.479 176.094 0.220 0.000 1.065 544 V CA 2.194 64.635 62.300 0.235 0.000 1.039 544 V CB -1.126 30.788 31.823 0.151 0.000 0.647 544 V HN 0.397 nan 8.190 nan 0.000 0.446 545 A N -0.373 122.552 122.820 0.175 0.000 1.851 545 A HA -0.276 4.044 4.320 0.000 0.000 0.216 545 A C 2.120 179.774 177.584 0.116 0.000 1.195 545 A CA 2.279 54.393 52.037 0.129 0.000 0.622 545 A CB -0.859 18.205 19.000 0.107 0.000 0.831 545 A HN 0.548 nan 8.150 nan 0.000 0.444 546 F N -0.721 119.216 119.950 -0.023 0.000 2.091 546 F HA -0.232 4.295 4.527 0.001 0.000 0.299 546 F C 1.953 177.629 175.800 -0.206 0.000 1.103 546 F CA 1.873 59.775 58.000 -0.163 0.000 1.228 546 F CB -0.674 38.148 39.000 -0.297 0.000 0.984 546 F HN 0.393 nan 8.300 nan 0.000 0.477 547 W N 0.267 121.430 121.300 -0.227 0.000 2.595 547 W HA -0.068 4.592 4.660 -0.000 0.000 0.257 547 W C 2.432 178.777 176.519 -0.290 0.000 1.267 547 W CA 1.239 58.310 57.345 -0.457 0.000 1.300 547 W CB -0.731 28.582 29.460 -0.244 0.000 1.120 547 W HN -0.107 nan 8.180 nan 0.000 0.618 548 T N 0.104 114.709 114.554 0.084 0.000 2.857 548 T HA -0.147 4.203 4.350 0.000 0.000 0.266 548 T C 1.557 176.283 174.700 0.043 0.000 1.048 548 T CA 1.403 63.571 62.100 0.113 0.000 1.139 548 T CB -0.248 68.680 68.868 0.098 0.000 0.874 548 T HN 0.130 nan 8.240 nan 0.000 0.455 549 N N 1.515 120.175 118.700 -0.067 0.000 2.148 549 N HA 0.009 4.749 4.740 0.000 0.000 0.186 549 N C 1.854 177.284 175.510 -0.132 0.000 1.031 549 N CA 0.611 53.610 53.050 -0.085 0.000 0.848 549 N CB -0.795 37.627 38.487 -0.108 0.000 1.005 549 N HN 0.159 nan 8.380 nan 0.000 0.427 550 L N 1.024 122.032 121.223 -0.358 0.000 2.051 550 L HA -0.074 4.266 4.340 0.000 0.000 0.214 550 L C 1.926 178.760 176.870 -0.062 0.000 1.076 550 L CA 1.527 56.138 54.840 -0.381 0.000 0.758 550 L CB -0.925 40.600 42.059 -0.891 0.000 0.890 550 L HN 0.116 nan 8.230 nan 0.000 0.433 551 F N -0.941 119.000 119.950 -0.014 0.000 2.502 551 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 551 F C 1.915 177.726 175.800 0.019 0.000 1.111 551 F CA 0.111 58.139 58.000 0.047 0.000 1.445 551 F CB -0.151 38.895 39.000 0.078 0.000 1.081 551 F HN 0.215 nan 8.300 nan 0.000 0.558 552 A N 0.953 123.879 122.820 0.177 0.000 2.648 552 A HA 0.159 4.479 4.320 0.000 0.000 0.269 552 A C 0.527 178.153 177.584 0.070 0.000 1.392 552 A CA -0.134 51.963 52.037 0.099 0.000 1.019 552 A CB -0.829 18.208 19.000 0.062 0.000 1.009 552 A HN 0.327 nan 8.150 nan 0.000 0.565 553 K N 0.000 120.457 120.400 0.094 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.328 56.287 0.069 0.000 0.838 553 K CB 0.000 32.536 32.500 0.060 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543