REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1yaj_1_L 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 0.000 174.667 174.600 0.112 0.000 1.055 21 S CA 0.000 58.252 58.200 0.086 0.000 1.107 21 S CB 0.000 63.244 63.200 0.073 0.000 0.593 22 S N 3.401 119.157 115.700 0.093 0.000 2.525 22 S HA 0.442 4.912 4.470 -0.001 0.000 0.285 22 S C -2.263 172.382 174.600 0.075 0.000 1.283 22 S CA -0.274 57.966 58.200 0.067 0.000 1.072 22 S CB -0.171 63.059 63.200 0.050 0.000 0.867 22 S HN 0.484 nan 8.310 nan 0.000 0.492 23 P HA 0.128 nan 4.420 nan 0.000 0.270 23 P C -2.534 174.644 177.300 -0.203 0.000 1.216 23 P CA -0.769 62.240 63.100 -0.153 0.000 0.788 23 P CB -0.252 31.348 31.700 -0.167 0.000 0.883 24 P HA 0.142 nan 4.420 nan 0.000 0.285 24 P C -1.018 176.215 177.300 -0.111 0.000 1.259 24 P CA 0.162 63.063 63.100 -0.332 0.000 0.794 24 P CB 0.624 31.991 31.700 -0.554 0.000 0.940 25 V N 4.784 124.706 119.914 0.014 0.000 2.289 25 V HA 0.161 4.281 4.120 -0.001 0.000 0.272 25 V C 0.154 176.287 176.094 0.065 0.000 1.026 25 V CA -0.631 61.715 62.300 0.077 0.000 0.807 25 V CB 1.299 33.153 31.823 0.052 0.000 1.044 25 V HN 0.235 nan 8.190 nan 0.000 0.443 26 V N 2.674 122.632 119.914 0.074 0.000 2.649 26 V HA 0.296 4.416 4.120 -0.001 0.000 0.292 26 V C 0.309 176.341 176.094 -0.104 0.000 1.055 26 V CA -0.269 61.913 62.300 -0.196 0.000 1.023 26 V CB 1.700 33.008 31.823 -0.859 0.000 0.992 26 V HN 0.763 nan 8.190 nan 0.000 0.480 27 D N 2.525 122.849 120.400 -0.127 0.000 2.198 27 D HA 0.435 5.075 4.640 -0.001 0.000 0.245 27 D C -0.100 176.158 176.300 -0.071 0.000 1.079 27 D CA 0.010 53.977 54.000 -0.055 0.000 0.854 27 D CB 1.879 42.642 40.800 -0.061 0.000 1.148 27 D HN 0.812 nan 8.370 nan 0.000 0.456 28 T N -0.489 114.059 114.554 -0.009 0.000 2.916 28 T HA 0.265 4.614 4.350 -0.001 0.000 0.292 28 T C 1.501 176.106 174.700 -0.158 0.000 1.064 28 T CA -0.711 61.373 62.100 -0.026 0.000 1.011 28 T CB 1.196 70.179 68.868 0.192 0.000 1.152 28 T HN 0.045 nan 8.240 nan 0.000 0.510 29 V N 1.483 121.240 119.914 -0.262 0.000 2.278 29 V HA -0.200 3.920 4.120 -0.001 0.000 0.251 29 V C 2.452 178.286 176.094 -0.434 0.000 1.062 29 V CA 2.015 64.088 62.300 -0.378 0.000 1.038 29 V CB -1.091 30.405 31.823 -0.544 0.000 0.646 29 V HN 0.891 nan 8.190 nan 0.000 0.447 30 H N -0.108 118.776 119.070 -0.310 0.000 2.551 30 H HA 0.417 4.972 4.556 -0.001 0.000 0.266 30 H C 0.979 175.568 175.328 -1.232 0.000 0.977 30 H CA 0.986 56.660 56.048 -0.624 0.000 1.163 30 H CB 0.245 29.669 29.762 -0.563 0.000 1.381 30 H HN 0.566 nan 8.280 nan 0.000 0.581 31 G N 0.158 108.462 108.800 -0.825 0.000 2.356 31 G HA2 0.083 4.043 3.960 -0.001 0.000 0.300 31 G HA3 0.083 4.043 3.960 -0.001 0.000 0.300 31 G C -1.509 173.375 174.900 -0.028 0.000 1.331 31 G CA -1.164 43.474 45.100 -0.771 0.000 0.905 31 G HN 0.047 nan 8.290 nan 0.000 0.587 32 K N -0.072 120.496 120.400 0.281 0.000 2.201 32 K HA 0.628 4.948 4.320 -0.001 0.000 0.278 32 K C -0.147 176.779 176.600 0.543 0.000 1.027 32 K CA -0.648 55.841 56.287 0.337 0.000 0.909 32 K CB 2.171 34.794 32.500 0.205 0.000 1.062 32 K HN 0.349 nan 8.250 nan 0.000 0.465 33 V N 3.433 123.618 119.914 0.451 0.000 2.732 33 V HA 0.378 4.497 4.120 -0.001 0.000 0.310 33 V C -0.527 175.791 176.094 0.373 0.000 1.053 33 V CA -1.069 61.511 62.300 0.466 0.000 0.957 33 V CB 1.761 33.949 31.823 0.609 0.000 1.018 33 V HN 0.587 nan 8.190 nan 0.000 0.452 34 L N 2.902 124.276 121.223 0.252 0.000 2.376 34 L HA 0.856 5.195 4.340 -0.001 0.000 0.275 34 L C -0.008 176.766 176.870 -0.161 0.000 0.987 34 L CA 0.269 55.144 54.840 0.059 0.000 0.828 34 L CB 0.997 43.063 42.059 0.011 0.000 1.249 34 L HN 0.823 nan 8.230 nan 0.000 0.409 35 G N 4.501 112.955 108.800 -0.577 0.000 3.013 35 G HA2 0.629 4.589 3.960 -0.001 0.000 0.278 35 G HA3 0.629 4.589 3.960 -0.001 0.000 0.278 35 G C -1.336 173.160 174.900 -0.673 0.000 1.353 35 G CA -0.636 43.929 45.100 -0.892 0.000 1.043 35 G HN 0.691 nan 8.290 nan 0.000 0.523 36 K N -1.057 119.006 120.400 -0.562 0.000 2.267 36 K HA 0.662 4.982 4.320 -0.001 0.000 0.246 36 K C -1.386 175.019 176.600 -0.325 0.000 0.954 36 K CA -0.825 55.234 56.287 -0.380 0.000 0.824 36 K CB 2.156 34.534 32.500 -0.203 0.000 1.167 36 K HN 0.289 nan 8.250 nan 0.000 0.431 37 F N 1.063 120.951 119.950 -0.102 0.000 2.375 37 F HA 0.382 4.909 4.527 -0.000 0.000 0.333 37 F C -0.211 175.574 175.800 -0.024 0.000 1.104 37 F CA -0.776 57.195 58.000 -0.049 0.000 1.149 37 F CB 1.858 40.843 39.000 -0.025 0.000 1.190 37 F HN 0.094 nan 8.300 nan 0.000 0.533 38 V N 2.264 122.331 119.914 0.255 0.000 2.569 38 V HA 0.241 4.360 4.120 -0.001 0.000 0.301 38 V C -0.769 175.387 176.094 0.102 0.000 1.044 38 V CA -0.827 61.557 62.300 0.141 0.000 0.874 38 V CB 1.896 33.792 31.823 0.121 0.000 1.002 38 V HN 0.717 nan 8.190 nan 0.000 0.424 39 S N 5.003 120.744 115.700 0.068 0.000 2.457 39 S HA 0.671 5.141 4.470 -0.001 0.000 0.289 39 S C -0.432 174.198 174.600 0.051 0.000 1.163 39 S CA -0.328 57.900 58.200 0.046 0.000 1.078 39 S CB 1.291 64.512 63.200 0.035 0.000 0.987 39 S HN 0.561 nan 8.310 nan 0.000 0.482 40 L N 2.753 123.999 121.223 0.038 0.000 2.344 40 L HA 0.537 4.877 4.340 -0.001 0.000 0.272 40 L C 0.123 177.104 176.870 0.185 0.000 1.035 40 L CA -0.640 54.228 54.840 0.047 0.000 0.807 40 L CB 1.087 43.045 42.059 -0.168 0.000 1.237 40 L HN 0.600 nan 8.230 nan 0.000 0.442 41 E N 2.884 123.198 120.200 0.190 0.000 2.491 41 E HA 0.364 4.713 4.350 -0.001 0.000 0.250 41 E C 0.714 177.460 176.600 0.243 0.000 1.061 41 E CA 1.141 57.659 56.400 0.196 0.000 0.942 41 E CB -0.377 29.436 29.700 0.188 0.000 0.957 41 E HN 0.868 nan 8.360 nan 0.000 0.480 42 G N 3.945 112.812 108.800 0.111 0.000 2.142 42 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.225 42 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.225 42 G C -0.431 174.227 174.900 -0.402 0.000 1.015 42 G CA -0.059 44.974 45.100 -0.112 0.000 0.716 42 G HN 0.363 nan 8.290 nan 0.000 0.508 43 F N -0.809 119.107 119.950 -0.057 0.000 2.671 43 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 43 F C 1.020 176.789 175.800 -0.050 0.000 1.189 43 F CA -0.198 57.763 58.000 -0.066 0.000 0.988 43 F CB 1.275 40.216 39.000 -0.098 0.000 1.258 43 F HN 0.125 nan 8.300 nan 0.000 0.471 44 A N 1.552 124.420 122.820 0.080 0.000 1.930 44 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 44 A C 1.294 178.891 177.584 0.023 0.000 1.175 44 A CA 1.099 53.155 52.037 0.032 0.000 0.627 44 A CB -0.307 18.693 19.000 -0.000 0.000 0.815 44 A HN 0.607 nan 8.150 nan 0.000 0.443 45 Q N 1.537 121.371 119.800 0.057 0.000 2.348 45 Q HA 0.247 4.587 4.340 -0.001 0.000 0.251 45 Q C -2.420 173.582 176.000 0.004 0.000 1.113 45 Q CA -2.761 53.051 55.803 0.016 0.000 0.902 45 Q CB 0.269 29.040 28.738 0.055 0.000 1.333 45 Q HN 0.374 nan 8.270 nan 0.000 0.457 46 P HA -0.016 nan 4.420 nan 0.000 0.269 46 P C -0.772 176.578 177.300 0.083 0.000 1.209 46 P CA -0.122 62.944 63.100 -0.058 0.000 0.776 46 P CB 0.869 32.426 31.700 -0.239 0.000 0.876 47 V N 2.390 122.395 119.914 0.152 0.000 2.509 47 V HA 0.383 4.503 4.120 -0.001 0.000 0.284 47 V C 0.883 177.189 176.094 0.354 0.000 1.047 47 V CA -0.637 61.797 62.300 0.223 0.000 0.952 47 V CB 0.891 32.797 31.823 0.140 0.000 0.988 47 V HN 0.746 nan 8.190 nan 0.000 0.469 48 A N 6.632 129.675 122.820 0.373 0.000 2.362 48 A HA 0.694 5.014 4.320 -0.001 0.000 0.276 48 A C -0.343 177.350 177.584 0.181 0.000 1.153 48 A CA -0.216 51.947 52.037 0.211 0.000 0.813 48 A CB -0.139 19.055 19.000 0.323 0.000 1.081 48 A HN 0.763 nan 8.150 nan 0.000 0.507 49 I N 2.629 123.135 120.570 -0.107 0.000 2.389 49 I HA 0.374 4.544 4.170 -0.001 0.000 0.288 49 I C -1.343 174.571 176.117 -0.338 0.000 0.999 49 I CA -0.241 60.957 61.300 -0.170 0.000 1.129 49 I CB 1.435 39.347 38.000 -0.147 0.000 1.288 49 I HN 0.507 nan 8.210 nan 0.000 0.444 50 F N 6.719 126.525 119.950 -0.239 0.000 2.403 50 F HA 0.507 5.033 4.527 -0.001 0.000 0.355 50 F C -0.309 175.363 175.800 -0.212 0.000 1.119 50 F CA -0.669 57.248 58.000 -0.139 0.000 1.007 50 F CB 1.251 40.284 39.000 0.054 0.000 1.194 50 F HN 0.145 nan 8.300 nan 0.000 0.443 51 L N 3.151 124.324 121.223 -0.083 0.000 2.294 51 L HA 0.715 5.055 4.340 -0.001 0.000 0.283 51 L C 0.637 177.429 176.870 -0.130 0.000 1.015 51 L CA -0.773 53.985 54.840 -0.137 0.000 0.831 51 L CB 1.346 43.210 42.059 -0.325 0.000 1.217 51 L HN 0.900 nan 8.230 nan 0.000 0.420 52 G N 3.513 112.261 108.800 -0.086 0.000 2.215 52 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.198 52 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.198 52 G C -0.213 174.719 174.900 0.053 0.000 1.047 52 G CA -0.710 44.282 45.100 -0.180 0.000 0.747 52 G HN 0.521 nan 8.290 nan 0.000 0.495 53 I N 2.560 123.186 120.570 0.093 0.000 2.363 53 I HA 0.196 4.365 4.170 -0.001 0.000 0.292 53 I C -1.409 174.763 176.117 0.093 0.000 1.075 53 I CA -1.942 59.406 61.300 0.081 0.000 1.333 53 I CB 1.026 38.999 38.000 -0.045 0.000 1.415 53 I HN 0.001 nan 8.210 nan 0.000 0.502 54 P HA -0.029 nan 4.420 nan 0.000 0.270 54 P C -0.051 177.187 177.300 -0.103 0.000 1.242 54 P CA 0.064 63.103 63.100 -0.102 0.000 0.768 54 P CB 0.264 31.910 31.700 -0.091 0.000 0.820 55 F N 2.182 121.939 119.950 -0.321 0.000 2.695 55 F HA 0.694 5.221 4.527 -0.001 0.000 0.303 55 F C 0.074 175.837 175.800 -0.062 0.000 1.091 55 F CA -0.845 56.965 58.000 -0.317 0.000 1.300 55 F CB 0.245 38.954 39.000 -0.485 0.000 1.071 55 F HN 0.346 nan 8.300 nan 0.000 0.578 56 A N 0.666 123.144 122.820 -0.569 0.000 2.610 56 A HA 0.470 4.790 4.320 -0.001 0.000 0.291 56 A C -1.294 176.067 177.584 -0.371 0.000 1.086 56 A CA -1.104 50.686 52.037 -0.411 0.000 0.677 56 A CB 0.926 19.576 19.000 -0.583 0.000 1.278 56 A HN 0.179 nan 8.150 nan 0.000 0.414 57 K N 1.191 121.453 120.400 -0.232 0.000 2.339 57 K HA 0.380 4.700 4.320 -0.001 0.000 0.286 57 K C -2.395 174.070 176.600 -0.226 0.000 1.050 57 K CA -1.586 54.587 56.287 -0.190 0.000 0.956 57 K CB 0.285 32.717 32.500 -0.114 0.000 0.990 57 K HN 0.301 nan 8.250 nan 0.000 0.475 58 P HA -0.094 nan 4.420 nan 0.000 0.252 58 P C -2.348 174.848 177.300 -0.174 0.000 1.147 58 P CA -0.526 62.439 63.100 -0.224 0.000 0.779 58 P CB 0.083 31.683 31.700 -0.168 0.000 0.733 59 P HA -0.004 nan 4.420 nan 0.000 0.246 59 P C -0.375 176.841 177.300 -0.140 0.000 1.675 59 P CA 0.455 63.458 63.100 -0.161 0.000 0.908 59 P CB -0.046 31.551 31.700 -0.171 0.000 1.890 60 L N -0.691 120.464 121.223 -0.114 0.000 2.431 60 L HA 0.521 4.861 4.340 -0.001 0.000 0.260 60 L C 1.787 178.615 176.870 -0.071 0.000 1.098 60 L CA -0.141 54.648 54.840 -0.086 0.000 0.800 60 L CB -0.151 41.865 42.059 -0.072 0.000 1.210 60 L HN 0.237 nan 8.230 nan 0.000 0.465 61 G N 1.204 109.974 108.800 -0.051 0.000 2.652 61 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.318 61 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.318 61 G C -1.383 173.496 174.900 -0.034 0.000 1.295 61 G CA 0.296 45.376 45.100 -0.033 0.000 0.999 61 G HN 0.656 nan 8.290 nan 0.000 0.548 62 P HA 0.053 nan 4.420 nan 0.000 0.242 62 P C 1.247 178.524 177.300 -0.038 0.000 1.198 62 P CA 0.934 64.032 63.100 -0.004 0.000 0.756 62 P CB -0.192 31.512 31.700 0.008 0.000 0.911 63 L N -1.285 119.892 121.223 -0.078 0.000 2.769 63 L HA 0.247 4.586 4.340 -0.001 0.000 0.240 63 L C 1.317 178.059 176.870 -0.213 0.000 1.163 63 L CA -0.371 54.393 54.840 -0.127 0.000 0.962 63 L CB 0.050 42.040 42.059 -0.115 0.000 1.258 63 L HN -0.095 nan 8.230 nan 0.000 0.513 64 R N 0.788 121.156 120.500 -0.220 0.000 2.265 64 R HA 0.192 4.532 4.340 -0.001 0.000 0.314 64 R C -0.539 175.473 176.300 -0.481 0.000 1.053 64 R CA -0.203 55.629 56.100 -0.446 0.000 0.931 64 R CB 0.255 30.279 30.300 -0.460 0.000 1.024 64 R HN 0.076 nan 8.270 nan 0.000 0.457 65 F N 0.167 119.792 119.950 -0.541 0.000 2.986 65 F HA -0.248 4.279 4.527 -0.001 0.000 0.309 65 F C -0.179 174.683 175.800 -1.564 0.000 0.884 65 F CA 1.205 58.601 58.000 -1.008 0.000 1.263 65 F CB -2.170 36.703 39.000 -0.212 0.000 1.315 65 F HN 0.631 nan 8.300 nan 0.000 0.595 66 T N -2.690 111.057 114.554 -1.345 0.000 2.853 66 T HA 0.719 5.068 4.350 -0.001 0.000 0.311 66 T C -3.117 171.304 174.700 -0.466 0.000 1.307 66 T CA -2.101 59.463 62.100 -0.893 0.000 1.019 66 T CB 3.089 71.748 68.868 -0.347 0.000 1.264 66 T HN -0.238 nan 8.240 nan 0.000 0.497 67 P HA 0.214 nan 4.420 nan 0.000 0.266 67 P C -2.437 174.880 177.300 0.028 0.000 1.193 67 P CA -0.675 62.498 63.100 0.120 0.000 0.770 67 P CB -0.119 31.677 31.700 0.159 0.000 0.836 68 P HA 0.165 nan 4.420 nan 0.000 0.279 68 P C -0.832 176.483 177.300 0.026 0.000 1.239 68 P CA -0.098 63.011 63.100 0.015 0.000 0.789 68 P CB 0.759 32.489 31.700 0.051 0.000 0.933 69 Q N 3.491 123.281 119.800 -0.017 0.000 2.235 69 Q HA 0.449 4.789 4.340 -0.001 0.000 0.256 69 Q C -2.215 173.783 176.000 -0.003 0.000 0.951 69 Q CA -1.902 53.901 55.803 0.001 0.000 0.890 69 Q CB 0.547 29.276 28.738 -0.016 0.000 1.279 69 Q HN 0.353 nan 8.270 nan 0.000 0.444 70 P HA -0.024 nan 4.420 nan 0.000 0.266 70 P C -1.393 175.867 177.300 -0.066 0.000 1.193 70 P CA 0.099 63.221 63.100 0.037 0.000 0.770 70 P CB 0.514 32.268 31.700 0.091 0.000 0.836 71 A N 2.547 125.265 122.820 -0.169 0.000 2.363 71 A HA 0.177 4.497 4.320 -0.001 0.000 0.270 71 A C 0.342 177.791 177.584 -0.224 0.000 1.121 71 A CA -0.424 51.499 52.037 -0.188 0.000 0.800 71 A CB -0.099 18.824 19.000 -0.128 0.000 1.052 71 A HN 0.442 nan 8.150 nan 0.000 0.493 72 E N 3.058 123.224 120.200 -0.056 0.000 2.414 72 E HA 0.140 4.490 4.350 -0.001 0.000 0.263 72 E C -1.942 174.712 176.600 0.091 0.000 1.000 72 E CA -1.084 55.323 56.400 0.011 0.000 0.914 72 E CB 0.139 29.869 29.700 0.050 0.000 0.948 72 E HN 0.522 nan 8.360 nan 0.000 0.444 73 P HA 0.116 nan 4.420 nan 0.000 0.272 73 P C -0.721 176.693 177.300 0.190 0.000 1.240 73 P CA -0.212 62.893 63.100 0.009 0.000 0.791 73 P CB 0.372 32.064 31.700 -0.014 0.000 0.978 74 W N -0.323 121.056 121.300 0.131 0.000 2.902 74 W HA 0.629 5.289 4.660 -0.001 0.000 0.346 74 W C 0.317 176.918 176.519 0.138 0.000 1.139 74 W CA -0.583 56.836 57.345 0.123 0.000 1.139 74 W CB -0.150 29.387 29.460 0.127 0.000 1.439 74 W HN 0.157 nan 8.180 nan 0.000 0.558 75 S N 0.576 116.546 115.700 0.450 0.000 2.272 75 S HA 0.097 4.567 4.470 -0.001 0.000 0.161 75 S C 0.882 175.737 174.600 0.424 0.000 1.293 75 S CA 0.053 58.474 58.200 0.370 0.000 2.027 75 S CB -0.646 62.824 63.200 0.450 0.000 0.565 75 S HN 0.378 nan 8.310 nan 0.000 0.364 76 F N 1.650 121.718 119.950 0.195 0.000 2.323 76 F HA -0.011 4.516 4.527 -0.001 0.000 0.253 76 F C 0.785 176.737 175.800 0.253 0.000 1.122 76 F CA -0.214 57.889 58.000 0.172 0.000 1.270 76 F CB -0.670 38.396 39.000 0.110 0.000 1.533 76 F HN -0.014 nan 8.300 nan 0.000 0.492 77 V N 0.395 120.549 119.914 0.402 0.000 2.370 77 V HA 0.197 4.316 4.120 -0.001 0.000 0.279 77 V C -0.041 176.176 176.094 0.206 0.000 1.029 77 V CA -1.266 61.214 62.300 0.301 0.000 0.870 77 V CB 1.167 33.108 31.823 0.198 0.000 0.984 77 V HN 0.423 nan 8.190 nan 0.000 0.451 78 K N 4.783 125.287 120.400 0.173 0.000 2.292 78 K HA 0.134 4.453 4.320 -0.001 0.000 0.290 78 K C 0.445 177.023 176.600 -0.036 0.000 1.083 78 K CA -0.163 56.067 56.287 -0.095 0.000 0.918 78 K CB 0.046 32.216 32.500 -0.551 0.000 1.089 78 K HN 0.687 nan 8.250 nan 0.000 0.473 79 N N 3.412 122.078 118.700 -0.057 0.000 2.416 79 N HA -0.055 4.684 4.740 -0.001 0.000 0.291 79 N C -0.819 174.634 175.510 -0.094 0.000 1.257 79 N CA -0.003 53.009 53.050 -0.063 0.000 1.043 79 N CB 0.404 38.849 38.487 -0.069 0.000 1.441 79 N HN 0.516 nan 8.380 nan 0.000 0.490 80 A N 2.761 125.543 122.820 -0.063 0.000 3.157 80 A HA 0.209 4.529 4.320 -0.001 0.000 0.276 80 A C 0.556 178.058 177.584 -0.137 0.000 1.524 80 A CA -0.395 51.597 52.037 -0.075 0.000 1.236 80 A CB -0.135 18.896 19.000 0.052 0.000 1.173 80 A HN 0.428 nan 8.150 nan 0.000 0.595 81 T N -0.566 113.881 114.554 -0.179 0.000 3.296 81 T HA 0.297 4.647 4.350 -0.001 0.000 0.285 81 T C 0.053 174.589 174.700 -0.273 0.000 1.014 81 T CA -0.024 61.936 62.100 -0.233 0.000 0.920 81 T CB 0.017 68.765 68.868 -0.200 0.000 1.143 81 T HN 0.308 nan 8.240 nan 0.000 0.522 82 S N 1.008 116.542 115.700 -0.276 0.000 2.571 82 S HA 0.530 4.999 4.470 -0.001 0.000 0.284 82 S C -1.065 173.370 174.600 -0.275 0.000 1.128 82 S CA -0.834 57.203 58.200 -0.272 0.000 0.970 82 S CB 0.996 64.094 63.200 -0.170 0.000 1.039 82 S HN 0.322 nan 8.310 nan 0.000 0.485 83 Y N 3.928 124.159 120.300 -0.116 0.000 2.721 83 Y HA 0.134 4.683 4.550 -0.001 0.000 0.329 83 Y C -1.454 174.329 175.900 -0.195 0.000 1.211 83 Y CA -1.031 56.997 58.100 -0.121 0.000 1.512 83 Y CB -0.244 38.172 38.460 -0.075 0.000 1.249 83 Y HN 0.381 nan 8.280 nan 0.000 0.549 84 P HA 0.158 nan 4.420 nan 0.000 0.274 84 P C -2.687 174.527 177.300 -0.143 0.000 1.231 84 P CA -1.607 61.278 63.100 -0.357 0.000 0.790 84 P CB 0.837 32.175 31.700 -0.602 0.000 0.951 85 P HA 0.164 nan 4.420 nan 0.000 0.272 85 P C -0.072 177.210 177.300 -0.031 0.000 1.223 85 P CA 0.152 63.216 63.100 -0.061 0.000 0.784 85 P CB 0.218 31.890 31.700 -0.047 0.000 0.923 86 M N 0.377 119.941 119.600 -0.059 0.000 2.367 86 M HA 0.472 4.951 4.480 -0.001 0.000 0.339 86 M C -0.557 175.681 176.300 -0.105 0.000 1.177 86 M CA -0.685 54.574 55.300 -0.068 0.000 1.068 86 M CB 0.556 33.107 32.600 -0.082 0.000 1.602 86 M HN 0.137 nan 8.290 nan 0.000 0.457 87 c N 1.813 120.345 118.600 -0.114 0.000 2.746 87 c HA 0.088 4.657 4.570 -0.001 0.000 0.403 87 c C 1.018 174.949 174.090 -0.265 0.000 1.270 87 c CA -0.253 55.960 56.329 -0.194 0.000 1.978 87 c CB -0.546 41.872 42.510 -0.154 0.000 2.724 87 c HN 0.889 nan 8.230 nan 0.000 0.678 88 T N 3.487 117.737 114.554 -0.507 0.000 2.871 88 T HA 0.353 4.703 4.350 -0.001 0.000 0.296 88 T C -0.086 174.412 174.700 -0.336 0.000 0.998 88 T CA 0.080 61.803 62.100 -0.630 0.000 1.162 88 T CB -0.131 67.829 68.868 -1.513 0.000 0.947 88 T HN 0.885 nan 8.240 nan 0.000 0.536 89 Q N 0.815 120.537 119.800 -0.130 0.000 2.813 89 Q HA 0.390 4.730 4.340 -0.001 0.000 0.338 89 Q C -1.613 174.409 176.000 0.037 0.000 0.785 89 Q CA -1.158 54.662 55.803 0.028 0.000 0.834 89 Q CB 0.673 29.423 28.738 0.019 0.000 1.329 89 Q HN 0.354 nan 8.270 nan 0.000 0.511 90 D N 2.321 122.755 120.400 0.055 0.000 2.359 90 D HA 0.144 4.784 4.640 -0.001 0.000 0.250 90 D C -1.356 174.947 176.300 0.006 0.000 1.264 90 D CA -2.063 51.959 54.000 0.037 0.000 0.911 90 D CB 1.026 41.853 40.800 0.044 0.000 1.056 90 D HN 0.260 nan 8.370 nan 0.000 0.499 91 P HA -0.217 nan 4.420 nan 0.000 0.218 91 P C 1.165 178.453 177.300 -0.020 0.000 1.146 91 P CA 1.122 64.210 63.100 -0.021 0.000 0.813 91 P CB 0.461 32.148 31.700 -0.022 0.000 0.778 92 K N -0.398 119.996 120.400 -0.011 0.000 2.186 92 K HA 0.067 4.386 4.320 -0.001 0.000 0.202 92 K C 2.195 178.786 176.600 -0.015 0.000 1.052 92 K CA 0.870 57.150 56.287 -0.011 0.000 0.965 92 K CB -0.272 32.226 32.500 -0.005 0.000 0.746 92 K HN -0.040 nan 8.250 nan 0.000 0.457 93 A N 0.636 123.448 122.820 -0.014 0.000 1.872 93 A HA 0.013 4.332 4.320 -0.001 0.000 0.214 93 A C 2.310 179.869 177.584 -0.042 0.000 1.187 93 A CA 1.594 53.617 52.037 -0.023 0.000 0.614 93 A CB -1.103 17.892 19.000 -0.009 0.000 0.826 93 A HN 0.472 nan 8.150 nan 0.000 0.442 94 G N -0.800 107.978 108.800 -0.037 0.000 2.418 94 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.217 94 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.217 94 G C 1.616 176.480 174.900 -0.061 0.000 1.158 94 G CA 1.150 46.220 45.100 -0.050 0.000 0.771 94 G HN 0.605 nan 8.290 nan 0.000 0.545 95 Q N -0.682 119.089 119.800 -0.049 0.000 2.170 95 Q HA -0.059 4.280 4.340 -0.001 0.000 0.203 95 Q C 2.337 178.313 176.000 -0.040 0.000 0.976 95 Q CA 1.157 56.931 55.803 -0.048 0.000 0.858 95 Q CB -0.191 28.524 28.738 -0.037 0.000 0.907 95 Q HN 0.423 nan 8.270 nan 0.000 0.433 96 L N -0.264 120.937 121.223 -0.035 0.000 2.068 96 L HA -0.044 4.295 4.340 -0.001 0.000 0.204 96 L C 1.984 178.834 176.870 -0.034 0.000 1.076 96 L CA 1.255 56.083 54.840 -0.020 0.000 0.753 96 L CB -0.607 41.441 42.059 -0.019 0.000 0.910 96 L HN 0.357 nan 8.230 nan 0.000 0.439 97 L N -0.950 120.216 121.223 -0.095 0.000 2.046 97 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 97 L C 2.699 179.473 176.870 -0.160 0.000 1.077 97 L CA 2.062 56.779 54.840 -0.204 0.000 0.747 97 L CB -0.808 41.087 42.059 -0.274 0.000 0.896 97 L HN 0.462 nan 8.230 nan 0.000 0.432 98 S N -1.244 114.388 115.700 -0.113 0.000 2.423 98 S HA -0.194 4.276 4.470 -0.001 0.000 0.231 98 S C 1.901 176.462 174.600 -0.065 0.000 1.014 98 S CA 1.412 59.542 58.200 -0.116 0.000 0.965 98 S CB -0.278 62.848 63.200 -0.124 0.000 0.785 98 S HN 0.613 nan 8.310 nan 0.000 0.495 99 E N 0.185 120.377 120.200 -0.015 0.000 2.072 99 E HA 0.018 4.368 4.350 -0.001 0.000 0.190 99 E C 1.903 178.576 176.600 0.122 0.000 0.982 99 E CA 1.193 57.612 56.400 0.031 0.000 0.803 99 E CB -0.092 29.628 29.700 0.034 0.000 0.755 99 E HN 0.511 nan 8.360 nan 0.000 0.453 100 L N -0.500 120.845 121.223 0.203 0.000 2.341 100 L HA -0.012 4.327 4.340 -0.001 0.000 0.214 100 L C 1.442 178.610 176.870 0.496 0.000 1.115 100 L CA 0.286 55.354 54.840 0.380 0.000 0.820 100 L CB 0.110 42.433 42.059 0.440 0.000 0.944 100 L HN 0.110 nan 8.230 nan 0.000 0.452 101 F N -0.899 119.018 119.950 -0.055 0.000 2.731 101 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 101 F C 1.947 177.471 175.800 -0.461 0.000 1.106 101 F CA -0.359 57.490 58.000 -0.251 0.000 1.329 101 F CB -0.552 38.319 39.000 -0.214 0.000 1.100 101 F HN -0.130 nan 8.300 nan 0.000 0.592 102 T N 1.186 115.646 114.554 -0.157 0.000 3.290 102 T HA -0.074 4.276 4.350 -0.001 0.000 0.434 102 T C 1.084 175.685 174.700 -0.165 0.000 1.097 102 T CA 1.182 63.128 62.100 -0.258 0.000 1.136 102 T CB 0.062 68.847 68.868 -0.138 0.000 1.322 102 T HN 0.482 nan 8.240 nan 0.000 0.506 103 N N -0.964 117.676 118.700 -0.100 0.000 2.092 103 N HA 0.038 4.777 4.740 -0.001 0.000 0.218 103 N C -0.539 174.935 175.510 -0.060 0.000 1.428 103 N CA -0.376 52.670 53.050 -0.006 0.000 0.961 103 N CB -0.017 38.471 38.487 0.002 0.000 1.148 103 N HN 0.447 nan 8.380 nan 0.000 0.586 104 R N 0.882 121.330 120.500 -0.087 0.000 2.782 104 R HA 0.452 4.791 4.340 -0.001 0.000 0.258 104 R C 1.336 177.576 176.300 -0.099 0.000 1.055 104 R CA -0.734 55.321 56.100 -0.076 0.000 1.065 104 R CB 1.418 31.681 30.300 -0.062 0.000 1.172 104 R HN 0.055 nan 8.270 nan 0.000 0.510 105 K N 0.461 120.816 120.400 -0.075 0.000 2.026 105 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 105 K C 0.064 176.626 176.600 -0.062 0.000 1.048 105 K CA 1.430 57.672 56.287 -0.076 0.000 0.929 105 K CB -0.182 32.293 32.500 -0.041 0.000 0.713 105 K HN 0.680 nan 8.250 nan 0.000 0.439 106 E N 1.143 121.313 120.200 -0.050 0.000 2.183 106 E HA 0.159 4.508 4.350 -0.001 0.000 0.271 106 E C -1.316 175.241 176.600 -0.071 0.000 0.919 106 E CA -0.997 55.374 56.400 -0.049 0.000 0.781 106 E CB 1.288 30.969 29.700 -0.033 0.000 1.140 106 E HN 0.233 nan 8.360 nan 0.000 0.402 107 N N 3.855 122.512 118.700 -0.072 0.000 2.472 107 N HA 0.122 4.862 4.740 -0.001 0.000 0.277 107 N C -0.517 174.923 175.510 -0.117 0.000 1.081 107 N CA -0.648 52.343 53.050 -0.098 0.000 0.973 107 N CB 0.595 39.037 38.487 -0.075 0.000 1.105 107 N HN 0.448 nan 8.380 nan 0.000 0.470 108 I N 5.201 125.661 120.570 -0.182 0.000 2.325 108 I HA 0.269 4.438 4.170 -0.001 0.000 0.291 108 I C -1.772 174.235 176.117 -0.183 0.000 1.019 108 I CA -2.307 58.862 61.300 -0.218 0.000 1.302 108 I CB 0.484 38.223 38.000 -0.436 0.000 1.401 108 I HN 0.461 nan 8.210 nan 0.000 0.485 109 P HA 0.409 nan 4.420 nan 0.000 0.278 109 P C -0.845 176.398 177.300 -0.095 0.000 1.238 109 P CA -0.291 62.753 63.100 -0.094 0.000 0.794 109 P CB 1.714 33.377 31.700 -0.063 0.000 0.955 110 L N 1.316 122.487 121.223 -0.087 0.000 2.256 110 L HA 0.566 4.906 4.340 -0.001 0.000 0.261 110 L C 0.427 177.258 176.870 -0.065 0.000 1.022 110 L CA -1.240 53.554 54.840 -0.077 0.000 0.828 110 L CB 1.615 43.620 42.059 -0.089 0.000 1.374 110 L HN 0.216 nan 8.230 nan 0.000 0.436 111 K N 0.461 120.824 120.400 -0.063 0.000 2.166 111 K HA 0.691 5.011 4.320 -0.001 0.000 0.245 111 K C -1.029 175.525 176.600 -0.077 0.000 0.967 111 K CA -0.331 55.918 56.287 -0.063 0.000 0.863 111 K CB 1.428 33.893 32.500 -0.058 0.000 1.107 111 K HN 0.323 nan 8.250 nan 0.000 0.436 112 L N 0.391 121.562 121.223 -0.087 0.000 2.352 112 L HA 0.693 5.032 4.340 -0.001 0.000 0.269 112 L C -0.166 176.623 176.870 -0.135 0.000 1.034 112 L CA -0.741 54.026 54.840 -0.123 0.000 0.806 112 L CB 1.796 43.774 42.059 -0.134 0.000 1.244 112 L HN 0.626 nan 8.230 nan 0.000 0.447 113 S N -0.666 114.919 115.700 -0.192 0.000 2.715 113 S HA 0.078 4.548 4.470 -0.001 0.000 0.290 113 S C -0.022 174.418 174.600 -0.266 0.000 1.008 113 S CA -0.610 57.479 58.200 -0.186 0.000 0.850 113 S CB 1.085 64.223 63.200 -0.103 0.000 1.059 113 S HN 0.772 nan 8.310 nan 0.000 0.455 114 E N 0.885 120.919 120.200 -0.276 0.000 2.204 114 E HA -0.087 4.263 4.350 -0.001 0.000 0.194 114 E C -0.157 176.315 176.600 -0.214 0.000 0.989 114 E CA 0.710 56.919 56.400 -0.318 0.000 0.824 114 E CB 0.057 29.630 29.700 -0.211 0.000 0.756 114 E HN 0.514 nan 8.360 nan 0.000 0.477 115 D N 0.181 120.492 120.400 -0.148 0.000 2.483 115 D HA 0.001 4.641 4.640 -0.001 0.000 0.220 115 D C 0.072 176.350 176.300 -0.036 0.000 1.173 115 D CA -0.282 53.644 54.000 -0.123 0.000 0.964 115 D CB 0.023 40.785 40.800 -0.064 0.000 1.046 115 D HN 0.137 nan 8.370 nan 0.000 0.517 116 c N 2.127 120.657 118.600 -0.118 0.000 3.911 116 c HA 0.363 4.932 4.570 -0.001 0.000 0.318 116 c C 1.030 175.069 174.090 -0.086 0.000 1.643 116 c CA -0.615 55.732 56.329 0.029 0.000 1.845 116 c CB -1.326 41.166 42.510 -0.029 0.000 2.981 116 c HN 0.447 nan 8.230 nan 0.000 0.656 117 L N 2.450 123.417 121.223 -0.428 0.000 2.530 117 L HA 0.224 4.563 4.340 -0.001 0.000 0.247 117 L C -0.318 176.075 176.870 -0.795 0.000 1.416 117 L CA 0.619 55.101 54.840 -0.597 0.000 1.202 117 L CB -0.933 40.603 42.059 -0.873 0.000 1.415 117 L HN 0.454 nan 8.230 nan 0.000 0.443 118 Y N 1.311 121.618 120.300 0.012 0.000 2.772 118 Y HA 0.762 5.312 4.550 -0.001 0.000 0.324 118 Y C 0.019 176.093 175.900 0.290 0.000 1.169 118 Y CA -1.111 57.054 58.100 0.109 0.000 1.198 118 Y CB 1.333 39.794 38.460 0.001 0.000 1.402 118 Y HN 0.088 nan 8.280 nan 0.000 0.577 119 L N -0.935 120.466 121.223 0.297 0.000 2.869 119 L HA 0.636 4.976 4.340 -0.001 0.000 0.265 119 L C -1.983 174.915 176.870 0.048 0.000 1.011 119 L CA -1.278 53.630 54.840 0.114 0.000 0.913 119 L CB 1.471 43.480 42.059 -0.083 0.000 1.490 119 L HN 0.440 nan 8.230 nan 0.000 0.410 120 N N 0.935 119.681 118.700 0.076 0.000 2.238 120 N HA 0.810 5.550 4.740 -0.001 0.000 0.302 120 N C -1.259 174.248 175.510 -0.005 0.000 1.072 120 N CA -0.288 52.779 53.050 0.029 0.000 0.792 120 N CB 2.626 41.182 38.487 0.115 0.000 1.425 120 N HN 0.751 nan 8.380 nan 0.000 0.478 121 I N 1.064 121.545 120.570 -0.150 0.000 2.646 121 I HA 0.387 4.556 4.170 -0.001 0.000 0.299 121 I C -1.105 174.878 176.117 -0.223 0.000 1.036 121 I CA -0.809 60.428 61.300 -0.105 0.000 1.074 121 I CB 1.466 39.298 38.000 -0.279 0.000 1.258 121 I HN 0.367 nan 8.210 nan 0.000 0.430 122 Y N 2.567 122.988 120.300 0.203 0.000 2.488 122 Y HA 0.308 4.858 4.550 -0.001 0.000 0.330 122 Y C 0.164 176.180 175.900 0.195 0.000 1.013 122 Y CA -0.666 57.559 58.100 0.209 0.000 1.304 122 Y CB 1.876 40.427 38.460 0.152 0.000 1.098 122 Y HN 0.374 nan 8.280 nan 0.000 0.498 123 T N 4.894 119.649 114.554 0.335 0.000 2.771 123 T HA 0.370 4.719 4.350 -0.001 0.000 0.281 123 T C -2.275 172.571 174.700 0.242 0.000 0.982 123 T CA -2.317 59.951 62.100 0.281 0.000 0.978 123 T CB 1.156 70.214 68.868 0.317 0.000 0.930 123 T HN 0.321 nan 8.240 nan 0.000 0.447 124 P HA 0.358 nan 4.420 nan 0.000 0.259 124 P C -0.228 177.146 177.300 0.123 0.000 1.530 124 P CA -0.230 62.943 63.100 0.120 0.000 1.022 124 P CB 0.082 31.812 31.700 0.050 0.000 1.514 125 A N -0.054 122.855 122.820 0.150 0.000 2.269 125 A HA 0.426 4.746 4.320 -0.001 0.000 0.319 125 A C -0.184 177.485 177.584 0.141 0.000 1.110 125 A CA -0.495 51.617 52.037 0.126 0.000 0.847 125 A CB 0.332 19.402 19.000 0.116 0.000 1.161 125 A HN -0.070 nan 8.150 nan 0.000 0.497 126 D N 1.185 121.649 120.400 0.106 0.000 2.339 126 D HA 0.255 4.895 4.640 -0.001 0.000 0.241 126 D C 1.064 177.426 176.300 0.103 0.000 1.183 126 D CA -0.069 53.994 54.000 0.106 0.000 0.859 126 D CB 0.724 41.563 40.800 0.065 0.000 1.067 126 D HN 0.455 nan 8.370 nan 0.000 0.484 127 L N 2.767 124.073 121.223 0.139 0.000 2.127 127 L HA -0.212 4.128 4.340 -0.001 0.000 0.211 127 L C 2.601 179.504 176.870 0.055 0.000 1.089 127 L CA 1.421 56.316 54.840 0.092 0.000 0.757 127 L CB -0.696 41.431 42.059 0.113 0.000 0.899 127 L HN 0.496 nan 8.230 nan 0.000 0.434 128 T N -1.379 113.216 114.554 0.068 0.000 2.684 128 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 128 T C 0.981 175.697 174.700 0.027 0.000 1.036 128 T CA 0.692 62.818 62.100 0.044 0.000 1.148 128 T CB -0.380 68.516 68.868 0.046 0.000 0.863 128 T HN 0.337 nan 8.240 nan 0.000 0.436 129 K N 1.496 121.915 120.400 0.031 0.000 2.090 129 K HA 0.355 4.675 4.320 -0.001 0.000 0.250 129 K C -0.346 176.266 176.600 0.019 0.000 1.004 129 K CA -0.878 55.422 56.287 0.022 0.000 0.919 129 K CB 1.197 33.711 32.500 0.024 0.000 1.045 129 K HN 0.155 nan 8.250 nan 0.000 0.471 130 K N 2.227 122.634 120.400 0.011 0.000 2.250 130 K HA 0.077 4.397 4.320 -0.001 0.000 0.285 130 K C -0.796 175.813 176.600 0.015 0.000 1.097 130 K CA -0.243 56.048 56.287 0.007 0.000 0.913 130 K CB 0.214 32.714 32.500 -0.001 0.000 1.179 130 K HN 0.466 nan 8.250 nan 0.000 0.462 131 N N 2.729 121.443 118.700 0.024 0.000 2.477 131 N HA 0.343 5.082 4.740 -0.001 0.000 0.284 131 N C -0.650 174.878 175.510 0.030 0.000 1.182 131 N CA -0.523 52.547 53.050 0.033 0.000 0.949 131 N CB 1.517 40.035 38.487 0.051 0.000 1.204 131 N HN 0.410 nan 8.380 nan 0.000 0.526 132 R N 0.868 121.386 120.500 0.030 0.000 2.570 132 R HA 0.317 4.657 4.340 -0.001 0.000 0.246 132 R C -1.078 175.238 176.300 0.026 0.000 1.417 132 R CA -0.259 55.856 56.100 0.025 0.000 1.525 132 R CB -0.227 30.078 30.300 0.008 0.000 1.403 132 R HN 0.407 nan 8.270 nan 0.000 0.754 133 L N 1.202 122.452 121.223 0.044 0.000 2.453 133 L HA 0.514 4.854 4.340 -0.001 0.000 0.261 133 L C -1.683 175.213 176.870 0.043 0.000 1.179 133 L CA -1.757 53.110 54.840 0.044 0.000 0.813 133 L CB 0.001 42.097 42.059 0.063 0.000 1.110 133 L HN 0.123 nan 8.230 nan 0.000 0.466 134 P HA 0.106 nan 4.420 nan 0.000 0.271 134 P C -0.902 176.438 177.300 0.066 0.000 1.218 134 P CA -0.178 62.940 63.100 0.031 0.000 0.780 134 P CB 1.102 32.806 31.700 0.007 0.000 0.901 135 V N 3.266 123.235 119.914 0.091 0.000 2.713 135 V HA 0.504 4.624 4.120 -0.001 0.000 0.307 135 V C 0.634 176.816 176.094 0.147 0.000 1.052 135 V CA -0.651 61.726 62.300 0.129 0.000 0.967 135 V CB 1.270 33.182 31.823 0.149 0.000 1.019 135 V HN 0.496 nan 8.190 nan 0.000 0.459 136 M N 2.842 122.559 119.600 0.195 0.000 2.060 136 M HA 0.391 4.871 4.480 -0.001 0.000 0.275 136 M C -1.328 175.276 176.300 0.507 0.000 0.919 136 M CA -0.345 55.114 55.300 0.265 0.000 0.970 136 M CB 1.938 34.595 32.600 0.095 0.000 1.670 136 M HN 0.432 nan 8.290 nan 0.000 0.440 137 V N 3.264 123.475 119.914 0.496 0.000 2.461 137 V HA 0.270 4.390 4.120 -0.001 0.000 0.275 137 V C -0.535 175.852 176.094 0.487 0.000 1.047 137 V CA -0.278 62.278 62.300 0.425 0.000 0.955 137 V CB 1.056 33.021 31.823 0.236 0.000 0.988 137 V HN 0.815 nan 8.190 nan 0.000 0.471 138 W N 7.054 128.418 121.300 0.106 0.000 2.429 138 W HA 0.601 5.261 4.660 -0.000 0.000 0.314 138 W C -1.291 175.153 176.519 -0.126 0.000 1.062 138 W CA -1.020 56.166 57.345 -0.265 0.000 1.211 138 W CB 1.424 30.726 29.460 -0.262 0.000 1.305 138 W HN 0.436 nan 8.180 nan 0.000 0.476 139 I N 8.280 128.313 120.570 -0.895 0.000 2.371 139 I HA 0.027 4.197 4.170 -0.001 0.000 0.282 139 I C 0.981 176.602 176.117 -0.827 0.000 1.031 139 I CA -0.732 60.249 61.300 -0.533 0.000 1.180 139 I CB 0.478 38.246 38.000 -0.388 0.000 1.336 139 I HN 0.361 nan 8.210 nan 0.000 0.467 140 H N 4.954 123.705 119.070 -0.532 0.000 2.836 140 H HA 0.311 4.867 4.556 -0.001 0.000 0.368 140 H C 0.317 175.649 175.328 0.007 0.000 1.164 140 H CA -0.257 55.658 56.048 -0.222 0.000 1.425 140 H CB 0.576 30.492 29.762 0.257 0.000 1.414 140 H HN 0.579 nan 8.280 nan 0.000 0.614 141 G N -0.849 107.949 108.800 -0.003 0.000 2.546 141 G HA2 0.407 4.367 3.960 -0.001 0.000 0.239 141 G HA3 0.407 4.367 3.960 -0.001 0.000 0.239 141 G C 0.579 175.423 174.900 -0.094 0.000 1.476 141 G CA -0.421 44.662 45.100 -0.029 0.000 1.064 141 G HN 1.399 nan 8.290 nan 0.000 0.561 142 G N -2.966 105.824 108.800 -0.018 0.000 2.151 142 G HA2 0.356 4.316 3.960 -0.001 0.000 0.140 142 G HA3 0.356 4.316 3.960 -0.001 0.000 0.140 142 G C 1.229 176.106 174.900 -0.038 0.000 1.020 142 G CA 0.746 45.817 45.100 -0.048 0.000 0.688 142 G HN 2.355 nan 8.290 nan 0.000 0.500 143 G N 0.007 108.790 108.800 -0.028 0.000 2.203 143 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.263 143 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.263 143 G C 1.044 175.877 174.900 -0.111 0.000 1.012 143 G CA 0.775 45.838 45.100 -0.062 0.000 0.749 143 G HN 1.852 nan 8.290 nan 0.000 0.512 144 L N -3.360 117.820 121.223 -0.072 0.000 4.040 144 L HA -0.257 4.082 4.340 -0.001 0.000 0.410 144 L C 1.827 178.710 176.870 0.021 0.000 1.187 144 L CA 1.424 56.233 54.840 -0.052 0.000 0.956 144 L CB -1.384 40.405 42.059 -0.451 0.000 2.022 144 L HN 0.449 nan 8.230 nan 0.000 0.897 145 M N -1.614 118.008 119.600 0.036 0.000 2.312 145 M HA 0.326 4.806 4.480 -0.001 0.000 0.260 145 M C 0.651 177.015 176.300 0.107 0.000 1.253 145 M CA 1.062 56.425 55.300 0.105 0.000 1.114 145 M CB 0.916 33.565 32.600 0.080 0.000 1.660 145 M HN 0.206 nan 8.290 nan 0.000 0.581 146 V N -2.842 117.103 119.914 0.052 0.000 3.181 146 V HA 1.045 5.165 4.120 -0.001 0.000 0.307 146 V C -0.238 175.901 176.094 0.074 0.000 1.310 146 V CA -0.289 62.037 62.300 0.044 0.000 1.067 146 V CB 1.184 33.018 31.823 0.018 0.000 1.081 146 V HN 0.513 nan 8.190 nan 0.000 0.453 147 G N -0.969 107.895 108.800 0.105 0.000 2.440 147 G HA2 0.607 4.567 3.960 -0.001 0.000 0.684 147 G HA3 0.607 4.567 3.960 -0.001 0.000 0.684 147 G C -0.610 174.350 174.900 0.100 0.000 1.309 147 G CA -0.061 45.198 45.100 0.265 0.000 0.931 147 G HN 2.669 nan 8.290 nan 0.000 0.612 148 A N -1.320 121.308 122.820 -0.320 0.000 2.515 148 A HA 1.095 5.414 4.320 -0.001 0.000 0.299 148 A C 0.708 177.971 177.584 -0.536 0.000 1.179 148 A CA 0.804 52.570 52.037 -0.453 0.000 0.656 148 A CB 0.603 19.499 19.000 -0.173 0.000 1.306 148 A HN 2.556 nan 8.150 nan 0.000 0.459 149 A N -0.962 121.749 122.820 -0.182 0.000 2.055 149 A HA 0.340 4.660 4.320 -0.001 0.000 0.205 149 A C 1.838 179.520 177.584 0.163 0.000 1.235 149 A CA 1.578 53.658 52.037 0.072 0.000 0.822 149 A CB -0.671 18.413 19.000 0.140 0.000 0.903 149 A HN 0.998 nan 8.150 nan 0.000 0.473 150 S N 0.459 116.206 115.700 0.079 0.000 2.420 150 S HA -0.153 4.317 4.470 -0.001 0.000 0.237 150 S C 1.853 176.407 174.600 -0.076 0.000 1.023 150 S CA 1.872 60.110 58.200 0.063 0.000 0.991 150 S CB -0.498 62.682 63.200 -0.034 0.000 0.792 150 S HN 0.652 nan 8.310 nan 0.000 0.488 151 T N 0.633 115.111 114.554 -0.127 0.000 2.833 151 T HA -0.071 4.278 4.350 -0.001 0.000 0.269 151 T C -0.015 174.431 174.700 -0.424 0.000 1.054 151 T CA 1.040 62.959 62.100 -0.303 0.000 1.135 151 T CB -0.260 68.363 68.868 -0.408 0.000 0.869 151 T HN 0.406 nan 8.240 nan 0.000 0.466 152 Y N 1.831 121.997 120.300 -0.224 0.000 2.404 152 Y HA 0.408 4.958 4.550 -0.001 0.000 0.344 152 Y C 0.091 175.881 175.900 -0.183 0.000 0.970 152 Y CA -2.013 55.829 58.100 -0.430 0.000 1.180 152 Y CB 0.377 38.282 38.460 -0.925 0.000 1.138 152 Y HN -0.074 nan 8.280 nan 0.000 0.510 153 D N 2.190 122.567 120.400 -0.038 0.000 2.295 153 D HA 0.191 4.831 4.640 -0.001 0.000 0.248 153 D C 1.007 177.190 176.300 -0.195 0.000 1.154 153 D CA -0.056 53.890 54.000 -0.090 0.000 0.857 153 D CB 1.670 42.457 40.800 -0.022 0.000 1.117 153 D HN 0.799 nan 8.370 nan 0.000 0.468 154 G N 3.206 111.473 108.800 -0.889 0.000 2.683 154 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.213 154 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.213 154 G C 1.406 176.032 174.900 -0.456 0.000 1.142 154 G CA 0.074 44.773 45.100 -0.668 0.000 0.793 154 G HN 0.509 nan 8.290 nan 0.000 0.534 155 L N 1.868 122.839 121.223 -0.419 0.000 2.077 155 L HA -0.303 4.037 4.340 -0.001 0.000 0.231 155 L C 2.912 179.696 176.870 -0.143 0.000 1.100 155 L CA 2.746 57.534 54.840 -0.086 0.000 0.819 155 L CB -0.930 41.133 42.059 0.007 0.000 0.913 155 L HN 0.258 nan 8.230 nan 0.000 0.446 156 A N -1.150 121.598 122.820 -0.121 0.000 1.835 156 A HA -0.222 4.098 4.320 -0.001 0.000 0.215 156 A C 2.241 179.729 177.584 -0.159 0.000 1.199 156 A CA 2.014 53.977 52.037 -0.124 0.000 0.615 156 A CB -1.269 17.735 19.000 0.006 0.000 0.838 156 A HN 0.546 nan 8.150 nan 0.000 0.444 157 L N -0.178 120.944 121.223 -0.168 0.000 2.081 157 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 157 L C 2.597 179.396 176.870 -0.119 0.000 1.080 157 L CA 2.215 56.949 54.840 -0.176 0.000 0.754 157 L CB -0.918 40.961 42.059 -0.300 0.000 0.893 157 L HN 0.423 nan 8.230 nan 0.000 0.433 158 A N -0.382 122.372 122.820 -0.110 0.000 1.834 158 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 158 A C 2.465 179.989 177.584 -0.099 0.000 1.203 158 A CA 2.391 54.404 52.037 -0.041 0.000 0.621 158 A CB -1.472 17.554 19.000 0.043 0.000 0.841 158 A HN 0.574 nan 8.150 nan 0.000 0.446 159 A N -1.630 121.034 122.820 -0.261 0.000 1.845 159 A HA -0.224 4.095 4.320 -0.001 0.000 0.215 159 A C 2.095 179.429 177.584 -0.417 0.000 1.195 159 A CA 1.788 53.513 52.037 -0.521 0.000 0.616 159 A CB -1.157 17.168 19.000 -1.126 0.000 0.832 159 A HN 0.668 nan 8.150 nan 0.000 0.443 160 H N -0.503 118.325 119.070 -0.403 0.000 2.426 160 H HA -0.068 4.488 4.556 -0.001 0.000 0.298 160 H C 0.937 176.276 175.328 0.017 0.000 1.107 160 H CA 1.698 57.719 56.048 -0.045 0.000 1.298 160 H CB 0.242 29.846 29.762 -0.264 0.000 1.377 160 H HN 0.456 nan 8.280 nan 0.000 0.519 161 E N -0.205 120.043 120.200 0.081 0.000 2.630 161 E HA 0.019 4.368 4.350 -0.001 0.000 0.218 161 E C -0.226 176.407 176.600 0.056 0.000 0.977 161 E CA -0.317 56.121 56.400 0.064 0.000 1.038 161 E CB -0.097 29.620 29.700 0.028 0.000 1.051 161 E HN 0.401 nan 8.360 nan 0.000 0.487 162 N N 0.915 119.647 118.700 0.053 0.000 2.642 162 N HA -0.182 4.557 4.740 -0.001 0.000 0.269 162 N C -0.749 174.794 175.510 0.054 0.000 1.073 162 N CA 0.460 53.545 53.050 0.058 0.000 0.748 162 N CB -0.650 37.881 38.487 0.073 0.000 0.894 162 N HN -0.025 nan 8.380 nan 0.000 0.548 163 V N -2.162 117.783 119.914 0.051 0.000 3.114 163 V HA 0.614 4.733 4.120 -0.001 0.000 0.308 163 V C 0.264 176.414 176.094 0.094 0.000 1.168 163 V CA -1.053 61.285 62.300 0.062 0.000 1.015 163 V CB 2.062 33.910 31.823 0.041 0.000 1.050 163 V HN -0.105 nan 8.190 nan 0.000 0.433 164 V N 2.669 122.655 119.914 0.119 0.000 2.389 164 V HA 0.326 4.445 4.120 -0.001 0.000 0.264 164 V C 0.187 176.398 176.094 0.195 0.000 1.049 164 V CA -0.258 62.141 62.300 0.166 0.000 0.932 164 V CB 1.042 32.963 31.823 0.163 0.000 1.011 164 V HN 0.687 nan 8.190 nan 0.000 0.475 165 V N 6.412 126.471 119.914 0.241 0.000 2.406 165 V HA 0.375 4.494 4.120 -0.001 0.000 0.272 165 V C 0.029 176.357 176.094 0.390 0.000 1.043 165 V CA -0.338 62.134 62.300 0.288 0.000 0.915 165 V CB 1.623 33.560 31.823 0.190 0.000 0.988 165 V HN 0.599 nan 8.190 nan 0.000 0.466 166 V N 4.480 124.617 119.914 0.371 0.000 2.407 166 V HA 0.479 4.599 4.120 -0.001 0.000 0.291 166 V C 0.201 176.512 176.094 0.361 0.000 1.018 166 V CA -0.506 61.989 62.300 0.324 0.000 0.842 166 V CB 2.060 34.022 31.823 0.230 0.000 0.996 166 V HN 0.987 nan 8.190 nan 0.000 0.426 167 T N 3.860 118.635 114.554 0.367 0.000 2.794 167 T HA 0.825 5.175 4.350 -0.001 0.000 0.280 167 T C -0.295 174.555 174.700 0.250 0.000 0.987 167 T CA -0.515 61.809 62.100 0.374 0.000 0.993 167 T CB 1.474 70.592 68.868 0.416 0.000 0.939 167 T HN 0.632 nan 8.240 nan 0.000 0.449 168 I N 0.085 120.789 120.570 0.223 0.000 3.217 168 I HA 0.718 4.888 4.170 -0.001 0.000 0.308 168 I C -0.712 175.557 176.117 0.253 0.000 1.091 168 I CA -1.411 59.983 61.300 0.156 0.000 1.013 168 I CB 1.913 39.927 38.000 0.022 0.000 1.250 168 I HN 0.587 nan 8.210 nan 0.000 0.496 169 Q N 0.647 120.639 119.800 0.320 0.000 2.416 169 Q HA 0.525 4.864 4.340 -0.001 0.000 0.281 169 Q C -2.040 174.221 176.000 0.435 0.000 1.067 169 Q CA -0.768 55.207 55.803 0.286 0.000 0.809 169 Q CB 3.065 31.906 28.738 0.171 0.000 1.418 169 Q HN 0.720 nan 8.270 nan 0.000 0.411 170 Y N -2.519 117.934 120.300 0.256 0.000 2.571 170 Y HA 0.558 5.108 4.550 -0.001 0.000 0.341 170 Y C -0.825 175.159 175.900 0.140 0.000 1.076 170 Y CA -1.443 56.774 58.100 0.196 0.000 1.029 170 Y CB 0.862 39.413 38.460 0.151 0.000 1.308 170 Y HN 0.406 nan 8.280 nan 0.000 0.461 171 R N 2.242 122.854 120.500 0.186 0.000 2.538 171 R HA 0.369 4.709 4.340 -0.001 0.000 0.282 171 R C -0.797 175.612 176.300 0.182 0.000 1.009 171 R CA 0.178 56.344 56.100 0.110 0.000 1.063 171 R CB 0.164 30.528 30.300 0.107 0.000 0.945 171 R HN 0.679 nan 8.270 nan 0.000 0.414 172 L N 1.257 122.604 121.223 0.207 0.000 2.271 172 L HA 0.559 4.898 4.340 -0.001 0.000 0.265 172 L C 1.311 178.482 176.870 0.503 0.000 1.013 172 L CA -0.702 54.350 54.840 0.353 0.000 0.820 172 L CB 1.135 43.295 42.059 0.168 0.000 1.352 172 L HN 0.862 nan 8.230 nan 0.000 0.443 173 G N 0.274 109.379 108.800 0.509 0.000 2.602 173 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.306 173 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.306 173 G C 0.760 175.994 174.900 0.557 0.000 1.301 173 G CA 0.623 46.029 45.100 0.510 0.000 0.974 173 G HN 0.667 nan 8.290 nan 0.000 0.547 174 I N -0.439 120.382 120.570 0.418 0.000 2.286 174 I HA -0.145 4.025 4.170 -0.001 0.000 0.248 174 I C 2.571 178.853 176.117 0.275 0.000 1.115 174 I CA 1.812 63.277 61.300 0.274 0.000 1.392 174 I CB -0.298 37.645 38.000 -0.095 0.000 1.065 174 I HN 0.514 nan 8.210 nan 0.000 0.418 175 W N 0.806 122.225 121.300 0.197 0.000 2.611 175 W HA -0.011 4.649 4.660 -0.001 0.000 0.251 175 W C 1.998 178.563 176.519 0.077 0.000 1.265 175 W CA 0.949 58.291 57.345 -0.005 0.000 1.295 175 W CB -0.385 29.032 29.460 -0.070 0.000 1.129 175 W HN 0.257 nan 8.180 nan 0.000 0.630 176 G N -2.366 106.661 108.800 0.378 0.000 2.815 176 G HA2 0.104 4.064 3.960 -0.001 0.000 0.215 176 G HA3 0.104 4.064 3.960 -0.001 0.000 0.215 176 G C 0.402 174.956 174.900 -0.576 0.000 1.054 176 G CA 0.008 45.082 45.100 -0.043 0.000 0.832 176 G HN 0.112 nan 8.290 nan 0.000 0.557 177 F N -0.385 119.781 119.950 0.360 0.000 2.856 177 F HA 0.388 4.915 4.527 -0.001 0.000 0.333 177 F C 0.006 175.917 175.800 0.184 0.000 1.200 177 F CA -1.311 56.769 58.000 0.133 0.000 1.128 177 F CB 0.451 39.480 39.000 0.047 0.000 1.172 177 F HN 0.020 nan 8.300 nan 0.000 0.511 178 F N 3.415 123.621 119.950 0.428 0.000 2.600 178 F HA 0.329 4.856 4.527 -0.001 0.000 0.345 178 F C 0.660 176.591 175.800 0.219 0.000 1.271 178 F CA -0.700 57.486 58.000 0.309 0.000 1.138 178 F CB -0.081 39.121 39.000 0.336 0.000 1.449 178 F HN 0.019 nan 8.300 nan 0.000 0.645 179 S N 2.403 117.882 115.700 -0.367 0.000 2.489 179 S HA 0.318 4.788 4.470 -0.001 0.000 0.291 179 S C 0.802 175.088 174.600 -0.523 0.000 1.151 179 S CA 0.020 58.001 58.200 -0.365 0.000 1.082 179 S CB 1.483 64.544 63.200 -0.232 0.000 1.019 179 S HN 0.629 nan 8.310 nan 0.000 0.492 180 T N -0.628 113.695 114.554 -0.385 0.000 3.086 180 T HA 0.476 4.826 4.350 -0.001 0.000 0.250 180 T C 1.504 176.121 174.700 -0.138 0.000 1.074 180 T CA 0.499 62.426 62.100 -0.287 0.000 0.988 180 T CB -0.396 68.378 68.868 -0.157 0.000 0.988 180 T HN 1.789 nan 8.240 nan 0.000 0.530 181 G N 2.127 110.857 108.800 -0.117 0.000 2.358 181 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.224 181 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.224 181 G C -0.085 174.797 174.900 -0.030 0.000 1.073 181 G CA 0.174 45.231 45.100 -0.072 0.000 0.635 181 G HN 0.801 nan 8.290 nan 0.000 0.509 182 D N 0.492 120.899 120.400 0.011 0.000 2.539 182 D HA 0.492 5.132 4.640 -0.001 0.000 0.280 182 D C 1.365 177.687 176.300 0.037 0.000 1.208 182 D CA 0.020 54.047 54.000 0.044 0.000 1.088 182 D CB -0.047 40.822 40.800 0.116 0.000 1.149 182 D HN 0.251 nan 8.370 nan 0.000 0.596 183 E N -0.314 119.872 120.200 -0.023 0.000 2.485 183 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 183 E C 0.017 176.506 176.600 -0.185 0.000 1.098 183 E CA 0.500 56.836 56.400 -0.107 0.000 0.878 183 E CB -0.579 29.020 29.700 -0.168 0.000 0.939 183 E HN 0.514 nan 8.360 nan 0.000 0.503 184 H N 0.463 119.579 119.070 0.077 0.000 2.505 184 H HA 0.271 4.827 4.556 -0.001 0.000 0.289 184 H C -0.106 175.310 175.328 0.147 0.000 1.052 184 H CA 0.211 56.315 56.048 0.094 0.000 1.156 184 H CB 0.609 30.409 29.762 0.062 0.000 1.507 184 H HN 0.122 nan 8.280 nan 0.000 0.548 185 S N 0.309 116.177 115.700 0.280 0.000 4.368 185 S HA -0.017 4.452 4.470 -0.001 0.000 0.068 185 S C 0.927 175.704 174.600 0.296 0.000 0.860 185 S CA -0.510 57.964 58.200 0.457 0.000 0.853 185 S CB -0.570 62.822 63.200 0.320 0.000 0.797 185 S HN 0.347 nan 8.310 nan 0.000 0.762 186 R N 1.267 121.891 120.500 0.207 0.000 2.139 186 R HA 0.123 4.463 4.340 -0.001 0.000 0.243 186 R C 1.575 177.652 176.300 -0.371 0.000 1.145 186 R CA 1.404 57.456 56.100 -0.080 0.000 0.976 186 R CB -0.328 29.930 30.300 -0.070 0.000 0.866 186 R HN 1.051 nan 8.270 nan 0.000 0.449 187 G N -0.128 108.110 108.800 -0.936 0.000 2.582 187 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.222 187 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.222 187 G C -0.465 173.538 174.900 -1.495 0.000 1.311 187 G CA -0.339 43.972 45.100 -1.315 0.000 0.915 187 G HN 0.295 nan 8.290 nan 0.000 0.528 188 N N -1.128 117.089 118.700 -0.805 0.000 2.741 188 N HA -0.209 4.531 4.740 -0.001 0.000 0.250 188 N C 1.269 176.523 175.510 -0.426 0.000 1.115 188 N CA 1.949 54.780 53.050 -0.364 0.000 0.724 188 N CB -1.546 36.884 38.487 -0.095 0.000 1.090 188 N HN 0.723 nan 8.380 nan 0.000 0.558 189 W N 0.631 121.790 121.300 -0.235 0.000 2.321 189 W HA -0.150 4.509 4.660 -0.001 0.000 0.306 189 W C 2.511 178.888 176.519 -0.238 0.000 1.217 189 W CA 0.711 57.950 57.345 -0.176 0.000 1.257 189 W CB -0.715 28.670 29.460 -0.126 0.000 1.145 189 W HN 0.292 nan 8.180 nan 0.000 0.509 190 G N 0.049 108.597 108.800 -0.420 0.000 2.446 190 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.217 190 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.217 190 G C 1.208 176.036 174.900 -0.119 0.000 1.168 190 G CA 1.408 46.373 45.100 -0.225 0.000 0.771 190 G HN 0.315 nan 8.290 nan 0.000 0.551 191 H N 0.140 119.178 119.070 -0.053 0.000 2.428 191 H HA 0.124 4.679 4.556 -0.001 0.000 0.296 191 H C 2.680 178.004 175.328 -0.006 0.000 1.062 191 H CA 0.661 56.679 56.048 -0.050 0.000 1.350 191 H CB -0.118 29.636 29.762 -0.014 0.000 1.403 191 H HN 0.281 nan 8.280 nan 0.000 0.533 192 L N 0.334 121.653 121.223 0.160 0.000 2.156 192 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 192 L C 1.858 178.844 176.870 0.192 0.000 1.095 192 L CA 0.780 55.724 54.840 0.174 0.000 0.770 192 L CB -0.106 42.091 42.059 0.230 0.000 0.914 192 L HN 0.072 nan 8.230 nan 0.000 0.439 193 D N -0.249 120.276 120.400 0.208 0.000 2.183 193 D HA -0.148 4.492 4.640 -0.001 0.000 0.203 193 D C 2.279 178.743 176.300 0.274 0.000 0.969 193 D CA 0.895 55.079 54.000 0.307 0.000 0.842 193 D CB 0.013 41.013 40.800 0.333 0.000 0.957 193 D HN 0.405 nan 8.370 nan 0.000 0.484 194 Q N 0.197 120.071 119.800 0.123 0.000 2.079 194 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 194 Q C 2.351 178.351 176.000 0.000 0.000 0.974 194 Q CA 0.802 56.602 55.803 -0.004 0.000 0.840 194 Q CB 0.055 28.722 28.738 -0.119 0.000 0.898 194 Q HN 0.154 nan 8.270 nan 0.000 0.430 195 V N 1.204 121.152 119.914 0.056 0.000 2.407 195 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 195 V C 2.253 178.409 176.094 0.103 0.000 1.055 195 V CA 1.766 64.108 62.300 0.069 0.000 1.049 195 V CB -0.887 30.992 31.823 0.094 0.000 0.662 195 V HN 0.378 nan 8.190 nan 0.000 0.455 196 A N -0.188 122.730 122.820 0.163 0.000 2.015 196 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 196 A C 2.388 180.074 177.584 0.170 0.000 1.163 196 A CA 1.708 53.895 52.037 0.250 0.000 0.646 196 A CB -0.520 18.713 19.000 0.390 0.000 0.806 196 A HN 0.538 nan 8.150 nan 0.000 0.448 197 A N -0.001 122.716 122.820 -0.172 0.000 1.873 197 A HA 0.002 4.321 4.320 -0.001 0.000 0.215 197 A C 2.089 179.628 177.584 -0.076 0.000 1.186 197 A CA 1.328 53.007 52.037 -0.597 0.000 0.616 197 A CB -0.619 17.902 19.000 -0.798 0.000 0.823 197 A HN 0.443 nan 8.150 nan 0.000 0.442 198 L N -0.756 120.458 121.223 -0.013 0.000 2.127 198 L HA -0.223 4.117 4.340 -0.001 0.000 0.211 198 L C 2.864 179.808 176.870 0.124 0.000 1.089 198 L CA 1.278 56.160 54.840 0.069 0.000 0.757 198 L CB -0.497 41.595 42.059 0.056 0.000 0.899 198 L HN 0.408 nan 8.230 nan 0.000 0.434 199 R N -1.164 119.424 120.500 0.147 0.000 2.073 199 R HA -0.203 4.136 4.340 -0.001 0.000 0.229 199 R C 2.066 178.476 176.300 0.184 0.000 1.120 199 R CA 1.705 57.899 56.100 0.156 0.000 0.967 199 R CB -0.589 29.815 30.300 0.173 0.000 0.862 199 R HN 0.402 nan 8.270 nan 0.000 0.436 200 W N 1.519 122.866 121.300 0.079 0.000 2.338 200 W HA -0.218 4.442 4.660 -0.001 0.000 0.304 200 W C 1.853 178.407 176.519 0.058 0.000 1.212 200 W CA 1.303 58.711 57.345 0.106 0.000 1.264 200 W CB -0.185 29.363 29.460 0.147 0.000 1.142 200 W HN -0.239 nan 8.180 nan 0.000 0.512 201 V N 0.914 120.994 119.914 0.275 0.000 2.407 201 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 201 V C 2.563 178.639 176.094 -0.030 0.000 1.055 201 V CA 1.978 64.350 62.300 0.119 0.000 1.049 201 V CB -0.945 30.995 31.823 0.196 0.000 0.662 201 V HN 0.218 nan 8.190 nan 0.000 0.455 202 Q N 0.804 120.609 119.800 0.009 0.000 2.002 202 Q HA -0.157 4.182 4.340 -0.001 0.000 0.204 202 Q C 1.222 177.177 176.000 -0.074 0.000 0.988 202 Q CA 1.755 57.556 55.803 -0.002 0.000 0.843 202 Q CB -0.478 28.276 28.738 0.028 0.000 0.908 202 Q HN 0.818 nan 8.270 nan 0.000 0.420 203 D N -0.601 119.717 120.400 -0.138 0.000 3.071 203 D HA 0.157 4.797 4.640 -0.001 0.000 0.259 203 D C 0.327 176.429 176.300 -0.330 0.000 1.331 203 D CA -0.092 53.799 54.000 -0.182 0.000 0.861 203 D CB 0.235 40.952 40.800 -0.138 0.000 1.059 203 D HN 0.083 nan 8.370 nan 0.000 0.486 204 N N -0.084 118.380 118.700 -0.392 0.000 2.228 204 N HA -0.050 4.690 4.740 -0.001 0.000 0.299 204 N C 1.302 176.650 175.510 -0.270 0.000 0.829 204 N CA -0.275 52.460 53.050 -0.525 0.000 0.772 204 N CB 0.297 37.987 38.487 -1.328 0.000 2.041 204 N HN -0.004 nan 8.380 nan 0.000 1.019 205 I N 2.878 123.302 120.570 -0.243 0.000 2.623 205 I HA -0.104 4.066 4.170 -0.001 0.000 0.261 205 I C 1.929 178.098 176.117 0.087 0.000 1.204 205 I CA 0.940 62.237 61.300 -0.004 0.000 1.444 205 I CB -0.334 37.674 38.000 0.013 0.000 1.094 205 I HN 0.219 nan 8.210 nan 0.000 0.451 206 A N -1.353 121.471 122.820 0.007 0.000 2.172 206 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 206 A C 2.358 179.941 177.584 -0.002 0.000 1.154 206 A CA 1.628 53.668 52.037 0.005 0.000 0.701 206 A CB -0.551 18.431 19.000 -0.030 0.000 0.789 206 A HN 0.439 nan 8.150 nan 0.000 0.465 207 S N -1.351 114.347 115.700 -0.003 0.000 2.503 207 S HA 0.163 4.632 4.470 -0.001 0.000 0.217 207 S C 0.627 175.073 174.600 -0.257 0.000 0.999 207 S CA 0.163 58.285 58.200 -0.130 0.000 0.914 207 S CB -0.243 62.836 63.200 -0.202 0.000 0.782 207 S HN 0.555 nan 8.310 nan 0.000 0.520 208 F N 1.394 121.296 119.950 -0.079 0.000 2.660 208 F HA 0.365 4.892 4.527 -0.001 0.000 0.302 208 F C 1.703 177.508 175.800 0.007 0.000 1.103 208 F CA -0.071 57.890 58.000 -0.066 0.000 1.340 208 F CB 0.003 38.941 39.000 -0.104 0.000 1.048 208 F HN 0.276 nan 8.300 nan 0.000 0.551 209 G N 0.127 108.997 108.800 0.118 0.000 2.157 209 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.248 209 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.248 209 G C 0.636 175.598 174.900 0.103 0.000 0.979 209 G CA -0.169 44.990 45.100 0.098 0.000 0.650 209 G HN 0.745 nan 8.290 nan 0.000 0.529 210 G N -0.545 108.327 108.800 0.120 0.000 2.511 210 G HA2 0.534 4.494 3.960 -0.001 0.000 0.316 210 G HA3 0.534 4.494 3.960 -0.001 0.000 0.316 210 G C -0.378 174.560 174.900 0.063 0.000 1.210 210 G CA -0.027 45.132 45.100 0.099 0.000 0.969 210 G HN 0.756 nan 8.290 nan 0.000 0.492 211 N N 0.330 119.062 118.700 0.052 0.000 2.564 211 N HA 0.336 5.076 4.740 -0.001 0.000 0.248 211 N C -1.443 174.092 175.510 0.042 0.000 0.986 211 N CA -2.240 50.827 53.050 0.027 0.000 0.921 211 N CB 2.164 40.651 38.487 0.000 0.000 1.136 211 N HN 0.095 nan 8.380 nan 0.000 0.509 212 P HA 0.004 nan 4.420 nan 0.000 0.234 212 P C 0.577 177.972 177.300 0.158 0.000 1.162 212 P CA 0.609 63.764 63.100 0.091 0.000 0.759 212 P CB -0.024 31.703 31.700 0.045 0.000 0.813 213 G N -1.277 107.552 108.800 0.047 0.000 3.393 213 G HA2 0.118 4.078 3.960 -0.001 0.000 0.255 213 G HA3 0.118 4.078 3.960 -0.001 0.000 0.255 213 G C 0.521 175.069 174.900 -0.587 0.000 1.097 213 G CA 0.038 45.083 45.100 -0.092 0.000 0.780 213 G HN 0.295 nan 8.290 nan 0.000 0.540 214 S N 0.074 115.596 115.700 -0.297 0.000 2.745 214 S HA 0.260 4.730 4.470 -0.001 0.000 0.232 214 S C -0.152 174.512 174.600 0.107 0.000 0.804 214 S CA -0.325 57.705 58.200 -0.283 0.000 1.071 214 S CB -0.052 63.038 63.200 -0.184 0.000 1.480 214 S HN -0.020 nan 8.310 nan 0.000 0.467 215 V N 2.307 122.469 119.914 0.414 0.000 2.614 215 V HA 0.424 4.543 4.120 -0.001 0.000 0.291 215 V C 0.458 176.729 176.094 0.295 0.000 1.049 215 V CA 0.219 62.702 62.300 0.306 0.000 1.038 215 V CB 1.422 33.412 31.823 0.278 0.000 0.980 215 V HN 0.514 nan 8.190 nan 0.000 0.481 216 T N 5.997 120.682 114.554 0.217 0.000 2.847 216 T HA 0.555 4.905 4.350 -0.001 0.000 0.291 216 T C -0.252 174.609 174.700 0.268 0.000 0.998 216 T CA -0.227 61.995 62.100 0.204 0.000 0.967 216 T CB 0.711 69.634 68.868 0.091 0.000 0.954 216 T HN 0.587 nan 8.240 nan 0.000 0.441 217 I N 1.537 122.268 120.570 0.268 0.000 2.499 217 I HA 0.913 5.083 4.170 -0.001 0.000 0.296 217 I C -0.815 175.565 176.117 0.439 0.000 0.992 217 I CA -0.959 60.512 61.300 0.285 0.000 1.297 217 I CB 0.985 38.956 38.000 -0.048 0.000 1.410 217 I HN 0.520 nan 8.210 nan 0.000 0.507 218 F N 2.212 122.190 119.950 0.046 0.000 2.688 218 F HA 0.928 5.455 4.527 -0.001 0.000 0.308 218 F C -0.622 175.042 175.800 -0.225 0.000 1.117 218 F CA -1.246 56.780 58.000 0.042 0.000 0.976 218 F CB 0.961 40.104 39.000 0.238 0.000 1.291 218 F HN 0.860 nan 8.300 nan 0.000 0.439 219 G N 0.874 109.391 108.800 -0.471 0.000 2.623 219 G HA2 0.519 4.479 3.960 -0.001 0.000 0.290 219 G HA3 0.519 4.479 3.960 -0.001 0.000 0.290 219 G C -2.524 172.079 174.900 -0.494 0.000 1.437 219 G CA -0.804 43.648 45.100 -1.079 0.000 0.798 219 G HN 0.985 nan 8.290 nan 0.000 0.488 220 E N 0.088 120.015 120.200 -0.455 0.000 2.244 220 E HA 0.615 4.965 4.350 -0.001 0.000 0.266 220 E C 0.642 177.263 176.600 0.034 0.000 0.914 220 E CA 0.351 56.730 56.400 -0.035 0.000 0.794 220 E CB 2.127 31.922 29.700 0.158 0.000 1.210 220 E HN 0.943 nan 8.360 nan 0.000 0.414 221 S N 2.184 117.975 115.700 0.152 0.000 4.059 221 S HA -0.394 4.076 4.470 -0.001 0.000 0.624 221 S C 1.469 176.128 174.600 0.099 0.000 2.019 221 S CA 2.006 60.358 58.200 0.255 0.000 4.197 221 S CB -1.708 61.700 63.200 0.348 0.000 0.215 221 S HN 1.091 nan 8.310 nan 0.000 0.609 222 A N 0.932 123.784 122.820 0.053 0.000 1.948 222 A HA 0.069 4.389 4.320 -0.001 0.000 0.220 222 A C 2.571 180.116 177.584 -0.064 0.000 1.177 222 A CA 2.762 54.785 52.037 -0.022 0.000 0.636 222 A CB -1.717 17.262 19.000 -0.036 0.000 0.815 222 A HN 1.693 nan 8.150 nan 0.000 0.449 223 G N -0.704 108.026 108.800 -0.117 0.000 2.421 223 G HA2 0.035 3.994 3.960 -0.001 0.000 0.216 223 G HA3 0.035 3.994 3.960 -0.001 0.000 0.216 223 G C 1.577 176.352 174.900 -0.208 0.000 1.171 223 G CA 1.223 46.175 45.100 -0.247 0.000 0.775 223 G HN 0.743 nan 8.290 nan 0.000 0.543 224 G N 0.402 109.125 108.800 -0.128 0.000 2.469 224 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.219 224 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.219 224 G C 1.613 176.492 174.900 -0.034 0.000 1.150 224 G CA 1.312 46.378 45.100 -0.056 0.000 0.763 224 G HN 0.467 nan 8.290 nan 0.000 0.561 225 E N 0.716 120.896 120.200 -0.033 0.000 2.072 225 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 225 E C 2.688 179.251 176.600 -0.060 0.000 0.982 225 E CA 1.077 57.453 56.400 -0.042 0.000 0.803 225 E CB -0.330 29.341 29.700 -0.049 0.000 0.755 225 E HN 0.322 nan 8.360 nan 0.000 0.453 226 S N 0.396 116.068 115.700 -0.047 0.000 2.380 226 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 226 S C 2.084 176.597 174.600 -0.146 0.000 1.043 226 S CA 1.403 59.578 58.200 -0.042 0.000 1.038 226 S CB -0.339 62.782 63.200 -0.131 0.000 0.872 226 S HN 0.144 nan 8.310 nan 0.000 0.456 227 V N 0.906 120.736 119.914 -0.141 0.000 2.216 227 V HA -0.177 3.942 4.120 -0.001 0.000 0.243 227 V C 2.521 178.540 176.094 -0.125 0.000 1.044 227 V CA 2.024 64.236 62.300 -0.147 0.000 0.995 227 V CB -1.145 30.647 31.823 -0.052 0.000 0.633 227 V HN 0.565 nan 8.190 nan 0.000 0.446 228 S N -0.291 115.399 115.700 -0.017 0.000 2.393 228 S HA -0.275 4.194 4.470 -0.001 0.000 0.235 228 S C 2.000 176.529 174.600 -0.118 0.000 1.061 228 S CA 2.390 60.586 58.200 -0.008 0.000 1.129 228 S CB -0.501 62.730 63.200 0.052 0.000 1.011 228 S HN 0.293 nan 8.310 nan 0.000 0.436 229 V N 1.978 121.794 119.914 -0.163 0.000 2.278 229 V HA -0.241 3.878 4.120 -0.001 0.000 0.251 229 V C 2.407 178.369 176.094 -0.220 0.000 1.062 229 V CA 2.339 64.492 62.300 -0.246 0.000 1.038 229 V CB -0.770 30.787 31.823 -0.443 0.000 0.646 229 V HN 0.519 nan 8.190 nan 0.000 0.447 230 L N -0.745 120.347 121.223 -0.220 0.000 2.201 230 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 230 L C 2.381 179.242 176.870 -0.015 0.000 1.105 230 L CA 0.802 55.539 54.840 -0.171 0.000 0.775 230 L CB -0.549 41.320 42.059 -0.318 0.000 0.913 230 L HN 0.204 nan 8.230 nan 0.000 0.440 231 V N 0.044 119.932 119.914 -0.043 0.000 2.427 231 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 231 V C 2.210 178.380 176.094 0.126 0.000 1.051 231 V CA 1.545 63.923 62.300 0.131 0.000 1.048 231 V CB -0.230 31.489 31.823 -0.172 0.000 0.666 231 V HN 0.365 nan 8.190 nan 0.000 0.456 232 L N -0.590 120.591 121.223 -0.070 0.000 2.270 232 L HA 0.078 4.418 4.340 -0.001 0.000 0.210 232 L C 1.513 178.163 176.870 -0.366 0.000 1.104 232 L CA 0.443 55.122 54.840 -0.268 0.000 0.804 232 L CB -0.248 41.672 42.059 -0.231 0.000 0.937 232 L HN 0.240 nan 8.230 nan 0.000 0.450 233 S N 0.239 115.870 115.700 -0.115 0.000 2.549 233 S HA 0.116 4.586 4.470 -0.001 0.000 0.283 233 S C -1.665 173.066 174.600 0.217 0.000 1.320 233 S CA -1.103 57.080 58.200 -0.029 0.000 1.058 233 S CB 0.928 64.123 63.200 -0.009 0.000 0.882 233 S HN -0.082 nan 8.310 nan 0.000 0.498 234 P HA 0.113 nan 4.420 nan 0.000 0.241 234 P C 0.995 178.434 177.300 0.232 0.000 1.191 234 P CA 0.396 63.747 63.100 0.418 0.000 0.771 234 P CB 0.156 32.028 31.700 0.287 0.000 0.929 235 L N -1.161 120.163 121.223 0.168 0.000 2.209 235 L HA 0.022 4.362 4.340 -0.001 0.000 0.207 235 L C 2.191 179.155 176.870 0.157 0.000 1.094 235 L CA 1.193 56.111 54.840 0.130 0.000 0.790 235 L CB -0.928 41.190 42.059 0.098 0.000 0.932 235 L HN -0.020 nan 8.230 nan 0.000 0.447 236 A N -0.083 122.864 122.820 0.212 0.000 2.119 236 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 236 A C 1.271 179.064 177.584 0.347 0.000 1.153 236 A CA 0.197 52.420 52.037 0.310 0.000 0.692 236 A CB -0.337 18.891 19.000 0.379 0.000 0.799 236 A HN 0.250 nan 8.150 nan 0.000 0.458 237 K N 0.793 121.323 120.400 0.216 0.000 2.513 237 K HA -0.163 4.157 4.320 -0.001 0.000 0.275 237 K C -0.132 176.465 176.600 -0.005 0.000 1.025 237 K CA 0.918 57.237 56.287 0.053 0.000 1.125 237 K CB -0.034 32.459 32.500 -0.012 0.000 0.843 237 K HN 0.492 nan 8.250 nan 0.000 0.486 238 N N 1.941 120.566 118.700 -0.125 0.000 2.936 238 N HA -0.238 4.501 4.740 -0.001 0.000 0.236 238 N C 0.327 175.754 175.510 -0.138 0.000 0.930 238 N CA 1.423 54.387 53.050 -0.143 0.000 0.966 238 N CB -1.174 37.290 38.487 -0.039 0.000 1.090 238 N HN 0.595 nan 8.380 nan 0.000 0.592 239 L N -0.453 120.769 121.223 -0.001 0.000 2.592 239 L HA 0.250 4.590 4.340 -0.001 0.000 0.227 239 L C 0.161 177.177 176.870 0.243 0.000 1.127 239 L CA 0.126 55.056 54.840 0.150 0.000 0.884 239 L CB -0.211 41.999 42.059 0.253 0.000 1.065 239 L HN 0.217 nan 8.230 nan 0.000 0.457 240 F N -4.656 115.101 119.950 -0.322 0.000 2.858 240 F HA 0.376 4.902 4.527 -0.001 0.000 0.319 240 F C 0.134 175.546 175.800 -0.646 0.000 1.166 240 F CA -1.211 56.574 58.000 -0.359 0.000 0.899 240 F CB 0.657 39.589 39.000 -0.114 0.000 1.332 240 F HN -0.150 nan 8.300 nan 0.000 0.461 241 H N -0.723 118.332 119.070 -0.026 0.000 3.622 241 H HA 0.417 4.973 4.556 -0.001 0.000 0.259 241 H C -0.502 174.762 175.328 -0.106 0.000 1.145 241 H CA -0.157 55.785 56.048 -0.177 0.000 1.178 241 H CB 1.096 30.786 29.762 -0.120 0.000 1.542 241 H HN 0.482 nan 8.280 nan 0.000 0.586 242 R N 0.620 121.225 120.500 0.175 0.000 2.643 242 R HA 0.731 5.071 4.340 -0.001 0.000 0.269 242 R C -1.374 175.128 176.300 0.337 0.000 1.037 242 R CA -0.700 55.483 56.100 0.138 0.000 0.894 242 R CB 2.752 32.988 30.300 -0.106 0.000 1.238 242 R HN 0.088 nan 8.270 nan 0.000 0.459 243 A N 2.695 125.758 122.820 0.404 0.000 2.498 243 A HA 0.828 5.147 4.320 -0.001 0.000 0.298 243 A C -1.039 176.805 177.584 0.434 0.000 1.075 243 A CA -0.766 51.486 52.037 0.358 0.000 0.714 243 A CB 1.429 20.538 19.000 0.183 0.000 1.299 243 A HN 0.632 nan 8.150 nan 0.000 0.407 244 I N 1.247 121.996 120.570 0.300 0.000 2.500 244 I HA 0.301 4.471 4.170 -0.001 0.000 0.286 244 I C -0.380 175.826 176.117 0.149 0.000 1.063 244 I CA -0.271 61.093 61.300 0.108 0.000 1.062 244 I CB 2.302 40.297 38.000 -0.007 0.000 1.223 244 I HN 0.474 nan 8.210 nan 0.000 0.435 245 S N 5.295 121.006 115.700 0.019 0.000 2.498 245 S HA 0.329 4.799 4.470 -0.001 0.000 0.324 245 S C -0.414 174.195 174.600 0.015 0.000 1.071 245 S CA -0.629 57.580 58.200 0.015 0.000 1.113 245 S CB 0.746 63.932 63.200 -0.024 0.000 0.976 245 S HN 0.474 nan 8.310 nan 0.000 0.462 246 E N 1.868 122.146 120.200 0.130 0.000 2.115 246 E HA 0.325 4.674 4.350 -0.001 0.000 0.282 246 E C -0.397 176.279 176.600 0.127 0.000 0.987 246 E CA -0.505 56.027 56.400 0.221 0.000 0.797 246 E CB 0.903 30.849 29.700 0.409 0.000 1.086 246 E HN 0.608 nan 8.360 nan 0.000 0.397 247 S N 1.994 117.744 115.700 0.084 0.000 3.477 247 S HA -0.102 4.368 4.470 -0.001 0.000 0.426 247 S C 0.048 174.861 174.600 0.355 0.000 0.874 247 S CA 0.498 58.762 58.200 0.107 0.000 1.341 247 S CB -1.150 61.986 63.200 -0.106 0.000 0.917 247 S HN 1.024 nan 8.310 nan 0.000 0.607 248 G N -0.975 108.012 108.800 0.311 0.000 2.277 248 G HA2 0.483 4.442 3.960 -0.001 0.000 0.272 248 G HA3 0.483 4.442 3.960 -0.001 0.000 0.272 248 G C -0.816 174.112 174.900 0.047 0.000 1.692 248 G CA 0.075 45.312 45.100 0.228 0.000 0.926 248 G HN 1.634 nan 8.290 nan 0.000 0.720 249 V N -1.334 118.565 119.914 -0.025 0.000 3.103 249 V HA 0.951 5.071 4.120 -0.001 0.000 0.311 249 V C 1.381 177.433 176.094 -0.070 0.000 1.322 249 V CA 0.052 62.329 62.300 -0.037 0.000 1.063 249 V CB 0.922 32.718 31.823 -0.045 0.000 1.090 249 V HN 2.307 nan 8.190 nan 0.000 0.462 250 A N -0.694 122.091 122.820 -0.058 0.000 2.066 250 A HA 0.239 4.559 4.320 -0.001 0.000 0.218 250 A C 1.603 179.126 177.584 -0.102 0.000 1.157 250 A CA 1.212 53.197 52.037 -0.087 0.000 0.670 250 A CB -0.651 18.300 19.000 -0.081 0.000 0.804 250 A HN 0.782 nan 8.150 nan 0.000 0.453 251 L N 0.350 121.516 121.223 -0.095 0.000 2.627 251 L HA 0.024 4.364 4.340 -0.001 0.000 0.233 251 L C 0.158 176.940 176.870 -0.147 0.000 1.144 251 L CA 0.156 54.932 54.840 -0.105 0.000 0.892 251 L CB -0.570 41.443 42.059 -0.077 0.000 1.039 251 L HN 0.121 nan 8.230 nan 0.000 0.442 252 T N -0.011 114.437 114.554 -0.177 0.000 3.185 252 T HA 0.066 4.416 4.350 -0.001 0.000 0.287 252 T C 1.456 176.017 174.700 -0.232 0.000 1.051 252 T CA -0.023 61.928 62.100 -0.249 0.000 1.051 252 T CB 0.830 69.524 68.868 -0.290 0.000 1.034 252 T HN 0.178 nan 8.240 nan 0.000 0.685 253 S N 2.654 118.216 115.700 -0.230 0.000 2.401 253 S HA -0.179 4.291 4.470 -0.001 0.000 0.236 253 S C 2.356 176.820 174.600 -0.227 0.000 1.058 253 S CA 1.440 59.505 58.200 -0.225 0.000 1.151 253 S CB -0.559 62.489 63.200 -0.253 0.000 1.049 253 S HN 0.609 nan 8.310 nan 0.000 0.432 254 V N 1.165 120.930 119.914 -0.247 0.000 2.613 254 V HA -0.182 3.938 4.120 -0.001 0.000 0.259 254 V C 1.443 177.406 176.094 -0.219 0.000 1.099 254 V CA 1.791 63.954 62.300 -0.229 0.000 1.115 254 V CB -0.377 31.310 31.823 -0.227 0.000 0.686 254 V HN 0.473 nan 8.190 nan 0.000 0.481 255 L N -1.259 119.836 121.223 -0.214 0.000 2.693 255 L HA 0.293 4.632 4.340 -0.001 0.000 0.235 255 L C -0.077 176.680 176.870 -0.188 0.000 1.127 255 L CA -0.110 54.604 54.840 -0.210 0.000 0.914 255 L CB 1.067 43.016 42.059 -0.184 0.000 1.193 255 L HN 0.035 nan 8.230 nan 0.000 0.502 256 V N 1.142 120.952 119.914 -0.173 0.000 2.445 256 V HA 0.281 4.400 4.120 -0.001 0.000 0.283 256 V C -0.427 175.582 176.094 -0.142 0.000 1.014 256 V CA -0.828 61.385 62.300 -0.146 0.000 0.852 256 V CB 1.607 33.349 31.823 -0.136 0.000 1.021 256 V HN 0.016 nan 8.190 nan 0.000 0.435 257 K N 4.284 124.605 120.400 -0.132 0.000 2.297 257 K HA 0.496 4.816 4.320 -0.001 0.000 0.286 257 K C -0.343 176.197 176.600 -0.101 0.000 1.053 257 K CA -0.245 55.971 56.287 -0.118 0.000 0.940 257 K CB 1.430 33.862 32.500 -0.113 0.000 1.019 257 K HN 0.537 nan 8.250 nan 0.000 0.475 258 K N 0.651 120.994 120.400 -0.096 0.000 2.259 258 K HA 0.683 5.003 4.320 -0.001 0.000 0.252 258 K C -0.056 176.503 176.600 -0.069 0.000 0.936 258 K CA -0.705 55.532 56.287 -0.084 0.000 0.810 258 K CB 1.932 34.379 32.500 -0.089 0.000 1.143 258 K HN 0.754 nan 8.250 nan 0.000 0.427 259 G N 1.525 110.289 108.800 -0.061 0.000 2.555 259 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.686 259 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.686 259 G C -1.288 173.583 174.900 -0.048 0.000 1.275 259 G CA -1.043 44.027 45.100 -0.049 0.000 0.871 259 G HN 0.721 nan 8.290 nan 0.000 0.603 260 D N -0.036 120.340 120.400 -0.039 0.000 2.659 260 D HA 0.168 4.808 4.640 -0.001 0.000 0.264 260 D C 1.851 178.125 176.300 -0.043 0.000 1.329 260 D CA 0.919 54.897 54.000 -0.038 0.000 0.963 260 D CB 0.508 41.291 40.800 -0.028 0.000 1.136 260 D HN 1.315 nan 8.370 nan 0.000 0.554 261 V N 1.845 121.724 119.914 -0.057 0.000 3.608 261 V HA 0.052 4.172 4.120 -0.001 0.000 0.269 261 V C 2.146 178.196 176.094 -0.072 0.000 1.245 261 V CA 0.291 62.550 62.300 -0.068 0.000 1.138 261 V CB -0.301 31.468 31.823 -0.090 0.000 0.841 261 V HN 0.275 nan 8.190 nan 0.000 0.451 262 K N 2.356 122.718 120.400 -0.063 0.000 2.059 262 K HA -0.110 4.209 4.320 -0.001 0.000 0.212 262 K C -0.193 176.385 176.600 -0.037 0.000 1.050 262 K CA 2.420 58.672 56.287 -0.059 0.000 0.927 262 K CB -1.734 30.743 32.500 -0.039 0.000 0.714 262 K HN 0.412 nan 8.250 nan 0.000 0.447 263 P HA -0.161 nan 4.420 nan 0.000 0.215 263 P C 1.422 178.728 177.300 0.011 0.000 1.153 263 P CA 1.087 64.186 63.100 -0.003 0.000 0.853 263 P CB -0.009 31.689 31.700 -0.003 0.000 0.788 264 L N -1.172 120.052 121.223 0.001 0.000 2.046 264 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 264 L C 2.156 179.059 176.870 0.056 0.000 1.077 264 L CA 1.682 56.540 54.840 0.029 0.000 0.747 264 L CB -0.767 41.294 42.059 0.004 0.000 0.896 264 L HN -0.040 nan 8.230 nan 0.000 0.432 265 A N -0.205 122.609 122.820 -0.011 0.000 1.877 265 A HA -0.250 4.070 4.320 -0.001 0.000 0.216 265 A C 2.015 179.686 177.584 0.145 0.000 1.186 265 A CA 1.761 53.796 52.037 -0.003 0.000 0.620 265 A CB -0.558 18.294 19.000 -0.245 0.000 0.822 265 A HN 0.536 nan 8.150 nan 0.000 0.443 266 E N -0.788 119.453 120.200 0.068 0.000 2.085 266 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 266 E C 2.264 178.908 176.600 0.073 0.000 0.994 266 E CA 1.390 57.831 56.400 0.067 0.000 0.801 266 E CB -0.190 29.529 29.700 0.032 0.000 0.743 266 E HN 0.786 nan 8.360 nan 0.000 0.453 267 Q N 0.604 120.448 119.800 0.074 0.000 2.096 267 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 267 Q C 2.211 178.260 176.000 0.081 0.000 0.982 267 Q CA 1.337 57.182 55.803 0.070 0.000 0.850 267 Q CB -0.018 28.768 28.738 0.079 0.000 0.901 267 Q HN 0.317 nan 8.270 nan 0.000 0.422 268 I N 0.221 120.873 120.570 0.136 0.000 2.202 268 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 268 I C 2.451 178.600 176.117 0.053 0.000 1.091 268 I CA 0.880 62.256 61.300 0.127 0.000 1.368 268 I CB -0.568 37.593 38.000 0.268 0.000 1.058 268 I HN 0.227 nan 8.210 nan 0.000 0.410 269 A N 1.209 124.085 122.820 0.092 0.000 1.940 269 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 269 A C 2.300 179.882 177.584 -0.004 0.000 1.176 269 A CA 1.628 53.679 52.037 0.023 0.000 0.631 269 A CB -0.790 18.258 19.000 0.080 0.000 0.814 269 A HN 0.417 nan 8.150 nan 0.000 0.446 270 I N -0.979 119.599 120.570 0.013 0.000 2.233 270 I HA -0.166 4.004 4.170 -0.001 0.000 0.243 270 I C 2.473 178.582 176.117 -0.014 0.000 1.093 270 I CA 1.575 62.875 61.300 -0.000 0.000 1.380 270 I CB -0.703 37.302 38.000 0.008 0.000 1.067 270 I HN 0.213 nan 8.210 nan 0.000 0.413 271 T N 0.959 115.504 114.554 -0.014 0.000 2.803 271 T HA -0.173 4.177 4.350 -0.001 0.000 0.269 271 T C 1.897 176.569 174.700 -0.045 0.000 1.052 271 T CA 1.508 63.590 62.100 -0.031 0.000 1.136 271 T CB -0.225 68.620 68.868 -0.039 0.000 0.864 271 T HN 0.485 nan 8.240 nan 0.000 0.467 272 A N 0.333 123.119 122.820 -0.056 0.000 2.021 272 A HA 0.508 4.827 4.320 -0.001 0.000 0.216 272 A C 1.687 179.236 177.584 -0.058 0.000 1.163 272 A CA 0.879 52.873 52.037 -0.071 0.000 0.676 272 A CB -0.332 18.603 19.000 -0.109 0.000 0.818 272 A HN 0.845 nan 8.150 nan 0.000 0.453 273 G N -1.702 107.070 108.800 -0.046 0.000 2.580 273 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.204 273 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.204 273 G C -0.394 174.481 174.900 -0.040 0.000 1.107 273 G CA -0.339 44.739 45.100 -0.037 0.000 0.881 273 G HN 0.671 nan 8.290 nan 0.000 0.497 274 c N 0.138 118.716 118.600 -0.038 0.000 2.547 274 c HA 0.698 5.268 4.570 -0.001 0.000 0.313 274 c C 0.941 175.022 174.090 -0.015 0.000 1.191 274 c CA -1.106 55.202 56.329 -0.035 0.000 1.474 274 c CB 1.587 44.064 42.510 -0.054 0.000 2.081 274 c HN 0.697 nan 8.230 nan 0.000 0.476 275 K N 0.626 121.021 120.400 -0.008 0.000 2.181 275 K HA 0.281 4.601 4.320 -0.001 0.000 0.239 275 K C 1.024 177.627 176.600 0.005 0.000 1.073 275 K CA 0.554 56.841 56.287 -0.000 0.000 0.839 275 K CB 0.216 32.718 32.500 0.004 0.000 1.116 275 K HN 0.874 nan 8.250 nan 0.000 0.518 276 T N -4.395 110.162 114.554 0.005 0.000 3.328 276 T HA 0.066 4.416 4.350 -0.001 0.000 0.305 276 T C 1.083 175.781 174.700 -0.003 0.000 0.939 276 T CA -0.334 61.770 62.100 0.006 0.000 0.950 276 T CB 0.035 68.909 68.868 0.010 0.000 1.182 276 T HN 0.397 nan 8.240 nan 0.000 0.545 277 T N 3.277 117.827 114.554 -0.006 0.000 2.649 277 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 277 T C 1.106 175.792 174.700 -0.024 0.000 1.036 277 T CA 2.258 64.351 62.100 -0.012 0.000 1.157 277 T CB -0.487 68.374 68.868 -0.012 0.000 0.861 277 T HN 0.900 nan 8.240 nan 0.000 0.445 278 T N -2.450 112.083 114.554 -0.035 0.000 2.932 278 T HA 0.481 4.831 4.350 -0.001 0.000 0.318 278 T C 0.841 175.492 174.700 -0.082 0.000 1.265 278 T CA -0.317 61.744 62.100 -0.065 0.000 1.036 278 T CB 1.765 70.575 68.868 -0.097 0.000 1.209 278 T HN -0.166 nan 8.240 nan 0.000 0.484 279 S N 1.218 116.858 115.700 -0.099 0.000 2.372 279 S HA -0.182 4.288 4.470 -0.001 0.000 0.227 279 S C 2.521 177.047 174.600 -0.123 0.000 1.044 279 S CA 1.977 60.128 58.200 -0.081 0.000 1.050 279 S CB -1.005 62.162 63.200 -0.055 0.000 0.901 279 S HN 1.039 nan 8.310 nan 0.000 0.447 280 A N 1.150 123.759 122.820 -0.351 0.000 1.884 280 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 280 A C 2.365 179.912 177.584 -0.062 0.000 1.197 280 A CA 2.159 54.005 52.037 -0.317 0.000 0.637 280 A CB -1.208 17.520 19.000 -0.454 0.000 0.827 280 A HN 0.377 nan 8.150 nan 0.000 0.450 281 V N -0.080 119.803 119.914 -0.051 0.000 2.332 281 V HA -0.369 3.751 4.120 -0.001 0.000 0.248 281 V C 2.617 178.754 176.094 0.072 0.000 1.055 281 V CA 2.301 64.623 62.300 0.036 0.000 1.038 281 V CB -0.869 30.962 31.823 0.014 0.000 0.651 281 V HN 0.566 nan 8.190 nan 0.000 0.450 282 M N -0.250 119.371 119.600 0.035 0.000 2.126 282 M HA -0.191 4.289 4.480 -0.001 0.000 0.259 282 M C 2.299 178.608 176.300 0.015 0.000 1.073 282 M CA 2.108 57.431 55.300 0.038 0.000 1.103 282 M CB -0.734 31.919 32.600 0.088 0.000 1.284 282 M HN 0.258 nan 8.290 nan 0.000 0.420 283 V N -0.077 119.874 119.914 0.061 0.000 2.370 283 V HA -0.331 3.789 4.120 -0.001 0.000 0.252 283 V C 2.300 178.399 176.094 0.008 0.000 1.068 283 V CA 2.501 64.798 62.300 -0.004 0.000 1.061 283 V CB -1.376 30.505 31.823 0.096 0.000 0.656 283 V HN 0.522 nan 8.190 nan 0.000 0.455 284 H N -0.218 118.843 119.070 -0.014 0.000 2.290 284 H HA -0.230 4.326 4.556 -0.001 0.000 0.298 284 H C 2.427 177.748 175.328 -0.012 0.000 1.087 284 H CA 2.372 58.421 56.048 0.001 0.000 1.291 284 H CB -0.879 28.882 29.762 -0.001 0.000 1.369 284 H HN 0.462 nan 8.280 nan 0.000 0.492 285 c N 0.210 118.691 118.600 -0.199 0.000 2.413 285 c HA -0.098 4.471 4.570 -0.001 0.000 0.276 285 c C 2.928 176.898 174.090 -0.199 0.000 1.236 285 c CA 1.063 57.243 56.329 -0.249 0.000 1.735 285 c CB -1.548 40.890 42.510 -0.120 0.000 2.031 285 c HN 0.678 nan 8.230 nan 0.000 0.474 286 L N 0.486 121.592 121.223 -0.195 0.000 2.043 286 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 286 L C 3.074 179.933 176.870 -0.019 0.000 1.075 286 L CA 1.796 56.516 54.840 -0.199 0.000 0.752 286 L CB -0.691 41.059 42.059 -0.515 0.000 0.891 286 L HN 0.424 nan 8.230 nan 0.000 0.432 287 R N -0.398 120.120 120.500 0.030 0.000 2.105 287 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 287 R C 2.125 178.402 176.300 -0.038 0.000 1.135 287 R CA 1.058 57.199 56.100 0.069 0.000 0.967 287 R CB -0.296 30.048 30.300 0.073 0.000 0.861 287 R HN 0.466 nan 8.270 nan 0.000 0.442 288 Q N 0.909 120.633 119.800 -0.127 0.000 2.297 288 Q HA 0.016 4.355 4.340 -0.001 0.000 0.204 288 Q C 0.275 176.230 176.000 -0.074 0.000 0.962 288 Q CA 0.880 56.610 55.803 -0.122 0.000 0.879 288 Q CB -0.007 28.620 28.738 -0.186 0.000 0.947 288 Q HN 0.081 nan 8.270 nan 0.000 0.462 289 K N 2.181 122.539 120.400 -0.070 0.000 2.350 289 K HA 0.103 4.422 4.320 -0.001 0.000 0.279 289 K C 0.593 177.185 176.600 -0.014 0.000 1.027 289 K CA 0.060 56.316 56.287 -0.051 0.000 0.969 289 K CB 0.480 32.934 32.500 -0.078 0.000 0.954 289 K HN 0.230 nan 8.250 nan 0.000 0.474 290 T N -1.996 112.560 114.554 0.003 0.000 2.788 290 T HA 0.035 4.385 4.350 -0.001 0.000 0.287 290 T C 1.359 176.116 174.700 0.095 0.000 1.007 290 T CA -0.484 61.637 62.100 0.036 0.000 1.005 290 T CB 1.093 69.975 68.868 0.023 0.000 1.012 290 T HN 0.653 nan 8.240 nan 0.000 0.530 291 E N 0.298 120.582 120.200 0.140 0.000 2.058 291 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 291 E C 1.728 178.464 176.600 0.227 0.000 0.997 291 E CA 1.504 58.065 56.400 0.268 0.000 0.801 291 E CB -0.177 29.592 29.700 0.114 0.000 0.746 291 E HN 0.735 nan 8.360 nan 0.000 0.450 292 E N 0.677 120.942 120.200 0.107 0.000 2.160 292 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 292 E C 1.792 178.434 176.600 0.068 0.000 0.991 292 E CA 1.355 57.800 56.400 0.074 0.000 0.810 292 E CB -0.035 29.685 29.700 0.034 0.000 0.742 292 E HN 0.455 nan 8.360 nan 0.000 0.466 293 E N -0.413 119.819 120.200 0.054 0.000 2.170 293 E HA 0.007 4.356 4.350 -0.001 0.000 0.191 293 E C 1.864 178.468 176.600 0.007 0.000 0.981 293 E CA 0.335 56.746 56.400 0.017 0.000 0.830 293 E CB 0.071 29.767 29.700 -0.006 0.000 0.775 293 E HN 0.248 nan 8.360 nan 0.000 0.470 294 L N 0.659 121.904 121.223 0.037 0.000 2.341 294 L HA -0.041 4.299 4.340 -0.001 0.000 0.214 294 L C 2.245 179.147 176.870 0.053 0.000 1.115 294 L CA 0.133 54.926 54.840 -0.077 0.000 0.820 294 L CB -0.007 41.877 42.059 -0.291 0.000 0.944 294 L HN 0.170 nan 8.230 nan 0.000 0.452 295 L N -0.482 120.902 121.223 0.269 0.000 2.270 295 L HA -0.033 4.307 4.340 -0.001 0.000 0.210 295 L C 2.072 179.012 176.870 0.117 0.000 1.104 295 L CA 1.542 56.565 54.840 0.305 0.000 0.804 295 L CB -0.269 41.939 42.059 0.249 0.000 0.937 295 L HN 0.136 nan 8.230 nan 0.000 0.450 296 E N -1.230 119.005 120.200 0.059 0.000 2.285 296 E HA -0.087 4.263 4.350 -0.001 0.000 0.194 296 E C 1.652 178.236 176.600 -0.026 0.000 0.997 296 E CA 1.104 57.511 56.400 0.012 0.000 0.845 296 E CB 0.075 29.777 29.700 0.003 0.000 0.782 296 E HN 0.451 nan 8.360 nan 0.000 0.491 297 T N 0.193 114.723 114.554 -0.041 0.000 2.978 297 T HA -0.056 4.293 4.350 -0.001 0.000 0.262 297 T C 1.836 176.448 174.700 -0.146 0.000 1.063 297 T CA 1.112 63.157 62.100 -0.091 0.000 1.140 297 T CB -0.048 68.758 68.868 -0.103 0.000 0.886 297 T HN 0.123 nan 8.240 nan 0.000 0.470 298 T N 2.100 116.594 114.554 -0.099 0.000 3.072 298 T HA 0.181 4.531 4.350 -0.001 0.000 0.266 298 T C 1.712 176.301 174.700 -0.184 0.000 1.127 298 T CA 0.571 62.593 62.100 -0.130 0.000 1.107 298 T CB -0.116 68.810 68.868 0.096 0.000 0.910 298 T HN 0.270 nan 8.240 nan 0.000 0.513 299 L N -0.080 121.073 121.223 -0.116 0.000 2.200 299 L HA 0.193 4.532 4.340 -0.001 0.000 0.200 299 L C 2.506 179.295 176.870 -0.134 0.000 1.072 299 L CA 0.712 55.496 54.840 -0.093 0.000 0.787 299 L CB -0.243 41.795 42.059 -0.035 0.000 0.957 299 L HN 0.035 nan 8.230 nan 0.000 0.459 300 K N 0.007 120.330 120.400 -0.129 0.000 2.211 300 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 300 K C 1.905 178.403 176.600 -0.171 0.000 1.047 300 K CA 1.235 57.451 56.287 -0.117 0.000 0.935 300 K CB -0.023 32.421 32.500 -0.093 0.000 0.728 300 K HN 0.222 nan 8.250 nan 0.000 0.452 301 M N 0.791 120.200 119.600 -0.319 0.000 2.619 301 M HA -0.030 4.450 4.480 -0.001 0.000 0.251 301 M C 0.052 176.114 176.300 -0.396 0.000 1.106 301 M CA 0.653 55.667 55.300 -0.478 0.000 1.086 301 M CB -0.305 31.656 32.600 -1.064 0.000 1.465 301 M HN -0.002 nan 8.290 nan 0.000 0.506 302 K N 1.122 121.370 120.400 -0.252 0.000 3.834 302 K HA -0.191 4.128 4.320 -0.001 0.000 0.276 302 K C 0.139 176.780 176.600 0.069 0.000 0.850 302 K CA 0.413 56.655 56.287 -0.074 0.000 0.704 302 K CB -1.584 30.901 32.500 -0.025 0.000 1.644 302 K HN 0.416 nan 8.250 nan 0.000 0.440 303 F N -0.490 119.473 119.950 0.021 0.000 2.802 303 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 303 F C 1.986 177.792 175.800 0.010 0.000 1.168 303 F CA 0.186 58.197 58.000 0.018 0.000 1.433 303 F CB 0.143 39.160 39.000 0.028 0.000 1.115 303 F HN 0.393 nan 8.300 nan 0.000 0.582 304 L N -1.841 119.501 121.223 0.198 0.000 2.519 304 L HA 0.332 4.671 4.340 -0.001 0.000 0.194 304 L C 1.053 177.975 176.870 0.085 0.000 1.072 304 L CA 0.397 55.302 54.840 0.108 0.000 0.845 304 L CB -0.451 41.654 42.059 0.077 0.000 1.138 304 L HN -0.332 nan 8.230 nan 0.000 0.487 305 S N 1.376 117.125 115.700 0.082 0.000 2.566 305 S HA 0.207 4.676 4.470 -0.001 0.000 0.280 305 S C -0.109 174.539 174.600 0.080 0.000 1.343 305 S CA -0.265 57.979 58.200 0.073 0.000 1.036 305 S CB 0.268 63.501 63.200 0.053 0.000 0.866 305 S HN 0.297 nan 8.310 nan 0.000 0.526 306 L N 2.321 123.593 121.223 0.080 0.000 2.452 306 L HA 0.249 4.588 4.340 -0.001 0.000 0.267 306 L C 0.143 177.028 176.870 0.025 0.000 1.188 306 L CA 0.345 55.219 54.840 0.056 0.000 0.821 306 L CB 0.536 42.618 42.059 0.038 0.000 1.102 306 L HN 0.502 nan 8.230 nan 0.000 0.470 307 D N 2.706 123.113 120.400 0.011 0.000 2.280 307 D HA 0.261 4.901 4.640 -0.001 0.000 0.236 307 D C 0.654 176.945 176.300 -0.014 0.000 1.082 307 D CA -0.266 53.738 54.000 0.007 0.000 0.834 307 D CB 0.979 41.789 40.800 0.017 0.000 1.100 307 D HN 0.434 nan 8.370 nan 0.000 0.486 308 L N 2.085 123.303 121.223 -0.007 0.000 1.861 308 L HA -0.070 4.270 4.340 -0.001 0.000 0.236 308 L C 1.406 178.282 176.870 0.010 0.000 1.072 308 L CA 0.376 55.213 54.840 -0.005 0.000 1.324 308 L CB -0.666 41.395 42.059 0.002 0.000 1.126 308 L HN 0.462 nan 8.230 nan 0.000 0.635 309 Q N 1.459 121.273 119.800 0.023 0.000 2.337 309 Q HA 0.397 4.737 4.340 -0.001 0.000 0.270 309 Q C -0.241 175.780 176.000 0.034 0.000 1.002 309 Q CA 0.491 56.318 55.803 0.039 0.000 0.888 309 Q CB 0.912 29.672 28.738 0.036 0.000 1.222 309 Q HN 0.577 nan 8.270 nan 0.000 0.400 310 G N 2.051 110.882 108.800 0.050 0.000 2.521 310 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.589 310 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.589 310 G C -1.250 173.677 174.900 0.044 0.000 1.501 310 G CA -0.711 44.413 45.100 0.040 0.000 0.887 310 G HN 0.727 nan 8.290 nan 0.000 0.654 311 D N 2.656 123.090 120.400 0.056 0.000 2.536 311 D HA 0.084 4.723 4.640 -0.001 0.000 0.260 311 D C -0.581 175.684 176.300 -0.058 0.000 1.270 311 D CA -0.707 53.333 54.000 0.066 0.000 0.934 311 D CB 1.213 42.044 40.800 0.052 0.000 1.129 311 D HN 0.061 nan 8.370 nan 0.000 0.533 312 P HA -0.144 nan 4.420 nan 0.000 0.218 312 P C 1.213 178.332 177.300 -0.302 0.000 1.146 312 P CA 0.784 63.668 63.100 -0.360 0.000 0.813 312 P CB 0.117 31.316 31.700 -0.836 0.000 0.778 313 R N -0.226 120.011 120.500 -0.437 0.000 2.357 313 R HA -0.098 4.241 4.340 -0.001 0.000 0.202 313 R C 1.148 177.402 176.300 -0.077 0.000 1.047 313 R CA 0.980 56.837 56.100 -0.406 0.000 1.034 313 R CB -0.052 29.996 30.300 -0.420 0.000 0.875 313 R HN 0.327 nan 8.270 nan 0.000 0.473 314 E N -1.450 118.720 120.200 -0.050 0.000 2.391 314 E HA 0.105 4.455 4.350 -0.001 0.000 0.206 314 E C -0.207 176.403 176.600 0.016 0.000 0.851 314 E CA -0.140 56.258 56.400 -0.004 0.000 1.059 314 E CB 0.617 30.315 29.700 -0.003 0.000 1.065 314 E HN -0.021 nan 8.360 nan 0.000 0.512 315 S N 2.431 118.136 115.700 0.008 0.000 2.670 315 S HA -0.028 4.441 4.470 -0.001 0.000 0.308 315 S C -0.003 174.613 174.600 0.027 0.000 1.232 315 S CA 0.217 58.433 58.200 0.027 0.000 1.126 315 S CB 0.160 63.365 63.200 0.008 0.000 0.897 315 S HN 0.123 nan 8.310 nan 0.000 0.508 316 Q N 5.629 125.457 119.800 0.046 0.000 2.322 316 Q HA 0.273 4.613 4.340 -0.001 0.000 0.256 316 Q C -1.343 174.615 176.000 -0.070 0.000 0.960 316 Q CA -1.893 53.895 55.803 -0.024 0.000 0.934 316 Q CB 1.012 29.739 28.738 -0.019 0.000 1.200 316 Q HN 0.277 nan 8.270 nan 0.000 0.435 317 P HA -0.059 nan 4.420 nan 0.000 0.216 317 P C -0.650 176.441 177.300 -0.347 0.000 1.153 317 P CA 0.891 63.910 63.100 -0.135 0.000 0.844 317 P CB 0.248 31.875 31.700 -0.122 0.000 0.787 318 L N -4.971 115.929 121.223 -0.539 0.000 2.789 318 L HA 0.364 4.704 4.340 -0.001 0.000 0.254 318 L C -0.726 175.799 176.870 -0.576 0.000 0.952 318 L CA -1.141 53.227 54.840 -0.787 0.000 0.942 318 L CB 0.102 41.919 42.059 -0.403 0.000 1.502 318 L HN -0.297 nan 8.230 nan 0.000 0.425 319 L N 1.542 122.448 121.223 -0.528 0.000 2.483 319 L HA 0.682 5.021 4.340 -0.001 0.000 0.276 319 L C 0.976 177.638 176.870 -0.347 0.000 1.213 319 L CA 0.914 55.607 54.840 -0.245 0.000 0.843 319 L CB 0.134 42.213 42.059 0.033 0.000 1.107 319 L HN 1.035 nan 8.230 nan 0.000 0.487 320 G N 0.763 109.369 108.800 -0.324 0.000 2.749 320 G HA2 0.408 4.367 3.960 -0.001 0.000 0.300 320 G HA3 0.408 4.367 3.960 -0.001 0.000 0.300 320 G C -1.000 173.738 174.900 -0.271 0.000 1.352 320 G CA -0.574 44.216 45.100 -0.517 0.000 0.789 320 G HN 0.414 nan 8.290 nan 0.000 0.509 321 T N 0.332 114.785 114.554 -0.168 0.000 2.946 321 T HA 0.387 4.737 4.350 -0.001 0.000 0.312 321 T C 0.719 175.419 174.700 -0.001 0.000 1.066 321 T CA 0.729 62.893 62.100 0.106 0.000 1.138 321 T CB 0.709 69.636 68.868 0.098 0.000 1.014 321 T HN 1.372 nan 8.240 nan 0.000 0.544 322 V N 0.138 120.055 119.914 0.004 0.000 3.156 322 V HA 0.682 4.802 4.120 -0.001 0.000 0.311 322 V C -0.877 175.171 176.094 -0.076 0.000 1.208 322 V CA -1.344 60.920 62.300 -0.059 0.000 1.063 322 V CB 1.889 33.666 31.823 -0.078 0.000 1.098 322 V HN 0.608 nan 8.190 nan 0.000 0.452 323 I N 2.977 123.497 120.570 -0.084 0.000 2.306 323 I HA 0.423 4.592 4.170 -0.001 0.000 0.288 323 I C -0.203 175.864 176.117 -0.083 0.000 1.036 323 I CA 0.044 61.293 61.300 -0.084 0.000 1.221 323 I CB 0.561 38.514 38.000 -0.078 0.000 1.385 323 I HN 0.971 nan 8.210 nan 0.000 0.472 324 D N 3.510 123.858 120.400 -0.086 0.000 2.538 324 D HA 0.112 4.752 4.640 -0.001 0.000 0.231 324 D C 1.205 177.472 176.300 -0.056 0.000 1.229 324 D CA -0.289 53.661 54.000 -0.083 0.000 0.828 324 D CB 0.488 41.213 40.800 -0.124 0.000 1.035 324 D HN 0.703 nan 8.370 nan 0.000 0.495 325 G N 0.729 109.499 108.800 -0.051 0.000 2.337 325 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.290 325 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.290 325 G C 0.720 175.608 174.900 -0.021 0.000 1.003 325 G CA 1.351 46.430 45.100 -0.034 0.000 0.825 325 G HN 0.360 nan 8.290 nan 0.000 0.509 326 M N -2.019 117.567 119.600 -0.025 0.000 2.893 326 M HA 0.338 4.818 4.480 -0.001 0.000 0.201 326 M C 2.124 178.422 176.300 -0.004 0.000 1.926 326 M CA 0.423 55.722 55.300 -0.002 0.000 1.302 326 M CB -0.670 31.933 32.600 0.005 0.000 1.249 326 M HN 0.166 nan 8.290 nan 0.000 0.599 327 L N 0.534 121.743 121.223 -0.023 0.000 2.558 327 L HA 0.264 4.604 4.340 -0.001 0.000 0.225 327 L C -0.477 176.351 176.870 -0.071 0.000 1.128 327 L CA 0.474 55.296 54.840 -0.031 0.000 0.868 327 L CB 0.506 42.544 42.059 -0.035 0.000 1.006 327 L HN 0.160 nan 8.230 nan 0.000 0.454 328 L N -0.407 120.770 121.223 -0.077 0.000 2.753 328 L HA 0.108 4.448 4.340 -0.001 0.000 0.259 328 L C 0.262 177.081 176.870 -0.085 0.000 0.958 328 L CA -0.522 54.256 54.840 -0.104 0.000 0.955 328 L CB 1.803 43.788 42.059 -0.124 0.000 1.317 328 L HN -0.035 nan 8.230 nan 0.000 0.436 329 L N 2.271 123.444 121.223 -0.084 0.000 2.079 329 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 329 L C 1.185 178.015 176.870 -0.067 0.000 1.081 329 L CA 1.742 56.544 54.840 -0.064 0.000 0.752 329 L CB -0.753 41.271 42.059 -0.058 0.000 0.896 329 L HN 0.622 nan 8.230 nan 0.000 0.433 330 K N -2.261 118.089 120.400 -0.083 0.000 2.128 330 K HA 0.411 4.731 4.320 -0.001 0.000 0.254 330 K C -0.436 176.111 176.600 -0.088 0.000 0.872 330 K CA -0.378 55.863 56.287 -0.077 0.000 0.733 330 K CB 0.293 32.753 32.500 -0.066 0.000 1.521 330 K HN -0.135 nan 8.250 nan 0.000 0.406 331 T N -1.081 113.424 114.554 -0.081 0.000 2.900 331 T HA 0.136 4.486 4.350 -0.001 0.000 0.307 331 T C -1.966 172.677 174.700 -0.095 0.000 1.065 331 T CA -0.963 61.085 62.100 -0.087 0.000 1.105 331 T CB 0.625 69.446 68.868 -0.079 0.000 0.979 331 T HN 0.242 nan 8.240 nan 0.000 0.544 332 P HA -0.073 nan 4.420 nan 0.000 0.216 332 P C 1.240 178.491 177.300 -0.081 0.000 1.150 332 P CA 0.976 64.015 63.100 -0.102 0.000 0.837 332 P CB 0.119 31.757 31.700 -0.104 0.000 0.786 333 E N 0.002 120.159 120.200 -0.072 0.000 2.001 333 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 333 E C 1.958 178.528 176.600 -0.050 0.000 1.002 333 E CA 1.219 57.587 56.400 -0.054 0.000 0.819 333 E CB -1.107 28.561 29.700 -0.054 0.000 0.769 333 E HN 0.305 nan 8.360 nan 0.000 0.454 334 E N 0.413 120.580 120.200 -0.055 0.000 2.164 334 E HA -0.274 4.076 4.350 -0.001 0.000 0.206 334 E C 2.101 178.667 176.600 -0.056 0.000 1.032 334 E CA 1.181 57.551 56.400 -0.050 0.000 0.832 334 E CB -0.297 29.370 29.700 -0.053 0.000 0.742 334 E HN 0.179 nan 8.360 nan 0.000 0.460 335 L N 0.707 121.882 121.223 -0.080 0.000 1.976 335 L HA -0.253 4.087 4.340 -0.001 0.000 0.209 335 L C 2.772 179.591 176.870 -0.084 0.000 1.071 335 L CA 1.700 56.475 54.840 -0.109 0.000 0.746 335 L CB -0.567 41.393 42.059 -0.166 0.000 0.890 335 L HN 0.263 nan 8.230 nan 0.000 0.432 336 Q N -0.225 119.538 119.800 -0.060 0.000 2.508 336 Q HA -0.149 4.191 4.340 -0.001 0.000 0.214 336 Q C 1.920 177.922 176.000 0.003 0.000 0.979 336 Q CA 1.087 56.881 55.803 -0.015 0.000 0.911 336 Q CB -0.374 28.372 28.738 0.013 0.000 0.969 336 Q HN 0.486 nan 8.270 nan 0.000 0.504 337 A N 1.937 124.751 122.820 -0.010 0.000 1.930 337 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 337 A C 1.336 178.924 177.584 0.006 0.000 1.175 337 A CA 1.081 53.118 52.037 -0.000 0.000 0.627 337 A CB -0.215 18.780 19.000 -0.009 0.000 0.815 337 A HN 0.502 nan 8.150 nan 0.000 0.443 338 E N 0.001 120.203 120.200 0.003 0.000 2.313 338 E HA 0.323 4.672 4.350 -0.001 0.000 0.272 338 E C -0.704 175.918 176.600 0.038 0.000 1.038 338 E CA -0.504 55.907 56.400 0.017 0.000 0.863 338 E CB 0.798 30.508 29.700 0.016 0.000 1.060 338 E HN 0.206 nan 8.360 nan 0.000 0.402 339 R N 2.743 123.268 120.500 0.043 0.000 2.633 339 R HA 0.239 4.579 4.340 -0.001 0.000 0.348 339 R C -0.341 176.000 176.300 0.067 0.000 1.100 339 R CA -0.043 56.088 56.100 0.053 0.000 1.068 339 R CB -0.090 30.226 30.300 0.027 0.000 1.351 339 R HN 0.407 nan 8.270 nan 0.000 0.575 340 N N -0.256 118.499 118.700 0.092 0.000 2.320 340 N HA 0.119 4.858 4.740 -0.001 0.000 0.237 340 N C -1.023 174.576 175.510 0.148 0.000 1.129 340 N CA -0.036 53.065 53.050 0.085 0.000 0.854 340 N CB 0.252 38.776 38.487 0.062 0.000 1.083 340 N HN 0.076 nan 8.380 nan 0.000 0.504 341 F N -0.079 119.872 119.950 0.001 0.000 2.572 341 F HA 0.368 4.895 4.527 -0.001 0.000 0.342 341 F C 0.554 176.388 175.800 0.057 0.000 1.064 341 F CA -1.256 56.754 58.000 0.017 0.000 1.008 341 F CB 0.968 39.982 39.000 0.023 0.000 1.303 341 F HN 0.010 nan 8.300 nan 0.000 0.492 342 H N 0.743 119.423 119.070 -0.649 0.000 2.803 342 H HA 0.285 4.840 4.556 -0.001 0.000 0.330 342 H C -0.408 174.857 175.328 -0.106 0.000 1.057 342 H CA -0.095 55.707 56.048 -0.409 0.000 1.458 342 H CB 0.651 30.042 29.762 -0.617 0.000 1.470 342 H HN 0.645 nan 8.280 nan 0.000 0.560 343 T N 1.789 116.343 114.554 0.001 0.000 2.925 343 T HA 0.567 4.916 4.350 -0.001 0.000 0.285 343 T C -0.225 174.400 174.700 -0.126 0.000 1.021 343 T CA -0.680 61.410 62.100 -0.015 0.000 1.042 343 T CB 1.611 70.470 68.868 -0.014 0.000 1.037 343 T HN 0.431 nan 8.240 nan 0.000 0.481 344 V N -2.128 117.796 119.914 0.017 0.000 3.120 344 V HA 0.674 4.794 4.120 -0.001 0.000 0.303 344 V C -3.352 172.858 176.094 0.194 0.000 1.238 344 V CA -2.981 59.311 62.300 -0.014 0.000 1.008 344 V CB 1.380 33.116 31.823 -0.145 0.000 1.064 344 V HN 0.690 nan 8.190 nan 0.000 0.434 345 P HA 0.146 nan 4.420 nan 0.000 0.262 345 P C -1.392 176.241 177.300 0.556 0.000 1.199 345 P CA 0.721 63.991 63.100 0.283 0.000 0.763 345 P CB -0.214 31.412 31.700 -0.125 0.000 0.790 346 Y N 4.157 124.681 120.300 0.373 0.000 2.345 346 Y HA 0.430 4.979 4.550 -0.001 0.000 0.331 346 Y C -0.129 175.757 175.900 -0.025 0.000 0.959 346 Y CA -1.403 56.723 58.100 0.044 0.000 1.204 346 Y CB 1.027 39.060 38.460 -0.711 0.000 1.135 346 Y HN 0.224 nan 8.280 nan 0.000 0.477 347 M N 7.727 127.194 119.600 -0.222 0.000 2.084 347 M HA 0.456 4.936 4.480 -0.001 0.000 0.351 347 M C -1.930 174.027 176.300 -0.571 0.000 1.240 347 M CA -0.477 54.462 55.300 -0.602 0.000 1.083 347 M CB 0.305 32.182 32.600 -1.205 0.000 1.593 347 M HN 0.389 nan 8.290 nan 0.000 0.463 348 V N 4.767 124.355 119.914 -0.543 0.000 2.487 348 V HA 0.893 5.012 4.120 -0.001 0.000 0.298 348 V C 0.276 176.059 176.094 -0.518 0.000 1.028 348 V CA -0.632 61.331 62.300 -0.562 0.000 0.860 348 V CB 1.411 32.856 31.823 -0.631 0.000 0.991 348 V HN 0.988 nan 8.190 nan 0.000 0.427 349 G N 4.033 112.424 108.800 -0.681 0.000 2.672 349 G HA2 0.876 4.836 3.960 -0.001 0.000 0.292 349 G HA3 0.876 4.836 3.960 -0.001 0.000 0.292 349 G C -1.296 173.217 174.900 -0.645 0.000 1.375 349 G CA -0.694 43.672 45.100 -1.224 0.000 0.890 349 G HN 0.893 nan 8.290 nan 0.000 0.476 350 I N -2.042 118.302 120.570 -0.376 0.000 2.969 350 I HA 0.544 4.714 4.170 -0.001 0.000 0.307 350 I C -0.651 175.545 176.117 0.131 0.000 1.149 350 I CA -1.304 59.959 61.300 -0.062 0.000 1.008 350 I CB 2.364 40.342 38.000 -0.037 0.000 1.232 350 I HN 0.428 nan 8.210 nan 0.000 0.435 351 N N 1.827 120.608 118.700 0.135 0.000 2.447 351 N HA 0.224 4.964 4.740 -0.001 0.000 0.271 351 N C 0.280 175.893 175.510 0.171 0.000 1.226 351 N CA -0.800 52.395 53.050 0.242 0.000 0.980 351 N CB 1.301 39.906 38.487 0.196 0.000 1.206 351 N HN 0.534 nan 8.380 nan 0.000 0.558 352 K N 0.617 121.132 120.400 0.191 0.000 1.984 352 K HA -0.096 4.224 4.320 -0.001 0.000 0.209 352 K C 0.078 176.749 176.600 0.118 0.000 1.046 352 K CA 1.727 58.097 56.287 0.138 0.000 0.934 352 K CB 0.145 32.717 32.500 0.120 0.000 0.717 352 K HN 0.480 nan 8.250 nan 0.000 0.438 353 Q N 0.692 120.566 119.800 0.122 0.000 2.721 353 Q HA 0.133 4.473 4.340 -0.001 0.000 0.257 353 Q C -0.050 176.015 176.000 0.110 0.000 1.070 353 Q CA -0.374 55.500 55.803 0.119 0.000 0.910 353 Q CB 1.517 30.327 28.738 0.121 0.000 1.163 353 Q HN 0.168 nan 8.270 nan 0.000 0.501 354 E N 0.629 120.868 120.200 0.066 0.000 2.033 354 E HA -0.203 4.146 4.350 -0.001 0.000 0.199 354 E C 0.468 177.108 176.600 0.067 0.000 1.011 354 E CA 1.347 57.740 56.400 -0.013 0.000 0.815 354 E CB 0.044 29.571 29.700 -0.289 0.000 0.755 354 E HN 0.462 nan 8.360 nan 0.000 0.451 355 F N 1.054 120.975 119.950 -0.049 0.000 2.949 355 F HA 0.243 4.769 4.527 -0.001 0.000 0.291 355 F C 1.495 177.280 175.800 -0.025 0.000 1.214 355 F CA -0.186 57.771 58.000 -0.071 0.000 1.381 355 F CB 0.149 39.083 39.000 -0.109 0.000 1.066 355 F HN -0.076 nan 8.300 nan 0.000 0.520 356 G N -0.112 108.724 108.800 0.060 0.000 2.411 356 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.213 356 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.213 356 G C 0.971 175.937 174.900 0.110 0.000 1.166 356 G CA 0.922 46.084 45.100 0.105 0.000 0.802 356 G HN 0.630 nan 8.290 nan 0.000 0.533 357 W N -1.078 120.135 121.300 -0.144 0.000 5.441 357 W HA 0.316 4.975 4.660 -0.000 0.000 0.169 357 W C 1.733 178.155 176.519 -0.162 0.000 1.574 357 W CA 0.214 57.477 57.345 -0.136 0.000 2.017 357 W CB -0.605 28.830 29.460 -0.041 0.000 0.678 357 W HN 0.040 nan 8.180 nan 0.000 1.088 358 L N 2.165 123.202 121.223 -0.310 0.000 1.978 358 L HA -0.299 4.041 4.340 -0.001 0.000 0.235 358 L C 2.290 178.817 176.870 -0.573 0.000 1.094 358 L CA 3.505 58.021 54.840 -0.540 0.000 0.814 358 L CB -1.314 40.751 42.059 0.011 0.000 0.911 358 L HN 0.244 nan 8.230 nan 0.000 0.442 359 I N -0.713 119.595 120.570 -0.436 0.000 2.091 359 I HA -0.326 3.843 4.170 -0.001 0.000 0.240 359 I C -0.277 175.498 176.117 -0.571 0.000 1.046 359 I CA 2.044 63.074 61.300 -0.451 0.000 1.306 359 I CB -1.968 35.779 38.000 -0.422 0.000 1.018 359 I HN 0.346 nan 8.210 nan 0.000 0.404 360 P HA -0.208 nan 4.420 nan 0.000 0.214 360 P C 1.185 178.265 177.300 -0.368 0.000 1.169 360 P CA 1.329 63.958 63.100 -0.785 0.000 0.908 360 P CB -0.121 31.057 31.700 -0.870 0.000 0.791 364 M N -0.324 119.233 119.600 -0.072 0.000 2.346 364 M HA 0.215 4.695 4.480 -0.001 0.000 0.280 364 M C 0.598 176.950 176.300 0.087 0.000 1.075 364 M CA 0.125 55.450 55.300 0.041 0.000 0.989 364 M CB 0.896 33.571 32.600 0.125 0.000 1.447 364 M HN 0.167 nan 8.290 nan 0.000 0.511 365 S N 0.066 115.793 115.700 0.045 0.000 3.641 365 S HA -0.205 4.264 4.470 -0.001 0.000 0.346 365 S C -0.116 174.558 174.600 0.124 0.000 1.074 365 S CA 0.388 58.626 58.200 0.063 0.000 1.026 365 S CB -2.349 60.877 63.200 0.043 0.000 0.908 365 S HN 0.563 nan 8.310 nan 0.000 0.479 366 Y N 1.672 121.980 120.300 0.014 0.000 2.903 366 Y HA 0.073 4.622 4.550 -0.001 0.000 0.338 366 Y C -0.584 175.367 175.900 0.085 0.000 1.265 366 Y CA -0.484 57.663 58.100 0.077 0.000 1.532 366 Y CB 0.163 38.688 38.460 0.109 0.000 1.293 366 Y HN 0.055 nan 8.280 nan 0.000 0.609 367 P HA -0.219 nan 4.420 nan 0.000 0.217 367 P C -0.203 177.147 177.300 0.084 0.000 1.151 367 P CA 1.307 64.388 63.100 -0.031 0.000 0.849 367 P CB 0.032 31.650 31.700 -0.137 0.000 0.787 368 L N 0.061 121.408 121.223 0.206 0.000 2.660 368 L HA -0.043 4.297 4.340 -0.001 0.000 0.272 368 L C 0.942 177.911 176.870 0.165 0.000 1.194 368 L CA 0.930 55.899 54.840 0.215 0.000 0.945 368 L CB -0.271 41.987 42.059 0.332 0.000 1.212 368 L HN 0.155 nan 8.230 nan 0.000 0.490 369 S N -0.479 115.291 115.700 0.117 0.000 2.551 369 S HA 0.027 4.497 4.470 -0.001 0.000 0.236 369 S C 0.597 175.243 174.600 0.075 0.000 0.915 369 S CA -0.647 57.612 58.200 0.098 0.000 1.525 369 S CB 0.011 63.262 63.200 0.085 0.000 1.256 369 S HN 0.650 nan 8.310 nan 0.000 0.641 370 E N 1.724 121.964 120.200 0.068 0.000 2.403 370 E HA 0.341 4.690 4.350 -0.001 0.000 0.187 370 E C 1.452 178.084 176.600 0.054 0.000 1.073 370 E CA 0.274 56.705 56.400 0.052 0.000 0.888 370 E CB 0.004 29.729 29.700 0.040 0.000 1.035 370 E HN 0.743 nan 8.360 nan 0.000 0.471 371 G N 1.899 110.739 108.800 0.067 0.000 2.396 371 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.242 371 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.242 371 G C 0.397 175.340 174.900 0.072 0.000 1.069 371 G CA 0.956 46.095 45.100 0.065 0.000 0.633 371 G HN 0.456 nan 8.290 nan 0.000 0.517 372 Q N -1.824 118.016 119.800 0.067 0.000 2.832 372 Q HA 0.832 5.172 4.340 -0.001 0.000 0.329 372 Q C -1.634 174.398 176.000 0.052 0.000 0.816 372 Q CA -1.102 54.742 55.803 0.068 0.000 0.804 372 Q CB 1.478 30.249 28.738 0.056 0.000 1.376 372 Q HN 0.932 nan 8.270 nan 0.000 0.503 373 L N 1.050 122.296 121.223 0.038 0.000 2.409 373 L HA 0.543 4.883 4.340 -0.001 0.000 0.255 373 L C -1.790 175.074 176.870 -0.009 0.000 1.027 373 L CA -0.247 54.591 54.840 -0.004 0.000 0.834 373 L CB 2.224 44.249 42.059 -0.057 0.000 1.426 373 L HN 0.902 nan 8.230 nan 0.000 0.411 374 D N 0.859 121.242 120.400 -0.028 0.000 2.487 374 D HA 0.171 4.811 4.640 -0.001 0.000 0.262 374 D C -0.053 176.231 176.300 -0.026 0.000 1.130 374 D CA -0.409 53.583 54.000 -0.014 0.000 1.038 374 D CB 0.999 41.794 40.800 -0.008 0.000 1.142 374 D HN 0.499 nan 8.370 nan 0.000 0.575 375 Q N -0.666 119.133 119.800 -0.003 0.000 2.230 375 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 375 Q C 1.544 177.545 176.000 0.001 0.000 0.963 375 Q CA 0.918 56.726 55.803 0.008 0.000 0.866 375 Q CB 0.203 28.956 28.738 0.024 0.000 0.931 375 Q HN 0.387 nan 8.270 nan 0.000 0.452 376 K N -0.531 119.866 120.400 -0.006 0.000 2.044 376 K HA 0.012 4.332 4.320 -0.001 0.000 0.204 376 K C 2.048 178.639 176.600 -0.015 0.000 1.045 376 K CA 1.225 57.509 56.287 -0.004 0.000 0.951 376 K CB -0.380 32.119 32.500 -0.002 0.000 0.738 376 K HN 0.109 nan 8.250 nan 0.000 0.443 377 T N 1.826 116.361 114.554 -0.031 0.000 2.881 377 T HA -0.090 4.260 4.350 -0.001 0.000 0.270 377 T C 1.901 176.548 174.700 -0.089 0.000 1.068 377 T CA 1.135 63.210 62.100 -0.042 0.000 1.131 377 T CB -0.151 68.691 68.868 -0.042 0.000 0.871 377 T HN 0.280 nan 8.240 nan 0.000 0.479 378 A N 2.143 124.869 122.820 -0.156 0.000 1.940 378 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 378 A C 2.338 179.860 177.584 -0.104 0.000 1.176 378 A CA 1.307 53.136 52.037 -0.346 0.000 0.631 378 A CB -0.593 18.192 19.000 -0.359 0.000 0.814 378 A HN 0.345 nan 8.150 nan 0.000 0.446 379 M N -0.334 119.277 119.600 0.018 0.000 2.082 379 M HA -0.172 4.308 4.480 -0.001 0.000 0.258 379 M C 2.549 178.954 176.300 0.175 0.000 1.069 379 M CA 2.049 57.418 55.300 0.114 0.000 1.102 379 M CB -1.400 31.242 32.600 0.070 0.000 1.336 379 M HN 0.601 nan 8.290 nan 0.000 0.404 380 S N 0.763 116.536 115.700 0.121 0.000 2.354 380 S HA -0.143 4.326 4.470 -0.001 0.000 0.219 380 S C 2.022 176.768 174.600 0.243 0.000 1.035 380 S CA 1.276 59.587 58.200 0.185 0.000 1.037 380 S CB -0.398 62.863 63.200 0.102 0.000 0.956 380 S HN 0.418 nan 8.310 nan 0.000 0.428 381 L N 0.638 121.938 121.223 0.129 0.000 1.990 381 L HA -0.150 4.189 4.340 -0.001 0.000 0.213 381 L C 2.635 179.694 176.870 0.316 0.000 1.072 381 L CA 1.742 56.669 54.840 0.145 0.000 0.755 381 L CB -0.571 41.527 42.059 0.065 0.000 0.889 381 L HN 0.418 nan 8.230 nan 0.000 0.432 382 L N -0.421 121.094 121.223 0.487 0.000 2.129 382 L HA -0.300 4.039 4.340 -0.001 0.000 0.212 382 L C 2.149 179.236 176.870 0.362 0.000 1.087 382 L CA 1.884 57.042 54.840 0.531 0.000 0.757 382 L CB -0.725 41.677 42.059 0.572 0.000 0.896 382 L HN 0.453 nan 8.230 nan 0.000 0.434 383 W N 0.726 122.138 121.300 0.186 0.000 2.379 383 W HA -0.201 4.458 4.660 -0.001 0.000 0.307 383 W C 1.756 178.362 176.519 0.144 0.000 1.200 383 W CA 1.285 58.720 57.345 0.150 0.000 1.297 383 W CB -0.125 29.392 29.460 0.095 0.000 1.140 383 W HN 0.105 nan 8.180 nan 0.000 0.507 384 K N 0.814 121.117 120.400 -0.162 0.000 2.555 384 K HA -0.014 4.305 4.320 -0.001 0.000 0.193 384 K C 1.391 177.901 176.600 -0.150 0.000 1.032 384 K CA 0.677 56.789 56.287 -0.290 0.000 1.004 384 K CB 0.017 32.461 32.500 -0.093 0.000 0.804 384 K HN -0.068 nan 8.250 nan 0.000 0.496 385 S N 0.029 115.700 115.700 -0.049 0.000 2.572 385 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 385 S C 0.912 175.482 174.600 -0.050 0.000 0.963 385 S CA -0.473 57.732 58.200 0.008 0.000 0.939 385 S CB -0.133 63.120 63.200 0.088 0.000 0.804 385 S HN 0.356 nan 8.310 nan 0.000 0.480 386 Y N 4.103 124.254 120.300 -0.248 0.000 2.151 386 Y HA -0.105 4.445 4.550 -0.001 0.000 0.284 386 Y C -1.086 174.704 175.900 -0.183 0.000 1.166 386 Y CA 1.565 59.517 58.100 -0.246 0.000 1.163 386 Y CB -0.903 37.294 38.460 -0.439 0.000 0.974 386 Y HN 0.221 nan 8.280 nan 0.000 0.511 387 P HA -0.070 nan 4.420 nan 0.000 0.251 387 P C 0.345 177.542 177.300 -0.172 0.000 1.251 387 P CA 1.346 64.382 63.100 -0.108 0.000 0.763 387 P CB -0.159 31.522 31.700 -0.032 0.000 1.067 388 L N -1.630 119.465 121.223 -0.213 0.000 2.815 388 L HA 0.085 4.424 4.340 -0.001 0.000 0.241 388 L C 2.093 178.789 176.870 -0.289 0.000 1.047 388 L CA 0.229 54.937 54.840 -0.220 0.000 0.939 388 L CB 0.114 42.079 42.059 -0.157 0.000 1.490 388 L HN -0.214 nan 8.230 nan 0.000 0.510 389 V N -5.519 114.219 119.914 -0.293 0.000 3.455 389 V HA 0.205 4.325 4.120 -0.001 0.000 0.250 389 V C 0.941 176.906 176.094 -0.215 0.000 1.230 389 V CA -0.395 61.743 62.300 -0.269 0.000 1.105 389 V CB 0.311 31.973 31.823 -0.268 0.000 0.850 389 V HN 0.404 nan 8.190 nan 0.000 0.461 390 C N 1.621 120.646 119.300 -0.458 0.000 4.058 390 C HA -0.128 4.331 4.460 -0.001 0.000 0.307 390 C C 0.214 175.139 174.990 -0.108 0.000 1.247 390 C CA -0.026 58.532 59.018 -0.768 0.000 2.165 390 C CB -2.827 24.522 27.740 -0.652 0.000 1.350 390 C HN 0.646 nan 8.230 nan 0.000 0.648 391 I N 1.350 122.031 120.570 0.185 0.000 2.404 391 I HA 0.566 4.736 4.170 -0.001 0.000 0.293 391 I C 0.873 177.300 176.117 0.516 0.000 0.992 391 I CA -0.219 61.343 61.300 0.437 0.000 1.149 391 I CB 1.557 39.793 38.000 0.393 0.000 1.315 391 I HN 0.564 nan 8.210 nan 0.000 0.446 392 A N 5.569 128.648 122.820 0.432 0.000 2.483 392 A HA 0.050 4.370 4.320 -0.001 0.000 0.238 392 A C 1.333 179.138 177.584 0.369 0.000 1.070 392 A CA -0.007 52.254 52.037 0.374 0.000 0.770 392 A CB 0.210 19.354 19.000 0.240 0.000 1.008 392 A HN 0.931 nan 8.150 nan 0.000 0.497 393 K N 0.692 121.289 120.400 0.330 0.000 2.280 393 K HA -0.147 4.173 4.320 -0.001 0.000 0.202 393 K C 1.392 178.016 176.600 0.040 0.000 1.047 393 K CA 1.735 58.083 56.287 0.102 0.000 0.942 393 K CB 0.018 32.258 32.500 -0.432 0.000 0.739 393 K HN 0.893 nan 8.250 nan 0.000 0.457 394 E N 0.213 120.454 120.200 0.067 0.000 2.489 394 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 394 E C 1.291 177.941 176.600 0.084 0.000 1.057 394 E CA 0.270 56.699 56.400 0.048 0.000 0.866 394 E CB 0.163 29.885 29.700 0.037 0.000 0.916 394 E HN 0.358 nan 8.360 nan 0.000 0.500 395 L N 0.068 121.373 121.223 0.137 0.000 2.642 395 L HA 0.124 4.464 4.340 -0.001 0.000 0.233 395 L C 2.195 179.166 176.870 0.169 0.000 1.077 395 L CA -0.284 54.644 54.840 0.146 0.000 0.879 395 L CB -0.075 42.096 42.059 0.187 0.000 1.151 395 L HN 0.032 nan 8.230 nan 0.000 0.495 396 I N 1.315 122.009 120.570 0.206 0.000 2.113 396 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 396 I C -0.037 176.190 176.117 0.183 0.000 1.057 396 I CA 2.304 63.742 61.300 0.231 0.000 1.314 396 I CB -2.231 35.914 38.000 0.242 0.000 1.022 396 I HN 0.164 nan 8.210 nan 0.000 0.408 397 P HA -0.191 nan 4.420 nan 0.000 0.213 397 P C 1.694 179.063 177.300 0.115 0.000 1.170 397 P CA 1.467 64.629 63.100 0.104 0.000 0.902 397 P CB -0.130 31.610 31.700 0.066 0.000 0.789 398 E N -0.837 119.431 120.200 0.112 0.000 2.265 398 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 398 E C 1.731 178.448 176.600 0.194 0.000 0.996 398 E CA 0.840 57.315 56.400 0.126 0.000 0.832 398 E CB -0.263 29.506 29.700 0.115 0.000 0.756 398 E HN 0.080 nan 8.360 nan 0.000 0.491 399 A N 0.535 123.474 122.820 0.199 0.000 1.826 399 A HA -0.135 4.184 4.320 -0.001 0.000 0.214 399 A C 2.330 180.085 177.584 0.286 0.000 1.212 399 A CA 1.940 54.128 52.037 0.251 0.000 0.605 399 A CB -1.065 18.090 19.000 0.257 0.000 0.861 399 A HN 0.371 nan 8.150 nan 0.000 0.447 400 T N -0.996 113.715 114.554 0.262 0.000 3.052 400 T HA -0.089 4.260 4.350 -0.001 0.000 0.270 400 T C 1.424 176.246 174.700 0.204 0.000 1.147 400 T CA 1.569 63.831 62.100 0.270 0.000 1.089 400 T CB -0.105 68.904 68.868 0.236 0.000 0.875 400 T HN 0.538 nan 8.240 nan 0.000 0.541 401 E N 1.953 122.243 120.200 0.149 0.000 2.042 401 E HA 0.037 4.387 4.350 -0.001 0.000 0.189 401 E C 2.095 178.703 176.600 0.013 0.000 0.974 401 E CA 0.937 57.381 56.400 0.074 0.000 0.806 401 E CB -0.313 29.416 29.700 0.048 0.000 0.769 401 E HN 0.323 nan 8.360 nan 0.000 0.451 402 K N -1.094 119.271 120.400 -0.059 0.000 2.211 402 K HA -0.136 4.183 4.320 -0.001 0.000 0.204 402 K C 1.469 177.917 176.600 -0.254 0.000 1.047 402 K CA 1.388 57.485 56.287 -0.316 0.000 0.935 402 K CB -0.299 31.662 32.500 -0.899 0.000 0.728 402 K HN 0.226 nan 8.250 nan 0.000 0.452 403 Y N -0.678 119.579 120.300 -0.071 0.000 2.284 403 Y HA 0.164 4.713 4.550 -0.001 0.000 0.293 403 Y C 1.585 177.518 175.900 0.054 0.000 1.140 403 Y CA 0.840 58.954 58.100 0.023 0.000 1.153 403 Y CB 0.182 38.719 38.460 0.128 0.000 1.114 403 Y HN -0.131 nan 8.280 nan 0.000 0.521 404 L N -1.490 119.883 121.223 0.251 0.000 2.529 404 L HA 0.268 4.607 4.340 -0.001 0.000 0.223 404 L C 1.964 178.889 176.870 0.092 0.000 1.113 404 L CA 0.639 55.582 54.840 0.171 0.000 0.861 404 L CB -0.635 41.535 42.059 0.185 0.000 1.012 404 L HN 0.195 nan 8.230 nan 0.000 0.461 405 G N 0.347 109.186 108.800 0.064 0.000 3.094 405 G HA2 0.105 4.064 3.960 -0.001 0.000 0.208 405 G HA3 0.105 4.064 3.960 -0.001 0.000 0.208 405 G C 1.229 176.132 174.900 0.005 0.000 1.189 405 G CA 0.535 45.651 45.100 0.027 0.000 0.856 405 G HN 0.438 nan 8.290 nan 0.000 0.510 406 G N -0.004 108.802 108.800 0.010 0.000 2.447 406 G HA2 0.244 4.204 3.960 -0.001 0.000 0.211 406 G HA3 0.244 4.204 3.960 -0.001 0.000 0.211 406 G C 0.839 175.744 174.900 0.008 0.000 1.184 406 G CA 1.057 46.155 45.100 -0.003 0.000 0.813 406 G HN 0.615 nan 8.290 nan 0.000 0.540 407 T N -1.701 112.866 114.554 0.022 0.000 2.863 407 T HA 0.425 4.774 4.350 -0.001 0.000 0.285 407 T C -0.304 174.412 174.700 0.027 0.000 1.009 407 T CA -0.656 61.457 62.100 0.022 0.000 0.989 407 T CB 2.319 71.202 68.868 0.025 0.000 1.004 407 T HN -0.014 nan 8.240 nan 0.000 0.455 408 D N 1.251 121.663 120.400 0.021 0.000 2.358 408 D HA -0.016 4.623 4.640 -0.001 0.000 0.241 408 D C 0.582 176.896 176.300 0.023 0.000 1.094 408 D CA 0.248 54.260 54.000 0.020 0.000 0.907 408 D CB 0.188 40.997 40.800 0.015 0.000 0.893 408 D HN 0.594 nan 8.370 nan 0.000 0.528 409 D N 0.274 120.691 120.400 0.028 0.000 2.273 409 D HA 0.014 4.654 4.640 -0.001 0.000 0.247 409 D C 1.106 177.427 176.300 0.034 0.000 1.313 409 D CA 0.632 54.651 54.000 0.030 0.000 0.974 409 D CB 1.200 42.022 40.800 0.036 0.000 1.157 409 D HN -0.026 nan 8.370 nan 0.000 0.533 410 T N -1.115 113.461 114.554 0.036 0.000 3.177 410 T HA 0.040 4.390 4.350 -0.001 0.000 0.262 410 T C 1.664 176.393 174.700 0.048 0.000 0.959 410 T CA 0.195 62.317 62.100 0.037 0.000 0.996 410 T CB 0.023 68.909 68.868 0.029 0.000 1.185 410 T HN 0.293 nan 8.240 nan 0.000 0.486 411 V N 1.046 120.990 119.914 0.050 0.000 3.217 411 V HA 0.204 4.323 4.120 -0.001 0.000 0.264 411 V C 1.877 178.016 176.094 0.076 0.000 1.135 411 V CA 0.963 63.300 62.300 0.060 0.000 1.142 411 V CB -0.771 31.082 31.823 0.050 0.000 0.754 411 V HN 0.323 nan 8.190 nan 0.000 0.484 412 K N 0.271 120.716 120.400 0.075 0.000 2.334 412 K HA 0.171 4.491 4.320 -0.001 0.000 0.195 412 K C 1.924 178.593 176.600 0.116 0.000 1.045 412 K CA 0.095 56.436 56.287 0.090 0.000 1.004 412 K CB 0.066 32.609 32.500 0.072 0.000 0.837 412 K HN 0.344 nan 8.250 nan 0.000 0.510 413 K N 1.055 121.517 120.400 0.103 0.000 2.439 413 K HA -0.078 4.242 4.320 -0.001 0.000 0.197 413 K C 1.899 178.589 176.600 0.150 0.000 1.041 413 K CA 0.701 57.059 56.287 0.118 0.000 0.970 413 K CB 0.241 32.785 32.500 0.073 0.000 0.773 413 K HN 0.035 nan 8.250 nan 0.000 0.479 414 K N 1.261 121.751 120.400 0.150 0.000 2.102 414 K HA -0.090 4.230 4.320 -0.001 0.000 0.206 414 K C 1.085 177.849 176.600 0.275 0.000 1.031 414 K CA 1.119 57.523 56.287 0.195 0.000 0.962 414 K CB 0.077 32.667 32.500 0.150 0.000 0.811 414 K HN -0.095 nan 8.250 nan 0.000 0.453 415 D N 1.680 122.205 120.400 0.209 0.000 2.158 415 D HA -0.178 4.462 4.640 -0.001 0.000 0.197 415 D C 2.043 178.481 176.300 0.230 0.000 0.995 415 D CA 0.944 55.066 54.000 0.203 0.000 0.846 415 D CB -0.137 40.753 40.800 0.149 0.000 0.941 415 D HN 0.240 nan 8.370 nan 0.000 0.456 416 L N -0.264 121.103 121.223 0.239 0.000 2.362 416 L HA -0.127 4.212 4.340 -0.001 0.000 0.219 416 L C 2.129 179.198 176.870 0.332 0.000 1.134 416 L CA 0.246 55.253 54.840 0.279 0.000 0.807 416 L CB -0.147 42.069 42.059 0.262 0.000 0.927 416 L HN -0.048 nan 8.230 nan 0.000 0.447 417 F N 0.229 120.271 119.950 0.154 0.000 2.234 417 F HA -0.124 4.403 4.527 -0.001 0.000 0.296 417 F C 2.024 177.870 175.800 0.077 0.000 1.089 417 F CA 1.258 59.325 58.000 0.112 0.000 1.343 417 F CB -0.048 39.035 39.000 0.139 0.000 1.040 417 F HN -0.108 nan 8.300 nan 0.000 0.498 418 L N -0.452 120.873 121.223 0.170 0.000 2.141 418 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 418 L C 2.004 178.906 176.870 0.053 0.000 1.094 418 L CA 1.145 56.070 54.840 0.142 0.000 0.763 418 L CB -0.792 41.434 42.059 0.279 0.000 0.908 418 L HN 0.036 nan 8.230 nan 0.000 0.437 419 D N 0.216 120.677 120.400 0.102 0.000 2.149 419 D HA -0.144 4.495 4.640 -0.001 0.000 0.201 419 D C 2.217 178.527 176.300 0.016 0.000 0.972 419 D CA 0.769 54.847 54.000 0.130 0.000 0.835 419 D CB -0.027 40.916 40.800 0.238 0.000 0.966 419 D HN 0.147 nan 8.370 nan 0.000 0.476 420 L N 1.268 122.382 121.223 -0.183 0.000 2.042 420 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 420 L C 2.075 178.593 176.870 -0.588 0.000 1.076 420 L CA 1.415 55.799 54.840 -0.760 0.000 0.749 420 L CB -0.711 40.910 42.059 -0.731 0.000 0.893 420 L HN -0.001 nan 8.230 nan 0.000 0.432 421 I N 0.372 120.593 120.570 -0.581 0.000 2.163 421 I HA -0.236 3.934 4.170 -0.001 0.000 0.240 421 I C 2.870 178.735 176.117 -0.420 0.000 1.081 421 I CA 1.118 62.023 61.300 -0.658 0.000 1.353 421 I CB -0.638 36.740 38.000 -1.036 0.000 1.054 421 I HN 0.287 nan 8.210 nan 0.000 0.407 422 A N 0.603 123.308 122.820 -0.192 0.000 1.958 422 A HA -0.296 4.024 4.320 -0.001 0.000 0.221 422 A C 1.928 179.524 177.584 0.020 0.000 1.178 422 A CA 2.335 54.404 52.037 0.053 0.000 0.642 422 A CB -0.701 18.365 19.000 0.110 0.000 0.816 422 A HN 0.424 nan 8.150 nan 0.000 0.453 423 D N -0.650 119.689 120.400 -0.101 0.000 2.144 423 D HA -0.062 4.578 4.640 -0.001 0.000 0.200 423 D C 1.983 178.053 176.300 -0.384 0.000 0.978 423 D CA 1.437 55.358 54.000 -0.132 0.000 0.833 423 D CB -0.148 40.668 40.800 0.027 0.000 0.961 423 D HN 0.292 nan 8.370 nan 0.000 0.470 424 V N 0.628 120.167 119.914 -0.625 0.000 2.788 424 V HA -0.057 4.063 4.120 -0.001 0.000 0.251 424 V C 2.325 178.140 176.094 -0.465 0.000 1.068 424 V CA 0.847 62.695 62.300 -0.753 0.000 1.090 424 V CB -0.099 31.143 31.823 -0.968 0.000 0.710 424 V HN 0.165 nan 8.190 nan 0.000 0.467 425 M N -1.880 117.480 119.600 -0.400 0.000 2.435 425 M HA 0.129 4.609 4.480 -0.001 0.000 0.265 425 M C 1.457 177.318 176.300 -0.732 0.000 1.104 425 M CA 1.771 56.736 55.300 -0.558 0.000 1.140 425 M CB 0.251 32.513 32.600 -0.563 0.000 1.372 425 M HN 0.401 nan 8.290 nan 0.000 0.456 426 F N -2.438 117.429 119.950 -0.139 0.000 2.411 426 F HA 0.315 4.842 4.527 -0.000 0.000 0.286 426 F C 2.110 177.849 175.800 -0.100 0.000 0.858 426 F CA 0.156 58.105 58.000 -0.085 0.000 1.080 426 F CB -1.171 37.821 39.000 -0.014 0.000 0.961 426 F HN 0.012 nan 8.300 nan 0.000 0.742 427 G N 1.590 110.460 108.800 0.117 0.000 2.838 427 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.215 427 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.215 427 G C 1.662 176.547 174.900 -0.024 0.000 1.327 427 G CA 2.383 47.500 45.100 0.028 0.000 0.802 427 G HN 0.133 nan 8.290 nan 0.000 0.658 428 V N 2.548 122.428 119.914 -0.055 0.000 2.231 428 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 428 V C 0.525 176.590 176.094 -0.049 0.000 1.054 428 V CA 2.613 64.889 62.300 -0.039 0.000 1.015 428 V CB -1.772 30.004 31.823 -0.079 0.000 0.638 428 V HN 0.340 nan 8.190 nan 0.000 0.444 429 P HA -0.172 nan 4.420 nan 0.000 0.217 429 P C 2.064 179.322 177.300 -0.071 0.000 1.162 429 P CA 2.323 65.374 63.100 -0.080 0.000 0.901 429 P CB -0.193 31.429 31.700 -0.131 0.000 0.793 430 S N -0.875 114.780 115.700 -0.075 0.000 2.370 430 S HA -0.127 4.343 4.470 -0.001 0.000 0.226 430 S C 2.004 176.511 174.600 -0.155 0.000 1.033 430 S CA 1.454 59.586 58.200 -0.113 0.000 1.011 430 S CB -1.302 61.835 63.200 -0.105 0.000 0.852 430 S HN -0.050 nan 8.310 nan 0.000 0.457 431 V N 2.170 122.010 119.914 -0.123 0.000 2.295 431 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 431 V C 2.096 178.151 176.094 -0.063 0.000 1.049 431 V CA 1.596 63.822 62.300 -0.123 0.000 1.024 431 V CB -0.718 31.079 31.823 -0.042 0.000 0.648 431 V HN 0.446 nan 8.190 nan 0.000 0.447 432 I N -0.094 120.466 120.570 -0.016 0.000 2.163 432 I HA -0.228 3.942 4.170 -0.001 0.000 0.243 432 I C 2.374 178.503 176.117 0.020 0.000 1.085 432 I CA 1.397 62.710 61.300 0.022 0.000 1.347 432 I CB -0.453 37.561 38.000 0.024 0.000 1.044 432 I HN 0.160 nan 8.210 nan 0.000 0.408 433 V N 0.991 120.899 119.914 -0.010 0.000 2.490 433 V HA -0.265 3.854 4.120 -0.001 0.000 0.250 433 V C 2.675 178.789 176.094 0.033 0.000 1.061 433 V CA 1.815 64.131 62.300 0.026 0.000 1.064 433 V CB -0.985 30.843 31.823 0.007 0.000 0.670 433 V HN 0.488 nan 8.190 nan 0.000 0.461 434 A N 0.204 122.966 122.820 -0.096 0.000 1.877 434 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 434 A C 2.390 179.983 177.584 0.016 0.000 1.186 434 A CA 1.808 53.727 52.037 -0.197 0.000 0.620 434 A CB -0.454 18.204 19.000 -0.569 0.000 0.822 434 A HN 0.496 nan 8.150 nan 0.000 0.443 435 R N -0.214 120.347 120.500 0.101 0.000 2.070 435 R HA -0.141 4.199 4.340 -0.001 0.000 0.233 435 R C 2.093 178.498 176.300 0.175 0.000 1.137 435 R CA 1.852 58.096 56.100 0.240 0.000 0.945 435 R CB -0.560 29.861 30.300 0.201 0.000 0.845 435 R HN 0.707 nan 8.270 nan 0.000 0.430 436 N N -0.558 118.224 118.700 0.136 0.000 2.104 436 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 436 N C 1.792 177.383 175.510 0.136 0.000 1.024 436 N CA 1.231 54.350 53.050 0.115 0.000 0.853 436 N CB -0.210 38.335 38.487 0.097 0.000 1.008 436 N HN 0.283 nan 8.380 nan 0.000 0.424 437 H N 1.297 120.435 119.070 0.113 0.000 2.387 437 H HA -0.001 4.554 4.556 -0.001 0.000 0.299 437 H C 2.217 177.622 175.328 0.127 0.000 1.090 437 H CA 1.442 57.577 56.048 0.145 0.000 1.332 437 H CB 0.094 30.003 29.762 0.246 0.000 1.386 437 H HN 0.054 nan 8.280 nan 0.000 0.516 438 R N 0.304 120.884 120.500 0.134 0.000 2.070 438 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 438 R C 1.418 177.726 176.300 0.013 0.000 1.138 438 R CA 1.906 58.059 56.100 0.088 0.000 0.936 438 R CB -0.224 30.203 30.300 0.212 0.000 0.839 438 R HN 0.393 nan 8.270 nan 0.000 0.429 439 D N 0.649 121.074 120.400 0.041 0.000 2.190 439 D HA -0.179 4.460 4.640 -0.001 0.000 0.200 439 D C 1.699 177.995 176.300 -0.007 0.000 0.992 439 D CA 1.442 55.455 54.000 0.021 0.000 0.854 439 D CB -0.249 40.574 40.800 0.037 0.000 0.936 439 D HN 0.444 nan 8.370 nan 0.000 0.462 440 A N -0.116 122.683 122.820 -0.035 0.000 1.972 440 A HA 0.137 4.456 4.320 -0.001 0.000 0.219 440 A C 2.062 179.608 177.584 -0.064 0.000 1.169 440 A CA 2.380 54.386 52.037 -0.051 0.000 0.635 440 A CB -0.256 18.691 19.000 -0.087 0.000 0.810 440 A HN 0.376 nan 8.150 nan 0.000 0.446 441 G N -3.193 105.552 108.800 -0.092 0.000 2.296 441 G HA2 0.255 4.214 3.960 -0.001 0.000 0.188 441 G HA3 0.255 4.214 3.960 -0.001 0.000 0.188 441 G C 0.357 175.206 174.900 -0.084 0.000 1.000 441 G CA 0.195 45.256 45.100 -0.065 0.000 0.672 441 G HN 1.474 nan 8.290 nan 0.000 0.483 442 A N 0.857 123.569 122.820 -0.180 0.000 2.322 442 A HA 0.781 5.101 4.320 -0.001 0.000 0.269 442 A C -2.006 175.555 177.584 -0.038 0.000 1.094 442 A CA -1.098 50.852 52.037 -0.146 0.000 0.807 442 A CB 0.365 19.205 19.000 -0.268 0.000 1.047 442 A HN 0.105 nan 8.150 nan 0.000 0.487 443 P HA 0.239 nan 4.420 nan 0.000 0.267 443 P C -0.503 176.973 177.300 0.294 0.000 1.200 443 P CA 0.648 63.836 63.100 0.146 0.000 0.772 443 P CB 0.678 32.507 31.700 0.214 0.000 0.855 444 T N 1.730 116.331 114.554 0.078 0.000 2.982 444 T HA 0.570 4.920 4.350 -0.001 0.000 0.321 444 T C -1.368 173.208 174.700 -0.206 0.000 1.229 444 T CA -0.392 61.800 62.100 0.153 0.000 1.044 444 T CB 0.867 69.895 68.868 0.268 0.000 1.184 444 T HN 0.153 nan 8.240 nan 0.000 0.477 445 Y N 0.834 121.101 120.300 -0.056 0.000 2.513 445 Y HA 0.692 5.242 4.550 -0.001 0.000 0.340 445 Y C -0.316 175.549 175.900 -0.059 0.000 1.055 445 Y CA -1.172 56.851 58.100 -0.127 0.000 1.020 445 Y CB 2.112 40.173 38.460 -0.665 0.000 1.301 445 Y HN 0.423 nan 8.280 nan 0.000 0.453 446 M N 3.380 123.246 119.600 0.443 0.000 2.591 446 M HA 0.579 5.058 4.480 -0.001 0.000 0.306 446 M C -1.544 175.128 176.300 0.619 0.000 1.190 446 M CA -1.027 54.442 55.300 0.282 0.000 0.889 446 M CB 3.017 35.609 32.600 -0.013 0.000 1.728 446 M HN 0.735 nan 8.290 nan 0.000 0.458 447 Y N -1.534 118.987 120.300 0.368 0.000 2.588 447 Y HA 0.699 5.249 4.550 -0.001 0.000 0.343 447 Y C -1.393 174.646 175.900 0.232 0.000 1.065 447 Y CA -0.978 57.258 58.100 0.228 0.000 1.038 447 Y CB 1.598 40.129 38.460 0.119 0.000 1.297 447 Y HN 0.711 nan 8.280 nan 0.000 0.467 448 E N 3.301 123.814 120.200 0.522 0.000 2.331 448 E HA 0.244 4.593 4.350 -0.001 0.000 0.243 448 E C -1.900 174.956 176.600 0.425 0.000 0.925 448 E CA -0.820 55.823 56.400 0.406 0.000 0.760 448 E CB 0.684 30.588 29.700 0.339 0.000 1.254 448 E HN 0.654 nan 8.360 nan 0.000 0.419 449 F N 3.429 123.616 119.950 0.394 0.000 2.541 449 F HA 0.052 4.579 4.527 -0.001 0.000 0.378 449 F C 0.229 176.133 175.800 0.175 0.000 1.068 449 F CA 0.699 58.842 58.000 0.238 0.000 1.199 449 F CB 0.685 39.825 39.000 0.233 0.000 1.091 449 F HN 0.483 nan 8.300 nan 0.000 0.555 450 Q N 6.773 126.400 119.800 -0.290 0.000 3.244 450 Q HA 0.227 4.566 4.340 -0.001 0.000 0.249 450 Q C -2.201 173.673 176.000 -0.211 0.000 0.951 450 Q CA -0.504 55.217 55.803 -0.137 0.000 0.740 450 Q CB 0.534 29.255 28.738 -0.029 0.000 1.334 450 Q HN 0.749 nan 8.270 nan 0.000 0.448 451 Y N 0.201 120.240 120.300 -0.435 0.000 2.581 451 Y HA 0.465 5.014 4.550 -0.001 0.000 0.337 451 Y C -1.847 174.014 175.900 -0.065 0.000 1.108 451 Y CA -1.012 56.897 58.100 -0.318 0.000 1.033 451 Y CB 1.606 39.748 38.460 -0.531 0.000 1.318 451 Y HN 0.390 nan 8.280 nan 0.000 0.459 452 R N 6.218 126.248 120.500 -0.783 0.000 2.295 452 R HA 0.507 4.847 4.340 -0.001 0.000 0.324 452 R C -2.800 173.175 176.300 -0.542 0.000 0.968 452 R CA -2.056 53.768 56.100 -0.460 0.000 0.837 452 R CB 1.165 31.238 30.300 -0.377 0.000 1.133 452 R HN 0.447 nan 8.270 nan 0.000 0.450 453 P HA 0.025 nan 4.420 nan 0.000 0.275 453 P C -0.037 177.010 177.300 -0.421 0.000 1.227 453 P CA -0.169 62.782 63.100 -0.250 0.000 0.781 453 P CB 1.676 33.301 31.700 -0.124 0.000 0.906 454 S N 1.441 116.755 115.700 -0.643 0.000 2.603 454 S HA 0.056 4.526 4.470 -0.001 0.000 0.220 454 S C 0.926 175.265 174.600 -0.435 0.000 0.967 454 S CA -0.027 57.847 58.200 -0.543 0.000 0.920 454 S CB -0.974 61.881 63.200 -0.575 0.000 0.773 454 S HN 0.445 nan 8.310 nan 0.000 0.529 455 F N 1.970 121.678 119.950 -0.403 0.000 2.645 455 F HA 0.378 4.904 4.527 -0.001 0.000 0.300 455 F C 1.270 176.815 175.800 -0.424 0.000 1.115 455 F CA -0.892 56.812 58.000 -0.493 0.000 1.355 455 F CB 0.132 38.619 39.000 -0.855 0.000 1.026 455 F HN 0.118 nan 8.300 nan 0.000 0.536 456 S N -0.274 115.330 115.700 -0.160 0.000 2.625 456 S HA 0.118 4.588 4.470 -0.001 0.000 0.262 456 S C 0.366 174.951 174.600 -0.026 0.000 1.223 456 S CA -0.564 57.603 58.200 -0.055 0.000 0.993 456 S CB 0.981 64.123 63.200 -0.097 0.000 1.051 456 S HN 0.166 nan 8.310 nan 0.000 0.562 457 S N 0.135 115.811 115.700 -0.040 0.000 2.525 457 S HA 0.154 4.624 4.470 -0.001 0.000 0.278 457 S C 0.592 175.102 174.600 -0.149 0.000 1.234 457 S CA -0.757 57.419 58.200 -0.041 0.000 1.058 457 S CB 0.296 63.535 63.200 0.064 0.000 0.983 457 S HN 0.537 nan 8.310 nan 0.000 0.495 458 D N 3.989 124.337 120.400 -0.087 0.000 2.190 458 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 458 D C 1.431 177.641 176.300 -0.150 0.000 0.992 458 D CA 1.552 55.490 54.000 -0.103 0.000 0.854 458 D CB -0.064 40.703 40.800 -0.054 0.000 0.936 458 D HN 0.632 nan 8.370 nan 0.000 0.462 459 M N 0.063 119.576 119.600 -0.145 0.000 2.686 459 M HA -0.045 4.434 4.480 -0.001 0.000 0.246 459 M C 0.875 176.905 176.300 -0.450 0.000 1.096 459 M CA 0.449 55.656 55.300 -0.156 0.000 1.076 459 M CB 0.115 32.736 32.600 0.034 0.000 1.504 459 M HN -0.213 nan 8.290 nan 0.000 0.524 460 K N 2.670 122.641 120.400 -0.715 0.000 2.211 460 K HA 0.302 4.621 4.320 -0.001 0.000 0.275 460 K C -2.319 173.949 176.600 -0.553 0.000 1.024 460 K CA -1.836 53.782 56.287 -1.115 0.000 0.887 460 K CB 1.113 32.850 32.500 -1.272 0.000 1.084 460 K HN -0.125 nan 8.250 nan 0.000 0.463 461 P HA -0.037 nan 4.420 nan 0.000 0.266 461 P C -0.615 176.570 177.300 -0.192 0.000 1.193 461 P CA 0.123 63.087 63.100 -0.225 0.000 0.770 461 P CB 0.679 32.294 31.700 -0.142 0.000 0.836 462 K N 0.600 120.915 120.400 -0.142 0.000 2.444 462 K HA 0.011 4.330 4.320 -0.001 0.000 0.193 462 K C 1.508 178.047 176.600 -0.100 0.000 1.024 462 K CA 0.785 56.994 56.287 -0.130 0.000 1.077 462 K CB -0.109 32.321 32.500 -0.117 0.000 0.833 462 K HN 0.622 nan 8.250 nan 0.000 0.517 463 T N -2.717 111.791 114.554 -0.077 0.000 3.044 463 T HA 0.066 4.416 4.350 -0.001 0.000 0.255 463 T C 0.880 175.561 174.700 -0.033 0.000 1.073 463 T CA -0.148 61.924 62.100 -0.047 0.000 1.125 463 T CB 0.027 68.881 68.868 -0.023 0.000 0.908 463 T HN -0.227 nan 8.240 nan 0.000 0.480 464 V N 2.797 122.689 119.914 -0.036 0.000 2.470 464 V HA 0.388 4.507 4.120 -0.001 0.000 0.276 464 V C 0.077 176.162 176.094 -0.014 0.000 1.040 464 V CA -0.446 61.854 62.300 -0.000 0.000 1.008 464 V CB 0.259 32.097 31.823 0.025 0.000 0.990 464 V HN 0.443 nan 8.190 nan 0.000 0.477 465 I N 3.236 123.811 120.570 0.009 0.000 2.569 465 I HA 0.612 4.782 4.170 -0.001 0.000 0.296 465 I C 0.929 177.088 176.117 0.070 0.000 1.028 465 I CA -0.627 60.670 61.300 -0.005 0.000 1.082 465 I CB 1.892 39.867 38.000 -0.042 0.000 1.264 465 I HN 0.802 nan 8.210 nan 0.000 0.429 466 G N 3.712 112.586 108.800 0.123 0.000 2.367 466 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.295 466 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.295 466 G C -0.359 174.670 174.900 0.215 0.000 1.019 466 G CA 0.039 45.295 45.100 0.260 0.000 1.224 466 G HN 0.737 nan 8.290 nan 0.000 0.510 467 D N -0.796 119.723 120.400 0.198 0.000 2.440 467 D HA 0.354 4.994 4.640 -0.001 0.000 0.269 467 D C 0.998 177.386 176.300 0.146 0.000 1.249 467 D CA -0.627 53.484 54.000 0.185 0.000 1.055 467 D CB 0.366 41.310 40.800 0.241 0.000 1.104 467 D HN 0.426 nan 8.370 nan 0.000 0.561 468 H N -1.045 118.044 119.070 0.031 0.000 3.046 468 H HA 0.300 4.856 4.556 -0.001 0.000 0.303 468 H C 1.267 176.556 175.328 -0.065 0.000 1.002 468 H CA 1.506 57.528 56.048 -0.044 0.000 1.460 468 H CB -0.125 29.623 29.762 -0.024 0.000 1.493 468 H HN 0.557 nan 8.280 nan 0.000 0.559 469 G N 4.477 112.943 108.800 -0.557 0.000 2.196 469 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.268 469 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.268 469 G C 1.180 175.789 174.900 -0.484 0.000 0.975 469 G CA 0.670 45.426 45.100 -0.572 0.000 0.648 469 G HN 0.695 nan 8.290 nan 0.000 0.538 470 D N 0.793 121.051 120.400 -0.236 0.000 2.354 470 D HA -0.053 4.587 4.640 -0.001 0.000 0.216 470 D C 2.401 178.511 176.300 -0.317 0.000 0.970 470 D CA 1.279 55.255 54.000 -0.040 0.000 0.905 470 D CB 0.024 40.966 40.800 0.237 0.000 0.903 470 D HN 0.788 nan 8.370 nan 0.000 0.508 471 E N 0.676 120.379 120.200 -0.828 0.000 2.358 471 E HA -0.114 4.236 4.350 -0.001 0.000 0.195 471 E C 2.123 178.382 176.600 -0.568 0.000 1.010 471 E CA 0.083 55.667 56.400 -1.361 0.000 0.856 471 E CB -0.522 28.388 29.700 -1.316 0.000 0.795 471 E HN 0.310 nan 8.360 nan 0.000 0.504 472 L N 0.218 121.163 121.223 -0.463 0.000 1.965 472 L HA -0.247 4.092 4.340 -0.001 0.000 0.226 472 L C 2.726 179.447 176.870 -0.248 0.000 1.083 472 L CA 2.321 56.930 54.840 -0.385 0.000 0.790 472 L CB -1.067 40.580 42.059 -0.687 0.000 0.898 472 L HN 0.039 nan 8.230 nan 0.000 0.439 473 F N -0.104 119.834 119.950 -0.021 0.000 2.135 473 F HA -0.329 4.198 4.527 -0.000 0.000 0.300 473 F C 2.657 178.529 175.800 0.119 0.000 1.074 473 F CA 1.478 59.544 58.000 0.110 0.000 1.262 473 F CB -0.837 38.315 39.000 0.253 0.000 1.013 473 F HN 0.079 nan 8.300 nan 0.000 0.489 474 S N 0.173 115.981 115.700 0.180 0.000 2.325 474 S HA -0.127 4.343 4.470 -0.001 0.000 0.213 474 S C 2.275 176.851 174.600 -0.039 0.000 1.031 474 S CA 1.146 59.389 58.200 0.072 0.000 0.984 474 S CB -0.724 62.480 63.200 0.007 0.000 0.939 474 S HN 0.112 nan 8.310 nan 0.000 0.438 475 V N 1.008 120.798 119.914 -0.207 0.000 2.277 475 V HA -0.223 3.897 4.120 -0.001 0.000 0.255 475 V C 1.355 177.343 176.094 -0.177 0.000 1.074 475 V CA 1.766 63.885 62.300 -0.302 0.000 1.058 475 V CB -0.783 30.896 31.823 -0.241 0.000 0.656 475 V HN 0.427 nan 8.190 nan 0.000 0.449 476 F N 0.637 120.506 119.950 -0.134 0.000 2.916 476 F HA 0.511 5.038 4.527 -0.001 0.000 0.294 476 F C 1.594 177.402 175.800 0.013 0.000 1.189 476 F CA -0.120 57.822 58.000 -0.096 0.000 1.369 476 F CB -0.441 38.462 39.000 -0.162 0.000 0.961 476 F HN 0.208 nan 8.300 nan 0.000 0.508 477 G N 0.822 109.730 108.800 0.180 0.000 2.450 477 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.302 477 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.302 477 G C 1.416 176.603 174.900 0.478 0.000 0.957 477 G CA 0.496 45.836 45.100 0.399 0.000 1.005 477 G HN 0.634 nan 8.290 nan 0.000 0.514 478 A N 0.110 123.144 122.820 0.357 0.000 1.978 478 A HA 0.054 4.374 4.320 -0.001 0.000 0.220 478 A C 0.697 178.381 177.584 0.166 0.000 1.170 478 A CA 2.023 54.206 52.037 0.242 0.000 0.636 478 A CB -0.743 18.480 19.000 0.372 0.000 0.810 478 A HN 0.484 nan 8.150 nan 0.000 0.448 479 P HA -0.128 nan 4.420 nan 0.000 0.221 479 P C 0.672 177.797 177.300 -0.293 0.000 1.145 479 P CA 1.086 64.171 63.100 -0.026 0.000 0.795 479 P CB -0.097 31.402 31.700 -0.335 0.000 0.775 480 F N -2.080 117.943 119.950 0.121 0.000 2.274 480 F HA 0.102 4.629 4.527 -0.001 0.000 0.288 480 F C 2.183 178.030 175.800 0.078 0.000 1.069 480 F CA 0.530 58.610 58.000 0.133 0.000 1.343 480 F CB -1.426 37.711 39.000 0.227 0.000 1.089 480 F HN -0.275 nan 8.300 nan 0.000 0.517 481 L N -0.098 121.284 121.223 0.265 0.000 2.056 481 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 481 L C 1.745 178.620 176.870 0.008 0.000 1.078 481 L CA 1.290 56.200 54.840 0.118 0.000 0.749 481 L CB -0.660 41.453 42.059 0.089 0.000 0.901 481 L HN 0.072 nan 8.230 nan 0.000 0.433 482 K N -0.028 120.312 120.400 -0.100 0.000 3.029 482 K HA 0.258 4.578 4.320 -0.001 0.000 0.347 482 K C -0.191 176.341 176.600 -0.115 0.000 0.994 482 K CA -0.064 56.087 56.287 -0.226 0.000 1.278 482 K CB 0.202 32.308 32.500 -0.657 0.000 1.270 482 K HN -0.046 nan 8.250 nan 0.000 0.550 483 E N -2.218 117.912 120.200 -0.116 0.000 2.478 483 E HA 0.267 4.617 4.350 -0.001 0.000 0.293 483 E C -1.530 175.111 176.600 0.069 0.000 1.011 483 E CA 0.056 56.455 56.400 -0.002 0.000 0.834 483 E CB 1.897 31.595 29.700 -0.005 0.000 1.226 483 E HN 0.713 nan 8.360 nan 0.000 0.419 484 G N 1.282 110.134 108.800 0.086 0.000 2.467 484 G HA2 0.099 4.059 3.960 -0.001 0.000 0.242 484 G HA3 0.099 4.059 3.960 -0.001 0.000 0.242 484 G C -0.458 174.514 174.900 0.120 0.000 1.127 484 G CA -0.126 45.027 45.100 0.088 0.000 0.924 484 G HN 0.612 nan 8.290 nan 0.000 0.499 485 A N 0.061 122.932 122.820 0.086 0.000 2.350 485 A HA 0.958 5.278 4.320 -0.001 0.000 0.324 485 A C 0.630 178.179 177.584 -0.059 0.000 1.118 485 A CA 0.444 52.471 52.037 -0.015 0.000 0.783 485 A CB 1.218 20.247 19.000 0.048 0.000 1.236 485 A HN 2.045 nan 8.150 nan 0.000 0.457 486 S N 0.943 116.590 115.700 -0.088 0.000 2.579 486 S HA 0.137 4.607 4.470 -0.001 0.000 0.275 486 S C 0.871 175.428 174.600 -0.071 0.000 1.345 486 S CA 0.553 58.713 58.200 -0.066 0.000 1.031 486 S CB 0.966 64.131 63.200 -0.058 0.000 0.892 486 S HN 0.804 nan 8.310 nan 0.000 0.529 487 E N 1.027 121.193 120.200 -0.058 0.000 2.171 487 E HA -0.227 4.122 4.350 -0.001 0.000 0.197 487 E C 1.773 178.328 176.600 -0.074 0.000 0.997 487 E CA 1.994 58.356 56.400 -0.062 0.000 0.810 487 E CB -0.280 29.394 29.700 -0.043 0.000 0.738 487 E HN 0.848 nan 8.360 nan 0.000 0.467 488 E N 0.252 120.414 120.200 -0.064 0.000 2.017 488 E HA -0.265 4.085 4.350 -0.001 0.000 0.193 488 E C 2.025 178.552 176.600 -0.122 0.000 0.997 488 E CA 1.410 57.767 56.400 -0.072 0.000 0.804 488 E CB -0.222 29.461 29.700 -0.028 0.000 0.757 488 E HN 0.419 nan 8.360 nan 0.000 0.448 489 E N 0.163 120.308 120.200 -0.092 0.000 2.209 489 E HA -0.186 4.164 4.350 -0.001 0.000 0.196 489 E C 2.193 178.694 176.600 -0.165 0.000 0.993 489 E CA 0.785 57.105 56.400 -0.133 0.000 0.819 489 E CB -0.031 29.627 29.700 -0.069 0.000 0.745 489 E HN 0.356 nan 8.360 nan 0.000 0.477 490 I N -0.019 120.451 120.570 -0.168 0.000 2.233 490 I HA -0.224 3.946 4.170 -0.001 0.000 0.243 490 I C 2.696 178.721 176.117 -0.152 0.000 1.093 490 I CA 0.838 61.995 61.300 -0.238 0.000 1.380 490 I CB -0.160 37.695 38.000 -0.242 0.000 1.067 490 I HN 0.020 nan 8.210 nan 0.000 0.413 491 R N 0.263 120.694 120.500 -0.115 0.000 2.120 491 R HA -0.196 4.143 4.340 -0.001 0.000 0.234 491 R C 2.162 178.394 176.300 -0.114 0.000 1.123 491 R CA 1.143 57.192 56.100 -0.086 0.000 0.975 491 R CB -0.228 30.024 30.300 -0.080 0.000 0.866 491 R HN 0.215 nan 8.270 nan 0.000 0.446 492 L N 0.017 121.137 121.223 -0.171 0.000 2.005 492 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 492 L C 2.195 178.981 176.870 -0.139 0.000 1.072 492 L CA 2.168 56.879 54.840 -0.216 0.000 0.744 492 L CB -1.094 40.727 42.059 -0.398 0.000 0.895 492 L HN 0.078 nan 8.230 nan 0.000 0.433 493 S N -0.457 115.195 115.700 -0.080 0.000 2.359 493 S HA -0.305 4.165 4.470 -0.001 0.000 0.223 493 S C 2.091 176.691 174.600 0.000 0.000 1.039 493 S CA 1.955 60.160 58.200 0.009 0.000 1.042 493 S CB -0.386 62.905 63.200 0.152 0.000 0.915 493 S HN 0.566 nan 8.310 nan 0.000 0.439 494 K N 0.084 120.515 120.400 0.051 0.000 2.173 494 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 494 K C 2.245 178.778 176.600 -0.111 0.000 1.046 494 K CA 1.794 58.067 56.287 -0.023 0.000 0.929 494 K CB -0.286 32.223 32.500 0.015 0.000 0.720 494 K HN 0.523 nan 8.250 nan 0.000 0.453 495 M N 0.427 119.937 119.600 -0.150 0.000 2.073 495 M HA -0.161 4.319 4.480 -0.001 0.000 0.259 495 M C 2.062 178.178 176.300 -0.307 0.000 1.079 495 M CA 1.446 56.579 55.300 -0.279 0.000 1.131 495 M CB 0.002 32.441 32.600 -0.269 0.000 1.316 495 M HN -0.095 nan 8.290 nan 0.000 0.415 496 V N 1.231 121.041 119.914 -0.174 0.000 2.370 496 V HA -0.361 3.758 4.120 -0.001 0.000 0.252 496 V C 2.480 178.515 176.094 -0.099 0.000 1.068 496 V CA 1.903 64.132 62.300 -0.118 0.000 1.061 496 V CB -0.824 30.781 31.823 -0.363 0.000 0.656 496 V HN 0.573 nan 8.190 nan 0.000 0.455 497 M N -0.871 118.649 119.600 -0.133 0.000 2.086 497 M HA -0.187 4.293 4.480 -0.001 0.000 0.261 497 M C 2.339 178.669 176.300 0.049 0.000 1.067 497 M CA 1.810 57.065 55.300 -0.074 0.000 1.116 497 M CB -0.692 31.840 32.600 -0.113 0.000 1.348 497 M HN 0.291 nan 8.290 nan 0.000 0.407 498 K N 0.056 120.450 120.400 -0.010 0.000 2.032 498 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 498 K C 1.907 178.631 176.600 0.206 0.000 1.048 498 K CA 1.535 57.836 56.287 0.024 0.000 0.927 498 K CB -0.384 32.054 32.500 -0.103 0.000 0.712 498 K HN 0.271 nan 8.250 nan 0.000 0.441 499 F N 0.140 120.237 119.950 0.245 0.000 2.011 499 F HA -0.305 4.222 4.527 -0.001 0.000 0.296 499 F C 2.611 178.663 175.800 0.421 0.000 1.144 499 F CA 0.891 59.122 58.000 0.385 0.000 1.185 499 F CB -0.421 38.961 39.000 0.636 0.000 0.961 499 F HN 0.250 nan 8.300 nan 0.000 0.485 500 W N 0.343 121.800 121.300 0.261 0.000 2.301 500 W HA -0.338 4.321 4.660 -0.001 0.000 0.325 500 W C 2.692 179.241 176.519 0.050 0.000 1.250 500 W CA 0.899 58.298 57.345 0.090 0.000 1.261 500 W CB -0.880 28.579 29.460 -0.001 0.000 1.157 500 W HN 0.095 nan 8.180 nan 0.000 0.473 501 A N 0.711 123.693 122.820 0.269 0.000 1.892 501 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 501 A C 1.770 179.423 177.584 0.115 0.000 1.188 501 A CA 2.225 54.336 52.037 0.124 0.000 0.631 501 A CB -1.223 17.829 19.000 0.088 0.000 0.822 501 A HN 0.315 nan 8.150 nan 0.000 0.447 502 N N -1.114 117.682 118.700 0.161 0.000 2.069 502 N HA -0.155 4.584 4.740 -0.001 0.000 0.191 502 N C 1.483 177.040 175.510 0.080 0.000 1.031 502 N CA 1.610 54.733 53.050 0.122 0.000 0.852 502 N CB -0.665 37.928 38.487 0.175 0.000 1.018 502 N HN 0.525 nan 8.380 nan 0.000 0.423 503 F N 1.779 121.687 119.950 -0.070 0.000 2.120 503 F HA -0.171 4.355 4.527 -0.001 0.000 0.300 503 F C 2.118 177.839 175.800 -0.132 0.000 1.095 503 F CA 1.567 59.447 58.000 -0.200 0.000 1.249 503 F CB -0.402 38.391 39.000 -0.345 0.000 0.995 503 F HN 0.046 nan 8.300 nan 0.000 0.480 504 A N -0.295 122.529 122.820 0.007 0.000 2.172 504 A HA -0.064 4.256 4.320 -0.001 0.000 0.216 504 A C 2.272 179.799 177.584 -0.095 0.000 1.154 504 A CA 1.135 53.131 52.037 -0.069 0.000 0.701 504 A CB -0.599 18.388 19.000 -0.021 0.000 0.789 504 A HN 0.487 nan 8.150 nan 0.000 0.465 505 R N -1.093 119.357 120.500 -0.083 0.000 2.103 505 R HA 0.082 4.421 4.340 -0.001 0.000 0.212 505 R C 0.964 177.201 176.300 -0.105 0.000 1.107 505 R CA 0.978 57.037 56.100 -0.068 0.000 1.025 505 R CB 0.069 30.356 30.300 -0.021 0.000 0.929 505 R HN 0.484 nan 8.270 nan 0.000 0.456 506 N N -1.565 117.056 118.700 -0.130 0.000 2.257 506 N HA 0.084 4.824 4.740 -0.001 0.000 0.200 506 N C 0.672 176.054 175.510 -0.214 0.000 1.163 506 N CA 0.956 53.928 53.050 -0.130 0.000 0.891 506 N CB 1.810 40.256 38.487 -0.067 0.000 1.067 506 N HN 0.339 nan 8.380 nan 0.000 0.497 507 G N 1.478 110.034 108.800 -0.406 0.000 2.141 507 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.242 507 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.242 507 G C -0.194 174.461 174.900 -0.408 0.000 0.982 507 G CA -0.006 44.700 45.100 -0.657 0.000 0.662 507 G HN 0.401 nan 8.290 nan 0.000 0.527 508 N N 0.158 118.705 118.700 -0.255 0.000 2.549 508 N HA 0.373 5.113 4.740 -0.001 0.000 0.281 508 N C -1.081 174.327 175.510 -0.169 0.000 1.084 508 N CA -1.279 51.660 53.050 -0.186 0.000 0.862 508 N CB 2.357 40.839 38.487 -0.008 0.000 1.333 508 N HN -0.024 nan 8.380 nan 0.000 0.523 509 P HA -0.156 nan 4.420 nan 0.000 0.216 509 P C -0.009 177.402 177.300 0.186 0.000 1.150 509 P CA 0.871 63.909 63.100 -0.103 0.000 0.843 509 P CB 0.210 31.581 31.700 -0.549 0.000 0.787 510 N N 0.695 119.453 118.700 0.096 0.000 2.283 510 N HA 0.135 4.875 4.740 -0.001 0.000 0.236 510 N C 1.033 176.683 175.510 0.233 0.000 1.252 510 N CA 1.527 54.718 53.050 0.236 0.000 0.856 510 N CB 0.133 38.728 38.487 0.181 0.000 1.099 510 N HN 0.238 nan 8.380 nan 0.000 0.444 511 G N -0.465 108.482 108.800 0.245 0.000 2.561 511 G HA2 0.133 4.093 3.960 -0.001 0.000 0.310 511 G HA3 0.133 4.093 3.960 -0.001 0.000 0.310 511 G C -1.613 173.372 174.900 0.140 0.000 1.292 511 G CA -0.525 44.673 45.100 0.163 0.000 0.811 511 G HN 0.452 nan 8.290 nan 0.000 0.482 512 E N 0.003 120.258 120.200 0.093 0.000 2.259 512 E HA 0.462 4.811 4.350 -0.001 0.000 0.281 512 E C 1.091 177.722 176.600 0.052 0.000 1.027 512 E CA 0.583 57.026 56.400 0.072 0.000 0.838 512 E CB 0.778 30.510 29.700 0.053 0.000 1.066 512 E HN 1.746 nan 8.360 nan 0.000 0.401 513 G N 3.857 112.688 108.800 0.052 0.000 2.199 513 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.254 513 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.254 513 G C 0.092 175.002 174.900 0.016 0.000 0.982 513 G CA 0.465 45.581 45.100 0.027 0.000 0.632 513 G HN 0.455 nan 8.290 nan 0.000 0.529 514 L N 1.004 122.255 121.223 0.046 0.000 2.331 514 L HA 0.611 4.950 4.340 -0.001 0.000 0.275 514 L C -1.599 175.395 176.870 0.207 0.000 1.022 514 L CA -2.434 52.431 54.840 0.042 0.000 0.812 514 L CB 0.992 43.037 42.059 -0.022 0.000 1.257 514 L HN -0.133 nan 8.230 nan 0.000 0.435 515 P HA -0.010 nan 4.420 nan 0.000 0.272 515 P C -1.072 176.443 177.300 0.358 0.000 1.248 515 P CA -0.159 63.102 63.100 0.268 0.000 0.799 515 P CB 0.271 32.108 31.700 0.229 0.000 0.997 516 H N -0.033 119.164 119.070 0.211 0.000 2.562 516 H HA 0.279 4.835 4.556 -0.001 0.000 0.314 516 H C -1.209 174.273 175.328 0.257 0.000 1.079 516 H CA -0.348 55.838 56.048 0.230 0.000 1.349 516 H CB 0.242 30.103 29.762 0.167 0.000 1.432 516 H HN 0.326 nan 8.280 nan 0.000 0.479 517 W N 10.149 131.113 121.300 -0.559 0.000 2.282 517 W HA 0.314 4.974 4.660 -0.001 0.000 0.322 517 W C -2.783 173.532 176.519 -0.341 0.000 1.011 517 W CA -3.264 53.869 57.345 -0.353 0.000 1.392 517 W CB 0.669 29.899 29.460 -0.383 0.000 1.215 517 W HN 0.560 nan 8.180 nan 0.000 0.394 518 P HA -0.002 nan 4.420 nan 0.000 0.271 518 P C -0.125 177.338 177.300 0.272 0.000 1.216 518 P CA 0.274 63.550 63.100 0.293 0.000 0.776 518 P CB 1.316 33.190 31.700 0.291 0.000 0.881 519 E N 1.936 122.166 120.200 0.050 0.000 2.404 519 E HA -0.056 4.293 4.350 -0.001 0.000 0.261 519 E C -0.879 175.643 176.600 -0.130 0.000 1.074 519 E CA -0.426 55.718 56.400 -0.427 0.000 0.917 519 E CB 0.210 29.690 29.700 -0.366 0.000 0.965 519 E HN 0.393 nan 8.360 nan 0.000 0.433 520 Y N 5.172 125.302 120.300 -0.282 0.000 2.636 520 Y HA 0.095 4.645 4.550 -0.001 0.000 0.334 520 Y C -0.336 175.533 175.900 -0.051 0.000 1.286 520 Y CA -0.547 57.516 58.100 -0.061 0.000 1.688 520 Y CB -0.671 37.779 38.460 -0.016 0.000 1.662 520 Y HN 0.465 nan 8.280 nan 0.000 0.465 521 N N -0.225 118.377 118.700 -0.165 0.000 2.645 521 N HA 0.069 4.808 4.740 -0.001 0.000 0.308 521 N C 0.869 176.260 175.510 -0.198 0.000 1.335 521 N CA -0.350 52.626 53.050 -0.124 0.000 0.909 521 N CB 0.174 38.617 38.487 -0.072 0.000 1.109 521 N HN 0.218 nan 8.380 nan 0.000 0.555 522 Q N -0.665 119.069 119.800 -0.110 0.000 2.248 522 Q HA -0.134 4.206 4.340 -0.001 0.000 0.208 522 Q C 1.300 177.227 176.000 -0.121 0.000 0.984 522 Q CA 1.455 57.200 55.803 -0.097 0.000 0.875 522 Q CB -0.406 28.304 28.738 -0.046 0.000 0.910 522 Q HN 0.577 nan 8.270 nan 0.000 0.433 523 K N 0.983 121.313 120.400 -0.115 0.000 2.365 523 K HA -0.065 4.255 4.320 -0.001 0.000 0.199 523 K C -0.254 176.262 176.600 -0.140 0.000 1.045 523 K CA 0.147 56.383 56.287 -0.086 0.000 0.962 523 K CB 0.220 32.696 32.500 -0.040 0.000 0.759 523 K HN 0.170 nan 8.250 nan 0.000 0.469 524 E N -0.192 119.807 120.200 -0.336 0.000 2.273 524 E HA -0.183 4.167 4.350 -0.001 0.000 0.177 524 E C -0.402 176.105 176.600 -0.155 0.000 1.511 524 E CA 0.360 56.379 56.400 -0.636 0.000 0.675 524 E CB -1.620 27.802 29.700 -0.462 0.000 1.094 524 E HN 0.458 nan 8.360 nan 0.000 0.348 525 G N 1.282 110.074 108.800 -0.013 0.000 2.388 525 G HA2 0.582 4.542 3.960 -0.001 0.000 0.330 525 G HA3 0.582 4.542 3.960 -0.001 0.000 0.330 525 G C -0.572 174.599 174.900 0.451 0.000 1.142 525 G CA -0.596 44.630 45.100 0.210 0.000 0.908 525 G HN 0.306 nan 8.290 nan 0.000 0.473 526 Y N 0.388 120.842 120.300 0.258 0.000 2.633 526 Y HA 0.789 5.339 4.550 -0.000 0.000 0.339 526 Y C -1.039 174.907 175.900 0.076 0.000 1.045 526 Y CA -1.904 56.371 58.100 0.292 0.000 1.098 526 Y CB 1.909 40.518 38.460 0.250 0.000 1.296 526 Y HN 0.498 nan 8.280 nan 0.000 0.494 527 L N 2.389 123.510 121.223 -0.169 0.000 2.282 527 L HA 0.414 4.753 4.340 -0.001 0.000 0.288 527 L C -0.862 175.843 176.870 -0.274 0.000 1.033 527 L CA -0.655 53.845 54.840 -0.566 0.000 0.807 527 L CB 1.609 42.751 42.059 -1.529 0.000 1.209 527 L HN 0.752 nan 8.230 nan 0.000 0.423 528 Q N 6.293 125.947 119.800 -0.242 0.000 2.421 528 Q HA 0.405 4.745 4.340 -0.001 0.000 0.242 528 Q C -0.813 175.125 176.000 -0.103 0.000 1.024 528 Q CA -0.175 55.586 55.803 -0.070 0.000 0.891 528 Q CB 1.231 29.928 28.738 -0.068 0.000 1.222 528 Q HN 0.623 nan 8.270 nan 0.000 0.483 529 I N 1.671 122.195 120.570 -0.078 0.000 2.396 529 I HA 0.571 4.741 4.170 -0.001 0.000 0.292 529 I C 0.810 176.778 176.117 -0.249 0.000 0.999 529 I CA 0.081 61.304 61.300 -0.129 0.000 1.310 529 I CB 1.336 39.296 38.000 -0.067 0.000 1.404 529 I HN 0.783 nan 8.210 nan 0.000 0.496 530 G N 3.165 111.804 108.800 -0.269 0.000 2.441 530 G HA2 0.252 4.212 3.960 -0.001 0.000 0.222 530 G HA3 0.252 4.212 3.960 -0.001 0.000 0.222 530 G C 0.295 175.056 174.900 -0.231 0.000 1.254 530 G CA 0.027 44.939 45.100 -0.313 0.000 0.959 530 G HN 0.614 nan 8.290 nan 0.000 0.474 531 A N -0.131 122.661 122.820 -0.046 0.000 1.859 531 A HA 0.051 4.370 4.320 -0.001 0.000 0.217 531 A C 1.266 178.813 177.584 -0.062 0.000 1.198 531 A CA 2.563 54.594 52.037 -0.010 0.000 0.629 531 A CB -0.576 18.472 19.000 0.079 0.000 0.830 531 A HN 1.156 nan 8.150 nan 0.000 0.446 532 N N 0.102 118.773 118.700 -0.047 0.000 2.476 532 N HA 0.316 5.055 4.740 -0.001 0.000 0.257 532 N C -1.491 173.984 175.510 -0.057 0.000 0.970 532 N CA -0.078 52.945 53.050 -0.044 0.000 0.938 532 N CB 0.839 39.310 38.487 -0.027 0.000 1.144 532 N HN 0.157 nan 8.380 nan 0.000 0.500 533 T N 3.995 118.515 114.554 -0.056 0.000 2.767 533 T HA 0.476 4.826 4.350 -0.001 0.000 0.288 533 T C -0.388 174.289 174.700 -0.038 0.000 0.963 533 T CA -0.561 61.507 62.100 -0.054 0.000 1.019 533 T CB 0.758 69.612 68.868 -0.022 0.000 0.923 533 T HN 0.604 nan 8.240 nan 0.000 0.468 534 Q N 1.096 120.853 119.800 -0.072 0.000 2.527 534 Q HA 0.675 5.015 4.340 -0.001 0.000 0.280 534 Q C -1.555 174.362 176.000 -0.138 0.000 0.977 534 Q CA -1.380 54.383 55.803 -0.066 0.000 0.837 534 Q CB 1.451 30.162 28.738 -0.045 0.000 1.454 534 Q HN 0.627 nan 8.270 nan 0.000 0.387 535 A N 0.785 123.542 122.820 -0.106 0.000 2.386 535 A HA 0.833 5.153 4.320 -0.001 0.000 0.248 535 A C -0.324 177.125 177.584 -0.224 0.000 1.082 535 A CA 0.539 52.480 52.037 -0.158 0.000 0.789 535 A CB 0.575 19.569 19.000 -0.010 0.000 1.025 535 A HN 1.065 nan 8.150 nan 0.000 0.490 536 A N 0.622 123.202 122.820 -0.400 0.000 2.535 536 A HA 0.775 5.095 4.320 -0.001 0.000 0.296 536 A C -0.814 176.619 177.584 -0.251 0.000 1.248 536 A CA -0.587 51.211 52.037 -0.398 0.000 0.686 536 A CB 0.980 19.585 19.000 -0.658 0.000 1.315 536 A HN 0.843 nan 8.150 nan 0.000 0.460 537 Q N -0.255 119.562 119.800 0.028 0.000 2.544 537 Q HA 0.519 4.858 4.340 -0.001 0.000 0.291 537 Q C -1.445 174.797 176.000 0.404 0.000 1.068 537 Q CA -1.129 54.815 55.803 0.235 0.000 0.785 537 Q CB 1.836 30.637 28.738 0.104 0.000 1.481 537 Q HN 0.641 nan 8.270 nan 0.000 0.430 538 K N 1.238 121.805 120.400 0.279 0.000 4.856 538 K HA -0.210 4.109 4.320 -0.001 0.000 0.306 538 K C -0.835 175.859 176.600 0.158 0.000 0.895 538 K CA -0.021 56.380 56.287 0.190 0.000 0.963 538 K CB -1.048 31.528 32.500 0.127 0.000 1.737 538 K HN 0.382 nan 8.250 nan 0.000 0.424 539 L N 3.003 124.242 121.223 0.027 0.000 2.361 539 L HA 0.095 4.434 4.340 -0.001 0.000 0.278 539 L C 0.804 177.607 176.870 -0.112 0.000 1.113 539 L CA 0.443 55.070 54.840 -0.355 0.000 0.849 539 L CB 0.579 42.261 42.059 -0.628 0.000 1.155 539 L HN 0.403 nan 8.230 nan 0.000 0.452 540 K N 2.658 123.013 120.400 -0.075 0.000 3.281 540 K HA -0.345 3.975 4.320 -0.001 0.000 0.308 540 K C 1.129 177.771 176.600 0.069 0.000 1.218 540 K CA 1.386 57.685 56.287 0.020 0.000 0.923 540 K CB -1.494 31.017 32.500 0.019 0.000 1.222 540 K HN 1.021 nan 8.250 nan 0.000 0.440 541 D N 0.908 121.348 120.400 0.067 0.000 2.355 541 D HA -0.235 4.405 4.640 -0.001 0.000 0.192 541 D C 1.748 178.105 176.300 0.096 0.000 1.014 541 D CA 2.600 56.653 54.000 0.088 0.000 0.862 541 D CB -0.043 40.807 40.800 0.084 0.000 0.986 541 D HN 0.479 nan 8.370 nan 0.000 0.456 542 K N -0.485 119.962 120.400 0.080 0.000 2.103 542 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 542 K C 2.098 178.767 176.600 0.115 0.000 1.048 542 K CA 1.480 57.810 56.287 0.072 0.000 0.930 542 K CB -0.026 32.492 32.500 0.031 0.000 0.716 542 K HN 0.118 nan 8.250 nan 0.000 0.444 543 E N -0.194 120.092 120.200 0.143 0.000 2.204 543 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 543 E C 1.718 178.564 176.600 0.409 0.000 0.990 543 E CA 0.874 57.435 56.400 0.268 0.000 0.821 543 E CB 0.060 29.916 29.700 0.260 0.000 0.750 543 E HN 0.089 nan 8.360 nan 0.000 0.477 544 V N 0.555 120.631 119.914 0.269 0.000 2.273 544 V HA -0.200 3.920 4.120 -0.001 0.000 0.242 544 V C 2.227 178.473 176.094 0.253 0.000 1.035 544 V CA 1.464 63.920 62.300 0.260 0.000 1.013 544 V CB -1.026 30.891 31.823 0.157 0.000 0.652 544 V HN 0.346 nan 8.190 nan 0.000 0.452 545 A N 0.393 123.322 122.820 0.182 0.000 1.906 545 A HA -0.385 3.935 4.320 -0.001 0.000 0.222 545 A C 2.128 179.806 177.584 0.157 0.000 1.282 545 A CA 2.815 54.939 52.037 0.144 0.000 0.675 545 A CB -1.126 17.944 19.000 0.116 0.000 0.838 545 A HN 0.557 nan 8.150 nan 0.000 0.469 546 F N -0.833 119.104 119.950 -0.022 0.000 2.065 546 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 546 F C 1.963 177.625 175.800 -0.231 0.000 1.112 546 F CA 1.877 59.769 58.000 -0.181 0.000 1.212 546 F CB -0.853 37.943 39.000 -0.339 0.000 0.975 546 F HN 0.424 nan 8.300 nan 0.000 0.476 547 W N 0.160 121.318 121.300 -0.236 0.000 2.476 547 W HA -0.028 4.632 4.660 -0.001 0.000 0.281 547 W C 2.444 178.861 176.519 -0.170 0.000 1.230 547 W CA 1.436 58.517 57.345 -0.440 0.000 1.287 547 W CB -1.265 27.948 29.460 -0.411 0.000 1.108 547 W HN -0.186 nan 8.180 nan 0.000 0.567 548 T N 0.498 115.141 114.554 0.148 0.000 2.996 548 T HA -0.164 4.186 4.350 -0.001 0.000 0.271 548 T C 1.338 176.089 174.700 0.085 0.000 1.126 548 T CA 1.280 63.461 62.100 0.135 0.000 1.103 548 T CB -0.253 68.684 68.868 0.116 0.000 0.870 548 T HN 0.189 nan 8.240 nan 0.000 0.528 549 N N -0.086 118.622 118.700 0.012 0.000 2.606 549 N HA 0.191 4.931 4.740 -0.001 0.000 0.208 549 N C 1.491 176.980 175.510 -0.035 0.000 1.046 549 N CA 0.091 53.139 53.050 -0.003 0.000 0.891 549 N CB -0.172 38.312 38.487 -0.005 0.000 1.344 549 N HN 0.175 nan 8.380 nan 0.000 0.437 550 L N 0.643 121.747 121.223 -0.198 0.000 2.083 550 L HA 0.102 4.441 4.340 -0.001 0.000 0.209 550 L C 1.591 178.522 176.870 0.101 0.000 1.083 550 L CA 1.410 56.127 54.840 -0.205 0.000 0.752 550 L CB -0.531 41.111 42.059 -0.695 0.000 0.899 550 L HN 0.127 nan 8.230 nan 0.000 0.433 551 F N -1.377 118.548 119.950 -0.042 0.000 2.802 551 F HA 0.044 4.571 4.527 -0.001 0.000 0.300 551 F C 1.830 177.636 175.800 0.011 0.000 1.168 551 F CA 0.105 58.124 58.000 0.032 0.000 1.433 551 F CB 0.137 39.184 39.000 0.078 0.000 1.115 551 F HN 0.237 nan 8.300 nan 0.000 0.582 552 A N 0.123 123.037 122.820 0.157 0.000 2.390 552 A HA 0.199 4.519 4.320 -0.001 0.000 0.232 552 A C 0.564 178.178 177.584 0.050 0.000 1.233 552 A CA -0.149 51.931 52.037 0.072 0.000 0.907 552 A CB 0.011 19.047 19.000 0.060 0.000 0.967 552 A HN 0.252 nan 8.150 nan 0.000 0.512 553 K N 0.000 120.439 120.400 0.065 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 553 K CA 0.000 56.317 56.287 0.051 0.000 0.838 553 K CB 0.000 32.523 32.500 0.039 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543