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 3bof_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRNRREVSKL LSERVLLLDG AYGTEFMKYG YDDLPEELNI KAPDVVLKVH DATA SEQUENCE RSYIESGSDV ILTNTFGATR MKLRKHGLED KLDPIVRNAV RIARRAAGEK DATA SEQUENCE LVFGDIGPTG ELPYPLGSTL FEEFYENFRE TVEIMVEEGV DGIIFETFSD DATA SEQUENCE ILELKAAVLA AREVSRDVFL IAHMTFDEKG RSLTGTDPAN FAITFDELDI DATA SEQUENCE DALGINCSLG PEEILPIFQE LSQYTDKFLV VEPNAGKPIX XXXKTVYPLK DATA SEQUENCE PHDFAVHIDS YYELGVNIFG GCCGTTPEHV KLFRKVLGNR KPLQRKKKRI DATA SEQUENCE FAVSSPSKLV TFDHFVVIGE RINPAGRKKL WAEMQKGNEE IVIKEAKTQV DATA SEQUENCE EKGAEVLDVN FGIESQIDVR YVEKIVQTLP YVSNVPLSLD IQNVDLTERA DATA SEQUENCE LRAYPGRSLF NSAKVDEEEL EMKINLLKKY GGTLIVLLMG KDVPKSFEER DATA SEQUENCE KEYFEKALKI LERHDFSDRV IFDPGVLPLG AEGKPVEVLK TIEFISSKGF DATA SEQUENCE NTTVGLSNLS FGLPDRSYYN TAFLVLGISK GLSSAIMNPL DETLMKTLNA DATA SEQUENCE TLVILEKKEL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.312 55.300 0.019 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 R N 2.618 123.135 120.500 0.030 0.000 2.410 2 R HA 0.460 4.801 4.340 0.001 0.000 0.288 2 R C 0.155 176.486 176.300 0.052 0.000 1.051 2 R CA -0.344 55.775 56.100 0.031 0.000 1.021 2 R CB 0.751 31.061 30.300 0.017 0.000 1.032 2 R HN 0.675 nan 8.270 nan 0.000 0.481 3 N N 1.366 120.099 118.700 0.055 0.000 2.448 3 N HA 0.079 4.820 4.740 0.001 0.000 0.274 3 N C 0.374 175.956 175.510 0.120 0.000 1.239 3 N CA -0.794 52.304 53.050 0.079 0.000 0.982 3 N CB 0.940 39.466 38.487 0.065 0.000 1.199 3 N HN 0.568 nan 8.380 nan 0.000 0.576 4 R N -0.409 120.195 120.500 0.173 0.000 2.148 4 R HA -0.045 4.295 4.340 0.001 0.000 0.227 4 R C 2.086 178.553 176.300 0.278 0.000 1.103 4 R CA 0.506 56.800 56.100 0.323 0.000 0.983 4 R CB -0.271 30.204 30.300 0.292 0.000 0.874 4 R HN 0.520 nan 8.270 nan 0.000 0.451 5 R N 1.581 122.181 120.500 0.166 0.000 2.075 5 R HA -0.104 4.236 4.340 0.001 0.000 0.232 5 R C 1.531 177.893 176.300 0.102 0.000 1.126 5 R CA 1.912 58.094 56.100 0.137 0.000 0.963 5 R CB -0.101 30.256 30.300 0.095 0.000 0.858 5 R HN 0.485 nan 8.270 nan 0.000 0.435 6 E N -0.287 119.954 120.200 0.068 0.000 2.051 6 E HA -0.140 4.211 4.350 0.001 0.000 0.192 6 E C 2.002 178.588 176.600 -0.023 0.000 0.991 6 E CA 1.540 57.955 56.400 0.025 0.000 0.799 6 E CB 0.040 29.751 29.700 0.018 0.000 0.748 6 E HN 0.113 nan 8.360 nan 0.000 0.449 7 V N 0.861 120.738 119.914 -0.062 0.000 2.358 7 V HA -0.218 3.903 4.120 0.001 0.000 0.246 7 V C 2.240 178.147 176.094 -0.312 0.000 1.047 7 V CA 1.694 63.835 62.300 -0.266 0.000 1.035 7 V CB -0.340 31.145 31.823 -0.563 0.000 0.658 7 V HN 0.189 nan 8.190 nan 0.000 0.452 8 S N 0.065 115.729 115.700 -0.060 0.000 2.370 8 S HA -0.234 4.237 4.470 0.001 0.000 0.226 8 S C 2.405 177.045 174.600 0.066 0.000 1.033 8 S CA 1.995 60.246 58.200 0.085 0.000 1.011 8 S CB -0.535 62.954 63.200 0.482 0.000 0.852 8 S HN 0.742 nan 8.310 nan 0.000 0.457 9 K N 1.417 121.859 120.400 0.070 0.000 2.032 9 K HA -0.041 4.280 4.320 0.001 0.000 0.209 9 K C 2.016 178.624 176.600 0.013 0.000 1.048 9 K CA 1.780 58.104 56.287 0.062 0.000 0.927 9 K CB -1.500 31.028 32.500 0.047 0.000 0.712 9 K HN 0.301 nan 8.250 nan 0.000 0.441 10 L N 0.484 121.679 121.223 -0.048 0.000 2.012 10 L HA -0.041 4.300 4.340 0.001 0.000 0.210 10 L C 2.469 179.287 176.870 -0.087 0.000 1.073 10 L CA 1.737 56.535 54.840 -0.071 0.000 0.748 10 L CB -0.352 41.643 42.059 -0.106 0.000 0.891 10 L HN 0.434 nan 8.230 nan 0.000 0.431 11 L N -0.626 120.480 121.223 -0.195 0.000 2.093 11 L HA -0.173 4.168 4.340 0.001 0.000 0.208 11 L C 2.705 179.577 176.870 0.002 0.000 1.085 11 L CA 1.343 56.044 54.840 -0.231 0.000 0.755 11 L CB -0.790 40.822 42.059 -0.744 0.000 0.904 11 L HN 0.547 nan 8.230 nan 0.000 0.435 12 S N -0.421 115.347 115.700 0.112 0.000 2.419 12 S HA -0.207 4.264 4.470 0.001 0.000 0.233 12 S C 1.636 176.314 174.600 0.131 0.000 1.016 12 S CA 1.392 59.722 58.200 0.217 0.000 0.974 12 S CB -0.243 63.094 63.200 0.228 0.000 0.786 12 S HN 0.540 nan 8.310 nan 0.000 0.492 13 E N 0.372 120.619 120.200 0.078 0.000 2.140 13 E HA 0.244 4.595 4.350 0.001 0.000 0.191 13 E C 1.020 177.657 176.600 0.062 0.000 0.973 13 E CA 0.286 56.723 56.400 0.061 0.000 0.829 13 E CB 0.220 29.941 29.700 0.035 0.000 0.781 13 E HN 0.390 nan 8.360 nan 0.000 0.466 14 R N 0.442 120.973 120.500 0.052 0.000 2.584 14 R HA 0.261 4.602 4.340 0.001 0.000 0.276 14 R C -1.479 174.861 176.300 0.067 0.000 1.046 14 R CA -0.512 55.621 56.100 0.055 0.000 0.906 14 R CB 1.917 32.230 30.300 0.023 0.000 1.215 14 R HN -0.121 nan 8.270 nan 0.000 0.449 15 V N 5.785 125.764 119.914 0.109 0.000 2.493 15 V HA 0.081 4.201 4.120 0.001 0.000 0.292 15 V C 0.484 176.622 176.094 0.073 0.000 1.016 15 V CA 0.394 62.770 62.300 0.128 0.000 1.097 15 V CB 0.244 32.180 31.823 0.188 0.000 0.947 15 V HN 0.529 nan 8.190 nan 0.000 0.479 16 L N 5.266 126.526 121.223 0.062 0.000 2.360 16 L HA 0.505 4.846 4.340 0.001 0.000 0.271 16 L C -0.360 176.551 176.870 0.070 0.000 1.057 16 L CA -0.900 53.957 54.840 0.029 0.000 0.803 16 L CB 1.424 43.464 42.059 -0.031 0.000 1.207 16 L HN 0.367 nan 8.230 nan 0.000 0.445 17 L N 2.171 123.429 121.223 0.059 0.000 2.282 17 L HA 0.426 4.766 4.340 0.001 0.000 0.288 17 L C 0.101 176.996 176.870 0.042 0.000 1.033 17 L CA 0.266 55.173 54.840 0.111 0.000 0.807 17 L CB 1.251 43.395 42.059 0.141 0.000 1.209 17 L HN 0.437 nan 8.230 nan 0.000 0.423 18 L N 2.113 123.361 121.223 0.043 0.000 2.682 18 L HA 0.296 4.637 4.340 0.001 0.000 0.209 18 L C 0.030 176.870 176.870 -0.050 0.000 1.195 18 L CA -0.525 54.296 54.840 -0.032 0.000 0.869 18 L CB 0.707 42.749 42.059 -0.028 0.000 1.599 18 L HN 0.715 nan 8.230 nan 0.000 0.518 19 D N -1.064 119.234 120.400 -0.170 0.000 2.549 19 D HA 0.422 5.063 4.640 0.001 0.000 0.270 19 D C 0.091 176.009 176.300 -0.636 0.000 1.181 19 D CA -0.454 53.251 54.000 -0.493 0.000 1.070 19 D CB 0.408 40.857 40.800 -0.585 0.000 1.154 19 D HN 0.513 nan 8.370 nan 0.000 0.602 20 G N -1.525 106.460 108.800 -1.358 0.000 2.630 20 G HA2 0.539 4.499 3.960 0.001 0.000 0.223 20 G HA3 0.539 4.499 3.960 0.001 0.000 0.223 20 G C -0.453 174.041 174.900 -0.677 0.000 1.434 20 G CA -0.400 44.231 45.100 -0.780 0.000 1.057 20 G HN 0.677 nan 8.290 nan 0.000 0.570 21 A N -1.825 120.714 122.820 -0.468 0.000 2.351 21 A HA 0.599 4.920 4.320 0.001 0.000 0.257 21 A C 0.089 177.325 177.584 -0.580 0.000 1.087 21 A CA -0.154 51.644 52.037 -0.398 0.000 0.798 21 A CB 0.448 19.224 19.000 -0.373 0.000 1.033 21 A HN 0.625 nan 8.150 nan 0.000 0.488 22 Y N 1.116 121.196 120.300 -0.367 0.000 2.447 22 Y HA 0.201 4.752 4.550 0.001 0.000 0.286 22 Y C 2.542 178.049 175.900 -0.654 0.000 1.153 22 Y CA 1.079 58.808 58.100 -0.618 0.000 1.241 22 Y CB -0.667 37.542 38.460 -0.419 0.000 1.284 22 Y HN 0.728 nan 8.280 nan 0.000 0.520 23 G N 0.134 108.863 108.800 -0.118 0.000 2.491 23 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 23 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 23 G C 1.729 176.595 174.900 -0.058 0.000 1.180 23 G CA 2.220 47.325 45.100 0.008 0.000 0.774 23 G HN 0.444 nan 8.290 nan 0.000 0.562 24 T N -1.410 113.056 114.554 -0.146 0.000 2.915 24 T HA 0.017 4.368 4.350 0.001 0.000 0.269 24 T C 1.994 176.570 174.700 -0.206 0.000 1.071 24 T CA 1.571 63.596 62.100 -0.127 0.000 1.132 24 T CB -0.048 68.708 68.868 -0.186 0.000 0.878 24 T HN 0.185 nan 8.240 nan 0.000 0.479 25 E N 0.840 120.794 120.200 -0.410 0.000 2.072 25 E HA 0.063 4.414 4.350 0.001 0.000 0.190 25 E C 1.823 177.993 176.600 -0.717 0.000 0.982 25 E CA 0.834 56.851 56.400 -0.639 0.000 0.803 25 E CB -0.491 28.691 29.700 -0.863 0.000 0.755 25 E HN 0.703 nan 8.360 nan 0.000 0.453 26 F N 0.336 120.064 119.950 -0.370 0.000 2.171 26 F HA -0.136 4.392 4.527 0.001 0.000 0.300 26 F C 2.618 178.426 175.800 0.014 0.000 1.090 26 F CA 0.524 58.406 58.000 -0.197 0.000 1.293 26 F CB -0.231 38.715 39.000 -0.090 0.000 1.013 26 F HN -0.009 nan 8.300 nan 0.000 0.486 27 M N 0.217 119.919 119.600 0.169 0.000 2.117 27 M HA -0.235 4.246 4.480 0.001 0.000 0.262 27 M C 2.256 178.644 176.300 0.147 0.000 1.065 27 M CA 1.689 57.081 55.300 0.154 0.000 1.114 27 M CB -0.302 32.364 32.600 0.109 0.000 1.361 27 M HN -0.006 nan 8.290 nan 0.000 0.408 28 K N 0.059 120.529 120.400 0.116 0.000 2.148 28 K HA -0.137 4.184 4.320 0.001 0.000 0.204 28 K C 1.229 178.036 176.600 0.346 0.000 1.050 28 K CA 1.293 57.689 56.287 0.181 0.000 0.942 28 K CB -0.114 32.471 32.500 0.143 0.000 0.724 28 K HN 0.452 nan 8.250 nan 0.000 0.446 29 Y N -0.502 119.879 120.300 0.135 0.000 2.529 29 Y HA 0.092 4.643 4.550 0.001 0.000 0.290 29 Y C 1.285 177.217 175.900 0.053 0.000 1.177 29 Y CA -0.262 57.929 58.100 0.152 0.000 1.305 29 Y CB 0.622 39.267 38.460 0.308 0.000 1.047 29 Y HN 0.452 nan 8.280 nan 0.000 0.522 30 G N -0.406 108.494 108.800 0.168 0.000 2.176 30 G HA2 -0.307 3.654 3.960 0.001 0.000 0.232 30 G HA3 -0.307 3.654 3.960 0.001 0.000 0.232 30 G C -0.389 174.417 174.900 -0.156 0.000 0.986 30 G CA -0.559 44.516 45.100 -0.042 0.000 0.643 30 G HN 0.387 nan 8.290 nan 0.000 0.522 31 Y N 2.382 122.749 120.300 0.112 0.000 2.556 31 Y HA 0.379 4.930 4.550 0.002 0.000 0.352 31 Y C 1.342 177.275 175.900 0.055 0.000 1.006 31 Y CA -0.188 57.950 58.100 0.063 0.000 1.277 31 Y CB 0.821 39.302 38.460 0.036 0.000 1.136 31 Y HN 0.264 nan 8.280 nan 0.000 0.523 32 D N -0.936 119.538 120.400 0.123 0.000 2.339 32 D HA -0.053 4.588 4.640 0.001 0.000 0.217 32 D C 0.147 176.496 176.300 0.081 0.000 1.050 32 D CA 0.103 54.160 54.000 0.094 0.000 0.856 32 D CB -0.016 40.818 40.800 0.057 0.000 0.922 32 D HN 0.314 nan 8.370 nan 0.000 0.518 33 D N 0.407 120.860 120.400 0.089 0.000 2.361 33 D HA 0.049 4.690 4.640 0.001 0.000 0.239 33 D C 0.208 176.516 176.300 0.014 0.000 1.200 33 D CA -0.392 53.632 54.000 0.041 0.000 0.915 33 D CB 0.908 41.727 40.800 0.032 0.000 1.170 33 D HN -0.081 nan 8.370 nan 0.000 0.444 34 L N 3.416 124.619 121.223 -0.033 0.000 2.540 34 L HA 0.044 4.385 4.340 0.001 0.000 0.276 34 L C -1.185 175.657 176.870 -0.047 0.000 1.212 34 L CA -0.487 54.318 54.840 -0.060 0.000 0.893 34 L CB -0.128 41.840 42.059 -0.151 0.000 1.138 34 L HN 0.357 nan 8.230 nan 0.000 0.491 35 P HA -0.174 nan 4.420 nan 0.000 0.216 35 P C 1.062 178.304 177.300 -0.096 0.000 1.153 35 P CA 1.134 64.238 63.100 0.006 0.000 0.858 35 P CB 0.310 32.183 31.700 0.287 0.000 0.789 36 E N -0.384 119.804 120.200 -0.021 0.000 2.160 36 E HA -0.184 4.167 4.350 0.001 0.000 0.195 36 E C 1.942 178.496 176.600 -0.076 0.000 0.991 36 E CA 0.905 57.285 56.400 -0.032 0.000 0.810 36 E CB -0.804 28.894 29.700 -0.003 0.000 0.742 36 E HN 0.336 nan 8.360 nan 0.000 0.466 37 E N 0.218 120.363 120.200 -0.091 0.000 2.204 37 E HA -0.119 4.232 4.350 0.001 0.000 0.195 37 E C 1.958 178.483 176.600 -0.125 0.000 0.990 37 E CA 0.574 56.922 56.400 -0.087 0.000 0.821 37 E CB -0.072 29.586 29.700 -0.070 0.000 0.750 37 E HN 0.375 nan 8.360 nan 0.000 0.477 38 L N 1.237 122.329 121.223 -0.219 0.000 2.265 38 L HA -0.149 4.192 4.340 0.001 0.000 0.215 38 L C 1.837 178.569 176.870 -0.229 0.000 1.117 38 L CA 0.494 55.147 54.840 -0.310 0.000 0.782 38 L CB -0.492 41.183 42.059 -0.641 0.000 0.914 38 L HN 0.045 nan 8.230 nan 0.000 0.441 39 N N 0.419 119.023 118.700 -0.160 0.000 2.364 39 N HA -0.121 4.620 4.740 0.001 0.000 0.183 39 N C 1.773 177.244 175.510 -0.064 0.000 1.022 39 N CA 1.373 54.370 53.050 -0.088 0.000 0.883 39 N CB 0.090 38.550 38.487 -0.046 0.000 0.965 39 N HN 0.455 nan 8.380 nan 0.000 0.438 40 I N 0.355 120.886 120.570 -0.067 0.000 2.947 40 I HA -0.034 4.137 4.170 0.001 0.000 0.263 40 I C 1.718 177.808 176.117 -0.047 0.000 1.130 40 I CA 0.522 61.795 61.300 -0.044 0.000 1.448 40 I CB 0.180 38.160 38.000 -0.032 0.000 1.222 40 I HN -0.090 nan 8.210 nan 0.000 0.453 41 K N 0.987 121.350 120.400 -0.062 0.000 2.262 41 K HA 0.249 4.570 4.320 0.001 0.000 0.200 41 K C 0.607 177.177 176.600 -0.050 0.000 1.049 41 K CA 0.666 56.927 56.287 -0.043 0.000 0.979 41 K CB 0.440 32.923 32.500 -0.028 0.000 0.773 41 K HN 0.201 nan 8.250 nan 0.000 0.474 42 A N 1.264 124.017 122.820 -0.113 0.000 3.474 42 A HA 0.238 4.559 4.320 0.001 0.000 0.251 42 A C -2.323 175.159 177.584 -0.169 0.000 1.062 42 A CA -0.836 51.116 52.037 -0.141 0.000 0.945 42 A CB 0.378 19.226 19.000 -0.252 0.000 1.296 42 A HN -0.093 nan 8.150 nan 0.000 0.592 43 P HA -0.131 nan 4.420 nan 0.000 0.220 43 P C 0.501 177.779 177.300 -0.037 0.000 1.148 43 P CA 1.168 64.229 63.100 -0.065 0.000 0.803 43 P CB 0.321 32.004 31.700 -0.028 0.000 0.782 44 D N -0.515 119.867 120.400 -0.030 0.000 2.219 44 D HA -0.074 4.567 4.640 0.001 0.000 0.205 44 D C 1.998 178.300 176.300 0.005 0.000 0.970 44 D CA 0.768 54.768 54.000 0.001 0.000 0.851 44 D CB -0.395 40.412 40.800 0.011 0.000 0.943 44 D HN 0.050 nan 8.370 nan 0.000 0.488 45 V N 0.489 120.369 119.914 -0.057 0.000 2.379 45 V HA -0.159 3.962 4.120 0.001 0.000 0.245 45 V C 2.644 178.775 176.094 0.061 0.000 1.044 45 V CA 0.774 63.053 62.300 -0.036 0.000 1.036 45 V CB -0.369 31.270 31.823 -0.306 0.000 0.664 45 V HN 0.041 nan 8.190 nan 0.000 0.453 46 V N 0.062 119.957 119.914 -0.032 0.000 2.295 46 V HA -0.259 3.861 4.120 0.001 0.000 0.246 46 V C 2.419 178.558 176.094 0.076 0.000 1.049 46 V CA 2.124 64.461 62.300 0.061 0.000 1.024 46 V CB -0.715 31.096 31.823 -0.020 0.000 0.648 46 V HN 0.507 nan 8.190 nan 0.000 0.447 47 L N 0.443 121.735 121.223 0.116 0.000 2.042 47 L HA -0.202 4.138 4.340 0.001 0.000 0.210 47 L C 2.476 179.432 176.870 0.144 0.000 1.076 47 L CA 2.230 57.171 54.840 0.170 0.000 0.749 47 L CB -0.786 41.337 42.059 0.106 0.000 0.893 47 L HN 0.270 nan 8.230 nan 0.000 0.432 48 K N -0.945 119.516 120.400 0.101 0.000 2.032 48 K HA -0.162 4.159 4.320 0.001 0.000 0.209 48 K C 1.883 178.520 176.600 0.061 0.000 1.048 48 K CA 2.099 58.435 56.287 0.080 0.000 0.927 48 K CB -0.179 32.374 32.500 0.089 0.000 0.712 48 K HN 0.326 nan 8.250 nan 0.000 0.441 49 V N 1.179 121.134 119.914 0.068 0.000 2.358 49 V HA -0.223 3.897 4.120 0.001 0.000 0.246 49 V C 2.346 178.437 176.094 -0.006 0.000 1.047 49 V CA 1.711 63.966 62.300 -0.075 0.000 1.035 49 V CB -0.715 31.011 31.823 -0.161 0.000 0.658 49 V HN 0.403 nan 8.190 nan 0.000 0.452 50 H N 0.592 119.810 119.070 0.246 0.000 2.319 50 H HA -0.116 4.441 4.556 0.002 0.000 0.299 50 H C 2.582 177.997 175.328 0.145 0.000 1.092 50 H CA 1.911 58.134 56.048 0.291 0.000 1.302 50 H CB -0.224 29.669 29.762 0.218 0.000 1.373 50 H HN 0.363 nan 8.280 nan 0.000 0.497 51 R N 0.504 121.128 120.500 0.207 0.000 2.091 51 R HA -0.123 4.217 4.340 0.001 0.000 0.238 51 R C 2.720 179.035 176.300 0.025 0.000 1.136 51 R CA 1.588 57.747 56.100 0.098 0.000 0.959 51 R CB -0.172 30.168 30.300 0.066 0.000 0.856 51 R HN 0.377 nan 8.270 nan 0.000 0.437 52 S N -0.261 115.403 115.700 -0.059 0.000 2.382 52 S HA -0.187 4.283 4.470 0.001 0.000 0.228 52 S C 1.884 176.367 174.600 -0.195 0.000 1.027 52 S CA 0.993 59.088 58.200 -0.175 0.000 0.991 52 S CB -0.527 62.499 63.200 -0.291 0.000 0.823 52 S HN 0.405 nan 8.310 nan 0.000 0.469 53 Y N 1.159 121.438 120.300 -0.035 0.000 2.263 53 Y HA 0.078 4.628 4.550 0.001 0.000 0.292 53 Y C 2.575 178.461 175.900 -0.023 0.000 1.130 53 Y CA 0.588 58.656 58.100 -0.053 0.000 1.179 53 Y CB -0.156 38.279 38.460 -0.041 0.000 0.998 53 Y HN 0.228 nan 8.280 nan 0.000 0.532 54 I N 0.336 120.998 120.570 0.153 0.000 2.163 54 I HA -0.280 3.891 4.170 0.001 0.000 0.243 54 I C 2.480 178.619 176.117 0.036 0.000 1.085 54 I CA 1.543 62.888 61.300 0.076 0.000 1.347 54 I CB -1.000 37.034 38.000 0.056 0.000 1.044 54 I HN 0.358 nan 8.210 nan 0.000 0.408 55 E N 1.139 121.349 120.200 0.017 0.000 2.153 55 E HA -0.166 4.185 4.350 0.001 0.000 0.194 55 E C 2.043 178.635 176.600 -0.014 0.000 0.988 55 E CA 1.222 57.617 56.400 -0.008 0.000 0.811 55 E CB 0.158 29.843 29.700 -0.025 0.000 0.746 55 E HN 0.342 nan 8.360 nan 0.000 0.466 56 S N -1.141 114.552 115.700 -0.011 0.000 2.522 56 S HA 0.126 4.597 4.470 0.001 0.000 0.227 56 S C 1.274 175.873 174.600 -0.002 0.000 0.986 56 S CA 0.771 58.957 58.200 -0.022 0.000 0.929 56 S CB 0.482 63.660 63.200 -0.035 0.000 0.769 56 S HN 0.545 nan 8.310 nan 0.000 0.529 57 G N 0.744 109.556 108.800 0.021 0.000 2.227 57 G HA2 -0.174 3.786 3.960 0.001 0.000 0.168 57 G HA3 -0.174 3.786 3.960 0.001 0.000 0.168 57 G C 0.027 174.951 174.900 0.040 0.000 1.006 57 G CA -0.246 44.869 45.100 0.025 0.000 0.684 57 G HN 0.384 nan 8.290 nan 0.000 0.489 58 S N 1.242 116.975 115.700 0.054 0.000 2.537 58 S HA 0.292 4.763 4.470 0.001 0.000 0.286 58 S C 0.812 175.405 174.600 -0.011 0.000 1.299 58 S CA 0.132 58.352 58.200 0.033 0.000 1.067 58 S CB 1.101 64.322 63.200 0.036 0.000 0.864 58 S HN 0.297 nan 8.310 nan 0.000 0.494 59 D N 1.155 121.530 120.400 -0.042 0.000 2.333 59 D HA 0.089 4.730 4.640 0.001 0.000 0.208 59 D C 0.032 176.228 176.300 -0.174 0.000 0.984 59 D CA 0.736 54.683 54.000 -0.088 0.000 0.873 59 D CB 0.395 41.145 40.800 -0.082 0.000 0.935 59 D HN 0.245 nan 8.370 nan 0.000 0.521 60 V N 2.021 121.810 119.914 -0.210 0.000 2.760 60 V HA 0.393 4.514 4.120 0.001 0.000 0.309 60 V C -0.141 175.802 176.094 -0.251 0.000 1.077 60 V CA -1.017 61.051 62.300 -0.386 0.000 0.910 60 V CB 2.566 34.011 31.823 -0.629 0.000 1.008 60 V HN -0.040 nan 8.190 nan 0.000 0.424 61 I N 1.766 122.193 120.570 -0.238 0.000 2.740 61 I HA 0.716 4.887 4.170 0.001 0.000 0.303 61 I C -0.958 175.089 176.117 -0.118 0.000 1.044 61 I CA -1.002 60.242 61.300 -0.092 0.000 1.064 61 I CB 2.086 40.083 38.000 -0.006 0.000 1.249 61 I HN 0.367 nan 8.210 nan 0.000 0.433 62 L N 3.223 124.425 121.223 -0.035 0.000 2.307 62 L HA 0.422 4.763 4.340 0.001 0.000 0.282 62 L C 0.701 177.495 176.870 -0.127 0.000 1.051 62 L CA -0.673 54.134 54.840 -0.055 0.000 0.804 62 L CB 1.763 43.796 42.059 -0.043 0.000 1.197 62 L HN 0.788 nan 8.230 nan 0.000 0.431 63 T N -1.263 113.244 114.554 -0.077 0.000 2.900 63 T HA 0.003 4.354 4.350 0.001 0.000 0.307 63 T C 0.422 175.085 174.700 -0.062 0.000 1.065 63 T CA -0.661 61.406 62.100 -0.055 0.000 1.105 63 T CB 0.496 69.348 68.868 -0.027 0.000 0.979 63 T HN 0.518 nan 8.240 nan 0.000 0.544 64 N N 1.566 120.261 118.700 -0.009 0.000 3.178 64 N HA 0.132 4.872 4.740 0.001 0.000 0.300 64 N C 0.636 176.172 175.510 0.043 0.000 1.242 64 N CA -0.132 52.907 53.050 -0.019 0.000 1.192 64 N CB -0.593 37.918 38.487 0.040 0.000 1.463 64 N HN 0.845 nan 8.380 nan 0.000 0.539 65 T N -2.671 111.921 114.554 0.064 0.000 3.332 65 T HA 0.075 4.426 4.350 0.001 0.000 0.304 65 T C 1.130 175.896 174.700 0.110 0.000 0.971 65 T CA -0.523 61.618 62.100 0.069 0.000 0.954 65 T CB -1.121 67.769 68.868 0.036 0.000 1.175 65 T HN 0.200 nan 8.240 nan 0.000 0.519 66 F N 3.237 123.199 119.950 0.020 0.000 2.115 66 F HA 0.056 4.583 4.527 0.001 0.000 0.300 66 F C 2.021 177.860 175.800 0.064 0.000 1.092 66 F CA 2.039 60.066 58.000 0.044 0.000 1.245 66 F CB -0.287 38.737 39.000 0.041 0.000 0.995 66 F HN 0.367 nan 8.300 nan 0.000 0.481 67 G N -0.880 107.949 108.800 0.049 0.000 3.284 67 G HA2 0.321 4.282 3.960 0.001 0.000 0.236 67 G HA3 0.321 4.282 3.960 0.001 0.000 0.236 67 G C 0.396 175.285 174.900 -0.018 0.000 1.158 67 G CA 0.243 45.320 45.100 -0.039 0.000 0.774 67 G HN 0.513 nan 8.290 nan 0.000 0.545 68 A N 1.541 124.360 122.820 -0.001 0.000 3.126 68 A HA 0.586 4.907 4.320 0.001 0.000 0.268 68 A C 0.743 178.338 177.584 0.019 0.000 1.605 68 A CA 0.047 52.091 52.037 0.013 0.000 1.305 68 A CB -0.735 18.277 19.000 0.021 0.000 1.160 68 A HN 0.360 nan 8.150 nan 0.000 0.609 69 T N -3.362 111.194 114.554 0.003 0.000 2.916 69 T HA 0.474 4.825 4.350 0.001 0.000 0.292 69 T C 0.932 175.606 174.700 -0.043 0.000 1.064 69 T CA -0.727 61.362 62.100 -0.017 0.000 1.011 69 T CB 1.522 70.359 68.868 -0.052 0.000 1.152 69 T HN 0.383 nan 8.240 nan 0.000 0.510 70 R N 0.331 120.791 120.500 -0.067 0.000 2.083 70 R HA -0.060 4.281 4.340 0.001 0.000 0.237 70 R C 2.260 178.519 176.300 -0.068 0.000 1.137 70 R CA 1.899 57.963 56.100 -0.061 0.000 0.951 70 R CB -0.512 29.745 30.300 -0.071 0.000 0.851 70 R HN 0.794 nan 8.270 nan 0.000 0.434 71 M N 0.031 119.566 119.600 -0.110 0.000 2.213 71 M HA -0.161 4.319 4.480 0.001 0.000 0.263 71 M C 2.359 178.626 176.300 -0.056 0.000 1.062 71 M CA 1.671 56.911 55.300 -0.100 0.000 1.105 71 M CB -0.083 32.433 32.600 -0.141 0.000 1.385 71 M HN 0.116 nan 8.290 nan 0.000 0.417 72 K N 0.810 121.189 120.400 -0.036 0.000 2.076 72 K HA -0.024 4.297 4.320 0.001 0.000 0.204 72 K C 1.742 178.400 176.600 0.097 0.000 1.051 72 K CA 0.838 57.138 56.287 0.021 0.000 0.949 72 K CB 0.034 32.541 32.500 0.013 0.000 0.726 72 K HN 0.248 nan 8.250 nan 0.000 0.443 73 L N 0.753 122.017 121.223 0.068 0.000 2.131 73 L HA -0.118 4.223 4.340 0.001 0.000 0.210 73 L C 2.648 179.569 176.870 0.084 0.000 1.092 73 L CA 1.002 55.903 54.840 0.102 0.000 0.759 73 L CB -0.375 41.710 42.059 0.043 0.000 0.903 73 L HN 0.240 nan 8.230 nan 0.000 0.435 74 R N 0.990 121.503 120.500 0.021 0.000 2.159 74 R HA -0.179 4.161 4.340 0.001 0.000 0.237 74 R C 1.937 178.216 176.300 -0.035 0.000 1.131 74 R CA 1.307 57.401 56.100 -0.010 0.000 0.982 74 R CB -0.004 30.275 30.300 -0.035 0.000 0.868 74 R HN 0.321 nan 8.270 nan 0.000 0.453 75 K N -0.837 119.522 120.400 -0.069 0.000 2.504 75 K HA -0.066 4.255 4.320 0.001 0.000 0.195 75 K C 0.595 176.976 176.600 -0.365 0.000 1.036 75 K CA 0.628 56.788 56.287 -0.211 0.000 0.984 75 K CB 0.164 32.503 32.500 -0.268 0.000 0.788 75 K HN 0.433 nan 8.250 nan 0.000 0.488 76 H N -0.956 118.111 119.070 -0.005 0.000 2.674 76 H HA 0.128 4.685 4.556 0.001 0.000 0.274 76 H C 0.867 176.194 175.328 -0.001 0.000 1.121 76 H CA 0.495 56.544 56.048 0.002 0.000 1.132 76 H CB 1.210 30.977 29.762 0.008 0.000 1.606 76 H HN 0.346 nan 8.280 nan 0.000 0.558 77 G N 1.761 110.599 108.800 0.064 0.000 2.179 77 G HA2 -0.273 3.687 3.960 0.001 0.000 0.257 77 G HA3 -0.273 3.687 3.960 0.001 0.000 0.257 77 G C 0.704 175.631 174.900 0.044 0.000 1.010 77 G CA 0.505 45.629 45.100 0.040 0.000 0.736 77 G HN 0.436 nan 8.290 nan 0.000 0.513 78 L N 0.196 121.455 121.223 0.060 0.000 2.959 78 L HA 0.225 4.566 4.340 0.001 0.000 0.259 78 L C 2.352 179.236 176.870 0.023 0.000 1.185 78 L CA 0.568 55.432 54.840 0.040 0.000 0.998 78 L CB 0.085 42.172 42.059 0.045 0.000 1.337 78 L HN 0.548 nan 8.230 nan 0.000 0.555 79 E N -0.161 120.049 120.200 0.016 0.000 2.204 79 E HA -0.246 4.105 4.350 0.001 0.000 0.195 79 E C 0.459 177.058 176.600 -0.002 0.000 0.990 79 E CA 1.390 57.791 56.400 0.003 0.000 0.821 79 E CB -0.031 29.663 29.700 -0.009 0.000 0.750 79 E HN 0.373 nan 8.360 nan 0.000 0.477 80 D N 0.815 121.215 120.400 -0.000 0.000 2.371 80 D HA -0.032 4.608 4.640 0.001 0.000 0.221 80 D C 0.968 177.267 176.300 -0.001 0.000 0.986 80 D CA 0.633 54.632 54.000 -0.002 0.000 0.899 80 D CB 0.163 40.962 40.800 -0.001 0.000 0.902 80 D HN 0.114 nan 8.370 nan 0.000 0.530 81 K N 0.248 120.648 120.400 0.001 0.000 2.372 81 K HA 0.115 4.436 4.320 0.001 0.000 0.200 81 K C 1.645 178.243 176.600 -0.002 0.000 1.022 81 K CA -0.288 55.998 56.287 -0.001 0.000 1.125 81 K CB 0.383 32.882 32.500 -0.002 0.000 0.855 81 K HN 0.120 nan 8.250 nan 0.000 0.524 82 L N 2.137 123.359 121.223 -0.001 0.000 1.990 82 L HA -0.233 4.108 4.340 0.001 0.000 0.213 82 L C 1.923 178.793 176.870 0.000 0.000 1.072 82 L CA 2.101 56.941 54.840 -0.001 0.000 0.755 82 L CB -0.447 41.609 42.059 -0.004 0.000 0.889 82 L HN 0.240 nan 8.230 nan 0.000 0.432 83 D N -0.629 119.770 120.400 -0.001 0.000 2.087 83 D HA -0.141 4.499 4.640 0.001 0.000 0.192 83 D C -0.567 175.733 176.300 -0.000 0.000 0.993 83 D CA 2.158 56.158 54.000 0.000 0.000 0.828 83 D CB -0.895 39.905 40.800 -0.000 0.000 0.968 83 D HN 0.332 nan 8.370 nan 0.000 0.448 84 P HA -0.095 nan 4.420 nan 0.000 0.218 84 P C 2.071 179.368 177.300 -0.005 0.000 1.149 84 P CA 0.786 63.884 63.100 -0.004 0.000 0.817 84 P CB -0.067 31.630 31.700 -0.005 0.000 0.785 85 I N -0.625 119.942 120.570 -0.006 0.000 2.163 85 I HA -0.204 3.967 4.170 0.001 0.000 0.243 85 I C 2.488 178.603 176.117 -0.002 0.000 1.085 85 I CA 1.413 62.708 61.300 -0.008 0.000 1.347 85 I CB -0.545 37.450 38.000 -0.009 0.000 1.044 85 I HN -0.177 nan 8.210 nan 0.000 0.408 86 V N 0.528 120.444 119.914 0.002 0.000 2.407 86 V HA -0.176 3.945 4.120 0.001 0.000 0.245 86 V C 2.481 178.578 176.094 0.004 0.000 1.041 86 V CA 1.551 63.855 62.300 0.006 0.000 1.040 86 V CB -0.697 31.131 31.823 0.009 0.000 0.671 86 V HN 0.338 nan 8.190 nan 0.000 0.455 87 R N 0.433 120.934 120.500 0.003 0.000 2.081 87 R HA -0.151 4.190 4.340 0.001 0.000 0.235 87 R C 2.220 178.521 176.300 0.002 0.000 1.131 87 R CA 1.743 57.844 56.100 0.002 0.000 0.960 87 R CB -0.511 29.790 30.300 0.001 0.000 0.856 87 R HN 0.480 nan 8.270 nan 0.000 0.436 88 N N 0.909 119.610 118.700 0.001 0.000 2.120 88 N HA -0.131 4.610 4.740 0.001 0.000 0.188 88 N C 1.681 177.198 175.510 0.012 0.000 1.024 88 N CA 1.544 54.595 53.050 0.003 0.000 0.852 88 N CB -0.431 38.053 38.487 -0.005 0.000 1.003 88 N HN 0.230 nan 8.380 nan 0.000 0.424 89 A N 0.463 123.291 122.820 0.014 0.000 1.883 89 A HA -0.126 4.195 4.320 0.001 0.000 0.217 89 A C 2.425 180.021 177.584 0.020 0.000 1.186 89 A CA 1.641 53.698 52.037 0.032 0.000 0.624 89 A CB -0.865 18.151 19.000 0.026 0.000 0.822 89 A HN 0.120 nan 8.150 nan 0.000 0.444 90 V N -0.189 119.725 119.914 0.001 0.000 2.358 90 V HA -0.249 3.872 4.120 0.001 0.000 0.246 90 V C 2.600 178.682 176.094 -0.021 0.000 1.047 90 V CA 2.169 64.459 62.300 -0.017 0.000 1.035 90 V CB -0.863 30.953 31.823 -0.010 0.000 0.658 90 V HN 0.527 nan 8.190 nan 0.000 0.452 91 R N -0.127 120.369 120.500 -0.006 0.000 2.091 91 R HA -0.116 4.225 4.340 0.001 0.000 0.238 91 R C 2.235 178.535 176.300 0.001 0.000 1.136 91 R CA 1.770 57.868 56.100 -0.004 0.000 0.959 91 R CB -0.473 29.828 30.300 0.002 0.000 0.856 91 R HN 0.440 nan 8.270 nan 0.000 0.437 92 I N 0.474 121.057 120.570 0.020 0.000 2.202 92 I HA -0.245 3.926 4.170 0.001 0.000 0.242 92 I C 2.623 178.755 176.117 0.026 0.000 1.091 92 I CA 1.251 62.585 61.300 0.057 0.000 1.368 92 I CB -0.419 37.648 38.000 0.113 0.000 1.058 92 I HN 0.196 nan 8.210 nan 0.000 0.410 93 A N 0.730 123.501 122.820 -0.082 0.000 1.902 93 A HA -0.253 4.068 4.320 0.001 0.000 0.217 93 A C 2.343 179.808 177.584 -0.198 0.000 1.181 93 A CA 1.896 53.714 52.037 -0.366 0.000 0.623 93 A CB -0.521 18.226 19.000 -0.423 0.000 0.818 93 A HN 0.279 nan 8.150 nan 0.000 0.443 94 R N 0.049 120.487 120.500 -0.103 0.000 2.092 94 R HA -0.062 4.278 4.340 0.001 0.000 0.231 94 R C 2.240 178.514 176.300 -0.043 0.000 1.119 94 R CA 1.866 57.926 56.100 -0.067 0.000 0.970 94 R CB -0.608 29.668 30.300 -0.040 0.000 0.864 94 R HN 0.557 nan 8.270 nan 0.000 0.440 95 R N -0.501 119.985 120.500 -0.023 0.000 2.091 95 R HA -0.080 4.261 4.340 0.001 0.000 0.238 95 R C 1.858 178.160 176.300 0.003 0.000 1.136 95 R CA 1.646 57.745 56.100 -0.002 0.000 0.959 95 R CB -0.338 29.971 30.300 0.016 0.000 0.856 95 R HN 0.311 nan 8.270 nan 0.000 0.437 96 A N 0.083 122.905 122.820 0.003 0.000 1.968 96 A HA 0.055 4.376 4.320 0.001 0.000 0.217 96 A C 2.181 179.765 177.584 -0.001 0.000 1.169 96 A CA 1.243 53.298 52.037 0.029 0.000 0.638 96 A CB -0.374 18.687 19.000 0.103 0.000 0.812 96 A HN 0.499 nan 8.150 nan 0.000 0.446 97 A N -1.390 121.404 122.820 -0.044 0.000 1.970 97 A HA 0.398 4.719 4.320 0.001 0.000 0.216 97 A C 2.112 179.673 177.584 -0.038 0.000 1.170 97 A CA 1.568 53.572 52.037 -0.055 0.000 0.645 97 A CB -1.073 17.871 19.000 -0.095 0.000 0.816 97 A HN 1.836 nan 8.150 nan 0.000 0.447 98 G N -1.345 107.437 108.800 -0.030 0.000 2.602 98 G HA2 -0.319 3.642 3.960 0.001 0.000 0.310 98 G HA3 -0.319 3.642 3.960 0.001 0.000 0.310 98 G C 1.037 175.919 174.900 -0.031 0.000 1.183 98 G CA 1.641 46.727 45.100 -0.024 0.000 0.979 98 G HN 1.367 nan 8.290 nan 0.000 0.545 99 E N 1.002 121.183 120.200 -0.031 0.000 2.478 99 E HA 0.303 4.654 4.350 0.001 0.000 0.194 99 E C 1.297 177.866 176.600 -0.052 0.000 1.045 99 E CA 1.433 57.812 56.400 -0.035 0.000 0.868 99 E CB -0.114 29.569 29.700 -0.028 0.000 0.885 99 E HN 0.555 nan 8.360 nan 0.000 0.505 100 K N -0.226 120.137 120.400 -0.062 0.000 2.180 100 K HA 0.405 4.726 4.320 0.001 0.000 0.251 100 K C 0.387 176.912 176.600 -0.124 0.000 1.014 100 K CA -0.538 55.695 56.287 -0.091 0.000 0.913 100 K CB 0.773 33.222 32.500 -0.085 0.000 1.008 100 K HN 0.256 nan 8.250 nan 0.000 0.490 101 L N 1.068 122.176 121.223 -0.192 0.000 2.397 101 L HA 0.207 4.548 4.340 0.001 0.000 0.271 101 L C -0.053 176.640 176.870 -0.295 0.000 1.148 101 L CA -0.706 53.981 54.840 -0.254 0.000 0.825 101 L CB 0.796 42.604 42.059 -0.418 0.000 1.117 101 L HN 0.086 nan 8.230 nan 0.000 0.456 102 V N 3.768 123.576 119.914 -0.177 0.000 2.444 102 V HA 0.399 4.520 4.120 0.001 0.000 0.294 102 V C -0.344 175.810 176.094 0.100 0.000 1.022 102 V CA -0.329 61.900 62.300 -0.120 0.000 0.850 102 V CB 1.508 33.279 31.823 -0.086 0.000 0.992 102 V HN 0.436 nan 8.190 nan 0.000 0.426 103 F N 2.408 122.306 119.950 -0.087 0.000 2.436 103 F HA 0.568 5.095 4.527 0.001 0.000 0.340 103 F C 1.150 176.891 175.800 -0.097 0.000 1.113 103 F CA -1.017 56.935 58.000 -0.080 0.000 1.022 103 F CB 1.896 40.854 39.000 -0.069 0.000 1.128 103 F HN 0.609 nan 8.300 nan 0.000 0.466 104 G N 2.176 111.018 108.800 0.070 0.000 2.354 104 G HA2 0.089 4.050 3.960 0.001 0.000 0.266 104 G HA3 0.089 4.050 3.960 0.001 0.000 0.266 104 G C -1.072 173.779 174.900 -0.082 0.000 1.242 104 G CA -0.233 44.852 45.100 -0.026 0.000 0.923 104 G HN 0.604 nan 8.290 nan 0.000 0.476 105 D N 1.987 122.366 120.400 -0.034 0.000 2.274 105 D HA 0.419 5.060 4.640 0.001 0.000 0.239 105 D C -0.041 176.261 176.300 0.005 0.000 1.104 105 D CA -0.344 53.652 54.000 -0.007 0.000 0.840 105 D CB 0.670 41.508 40.800 0.064 0.000 1.100 105 D HN 0.218 nan 8.370 nan 0.000 0.477 106 I N 3.179 123.727 120.570 -0.037 0.000 2.478 106 I HA 0.495 4.665 4.170 0.001 0.000 0.287 106 I C 0.824 177.042 176.117 0.168 0.000 1.042 106 I CA -0.921 60.417 61.300 0.063 0.000 1.067 106 I CB 2.171 40.248 38.000 0.129 0.000 1.233 106 I HN 0.378 nan 8.210 nan 0.000 0.431 107 G N 6.009 114.663 108.800 -0.243 0.000 2.552 107 G HA2 0.695 4.656 3.960 0.001 0.000 0.318 107 G HA3 0.695 4.656 3.960 0.001 0.000 0.318 107 G C -2.811 171.807 174.900 -0.471 0.000 1.240 107 G CA -1.352 43.377 45.100 -0.618 0.000 1.002 107 G HN 0.306 nan 8.290 nan 0.000 0.493 108 P HA 0.139 nan 4.420 nan 0.000 0.276 108 P C 0.790 177.912 177.300 -0.297 0.000 1.261 108 P CA 0.069 62.666 63.100 -0.838 0.000 0.800 108 P CB 1.228 32.274 31.700 -1.089 0.000 1.066 109 T N -4.492 109.998 114.554 -0.107 0.000 3.067 109 T HA 0.190 4.540 4.350 0.001 0.000 0.261 109 T C 1.415 176.104 174.700 -0.018 0.000 1.110 109 T CA 0.905 62.990 62.100 -0.026 0.000 1.113 109 T CB -1.092 67.813 68.868 0.063 0.000 0.917 109 T HN 0.702 nan 8.240 nan 0.000 0.499 110 G N 1.072 109.852 108.800 -0.035 0.000 2.179 110 G HA2 -0.197 3.764 3.960 0.001 0.000 0.260 110 G HA3 -0.197 3.764 3.960 0.001 0.000 0.260 110 G C -0.208 174.707 174.900 0.026 0.000 0.977 110 G CA -0.003 45.091 45.100 -0.009 0.000 0.641 110 G HN 0.582 nan 8.290 nan 0.000 0.533 111 E N 0.378 120.630 120.200 0.086 0.000 2.174 111 E HA 0.544 4.895 4.350 0.001 0.000 0.282 111 E C 0.768 177.502 176.600 0.223 0.000 0.992 111 E CA -0.511 55.966 56.400 0.128 0.000 0.803 111 E CB 1.378 31.148 29.700 0.117 0.000 1.090 111 E HN 0.408 nan 8.360 nan 0.000 0.396 112 L N 4.832 126.132 121.223 0.129 0.000 2.395 112 L HA 0.271 4.611 4.340 0.001 0.000 0.269 112 L C -1.883 175.096 176.870 0.182 0.000 1.133 112 L CA -1.821 53.087 54.840 0.114 0.000 0.812 112 L CB 0.457 42.521 42.059 0.008 0.000 1.125 112 L HN 0.188 nan 8.230 nan 0.000 0.452 113 P HA -0.060 nan 4.420 nan 0.000 0.271 113 P C -0.884 176.386 177.300 -0.049 0.000 1.218 113 P CA -0.235 62.977 63.100 0.188 0.000 0.780 113 P CB 0.381 32.127 31.700 0.077 0.000 0.901 114 Y N 5.983 126.232 120.300 -0.084 0.000 2.811 114 Y HA -0.023 4.528 4.550 0.001 0.000 0.334 114 Y C -1.215 174.579 175.900 -0.176 0.000 1.247 114 Y CA -0.687 57.351 58.100 -0.103 0.000 1.526 114 Y CB 0.188 38.618 38.460 -0.051 0.000 1.284 114 Y HN 0.343 nan 8.280 nan 0.000 0.586 115 P HA 0.030 nan 4.420 nan 0.000 0.261 115 P C 0.933 177.963 177.300 -0.450 0.000 1.268 115 P CA 0.572 63.068 63.100 -1.008 0.000 0.833 115 P CB 0.268 31.413 31.700 -0.925 0.000 1.231 116 L N -1.421 119.595 121.223 -0.345 0.000 2.141 116 L HA 0.045 4.386 4.340 0.001 0.000 0.209 116 L C 1.691 178.492 176.870 -0.116 0.000 1.094 116 L CA 1.552 56.273 54.840 -0.198 0.000 0.763 116 L CB -0.895 41.048 42.059 -0.193 0.000 0.908 116 L HN 0.108 nan 8.230 nan 0.000 0.437 117 G N -1.337 107.409 108.800 -0.091 0.000 3.264 117 G HA2 0.291 4.251 3.960 0.001 0.000 0.168 117 G HA3 0.291 4.251 3.960 0.001 0.000 0.168 117 G C 0.274 175.206 174.900 0.054 0.000 1.145 117 G CA 0.539 45.630 45.100 -0.016 0.000 0.855 117 G HN 0.074 nan 8.290 nan 0.000 0.629 118 S N -1.266 114.471 115.700 0.063 0.000 2.666 118 S HA 0.274 4.745 4.470 0.001 0.000 0.239 118 S C 0.200 174.804 174.600 0.006 0.000 1.031 118 S CA 0.072 58.340 58.200 0.112 0.000 1.015 118 S CB 0.401 63.622 63.200 0.036 0.000 0.981 118 S HN 0.381 nan 8.310 nan 0.000 0.547 119 T N 3.365 117.878 114.554 -0.069 0.000 2.771 119 T HA 0.533 4.884 4.350 0.001 0.000 0.291 119 T C -0.162 174.416 174.700 -0.203 0.000 0.954 119 T CA -0.433 61.480 62.100 -0.311 0.000 1.045 119 T CB 1.026 69.433 68.868 -0.768 0.000 0.917 119 T HN 0.274 nan 8.240 nan 0.000 0.484 120 L N 2.549 123.655 121.223 -0.196 0.000 2.421 120 L HA 0.388 4.729 4.340 0.001 0.000 0.263 120 L C 1.596 178.493 176.870 0.045 0.000 1.122 120 L CA -0.738 54.091 54.840 -0.018 0.000 0.804 120 L CB 0.460 42.498 42.059 -0.036 0.000 1.150 120 L HN 0.652 nan 8.230 nan 0.000 0.457 121 F N 1.343 121.377 119.950 0.140 0.000 2.087 121 F HA -0.312 4.215 4.527 0.001 0.000 0.299 121 F C 2.323 178.254 175.800 0.218 0.000 1.100 121 F CA 2.194 60.358 58.000 0.273 0.000 1.226 121 F CB 0.108 39.216 39.000 0.180 0.000 0.983 121 F HN 0.673 nan 8.300 nan 0.000 0.479 122 E N 0.578 120.920 120.200 0.237 0.000 2.153 122 E HA -0.261 4.090 4.350 0.001 0.000 0.194 122 E C 2.103 178.715 176.600 0.020 0.000 0.988 122 E CA 1.691 58.162 56.400 0.118 0.000 0.811 122 E CB -0.442 29.326 29.700 0.112 0.000 0.746 122 E HN 0.690 nan 8.360 nan 0.000 0.466 123 E N -1.087 119.062 120.200 -0.084 0.000 2.072 123 E HA -0.156 4.195 4.350 0.001 0.000 0.191 123 E C 1.783 178.270 176.600 -0.188 0.000 0.985 123 E CA 0.938 57.235 56.400 -0.172 0.000 0.801 123 E CB -0.258 29.265 29.700 -0.295 0.000 0.750 123 E HN 0.395 nan 8.360 nan 0.000 0.452 124 F N -0.332 119.529 119.950 -0.148 0.000 2.102 124 F HA -0.218 4.309 4.527 0.001 0.000 0.298 124 F C 2.371 178.060 175.800 -0.185 0.000 1.105 124 F CA 1.252 59.130 58.000 -0.205 0.000 1.239 124 F CB -0.434 38.533 39.000 -0.054 0.000 0.991 124 F HN 0.167 nan 8.300 nan 0.000 0.474 125 Y N 1.278 121.503 120.300 -0.126 0.000 2.097 125 Y HA -0.304 4.246 4.550 0.001 0.000 0.282 125 Y C 2.387 178.277 175.900 -0.016 0.000 1.152 125 Y CA 1.938 59.969 58.100 -0.114 0.000 1.136 125 Y CB -0.446 37.859 38.460 -0.258 0.000 0.975 125 Y HN -0.068 nan 8.280 nan 0.000 0.498 126 E N 0.471 120.730 120.200 0.097 0.000 2.118 126 E HA -0.220 4.131 4.350 0.001 0.000 0.195 126 E C 1.925 178.458 176.600 -0.111 0.000 0.992 126 E CA 1.449 57.853 56.400 0.007 0.000 0.804 126 E CB -0.555 29.171 29.700 0.043 0.000 0.741 126 E HN 0.598 nan 8.360 nan 0.000 0.458 127 N N -0.770 117.814 118.700 -0.192 0.000 2.058 127 N HA -0.140 4.601 4.740 0.001 0.000 0.191 127 N C 1.533 176.859 175.510 -0.306 0.000 1.037 127 N CA 1.572 54.435 53.050 -0.311 0.000 0.848 127 N CB -0.334 37.850 38.487 -0.506 0.000 1.021 127 N HN 0.155 nan 8.380 nan 0.000 0.422 128 F N 0.252 120.186 119.950 -0.027 0.000 2.186 128 F HA 0.067 4.595 4.527 0.001 0.000 0.299 128 F C 2.642 178.416 175.800 -0.044 0.000 1.090 128 F CA 0.597 58.599 58.000 0.004 0.000 1.307 128 F CB -0.260 38.733 39.000 -0.012 0.000 1.019 128 F HN 0.035 nan 8.300 nan 0.000 0.489 129 R N 0.998 121.479 120.500 -0.032 0.000 2.096 129 R HA -0.246 4.094 4.340 0.001 0.000 0.240 129 R C 2.194 178.483 176.300 -0.017 0.000 1.139 129 R CA 2.079 58.118 56.100 -0.101 0.000 0.952 129 R CB -0.422 29.718 30.300 -0.267 0.000 0.854 129 R HN 0.374 nan 8.270 nan 0.000 0.436 130 E N -0.832 119.356 120.200 -0.021 0.000 2.058 130 E HA -0.177 4.174 4.350 0.001 0.000 0.194 130 E C 1.528 178.139 176.600 0.019 0.000 0.997 130 E CA 1.992 58.389 56.400 -0.005 0.000 0.801 130 E CB -0.006 29.681 29.700 -0.022 0.000 0.746 130 E HN 0.358 nan 8.360 nan 0.000 0.450 131 T N 0.315 114.896 114.554 0.045 0.000 2.777 131 T HA -0.114 4.236 4.350 0.001 0.000 0.266 131 T C 1.917 176.652 174.700 0.059 0.000 1.040 131 T CA 1.232 63.370 62.100 0.063 0.000 1.141 131 T CB -0.158 68.775 68.868 0.107 0.000 0.868 131 T HN 0.029 nan 8.240 nan 0.000 0.444 132 V N 1.608 121.572 119.914 0.083 0.000 2.332 132 V HA -0.209 3.912 4.120 0.001 0.000 0.248 132 V C 2.461 178.570 176.094 0.026 0.000 1.055 132 V CA 1.735 64.065 62.300 0.050 0.000 1.038 132 V CB -0.667 31.203 31.823 0.078 0.000 0.651 132 V HN 0.554 nan 8.190 nan 0.000 0.450 133 E N 0.043 120.257 120.200 0.025 0.000 2.070 133 E HA -0.245 4.106 4.350 0.001 0.000 0.197 133 E C 2.133 178.742 176.600 0.014 0.000 1.004 133 E CA 1.873 58.284 56.400 0.018 0.000 0.805 133 E CB -0.293 29.416 29.700 0.016 0.000 0.744 133 E HN 0.580 nan 8.360 nan 0.000 0.451 134 I N 0.497 121.075 120.570 0.014 0.000 2.226 134 I HA -0.297 3.874 4.170 0.001 0.000 0.245 134 I C 2.506 178.628 176.117 0.008 0.000 1.100 134 I CA 1.109 62.415 61.300 0.010 0.000 1.374 134 I CB -0.234 37.772 38.000 0.010 0.000 1.057 134 I HN 0.145 nan 8.210 nan 0.000 0.413 135 M N -0.136 119.468 119.600 0.006 0.000 2.117 135 M HA -0.177 4.304 4.480 0.001 0.000 0.262 135 M C 2.404 178.705 176.300 0.001 0.000 1.065 135 M CA 1.529 56.828 55.300 -0.001 0.000 1.114 135 M CB -0.414 32.178 32.600 -0.014 0.000 1.361 135 M HN 0.087 nan 8.290 nan 0.000 0.408 136 V N 0.466 120.382 119.914 0.003 0.000 2.343 136 V HA -0.250 3.871 4.120 0.001 0.000 0.247 136 V C 2.026 178.126 176.094 0.010 0.000 1.051 136 V CA 1.938 64.243 62.300 0.008 0.000 1.036 136 V CB -0.782 31.047 31.823 0.011 0.000 0.654 136 V HN 0.478 nan 8.190 nan 0.000 0.451 137 E N -0.137 120.069 120.200 0.010 0.000 2.097 137 E HA -0.233 4.117 4.350 0.001 0.000 0.196 137 E C 2.119 178.723 176.600 0.007 0.000 1.000 137 E CA 1.378 57.784 56.400 0.009 0.000 0.804 137 E CB -0.125 29.581 29.700 0.009 0.000 0.740 137 E HN 0.556 nan 8.360 nan 0.000 0.454 138 E N -0.687 119.516 120.200 0.005 0.000 2.481 138 E HA 0.016 4.367 4.350 0.001 0.000 0.195 138 E C 0.766 177.368 176.600 0.003 0.000 1.047 138 E CA 0.683 57.084 56.400 0.003 0.000 0.867 138 E CB 0.800 30.500 29.700 0.001 0.000 0.858 138 E HN 0.359 nan 8.360 nan 0.000 0.513 139 G N 1.621 110.425 108.800 0.006 0.000 2.392 139 G HA2 -0.227 3.734 3.960 0.001 0.000 0.215 139 G HA3 -0.227 3.734 3.960 0.001 0.000 0.215 139 G C 0.373 175.281 174.900 0.014 0.000 1.097 139 G CA 0.164 45.269 45.100 0.009 0.000 0.840 139 G HN 0.200 nan 8.290 nan 0.000 0.492 140 V N -2.486 117.439 119.914 0.019 0.000 3.051 140 V HA 0.569 4.689 4.120 0.001 0.000 0.306 140 V C 0.958 177.094 176.094 0.069 0.000 1.083 140 V CA 0.271 62.596 62.300 0.040 0.000 1.104 140 V CB 1.324 33.169 31.823 0.036 0.000 1.027 140 V HN 0.139 nan 8.190 nan 0.000 0.483 141 D N 1.964 122.444 120.400 0.134 0.000 2.328 141 D HA 0.378 5.019 4.640 0.001 0.000 0.221 141 D C 0.667 177.109 176.300 0.236 0.000 1.072 141 D CA 1.304 55.413 54.000 0.181 0.000 0.850 141 D CB 0.759 41.663 40.800 0.173 0.000 0.922 141 D HN 1.072 nan 8.370 nan 0.000 0.516 142 G N 0.123 108.996 108.800 0.122 0.000 2.355 142 G HA2 0.340 4.301 3.960 0.001 0.000 0.296 142 G HA3 0.340 4.301 3.960 0.001 0.000 0.296 142 G C -1.784 172.961 174.900 -0.258 0.000 1.507 142 G CA -0.764 44.199 45.100 -0.228 0.000 0.823 142 G HN -0.034 nan 8.290 nan 0.000 0.569 143 I N 1.050 121.399 120.570 -0.369 0.000 2.498 143 I HA 0.550 4.721 4.170 0.001 0.000 0.290 143 I C -0.660 175.134 176.117 -0.538 0.000 1.032 143 I CA -0.700 60.353 61.300 -0.412 0.000 1.073 143 I CB 1.810 39.565 38.000 -0.408 0.000 1.251 143 I HN 0.568 nan 8.210 nan 0.000 0.426 144 I N 5.754 126.012 120.570 -0.520 0.000 2.436 144 I HA 0.427 4.598 4.170 0.001 0.000 0.289 144 I C -1.404 174.390 176.117 -0.538 0.000 1.010 144 I CA -0.509 60.516 61.300 -0.458 0.000 1.098 144 I CB 1.658 39.510 38.000 -0.247 0.000 1.266 144 I HN 0.319 nan 8.210 nan 0.000 0.434 145 F N 6.622 126.417 119.950 -0.258 0.000 2.335 145 F HA 0.385 4.912 4.527 0.001 0.000 0.365 145 F C 0.481 176.217 175.800 -0.106 0.000 1.122 145 F CA -0.431 57.412 58.000 -0.262 0.000 1.151 145 F CB 0.747 39.291 39.000 -0.759 0.000 1.282 145 F HN 0.399 nan 8.300 nan 0.000 0.513 146 E N 1.161 121.532 120.200 0.286 0.000 2.277 146 E HA 0.288 4.639 4.350 0.001 0.000 0.274 146 E C 0.193 177.125 176.600 0.553 0.000 1.022 146 E CA -0.258 56.355 56.400 0.354 0.000 0.853 146 E CB 1.300 31.224 29.700 0.373 0.000 1.086 146 E HN 0.690 nan 8.360 nan 0.000 0.397 147 T N 0.616 115.412 114.554 0.405 0.000 4.458 147 T HA -0.217 4.133 4.350 0.001 0.000 0.317 147 T C -0.127 174.657 174.700 0.140 0.000 0.916 147 T CA 0.449 62.706 62.100 0.262 0.000 2.068 147 T CB -1.820 67.266 68.868 0.363 0.000 1.908 147 T HN 0.306 nan 8.240 nan 0.000 0.934 148 F N 1.210 121.106 119.950 -0.090 0.000 2.459 148 F HA 0.482 5.010 4.527 0.001 0.000 0.346 148 F C 1.593 177.234 175.800 -0.266 0.000 1.128 148 F CA -0.249 57.638 58.000 -0.189 0.000 1.268 148 F CB 1.266 40.102 39.000 -0.273 0.000 1.161 148 F HN 0.023 nan 8.300 nan 0.000 0.583 149 S N -0.059 115.569 115.700 -0.120 0.000 2.578 149 S HA 0.064 4.535 4.470 0.001 0.000 0.228 149 S C -0.650 173.892 174.600 -0.097 0.000 1.022 149 S CA -0.174 57.937 58.200 -0.148 0.000 0.967 149 S CB -0.009 63.123 63.200 -0.113 0.000 0.914 149 S HN 0.708 nan 8.310 nan 0.000 0.515 150 D N 0.381 120.754 120.400 -0.045 0.000 2.896 150 D HA 0.332 4.973 4.640 0.001 0.000 0.241 150 D C 0.990 177.334 176.300 0.074 0.000 1.188 150 D CA -0.576 53.441 54.000 0.029 0.000 0.879 150 D CB 1.075 41.898 40.800 0.038 0.000 1.553 150 D HN 0.105 nan 8.370 nan 0.000 0.515 151 I N 1.348 122.000 120.570 0.137 0.000 2.546 151 I HA 0.039 4.209 4.170 0.001 0.000 0.255 151 I C 1.492 177.779 176.117 0.284 0.000 1.163 151 I CA 0.288 61.750 61.300 0.271 0.000 1.457 151 I CB -0.169 38.053 38.000 0.370 0.000 1.092 151 I HN 0.343 nan 8.210 nan 0.000 0.434 152 L N 1.614 122.970 121.223 0.222 0.000 2.027 152 L HA -0.146 4.195 4.340 0.001 0.000 0.206 152 L C 2.603 179.563 176.870 0.149 0.000 1.074 152 L CA 1.956 56.952 54.840 0.259 0.000 0.745 152 L CB -0.812 41.463 42.059 0.361 0.000 0.898 152 L HN 0.380 nan 8.230 nan 0.000 0.433 153 E N -0.884 119.251 120.200 -0.107 0.000 2.077 153 E HA -0.269 4.082 4.350 0.001 0.000 0.193 153 E C 2.196 178.737 176.600 -0.099 0.000 0.989 153 E CA 1.471 57.623 56.400 -0.414 0.000 0.800 153 E CB -0.193 29.122 29.700 -0.642 0.000 0.746 153 E HN 0.406 nan 8.360 nan 0.000 0.452 154 L N 1.591 122.803 121.223 -0.019 0.000 2.056 154 L HA -0.146 4.195 4.340 0.001 0.000 0.207 154 L C 2.315 179.111 176.870 -0.124 0.000 1.078 154 L CA 1.893 56.503 54.840 -0.382 0.000 0.749 154 L CB -0.462 41.322 42.059 -0.458 0.000 0.901 154 L HN -0.009 nan 8.230 nan 0.000 0.433 155 K N -0.669 119.904 120.400 0.288 0.000 2.063 155 K HA -0.202 4.119 4.320 0.001 0.000 0.208 155 K C 2.001 178.756 176.600 0.259 0.000 1.048 155 K CA 1.461 57.941 56.287 0.322 0.000 0.928 155 K CB -0.268 32.404 32.500 0.287 0.000 0.713 155 K HN 0.444 nan 8.250 nan 0.000 0.442 156 A N 0.980 123.918 122.820 0.197 0.000 1.908 156 A HA -0.145 4.176 4.320 0.001 0.000 0.218 156 A C 2.321 179.888 177.584 -0.028 0.000 1.181 156 A CA 2.004 54.038 52.037 -0.005 0.000 0.627 156 A CB -0.849 18.006 19.000 -0.242 0.000 0.818 156 A HN 0.509 nan 8.150 nan 0.000 0.445 157 A N -0.057 122.518 122.820 -0.409 0.000 1.877 157 A HA -0.021 4.299 4.320 0.001 0.000 0.216 157 A C 2.366 179.506 177.584 -0.740 0.000 1.186 157 A CA 2.459 53.851 52.037 -1.076 0.000 0.620 157 A CB -1.341 16.140 19.000 -2.532 0.000 0.822 157 A HN 1.147 nan 8.150 nan 0.000 0.443 158 V N -1.722 117.879 119.914 -0.521 0.000 2.358 158 V HA -0.191 3.930 4.120 0.001 0.000 0.246 158 V C 2.318 178.451 176.094 0.066 0.000 1.047 158 V CA 1.927 64.162 62.300 -0.108 0.000 1.035 158 V CB -1.100 30.745 31.823 0.036 0.000 0.658 158 V HN 0.443 nan 8.190 nan 0.000 0.452 159 L N 0.679 121.995 121.223 0.155 0.000 2.093 159 L HA -0.019 4.322 4.340 0.001 0.000 0.208 159 L C 3.065 180.109 176.870 0.291 0.000 1.085 159 L CA 1.523 56.543 54.840 0.299 0.000 0.755 159 L CB -0.934 41.437 42.059 0.520 0.000 0.904 159 L HN 0.423 nan 8.230 nan 0.000 0.435 160 A N 0.298 123.175 122.820 0.095 0.000 1.883 160 A HA -0.201 4.120 4.320 0.001 0.000 0.217 160 A C 2.554 180.122 177.584 -0.027 0.000 1.186 160 A CA 1.873 53.758 52.037 -0.254 0.000 0.624 160 A CB -0.739 18.003 19.000 -0.430 0.000 0.822 160 A HN 0.396 nan 8.150 nan 0.000 0.444 161 A N -0.757 122.112 122.820 0.081 0.000 1.902 161 A HA -0.152 4.169 4.320 0.001 0.000 0.217 161 A C 2.197 179.830 177.584 0.081 0.000 1.181 161 A CA 2.087 54.199 52.037 0.126 0.000 0.623 161 A CB -0.408 18.737 19.000 0.243 0.000 0.818 161 A HN 0.379 nan 8.150 nan 0.000 0.443 162 R N -0.054 120.500 120.500 0.090 0.000 2.148 162 R HA -0.054 4.286 4.340 0.001 0.000 0.223 162 R C 1.897 178.244 176.300 0.079 0.000 1.088 162 R CA 1.575 57.718 56.100 0.071 0.000 0.985 162 R CB -0.509 29.830 30.300 0.066 0.000 0.880 162 R HN 0.578 nan 8.270 nan 0.000 0.451 163 E N -0.529 119.741 120.200 0.117 0.000 2.110 163 E HA -0.088 4.263 4.350 0.001 0.000 0.193 163 E C 1.640 178.292 176.600 0.086 0.000 0.988 163 E CA 1.337 57.816 56.400 0.132 0.000 0.804 163 E CB -0.101 29.741 29.700 0.236 0.000 0.745 163 E HN 0.133 nan 8.360 nan 0.000 0.458 164 V N -0.693 119.258 119.914 0.061 0.000 2.323 164 V HA -0.027 4.093 4.120 0.001 0.000 0.244 164 V C 1.161 177.279 176.094 0.039 0.000 1.041 164 V CA 1.402 63.729 62.300 0.044 0.000 1.025 164 V CB -0.148 31.694 31.823 0.032 0.000 0.656 164 V HN 0.234 nan 8.190 nan 0.000 0.451 165 S N -1.599 114.123 115.700 0.038 0.000 2.668 165 S HA 0.497 4.968 4.470 0.001 0.000 0.277 165 S C 0.132 174.749 174.600 0.029 0.000 1.170 165 S CA -0.740 57.478 58.200 0.031 0.000 0.994 165 S CB 1.558 64.773 63.200 0.025 0.000 1.051 165 S HN 0.184 nan 8.310 nan 0.000 0.484 166 R N 2.093 122.609 120.500 0.027 0.000 2.299 166 R HA 0.260 4.600 4.340 0.001 0.000 0.197 166 R C 0.612 176.926 176.300 0.024 0.000 0.971 166 R CA 0.781 56.895 56.100 0.022 0.000 1.030 166 R CB 0.022 30.333 30.300 0.019 0.000 0.932 166 R HN 0.554 nan 8.270 nan 0.000 0.477 167 D N -1.085 119.333 120.400 0.030 0.000 2.355 167 D HA 0.013 4.653 4.640 0.001 0.000 0.206 167 D C -0.019 176.315 176.300 0.056 0.000 1.010 167 D CA 0.186 54.211 54.000 0.043 0.000 0.875 167 D CB 0.343 41.167 40.800 0.041 0.000 0.966 167 D HN -0.076 nan 8.370 nan 0.000 0.512 168 V N 1.500 121.437 119.914 0.039 0.000 2.637 168 V HA 0.052 4.173 4.120 0.001 0.000 0.296 168 V C -0.323 175.798 176.094 0.046 0.000 1.046 168 V CA -0.534 61.792 62.300 0.042 0.000 1.066 168 V CB 0.453 32.279 31.823 0.006 0.000 0.968 168 V HN -0.079 nan 8.190 nan 0.000 0.483 169 F N 7.275 127.169 119.950 -0.093 0.000 2.541 169 F HA 0.367 4.895 4.527 0.001 0.000 0.378 169 F C -0.042 175.617 175.800 -0.235 0.000 1.068 169 F CA 0.149 58.067 58.000 -0.136 0.000 1.199 169 F CB 0.270 39.169 39.000 -0.168 0.000 1.091 169 F HN 0.342 nan 8.300 nan 0.000 0.555 170 L N 8.202 129.126 121.223 -0.499 0.000 2.356 170 L HA 0.505 4.846 4.340 0.001 0.000 0.277 170 L C -0.716 175.937 176.870 -0.362 0.000 0.996 170 L CA -0.732 53.913 54.840 -0.326 0.000 0.822 170 L CB 1.828 43.792 42.059 -0.159 0.000 1.256 170 L HN 0.514 nan 8.230 nan 0.000 0.413 171 I N 2.775 123.197 120.570 -0.247 0.000 2.433 171 I HA 0.567 4.738 4.170 0.001 0.000 0.292 171 I C -0.061 176.042 176.117 -0.025 0.000 1.001 171 I CA -0.491 60.742 61.300 -0.110 0.000 1.119 171 I CB 2.159 40.113 38.000 -0.076 0.000 1.289 171 I HN 0.596 nan 8.210 nan 0.000 0.438 172 A N 5.932 128.806 122.820 0.090 0.000 2.304 172 A HA 0.626 4.947 4.320 0.001 0.000 0.314 172 A C -0.978 176.805 177.584 0.333 0.000 1.187 172 A CA -0.359 51.732 52.037 0.091 0.000 0.810 172 A CB 0.383 19.377 19.000 -0.010 0.000 1.183 172 A HN 0.824 nan 8.150 nan 0.000 0.487 173 H N 1.669 120.745 119.070 0.010 0.000 2.569 173 H HA 0.571 5.128 4.556 0.001 0.000 0.357 173 H C -0.492 174.658 175.328 -0.296 0.000 1.153 173 H CA -0.810 55.247 56.048 0.016 0.000 1.193 173 H CB 1.934 31.744 29.762 0.078 0.000 1.602 173 H HN 0.615 nan 8.280 nan 0.000 0.523 174 M N 1.044 120.353 119.600 -0.485 0.000 2.644 174 M HA 0.247 4.728 4.480 0.001 0.000 0.316 174 M C -0.078 175.920 176.300 -0.504 0.000 1.200 174 M CA -0.640 54.240 55.300 -0.699 0.000 0.944 174 M CB 2.449 34.221 32.600 -1.380 0.000 1.691 174 M HN 0.428 nan 8.290 nan 0.000 0.471 175 T N 1.152 115.404 114.554 -0.504 0.000 2.823 175 T HA 0.708 5.059 4.350 0.001 0.000 0.279 175 T C -1.470 172.900 174.700 -0.551 0.000 0.998 175 T CA -0.336 61.574 62.100 -0.317 0.000 0.994 175 T CB 0.439 69.250 68.868 -0.096 0.000 0.960 175 T HN 0.348 nan 8.240 nan 0.000 0.448 176 F N 3.149 123.094 119.950 -0.009 0.000 2.522 176 F HA 0.408 4.936 4.527 0.001 0.000 0.324 176 F C 0.696 176.506 175.800 0.017 0.000 1.077 176 F CA -1.020 56.981 58.000 0.002 0.000 0.944 176 F CB 1.465 40.475 39.000 0.017 0.000 1.175 176 F HN 0.601 nan 8.300 nan 0.000 0.468 177 D N 0.242 120.755 120.400 0.190 0.000 2.414 177 D HA 0.031 4.672 4.640 0.001 0.000 0.259 177 D C 0.973 177.347 176.300 0.124 0.000 1.269 177 D CA -0.335 53.737 54.000 0.121 0.000 1.028 177 D CB 0.153 41.003 40.800 0.084 0.000 1.093 177 D HN 0.769 nan 8.370 nan 0.000 0.545 178 E N -0.511 119.739 120.200 0.083 0.000 2.265 178 E HA -0.206 4.144 4.350 0.001 0.000 0.196 178 E C 0.938 177.574 176.600 0.060 0.000 0.996 178 E CA 0.775 57.215 56.400 0.066 0.000 0.832 178 E CB -0.334 29.395 29.700 0.049 0.000 0.756 178 E HN 0.398 nan 8.360 nan 0.000 0.491 179 K N 0.425 120.866 120.400 0.067 0.000 2.458 179 K HA 0.105 4.425 4.320 0.001 0.000 0.194 179 K C 0.745 177.381 176.600 0.061 0.000 1.024 179 K CA 0.434 56.755 56.287 0.056 0.000 1.108 179 K CB 0.471 33.003 32.500 0.053 0.000 0.846 179 K HN 0.320 nan 8.250 nan 0.000 0.518 180 G N 2.674 111.524 108.800 0.083 0.000 2.246 180 G HA2 -0.248 3.713 3.960 0.001 0.000 0.273 180 G HA3 -0.248 3.713 3.960 0.001 0.000 0.273 180 G C -0.419 174.575 174.900 0.157 0.000 1.055 180 G CA -0.016 45.111 45.100 0.045 0.000 0.851 180 G HN 0.163 nan 8.290 nan 0.000 0.500 181 R N -0.100 120.575 120.500 0.290 0.000 2.686 181 R HA 0.673 5.014 4.340 0.001 0.000 0.283 181 R C 0.527 176.990 176.300 0.272 0.000 0.978 181 R CA -0.063 56.226 56.100 0.314 0.000 0.897 181 R CB 1.569 31.960 30.300 0.152 0.000 1.192 181 R HN 0.619 nan 8.270 nan 0.000 0.457 182 S N 0.821 116.609 115.700 0.147 0.000 2.634 182 S HA 0.091 4.562 4.470 0.001 0.000 0.261 182 S C 1.280 175.871 174.600 -0.015 0.000 1.271 182 S CA -0.629 57.505 58.200 -0.109 0.000 0.985 182 S CB 0.667 63.718 63.200 -0.248 0.000 0.968 182 S HN 0.574 nan 8.310 nan 0.000 0.568 183 L N 1.227 122.426 121.223 -0.040 0.000 2.079 183 L HA -0.030 4.311 4.340 0.001 0.000 0.210 183 L C 2.351 179.243 176.870 0.036 0.000 1.081 183 L CA 2.617 57.457 54.840 0.001 0.000 0.752 183 L CB -1.153 40.899 42.059 -0.013 0.000 0.896 183 L HN 1.047 nan 8.230 nan 0.000 0.433 184 T N -3.966 110.620 114.554 0.053 0.000 3.186 184 T HA 0.489 4.839 4.350 0.001 0.000 0.257 184 T C 1.142 175.891 174.700 0.082 0.000 1.029 184 T CA 0.118 62.285 62.100 0.111 0.000 0.916 184 T CB 0.027 69.031 68.868 0.226 0.000 1.041 184 T HN 0.584 nan 8.240 nan 0.000 0.562 185 G N 0.783 109.622 108.800 0.066 0.000 2.163 185 G HA2 -0.190 3.771 3.960 0.001 0.000 0.213 185 G HA3 -0.190 3.771 3.960 0.001 0.000 0.213 185 G C 0.041 174.993 174.900 0.086 0.000 0.991 185 G CA -0.214 44.926 45.100 0.068 0.000 0.653 185 G HN 0.643 nan 8.290 nan 0.000 0.518 186 T N 2.149 116.769 114.554 0.110 0.000 2.794 186 T HA 0.498 4.849 4.350 0.001 0.000 0.296 186 T C 0.287 175.172 174.700 0.309 0.000 0.949 186 T CA 0.476 62.679 62.100 0.171 0.000 1.101 186 T CB 1.534 70.503 68.868 0.169 0.000 0.905 186 T HN 0.573 nan 8.240 nan 0.000 0.516 187 D N 3.011 123.548 120.400 0.228 0.000 2.387 187 D HA 0.327 4.968 4.640 0.001 0.000 0.255 187 D C -2.041 174.337 176.300 0.131 0.000 1.081 187 D CA -2.516 51.579 54.000 0.158 0.000 0.994 187 D CB 0.397 41.218 40.800 0.035 0.000 1.127 187 D HN 0.076 nan 8.370 nan 0.000 0.513 188 P HA -0.076 nan 4.420 nan 0.000 0.216 188 P C 1.149 178.465 177.300 0.027 0.000 1.150 188 P CA 2.319 65.340 63.100 -0.131 0.000 0.837 188 P CB -0.034 31.456 31.700 -0.350 0.000 0.786 189 A N -0.302 122.462 122.820 -0.094 0.000 1.898 189 A HA -0.229 4.092 4.320 0.001 0.000 0.216 189 A C 2.354 179.822 177.584 -0.193 0.000 1.181 189 A CA 1.894 53.745 52.037 -0.311 0.000 0.620 189 A CB -1.643 16.954 19.000 -0.670 0.000 0.819 189 A HN 0.136 nan 8.150 nan 0.000 0.442 190 N N -0.434 118.238 118.700 -0.047 0.000 2.043 190 N HA -0.190 4.551 4.740 0.001 0.000 0.193 190 N C 1.527 177.158 175.510 0.202 0.000 1.037 190 N CA 1.871 54.951 53.050 0.050 0.000 0.851 190 N CB -0.596 37.947 38.487 0.093 0.000 1.027 190 N HN 0.370 nan 8.380 nan 0.000 0.422 191 F N 1.539 121.581 119.950 0.153 0.000 2.065 191 F HA -0.130 4.397 4.527 0.001 0.000 0.298 191 F C 2.200 178.156 175.800 0.261 0.000 1.112 191 F CA 1.819 59.981 58.000 0.270 0.000 1.212 191 F CB -1.124 38.059 39.000 0.304 0.000 0.975 191 F HN 0.130 nan 8.300 nan 0.000 0.476 192 A N 0.779 123.531 122.820 -0.114 0.000 1.858 192 A HA -0.156 4.165 4.320 0.001 0.000 0.216 192 A C 2.388 179.913 177.584 -0.098 0.000 1.190 192 A CA 2.142 54.038 52.037 -0.234 0.000 0.617 192 A CB -1.327 17.622 19.000 -0.085 0.000 0.827 192 A HN 0.486 nan 8.150 nan 0.000 0.443 193 I N -0.402 120.134 120.570 -0.056 0.000 2.286 193 I HA -0.213 3.957 4.170 0.001 0.000 0.248 193 I C 2.533 178.610 176.117 -0.066 0.000 1.115 193 I CA 1.715 62.977 61.300 -0.064 0.000 1.392 193 I CB -0.476 37.465 38.000 -0.099 0.000 1.065 193 I HN 0.257 nan 8.210 nan 0.000 0.418 194 T N 0.238 114.781 114.554 -0.019 0.000 2.777 194 T HA -0.096 4.255 4.350 0.001 0.000 0.266 194 T C 1.486 176.030 174.700 -0.260 0.000 1.040 194 T CA 1.553 63.587 62.100 -0.111 0.000 1.141 194 T CB -0.228 68.608 68.868 -0.053 0.000 0.868 194 T HN 0.172 nan 8.240 nan 0.000 0.444 195 F N 0.679 120.584 119.950 -0.074 0.000 2.656 195 F HA 0.213 4.741 4.527 0.001 0.000 0.291 195 F C 2.013 177.737 175.800 -0.128 0.000 1.122 195 F CA -0.157 57.791 58.000 -0.087 0.000 1.427 195 F CB -0.188 38.755 39.000 -0.095 0.000 1.125 195 F HN 0.084 nan 8.300 nan 0.000 0.583 196 D N 1.132 121.518 120.400 -0.023 0.000 2.133 196 D HA -0.257 4.384 4.640 0.001 0.000 0.195 196 D C 1.904 178.172 176.300 -0.053 0.000 0.997 196 D CA 1.840 55.804 54.000 -0.060 0.000 0.840 196 D CB -0.107 40.647 40.800 -0.076 0.000 0.947 196 D HN 0.537 nan 8.370 nan 0.000 0.452 197 E N -0.315 119.846 120.200 -0.065 0.000 2.481 197 E HA 0.014 4.365 4.350 0.001 0.000 0.195 197 E C 0.571 177.143 176.600 -0.046 0.000 1.047 197 E CA -0.098 56.265 56.400 -0.062 0.000 0.867 197 E CB -0.107 29.545 29.700 -0.080 0.000 0.858 197 E HN 0.333 nan 8.360 nan 0.000 0.513 198 L N 1.465 122.661 121.223 -0.044 0.000 2.466 198 L HA 0.124 4.465 4.340 0.001 0.000 0.257 198 L C 0.587 177.452 176.870 -0.009 0.000 1.189 198 L CA -0.496 54.330 54.840 -0.023 0.000 0.813 198 L CB 0.375 42.430 42.059 -0.006 0.000 1.118 198 L HN -0.043 nan 8.230 nan 0.000 0.471 199 D N 1.615 122.010 120.400 -0.008 0.000 3.032 199 D HA 0.186 4.827 4.640 0.001 0.000 0.241 199 D C -0.032 176.252 176.300 -0.026 0.000 1.196 199 D CA -0.112 53.876 54.000 -0.019 0.000 0.927 199 D CB -0.476 40.312 40.800 -0.020 0.000 1.129 199 D HN 0.324 nan 8.370 nan 0.000 0.458 200 I N -3.457 117.097 120.570 -0.027 0.000 2.793 200 I HA 0.430 4.601 4.170 0.001 0.000 0.313 200 I C 0.411 176.443 176.117 -0.143 0.000 0.998 200 I CA -0.698 60.561 61.300 -0.069 0.000 1.140 200 I CB 1.654 39.652 38.000 -0.003 0.000 1.327 200 I HN -0.267 nan 8.210 nan 0.000 0.491 201 D N 1.978 122.195 120.400 -0.305 0.000 2.380 201 D HA 0.286 4.927 4.640 0.001 0.000 0.212 201 D C 0.431 176.640 176.300 -0.152 0.000 1.021 201 D CA 0.542 54.313 54.000 -0.382 0.000 0.884 201 D CB 1.193 41.321 40.800 -1.121 0.000 1.001 201 D HN 0.685 nan 8.370 nan 0.000 0.506 202 A N 0.603 123.343 122.820 -0.135 0.000 2.572 202 A HA 0.683 5.004 4.320 0.001 0.000 0.295 202 A C -1.397 176.249 177.584 0.105 0.000 1.072 202 A CA -0.554 51.550 52.037 0.112 0.000 0.691 202 A CB 1.564 20.735 19.000 0.284 0.000 1.291 202 A HN 0.026 nan 8.150 nan 0.000 0.404 203 L N 0.525 121.833 121.223 0.142 0.000 2.354 203 L HA 0.901 5.242 4.340 0.001 0.000 0.264 203 L C 0.527 177.560 176.870 0.271 0.000 1.008 203 L CA -0.576 54.356 54.840 0.154 0.000 0.819 203 L CB 2.472 44.453 42.059 -0.129 0.000 1.339 203 L HN 1.082 nan 8.230 nan 0.000 0.420 204 G N 1.210 110.222 108.800 0.354 0.000 2.554 204 G HA2 0.666 4.627 3.960 0.001 0.000 0.306 204 G HA3 0.666 4.627 3.960 0.001 0.000 0.306 204 G C -1.912 172.876 174.900 -0.187 0.000 1.320 204 G CA -0.484 44.630 45.100 0.024 0.000 0.800 204 G HN 0.383 nan 8.290 nan 0.000 0.481 205 I N 1.751 122.101 120.570 -0.367 0.000 2.569 205 I HA 0.409 4.580 4.170 0.001 0.000 0.290 205 I C -1.110 174.890 176.117 -0.195 0.000 1.088 205 I CA -0.978 60.260 61.300 -0.103 0.000 1.047 205 I CB 2.466 40.618 38.000 0.253 0.000 1.237 205 I HN 0.690 nan 8.210 nan 0.000 0.421 206 N N 4.795 123.486 118.700 -0.016 0.000 2.357 206 N HA 0.518 5.258 4.740 0.001 0.000 0.284 206 N C -0.463 175.078 175.510 0.051 0.000 1.236 206 N CA -0.343 52.738 53.050 0.052 0.000 0.774 206 N CB 2.188 40.789 38.487 0.190 0.000 1.534 206 N HN 0.839 nan 8.380 nan 0.000 0.478 207 C N -0.166 119.147 119.300 0.022 0.000 0.168 207 C HA -0.247 4.214 4.460 0.001 0.000 0.017 207 C C 1.879 176.894 174.990 0.042 0.000 0.171 207 C CA 1.281 60.312 59.018 0.020 0.000 0.499 207 C CB -1.775 25.969 27.740 0.006 0.000 3.212 207 C HN 1.291 nan 8.230 nan 0.000 1.118 208 S N -1.766 113.961 115.700 0.046 0.000 1.998 208 S HA -0.283 4.188 4.470 0.001 0.000 0.225 208 S C -0.217 174.422 174.600 0.064 0.000 1.062 208 S CA 2.057 60.290 58.200 0.056 0.000 1.630 208 S CB -1.053 62.179 63.200 0.053 0.000 2.147 208 S HN 1.084 nan 8.310 nan 0.000 0.569 209 L N -0.041 121.218 121.223 0.060 0.000 2.350 209 L HA 0.751 5.091 4.340 0.001 0.000 0.260 209 L C 0.752 177.629 176.870 0.011 0.000 1.015 209 L CA -0.527 54.341 54.840 0.046 0.000 0.821 209 L CB 1.619 43.713 42.059 0.058 0.000 1.370 209 L HN 0.271 nan 8.230 nan 0.000 0.416 210 G N 0.039 108.824 108.800 -0.025 0.000 2.621 210 G HA2 0.357 4.318 3.960 0.001 0.000 0.271 210 G HA3 0.357 4.318 3.960 0.001 0.000 0.271 210 G C -2.090 172.669 174.900 -0.236 0.000 1.236 210 G CA -0.926 44.091 45.100 -0.139 0.000 0.958 210 G HN 0.425 nan 8.290 nan 0.000 0.512 211 P HA -0.105 nan 4.420 nan 0.000 0.215 211 P C 1.518 178.653 177.300 -0.276 0.000 1.157 211 P CA 1.366 64.192 63.100 -0.457 0.000 0.868 211 P CB 0.284 31.417 31.700 -0.945 0.000 0.788 212 E N 0.246 120.181 120.200 -0.442 0.000 2.031 212 E HA -0.218 4.133 4.350 0.001 0.000 0.193 212 E C 1.844 178.417 176.600 -0.045 0.000 0.994 212 E CA 1.578 57.886 56.400 -0.154 0.000 0.800 212 E CB -0.726 28.947 29.700 -0.044 0.000 0.752 212 E HN 0.074 nan 8.360 nan 0.000 0.447 213 E N 0.059 120.234 120.200 -0.041 0.000 2.110 213 E HA -0.089 4.262 4.350 0.001 0.000 0.193 213 E C 2.046 178.670 176.600 0.039 0.000 0.988 213 E CA 1.058 57.462 56.400 0.006 0.000 0.804 213 E CB -0.188 29.519 29.700 0.012 0.000 0.745 213 E HN 0.409 nan 8.360 nan 0.000 0.458 214 I N 0.066 120.673 120.570 0.063 0.000 2.676 214 I HA -0.176 3.995 4.170 0.001 0.000 0.259 214 I C 1.879 178.101 176.117 0.176 0.000 1.194 214 I CA 0.097 61.485 61.300 0.146 0.000 1.473 214 I CB -0.033 38.075 38.000 0.180 0.000 1.096 214 I HN 0.136 nan 8.210 nan 0.000 0.443 215 L N 2.308 123.572 121.223 0.069 0.000 1.990 215 L HA -0.151 4.190 4.340 0.001 0.000 0.213 215 L C -0.305 176.580 176.870 0.024 0.000 1.072 215 L CA 2.542 57.331 54.840 -0.085 0.000 0.755 215 L CB -1.610 40.321 42.059 -0.214 0.000 0.889 215 L HN 0.132 nan 8.230 nan 0.000 0.432 216 P HA -0.127 nan 4.420 nan 0.000 0.219 216 P C 2.118 179.432 177.300 0.023 0.000 1.150 216 P CA 1.547 64.658 63.100 0.019 0.000 0.814 216 P CB -0.003 31.701 31.700 0.007 0.000 0.787 217 I N -1.277 119.308 120.570 0.024 0.000 2.179 217 I HA -0.238 3.933 4.170 0.001 0.000 0.242 217 I C 2.531 178.654 176.117 0.010 0.000 1.088 217 I CA 1.466 62.735 61.300 -0.051 0.000 1.357 217 I CB -0.824 37.126 38.000 -0.084 0.000 1.051 217 I HN -0.176 nan 8.210 nan 0.000 0.409 218 F N 1.492 121.451 119.950 0.015 0.000 2.171 218 F HA -0.287 4.241 4.527 0.001 0.000 0.300 218 F C 2.721 178.550 175.800 0.048 0.000 1.090 218 F CA 1.924 59.975 58.000 0.086 0.000 1.293 218 F CB -0.290 38.860 39.000 0.249 0.000 1.013 218 F HN 0.058 nan 8.300 nan 0.000 0.486 219 Q N 0.316 120.194 119.800 0.131 0.000 2.096 219 Q HA -0.289 4.051 4.340 0.001 0.000 0.204 219 Q C 2.300 178.263 176.000 -0.061 0.000 0.982 219 Q CA 2.068 57.882 55.803 0.020 0.000 0.850 219 Q CB -0.404 28.354 28.738 0.033 0.000 0.901 219 Q HN 0.662 nan 8.270 nan 0.000 0.422 220 E N -0.101 120.082 120.200 -0.028 0.000 2.051 220 E HA -0.225 4.126 4.350 0.001 0.000 0.192 220 E C 2.119 178.746 176.600 0.046 0.000 0.991 220 E CA 1.174 57.592 56.400 0.030 0.000 0.799 220 E CB -0.165 29.543 29.700 0.014 0.000 0.748 220 E HN 0.373 nan 8.360 nan 0.000 0.449 221 L N 1.173 122.350 121.223 -0.078 0.000 2.013 221 L HA -0.228 4.113 4.340 0.001 0.000 0.212 221 L C 2.453 179.214 176.870 -0.183 0.000 1.073 221 L CA 2.686 57.460 54.840 -0.109 0.000 0.753 221 L CB -0.917 41.049 42.059 -0.156 0.000 0.890 221 L HN 0.233 nan 8.230 nan 0.000 0.432 222 S N -1.420 114.070 115.700 -0.349 0.000 2.419 222 S HA -0.274 4.196 4.470 0.001 0.000 0.235 222 S C 1.862 176.337 174.600 -0.209 0.000 1.019 222 S CA 1.385 59.392 58.200 -0.322 0.000 0.982 222 S CB -0.743 62.251 63.200 -0.344 0.000 0.789 222 S HN 0.733 nan 8.310 nan 0.000 0.490 223 Q N -0.635 119.038 119.800 -0.213 0.000 2.369 223 Q HA 0.075 4.415 4.340 0.001 0.000 0.206 223 Q C 0.598 176.271 176.000 -0.546 0.000 0.963 223 Q CA 1.031 56.605 55.803 -0.381 0.000 0.894 223 Q CB -0.122 28.326 28.738 -0.483 0.000 0.965 223 Q HN 0.814 nan 8.270 nan 0.000 0.475 224 Y N -1.294 118.936 120.300 -0.116 0.000 2.531 224 Y HA 0.259 4.810 4.550 0.001 0.000 0.249 224 Y C 0.251 176.077 175.900 -0.123 0.000 1.168 224 Y CA -0.106 57.931 58.100 -0.105 0.000 1.226 224 Y CB 1.417 39.823 38.460 -0.090 0.000 1.177 224 Y HN -0.202 nan 8.280 nan 0.000 0.527 225 T N -0.105 114.418 114.554 -0.050 0.000 2.916 225 T HA 0.180 4.531 4.350 0.001 0.000 0.305 225 T C -0.012 174.622 174.700 -0.110 0.000 1.119 225 T CA -0.616 61.433 62.100 -0.086 0.000 1.008 225 T CB 1.157 69.955 68.868 -0.117 0.000 1.129 225 T HN 0.288 nan 8.240 nan 0.000 0.480 226 D N 2.331 122.662 120.400 -0.114 0.000 2.360 226 D HA 0.136 4.777 4.640 0.001 0.000 0.210 226 D C 0.487 176.676 176.300 -0.185 0.000 1.047 226 D CA -0.129 53.791 54.000 -0.133 0.000 0.854 226 D CB 0.422 41.148 40.800 -0.124 0.000 0.936 226 D HN 0.394 nan 8.370 nan 0.000 0.514 227 K N -0.008 120.289 120.400 -0.171 0.000 2.132 227 K HA 0.243 4.564 4.320 0.001 0.000 0.240 227 K C 0.106 176.609 176.600 -0.161 0.000 1.036 227 K CA -0.538 55.617 56.287 -0.221 0.000 0.888 227 K CB 0.608 33.035 32.500 -0.121 0.000 1.071 227 K HN -0.106 nan 8.250 nan 0.000 0.502 228 F N 1.106 121.108 119.950 0.087 0.000 2.553 228 F HA 0.051 4.579 4.527 0.001 0.000 0.356 228 F C 0.536 176.433 175.800 0.161 0.000 1.142 228 F CA -0.187 57.909 58.000 0.160 0.000 1.322 228 F CB 0.225 39.391 39.000 0.276 0.000 1.126 228 F HN 0.053 nan 8.300 nan 0.000 0.599 229 L N 3.310 124.782 121.223 0.416 0.000 2.365 229 L HA 0.677 5.018 4.340 0.001 0.000 0.273 229 L C -0.906 176.233 176.870 0.448 0.000 1.000 229 L CA -0.934 54.131 54.840 0.375 0.000 0.819 229 L CB 1.891 44.165 42.059 0.357 0.000 1.284 229 L HN 0.284 nan 8.230 nan 0.000 0.418 230 V N 3.078 123.248 119.914 0.427 0.000 2.823 230 V HA 0.644 4.765 4.120 0.001 0.000 0.312 230 V C -0.654 175.560 176.094 0.200 0.000 1.072 230 V CA -0.754 61.753 62.300 0.344 0.000 0.937 230 V CB 2.749 34.866 31.823 0.490 0.000 1.013 230 V HN 0.470 nan 8.190 nan 0.000 0.430 231 V N 3.116 123.013 119.914 -0.029 0.000 2.888 231 V HA 0.640 4.761 4.120 0.001 0.000 0.309 231 V C -1.230 174.596 176.094 -0.447 0.000 1.114 231 V CA -0.198 61.934 62.300 -0.279 0.000 0.940 231 V CB 2.404 33.862 31.823 -0.608 0.000 1.021 231 V HN 1.052 nan 8.190 nan 0.000 0.426 232 E N 6.607 126.611 120.200 -0.326 0.000 2.761 232 E HA 0.348 4.699 4.350 0.001 0.000 0.266 232 E C -2.839 173.647 176.600 -0.191 0.000 1.097 232 E CA -1.597 54.616 56.400 -0.312 0.000 0.773 232 E CB 1.910 31.540 29.700 -0.117 0.000 1.453 232 E HN 0.479 nan 8.360 nan 0.000 0.388 233 P HA -0.028 nan 4.420 nan 0.000 0.272 233 P C -0.494 176.865 177.300 0.099 0.000 1.223 233 P CA -0.373 62.678 63.100 -0.081 0.000 0.784 233 P CB 0.587 32.129 31.700 -0.263 0.000 0.923 234 N N 0.803 119.547 118.700 0.073 0.000 2.364 234 N HA 0.250 4.991 4.740 0.001 0.000 0.264 234 N C -0.078 175.592 175.510 0.268 0.000 1.263 234 N CA -0.622 52.494 53.050 0.110 0.000 0.959 234 N CB -0.314 38.220 38.487 0.077 0.000 1.204 234 N HN 0.288 nan 8.380 nan 0.000 0.550 235 A N -1.357 121.596 122.820 0.221 0.000 2.640 235 A HA 0.603 4.924 4.320 0.001 0.000 0.282 235 A C 0.946 178.778 177.584 0.415 0.000 1.357 235 A CA 0.186 52.436 52.037 0.354 0.000 0.946 235 A CB -1.624 17.439 19.000 0.105 0.000 1.065 235 A HN 1.327 nan 8.150 nan 0.000 0.541 236 G N -1.264 107.716 108.800 0.300 0.000 2.660 236 G HA2 0.390 4.351 3.960 0.001 0.000 0.215 236 G HA3 0.390 4.351 3.960 0.001 0.000 0.215 236 G C -0.126 174.871 174.900 0.161 0.000 1.345 236 G CA -0.198 45.024 45.100 0.203 0.000 0.877 236 G HN 1.425 nan 8.290 nan 0.000 0.549 237 K N 1.793 122.208 120.400 0.026 0.000 2.253 237 K HA 0.793 5.114 4.320 0.001 0.000 0.277 237 K C -1.404 175.055 176.600 -0.235 0.000 1.053 237 K CA -0.779 55.453 56.287 -0.091 0.000 0.892 237 K CB 0.924 33.399 32.500 -0.041 0.000 1.102 237 K HN 0.827 nan 8.250 nan 0.000 0.469 238 P HA 0.719 nan 4.420 nan 0.000 0.274 238 P C -0.097 177.051 177.300 -0.254 0.000 1.231 238 P CA -0.033 62.719 63.100 -0.580 0.000 0.790 238 P CB 0.908 32.008 31.700 -1.000 0.000 0.951 245 T N 0.184 114.770 114.554 0.054 0.000 3.193 245 T HA 0.542 4.893 4.350 0.001 0.000 0.407 245 T C 0.939 175.688 174.700 0.081 0.000 1.146 245 T CA 0.855 63.011 62.100 0.094 0.000 1.085 245 T CB -0.276 68.639 68.868 0.079 0.000 1.424 245 T HN 2.014 nan 8.240 nan 0.000 0.521 246 V N 0.741 120.724 119.914 0.115 0.000 4.901 246 V HA -0.157 3.964 4.120 0.001 0.000 0.392 246 V C -0.406 175.750 176.094 0.103 0.000 1.006 246 V CA 0.609 62.984 62.300 0.124 0.000 1.541 246 V CB -1.975 29.892 31.823 0.073 0.000 1.687 246 V HN 0.655 nan 8.190 nan 0.000 0.464 247 Y N 7.240 127.580 120.300 0.067 0.000 2.334 247 Y HA 0.365 4.916 4.550 0.001 0.000 0.328 247 Y C -0.589 175.376 175.900 0.107 0.000 1.130 247 Y CA -1.937 56.210 58.100 0.079 0.000 1.163 247 Y CB 1.587 40.094 38.460 0.077 0.000 1.207 247 Y HN 0.394 nan 8.280 nan 0.000 0.471 248 P HA -0.078 nan 4.420 nan 0.000 0.220 248 P C -0.268 177.169 177.300 0.228 0.000 1.152 248 P CA 1.120 64.324 63.100 0.174 0.000 0.812 248 P CB 0.570 32.340 31.700 0.118 0.000 0.792 249 L N 0.289 121.699 121.223 0.312 0.000 2.268 249 L HA 0.251 4.591 4.340 0.001 0.000 0.289 249 L C 0.658 177.829 176.870 0.502 0.000 1.064 249 L CA -0.664 54.401 54.840 0.375 0.000 0.824 249 L CB 0.339 42.633 42.059 0.393 0.000 1.202 249 L HN -0.225 nan 8.230 nan 0.000 0.433 250 K N 4.173 124.783 120.400 0.350 0.000 2.098 250 K HA 0.305 4.626 4.320 0.001 0.000 0.244 250 K C -1.497 175.149 176.600 0.076 0.000 1.014 250 K CA -1.503 54.901 56.287 0.196 0.000 0.917 250 K CB 0.386 32.966 32.500 0.134 0.000 1.072 250 K HN 0.031 nan 8.250 nan 0.000 0.477 251 P HA -0.189 nan 4.420 nan 0.000 0.216 251 P C 0.407 177.707 177.300 0.001 0.000 1.157 251 P CA 1.653 64.498 63.100 -0.424 0.000 0.880 251 P CB 0.104 31.508 31.700 -0.493 0.000 0.791 252 H N -1.691 117.401 119.070 0.036 0.000 2.326 252 H HA -0.096 4.460 4.556 0.001 0.000 0.301 252 H C 1.863 177.293 175.328 0.169 0.000 1.081 252 H CA 1.840 57.941 56.048 0.088 0.000 1.334 252 H CB -0.922 28.867 29.762 0.044 0.000 1.385 252 H HN 0.165 nan 8.280 nan 0.000 0.504 253 D N -0.625 119.971 120.400 0.328 0.000 2.117 253 D HA -0.154 4.487 4.640 0.001 0.000 0.198 253 D C 1.807 178.392 176.300 0.475 0.000 0.982 253 D CA 0.530 54.718 54.000 0.314 0.000 0.828 253 D CB -0.123 40.843 40.800 0.277 0.000 0.967 253 D HN 0.165 nan 8.370 nan 0.000 0.464 254 F N 1.126 121.304 119.950 0.379 0.000 2.095 254 F HA -0.146 4.381 4.527 0.001 0.000 0.298 254 F C 2.152 178.256 175.800 0.508 0.000 1.104 254 F CA 1.684 59.968 58.000 0.473 0.000 1.232 254 F CB -0.642 38.691 39.000 0.555 0.000 0.987 254 F HN 0.022 nan 8.300 nan 0.000 0.475 255 A N -0.250 123.006 122.820 0.727 0.000 2.015 255 A HA -0.091 4.230 4.320 0.001 0.000 0.219 255 A C 2.148 179.871 177.584 0.232 0.000 1.163 255 A CA 1.601 53.938 52.037 0.501 0.000 0.646 255 A CB -1.576 17.653 19.000 0.381 0.000 0.806 255 A HN 0.437 nan 8.150 nan 0.000 0.448 256 V N -3.021 117.001 119.914 0.180 0.000 3.241 256 V HA -0.170 3.951 4.120 0.001 0.000 0.269 256 V C 1.662 177.693 176.094 -0.106 0.000 1.151 256 V CA 2.140 64.441 62.300 0.001 0.000 1.158 256 V CB -1.689 30.106 31.823 -0.047 0.000 0.764 256 V HN 0.641 nan 8.190 nan 0.000 0.508 257 H N -0.443 118.671 119.070 0.074 0.000 2.551 257 H HA 0.336 4.893 4.556 0.001 0.000 0.266 257 H C 2.010 177.377 175.328 0.066 0.000 0.964 257 H CA 0.956 57.050 56.048 0.076 0.000 1.180 257 H CB -0.071 29.777 29.762 0.144 0.000 1.408 257 H HN 0.387 nan 8.280 nan 0.000 0.563 258 I N 0.562 121.117 120.570 -0.026 0.000 2.208 258 I HA -0.307 3.864 4.170 0.001 0.000 0.245 258 I C 1.743 177.829 176.117 -0.052 0.000 1.097 258 I CA 1.330 62.454 61.300 -0.293 0.000 1.363 258 I CB -0.051 37.640 38.000 -0.514 0.000 1.051 258 I HN 0.304 nan 8.210 nan 0.000 0.413 259 D N 0.491 120.881 120.400 -0.016 0.000 2.123 259 D HA -0.173 4.468 4.640 0.001 0.000 0.196 259 D C 2.376 178.736 176.300 0.100 0.000 0.992 259 D CA 1.972 56.005 54.000 0.055 0.000 0.833 259 D CB -0.200 40.612 40.800 0.019 0.000 0.954 259 D HN 0.402 nan 8.370 nan 0.000 0.455 260 S N -0.462 115.258 115.700 0.033 0.000 2.402 260 S HA -0.181 4.290 4.470 0.001 0.000 0.229 260 S C 2.133 176.686 174.600 -0.078 0.000 1.021 260 S CA 0.640 58.816 58.200 -0.040 0.000 0.974 260 S CB -0.767 62.367 63.200 -0.110 0.000 0.800 260 S HN 0.268 nan 8.310 nan 0.000 0.484 261 Y N 0.396 120.706 120.300 0.016 0.000 2.263 261 Y HA 0.028 4.579 4.550 0.001 0.000 0.292 261 Y C 2.431 178.375 175.900 0.073 0.000 1.130 261 Y CA 1.014 59.094 58.100 -0.033 0.000 1.179 261 Y CB -0.846 37.546 38.460 -0.114 0.000 0.998 261 Y HN 0.382 nan 8.280 nan 0.000 0.532 262 Y N 1.187 121.554 120.300 0.112 0.000 2.165 262 Y HA -0.273 4.277 4.550 0.001 0.000 0.286 262 Y C 2.040 177.999 175.900 0.097 0.000 1.155 262 Y CA 1.926 60.079 58.100 0.089 0.000 1.164 262 Y CB -0.196 38.280 38.460 0.026 0.000 0.978 262 Y HN 0.144 nan 8.280 nan 0.000 0.513 263 E N 0.091 120.294 120.200 0.006 0.000 2.268 263 E HA -0.141 4.210 4.350 0.001 0.000 0.195 263 E C 1.629 178.198 176.600 -0.051 0.000 0.995 263 E CA 0.885 57.237 56.400 -0.079 0.000 0.836 263 E CB -0.104 29.605 29.700 0.014 0.000 0.763 263 E HN 0.541 nan 8.360 nan 0.000 0.491 264 L N -0.492 120.762 121.223 0.051 0.000 2.592 264 L HA 0.170 4.510 4.340 0.001 0.000 0.227 264 L C 1.117 178.096 176.870 0.182 0.000 1.127 264 L CA 0.223 55.150 54.840 0.145 0.000 0.884 264 L CB 0.274 42.527 42.059 0.322 0.000 1.065 264 L HN 0.229 nan 8.230 nan 0.000 0.457 265 G N 0.317 109.170 108.800 0.089 0.000 2.130 265 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 265 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 265 G C 0.176 175.231 174.900 0.258 0.000 0.999 265 G CA 0.112 45.265 45.100 0.088 0.000 0.686 265 G HN 0.103 nan 8.290 nan 0.000 0.515 266 V N -0.138 119.996 119.914 0.366 0.000 2.763 266 V HA 0.337 4.458 4.120 0.001 0.000 0.306 266 V C 1.248 177.544 176.094 0.338 0.000 1.059 266 V CA 1.639 64.201 62.300 0.435 0.000 1.138 266 V CB 0.872 32.883 31.823 0.314 0.000 0.940 266 V HN 0.479 nan 8.190 nan 0.000 0.489 267 N N 4.179 123.087 118.700 0.346 0.000 2.382 267 N HA 0.412 5.153 4.740 0.001 0.000 0.200 267 N C -0.626 175.014 175.510 0.218 0.000 1.122 267 N CA 0.001 53.226 53.050 0.292 0.000 0.870 267 N CB 0.570 39.276 38.487 0.366 0.000 1.176 267 N HN 0.579 nan 8.380 nan 0.000 0.474 268 I N 0.409 121.121 120.570 0.237 0.000 2.534 268 I HA 0.303 4.474 4.170 0.001 0.000 0.288 268 I C -1.683 174.540 176.117 0.176 0.000 1.077 268 I CA -0.815 60.597 61.300 0.186 0.000 1.051 268 I CB 2.170 40.283 38.000 0.189 0.000 1.234 268 I HN -0.112 nan 8.210 nan 0.000 0.425 269 F N 5.076 125.012 119.950 -0.023 0.000 2.493 269 F HA 0.856 5.384 4.527 0.001 0.000 0.329 269 F C 0.141 175.857 175.800 -0.140 0.000 1.126 269 F CA -0.102 57.808 58.000 -0.150 0.000 0.937 269 F CB 1.669 40.532 39.000 -0.228 0.000 1.146 269 F HN 0.474 nan 8.300 nan 0.000 0.442 270 G N 2.325 110.748 108.800 -0.629 0.000 2.870 270 G HA2 0.615 4.576 3.960 0.001 0.000 0.299 270 G HA3 0.615 4.576 3.960 0.001 0.000 0.299 270 G C -1.345 173.282 174.900 -0.455 0.000 1.324 270 G CA -0.548 44.355 45.100 -0.328 0.000 0.808 270 G HN 0.962 nan 8.290 nan 0.000 0.535 271 G N -1.875 106.833 108.800 -0.153 0.000 2.519 271 G HA2 0.537 4.498 3.960 0.001 0.000 0.307 271 G HA3 0.537 4.498 3.960 0.001 0.000 0.307 271 G C -0.911 173.870 174.900 -0.198 0.000 1.266 271 G CA -0.212 44.782 45.100 -0.175 0.000 0.970 271 G HN 0.811 nan 8.290 nan 0.000 0.481 272 C N -0.440 118.767 119.300 -0.156 0.000 2.880 272 C HA 0.598 5.058 4.460 0.001 0.000 0.387 272 C C 1.087 175.931 174.990 -0.243 0.000 2.619 272 C CA -0.442 58.474 59.018 -0.169 0.000 1.790 272 C CB 0.735 28.415 27.740 -0.100 0.000 2.560 272 C HN 0.867 nan 8.230 nan 0.000 0.452 273 C N 2.220 121.384 119.300 -0.226 0.000 2.334 273 C HA 0.402 4.863 4.460 0.001 0.000 0.395 273 C C 1.561 176.191 174.990 -0.601 0.000 1.507 273 C CA 1.654 60.487 59.018 -0.309 0.000 1.494 273 C CB -1.415 26.242 27.740 -0.137 0.000 2.509 273 C HN 1.341 nan 8.230 nan 0.000 0.599 274 G N 2.941 111.193 108.800 -0.914 0.000 2.234 274 G HA2 -0.209 3.751 3.960 0.001 0.000 0.235 274 G HA3 -0.209 3.751 3.960 0.001 0.000 0.235 274 G C 0.161 174.603 174.900 -0.764 0.000 0.997 274 G CA 0.421 44.636 45.100 -1.474 0.000 0.623 274 G HN 1.093 nan 8.290 nan 0.000 0.514 275 T N -0.161 113.981 114.554 -0.687 0.000 2.828 275 T HA 0.666 5.017 4.350 0.001 0.000 0.290 275 T C 0.360 174.787 174.700 -0.455 0.000 1.019 275 T CA 0.983 62.540 62.100 -0.904 0.000 1.031 275 T CB 1.922 70.236 68.868 -0.923 0.000 1.001 275 T HN 1.567 nan 8.240 nan 0.000 0.531 276 T N -1.905 112.520 114.554 -0.215 0.000 2.841 276 T HA 0.552 4.903 4.350 0.001 0.000 0.296 276 T C -2.443 172.279 174.700 0.037 0.000 1.166 276 T CA -1.854 60.237 62.100 -0.016 0.000 1.007 276 T CB 1.346 70.247 68.868 0.055 0.000 1.253 276 T HN 0.253 nan 8.240 nan 0.000 0.511 277 P HA -0.085 nan 4.420 nan 0.000 0.216 277 P C 1.373 178.581 177.300 -0.153 0.000 1.150 277 P CA 1.150 64.129 63.100 -0.203 0.000 0.843 277 P CB 0.122 31.587 31.700 -0.392 0.000 0.787 278 E N -1.177 118.936 120.200 -0.144 0.000 2.153 278 E HA -0.222 4.129 4.350 0.001 0.000 0.194 278 E C 1.744 178.158 176.600 -0.310 0.000 0.988 278 E CA 1.480 57.766 56.400 -0.190 0.000 0.811 278 E CB -0.715 28.891 29.700 -0.157 0.000 0.746 278 E HN 0.358 nan 8.360 nan 0.000 0.466 279 H N -1.106 117.729 119.070 -0.392 0.000 2.321 279 H HA -0.080 4.477 4.556 0.001 0.000 0.300 279 H C 2.041 176.629 175.328 -1.233 0.000 1.087 279 H CA 1.795 57.428 56.048 -0.692 0.000 1.319 279 H CB -0.271 29.028 29.762 -0.772 0.000 1.379 279 H HN 0.037 nan 8.280 nan 0.000 0.501 280 V N 0.989 120.390 119.914 -0.855 0.000 2.407 280 V HA -0.263 3.858 4.120 0.001 0.000 0.248 280 V C 2.088 177.961 176.094 -0.369 0.000 1.055 280 V CA 1.754 63.600 62.300 -0.757 0.000 1.049 280 V CB -0.398 31.314 31.823 -0.184 0.000 0.662 280 V HN 0.412 nan 8.190 nan 0.000 0.455 281 K N -0.294 119.943 120.400 -0.273 0.000 2.032 281 K HA -0.154 4.167 4.320 0.001 0.000 0.209 281 K C 2.100 178.612 176.600 -0.147 0.000 1.048 281 K CA 1.291 57.479 56.287 -0.164 0.000 0.927 281 K CB -0.270 32.136 32.500 -0.156 0.000 0.712 281 K HN 0.284 nan 8.250 nan 0.000 0.441 282 L N 0.047 121.140 121.223 -0.218 0.000 2.109 282 L HA -0.118 4.222 4.340 0.001 0.000 0.207 282 L C 2.321 179.237 176.870 0.076 0.000 1.086 282 L CA 1.458 56.220 54.840 -0.130 0.000 0.760 282 L CB -0.869 41.059 42.059 -0.219 0.000 0.910 282 L HN 0.102 nan 8.230 nan 0.000 0.437 283 F N 0.545 120.491 119.950 -0.007 0.000 2.126 283 F HA -0.210 4.318 4.527 0.001 0.000 0.299 283 F C 2.813 178.594 175.800 -0.031 0.000 1.096 283 F CA 1.137 59.141 58.000 0.007 0.000 1.255 283 F CB -1.230 37.837 39.000 0.112 0.000 0.997 283 F HN 0.083 nan 8.300 nan 0.000 0.479 284 R N 0.874 121.467 120.500 0.154 0.000 2.070 284 R HA -0.103 4.238 4.340 0.001 0.000 0.233 284 R C 2.226 178.538 176.300 0.021 0.000 1.137 284 R CA 1.340 57.480 56.100 0.066 0.000 0.945 284 R CB -0.321 29.995 30.300 0.028 0.000 0.845 284 R HN -0.115 nan 8.270 nan 0.000 0.430 285 K N -0.109 120.293 120.400 0.003 0.000 2.063 285 K HA -0.093 4.228 4.320 0.001 0.000 0.208 285 K C 2.000 178.590 176.600 -0.016 0.000 1.048 285 K CA 1.578 57.856 56.287 -0.016 0.000 0.928 285 K CB -0.444 32.036 32.500 -0.032 0.000 0.713 285 K HN 0.136 nan 8.250 nan 0.000 0.442 286 V N 1.192 121.104 119.914 -0.004 0.000 2.323 286 V HA -0.200 3.921 4.120 0.001 0.000 0.244 286 V C 2.383 178.435 176.094 -0.069 0.000 1.041 286 V CA 1.163 63.447 62.300 -0.026 0.000 1.025 286 V CB -0.364 31.455 31.823 -0.006 0.000 0.656 286 V HN 0.151 nan 8.190 nan 0.000 0.451 287 L N 0.387 121.568 121.223 -0.069 0.000 2.005 287 L HA 0.246 4.587 4.340 0.001 0.000 0.207 287 L C 1.538 178.342 176.870 -0.110 0.000 1.072 287 L CA 2.129 56.898 54.840 -0.118 0.000 0.744 287 L CB -1.047 40.960 42.059 -0.087 0.000 0.895 287 L HN 0.489 nan 8.230 nan 0.000 0.433 288 G N -0.420 108.344 108.800 -0.060 0.000 2.574 288 G HA2 -0.347 3.614 3.960 0.001 0.000 0.282 288 G HA3 -0.347 3.614 3.960 0.001 0.000 0.282 288 G C -0.151 174.717 174.900 -0.054 0.000 1.257 288 G CA 0.258 45.327 45.100 -0.053 0.000 0.956 288 G HN 0.516 nan 8.290 nan 0.000 0.560 289 N N 1.987 120.655 118.700 -0.053 0.000 2.501 289 N HA 0.488 5.229 4.740 0.001 0.000 0.245 289 N C -0.042 175.438 175.510 -0.050 0.000 0.974 289 N CA -0.121 52.907 53.050 -0.038 0.000 0.941 289 N CB 1.196 39.671 38.487 -0.020 0.000 1.122 289 N HN 0.556 nan 8.380 nan 0.000 0.507 290 R N 0.778 121.247 120.500 -0.051 0.000 2.621 290 R HA 0.371 4.712 4.340 0.001 0.000 0.292 290 R C -0.150 176.202 176.300 0.087 0.000 0.969 290 R CA -0.844 55.231 56.100 -0.042 0.000 0.887 290 R CB 2.570 32.709 30.300 -0.268 0.000 1.180 290 R HN 0.261 nan 8.270 nan 0.000 0.450 291 K N 3.555 124.037 120.400 0.137 0.000 2.270 291 K HA 0.226 4.547 4.320 0.001 0.000 0.276 291 K C -2.023 174.744 176.600 0.279 0.000 1.023 291 K CA -1.591 54.797 56.287 0.168 0.000 0.955 291 K CB 0.779 33.356 32.500 0.128 0.000 0.975 291 K HN 0.310 nan 8.250 nan 0.000 0.471 292 P HA 0.007 nan 4.420 nan 0.000 0.272 292 P C -0.600 176.747 177.300 0.079 0.000 1.223 292 P CA -0.519 62.709 63.100 0.214 0.000 0.784 292 P CB 0.547 32.374 31.700 0.211 0.000 0.923 293 L N 1.377 122.530 121.223 -0.116 0.000 2.426 293 L HA 0.271 4.612 4.340 0.001 0.000 0.271 293 L C 1.282 178.123 176.870 -0.048 0.000 1.169 293 L CA 0.461 55.215 54.840 -0.144 0.000 0.836 293 L CB -0.538 41.326 42.059 -0.326 0.000 1.112 293 L HN 0.535 nan 8.230 nan 0.000 0.465 294 Q N 4.685 124.466 119.800 -0.031 0.000 2.306 294 Q HA 0.653 4.994 4.340 0.001 0.000 0.241 294 Q C -0.190 175.785 176.000 -0.041 0.000 0.948 294 Q CA -0.483 55.307 55.803 -0.021 0.000 0.886 294 Q CB 0.697 29.427 28.738 -0.012 0.000 1.227 294 Q HN 0.682 nan 8.270 nan 0.000 0.457 295 R N -0.811 119.661 120.500 -0.047 0.000 2.774 295 R HA 0.709 5.049 4.340 0.001 0.000 0.272 295 R C -1.230 175.028 176.300 -0.070 0.000 1.000 295 R CA -0.982 55.081 56.100 -0.062 0.000 0.906 295 R CB 1.540 31.799 30.300 -0.068 0.000 1.227 295 R HN 0.686 nan 8.270 nan 0.000 0.468 296 K N 1.290 121.642 120.400 -0.079 0.000 2.358 296 K HA 0.320 4.641 4.320 0.001 0.000 0.260 296 K C -0.830 175.702 176.600 -0.114 0.000 0.956 296 K CA -1.053 55.184 56.287 -0.084 0.000 0.834 296 K CB 1.948 34.406 32.500 -0.070 0.000 1.102 296 K HN 0.676 nan 8.250 nan 0.000 0.431 297 K N 2.916 123.243 120.400 -0.121 0.000 2.237 297 K HA 0.156 4.477 4.320 0.001 0.000 0.270 297 K C -0.587 175.911 176.600 -0.171 0.000 1.015 297 K CA -0.681 55.508 56.287 -0.163 0.000 0.949 297 K CB 0.770 33.191 32.500 -0.131 0.000 0.976 297 K HN 0.419 nan 8.250 nan 0.000 0.472 298 K N 2.830 123.063 120.400 -0.279 0.000 2.436 298 K HA 0.053 4.374 4.320 0.001 0.000 0.275 298 K C -0.260 176.283 176.600 -0.096 0.000 0.999 298 K CA 0.047 56.193 56.287 -0.235 0.000 0.980 298 K CB 0.481 32.727 32.500 -0.423 0.000 0.919 298 K HN 0.535 nan 8.250 nan 0.000 0.484 299 R N 2.408 122.894 120.500 -0.023 0.000 2.393 299 R HA 0.456 4.797 4.340 0.001 0.000 0.315 299 R C -0.225 176.117 176.300 0.070 0.000 0.952 299 R CA -0.413 55.700 56.100 0.021 0.000 0.842 299 R CB 0.880 31.173 30.300 -0.010 0.000 1.163 299 R HN 0.642 nan 8.270 nan 0.000 0.450 300 I N -1.593 119.039 120.570 0.103 0.000 3.074 300 I HA 0.579 4.750 4.170 0.001 0.000 0.310 300 I C -1.272 174.914 176.117 0.114 0.000 1.153 300 I CA -1.190 60.188 61.300 0.129 0.000 0.993 300 I CB 2.058 40.157 38.000 0.164 0.000 1.237 300 I HN 0.366 nan 8.210 nan 0.000 0.443 301 F N 3.232 123.194 119.950 0.021 0.000 2.361 301 F HA 0.849 5.377 4.527 0.001 0.000 0.364 301 F C -0.228 175.609 175.800 0.062 0.000 1.117 301 F CA -0.252 57.733 58.000 -0.026 0.000 1.071 301 F CB 0.985 39.926 39.000 -0.097 0.000 1.188 301 F HN 0.811 nan 8.300 nan 0.000 0.464 302 A N 5.129 127.793 122.820 -0.259 0.000 2.572 302 A HA 0.787 5.108 4.320 0.001 0.000 0.295 302 A C -1.550 175.944 177.584 -0.151 0.000 1.072 302 A CA -0.422 51.606 52.037 -0.015 0.000 0.691 302 A CB 1.396 20.402 19.000 0.011 0.000 1.291 302 A HN 1.066 nan 8.150 nan 0.000 0.404 303 V N -0.726 119.215 119.914 0.045 0.000 3.046 303 V HA 1.004 5.125 4.120 0.001 0.000 0.316 303 V C -0.104 176.031 176.094 0.067 0.000 1.104 303 V CA -0.128 62.187 62.300 0.025 0.000 1.006 303 V CB 1.442 33.320 31.823 0.091 0.000 1.058 303 V HN 1.869 nan 8.190 nan 0.000 0.440 304 S N 0.866 116.621 115.700 0.093 0.000 2.588 304 S HA 0.894 5.365 4.470 0.001 0.000 0.275 304 S C -0.449 174.221 174.600 0.116 0.000 1.130 304 S CA 0.005 58.256 58.200 0.085 0.000 0.855 304 S CB 1.686 64.912 63.200 0.044 0.000 1.116 304 S HN 2.163 nan 8.310 nan 0.000 0.472 305 S N -0.043 115.669 115.700 0.019 0.000 2.715 305 S HA 0.733 5.204 4.470 0.001 0.000 0.307 305 S C -2.448 172.066 174.600 -0.143 0.000 1.119 305 S CA -1.676 56.460 58.200 -0.107 0.000 0.937 305 S CB 0.864 64.007 63.200 -0.095 0.000 1.150 305 S HN 0.417 nan 8.310 nan 0.000 0.521 306 P HA -0.095 nan 4.420 nan 0.000 0.216 306 P C 1.228 178.488 177.300 -0.066 0.000 1.150 306 P CA 1.875 64.863 63.100 -0.187 0.000 0.843 306 P CB -0.055 31.418 31.700 -0.378 0.000 0.787 307 S N -3.937 111.719 115.700 -0.073 0.000 2.539 307 S HA 0.256 4.727 4.470 0.001 0.000 0.221 307 S C 0.545 175.144 174.600 -0.001 0.000 0.987 307 S CA -0.174 58.018 58.200 -0.013 0.000 0.929 307 S CB -0.092 63.104 63.200 -0.007 0.000 0.832 307 S HN -0.097 nan 8.310 nan 0.000 0.492 308 K N 0.938 121.332 120.400 -0.008 0.000 2.482 308 K HA 0.641 4.962 4.320 0.001 0.000 0.251 308 K C -1.922 174.687 176.600 0.014 0.000 0.936 308 K CA -0.775 55.515 56.287 0.005 0.000 0.791 308 K CB 1.788 34.292 32.500 0.006 0.000 1.213 308 K HN 0.178 nan 8.250 nan 0.000 0.428 309 L N 4.934 126.165 121.223 0.013 0.000 2.305 309 L HA 0.581 4.922 4.340 0.001 0.000 0.284 309 L C -1.541 175.350 176.870 0.034 0.000 1.013 309 L CA -0.585 54.264 54.840 0.014 0.000 0.819 309 L CB 1.753 43.798 42.059 -0.023 0.000 1.227 309 L HN 0.445 nan 8.230 nan 0.000 0.417 310 V N 4.510 124.463 119.914 0.066 0.000 2.347 310 V HA 0.470 4.591 4.120 0.001 0.000 0.280 310 V C 0.155 176.341 176.094 0.152 0.000 1.021 310 V CA -0.366 61.985 62.300 0.086 0.000 0.847 310 V CB 1.435 33.285 31.823 0.046 0.000 0.990 310 V HN 0.854 nan 8.190 nan 0.000 0.444 311 T N 5.428 120.084 114.554 0.170 0.000 2.829 311 T HA 0.459 4.810 4.350 0.001 0.000 0.282 311 T C 0.056 174.885 174.700 0.215 0.000 0.990 311 T CA -0.076 62.169 62.100 0.241 0.000 1.028 311 T CB 0.680 69.656 68.868 0.179 0.000 0.951 311 T HN 0.383 nan 8.240 nan 0.000 0.460 312 F N 3.194 123.216 119.950 0.121 0.000 2.666 312 F HA 0.153 4.681 4.527 0.002 0.000 0.362 312 F C 1.108 176.921 175.800 0.021 0.000 1.190 312 F CA -0.637 57.364 58.000 0.003 0.000 1.328 312 F CB -0.034 38.985 39.000 0.032 0.000 1.682 312 F HN 0.556 nan 8.300 nan 0.000 0.623 313 D N -1.263 119.240 120.400 0.171 0.000 2.501 313 D HA 0.034 4.675 4.640 0.001 0.000 0.224 313 D C 0.208 176.633 176.300 0.208 0.000 1.202 313 D CA 0.049 54.156 54.000 0.179 0.000 0.829 313 D CB -0.214 40.693 40.800 0.178 0.000 1.023 313 D HN 0.398 nan 8.370 nan 0.000 0.499 314 H N -2.636 116.436 119.070 0.003 0.000 2.981 314 H HA 0.302 4.859 4.556 0.001 0.000 0.327 314 H C -1.527 173.795 175.328 -0.009 0.000 1.342 314 H CA -1.207 54.851 56.048 0.016 0.000 1.123 314 H CB -0.024 29.740 29.762 0.003 0.000 1.851 314 H HN -0.130 nan 8.280 nan 0.000 0.531 315 F N 2.112 121.993 119.950 -0.115 0.000 2.571 315 F HA 0.281 4.808 4.527 0.001 0.000 0.384 315 F C -0.373 175.230 175.800 -0.329 0.000 1.058 315 F CA -0.041 57.851 58.000 -0.181 0.000 1.200 315 F CB 0.308 39.277 39.000 -0.051 0.000 1.077 315 F HN 0.300 nan 8.300 nan 0.000 0.558 316 V N 7.813 127.048 119.914 -1.132 0.000 2.348 316 V HA 0.175 4.295 4.120 0.001 0.000 0.270 316 V C -0.271 175.391 176.094 -0.721 0.000 1.037 316 V CA -0.859 60.904 62.300 -0.896 0.000 0.872 316 V CB 1.038 32.156 31.823 -1.176 0.000 1.002 316 V HN 0.500 nan 8.190 nan 0.000 0.464 317 V N 7.277 127.031 119.914 -0.267 0.000 2.405 317 V HA 0.285 4.405 4.120 0.001 0.000 0.264 317 V C 0.219 176.271 176.094 -0.070 0.000 1.048 317 V CA 0.039 62.307 62.300 -0.054 0.000 0.966 317 V CB 0.645 32.524 31.823 0.093 0.000 1.015 317 V HN 0.638 nan 8.190 nan 0.000 0.477 318 I N 4.834 125.371 120.570 -0.055 0.000 2.307 318 I HA 0.373 4.544 4.170 0.001 0.000 0.289 318 I C 1.194 177.310 176.117 -0.002 0.000 1.021 318 I CA -0.175 61.109 61.300 -0.026 0.000 1.224 318 I CB 1.156 39.145 38.000 -0.017 0.000 1.376 318 I HN 0.678 nan 8.210 nan 0.000 0.470 319 G N 4.659 113.459 108.800 0.000 0.000 2.340 319 G HA2 0.047 4.008 3.960 0.001 0.000 0.245 319 G HA3 0.047 4.008 3.960 0.001 0.000 0.245 319 G C 0.798 175.692 174.900 -0.010 0.000 1.294 319 G CA -0.303 44.799 45.100 0.003 0.000 0.896 319 G HN 0.917 nan 8.290 nan 0.000 0.522 320 E N 1.833 122.028 120.200 -0.007 0.000 2.472 320 E HA 0.045 4.396 4.350 0.001 0.000 0.196 320 E C 1.658 178.241 176.600 -0.029 0.000 1.033 320 E CA -0.384 56.002 56.400 -0.022 0.000 0.886 320 E CB 0.164 29.856 29.700 -0.013 0.000 0.944 320 E HN 0.415 nan 8.360 nan 0.000 0.492 321 R N 0.949 121.438 120.500 -0.018 0.000 2.189 321 R HA 0.121 4.462 4.340 0.001 0.000 0.218 321 R C 0.843 177.131 176.300 -0.021 0.000 1.074 321 R CA 0.467 56.559 56.100 -0.012 0.000 0.991 321 R CB -0.227 30.074 30.300 0.001 0.000 0.883 321 R HN 0.283 nan 8.270 nan 0.000 0.457 322 I N 2.868 123.413 120.570 -0.042 0.000 2.366 322 I HA 0.011 4.182 4.170 0.001 0.000 0.302 322 I C 0.002 176.057 176.117 -0.104 0.000 1.194 322 I CA 0.087 61.346 61.300 -0.067 0.000 1.667 322 I CB -0.485 37.459 38.000 -0.093 0.000 1.501 322 I HN -0.041 nan 8.210 nan 0.000 0.776 323 N N 6.898 125.565 118.700 -0.056 0.000 2.648 323 N HA 0.193 4.934 4.740 0.001 0.000 0.272 323 N C -2.383 173.123 175.510 -0.008 0.000 1.118 323 N CA -1.239 51.777 53.050 -0.057 0.000 0.973 323 N CB 2.314 40.759 38.487 -0.070 0.000 1.565 323 N HN -0.048 nan 8.380 nan 0.000 0.542 324 P HA 0.120 nan 4.420 nan 0.000 0.245 324 P C 0.221 177.497 177.300 -0.040 0.000 1.206 324 P CA 0.140 63.293 63.100 0.089 0.000 0.781 324 P CB 0.164 32.053 31.700 0.314 0.000 0.994 325 A N 0.785 123.541 122.820 -0.107 0.000 2.567 325 A HA 0.369 4.690 4.320 0.001 0.000 0.240 325 A C 1.612 179.156 177.584 -0.066 0.000 1.053 325 A CA 0.771 52.726 52.037 -0.136 0.000 0.755 325 A CB -1.284 17.634 19.000 -0.137 0.000 0.978 325 A HN 0.355 nan 8.150 nan 0.000 0.507 326 G N 2.122 110.887 108.800 -0.059 0.000 2.180 326 G HA2 -0.294 3.666 3.960 0.001 0.000 0.263 326 G HA3 -0.294 3.666 3.960 0.001 0.000 0.263 326 G C 0.344 175.252 174.900 0.014 0.000 0.989 326 G CA 0.976 46.073 45.100 -0.006 0.000 0.692 326 G HN 0.984 nan 8.290 nan 0.000 0.526 327 R N -0.584 119.927 120.500 0.019 0.000 2.415 327 R HA 0.564 4.905 4.340 0.001 0.000 0.292 327 R C 1.382 177.752 176.300 0.116 0.000 1.295 327 R CA 0.199 56.335 56.100 0.061 0.000 1.137 327 R CB 0.885 31.224 30.300 0.065 0.000 1.135 327 R HN 0.236 nan 8.270 nan 0.000 0.560 328 K N 2.042 122.507 120.400 0.107 0.000 2.057 328 K HA -0.224 4.097 4.320 0.001 0.000 0.207 328 K C 1.917 178.618 176.600 0.168 0.000 1.049 328 K CA 2.033 58.413 56.287 0.155 0.000 0.931 328 K CB -0.091 32.472 32.500 0.105 0.000 0.714 328 K HN 0.277 nan 8.250 nan 0.000 0.440 329 K N 0.307 120.775 120.400 0.112 0.000 2.025 329 K HA -0.026 4.295 4.320 0.001 0.000 0.207 329 K C 2.034 178.690 176.600 0.093 0.000 1.049 329 K CA 1.493 57.831 56.287 0.084 0.000 0.933 329 K CB -0.540 31.995 32.500 0.059 0.000 0.714 329 K HN 0.236 nan 8.250 nan 0.000 0.438 330 L N 0.710 122.003 121.223 0.116 0.000 2.012 330 L HA -0.146 4.195 4.340 0.001 0.000 0.210 330 L C 2.178 179.153 176.870 0.175 0.000 1.073 330 L CA 2.068 56.985 54.840 0.128 0.000 0.748 330 L CB -0.898 41.238 42.059 0.128 0.000 0.891 330 L HN 0.544 nan 8.230 nan 0.000 0.431 331 W N 0.173 121.486 121.300 0.021 0.000 2.342 331 W HA -0.255 4.406 4.660 0.001 0.000 0.297 331 W C 2.065 178.588 176.519 0.007 0.000 1.213 331 W CA 1.597 58.955 57.345 0.021 0.000 1.251 331 W CB -0.091 29.379 29.460 0.018 0.000 1.136 331 W HN 0.391 nan 8.180 nan 0.000 0.526 332 A N 0.479 123.254 122.820 -0.075 0.000 2.015 332 A HA -0.184 4.136 4.320 0.001 0.000 0.219 332 A C 1.757 179.218 177.584 -0.206 0.000 1.163 332 A CA 1.601 53.526 52.037 -0.187 0.000 0.646 332 A CB -0.535 18.437 19.000 -0.046 0.000 0.806 332 A HN 0.267 nan 8.150 nan 0.000 0.448 333 E N -0.410 119.714 120.200 -0.126 0.000 2.170 333 E HA 0.002 4.353 4.350 0.001 0.000 0.191 333 E C 1.968 178.449 176.600 -0.199 0.000 0.981 333 E CA 0.657 56.991 56.400 -0.110 0.000 0.830 333 E CB -0.469 29.222 29.700 -0.015 0.000 0.775 333 E HN 0.669 nan 8.360 nan 0.000 0.470 334 M N 0.473 119.948 119.600 -0.208 0.000 2.213 334 M HA -0.153 4.328 4.480 0.001 0.000 0.263 334 M C 2.072 178.007 176.300 -0.609 0.000 1.062 334 M CA 1.397 56.516 55.300 -0.301 0.000 1.105 334 M CB -0.179 32.407 32.600 -0.023 0.000 1.385 334 M HN 0.072 nan 8.290 nan 0.000 0.417 335 Q N 0.321 119.734 119.800 -0.644 0.000 2.311 335 Q HA -0.113 4.228 4.340 0.001 0.000 0.203 335 Q C 1.442 177.191 176.000 -0.418 0.000 0.954 335 Q CA 0.859 56.298 55.803 -0.607 0.000 0.885 335 Q CB 0.121 28.431 28.738 -0.713 0.000 0.963 335 Q HN 0.553 nan 8.270 nan 0.000 0.471 336 K N -1.177 119.006 120.400 -0.362 0.000 2.410 336 K HA 0.225 4.546 4.320 0.001 0.000 0.200 336 K C 0.679 177.112 176.600 -0.278 0.000 1.023 336 K CA 0.535 56.668 56.287 -0.257 0.000 1.149 336 K CB 0.446 32.844 32.500 -0.171 0.000 0.859 336 K HN 0.069 nan 8.250 nan 0.000 0.514 337 G N 1.912 110.409 108.800 -0.505 0.000 2.198 337 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 337 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 337 G C -0.557 174.251 174.900 -0.153 0.000 1.025 337 G CA 0.124 44.861 45.100 -0.605 0.000 0.769 337 G HN 0.542 nan 8.290 nan 0.000 0.507 338 N N 0.419 119.052 118.700 -0.110 0.000 2.438 338 N HA 0.254 4.995 4.740 0.001 0.000 0.267 338 N C 1.232 176.922 175.510 0.300 0.000 1.222 338 N CA 0.394 53.495 53.050 0.084 0.000 0.930 338 N CB 0.514 39.017 38.487 0.027 0.000 1.083 338 N HN 0.567 nan 8.380 nan 0.000 0.476 339 E N 2.074 122.441 120.200 0.279 0.000 2.140 339 E HA -0.033 4.318 4.350 0.001 0.000 0.191 339 E C 0.992 177.689 176.600 0.162 0.000 0.973 339 E CA 0.467 57.022 56.400 0.259 0.000 0.829 339 E CB 0.252 30.087 29.700 0.225 0.000 0.781 339 E HN 0.610 nan 8.360 nan 0.000 0.466 340 E N 0.907 121.182 120.200 0.125 0.000 2.110 340 E HA -0.202 4.148 4.350 0.001 0.000 0.193 340 E C 2.158 178.805 176.600 0.078 0.000 0.988 340 E CA 0.751 57.203 56.400 0.086 0.000 0.804 340 E CB -0.271 29.470 29.700 0.067 0.000 0.745 340 E HN 0.344 nan 8.360 nan 0.000 0.458 341 I N 0.744 121.367 120.570 0.088 0.000 2.252 341 I HA -0.224 3.946 4.170 0.001 0.000 0.245 341 I C 2.143 178.307 176.117 0.078 0.000 1.102 341 I CA 0.744 62.089 61.300 0.076 0.000 1.385 341 I CB 0.158 38.203 38.000 0.074 0.000 1.064 341 I HN -0.123 nan 8.210 nan 0.000 0.414 342 V N 1.281 121.256 119.914 0.102 0.000 2.358 342 V HA -0.283 3.837 4.120 0.001 0.000 0.246 342 V C 2.316 178.446 176.094 0.059 0.000 1.047 342 V CA 1.960 64.310 62.300 0.084 0.000 1.035 342 V CB -0.442 31.446 31.823 0.109 0.000 0.658 342 V HN 0.385 nan 8.190 nan 0.000 0.452 343 I N -0.106 120.503 120.570 0.065 0.000 2.179 343 I HA -0.258 3.913 4.170 0.001 0.000 0.242 343 I C 2.644 178.785 176.117 0.041 0.000 1.088 343 I CA 1.752 63.083 61.300 0.051 0.000 1.357 343 I CB -0.464 37.567 38.000 0.051 0.000 1.051 343 I HN 0.271 nan 8.210 nan 0.000 0.409 344 K N 0.988 121.414 120.400 0.043 0.000 2.032 344 K HA -0.273 4.047 4.320 0.001 0.000 0.209 344 K C 2.063 178.682 176.600 0.031 0.000 1.048 344 K CA 1.907 58.215 56.287 0.035 0.000 0.927 344 K CB -0.069 32.453 32.500 0.036 0.000 0.712 344 K HN 0.091 nan 8.250 nan 0.000 0.441 345 E N 0.559 120.780 120.200 0.034 0.000 2.077 345 E HA -0.113 4.238 4.350 0.001 0.000 0.193 345 E C 1.691 178.304 176.600 0.022 0.000 0.989 345 E CA 1.577 57.994 56.400 0.027 0.000 0.800 345 E CB -0.299 29.418 29.700 0.028 0.000 0.746 345 E HN 0.398 nan 8.360 nan 0.000 0.452 346 A N 0.743 123.577 122.820 0.024 0.000 1.877 346 A HA -0.228 4.093 4.320 0.001 0.000 0.216 346 A C 2.097 179.695 177.584 0.023 0.000 1.186 346 A CA 1.946 53.996 52.037 0.022 0.000 0.620 346 A CB -0.455 18.562 19.000 0.028 0.000 0.822 346 A HN 0.197 nan 8.150 nan 0.000 0.443 347 K N -0.961 119.454 120.400 0.025 0.000 2.057 347 K HA -0.090 4.231 4.320 0.001 0.000 0.207 347 K C 2.145 178.757 176.600 0.021 0.000 1.049 347 K CA 1.739 58.040 56.287 0.023 0.000 0.931 347 K CB -0.400 32.114 32.500 0.024 0.000 0.714 347 K HN 0.505 nan 8.250 nan 0.000 0.440 348 T N 1.532 116.098 114.554 0.021 0.000 2.708 348 T HA -0.176 4.175 4.350 0.001 0.000 0.266 348 T C 1.870 176.581 174.700 0.018 0.000 1.037 348 T CA 1.277 63.389 62.100 0.019 0.000 1.146 348 T CB -0.168 68.711 68.868 0.019 0.000 0.865 348 T HN 0.291 nan 8.240 nan 0.000 0.435 349 Q N 0.267 120.077 119.800 0.018 0.000 2.050 349 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 349 Q C 2.620 178.631 176.000 0.019 0.000 0.980 349 Q CA 1.260 57.073 55.803 0.017 0.000 0.840 349 Q CB -0.464 28.283 28.738 0.014 0.000 0.898 349 Q HN 0.351 nan 8.270 nan 0.000 0.424 350 V N 1.234 121.160 119.914 0.019 0.000 2.332 350 V HA -0.276 3.845 4.120 0.001 0.000 0.248 350 V C 1.919 178.025 176.094 0.019 0.000 1.055 350 V CA 2.011 64.323 62.300 0.019 0.000 1.038 350 V CB -0.575 31.260 31.823 0.019 0.000 0.651 350 V HN 0.359 nan 8.190 nan 0.000 0.450 351 E N -0.170 120.041 120.200 0.018 0.000 2.130 351 E HA -0.229 4.122 4.350 0.001 0.000 0.196 351 E C 2.067 178.677 176.600 0.017 0.000 0.998 351 E CA 1.044 57.454 56.400 0.017 0.000 0.806 351 E CB -0.079 29.630 29.700 0.016 0.000 0.738 351 E HN 0.364 nan 8.360 nan 0.000 0.459 352 K N -1.079 119.332 120.400 0.018 0.000 2.486 352 K HA 0.046 4.367 4.320 0.001 0.000 0.194 352 K C 1.159 177.774 176.600 0.025 0.000 1.033 352 K CA 0.845 57.143 56.287 0.019 0.000 1.004 352 K CB 0.944 33.455 32.500 0.018 0.000 0.798 352 K HN 0.309 nan 8.250 nan 0.000 0.495 353 G N -0.213 108.603 108.800 0.027 0.000 2.227 353 G HA2 -0.168 3.793 3.960 0.001 0.000 0.168 353 G HA3 -0.168 3.793 3.960 0.001 0.000 0.168 353 G C 0.157 175.080 174.900 0.039 0.000 1.006 353 G CA -0.134 44.987 45.100 0.035 0.000 0.684 353 G HN 0.411 nan 8.290 nan 0.000 0.489 354 A N 0.431 123.269 122.820 0.030 0.000 2.524 354 A HA 0.601 4.922 4.320 0.001 0.000 0.250 354 A C 0.994 178.587 177.584 0.015 0.000 1.078 354 A CA 1.106 53.156 52.037 0.022 0.000 0.761 354 A CB 0.217 19.227 19.000 0.017 0.000 1.012 354 A HN 0.420 nan 8.150 nan 0.000 0.500 355 E N 1.172 121.371 120.200 -0.000 0.000 2.431 355 E HA 0.168 4.518 4.350 0.001 0.000 0.200 355 E C -0.489 176.108 176.600 -0.006 0.000 0.995 355 E CA 0.370 56.768 56.400 -0.003 0.000 0.915 355 E CB 0.597 30.289 29.700 -0.013 0.000 0.930 355 E HN 0.509 nan 8.360 nan 0.000 0.496 356 V N 1.530 121.437 119.914 -0.011 0.000 2.876 356 V HA 0.363 4.484 4.120 0.001 0.000 0.312 356 V C -0.735 175.364 176.094 0.009 0.000 1.085 356 V CA -0.759 61.548 62.300 0.013 0.000 0.945 356 V CB 2.326 34.166 31.823 0.028 0.000 1.017 356 V HN 0.047 nan 8.190 nan 0.000 0.428 357 L N 2.397 123.629 121.223 0.015 0.000 2.325 357 L HA 0.526 4.867 4.340 0.001 0.000 0.281 357 L C -0.547 176.310 176.870 -0.021 0.000 1.004 357 L CA -0.471 54.369 54.840 -0.000 0.000 0.823 357 L CB 1.781 43.845 42.059 0.008 0.000 1.236 357 L HN 0.641 nan 8.230 nan 0.000 0.415 358 D N 2.247 122.623 120.400 -0.039 0.000 2.350 358 D HA 0.365 5.006 4.640 0.001 0.000 0.249 358 D C -0.962 175.278 176.300 -0.100 0.000 1.119 358 D CA 0.097 54.054 54.000 -0.071 0.000 0.886 358 D CB 1.361 42.116 40.800 -0.074 0.000 1.195 358 D HN 0.094 nan 8.370 nan 0.000 0.437 359 V N 5.275 125.108 119.914 -0.134 0.000 2.482 359 V HA 0.370 4.491 4.120 0.001 0.000 0.295 359 V C -0.342 175.565 176.094 -0.310 0.000 1.026 359 V CA -0.934 61.226 62.300 -0.233 0.000 0.856 359 V CB 1.421 33.137 31.823 -0.178 0.000 1.001 359 V HN 0.643 nan 8.190 nan 0.000 0.424 360 N N 3.414 121.872 118.700 -0.404 0.000 2.225 360 N HA 0.471 5.212 4.740 0.001 0.000 0.298 360 N C -0.781 174.505 175.510 -0.374 0.000 1.076 360 N CA -0.422 52.464 53.050 -0.273 0.000 0.792 360 N CB 2.217 40.622 38.487 -0.136 0.000 1.498 360 N HN 0.423 nan 8.380 nan 0.000 0.474 361 F N 1.478 121.497 119.950 0.115 0.000 2.661 361 F HA 0.309 4.837 4.527 0.001 0.000 0.306 361 F C 1.673 177.665 175.800 0.318 0.000 1.094 361 F CA 0.497 58.632 58.000 0.225 0.000 1.254 361 F CB 0.365 39.491 39.000 0.210 0.000 1.040 361 F HN 0.818 nan 8.300 nan 0.000 0.562 362 G N 1.579 110.516 108.800 0.228 0.000 2.536 362 G HA2 -0.336 3.625 3.960 0.001 0.000 0.280 362 G HA3 -0.336 3.625 3.960 0.001 0.000 0.280 362 G C 0.093 174.981 174.900 -0.021 0.000 1.152 362 G CA -0.160 44.921 45.100 -0.031 0.000 0.970 362 G HN 0.124 nan 8.290 nan 0.000 0.549 363 I N 2.398 122.881 120.570 -0.145 0.000 2.357 363 I HA 0.201 4.372 4.170 0.001 0.000 0.300 363 I C 1.487 177.801 176.117 0.329 0.000 1.159 363 I CA 0.167 61.523 61.300 0.093 0.000 1.339 363 I CB 0.553 38.609 38.000 0.094 0.000 1.458 363 I HN 0.600 nan 8.210 nan 0.000 0.577 364 E N 2.519 122.849 120.200 0.217 0.000 2.118 364 E HA -0.203 4.147 4.350 0.001 0.000 0.195 364 E C 2.119 178.807 176.600 0.147 0.000 0.992 364 E CA 1.627 58.151 56.400 0.206 0.000 0.804 364 E CB 0.076 29.863 29.700 0.145 0.000 0.741 364 E HN 0.794 nan 8.360 nan 0.000 0.458 365 S N 0.235 116.007 115.700 0.121 0.000 2.547 365 S HA -0.145 4.326 4.470 0.001 0.000 0.235 365 S C 1.585 176.240 174.600 0.091 0.000 0.980 365 S CA 0.742 58.992 58.200 0.083 0.000 0.941 365 S CB 0.014 63.253 63.200 0.064 0.000 0.763 365 S HN 0.225 nan 8.310 nan 0.000 0.532 366 Q N -0.100 119.791 119.800 0.152 0.000 2.282 366 Q HA 0.364 4.705 4.340 0.001 0.000 0.206 366 Q C -0.531 175.484 176.000 0.025 0.000 0.878 366 Q CA -0.076 55.797 55.803 0.116 0.000 0.944 366 Q CB 0.494 29.371 28.738 0.232 0.000 1.100 366 Q HN 0.484 nan 8.270 nan 0.000 0.509 367 I N 0.901 121.505 120.570 0.057 0.000 2.460 367 I HA 0.180 4.350 4.170 0.001 0.000 0.298 367 I C -0.102 176.004 176.117 -0.018 0.000 0.989 367 I CA -1.027 60.273 61.300 -0.000 0.000 1.173 367 I CB 1.489 39.556 38.000 0.112 0.000 1.338 367 I HN -0.056 nan 8.210 nan 0.000 0.456 368 D N 4.405 124.780 120.400 -0.042 0.000 2.383 368 D HA 0.103 4.744 4.640 0.001 0.000 0.252 368 D C 1.060 177.350 176.300 -0.016 0.000 1.166 368 D CA -0.043 53.942 54.000 -0.025 0.000 0.879 368 D CB 1.456 42.239 40.800 -0.029 0.000 1.164 368 D HN 0.267 nan 8.370 nan 0.000 0.462 369 V N 5.382 125.268 119.914 -0.047 0.000 2.332 369 V HA -0.255 3.866 4.120 0.001 0.000 0.248 369 V C 2.515 178.565 176.094 -0.074 0.000 1.055 369 V CA 1.743 63.993 62.300 -0.084 0.000 1.038 369 V CB -0.511 31.268 31.823 -0.073 0.000 0.651 369 V HN 0.620 nan 8.190 nan 0.000 0.450 370 R N -1.129 119.349 120.500 -0.036 0.000 2.119 370 R HA -0.258 4.083 4.340 0.001 0.000 0.246 370 R C 2.305 178.605 176.300 -0.001 0.000 1.146 370 R CA 2.446 58.530 56.100 -0.026 0.000 0.962 370 R CB -0.562 29.726 30.300 -0.019 0.000 0.863 370 R HN 0.703 nan 8.270 nan 0.000 0.442 371 Y N 0.723 120.962 120.300 -0.102 0.000 2.200 371 Y HA -0.214 4.337 4.550 0.001 0.000 0.290 371 Y C 2.113 177.957 175.900 -0.094 0.000 1.137 371 Y CA 1.309 59.367 58.100 -0.071 0.000 1.163 371 Y CB -0.056 38.369 38.460 -0.059 0.000 0.988 371 Y HN -0.210 nan 8.280 nan 0.000 0.518 372 V N 0.902 120.645 119.914 -0.284 0.000 2.255 372 V HA -0.328 3.793 4.120 0.001 0.000 0.247 372 V C 2.111 178.043 176.094 -0.269 0.000 1.051 372 V CA 2.422 64.368 62.300 -0.590 0.000 1.018 372 V CB -0.711 30.651 31.823 -0.769 0.000 0.641 372 V HN 0.435 nan 8.190 nan 0.000 0.445 373 E N -0.271 119.826 120.200 -0.172 0.000 2.118 373 E HA -0.295 4.055 4.350 0.001 0.000 0.195 373 E C 2.268 178.850 176.600 -0.031 0.000 0.992 373 E CA 1.552 57.899 56.400 -0.087 0.000 0.804 373 E CB -0.156 29.502 29.700 -0.070 0.000 0.741 373 E HN 0.500 nan 8.360 nan 0.000 0.458 374 K N 0.309 120.676 120.400 -0.056 0.000 2.057 374 K HA -0.114 4.207 4.320 0.001 0.000 0.206 374 K C 2.002 178.629 176.600 0.044 0.000 1.050 374 K CA 0.769 57.055 56.287 -0.001 0.000 0.935 374 K CB 0.130 32.600 32.500 -0.050 0.000 0.715 374 K HN 0.011 nan 8.250 nan 0.000 0.439 375 I N 0.848 121.371 120.570 -0.078 0.000 2.252 375 I HA -0.211 3.960 4.170 0.001 0.000 0.245 375 I C 2.211 178.396 176.117 0.114 0.000 1.102 375 I CA 1.088 62.379 61.300 -0.016 0.000 1.385 375 I CB -0.819 37.147 38.000 -0.057 0.000 1.064 375 I HN -0.003 nan 8.210 nan 0.000 0.414 376 V N 0.647 120.644 119.914 0.139 0.000 2.343 376 V HA -0.296 3.825 4.120 0.001 0.000 0.247 376 V C 2.586 178.792 176.094 0.187 0.000 1.051 376 V CA 1.967 64.388 62.300 0.202 0.000 1.036 376 V CB -0.735 31.196 31.823 0.180 0.000 0.654 376 V HN 0.504 nan 8.190 nan 0.000 0.451 377 Q N -0.593 119.302 119.800 0.157 0.000 2.123 377 Q HA -0.178 4.163 4.340 0.001 0.000 0.199 377 Q C 2.200 178.372 176.000 0.287 0.000 0.966 377 Q CA 2.071 57.999 55.803 0.208 0.000 0.845 377 Q CB -0.079 28.802 28.738 0.238 0.000 0.907 377 Q HN 0.628 nan 8.270 nan 0.000 0.439 378 T N 1.308 116.004 114.554 0.236 0.000 2.770 378 T HA -0.023 4.328 4.350 0.001 0.000 0.263 378 T C 1.826 176.635 174.700 0.182 0.000 1.039 378 T CA 0.917 63.139 62.100 0.203 0.000 1.142 378 T CB -0.164 68.792 68.868 0.147 0.000 0.868 378 T HN 0.224 nan 8.240 nan 0.000 0.435 379 L N 0.942 122.246 121.223 0.135 0.000 2.043 379 L HA -0.097 4.243 4.340 0.001 0.000 0.212 379 L C -0.608 176.304 176.870 0.070 0.000 1.075 379 L CA 1.554 56.452 54.840 0.097 0.000 0.752 379 L CB -1.630 40.484 42.059 0.092 0.000 0.891 379 L HN 0.222 nan 8.230 nan 0.000 0.432 380 P HA -0.160 nan 4.420 nan 0.000 0.220 380 P C 1.044 178.237 177.300 -0.179 0.000 1.148 380 P CA 1.355 64.396 63.100 -0.099 0.000 0.803 380 P CB 0.001 31.549 31.700 -0.254 0.000 0.782 381 Y N -0.488 119.804 120.300 -0.013 0.000 2.153 381 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 381 Y C 2.381 178.271 175.900 -0.016 0.000 1.127 381 Y CA 1.133 59.222 58.100 -0.018 0.000 1.131 381 Y CB -1.178 37.263 38.460 -0.031 0.000 0.995 381 Y HN -0.195 nan 8.280 nan 0.000 0.505 382 V N -2.702 117.295 119.914 0.137 0.000 2.591 382 V HA -0.103 4.018 4.120 0.001 0.000 0.249 382 V C 1.921 178.044 176.094 0.047 0.000 1.053 382 V CA 1.714 64.056 62.300 0.070 0.000 1.068 382 V CB -0.775 31.073 31.823 0.042 0.000 0.689 382 V HN 0.403 nan 8.190 nan 0.000 0.462 383 S N -0.531 115.195 115.700 0.043 0.000 2.503 383 S HA 0.041 4.512 4.470 0.001 0.000 0.217 383 S C 1.283 175.895 174.600 0.020 0.000 0.999 383 S CA 0.576 58.795 58.200 0.031 0.000 0.914 383 S CB -0.409 62.811 63.200 0.033 0.000 0.782 383 S HN 0.662 nan 8.310 nan 0.000 0.520 384 N N 0.006 118.711 118.700 0.008 0.000 2.951 384 N HA -0.142 4.598 4.740 0.001 0.000 0.213 384 N C 0.130 175.631 175.510 -0.015 0.000 0.877 384 N CA 1.353 54.396 53.050 -0.010 0.000 1.042 384 N CB -1.895 36.594 38.487 0.005 0.000 1.005 384 N HN 0.778 nan 8.380 nan 0.000 0.604 385 V N -2.091 117.826 119.914 0.005 0.000 2.975 385 V HA 0.815 4.936 4.120 0.001 0.000 0.318 385 V C -2.326 173.800 176.094 0.053 0.000 1.077 385 V CA -1.867 60.447 62.300 0.023 0.000 1.000 385 V CB 1.770 33.609 31.823 0.027 0.000 1.066 385 V HN -0.211 nan 8.190 nan 0.000 0.452 386 P HA 0.366 nan 4.420 nan 0.000 0.272 386 P C -0.880 176.506 177.300 0.143 0.000 1.230 386 P CA -0.141 63.061 63.100 0.171 0.000 0.788 386 P CB 0.350 32.138 31.700 0.146 0.000 0.949 387 L N 0.583 121.904 121.223 0.163 0.000 2.334 387 L HA 0.440 4.781 4.340 0.001 0.000 0.276 387 L C 0.530 177.336 176.870 -0.107 0.000 1.014 387 L CA -0.681 54.176 54.840 0.028 0.000 0.815 387 L CB 1.802 43.921 42.059 0.100 0.000 1.268 387 L HN 0.287 nan 8.230 nan 0.000 0.428 388 S N 3.815 119.473 115.700 -0.070 0.000 2.399 388 S HA 0.472 4.943 4.470 0.001 0.000 0.301 388 S C -0.403 174.120 174.600 -0.129 0.000 1.093 388 S CA -0.664 57.477 58.200 -0.098 0.000 1.077 388 S CB -0.085 63.075 63.200 -0.066 0.000 0.980 388 S HN 0.434 nan 8.310 nan 0.000 0.494 389 L N 4.812 125.947 121.223 -0.147 0.000 2.283 389 L HA 0.355 4.696 4.340 0.001 0.000 0.287 389 L C 0.176 176.880 176.870 -0.277 0.000 1.073 389 L CA -0.455 54.331 54.840 -0.089 0.000 0.822 389 L CB 0.530 42.631 42.059 0.069 0.000 1.186 389 L HN 0.572 nan 8.230 nan 0.000 0.436 390 D N 5.848 126.135 120.400 -0.189 0.000 2.493 390 D HA 0.456 5.097 4.640 0.001 0.000 0.235 390 D C -0.662 175.576 176.300 -0.104 0.000 1.117 390 D CA -0.102 53.749 54.000 -0.248 0.000 0.930 390 D CB 0.352 41.046 40.800 -0.177 0.000 1.010 390 D HN 0.276 nan 8.370 nan 0.000 0.514 391 I N 2.512 123.008 120.570 -0.123 0.000 2.569 391 I HA 0.164 4.335 4.170 0.001 0.000 0.290 391 I C 1.034 177.237 176.117 0.143 0.000 1.088 391 I CA -0.516 60.856 61.300 0.119 0.000 1.047 391 I CB 2.465 40.633 38.000 0.280 0.000 1.237 391 I HN 0.116 nan 8.210 nan 0.000 0.421 392 Q N 2.270 122.138 119.800 0.114 0.000 2.304 392 Q HA 0.116 4.457 4.340 0.001 0.000 0.204 392 Q C 0.842 176.903 176.000 0.102 0.000 0.936 392 Q CA 0.265 56.124 55.803 0.094 0.000 0.878 392 Q CB 0.241 29.004 28.738 0.043 0.000 0.983 392 Q HN 0.540 nan 8.270 nan 0.000 0.516 393 N N 1.622 120.376 118.700 0.089 0.000 2.440 393 N HA -0.057 4.684 4.740 0.001 0.000 0.265 393 N C 1.044 176.586 175.510 0.054 0.000 1.239 393 N CA 0.030 53.115 53.050 0.060 0.000 0.909 393 N CB 1.587 40.103 38.487 0.048 0.000 1.066 393 N HN 0.099 nan 8.380 nan 0.000 0.474 394 V N 1.311 121.241 119.914 0.027 0.000 2.809 394 V HA -0.083 4.038 4.120 0.001 0.000 0.256 394 V C 1.410 177.491 176.094 -0.021 0.000 1.080 394 V CA 1.355 63.654 62.300 -0.003 0.000 1.102 394 V CB -0.184 31.630 31.823 -0.015 0.000 0.705 394 V HN 0.555 nan 8.190 nan 0.000 0.475 395 D N 0.228 120.621 120.400 -0.012 0.000 2.137 395 D HA -0.038 4.603 4.640 0.001 0.000 0.202 395 D C 2.192 178.470 176.300 -0.037 0.000 0.970 395 D CA 1.464 55.450 54.000 -0.023 0.000 0.837 395 D CB 0.118 40.908 40.800 -0.016 0.000 0.981 395 D HN 0.432 nan 8.370 nan 0.000 0.475 396 L N 1.280 122.490 121.223 -0.021 0.000 2.093 396 L HA -0.133 4.208 4.340 0.001 0.000 0.208 396 L C 2.308 179.162 176.870 -0.026 0.000 1.085 396 L CA 1.163 55.984 54.840 -0.032 0.000 0.755 396 L CB -0.482 41.572 42.059 -0.010 0.000 0.904 396 L HN 0.024 nan 8.230 nan 0.000 0.435 397 T N -0.503 114.055 114.554 0.007 0.000 2.665 397 T HA -0.297 4.054 4.350 0.001 0.000 0.268 397 T C 1.660 176.283 174.700 -0.128 0.000 1.035 397 T CA 1.964 64.053 62.100 -0.019 0.000 1.151 397 T CB -0.113 68.700 68.868 -0.091 0.000 0.862 397 T HN 0.411 nan 8.240 nan 0.000 0.438 398 E N 0.698 120.825 120.200 -0.121 0.000 2.051 398 E HA -0.159 4.191 4.350 0.001 0.000 0.192 398 E C 2.436 178.859 176.600 -0.296 0.000 0.991 398 E CA 1.007 57.315 56.400 -0.153 0.000 0.799 398 E CB 0.028 29.700 29.700 -0.047 0.000 0.748 398 E HN 0.405 nan 8.360 nan 0.000 0.449 399 R N -0.005 120.369 120.500 -0.210 0.000 2.096 399 R HA -0.090 4.251 4.340 0.001 0.000 0.235 399 R C 2.387 178.533 176.300 -0.256 0.000 1.127 399 R CA 1.050 57.008 56.100 -0.235 0.000 0.968 399 R CB -0.289 29.919 30.300 -0.153 0.000 0.861 399 R HN 0.172 nan 8.270 nan 0.000 0.440 400 A N 1.374 124.088 122.820 -0.175 0.000 1.897 400 A HA -0.058 4.263 4.320 0.001 0.000 0.215 400 A C 2.207 179.708 177.584 -0.139 0.000 1.181 400 A CA 0.861 52.835 52.037 -0.104 0.000 0.620 400 A CB -0.437 18.570 19.000 0.012 0.000 0.821 400 A HN 0.143 nan 8.150 nan 0.000 0.443 401 L N -0.813 120.286 121.223 -0.206 0.000 2.046 401 L HA -0.188 4.152 4.340 0.001 0.000 0.208 401 L C 2.818 179.440 176.870 -0.414 0.000 1.077 401 L CA 1.740 56.448 54.840 -0.221 0.000 0.747 401 L CB -0.435 41.513 42.059 -0.185 0.000 0.896 401 L HN 0.502 nan 8.230 nan 0.000 0.432 402 R N 0.553 120.561 120.500 -0.820 0.000 2.073 402 R HA -0.169 4.172 4.340 0.001 0.000 0.234 402 R C 1.992 177.640 176.300 -1.087 0.000 1.134 402 R CA 1.664 57.118 56.100 -1.077 0.000 0.952 402 R CB -0.217 29.432 30.300 -1.084 0.000 0.850 402 R HN 0.317 nan 8.270 nan 0.000 0.433 403 A N -0.309 121.974 122.820 -0.894 0.000 2.251 403 A HA -0.026 4.295 4.320 0.001 0.000 0.209 403 A C 0.220 177.619 177.584 -0.309 0.000 1.187 403 A CA -0.338 51.191 52.037 -0.847 0.000 0.823 403 A CB -0.267 18.499 19.000 -0.389 0.000 0.846 403 A HN 0.504 nan 8.150 nan 0.000 0.486 404 Y N 2.071 122.194 120.300 -0.296 0.000 2.436 404 Y HA 0.329 4.879 4.550 0.001 0.000 0.336 404 Y C -2.186 173.682 175.900 -0.053 0.000 1.049 404 Y CA -2.344 55.688 58.100 -0.114 0.000 1.294 404 Y CB 0.936 39.344 38.460 -0.087 0.000 1.179 404 Y HN 0.084 nan 8.280 nan 0.000 0.520 405 P HA 0.301 nan 4.420 nan 0.000 0.238 405 P C -0.050 176.861 177.300 -0.648 0.000 1.794 405 P CA 0.642 63.446 63.100 -0.493 0.000 1.088 405 P CB 0.089 31.607 31.700 -0.303 0.000 1.923 406 G N 1.371 109.948 108.800 -0.372 0.000 2.339 406 G HA2 0.027 3.988 3.960 0.001 0.000 0.275 406 G HA3 0.027 3.988 3.960 0.001 0.000 0.275 406 G C -1.668 173.347 174.900 0.192 0.000 1.323 406 G CA -0.982 44.066 45.100 -0.086 0.000 0.927 406 G HN 0.429 nan 8.290 nan 0.000 0.486 407 R N 0.720 121.345 120.500 0.207 0.000 2.215 407 R HA 0.585 4.926 4.340 0.001 0.000 0.337 407 R C 0.789 177.152 176.300 0.105 0.000 1.010 407 R CA 0.259 56.422 56.100 0.106 0.000 0.871 407 R CB 0.593 30.873 30.300 -0.034 0.000 1.134 407 R HN 0.908 nan 8.270 nan 0.000 0.477 408 S N 3.672 119.312 115.700 -0.099 0.000 2.645 408 S HA 0.313 4.784 4.470 0.001 0.000 0.266 408 S C -0.234 174.263 174.600 -0.173 0.000 1.258 408 S CA -0.907 57.041 58.200 -0.419 0.000 0.990 408 S CB 1.249 63.925 63.200 -0.873 0.000 0.967 408 S HN 0.482 nan 8.310 nan 0.000 0.556 409 L N 1.385 122.527 121.223 -0.136 0.000 2.296 409 L HA 0.641 4.982 4.340 0.001 0.000 0.286 409 L C -1.110 175.755 176.870 -0.009 0.000 1.023 409 L CA -0.815 54.003 54.840 -0.036 0.000 0.812 409 L CB 0.916 42.976 42.059 0.002 0.000 1.223 409 L HN 0.745 nan 8.230 nan 0.000 0.421 410 F N 5.052 124.954 119.950 -0.079 0.000 2.404 410 F HA 0.408 4.936 4.527 0.002 0.000 0.354 410 F C 0.329 176.101 175.800 -0.047 0.000 1.122 410 F CA -0.476 57.482 58.000 -0.070 0.000 1.080 410 F CB 0.706 39.674 39.000 -0.054 0.000 1.131 410 F HN 0.607 nan 8.300 nan 0.000 0.471 411 N N 4.588 122.739 118.700 -0.915 0.000 2.807 411 N HA 0.245 4.986 4.740 0.001 0.000 0.259 411 N C -1.389 173.692 175.510 -0.715 0.000 1.149 411 N CA 0.679 53.371 53.050 -0.597 0.000 1.042 411 N CB -0.271 37.978 38.487 -0.396 0.000 1.367 411 N HN 0.744 nan 8.380 nan 0.000 0.516 412 S N 0.437 115.903 115.700 -0.391 0.000 2.681 412 S HA 0.085 4.556 4.470 0.001 0.000 0.857 412 S C -1.070 173.555 174.600 0.042 0.000 0.789 412 S CA -0.544 57.585 58.200 -0.118 0.000 1.578 412 S CB -1.414 61.714 63.200 -0.122 0.000 1.138 412 S HN 0.714 nan 8.310 nan 0.000 0.226 413 A N 3.949 126.809 122.820 0.067 0.000 2.350 413 A HA 0.828 5.149 4.320 0.001 0.000 0.324 413 A C 0.169 177.763 177.584 0.016 0.000 1.118 413 A CA -0.985 51.086 52.037 0.056 0.000 0.783 413 A CB 1.140 20.168 19.000 0.046 0.000 1.236 413 A HN 0.869 nan 8.150 nan 0.000 0.457 414 K N 0.298 120.701 120.400 0.005 0.000 2.117 414 K HA 0.441 4.762 4.320 0.001 0.000 0.240 414 K C -0.519 176.095 176.600 0.023 0.000 1.031 414 K CA -0.615 55.666 56.287 -0.010 0.000 0.909 414 K CB 0.961 33.444 32.500 -0.030 0.000 1.097 414 K HN 0.373 nan 8.250 nan 0.000 0.492 415 V N 2.259 122.199 119.914 0.044 0.000 2.287 415 V HA 0.038 4.159 4.120 0.001 0.000 0.246 415 V C -0.149 176.021 176.094 0.127 0.000 1.165 415 V CA 0.247 62.624 62.300 0.129 0.000 1.088 415 V CB -0.795 31.196 31.823 0.280 0.000 1.242 415 V HN 0.658 nan 8.190 nan 0.000 0.497 416 D N 3.216 123.659 120.400 0.071 0.000 2.890 416 D HA 0.153 4.793 4.640 0.001 0.000 0.233 416 D C 0.728 177.045 176.300 0.029 0.000 1.306 416 D CA -0.460 53.572 54.000 0.053 0.000 0.929 416 D CB 2.101 42.923 40.800 0.036 0.000 1.512 416 D HN 0.261 nan 8.370 nan 0.000 0.568 417 E N 2.051 122.272 120.200 0.035 0.000 2.065 417 E HA -0.247 4.103 4.350 0.001 0.000 0.201 417 E C 1.287 177.894 176.600 0.012 0.000 1.016 417 E CA 1.329 57.750 56.400 0.035 0.000 0.818 417 E CB 0.194 29.918 29.700 0.040 0.000 0.749 417 E HN 0.687 nan 8.360 nan 0.000 0.453 418 E N 0.572 120.775 120.200 0.005 0.000 2.047 418 E HA -0.195 4.156 4.350 0.001 0.000 0.191 418 E C 2.119 178.699 176.600 -0.033 0.000 0.987 418 E CA 0.946 57.341 56.400 -0.008 0.000 0.799 418 E CB -0.012 29.686 29.700 -0.002 0.000 0.752 418 E HN 0.254 nan 8.360 nan 0.000 0.449 419 E N 0.377 120.560 120.200 -0.028 0.000 2.077 419 E HA -0.178 4.173 4.350 0.001 0.000 0.193 419 E C 2.440 178.992 176.600 -0.081 0.000 0.989 419 E CA 0.722 57.099 56.400 -0.038 0.000 0.800 419 E CB -0.023 29.670 29.700 -0.012 0.000 0.746 419 E HN 0.284 nan 8.360 nan 0.000 0.452 420 L N 0.732 121.898 121.223 -0.095 0.000 2.017 420 L HA -0.183 4.157 4.340 0.001 0.000 0.208 420 L C 2.747 179.420 176.870 -0.328 0.000 1.073 420 L CA 1.501 56.233 54.840 -0.180 0.000 0.745 420 L CB -0.424 41.550 42.059 -0.143 0.000 0.894 420 L HN 0.264 nan 8.230 nan 0.000 0.432 421 E N -0.048 119.976 120.200 -0.293 0.000 2.085 421 E HA -0.281 4.070 4.350 0.001 0.000 0.194 421 E C 2.366 178.817 176.600 -0.249 0.000 0.994 421 E CA 1.386 57.585 56.400 -0.334 0.000 0.801 421 E CB -0.020 29.645 29.700 -0.057 0.000 0.743 421 E HN 0.365 nan 8.360 nan 0.000 0.453 422 M N 0.324 119.822 119.600 -0.169 0.000 2.082 422 M HA -0.220 4.260 4.480 0.001 0.000 0.258 422 M C 2.245 178.420 176.300 -0.208 0.000 1.071 422 M CA 1.633 56.845 55.300 -0.148 0.000 1.103 422 M CB -0.186 32.353 32.600 -0.102 0.000 1.307 422 M HN 0.011 nan 8.290 nan 0.000 0.409 423 K N 0.220 120.479 120.400 -0.235 0.000 2.057 423 K HA -0.043 4.278 4.320 0.001 0.000 0.206 423 K C 1.793 178.162 176.600 -0.384 0.000 1.050 423 K CA 1.298 57.410 56.287 -0.293 0.000 0.935 423 K CB -0.640 31.735 32.500 -0.209 0.000 0.715 423 K HN 0.435 nan 8.250 nan 0.000 0.439 424 I N 2.046 122.304 120.570 -0.519 0.000 2.264 424 I HA -0.305 3.866 4.170 0.001 0.000 0.248 424 I C 1.816 177.601 176.117 -0.554 0.000 1.111 424 I CA 1.101 61.886 61.300 -0.858 0.000 1.382 424 I CB -0.360 37.020 38.000 -1.033 0.000 1.060 424 I HN 0.170 nan 8.210 nan 0.000 0.418 425 N N 0.758 119.244 118.700 -0.357 0.000 2.171 425 N HA -0.067 4.673 4.740 0.001 0.000 0.184 425 N C 1.949 177.331 175.510 -0.213 0.000 1.021 425 N CA 1.119 54.032 53.050 -0.227 0.000 0.854 425 N CB -0.325 38.066 38.487 -0.159 0.000 0.994 425 N HN 0.304 nan 8.380 nan 0.000 0.426 426 L N 0.511 121.610 121.223 -0.208 0.000 2.046 426 L HA -0.096 4.245 4.340 0.001 0.000 0.208 426 L C 2.093 178.898 176.870 -0.107 0.000 1.077 426 L CA 0.820 55.574 54.840 -0.144 0.000 0.747 426 L CB -0.376 41.610 42.059 -0.121 0.000 0.896 426 L HN 0.119 nan 8.230 nan 0.000 0.432 427 L N -0.655 120.483 121.223 -0.142 0.000 2.156 427 L HA -0.175 4.165 4.340 0.001 0.000 0.208 427 L C 2.569 179.456 176.870 0.029 0.000 1.095 427 L CA 1.110 55.937 54.840 -0.022 0.000 0.770 427 L CB -0.402 41.697 42.059 0.066 0.000 0.914 427 L HN 0.167 nan 8.230 nan 0.000 0.439 428 K N 0.150 120.532 120.400 -0.030 0.000 2.097 428 K HA -0.222 4.099 4.320 0.001 0.000 0.206 428 K C 2.190 178.736 176.600 -0.089 0.000 1.049 428 K CA 1.317 57.605 56.287 0.001 0.000 0.933 428 K CB -0.012 32.474 32.500 -0.023 0.000 0.717 428 K HN 0.170 nan 8.250 nan 0.000 0.442 429 K N -0.287 119.980 120.400 -0.222 0.000 2.076 429 K HA -0.095 4.226 4.320 0.001 0.000 0.204 429 K C 1.128 177.494 176.600 -0.390 0.000 1.051 429 K CA 1.183 57.229 56.287 -0.401 0.000 0.949 429 K CB 0.179 32.248 32.500 -0.718 0.000 0.726 429 K HN 0.086 nan 8.250 nan 0.000 0.443 430 Y N -0.202 120.072 120.300 -0.042 0.000 2.444 430 Y HA 0.312 4.863 4.550 0.002 0.000 0.249 430 Y C 0.598 176.462 175.900 -0.060 0.000 1.134 430 Y CA 0.160 58.229 58.100 -0.051 0.000 1.261 430 Y CB 0.998 39.411 38.460 -0.079 0.000 1.143 430 Y HN 0.254 nan 8.280 nan 0.000 0.523 431 G N -0.271 108.563 108.800 0.056 0.000 2.705 431 G HA2 0.397 4.357 3.960 0.001 0.000 0.686 431 G HA3 0.397 4.357 3.960 0.001 0.000 0.686 431 G C -0.130 174.785 174.900 0.025 0.000 1.285 431 G CA -0.291 44.813 45.100 0.008 0.000 0.800 431 G HN 1.023 nan 8.290 nan 0.000 0.611 432 G N -1.013 107.782 108.800 -0.008 0.000 2.351 432 G HA2 0.672 4.633 3.960 0.001 0.000 0.353 432 G HA3 0.672 4.633 3.960 0.001 0.000 0.353 432 G C -0.202 174.687 174.900 -0.018 0.000 1.358 432 G CA 0.581 45.668 45.100 -0.021 0.000 0.995 432 G HN 2.827 nan 8.290 nan 0.000 0.611 433 T N -2.361 112.169 114.554 -0.040 0.000 2.926 433 T HA 0.819 5.170 4.350 0.001 0.000 0.289 433 T C -0.919 173.860 174.700 0.133 0.000 1.054 433 T CA -0.805 61.276 62.100 -0.033 0.000 1.015 433 T CB 2.200 70.935 68.868 -0.222 0.000 1.167 433 T HN 1.681 nan 8.240 nan 0.000 0.526 434 L N 0.950 122.282 121.223 0.181 0.000 2.410 434 L HA 0.635 4.976 4.340 0.001 0.000 0.270 434 L C -1.078 175.823 176.870 0.052 0.000 0.983 434 L CA -1.082 53.871 54.840 0.188 0.000 0.822 434 L CB 1.510 43.737 42.059 0.280 0.000 1.285 434 L HN 0.779 nan 8.230 nan 0.000 0.409 435 I N 5.376 125.952 120.570 0.012 0.000 2.396 435 I HA 0.243 4.414 4.170 0.001 0.000 0.289 435 I C -0.478 175.604 176.117 -0.058 0.000 1.056 435 I CA -0.434 60.828 61.300 -0.063 0.000 1.365 435 I CB 1.126 39.084 38.000 -0.071 0.000 1.407 435 I HN 0.254 nan 8.210 nan 0.000 0.509 436 V N 7.809 127.646 119.914 -0.129 0.000 2.328 436 V HA 0.211 4.332 4.120 0.001 0.000 0.278 436 V C -0.047 176.082 176.094 0.059 0.000 1.021 436 V CA -0.631 61.632 62.300 -0.061 0.000 0.838 436 V CB 1.427 33.153 31.823 -0.162 0.000 0.999 436 V HN 0.406 nan 8.190 nan 0.000 0.447 437 L N 6.552 127.797 121.223 0.037 0.000 2.290 437 L HA 0.402 4.743 4.340 0.001 0.000 0.284 437 L C 0.267 177.143 176.870 0.009 0.000 1.078 437 L CA 0.261 55.114 54.840 0.023 0.000 0.815 437 L CB 0.858 42.898 42.059 -0.033 0.000 1.162 437 L HN 0.550 nan 8.230 nan 0.000 0.435 438 L N 7.406 128.637 121.223 0.014 0.000 2.533 438 L HA 0.222 4.563 4.340 0.001 0.000 0.239 438 L C 0.122 176.740 176.870 -0.420 0.000 1.376 438 L CA 0.066 54.867 54.840 -0.065 0.000 1.240 438 L CB -0.979 41.133 42.059 0.088 0.000 1.487 438 L HN 0.734 nan 8.230 nan 0.000 0.419 439 M N -2.079 117.190 119.600 -0.553 0.000 2.664 439 M HA 0.866 5.347 4.480 0.001 0.000 0.279 439 M C -0.290 175.630 176.300 -0.634 0.000 1.275 439 M CA -0.654 54.142 55.300 -0.839 0.000 0.829 439 M CB 2.255 34.632 32.600 -0.372 0.000 1.727 439 M HN 0.014 nan 8.290 nan 0.000 0.459 440 G N 0.086 108.649 108.800 -0.395 0.000 3.420 440 G HA2 0.479 4.440 3.960 0.001 0.000 0.183 440 G HA3 0.479 4.440 3.960 0.001 0.000 0.183 440 G C 0.676 175.617 174.900 0.068 0.000 1.315 440 G CA 0.400 45.525 45.100 0.042 0.000 0.958 440 G HN 0.889 nan 8.290 nan 0.000 0.745 441 K N -0.600 119.884 120.400 0.140 0.000 2.032 441 K HA 0.303 4.624 4.320 0.001 0.000 0.209 441 K C 1.140 177.788 176.600 0.079 0.000 1.048 441 K CA 2.271 58.611 56.287 0.088 0.000 0.927 441 K CB -1.529 nan 32.500 nan 0.000 0.712 441 K HN 1.108 nan 8.250 nan 0.000 0.441 442 D N -0.422 120.064 120.400 0.143 0.000 2.248 442 D HA 0.541 5.182 4.640 0.001 0.000 0.246 442 D C -0.469 175.877 176.300 0.076 0.000 1.027 442 D CA -0.211 53.855 54.000 0.110 0.000 0.853 442 D CB 1.824 nan 40.800 nan 0.000 1.243 442 D HN 0.238 nan 8.370 nan 0.000 0.462 443 V N 3.176 123.101 119.914 0.018 0.000 2.439 443 V HA 0.397 4.518 4.120 0.001 0.000 0.271 443 V C -1.567 174.547 176.094 0.034 0.000 1.040 443 V CA -0.901 61.385 62.300 -0.025 0.000 1.002 443 V CB 0.528 32.333 31.823 -0.031 0.000 1.000 443 V HN 0.694 nan 8.190 nan 0.000 0.477 444 P HA 0.492 nan 4.420 nan 0.000 0.279 444 P C 0.117 177.456 177.300 0.065 0.000 1.252 444 P CA -0.420 62.752 63.100 0.119 0.000 0.811 444 P CB 1.448 33.281 31.700 0.222 0.000 1.035 445 K N -0.087 120.353 120.400 0.067 0.000 2.403 445 K HA 0.202 4.523 4.320 0.001 0.000 0.199 445 K C 1.341 177.981 176.600 0.067 0.000 1.199 445 K CA 1.033 57.352 56.287 0.052 0.000 0.924 445 K CB -0.509 32.015 32.500 0.040 0.000 1.137 445 K HN 0.737 nan 8.250 nan 0.000 0.510 446 S N -1.247 114.494 115.700 0.070 0.000 2.730 446 S HA 0.524 4.995 4.470 0.001 0.000 0.284 446 S C 0.924 175.598 174.600 0.123 0.000 1.153 446 S CA -0.158 58.094 58.200 0.087 0.000 0.995 446 S CB 0.785 64.019 63.200 0.056 0.000 1.058 446 S HN 0.416 nan 8.310 nan 0.000 0.552 447 F N 1.418 121.359 119.950 -0.015 0.000 2.102 447 F HA 0.033 4.561 4.527 0.001 0.000 0.298 447 F C 2.275 178.025 175.800 -0.082 0.000 1.105 447 F CA 2.180 60.153 58.000 -0.046 0.000 1.239 447 F CB -0.753 38.208 39.000 -0.065 0.000 0.991 447 F HN 0.776 nan 8.300 nan 0.000 0.474 448 E N 0.587 120.566 120.200 -0.370 0.000 2.150 448 E HA -0.164 4.186 4.350 0.001 0.000 0.193 448 E C 2.093 178.527 176.600 -0.275 0.000 0.985 448 E CA 1.562 57.677 56.400 -0.474 0.000 0.814 448 E CB -0.376 29.158 29.700 -0.278 0.000 0.752 448 E HN 0.596 nan 8.360 nan 0.000 0.466 449 E N -0.131 119.995 120.200 -0.123 0.000 2.058 449 E HA -0.191 4.160 4.350 0.001 0.000 0.194 449 E C 2.257 178.894 176.600 0.062 0.000 0.997 449 E CA 1.047 57.429 56.400 -0.030 0.000 0.801 449 E CB -0.079 29.651 29.700 0.050 0.000 0.746 449 E HN 0.196 nan 8.360 nan 0.000 0.450 450 R N 0.643 121.176 120.500 0.056 0.000 2.090 450 R HA -0.064 4.276 4.340 0.001 0.000 0.228 450 R C 2.381 178.719 176.300 0.064 0.000 1.110 450 R CA 0.845 57.024 56.100 0.132 0.000 0.973 450 R CB -0.096 30.271 30.300 0.112 0.000 0.869 450 R HN -0.005 nan 8.270 nan 0.000 0.440 451 K N 1.250 121.541 120.400 -0.182 0.000 2.147 451 K HA -0.176 4.145 4.320 0.001 0.000 0.205 451 K C 1.499 178.079 176.600 -0.033 0.000 1.049 451 K CA 1.443 57.594 56.287 -0.227 0.000 0.936 451 K CB 0.167 32.210 32.500 -0.762 0.000 0.722 451 K HN 0.193 nan 8.250 nan 0.000 0.446 452 E N -0.747 119.391 120.200 -0.103 0.000 2.106 452 E HA -0.175 4.176 4.350 0.001 0.000 0.192 452 E C 1.783 178.323 176.600 -0.099 0.000 0.984 452 E CA 1.248 57.571 56.400 -0.128 0.000 0.806 452 E CB -0.086 29.484 29.700 -0.216 0.000 0.750 452 E HN 0.370 nan 8.360 nan 0.000 0.458 453 Y N -0.408 119.892 120.300 -0.001 0.000 2.181 453 Y HA -0.243 4.307 4.550 0.001 0.000 0.288 453 Y C 2.131 178.055 175.900 0.040 0.000 1.146 453 Y CA 1.231 59.346 58.100 0.025 0.000 1.164 453 Y CB -0.187 38.299 38.460 0.044 0.000 0.982 453 Y HN 0.105 nan 8.280 nan 0.000 0.515 454 F N 1.207 121.182 119.950 0.041 0.000 2.095 454 F HA -0.248 4.280 4.527 0.002 0.000 0.298 454 F C 2.046 177.764 175.800 -0.136 0.000 1.104 454 F CA 2.093 59.997 58.000 -0.160 0.000 1.232 454 F CB -0.390 38.462 39.000 -0.247 0.000 0.987 454 F HN -0.020 nan 8.300 nan 0.000 0.475 455 E N -0.015 120.056 120.200 -0.214 0.000 2.216 455 E HA -0.141 4.210 4.350 0.001 0.000 0.192 455 E C 2.148 178.640 176.600 -0.179 0.000 0.988 455 E CA 0.623 56.851 56.400 -0.286 0.000 0.834 455 E CB -0.107 29.554 29.700 -0.065 0.000 0.772 455 E HN 0.395 nan 8.360 nan 0.000 0.479 456 K N 0.460 120.800 120.400 -0.100 0.000 2.002 456 K HA -0.156 4.165 4.320 0.001 0.000 0.209 456 K C 2.083 178.667 176.600 -0.027 0.000 1.048 456 K CA 1.279 57.535 56.287 -0.052 0.000 0.930 456 K CB -0.146 32.334 32.500 -0.033 0.000 0.714 456 K HN 0.115 nan 8.250 nan 0.000 0.438 457 A N 1.588 124.406 122.820 -0.004 0.000 1.883 457 A HA -0.177 4.144 4.320 0.001 0.000 0.217 457 A C 2.179 179.759 177.584 -0.006 0.000 1.186 457 A CA 1.486 53.554 52.037 0.053 0.000 0.624 457 A CB -0.767 18.359 19.000 0.210 0.000 0.822 457 A HN 0.375 nan 8.150 nan 0.000 0.444 458 L N -1.186 119.920 121.223 -0.193 0.000 2.079 458 L HA -0.234 4.107 4.340 0.001 0.000 0.210 458 L C 2.688 179.527 176.870 -0.051 0.000 1.081 458 L CA 2.012 56.738 54.840 -0.189 0.000 0.752 458 L CB -0.376 41.420 42.059 -0.439 0.000 0.896 458 L HN 0.433 nan 8.230 nan 0.000 0.433 459 K N 0.174 120.541 120.400 -0.055 0.000 2.057 459 K HA -0.135 4.186 4.320 0.001 0.000 0.206 459 K C 1.998 178.618 176.600 0.033 0.000 1.050 459 K CA 1.211 57.491 56.287 -0.012 0.000 0.935 459 K CB -0.017 32.468 32.500 -0.025 0.000 0.715 459 K HN 0.204 nan 8.250 nan 0.000 0.439 460 I N 0.782 121.386 120.570 0.057 0.000 2.202 460 I HA -0.291 3.879 4.170 0.001 0.000 0.242 460 I C 1.985 178.232 176.117 0.217 0.000 1.091 460 I CA 1.154 62.533 61.300 0.132 0.000 1.368 460 I CB -0.204 37.866 38.000 0.116 0.000 1.058 460 I HN 0.138 nan 8.210 nan 0.000 0.410 461 L N 0.267 121.586 121.223 0.162 0.000 2.141 461 L HA -0.192 4.149 4.340 0.001 0.000 0.209 461 L C 2.591 179.590 176.870 0.214 0.000 1.094 461 L CA 1.252 56.219 54.840 0.213 0.000 0.763 461 L CB -0.521 41.658 42.059 0.200 0.000 0.908 461 L HN 0.306 nan 8.230 nan 0.000 0.437 462 E N 1.046 121.331 120.200 0.140 0.000 2.107 462 E HA -0.229 4.122 4.350 0.001 0.000 0.191 462 E C 2.276 178.922 176.600 0.077 0.000 0.982 462 E CA 1.003 57.467 56.400 0.106 0.000 0.809 462 E CB 0.162 29.903 29.700 0.069 0.000 0.756 462 E HN 0.519 nan 8.360 nan 0.000 0.459 463 R N -1.067 119.462 120.500 0.049 0.000 2.189 463 R HA -0.048 4.293 4.340 0.001 0.000 0.218 463 R C 1.154 177.388 176.300 -0.110 0.000 1.074 463 R CA 1.479 57.552 56.100 -0.044 0.000 0.991 463 R CB -0.438 29.802 30.300 -0.099 0.000 0.883 463 R HN 0.217 nan 8.270 nan 0.000 0.457 464 H N 0.415 119.512 119.070 0.045 0.000 2.529 464 H HA 0.089 4.646 4.556 0.001 0.000 0.277 464 H C -0.459 174.936 175.328 0.112 0.000 1.004 464 H CA 0.377 56.453 56.048 0.047 0.000 1.167 464 H CB 0.246 30.012 29.762 0.006 0.000 1.445 464 H HN 0.317 nan 8.280 nan 0.000 0.554 465 D N -0.541 119.975 120.400 0.192 0.000 2.686 465 D HA -0.287 4.354 4.640 0.001 0.000 0.235 465 D C -0.103 176.342 176.300 0.243 0.000 1.160 465 D CA 0.446 54.545 54.000 0.166 0.000 0.645 465 D CB -1.527 39.336 40.800 0.104 0.000 1.039 465 D HN 0.523 nan 8.370 nan 0.000 0.423 466 F N -0.567 119.433 119.950 0.084 0.000 2.729 466 F HA 0.294 4.822 4.527 0.001 0.000 0.315 466 F C 1.891 177.742 175.800 0.084 0.000 1.102 466 F CA 0.020 58.056 58.000 0.061 0.000 1.204 466 F CB 0.377 39.398 39.000 0.036 0.000 1.052 466 F HN 0.037 nan 8.300 nan 0.000 0.551 467 S N 0.499 116.299 115.700 0.167 0.000 2.402 467 S HA -0.223 4.248 4.470 0.001 0.000 0.233 467 S C 1.583 176.292 174.600 0.181 0.000 1.030 467 S CA 1.864 60.194 58.200 0.217 0.000 1.003 467 S CB -0.307 63.033 63.200 0.234 0.000 0.813 467 S HN 0.650 nan 8.310 nan 0.000 0.477 468 D N -0.056 120.351 120.400 0.012 0.000 2.328 468 D HA 0.002 4.643 4.640 0.001 0.000 0.221 468 D C 0.861 177.140 176.300 -0.035 0.000 1.072 468 D CA 0.083 54.079 54.000 -0.007 0.000 0.850 468 D CB -0.134 40.639 40.800 -0.046 0.000 0.922 468 D HN 0.268 nan 8.370 nan 0.000 0.516 469 R N 0.399 120.767 120.500 -0.220 0.000 2.662 469 R HA 0.247 4.587 4.340 0.001 0.000 0.396 469 R C -0.235 176.051 176.300 -0.023 0.000 1.096 469 R CA -0.251 55.644 56.100 -0.342 0.000 1.081 469 R CB 1.553 31.181 30.300 -1.120 0.000 1.382 469 R HN 0.123 nan 8.270 nan 0.000 0.580 470 V N -2.283 117.705 119.914 0.123 0.000 2.823 470 V HA 0.665 4.786 4.120 0.001 0.000 0.312 470 V C -0.284 175.645 176.094 -0.276 0.000 1.072 470 V CA -1.037 61.225 62.300 -0.063 0.000 0.937 470 V CB 2.383 34.035 31.823 -0.284 0.000 1.013 470 V HN 0.007 nan 8.190 nan 0.000 0.430 471 I N 3.133 123.486 120.570 -0.363 0.000 2.474 471 I HA 0.537 4.708 4.170 0.001 0.000 0.294 471 I C -1.006 174.901 176.117 -0.351 0.000 1.005 471 I CA -0.374 60.698 61.300 -0.381 0.000 1.113 471 I CB 2.061 39.860 38.000 -0.335 0.000 1.289 471 I HN 0.560 nan 8.210 nan 0.000 0.436 472 F N 3.349 123.296 119.950 -0.005 0.000 2.404 472 F HA 0.293 4.821 4.527 0.001 0.000 0.339 472 F C 0.312 176.128 175.800 0.026 0.000 1.105 472 F CA -0.427 57.592 58.000 0.032 0.000 1.087 472 F CB 0.926 39.970 39.000 0.073 0.000 1.143 472 F HN 0.319 nan 8.300 nan 0.000 0.491 473 D N 5.194 125.716 120.400 0.203 0.000 2.414 473 D HA 0.270 4.911 4.640 0.001 0.000 0.232 473 D C -1.886 174.495 176.300 0.134 0.000 1.070 473 D CA -2.599 51.477 54.000 0.127 0.000 0.839 473 D CB 1.903 42.734 40.800 0.052 0.000 1.079 473 D HN 0.120 nan 8.370 nan 0.000 0.521 474 P HA 0.083 nan 4.420 nan 0.000 0.226 474 P C 0.419 177.758 177.300 0.065 0.000 1.153 474 P CA 0.533 63.702 63.100 0.114 0.000 0.777 474 P CB 0.141 31.922 31.700 0.136 0.000 0.794 475 G N -0.300 108.524 108.800 0.040 0.000 3.110 475 G HA2 -0.114 3.847 3.960 0.001 0.000 0.506 475 G HA3 -0.114 3.847 3.960 0.001 0.000 0.506 475 G C -0.525 174.362 174.900 -0.021 0.000 1.077 475 G CA -0.685 44.409 45.100 -0.009 0.000 0.960 475 G HN 0.163 nan 8.290 nan 0.000 0.434 476 V N 3.944 123.824 119.914 -0.055 0.000 2.432 476 V HA 0.527 4.647 4.120 0.001 0.000 0.271 476 V C 1.115 177.138 176.094 -0.118 0.000 1.046 476 V CA -0.309 61.916 62.300 -0.124 0.000 0.945 476 V CB 1.194 32.875 31.823 -0.237 0.000 0.992 476 V HN 0.611 nan 8.190 nan 0.000 0.471 477 L N 7.210 128.371 121.223 -0.102 0.000 2.360 477 L HA 0.513 4.854 4.340 0.001 0.000 0.271 477 L C -2.321 174.500 176.870 -0.081 0.000 1.057 477 L CA -2.036 52.758 54.840 -0.076 0.000 0.803 477 L CB 1.237 43.269 42.059 -0.045 0.000 1.207 477 L HN 0.396 nan 8.230 nan 0.000 0.445 478 P HA 0.080 nan 4.420 nan 0.000 0.268 478 P C 0.616 177.883 177.300 -0.054 0.000 1.205 478 P CA -0.143 62.949 63.100 -0.014 0.000 0.771 478 P CB 0.745 32.515 31.700 0.117 0.000 0.858 479 L N 2.283 123.441 121.223 -0.109 0.000 2.046 479 L HA -0.115 4.226 4.340 0.001 0.000 0.208 479 L C 2.344 179.156 176.870 -0.098 0.000 1.077 479 L CA 1.989 56.756 54.840 -0.122 0.000 0.747 479 L CB -0.963 40.967 42.059 -0.215 0.000 0.896 479 L HN 0.580 nan 8.230 nan 0.000 0.432 480 G N -1.134 107.599 108.800 -0.112 0.000 2.708 480 G HA2 0.068 4.029 3.960 0.001 0.000 0.210 480 G HA3 0.068 4.029 3.960 0.001 0.000 0.210 480 G C 0.709 175.583 174.900 -0.042 0.000 1.141 480 G CA 0.550 45.599 45.100 -0.086 0.000 0.788 480 G HN 0.411 nan 8.290 nan 0.000 0.531 481 A N 0.245 123.052 122.820 -0.023 0.000 2.959 481 A HA 0.547 4.867 4.320 0.001 0.000 0.280 481 A C 0.567 178.148 177.584 -0.006 0.000 0.953 481 A CA -0.251 51.785 52.037 -0.002 0.000 1.047 481 A CB 0.177 19.193 19.000 0.026 0.000 1.147 481 A HN 0.096 nan 8.150 nan 0.000 0.489 482 E N -0.988 119.206 120.200 -0.010 0.000 2.389 482 E HA -0.217 4.134 4.350 0.001 0.000 0.243 482 E C 1.148 177.746 176.600 -0.003 0.000 1.154 482 E CA 0.908 57.306 56.400 -0.004 0.000 0.723 482 E CB -1.880 27.821 29.700 0.002 0.000 1.261 482 E HN 0.861 nan 8.360 nan 0.000 0.390 483 G N 0.768 109.560 108.800 -0.013 0.000 2.421 483 G HA2 -0.258 3.703 3.960 0.001 0.000 0.216 483 G HA3 -0.258 3.703 3.960 0.001 0.000 0.216 483 G C 0.611 175.513 174.900 0.004 0.000 1.171 483 G CA 0.705 45.794 45.100 -0.018 0.000 0.775 483 G HN 0.342 nan 8.290 nan 0.000 0.543 484 K N 0.046 120.457 120.400 0.018 0.000 3.689 484 K HA -0.154 4.167 4.320 0.001 0.000 0.276 484 K C -1.615 175.028 176.600 0.071 0.000 0.932 484 K CA 0.300 56.613 56.287 0.043 0.000 0.758 484 K CB -0.364 32.162 32.500 0.043 0.000 1.500 484 K HN 0.341 nan 8.250 nan 0.000 0.448 485 P HA -0.196 nan 4.420 nan 0.000 0.220 485 P C 1.196 178.642 177.300 0.243 0.000 1.144 485 P CA 0.932 64.153 63.100 0.203 0.000 0.800 485 P CB 0.154 32.020 31.700 0.275 0.000 0.772 486 V N 0.767 120.765 119.914 0.139 0.000 2.490 486 V HA -0.192 3.929 4.120 0.001 0.000 0.250 486 V C 2.595 178.721 176.094 0.054 0.000 1.061 486 V CA 1.752 64.099 62.300 0.077 0.000 1.064 486 V CB -1.004 30.844 31.823 0.042 0.000 0.670 486 V HN 0.108 nan 8.190 nan 0.000 0.461 487 E N 0.187 120.437 120.200 0.082 0.000 2.072 487 E HA -0.138 4.213 4.350 0.001 0.000 0.191 487 E C 2.330 179.009 176.600 0.131 0.000 0.985 487 E CA 1.161 57.623 56.400 0.103 0.000 0.801 487 E CB -0.564 29.206 29.700 0.116 0.000 0.750 487 E HN 0.499 nan 8.360 nan 0.000 0.452 488 V N 1.704 121.711 119.914 0.156 0.000 2.343 488 V HA -0.230 3.890 4.120 0.001 0.000 0.247 488 V C 2.555 178.753 176.094 0.173 0.000 1.051 488 V CA 1.360 63.780 62.300 0.200 0.000 1.036 488 V CB -0.614 31.375 31.823 0.275 0.000 0.654 488 V HN 0.179 nan 8.190 nan 0.000 0.451 489 L N -0.538 120.761 121.223 0.127 0.000 2.083 489 L HA -0.198 4.143 4.340 0.001 0.000 0.209 489 L C 2.604 179.429 176.870 -0.074 0.000 1.083 489 L CA 1.686 56.518 54.840 -0.013 0.000 0.752 489 L CB -0.657 41.355 42.059 -0.078 0.000 0.899 489 L HN 0.282 nan 8.230 nan 0.000 0.433 490 K N -0.535 119.778 120.400 -0.145 0.000 2.097 490 K HA -0.125 4.196 4.320 0.001 0.000 0.206 490 K C 2.095 178.506 176.600 -0.314 0.000 1.049 490 K CA 1.769 57.805 56.287 -0.417 0.000 0.933 490 K CB -0.210 31.815 32.500 -0.793 0.000 0.717 490 K HN 0.297 nan 8.250 nan 0.000 0.442 491 T N 1.599 116.180 114.554 0.045 0.000 2.777 491 T HA -0.075 4.275 4.350 0.001 0.000 0.266 491 T C 1.907 176.699 174.700 0.153 0.000 1.040 491 T CA 0.999 63.273 62.100 0.290 0.000 1.141 491 T CB -0.154 68.874 68.868 0.266 0.000 0.868 491 T HN 0.113 nan 8.240 nan 0.000 0.444 492 I N 0.986 121.607 120.570 0.085 0.000 2.163 492 I HA -0.190 3.981 4.170 0.001 0.000 0.243 492 I C 2.744 178.876 176.117 0.026 0.000 1.085 492 I CA 1.447 62.780 61.300 0.055 0.000 1.347 492 I CB -0.291 37.738 38.000 0.048 0.000 1.044 492 I HN 0.313 nan 8.210 nan 0.000 0.408 493 E N 0.551 120.754 120.200 0.005 0.000 2.077 493 E HA -0.268 4.083 4.350 0.001 0.000 0.193 493 E C 2.169 178.793 176.600 0.039 0.000 0.989 493 E CA 1.261 57.658 56.400 -0.005 0.000 0.800 493 E CB -0.089 29.581 29.700 -0.050 0.000 0.746 493 E HN 0.397 nan 8.360 nan 0.000 0.452 494 F N 1.214 121.128 119.950 -0.060 0.000 2.075 494 F HA -0.140 4.387 4.527 0.001 0.000 0.297 494 F C 1.948 177.658 175.800 -0.149 0.000 1.113 494 F CA 1.489 59.470 58.000 -0.031 0.000 1.218 494 F CB -0.280 38.808 39.000 0.147 0.000 0.984 494 F HN -0.005 nan 8.300 nan 0.000 0.472 495 I N -0.472 119.931 120.570 -0.278 0.000 2.163 495 I HA -0.361 3.810 4.170 0.001 0.000 0.243 495 I C 2.477 178.500 176.117 -0.156 0.000 1.085 495 I CA 1.572 62.595 61.300 -0.461 0.000 1.347 495 I CB -0.826 36.961 38.000 -0.356 0.000 1.044 495 I HN 0.076 nan 8.210 nan 0.000 0.408 496 S N 0.659 116.320 115.700 -0.065 0.000 2.365 496 S HA -0.239 4.232 4.470 0.001 0.000 0.225 496 S C 2.162 176.731 174.600 -0.052 0.000 1.039 496 S CA 1.908 60.098 58.200 -0.017 0.000 1.033 496 S CB -0.551 62.647 63.200 -0.003 0.000 0.887 496 S HN 0.669 nan 8.310 nan 0.000 0.447 497 S N 1.446 117.081 115.700 -0.108 0.000 2.442 497 S HA -0.036 4.434 4.470 0.001 0.000 0.236 497 S C 1.393 175.912 174.600 -0.133 0.000 1.007 497 S CA 0.781 58.912 58.200 -0.114 0.000 0.965 497 S CB -0.265 62.865 63.200 -0.115 0.000 0.773 497 S HN 0.338 nan 8.310 nan 0.000 0.504 498 K N 0.727 121.028 120.400 -0.165 0.000 2.404 498 K HA 0.234 4.555 4.320 0.001 0.000 0.194 498 K C 1.271 177.904 176.600 0.055 0.000 1.023 498 K CA 0.566 56.845 56.287 -0.013 0.000 1.094 498 K CB -0.051 32.488 32.500 0.065 0.000 0.841 498 K HN 0.608 nan 8.250 nan 0.000 0.523 499 G N 1.546 110.329 108.800 -0.029 0.000 2.141 499 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 499 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 499 G C -0.181 174.558 174.900 -0.269 0.000 0.982 499 G CA -0.267 44.738 45.100 -0.158 0.000 0.662 499 G HN 0.207 nan 8.290 nan 0.000 0.527 500 F N 0.797 120.765 119.950 0.031 0.000 2.422 500 F HA 0.518 5.046 4.527 0.001 0.000 0.333 500 F C 0.867 176.671 175.800 0.006 0.000 1.095 500 F CA -0.954 57.093 58.000 0.079 0.000 1.038 500 F CB 1.099 40.298 39.000 0.331 0.000 1.156 500 F HN 0.024 nan 8.300 nan 0.000 0.483 501 N N 0.214 118.943 118.700 0.048 0.000 2.482 501 N HA 0.400 5.140 4.740 0.001 0.000 0.260 501 N C -0.616 174.917 175.510 0.039 0.000 1.236 501 N CA 0.039 53.045 53.050 -0.073 0.000 0.938 501 N CB 0.739 38.960 38.487 -0.444 0.000 1.128 501 N HN 0.654 nan 8.380 nan 0.000 0.448 502 T N -2.377 112.208 114.554 0.052 0.000 2.906 502 T HA 0.673 5.024 4.350 0.001 0.000 0.295 502 T C -0.388 174.358 174.700 0.077 0.000 1.075 502 T CA -0.850 61.310 62.100 0.101 0.000 1.005 502 T CB 2.045 70.989 68.868 0.126 0.000 1.136 502 T HN 0.340 nan 8.240 nan 0.000 0.498 503 T N 0.055 114.662 114.554 0.089 0.000 2.816 503 T HA 0.737 5.087 4.350 0.001 0.000 0.299 503 T C -1.525 173.240 174.700 0.109 0.000 1.230 503 T CA -0.297 61.854 62.100 0.085 0.000 1.007 503 T CB 1.521 70.416 68.868 0.045 0.000 1.289 503 T HN 1.483 nan 8.240 nan 0.000 0.508 504 V N -0.509 119.475 119.914 0.116 0.000 3.049 504 V HA 0.949 5.070 4.120 0.001 0.000 0.309 504 V C 0.147 176.277 176.094 0.061 0.000 1.148 504 V CA -0.728 61.634 62.300 0.105 0.000 0.990 504 V CB 1.719 33.653 31.823 0.185 0.000 1.039 504 V HN 1.122 nan 8.190 nan 0.000 0.430 505 G N 1.539 110.346 108.800 0.011 0.000 2.770 505 G HA2 0.411 4.372 3.960 0.001 0.000 0.307 505 G HA3 0.411 4.372 3.960 0.001 0.000 0.307 505 G C 0.360 175.246 174.900 -0.023 0.000 0.863 505 G CA -0.103 44.988 45.100 -0.016 0.000 1.595 505 G HN 1.032 nan 8.290 nan 0.000 0.496 506 L N 2.798 124.034 121.223 0.022 0.000 2.012 506 L HA -0.125 4.216 4.340 0.001 0.000 0.210 506 L C 2.682 179.543 176.870 -0.015 0.000 1.073 506 L CA 2.256 57.114 54.840 0.029 0.000 0.748 506 L CB -0.282 41.842 42.059 0.108 0.000 0.891 506 L HN 0.384 nan 8.230 nan 0.000 0.431 507 S N -0.497 115.203 115.700 0.000 0.000 2.507 507 S HA -0.127 4.344 4.470 0.001 0.000 0.235 507 S C 1.685 176.287 174.600 0.003 0.000 0.988 507 S CA 0.954 59.160 58.200 0.010 0.000 0.944 507 S CB -0.623 62.588 63.200 0.018 0.000 0.762 507 S HN 0.543 nan 8.310 nan 0.000 0.526 508 N N 1.996 120.670 118.700 -0.044 0.000 2.244 508 N HA 0.014 4.755 4.740 0.001 0.000 0.183 508 N C 1.643 177.126 175.510 -0.045 0.000 1.016 508 N CA 0.461 53.476 53.050 -0.059 0.000 0.866 508 N CB -0.451 37.967 38.487 -0.116 0.000 0.980 508 N HN 0.245 nan 8.380 nan 0.000 0.430 509 L N 0.403 121.553 121.223 -0.121 0.000 2.064 509 L HA -0.187 4.154 4.340 0.001 0.000 0.216 509 L C 1.001 177.810 176.870 -0.103 0.000 1.077 509 L CA 2.322 57.059 54.840 -0.172 0.000 0.766 509 L CB -0.975 40.910 42.059 -0.290 0.000 0.890 509 L HN 0.390 nan 8.230 nan 0.000 0.435 510 S N -2.084 113.593 115.700 -0.039 0.000 2.601 510 S HA 0.076 4.546 4.470 0.001 0.000 0.244 510 S C 0.252 174.848 174.600 -0.006 0.000 1.001 510 S CA -0.792 57.371 58.200 -0.062 0.000 0.984 510 S CB -0.793 62.428 63.200 0.035 0.000 0.842 510 S HN 0.302 nan 8.310 nan 0.000 0.474 511 F N 2.891 122.780 119.950 -0.101 0.000 2.541 511 F HA 0.477 5.005 4.527 0.001 0.000 0.378 511 F C 1.386 177.138 175.800 -0.081 0.000 1.068 511 F CA 1.361 59.314 58.000 -0.078 0.000 1.199 511 F CB -0.043 38.912 39.000 -0.076 0.000 1.091 511 F HN 0.408 nan 8.300 nan 0.000 0.555 512 G N 5.205 113.584 108.800 -0.701 0.000 2.241 512 G HA2 -0.266 3.694 3.960 0.001 0.000 0.244 512 G HA3 -0.266 3.694 3.960 0.001 0.000 0.244 512 G C 0.006 174.726 174.900 -0.299 0.000 0.998 512 G CA 0.131 44.856 45.100 -0.626 0.000 0.621 512 G HN 0.722 nan 8.290 nan 0.000 0.519 513 L N 2.324 123.416 121.223 -0.219 0.000 2.421 513 L HA 0.536 4.877 4.340 0.001 0.000 0.263 513 L C -1.243 175.607 176.870 -0.033 0.000 1.122 513 L CA -2.043 52.713 54.840 -0.140 0.000 0.804 513 L CB 0.614 42.521 42.059 -0.252 0.000 1.150 513 L HN 0.040 nan 8.230 nan 0.000 0.457 514 P HA 0.143 nan 4.420 nan 0.000 0.278 514 P C -0.853 176.574 177.300 0.212 0.000 1.266 514 P CA -0.260 62.896 63.100 0.093 0.000 0.807 514 P CB 0.654 32.399 31.700 0.075 0.000 1.094 515 D N -0.399 120.128 120.400 0.211 0.000 2.708 515 D HA -0.180 4.461 4.640 0.001 0.000 0.236 515 D C 1.427 177.941 176.300 0.356 0.000 1.146 515 D CA 0.808 55.008 54.000 0.333 0.000 0.662 515 D CB -0.851 40.146 40.800 0.329 0.000 1.059 515 D HN 0.581 nan 8.370 nan 0.000 0.428 516 R N -0.497 120.137 120.500 0.224 0.000 2.120 516 R HA -0.097 4.244 4.340 0.001 0.000 0.234 516 R C 2.065 178.436 176.300 0.119 0.000 1.123 516 R CA 1.511 57.739 56.100 0.214 0.000 0.975 516 R CB -0.493 29.868 30.300 0.101 0.000 0.866 516 R HN 0.121 nan 8.270 nan 0.000 0.446 517 S N 0.526 116.187 115.700 -0.066 0.000 2.387 517 S HA -0.179 4.292 4.470 0.001 0.000 0.230 517 S C 1.618 176.026 174.600 -0.320 0.000 1.035 517 S CA 1.122 59.163 58.200 -0.265 0.000 1.014 517 S CB -0.287 62.622 63.200 -0.485 0.000 0.836 517 S HN 0.587 nan 8.310 nan 0.000 0.466 518 Y N -0.723 119.585 120.300 0.013 0.000 2.286 518 Y HA 0.073 4.624 4.550 0.001 0.000 0.293 518 Y C 2.120 177.963 175.900 -0.095 0.000 1.124 518 Y CA 1.099 59.152 58.100 -0.078 0.000 1.178 518 Y CB -0.593 37.765 38.460 -0.171 0.000 1.010 518 Y HN 0.290 nan 8.280 nan 0.000 0.536 519 Y N 0.428 120.821 120.300 0.155 0.000 2.163 519 Y HA -0.237 4.314 4.550 0.001 0.000 0.288 519 Y C 2.157 178.125 175.900 0.114 0.000 1.136 519 Y CA 1.186 59.357 58.100 0.118 0.000 1.147 519 Y CB -0.427 38.083 38.460 0.082 0.000 0.987 519 Y HN 0.114 nan 8.280 nan 0.000 0.509 520 N N -0.571 118.267 118.700 0.229 0.000 2.069 520 N HA -0.157 4.584 4.740 0.001 0.000 0.191 520 N C 1.788 177.388 175.510 0.151 0.000 1.031 520 N CA 2.024 55.170 53.050 0.161 0.000 0.852 520 N CB -0.965 37.572 38.487 0.085 0.000 1.018 520 N HN 0.285 nan 8.380 nan 0.000 0.423 521 T N 1.072 115.675 114.554 0.081 0.000 2.674 521 T HA -0.059 4.292 4.350 0.001 0.000 0.265 521 T C 2.002 176.740 174.700 0.064 0.000 1.039 521 T CA 1.531 63.658 62.100 0.044 0.000 1.150 521 T CB -0.495 68.376 68.868 0.005 0.000 0.864 521 T HN 0.357 nan 8.240 nan 0.000 0.427 522 A N 1.011 123.885 122.820 0.090 0.000 1.883 522 A HA -0.092 4.229 4.320 0.001 0.000 0.217 522 A C 2.058 179.699 177.584 0.095 0.000 1.186 522 A CA 1.648 53.731 52.037 0.077 0.000 0.624 522 A CB -1.061 17.986 19.000 0.078 0.000 0.822 522 A HN 0.496 nan 8.150 nan 0.000 0.444 523 F N -0.162 119.820 119.950 0.052 0.000 2.146 523 F HA -0.101 4.427 4.527 0.001 0.000 0.298 523 F C 1.871 177.685 175.800 0.024 0.000 1.096 523 F CA 1.605 59.634 58.000 0.049 0.000 1.275 523 F CB -0.206 38.838 39.000 0.073 0.000 1.008 523 F HN 0.208 nan 8.300 nan 0.000 0.480 524 L N -0.101 121.203 121.223 0.136 0.000 2.042 524 L HA -0.168 4.173 4.340 0.001 0.000 0.210 524 L C 2.198 178.980 176.870 -0.147 0.000 1.076 524 L CA 1.643 56.491 54.840 0.013 0.000 0.749 524 L CB -0.923 41.155 42.059 0.032 0.000 0.893 524 L HN 0.067 nan 8.230 nan 0.000 0.432 525 V N -0.553 119.287 119.914 -0.123 0.000 2.307 525 V HA -0.297 3.823 4.120 0.001 0.000 0.245 525 V C 2.544 178.535 176.094 -0.170 0.000 1.045 525 V CA 1.965 64.181 62.300 -0.141 0.000 1.024 525 V CB -0.533 31.236 31.823 -0.091 0.000 0.651 525 V HN 0.420 nan 8.190 nan 0.000 0.449 526 L N 0.329 121.430 121.223 -0.204 0.000 2.017 526 L HA -0.114 4.227 4.340 0.001 0.000 0.208 526 L C 2.667 179.349 176.870 -0.313 0.000 1.073 526 L CA 1.861 56.554 54.840 -0.245 0.000 0.745 526 L CB -1.192 40.704 42.059 -0.272 0.000 0.894 526 L HN 0.476 nan 8.230 nan 0.000 0.432 527 G N 0.259 108.777 108.800 -0.470 0.000 2.446 527 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 527 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 527 G C 1.578 176.389 174.900 -0.149 0.000 1.168 527 G CA 0.835 45.719 45.100 -0.361 0.000 0.771 527 G HN 0.294 nan 8.290 nan 0.000 0.551 528 I N 1.791 122.278 120.570 -0.139 0.000 2.208 528 I HA -0.232 3.939 4.170 0.001 0.000 0.245 528 I C 3.140 179.212 176.117 -0.075 0.000 1.097 528 I CA 1.577 62.819 61.300 -0.095 0.000 1.363 528 I CB -0.222 37.650 38.000 -0.214 0.000 1.051 528 I HN 0.363 nan 8.210 nan 0.000 0.413 529 S N 0.473 116.111 115.700 -0.103 0.000 2.442 529 S HA -0.124 4.347 4.470 0.001 0.000 0.236 529 S C 1.760 176.321 174.600 -0.065 0.000 1.007 529 S CA 0.825 58.977 58.200 -0.079 0.000 0.965 529 S CB -0.133 63.014 63.200 -0.088 0.000 0.773 529 S HN 0.292 nan 8.310 nan 0.000 0.504 530 K N 0.548 120.904 120.400 -0.074 0.000 2.374 530 K HA 0.332 4.653 4.320 0.001 0.000 0.196 530 K C 1.367 177.953 176.600 -0.024 0.000 1.023 530 K CA 0.635 56.888 56.287 -0.058 0.000 1.103 530 K CB 0.151 32.602 32.500 -0.082 0.000 0.848 530 K HN 0.591 nan 8.250 nan 0.000 0.528 531 G N 1.186 109.984 108.800 -0.004 0.000 2.192 531 G HA2 -0.208 3.753 3.960 0.001 0.000 0.193 531 G HA3 -0.208 3.753 3.960 0.001 0.000 0.193 531 G C -0.208 174.734 174.900 0.072 0.000 0.999 531 G CA -0.250 44.868 45.100 0.029 0.000 0.659 531 G HN 0.202 nan 8.290 nan 0.000 0.503 532 L N 2.695 123.969 121.223 0.085 0.000 2.601 532 L HA 0.458 4.799 4.340 0.001 0.000 0.277 532 L C 1.596 178.617 176.870 0.253 0.000 1.219 532 L CA 1.588 56.525 54.840 0.161 0.000 0.915 532 L CB 0.738 42.906 42.059 0.182 0.000 1.160 532 L HN 0.524 nan 8.230 nan 0.000 0.494 533 S N 1.086 116.884 115.700 0.164 0.000 2.524 533 S HA 0.294 4.765 4.470 0.001 0.000 0.215 533 S C 0.435 174.875 174.600 -0.266 0.000 0.986 533 S CA 0.140 58.388 58.200 0.080 0.000 0.911 533 S CB -0.251 63.000 63.200 0.083 0.000 0.805 533 S HN 0.850 nan 8.310 nan 0.000 0.501 534 S N -0.239 115.272 115.700 -0.315 0.000 2.611 534 S HA 0.834 5.305 4.470 0.001 0.000 0.268 534 S C -1.374 173.077 174.600 -0.248 0.000 1.156 534 S CA -0.487 57.267 58.200 -0.743 0.000 0.817 534 S CB 1.155 64.222 63.200 -0.222 0.000 1.122 534 S HN 1.191 nan 8.310 nan 0.000 0.466 535 A N 0.616 123.333 122.820 -0.172 0.000 2.566 535 A HA 0.719 5.040 4.320 0.001 0.000 0.297 535 A C -1.211 176.407 177.584 0.057 0.000 1.059 535 A CA -0.804 51.296 52.037 0.106 0.000 0.691 535 A CB 0.870 20.073 19.000 0.339 0.000 1.282 535 A HN 0.901 nan 8.150 nan 0.000 0.401 536 I N 3.032 123.632 120.570 0.051 0.000 2.337 536 I HA 0.498 4.669 4.170 0.001 0.000 0.291 536 I C 0.363 176.507 176.117 0.045 0.000 1.046 536 I CA 0.379 61.694 61.300 0.026 0.000 1.324 536 I CB 0.367 38.365 38.000 -0.004 0.000 1.409 536 I HN 0.836 nan 8.210 nan 0.000 0.494 537 M N 4.155 123.782 119.600 0.046 0.000 2.949 537 M HA 0.467 4.948 4.480 0.001 0.000 0.270 537 M C -1.492 174.832 176.300 0.040 0.000 1.221 537 M CA -0.975 54.360 55.300 0.059 0.000 0.818 537 M CB 1.849 34.514 32.600 0.108 0.000 1.635 537 M HN 0.214 nan 8.290 nan 0.000 0.492 538 N N 2.411 121.132 118.700 0.035 0.000 2.500 538 N HA 0.414 5.155 4.740 0.001 0.000 0.236 538 N C -2.130 173.395 175.510 0.024 0.000 1.022 538 N CA -2.002 51.061 53.050 0.022 0.000 0.935 538 N CB 0.933 39.428 38.487 0.013 0.000 1.147 538 N HN 0.451 nan 8.380 nan 0.000 0.512 539 P HA -0.033 nan 4.420 nan 0.000 0.237 539 P C 0.782 178.092 177.300 0.017 0.000 1.178 539 P CA 0.366 63.483 63.100 0.027 0.000 0.766 539 P CB 0.478 32.196 31.700 0.030 0.000 0.876 540 L N -0.415 120.815 121.223 0.011 0.000 2.558 540 L HA 0.151 4.491 4.340 0.001 0.000 0.225 540 L C 0.901 177.769 176.870 -0.002 0.000 1.128 540 L CA 0.692 55.536 54.840 0.007 0.000 0.868 540 L CB -1.023 41.040 42.059 0.008 0.000 1.006 540 L HN -0.105 nan 8.230 nan 0.000 0.454 541 D N 0.254 120.649 120.400 -0.008 0.000 2.374 541 D HA -0.013 4.628 4.640 0.001 0.000 0.240 541 D C 1.120 177.403 176.300 -0.028 0.000 1.229 541 D CA 0.247 54.230 54.000 -0.028 0.000 0.895 541 D CB 0.750 41.526 40.800 -0.039 0.000 1.046 541 D HN 0.252 nan 8.370 nan 0.000 0.498 542 E N 1.451 121.636 120.200 -0.026 0.000 2.085 542 E HA -0.152 4.198 4.350 0.001 0.000 0.194 542 E C 1.384 177.969 176.600 -0.025 0.000 0.994 542 E CA 1.228 57.617 56.400 -0.018 0.000 0.801 542 E CB 0.301 29.995 29.700 -0.009 0.000 0.743 542 E HN 0.506 nan 8.360 nan 0.000 0.453 543 T N 1.778 116.303 114.554 -0.047 0.000 2.652 543 T HA -0.196 4.154 4.350 0.001 0.000 0.267 543 T C 1.840 176.508 174.700 -0.053 0.000 1.039 543 T CA 1.134 63.201 62.100 -0.055 0.000 1.153 543 T CB -0.373 68.416 68.868 -0.133 0.000 0.863 543 T HN 0.042 nan 8.240 nan 0.000 0.428 544 L N 0.831 122.013 121.223 -0.068 0.000 1.990 544 L HA -0.081 4.259 4.340 0.001 0.000 0.213 544 L C 2.272 179.125 176.870 -0.028 0.000 1.072 544 L CA 1.899 56.713 54.840 -0.044 0.000 0.755 544 L CB -0.671 41.369 42.059 -0.032 0.000 0.889 544 L HN 0.194 nan 8.230 nan 0.000 0.432 545 M N -0.941 118.650 119.600 -0.016 0.000 2.132 545 M HA -0.170 4.311 4.480 0.001 0.000 0.263 545 M C 2.230 178.522 176.300 -0.012 0.000 1.065 545 M CA 1.533 56.830 55.300 -0.005 0.000 1.122 545 M CB -0.976 31.629 32.600 0.008 0.000 1.365 545 M HN 0.260 nan 8.290 nan 0.000 0.411 546 K N -0.511 119.881 120.400 -0.013 0.000 2.097 546 K HA -0.072 4.249 4.320 0.001 0.000 0.205 546 K C 1.954 178.542 176.600 -0.021 0.000 1.050 546 K CA 1.626 57.905 56.287 -0.012 0.000 0.938 546 K CB -0.220 32.276 32.500 -0.006 0.000 0.718 546 K HN 0.309 nan 8.250 nan 0.000 0.442 547 T N 1.895 116.434 114.554 -0.026 0.000 2.904 547 T HA -0.096 4.255 4.350 0.001 0.000 0.267 547 T C 1.713 176.376 174.700 -0.061 0.000 1.059 547 T CA 0.722 62.802 62.100 -0.034 0.000 1.137 547 T CB -0.126 68.727 68.868 -0.025 0.000 0.879 547 T HN 0.094 nan 8.240 nan 0.000 0.467 548 L N 2.084 123.262 121.223 -0.075 0.000 1.994 548 L HA -0.042 4.298 4.340 0.001 0.000 0.208 548 L C 2.132 178.940 176.870 -0.103 0.000 1.071 548 L CA 1.768 56.531 54.840 -0.128 0.000 0.745 548 L CB -0.842 41.140 42.059 -0.128 0.000 0.892 548 L HN 0.188 nan 8.230 nan 0.000 0.431 549 N N -0.463 118.206 118.700 -0.053 0.000 2.104 549 N HA -0.216 4.525 4.740 0.001 0.000 0.190 549 N C 1.770 177.260 175.510 -0.035 0.000 1.024 549 N CA 1.433 54.464 53.050 -0.031 0.000 0.853 549 N CB -0.006 38.474 38.487 -0.011 0.000 1.008 549 N HN 0.553 nan 8.380 nan 0.000 0.424 550 A N 0.326 123.124 122.820 -0.036 0.000 1.902 550 A HA -0.124 4.197 4.320 0.001 0.000 0.217 550 A C 2.344 179.902 177.584 -0.044 0.000 1.181 550 A CA 2.023 54.040 52.037 -0.033 0.000 0.623 550 A CB -1.087 17.896 19.000 -0.028 0.000 0.818 550 A HN 0.373 nan 8.150 nan 0.000 0.443 551 T N 0.656 115.171 114.554 -0.065 0.000 2.684 551 T HA -0.130 4.221 4.350 0.001 0.000 0.267 551 T C 1.810 176.467 174.700 -0.071 0.000 1.036 551 T CA 1.633 63.685 62.100 -0.080 0.000 1.148 551 T CB -0.447 68.347 68.868 -0.124 0.000 0.863 551 T HN 0.384 nan 8.240 nan 0.000 0.436 552 L N 0.682 121.861 121.223 -0.073 0.000 2.083 552 L HA -0.077 4.264 4.340 0.001 0.000 0.209 552 L C 2.668 179.526 176.870 -0.020 0.000 1.083 552 L CA 0.734 55.549 54.840 -0.041 0.000 0.752 552 L CB -0.757 41.289 42.059 -0.022 0.000 0.899 552 L HN 0.144 nan 8.230 nan 0.000 0.433 553 V N 0.318 120.219 119.914 -0.021 0.000 2.261 553 V HA -0.299 3.822 4.120 0.001 0.000 0.246 553 V C 2.345 178.429 176.094 -0.016 0.000 1.047 553 V CA 1.964 64.255 62.300 -0.014 0.000 1.015 553 V CB -0.328 31.486 31.823 -0.014 0.000 0.642 553 V HN 0.301 nan 8.190 nan 0.000 0.446 554 I N -0.362 120.194 120.570 -0.023 0.000 2.208 554 I HA -0.252 3.919 4.170 0.001 0.000 0.245 554 I C 1.930 178.035 176.117 -0.021 0.000 1.097 554 I CA 1.653 62.940 61.300 -0.022 0.000 1.363 554 I CB -0.213 37.770 38.000 -0.028 0.000 1.051 554 I HN 0.251 nan 8.210 nan 0.000 0.413 555 L N 0.258 121.467 121.223 -0.024 0.000 2.612 555 L HA 0.072 4.413 4.340 0.001 0.000 0.230 555 L C 0.317 177.182 176.870 -0.009 0.000 1.140 555 L CA 0.237 55.066 54.840 -0.019 0.000 0.896 555 L CB -0.437 41.606 42.059 -0.027 0.000 1.065 555 L HN 0.271 nan 8.230 nan 0.000 0.447 556 E N -0.684 119.512 120.200 -0.006 0.000 2.637 556 E HA -0.217 4.133 4.350 0.001 0.000 0.265 556 E C 0.566 177.171 176.600 0.008 0.000 1.073 556 E CA 0.132 56.532 56.400 -0.000 0.000 0.778 556 E CB -0.763 28.936 29.700 -0.001 0.000 1.362 556 E HN 0.395 nan 8.360 nan 0.000 0.413 557 K N 0.441 120.848 120.400 0.012 0.000 2.356 557 K HA 0.070 4.391 4.320 0.001 0.000 0.195 557 K C 0.834 177.452 176.600 0.030 0.000 1.037 557 K CA 0.895 57.200 56.287 0.031 0.000 1.014 557 K CB 0.343 32.870 32.500 0.046 0.000 0.815 557 K HN 0.466 nan 8.250 nan 0.000 0.507 558 K N -0.238 120.171 120.400 0.015 0.000 2.575 558 K HA 0.334 4.655 4.320 0.001 0.000 0.279 558 K C -1.041 175.560 176.600 0.002 0.000 0.969 558 K CA -0.801 55.492 56.287 0.009 0.000 0.868 558 K CB 1.765 34.273 32.500 0.014 0.000 1.457 558 K HN -0.255 nan 8.250 nan 0.000 0.426 559 E N 1.206 121.406 120.200 -0.001 0.000 2.345 559 E HA 0.191 4.542 4.350 0.001 0.000 0.259 559 E C 0.019 176.617 176.600 -0.004 0.000 1.117 559 E CA -0.761 55.638 56.400 -0.003 0.000 0.913 559 E CB 0.782 30.480 29.700 -0.004 0.000 1.057 559 E HN 0.319 nan 8.360 nan 0.000 0.432 560 L N 0.000 121.221 121.223 -0.004 0.000 2.949 560 L HA 0.000 4.341 4.340 0.001 0.000 0.249 560 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 560 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502