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 2v9k_1_A DATA FIRST_RESID 0 DATA SEQUENCE GMFPLTEENK HVAQLLLNTG TCPRCIFRFC GVDFHAPYKL PYKELLNELQ DATA SEQUENCE KFLETXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXNVC NVCLGILQEF CEKDFIKKVC QKVEASGFEF TSLVFSVSFP DATA SEQUENCE PQLSVREHAA WLLVKQEMGK QSLSLGRDDI VQLKEAYKWI THPLFSEELG DATA SEQUENCE VPIDGKSLFE VSVVFAHPET VEDCHFLAAI CPDCXXXXXX XXXXFTRMAV DATA SEQUENCE MKALNKIKEE DFLKQFPCPP NSPKAVCAVL EIECAHGAVF VAGRYNKYSR DATA SEQUENCE NLPQTPWIID GERKLESSVE ELISDHLLAV FKAESFNFSS SGREDVDVRT DATA SEQUENCE LGNGRPFAIE LVNPHRVHFT SQEIKELQQK INNSSNKIQV RDLQLVTREA DATA SEQUENCE IGHMKEGEEE KTKTYSALIW TNKAIQKKDI EFLNDIKDLK IDQKTPLRVL DATA SEQUENCE HRRPLAVRAR VIHFMETQYV DEHHFRLHLK TQAGTYIKEF VHGDFGRTKP DATA SEQUENCE NIGSLMNVTA DILELDVESV DVDWPPALD 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.997 3.960 0.061 0.000 0.244 0 G C 0.000 174.929 174.900 0.048 0.000 0.946 0 G CA 0.000 45.133 45.100 0.054 0.000 0.502 1 M N 1.542 121.154 119.600 0.020 0.000 2.197 1 M HA 0.693 5.210 4.480 0.061 0.000 0.301 1 M C -1.413 174.906 176.300 0.032 0.000 0.987 1 M CA -0.962 54.361 55.300 0.039 0.000 0.921 1 M CB 1.879 34.475 32.600 -0.007 0.000 1.569 1 M HN 0.057 nan 8.290 nan 0.000 0.431 2 F N 7.248 127.159 119.950 -0.065 0.000 2.590 2 F HA 0.224 4.787 4.527 0.061 0.000 0.389 2 F C -1.554 174.119 175.800 -0.211 0.000 1.049 2 F CA -0.838 57.089 58.000 -0.122 0.000 1.199 2 F CB 0.626 39.566 39.000 -0.100 0.000 1.058 2 F HN 0.561 nan 8.300 nan 0.000 0.556 3 P HA -0.114 nan 4.420 nan 0.000 0.221 3 P C -0.238 176.766 177.300 -0.493 0.000 1.145 3 P CA 1.152 63.862 63.100 -0.649 0.000 0.795 3 P CB 0.081 31.160 31.700 -1.035 0.000 0.775 4 L N -0.515 120.346 121.223 -0.604 0.000 2.334 4 L HA 0.288 4.664 4.340 0.061 0.000 0.277 4 L C 1.070 177.896 176.870 -0.073 0.000 1.075 4 L CA -0.689 53.931 54.840 -0.367 0.000 0.804 4 L CB 1.050 42.767 42.059 -0.569 0.000 1.174 4 L HN -0.041 nan 8.230 nan 0.000 0.438 5 T N -2.808 111.829 114.554 0.138 0.000 2.897 5 T HA 0.152 4.538 4.350 0.061 0.000 0.278 5 T C 0.854 175.803 174.700 0.414 0.000 0.981 5 T CA -0.719 61.535 62.100 0.256 0.000 0.973 5 T CB 1.775 70.732 68.868 0.148 0.000 1.092 5 T HN 0.578 nan 8.240 nan 0.000 0.543 6 E N 0.629 120.993 120.200 0.273 0.000 2.160 6 E HA -0.177 4.209 4.350 0.061 0.000 0.195 6 E C 2.503 179.175 176.600 0.119 0.000 0.991 6 E CA 1.873 58.361 56.400 0.146 0.000 0.810 6 E CB -0.572 29.164 29.700 0.059 0.000 0.742 6 E HN 0.930 nan 8.360 nan 0.000 0.466 7 E N 0.831 121.117 120.200 0.143 0.000 2.153 7 E HA -0.188 4.199 4.350 0.061 0.000 0.194 7 E C 1.614 178.321 176.600 0.179 0.000 0.988 7 E CA 1.583 58.068 56.400 0.141 0.000 0.811 7 E CB -1.123 28.652 29.700 0.125 0.000 0.746 7 E HN 0.530 nan 8.360 nan 0.000 0.466 8 N N -0.608 118.234 118.700 0.237 0.000 2.494 8 N HA -0.005 4.772 4.740 0.061 0.000 0.182 8 N C 1.825 177.521 175.510 0.309 0.000 1.076 8 N CA 0.452 53.665 53.050 0.271 0.000 0.908 8 N CB 0.133 38.781 38.487 0.268 0.000 0.967 8 N HN 0.304 nan 8.380 nan 0.000 0.449 9 K N 0.524 121.073 120.400 0.249 0.000 2.020 9 K HA -0.205 4.152 4.320 0.061 0.000 0.212 9 K C 1.412 178.040 176.600 0.048 0.000 1.050 9 K CA 1.513 57.850 56.287 0.084 0.000 0.929 9 K CB -0.265 32.099 32.500 -0.227 0.000 0.714 9 K HN 0.440 nan 8.250 nan 0.000 0.443 10 H N -0.152 118.971 119.070 0.089 0.000 2.270 10 H HA -0.117 4.476 4.556 0.061 0.000 0.299 10 H C 2.231 177.598 175.328 0.065 0.000 1.077 10 H CA 1.577 57.658 56.048 0.056 0.000 1.294 10 H CB -0.084 29.702 29.762 0.040 0.000 1.371 10 H HN -0.086 nan 8.280 nan 0.000 0.491 11 V N 0.804 120.850 119.914 0.221 0.000 2.287 11 V HA -0.318 3.838 4.120 0.061 0.000 0.248 11 V C 2.598 178.777 176.094 0.141 0.000 1.053 11 V CA 1.755 64.147 62.300 0.152 0.000 1.027 11 V CB -0.982 30.939 31.823 0.164 0.000 0.646 11 V HN 0.598 nan 8.190 nan 0.000 0.447 12 A N -0.663 122.272 122.820 0.192 0.000 1.908 12 A HA -0.322 4.035 4.320 0.061 0.000 0.218 12 A C 2.175 179.845 177.584 0.144 0.000 1.181 12 A CA 2.340 54.500 52.037 0.206 0.000 0.627 12 A CB -0.566 18.642 19.000 0.346 0.000 0.818 12 A HN 0.553 nan 8.150 nan 0.000 0.445 13 Q N -0.811 119.063 119.800 0.123 0.000 2.046 13 Q HA -0.114 4.263 4.340 0.061 0.000 0.200 13 Q C 1.894 177.925 176.000 0.051 0.000 0.975 13 Q CA 1.665 57.511 55.803 0.073 0.000 0.836 13 Q CB -0.478 28.289 28.738 0.047 0.000 0.896 13 Q HN 0.498 nan 8.270 nan 0.000 0.428 14 L N -0.175 121.082 121.223 0.056 0.000 2.017 14 L HA -0.117 4.260 4.340 0.061 0.000 0.208 14 L C 1.987 178.855 176.870 -0.002 0.000 1.073 14 L CA 1.750 56.605 54.840 0.025 0.000 0.745 14 L CB -0.838 41.234 42.059 0.022 0.000 0.894 14 L HN 0.394 nan 8.230 nan 0.000 0.432 15 L N -1.213 120.005 121.223 -0.007 0.000 2.017 15 L HA -0.258 4.118 4.340 0.061 0.000 0.208 15 L C 2.613 179.466 176.870 -0.027 0.000 1.073 15 L CA 1.622 56.434 54.840 -0.046 0.000 0.745 15 L CB -0.625 41.399 42.059 -0.059 0.000 0.894 15 L HN 0.379 nan 8.230 nan 0.000 0.432 16 L N 0.015 121.241 121.223 0.004 0.000 2.012 16 L HA -0.272 4.105 4.340 0.061 0.000 0.210 16 L C 2.337 179.204 176.870 -0.005 0.000 1.073 16 L CA 1.634 56.476 54.840 0.003 0.000 0.748 16 L CB -0.348 41.726 42.059 0.025 0.000 0.891 16 L HN 0.380 nan 8.230 nan 0.000 0.431 17 N N -0.215 118.484 118.700 -0.001 0.000 2.205 17 N HA -0.154 4.623 4.740 0.061 0.000 0.186 17 N C 1.574 177.077 175.510 -0.011 0.000 1.015 17 N CA 1.900 54.947 53.050 -0.004 0.000 0.862 17 N CB -0.407 38.081 38.487 0.000 0.000 0.986 17 N HN 0.561 nan 8.380 nan 0.000 0.429 18 T N -4.491 110.051 114.554 -0.019 0.000 3.086 18 T HA 0.431 4.818 4.350 0.061 0.000 0.250 18 T C 1.134 175.818 174.700 -0.027 0.000 1.074 18 T CA 0.323 62.409 62.100 -0.023 0.000 0.988 18 T CB 0.517 69.367 68.868 -0.029 0.000 0.988 18 T HN 0.238 nan 8.240 nan 0.000 0.530 19 G N 0.822 109.605 108.800 -0.028 0.000 2.159 19 G HA2 -0.152 3.845 3.960 0.061 0.000 0.170 19 G HA3 -0.152 3.845 3.960 0.061 0.000 0.170 19 G C 0.011 174.888 174.900 -0.039 0.000 1.007 19 G CA -0.245 44.838 45.100 -0.028 0.000 0.672 19 G HN 0.628 nan 8.290 nan 0.000 0.507 20 T N 1.347 115.872 114.554 -0.048 0.000 2.897 20 T HA 0.489 4.875 4.350 0.061 0.000 0.294 20 T C 1.313 175.987 174.700 -0.044 0.000 1.004 20 T CA 0.275 62.341 62.100 -0.056 0.000 1.106 20 T CB 1.365 70.182 68.868 -0.085 0.000 0.949 20 T HN 1.188 nan 8.240 nan 0.000 0.520 21 C N 3.114 122.388 119.300 -0.044 0.000 2.580 21 C HA 0.424 4.921 4.460 0.061 0.000 0.371 21 C C -1.128 173.810 174.990 -0.087 0.000 1.308 21 C CA -1.725 57.260 59.018 -0.055 0.000 2.428 21 C CB 0.179 27.889 27.740 -0.051 0.000 2.529 21 C HN 0.553 nan 8.230 nan 0.000 0.657 22 P HA -0.077 nan 4.420 nan 0.000 0.216 22 P C 1.677 178.650 177.300 -0.546 0.000 1.150 22 P CA 1.686 64.597 63.100 -0.314 0.000 0.837 22 P CB -0.109 31.406 31.700 -0.308 0.000 0.786 23 R N -1.031 119.277 120.500 -0.320 0.000 2.075 23 R HA -0.076 4.301 4.340 0.061 0.000 0.232 23 R C 2.289 178.654 176.300 0.109 0.000 1.126 23 R CA 1.503 57.524 56.100 -0.131 0.000 0.963 23 R CB -1.282 29.100 30.300 0.137 0.000 0.858 23 R HN 0.226 nan 8.270 nan 0.000 0.435 24 C N 0.527 119.882 119.300 0.092 0.000 2.435 24 C HA -0.016 4.481 4.460 0.061 0.000 0.279 24 C C 2.525 177.700 174.990 0.308 0.000 1.321 24 C CA 0.346 59.494 59.018 0.217 0.000 1.752 24 C CB -0.744 27.091 27.740 0.159 0.000 1.959 24 C HN 0.424 nan 8.230 nan 0.000 0.500 25 I N -0.001 120.645 120.570 0.127 0.000 2.226 25 I HA -0.208 3.999 4.170 0.061 0.000 0.245 25 I C 2.340 178.634 176.117 0.296 0.000 1.100 25 I CA 1.776 63.175 61.300 0.165 0.000 1.374 25 I CB -0.478 37.550 38.000 0.047 0.000 1.057 25 I HN 0.326 nan 8.210 nan 0.000 0.413 26 F N 0.876 120.873 119.950 0.078 0.000 2.091 26 F HA -0.284 4.280 4.527 0.061 0.000 0.299 26 F C 2.843 178.752 175.800 0.182 0.000 1.103 26 F CA 0.889 58.888 58.000 -0.001 0.000 1.228 26 F CB -0.391 38.393 39.000 -0.360 0.000 0.984 26 F HN -0.003 nan 8.300 nan 0.000 0.477 27 R N -0.233 120.552 120.500 0.476 0.000 2.083 27 R HA -0.185 4.191 4.340 0.061 0.000 0.237 27 R C 1.955 178.296 176.300 0.068 0.000 1.137 27 R CA 1.669 57.918 56.100 0.248 0.000 0.951 27 R CB -0.754 29.599 30.300 0.088 0.000 0.851 27 R HN 0.240 nan 8.270 nan 0.000 0.434 28 F N -0.482 119.570 119.950 0.171 0.000 2.604 28 F HA -0.076 4.487 4.527 0.059 0.000 0.298 28 F C 1.803 177.698 175.800 0.158 0.000 1.131 28 F CA 0.495 58.587 58.000 0.153 0.000 1.457 28 F CB 0.119 39.200 39.000 0.135 0.000 1.095 28 F HN 0.040 nan 8.300 nan 0.000 0.574 29 C N -0.139 119.339 119.300 0.297 0.000 2.754 29 C HA 0.443 4.940 4.460 0.061 0.000 0.276 29 C C 1.802 176.881 174.990 0.147 0.000 1.264 29 C CA 0.184 59.332 59.018 0.216 0.000 1.700 29 C CB -1.165 26.700 27.740 0.209 0.000 1.885 29 C HN 0.698 nan 8.230 nan 0.000 0.607 30 G N 1.529 110.411 108.800 0.137 0.000 2.273 30 G HA2 -0.219 3.778 3.960 0.061 0.000 0.280 30 G HA3 -0.219 3.778 3.960 0.061 0.000 0.280 30 G C 0.001 174.959 174.900 0.096 0.000 1.047 30 G CA 0.339 45.496 45.100 0.094 0.000 0.869 30 G HN 0.449 nan 8.290 nan 0.000 0.502 31 V N 0.478 120.484 119.914 0.154 0.000 2.421 31 V HA 0.193 4.350 4.120 0.061 0.000 0.271 31 V C 0.983 177.248 176.094 0.285 0.000 1.031 31 V CA 0.448 62.814 62.300 0.111 0.000 1.032 31 V CB 1.270 33.022 31.823 -0.119 0.000 1.009 31 V HN 0.310 nan 8.190 nan 0.000 0.477 32 D N 2.906 123.303 120.400 -0.004 0.000 2.389 32 D HA 0.146 4.822 4.640 0.061 0.000 0.206 32 D C 0.456 176.558 176.300 -0.330 0.000 1.055 32 D CA 0.280 54.233 54.000 -0.078 0.000 0.856 32 D CB 0.230 40.864 40.800 -0.277 0.000 0.957 32 D HN 0.486 nan 8.370 nan 0.000 0.509 33 F N 0.706 120.640 119.950 -0.027 0.000 2.495 33 F HA 0.118 4.682 4.527 0.061 0.000 0.365 33 F C 1.999 177.826 175.800 0.046 0.000 1.090 33 F CA 0.087 58.021 58.000 -0.110 0.000 1.235 33 F CB 0.635 39.553 39.000 -0.136 0.000 1.119 33 F HN 0.015 nan 8.300 nan 0.000 0.562 34 H N 1.989 120.992 119.070 -0.111 0.000 2.403 34 H HA -0.071 4.523 4.556 0.062 0.000 0.298 34 H C 2.077 177.529 175.328 0.206 0.000 1.059 34 H CA 0.624 56.620 56.048 -0.087 0.000 1.363 34 H CB 0.242 29.828 29.762 -0.295 0.000 1.410 34 H HN 0.800 nan 8.280 nan 0.000 0.528 35 A N 1.697 124.658 122.820 0.235 0.000 1.933 35 A HA -0.082 4.274 4.320 0.061 0.000 0.218 35 A C -0.249 177.421 177.584 0.142 0.000 1.175 35 A CA 0.990 53.119 52.037 0.153 0.000 0.628 35 A CB -1.185 17.845 19.000 0.050 0.000 0.814 35 A HN 0.297 nan 8.150 nan 0.000 0.444 36 P HA -0.161 nan 4.420 nan 0.000 0.218 36 P C 0.691 178.093 177.300 0.171 0.000 1.148 36 P CA 1.077 64.150 63.100 -0.044 0.000 0.822 36 P CB -0.224 31.171 31.700 -0.509 0.000 0.784 37 Y N -0.149 120.323 120.300 0.287 0.000 2.497 37 Y HA -0.077 4.509 4.550 0.061 0.000 0.292 37 Y C 1.911 177.935 175.900 0.208 0.000 1.137 37 Y CA 1.102 59.397 58.100 0.325 0.000 1.285 37 Y CB -0.666 38.001 38.460 0.344 0.000 0.991 37 Y HN -0.032 nan 8.280 nan 0.000 0.556 38 K N -0.026 120.556 120.400 0.304 0.000 2.393 38 K HA 0.133 4.490 4.320 0.061 0.000 0.193 38 K C 0.158 176.845 176.600 0.145 0.000 1.026 38 K CA -0.017 56.391 56.287 0.201 0.000 1.064 38 K CB 0.181 32.783 32.500 0.170 0.000 0.833 38 K HN 0.194 nan 8.250 nan 0.000 0.521 39 L N 2.410 123.722 121.223 0.148 0.000 2.467 39 L HA 0.094 4.471 4.340 0.061 0.000 0.270 39 L C -2.095 174.833 176.870 0.097 0.000 1.205 39 L CA -1.989 52.919 54.840 0.114 0.000 0.828 39 L CB -0.061 42.074 42.059 0.126 0.000 1.101 39 L HN -0.168 nan 8.230 nan 0.000 0.479 40 P HA -0.109 nan 4.420 nan 0.000 0.265 40 P C 0.042 177.373 177.300 0.052 0.000 1.187 40 P CA 0.166 63.300 63.100 0.057 0.000 0.766 40 P CB 0.296 32.024 31.700 0.047 0.000 0.820 41 Y N 4.169 124.491 120.300 0.037 0.000 2.151 41 Y HA -0.366 4.221 4.550 0.061 0.000 0.284 41 Y C 2.465 178.374 175.900 0.016 0.000 1.166 41 Y CA 3.164 61.275 58.100 0.019 0.000 1.163 41 Y CB -0.807 37.656 38.460 0.004 0.000 0.974 41 Y HN 0.320 nan 8.280 nan 0.000 0.511 42 K N 0.420 120.831 120.400 0.019 0.000 2.026 42 K HA -0.187 4.170 4.320 0.061 0.000 0.208 42 K C 1.913 178.530 176.600 0.028 0.000 1.048 42 K CA 1.881 58.178 56.287 0.017 0.000 0.929 42 K CB -1.003 31.506 32.500 0.015 0.000 0.713 42 K HN 0.666 nan 8.250 nan 0.000 0.439 43 E N 0.201 120.427 120.200 0.042 0.000 2.110 43 E HA -0.065 4.321 4.350 0.061 0.000 0.193 43 E C 2.175 178.829 176.600 0.090 0.000 0.988 43 E CA 1.076 57.513 56.400 0.060 0.000 0.804 43 E CB -0.214 29.528 29.700 0.069 0.000 0.745 43 E HN 0.452 nan 8.360 nan 0.000 0.458 44 L N 0.726 122.004 121.223 0.091 0.000 2.017 44 L HA -0.196 4.181 4.340 0.061 0.000 0.208 44 L C 2.579 179.499 176.870 0.083 0.000 1.073 44 L CA 0.914 55.825 54.840 0.117 0.000 0.745 44 L CB -0.336 41.741 42.059 0.029 0.000 0.894 44 L HN 0.253 nan 8.230 nan 0.000 0.432 45 L N -0.157 121.083 121.223 0.027 0.000 2.017 45 L HA -0.231 4.145 4.340 0.061 0.000 0.208 45 L C 2.395 179.268 176.870 0.005 0.000 1.073 45 L CA 1.425 56.269 54.840 0.007 0.000 0.745 45 L CB -0.370 41.686 42.059 -0.006 0.000 0.894 45 L HN 0.424 nan 8.230 nan 0.000 0.432 46 N N -0.241 118.464 118.700 0.009 0.000 2.188 46 N HA -0.177 4.599 4.740 0.061 0.000 0.184 46 N C 1.661 177.149 175.510 -0.035 0.000 1.018 46 N CA 1.032 54.078 53.050 -0.007 0.000 0.858 46 N CB -0.129 38.360 38.487 0.003 0.000 0.989 46 N HN 0.365 nan 8.380 nan 0.000 0.426 47 E N 1.092 121.280 120.200 -0.021 0.000 2.107 47 E HA -0.057 4.330 4.350 0.061 0.000 0.191 47 E C 2.091 178.411 176.600 -0.467 0.000 0.982 47 E CA 0.048 56.367 56.400 -0.136 0.000 0.809 47 E CB -0.183 29.566 29.700 0.082 0.000 0.756 47 E HN 0.322 nan 8.360 nan 0.000 0.459 48 L N 1.188 122.269 121.223 -0.237 0.000 1.994 48 L HA -0.245 4.132 4.340 0.061 0.000 0.208 48 L C 2.443 179.266 176.870 -0.079 0.000 1.071 48 L CA 1.483 56.225 54.840 -0.164 0.000 0.745 48 L CB -0.292 41.827 42.059 0.100 0.000 0.892 48 L HN 0.163 nan 8.230 nan 0.000 0.431 49 Q N 0.042 119.809 119.800 -0.056 0.000 2.077 49 Q HA -0.269 4.107 4.340 0.061 0.000 0.206 49 Q C 2.096 178.053 176.000 -0.072 0.000 0.989 49 Q CA 1.630 57.408 55.803 -0.043 0.000 0.853 49 Q CB -0.339 28.378 28.738 -0.035 0.000 0.907 49 Q HN 0.552 nan 8.270 nan 0.000 0.418 50 K N 0.035 120.376 120.400 -0.097 0.000 2.063 50 K HA -0.148 4.208 4.320 0.061 0.000 0.208 50 K C 2.030 178.566 176.600 -0.107 0.000 1.048 50 K CA 1.212 57.441 56.287 -0.096 0.000 0.928 50 K CB -0.357 32.089 32.500 -0.089 0.000 0.713 50 K HN 0.141 nan 8.250 nan 0.000 0.442 51 F N 1.821 121.568 119.950 -0.339 0.000 2.134 51 F HA -0.155 4.409 4.527 0.061 0.000 0.299 51 F C 1.765 177.475 175.800 -0.150 0.000 1.097 51 F CA 1.267 59.082 58.000 -0.308 0.000 1.264 51 F CB -0.214 38.409 39.000 -0.629 0.000 1.001 51 F HN -0.116 nan 8.300 nan 0.000 0.479 52 L N 0.481 121.527 121.223 -0.295 0.000 2.217 52 L HA -0.125 4.252 4.340 0.061 0.000 0.211 52 L C 2.249 178.954 176.870 -0.274 0.000 1.107 52 L CA 1.464 56.099 54.840 -0.341 0.000 0.783 52 L CB -0.722 41.288 42.059 -0.081 0.000 0.919 52 L HN 0.337 nan 8.230 nan 0.000 0.442 53 E N -1.258 118.826 120.200 -0.193 0.000 2.479 53 E HA 0.064 4.450 4.350 0.061 0.000 0.193 53 E C 0.286 176.797 176.600 -0.149 0.000 1.049 53 E CA 0.031 56.346 56.400 -0.142 0.000 0.870 53 E CB 0.102 29.747 29.700 -0.092 0.000 0.944 53 E HN 0.211 nan 8.360 nan 0.000 0.492 108 V N 1.502 121.406 119.914 -0.017 0.000 2.521 108 V HA 0.061 4.217 4.120 0.061 0.000 0.286 108 V C 1.171 177.242 176.094 -0.038 0.000 1.034 108 V CA -0.579 61.706 62.300 -0.025 0.000 1.045 108 V CB 0.687 32.508 31.823 -0.002 0.000 0.974 108 V HN 0.677 nan 8.190 nan 0.000 0.480 109 C N 6.998 126.265 119.300 -0.054 0.000 2.596 109 C HA 0.034 4.530 4.460 0.061 0.000 0.414 109 C C 2.013 176.962 174.990 -0.068 0.000 1.396 109 C CA -0.093 58.890 59.018 -0.060 0.000 1.698 109 C CB -0.752 26.948 27.740 -0.066 0.000 2.572 109 C HN 1.055 nan 8.230 nan 0.000 0.604 110 N N 4.273 122.939 118.700 -0.056 0.000 2.515 110 N HA -0.077 4.700 4.740 0.061 0.000 0.185 110 N C 0.936 176.411 175.510 -0.058 0.000 1.109 110 N CA 1.199 54.219 53.050 -0.051 0.000 0.903 110 N CB -0.130 38.336 38.487 -0.035 0.000 0.969 110 N HN 0.573 nan 8.380 nan 0.000 0.450 111 V N 0.428 120.304 119.914 -0.064 0.000 2.690 111 V HA -0.028 4.128 4.120 0.061 0.000 0.240 111 V C 2.333 178.376 176.094 -0.085 0.000 1.078 111 V CA 1.210 63.483 62.300 -0.045 0.000 1.102 111 V CB -0.118 31.700 31.823 -0.009 0.000 0.800 111 V HN 0.676 nan 8.190 nan 0.000 0.479 112 C N -0.899 118.329 119.300 -0.121 0.000 3.070 112 C HA 0.478 4.974 4.460 0.061 0.000 0.280 112 C C 1.307 176.143 174.990 -0.257 0.000 1.264 112 C CA -0.673 58.214 59.018 -0.218 0.000 1.690 112 C CB -1.002 26.609 27.740 -0.215 0.000 2.049 112 C HN 0.500 nan 8.230 nan 0.000 0.636 113 L N 1.130 122.232 121.223 -0.202 0.000 3.737 113 L HA -0.190 4.186 4.340 0.061 0.000 0.418 113 L C 1.401 178.203 176.870 -0.115 0.000 1.216 113 L CA 0.799 55.515 54.840 -0.207 0.000 0.915 113 L CB -2.459 39.370 42.059 -0.382 0.000 1.834 113 L HN 0.891 nan 8.230 nan 0.000 0.943 114 G N -1.910 106.830 108.800 -0.100 0.000 2.194 114 G HA2 -0.299 3.698 3.960 0.061 0.000 0.236 114 G HA3 -0.299 3.698 3.960 0.061 0.000 0.236 114 G C 0.736 175.629 174.900 -0.012 0.000 0.987 114 G CA 0.055 45.120 45.100 -0.058 0.000 0.635 114 G HN 0.231 nan 8.290 nan 0.000 0.520 115 I N 0.801 121.280 120.570 -0.152 0.000 2.151 115 I HA -0.067 4.140 4.170 0.061 0.000 0.243 115 I C 2.474 178.576 176.117 -0.024 0.000 1.080 115 I CA 1.507 62.625 61.300 -0.303 0.000 1.339 115 I CB -0.891 36.620 38.000 -0.815 0.000 1.039 115 I HN 0.332 nan 8.210 nan 0.000 0.409 116 L N -0.415 120.788 121.223 -0.033 0.000 2.685 116 L HA 0.074 4.450 4.340 0.061 0.000 0.233 116 L C 1.546 178.439 176.870 0.039 0.000 1.173 116 L CA -0.082 54.803 54.840 0.075 0.000 0.961 116 L CB -0.078 42.024 42.059 0.072 0.000 1.217 116 L HN 0.331 nan 8.230 nan 0.000 0.478 117 Q N 0.117 119.908 119.800 -0.016 0.000 3.062 117 Q HA 0.007 4.384 4.340 0.061 0.000 0.229 117 Q C 1.529 177.472 176.000 -0.095 0.000 1.163 117 Q CA 0.121 55.889 55.803 -0.059 0.000 0.322 117 Q CB -0.019 28.661 28.738 -0.096 0.000 5.731 117 Q HN 0.300 nan 8.270 nan 0.000 0.328 118 E N 0.586 120.637 120.200 -0.248 0.000 2.160 118 E HA -0.173 4.213 4.350 0.061 0.000 0.195 118 E C 1.509 177.930 176.600 -0.299 0.000 0.991 118 E CA 1.279 57.483 56.400 -0.328 0.000 0.810 118 E CB -0.293 29.106 29.700 -0.502 0.000 0.742 118 E HN 0.348 nan 8.360 nan 0.000 0.466 119 F N 1.180 121.073 119.950 -0.096 0.000 2.748 119 F HA 0.050 4.615 4.527 0.065 0.000 0.299 119 F C 2.084 178.071 175.800 0.310 0.000 1.154 119 F CA 0.377 58.276 58.000 -0.170 0.000 1.446 119 F CB 0.165 38.935 39.000 -0.384 0.000 1.112 119 F HN 0.303 nan 8.300 nan 0.000 0.584 120 C N -1.551 117.972 119.300 0.372 0.000 2.974 120 C HA 0.348 4.845 4.460 0.061 0.000 0.282 120 C C 0.599 175.659 174.990 0.118 0.000 1.292 120 C CA -0.698 58.460 59.018 0.233 0.000 1.710 120 C CB -1.583 26.261 27.740 0.173 0.000 2.036 120 C HN 0.192 nan 8.230 nan 0.000 0.629 121 E N 0.957 121.248 120.200 0.151 0.000 2.254 121 E HA 0.219 4.606 4.350 0.061 0.000 0.261 121 E C 0.696 177.349 176.600 0.090 0.000 1.051 121 E CA -0.507 55.949 56.400 0.094 0.000 0.902 121 E CB 1.066 30.806 29.700 0.065 0.000 1.168 121 E HN 0.238 nan 8.360 nan 0.000 0.423 122 K N 0.870 121.295 120.400 0.041 0.000 2.057 122 K HA -0.214 4.143 4.320 0.061 0.000 0.207 122 K C 1.058 177.668 176.600 0.017 0.000 1.049 122 K CA 1.654 57.942 56.287 0.002 0.000 0.931 122 K CB 0.077 32.579 32.500 0.003 0.000 0.714 122 K HN 0.425 nan 8.250 nan 0.000 0.440 123 D N 0.023 120.458 120.400 0.059 0.000 2.123 123 D HA -0.186 4.491 4.640 0.061 0.000 0.196 123 D C 1.638 178.013 176.300 0.124 0.000 0.992 123 D CA 1.044 55.089 54.000 0.075 0.000 0.833 123 D CB -0.215 40.632 40.800 0.079 0.000 0.954 123 D HN 0.252 nan 8.370 nan 0.000 0.455 124 F N 1.087 121.067 119.950 0.049 0.000 2.146 124 F HA -0.158 4.405 4.527 0.060 0.000 0.298 124 F C 2.094 177.930 175.800 0.059 0.000 1.096 124 F CA 0.850 58.923 58.000 0.122 0.000 1.275 124 F CB 0.081 39.236 39.000 0.258 0.000 1.008 124 F HN -0.161 nan 8.300 nan 0.000 0.480 125 I N 1.000 121.489 120.570 -0.134 0.000 2.286 125 I HA -0.278 3.929 4.170 0.061 0.000 0.248 125 I C 2.365 178.254 176.117 -0.379 0.000 1.115 125 I CA 1.382 62.400 61.300 -0.471 0.000 1.392 125 I CB -1.466 36.180 38.000 -0.590 0.000 1.065 125 I HN 0.250 nan 8.210 nan 0.000 0.418 126 K N 1.454 121.736 120.400 -0.197 0.000 2.063 126 K HA -0.240 4.116 4.320 0.061 0.000 0.208 126 K C 2.436 178.979 176.600 -0.096 0.000 1.048 126 K CA 2.267 58.489 56.287 -0.109 0.000 0.928 126 K CB 0.069 32.544 32.500 -0.043 0.000 0.713 126 K HN 0.268 nan 8.250 nan 0.000 0.442 127 K N -0.307 120.022 120.400 -0.118 0.000 2.148 127 K HA -0.018 4.339 4.320 0.061 0.000 0.204 127 K C 1.909 178.426 176.600 -0.138 0.000 1.050 127 K CA 1.347 57.580 56.287 -0.090 0.000 0.942 127 K CB -0.961 31.525 32.500 -0.024 0.000 0.724 127 K HN 0.129 nan 8.250 nan 0.000 0.446 128 V N 0.780 120.521 119.914 -0.287 0.000 2.307 128 V HA -0.228 3.929 4.120 0.061 0.000 0.245 128 V C 2.826 178.924 176.094 0.008 0.000 1.045 128 V CA 2.004 64.201 62.300 -0.171 0.000 1.024 128 V CB -0.879 30.827 31.823 -0.195 0.000 0.651 128 V HN 0.674 nan 8.190 nan 0.000 0.449 129 C N -0.504 118.799 119.300 0.005 0.000 2.425 129 C HA -0.170 4.326 4.460 0.061 0.000 0.277 129 C C 2.847 177.900 174.990 0.105 0.000 1.280 129 C CA 0.825 59.905 59.018 0.103 0.000 1.744 129 C CB -1.092 26.695 27.740 0.078 0.000 1.989 129 C HN 0.600 nan 8.230 nan 0.000 0.491 130 Q N 0.509 120.343 119.800 0.057 0.000 2.124 130 Q HA -0.180 4.197 4.340 0.061 0.000 0.202 130 Q C 2.437 178.491 176.000 0.089 0.000 0.977 130 Q CA 1.235 57.080 55.803 0.069 0.000 0.850 130 Q CB -0.150 28.614 28.738 0.043 0.000 0.901 130 Q HN 0.565 nan 8.270 nan 0.000 0.429 131 K N 0.304 120.751 120.400 0.079 0.000 2.026 131 K HA -0.130 4.226 4.320 0.061 0.000 0.208 131 K C 2.044 178.734 176.600 0.150 0.000 1.048 131 K CA 1.104 57.448 56.287 0.096 0.000 0.929 131 K CB -0.216 32.325 32.500 0.070 0.000 0.713 131 K HN 0.093 nan 8.250 nan 0.000 0.439 132 V N 1.560 121.578 119.914 0.173 0.000 2.287 132 V HA -0.246 3.911 4.120 0.061 0.000 0.248 132 V C 2.077 178.363 176.094 0.319 0.000 1.053 132 V CA 1.881 64.337 62.300 0.259 0.000 1.027 132 V CB -0.440 31.531 31.823 0.248 0.000 0.646 132 V HN 0.394 nan 8.190 nan 0.000 0.447 133 E N 0.115 120.469 120.200 0.256 0.000 2.153 133 E HA -0.159 4.228 4.350 0.061 0.000 0.194 133 E C 2.227 178.939 176.600 0.187 0.000 0.988 133 E CA 1.171 57.712 56.400 0.235 0.000 0.811 133 E CB -0.315 29.487 29.700 0.170 0.000 0.746 133 E HN 0.616 nan 8.360 nan 0.000 0.466 134 A N 0.536 123.451 122.820 0.159 0.000 2.067 134 A HA -0.086 4.271 4.320 0.061 0.000 0.219 134 A C 2.173 179.837 177.584 0.133 0.000 1.158 134 A CA 0.951 53.060 52.037 0.120 0.000 0.661 134 A CB -0.109 18.950 19.000 0.098 0.000 0.801 134 A HN 0.064 nan 8.150 nan 0.000 0.452 135 S N -1.435 114.390 115.700 0.209 0.000 2.453 135 S HA 0.250 4.757 4.470 0.061 0.000 0.231 135 S C 1.502 176.170 174.600 0.113 0.000 1.005 135 S CA 0.959 59.293 58.200 0.224 0.000 0.949 135 S CB -0.208 63.262 63.200 0.449 0.000 0.774 135 S HN 1.620 nan 8.310 nan 0.000 0.510 136 G N 0.846 109.734 108.800 0.147 0.000 2.160 136 G HA2 -0.252 3.745 3.960 0.061 0.000 0.244 136 G HA3 -0.252 3.745 3.960 0.061 0.000 0.244 136 G C -0.017 174.898 174.900 0.024 0.000 1.022 136 G CA -0.272 44.863 45.100 0.060 0.000 0.741 136 G HN 0.426 nan 8.290 nan 0.000 0.508 137 F N 0.755 120.813 119.950 0.179 0.000 2.382 137 F HA 0.470 5.034 4.527 0.060 0.000 0.331 137 F C 1.168 176.950 175.800 -0.031 0.000 1.121 137 F CA -0.225 57.815 58.000 0.066 0.000 1.183 137 F CB 0.723 39.746 39.000 0.038 0.000 1.207 137 F HN 0.101 nan 8.300 nan 0.000 0.555 138 E N 2.673 122.915 120.200 0.070 0.000 2.249 138 E HA 0.481 4.868 4.350 0.061 0.000 0.280 138 E C -1.260 175.308 176.600 -0.054 0.000 1.016 138 E CA -0.454 55.850 56.400 -0.161 0.000 0.830 138 E CB 1.340 30.814 29.700 -0.377 0.000 1.081 138 E HN 0.430 nan 8.360 nan 0.000 0.395 139 F N -1.592 118.274 119.950 -0.140 0.000 2.703 139 F HA 0.339 4.904 4.527 0.063 0.000 0.308 139 F C 0.216 176.044 175.800 0.047 0.000 1.126 139 F CA -0.947 57.001 58.000 -0.088 0.000 0.959 139 F CB 0.914 39.608 39.000 -0.510 0.000 1.297 139 F HN 0.247 nan 8.300 nan 0.000 0.441 140 T N -1.968 112.765 114.554 0.298 0.000 3.040 140 T HA 0.552 4.939 4.350 0.061 0.000 0.266 140 T C 0.088 174.927 174.700 0.232 0.000 1.005 140 T CA 0.458 62.670 62.100 0.188 0.000 0.906 140 T CB -0.432 68.529 68.868 0.155 0.000 1.082 140 T HN 1.366 nan 8.240 nan 0.000 0.531 141 S N 0.844 116.751 115.700 0.346 0.000 2.636 141 S HA 0.727 5.233 4.470 0.061 0.000 0.266 141 S C -1.747 173.011 174.600 0.263 0.000 1.147 141 S CA -1.095 57.257 58.200 0.252 0.000 0.815 141 S CB 1.409 64.695 63.200 0.143 0.000 1.119 141 S HN 0.920 nan 8.310 nan 0.000 0.470 142 L N -1.110 120.184 121.223 0.118 0.000 2.469 142 L HA 1.018 5.394 4.340 0.061 0.000 0.256 142 L C -1.529 175.286 176.870 -0.092 0.000 1.006 142 L CA -1.221 53.625 54.840 0.010 0.000 0.832 142 L CB 1.798 43.821 42.059 -0.060 0.000 1.421 142 L HN 0.635 nan 8.230 nan 0.000 0.410 143 V N 0.559 120.374 119.914 -0.163 0.000 2.581 143 V HA 0.533 4.690 4.120 0.061 0.000 0.303 143 V C -0.791 175.217 176.094 -0.144 0.000 1.041 143 V CA -0.337 61.877 62.300 -0.143 0.000 0.907 143 V CB 1.486 33.220 31.823 -0.148 0.000 0.994 143 V HN 0.680 nan 8.190 nan 0.000 0.442 144 F N 3.338 123.142 119.950 -0.244 0.000 2.411 144 F HA 0.689 5.254 4.527 0.063 0.000 0.352 144 F C 0.249 175.961 175.800 -0.146 0.000 1.123 144 F CA -0.603 57.233 58.000 -0.273 0.000 1.044 144 F CB 1.525 40.365 39.000 -0.267 0.000 1.135 144 F HN 0.568 nan 8.300 nan 0.000 0.461 145 S N 6.742 122.075 115.700 -0.611 0.000 2.451 145 S HA 0.809 5.316 4.470 0.061 0.000 0.301 145 S C -1.182 172.886 174.600 -0.886 0.000 1.116 145 S CA -0.344 57.480 58.200 -0.625 0.000 1.093 145 S CB 0.870 63.845 63.200 -0.376 0.000 1.017 145 S HN 0.977 nan 8.310 nan 0.000 0.482 146 V N 2.108 121.538 119.914 -0.807 0.000 2.789 146 V HA 0.875 5.032 4.120 0.061 0.000 0.311 146 V C -0.542 175.149 176.094 -0.672 0.000 1.073 146 V CA -0.588 61.286 62.300 -0.710 0.000 0.921 146 V CB 1.631 33.056 31.823 -0.664 0.000 1.009 146 V HN 0.767 nan 8.190 nan 0.000 0.426 147 S N 4.119 119.499 115.700 -0.534 0.000 2.532 147 S HA 0.797 5.303 4.470 0.061 0.000 0.299 147 S C -0.830 173.602 174.600 -0.280 0.000 1.105 147 S CA -0.345 57.592 58.200 -0.439 0.000 1.018 147 S CB 1.151 64.208 63.200 -0.238 0.000 1.021 147 S HN 0.661 nan 8.310 nan 0.000 0.483 148 F N 2.083 122.017 119.950 -0.026 0.000 2.440 148 F HA 0.478 5.040 4.527 0.057 0.000 0.328 148 F C -2.154 173.635 175.800 -0.018 0.000 1.070 148 F CA -2.821 55.165 58.000 -0.024 0.000 1.011 148 F CB 0.769 39.699 39.000 -0.117 0.000 1.226 148 F HN 0.279 nan 8.300 nan 0.000 0.491 149 P HA 0.056 nan 4.420 nan 0.000 0.265 149 P C -2.198 175.149 177.300 0.078 0.000 1.193 149 P CA -0.853 62.318 63.100 0.117 0.000 0.765 149 P CB 0.256 32.024 31.700 0.113 0.000 0.823 150 P HA -0.199 nan 4.420 nan 0.000 0.219 150 P C 1.383 178.690 177.300 0.013 0.000 1.146 150 P CA 1.280 64.391 63.100 0.019 0.000 0.808 150 P CB -0.233 31.464 31.700 -0.005 0.000 0.779 151 Q N -0.504 119.311 119.800 0.025 0.000 2.436 151 Q HA -0.066 4.311 4.340 0.061 0.000 0.209 151 Q C 1.894 177.894 176.000 -0.001 0.000 0.965 151 Q CA 0.914 56.728 55.803 0.018 0.000 0.910 151 Q CB -1.195 27.579 28.738 0.060 0.000 0.980 151 Q HN 0.308 nan 8.270 nan 0.000 0.491 152 L N 1.154 122.375 121.223 -0.004 0.000 2.079 152 L HA -0.174 4.203 4.340 0.061 0.000 0.210 152 L C 2.330 179.195 176.870 -0.008 0.000 1.081 152 L CA 1.512 56.332 54.840 -0.032 0.000 0.752 152 L CB -0.442 41.577 42.059 -0.067 0.000 0.896 152 L HN 0.227 nan 8.230 nan 0.000 0.433 153 S N -0.634 115.068 115.700 0.003 0.000 2.400 153 S HA -0.146 4.360 4.470 0.061 0.000 0.232 153 S C 1.965 176.589 174.600 0.040 0.000 1.025 153 S CA 1.093 59.302 58.200 0.015 0.000 0.993 153 S CB -0.189 63.008 63.200 -0.004 0.000 0.808 153 S HN 0.214 nan 8.310 nan 0.000 0.478 154 V N 1.759 121.671 119.914 -0.002 0.000 2.358 154 V HA -0.158 3.999 4.120 0.061 0.000 0.246 154 V C 2.422 178.605 176.094 0.147 0.000 1.047 154 V CA 1.622 63.919 62.300 -0.004 0.000 1.035 154 V CB -0.571 31.064 31.823 -0.315 0.000 0.658 154 V HN 0.382 nan 8.190 nan 0.000 0.452 155 R N -0.067 120.482 120.500 0.082 0.000 2.075 155 R HA -0.172 4.204 4.340 0.061 0.000 0.232 155 R C 2.375 178.758 176.300 0.139 0.000 1.126 155 R CA 1.558 57.719 56.100 0.102 0.000 0.963 155 R CB -0.309 30.009 30.300 0.030 0.000 0.858 155 R HN 0.510 nan 8.270 nan 0.000 0.435 156 E N 0.170 120.456 120.200 0.144 0.000 2.097 156 E HA -0.259 4.128 4.350 0.061 0.000 0.196 156 E C 1.759 178.527 176.600 0.279 0.000 1.000 156 E CA 1.697 58.239 56.400 0.237 0.000 0.804 156 E CB -0.121 29.670 29.700 0.152 0.000 0.740 156 E HN 0.392 nan 8.360 nan 0.000 0.454 157 H N -0.831 118.300 119.070 0.103 0.000 2.357 157 H HA 0.035 4.629 4.556 0.063 0.000 0.301 157 H C 1.771 177.109 175.328 0.016 0.000 1.082 157 H CA 1.910 57.967 56.048 0.016 0.000 1.342 157 H CB -0.245 29.359 29.762 -0.264 0.000 1.389 157 H HN 0.249 nan 8.280 nan 0.000 0.511 158 A N 0.584 123.534 122.820 0.216 0.000 1.902 158 A HA -0.078 4.278 4.320 0.061 0.000 0.217 158 A C 2.546 180.173 177.584 0.072 0.000 1.181 158 A CA 1.588 53.783 52.037 0.264 0.000 0.623 158 A CB -1.223 18.024 19.000 0.411 0.000 0.818 158 A HN 0.592 nan 8.150 nan 0.000 0.443 159 A N -0.936 121.907 122.820 0.038 0.000 1.898 159 A HA -0.153 4.204 4.320 0.061 0.000 0.216 159 A C 2.102 179.642 177.584 -0.072 0.000 1.181 159 A CA 1.296 53.237 52.037 -0.159 0.000 0.620 159 A CB -0.981 17.767 19.000 -0.421 0.000 0.819 159 A HN 0.900 nan 8.150 nan 0.000 0.442 160 W N 0.925 122.246 121.300 0.034 0.000 2.317 160 W HA -0.231 4.465 4.660 0.060 0.000 0.318 160 W C 1.521 177.997 176.519 -0.072 0.000 1.227 160 W CA 1.833 59.232 57.345 0.090 0.000 1.269 160 W CB -0.475 28.962 29.460 -0.039 0.000 1.155 160 W HN 0.291 nan 8.180 nan 0.000 0.484 161 L N 0.561 121.462 121.223 -0.538 0.000 2.079 161 L HA -0.295 4.081 4.340 0.061 0.000 0.210 161 L C 2.788 179.421 176.870 -0.395 0.000 1.081 161 L CA 0.958 55.434 54.840 -0.606 0.000 0.752 161 L CB -1.148 40.724 42.059 -0.313 0.000 0.896 161 L HN 0.131 nan 8.230 nan 0.000 0.433 162 L N -0.230 120.850 121.223 -0.239 0.000 1.994 162 L HA -0.173 4.203 4.340 0.061 0.000 0.208 162 L C 2.567 179.325 176.870 -0.187 0.000 1.071 162 L CA 1.753 56.492 54.840 -0.168 0.000 0.745 162 L CB -0.371 41.615 42.059 -0.123 0.000 0.892 162 L HN 0.061 nan 8.230 nan 0.000 0.431 163 V N 0.430 120.232 119.914 -0.186 0.000 2.332 163 V HA -0.316 3.841 4.120 0.061 0.000 0.248 163 V C 2.671 178.645 176.094 -0.201 0.000 1.055 163 V CA 2.062 64.299 62.300 -0.106 0.000 1.038 163 V CB -0.698 31.176 31.823 0.085 0.000 0.651 163 V HN 0.481 nan 8.190 nan 0.000 0.450 164 K N -0.121 119.982 120.400 -0.495 0.000 2.063 164 K HA -0.291 4.065 4.320 0.061 0.000 0.208 164 K C 2.322 178.727 176.600 -0.323 0.000 1.048 164 K CA 2.130 58.058 56.287 -0.599 0.000 0.928 164 K CB -0.164 31.625 32.500 -1.186 0.000 0.713 164 K HN 0.585 nan 8.250 nan 0.000 0.442 165 Q N 0.459 120.090 119.800 -0.283 0.000 2.050 165 Q HA -0.237 4.140 4.340 0.061 0.000 0.202 165 Q C 1.907 177.833 176.000 -0.123 0.000 0.980 165 Q CA 1.978 57.677 55.803 -0.173 0.000 0.840 165 Q CB -0.049 28.601 28.738 -0.146 0.000 0.898 165 Q HN 0.273 nan 8.270 nan 0.000 0.424 166 E N -0.031 120.102 120.200 -0.112 0.000 2.072 166 E HA -0.166 4.221 4.350 0.061 0.000 0.191 166 E C 1.907 178.467 176.600 -0.066 0.000 0.985 166 E CA 1.457 57.809 56.400 -0.079 0.000 0.801 166 E CB -0.081 29.591 29.700 -0.047 0.000 0.750 166 E HN 0.349 nan 8.360 nan 0.000 0.452 167 M N -0.217 119.351 119.600 -0.055 0.000 2.149 167 M HA -0.036 4.480 4.480 0.061 0.000 0.261 167 M C 2.283 178.562 176.300 -0.035 0.000 1.064 167 M CA 1.648 56.934 55.300 -0.023 0.000 1.102 167 M CB -1.387 31.208 32.600 -0.008 0.000 1.369 167 M HN 0.324 nan 8.290 nan 0.000 0.408 168 G N 0.012 108.775 108.800 -0.062 0.000 2.422 168 G HA2 -0.201 3.796 3.960 0.061 0.000 0.218 168 G HA3 -0.201 3.796 3.960 0.061 0.000 0.218 168 G C 1.818 176.687 174.900 -0.051 0.000 1.140 168 G CA 0.514 45.582 45.100 -0.053 0.000 0.775 168 G HN 0.413 nan 8.290 nan 0.000 0.545 169 K N -0.076 120.283 120.400 -0.069 0.000 2.063 169 K HA -0.125 4.232 4.320 0.061 0.000 0.208 169 K C 2.390 178.942 176.600 -0.079 0.000 1.048 169 K CA 1.421 57.659 56.287 -0.081 0.000 0.928 169 K CB -0.096 32.334 32.500 -0.116 0.000 0.713 169 K HN 0.302 nan 8.250 nan 0.000 0.442 170 Q N 0.009 119.765 119.800 -0.075 0.000 2.365 170 Q HA 0.106 4.483 4.340 0.061 0.000 0.203 170 Q C -0.038 175.957 176.000 -0.008 0.000 0.929 170 Q CA 0.007 55.783 55.803 -0.044 0.000 0.948 170 Q CB 0.656 29.384 28.738 -0.018 0.000 1.043 170 Q HN 0.107 nan 8.270 nan 0.000 0.505 171 S N -0.315 115.377 115.700 -0.014 0.000 3.521 171 S HA -0.184 4.323 4.470 0.061 0.000 0.328 171 S C -0.034 174.574 174.600 0.013 0.000 1.165 171 S CA 0.427 58.626 58.200 -0.001 0.000 0.941 171 S CB -1.508 61.693 63.200 0.002 0.000 0.951 171 S HN 0.393 nan 8.310 nan 0.000 0.539 172 L N 1.526 122.760 121.223 0.018 0.000 2.360 172 L HA 0.569 4.945 4.340 0.061 0.000 0.271 172 L C 0.708 177.600 176.870 0.036 0.000 1.057 172 L CA -0.422 54.439 54.840 0.035 0.000 0.803 172 L CB 1.482 43.572 42.059 0.052 0.000 1.207 172 L HN 0.303 nan 8.230 nan 0.000 0.445 173 S N 2.470 118.200 115.700 0.050 0.000 2.462 173 S HA 0.711 5.217 4.470 0.061 0.000 0.294 173 S C -0.813 173.845 174.600 0.096 0.000 1.144 173 S CA -0.724 57.514 58.200 0.064 0.000 1.088 173 S CB 1.646 64.881 63.200 0.059 0.000 1.009 173 S HN 0.336 nan 8.310 nan 0.000 0.484 174 L N 2.684 123.990 121.223 0.139 0.000 2.410 174 L HA 0.765 5.141 4.340 0.061 0.000 0.270 174 L C 0.327 177.410 176.870 0.354 0.000 0.983 174 L CA -0.217 54.760 54.840 0.229 0.000 0.822 174 L CB 1.444 43.666 42.059 0.272 0.000 1.285 174 L HN 1.064 nan 8.230 nan 0.000 0.409 175 G N 1.898 110.837 108.800 0.231 0.000 2.389 175 G HA2 0.405 4.402 3.960 0.061 0.000 0.317 175 G HA3 0.405 4.402 3.960 0.061 0.000 0.317 175 G C 0.540 175.342 174.900 -0.162 0.000 1.137 175 G CA -0.425 44.739 45.100 0.107 0.000 0.870 175 G HN 0.668 nan 8.290 nan 0.000 0.496 176 R N 0.741 120.886 120.500 -0.592 0.000 2.127 176 R HA -0.126 4.251 4.340 0.061 0.000 0.238 176 R C 1.998 177.970 176.300 -0.546 0.000 1.134 176 R CA 2.188 57.627 56.100 -1.102 0.000 0.975 176 R CB -0.210 29.423 30.300 -1.110 0.000 0.865 176 R HN 0.704 nan 8.270 nan 0.000 0.447 177 D N -1.074 119.137 120.400 -0.315 0.000 2.371 177 D HA -0.125 4.552 4.640 0.061 0.000 0.221 177 D C 0.182 176.394 176.300 -0.148 0.000 0.986 177 D CA 0.540 54.418 54.000 -0.203 0.000 0.899 177 D CB -0.146 40.574 40.800 -0.134 0.000 0.902 177 D HN 0.229 nan 8.370 nan 0.000 0.530 178 D N 0.496 120.818 120.400 -0.129 0.000 2.347 178 D HA 0.028 4.705 4.640 0.061 0.000 0.213 178 D C 0.789 177.041 176.300 -0.081 0.000 0.985 178 D CA 0.089 54.054 54.000 -0.059 0.000 0.879 178 D CB 0.547 41.355 40.800 0.014 0.000 0.919 178 D HN 0.284 nan 8.370 nan 0.000 0.526 179 I N 2.045 122.506 120.570 -0.182 0.000 2.416 179 I HA 0.031 4.238 4.170 0.061 0.000 0.288 179 I C 0.622 176.585 176.117 -0.257 0.000 1.051 179 I CA -0.569 60.552 61.300 -0.298 0.000 1.375 179 I CB 0.800 38.480 38.000 -0.532 0.000 1.407 179 I HN -0.335 nan 8.210 nan 0.000 0.516 180 V N 7.366 127.163 119.914 -0.196 0.000 2.529 180 V HA -0.014 4.143 4.120 0.061 0.000 0.292 180 V C 0.792 176.718 176.094 -0.281 0.000 1.028 180 V CA -0.395 61.796 62.300 -0.182 0.000 1.074 180 V CB 0.139 31.910 31.823 -0.086 0.000 0.958 180 V HN 0.717 nan 8.190 nan 0.000 0.481 181 Q N 2.418 122.046 119.800 -0.285 0.000 2.364 181 Q HA 0.072 4.449 4.340 0.061 0.000 0.267 181 Q C 1.031 176.872 176.000 -0.265 0.000 0.999 181 Q CA -0.431 55.221 55.803 -0.252 0.000 0.886 181 Q CB 0.714 29.330 28.738 -0.203 0.000 1.243 181 Q HN 0.669 nan 8.270 nan 0.000 0.415 182 L N 3.774 124.889 121.223 -0.180 0.000 1.989 182 L HA -0.257 4.120 4.340 0.061 0.000 0.211 182 L C 2.075 178.905 176.870 -0.067 0.000 1.071 182 L CA 2.133 56.873 54.840 -0.166 0.000 0.749 182 L CB -0.375 41.541 42.059 -0.238 0.000 0.890 182 L HN 0.655 nan 8.230 nan 0.000 0.431 183 K N -0.584 119.873 120.400 0.094 0.000 2.097 183 K HA -0.236 4.121 4.320 0.061 0.000 0.206 183 K C 2.145 178.684 176.600 -0.102 0.000 1.049 183 K CA 1.729 58.125 56.287 0.182 0.000 0.933 183 K CB -0.214 32.334 32.500 0.079 0.000 0.717 183 K HN 0.532 nan 8.250 nan 0.000 0.442 184 E N -0.373 119.629 120.200 -0.331 0.000 2.023 184 E HA -0.224 4.162 4.350 0.061 0.000 0.196 184 E C 1.852 177.670 176.600 -1.303 0.000 1.003 184 E CA 1.258 57.238 56.400 -0.700 0.000 0.809 184 E CB -0.197 29.084 29.700 -0.698 0.000 0.755 184 E HN 0.443 nan 8.360 nan 0.000 0.449 185 A N 0.221 122.300 122.820 -1.235 0.000 1.908 185 A HA -0.228 4.128 4.320 0.061 0.000 0.218 185 A C 2.053 179.367 177.584 -0.449 0.000 1.181 185 A CA 1.623 52.994 52.037 -1.110 0.000 0.627 185 A CB -0.974 17.549 19.000 -0.795 0.000 0.818 185 A HN 0.564 nan 8.150 nan 0.000 0.445 186 Y N 0.709 120.825 120.300 -0.308 0.000 2.128 186 Y HA -0.233 4.356 4.550 0.065 0.000 0.284 186 Y C 2.265 178.160 175.900 -0.009 0.000 1.154 186 Y CA 2.372 60.450 58.100 -0.038 0.000 1.149 186 Y CB -0.198 38.361 38.460 0.166 0.000 0.976 186 Y HN 0.289 nan 8.280 nan 0.000 0.505 187 K N -1.325 118.989 120.400 -0.144 0.000 2.103 187 K HA -0.179 4.178 4.320 0.061 0.000 0.204 187 K C 1.849 178.267 176.600 -0.304 0.000 1.052 187 K CA 1.204 57.270 56.287 -0.369 0.000 0.945 187 K CB -0.428 31.769 32.500 -0.506 0.000 0.722 187 K HN 0.322 nan 8.250 nan 0.000 0.443 188 W N 1.215 122.308 121.300 -0.346 0.000 2.321 188 W HA -0.155 4.544 4.660 0.064 0.000 0.306 188 W C 1.825 178.237 176.519 -0.179 0.000 1.217 188 W CA 0.799 57.929 57.345 -0.359 0.000 1.257 188 W CB -0.888 28.201 29.460 -0.619 0.000 1.145 188 W HN 0.047 nan 8.180 nan 0.000 0.509 189 I N -0.240 120.364 120.570 0.056 0.000 2.333 189 I HA -0.215 3.992 4.170 0.061 0.000 0.246 189 I C 2.513 178.620 176.117 -0.016 0.000 1.106 189 I CA 1.973 63.300 61.300 0.045 0.000 1.411 189 I CB -0.878 37.139 38.000 0.029 0.000 1.082 189 I HN -0.069 nan 8.210 nan 0.000 0.420 190 T N -3.126 111.352 114.554 -0.126 0.000 3.009 190 T HA -0.052 4.335 4.350 0.061 0.000 0.258 190 T C 1.731 176.513 174.700 0.137 0.000 1.063 190 T CA 0.737 62.764 62.100 -0.123 0.000 1.139 190 T CB -0.655 68.035 68.868 -0.296 0.000 0.890 190 T HN 0.358 nan 8.240 nan 0.000 0.471 191 H N 2.747 121.907 119.070 0.150 0.000 2.289 191 H HA -0.052 4.540 4.556 0.061 0.000 0.294 191 H C -0.409 175.017 175.328 0.163 0.000 1.095 191 H CA 1.707 57.874 56.048 0.198 0.000 1.256 191 H CB -0.910 28.959 29.762 0.178 0.000 1.359 191 H HN 0.408 nan 8.280 nan 0.000 0.487 192 P HA -0.135 nan 4.420 nan 0.000 0.220 192 P C 1.382 178.742 177.300 0.099 0.000 1.148 192 P CA 1.183 64.375 63.100 0.153 0.000 0.803 192 P CB -0.042 31.734 31.700 0.128 0.000 0.782 193 L N -2.198 119.052 121.223 0.045 0.000 2.056 193 L HA -0.099 4.277 4.340 0.061 0.000 0.207 193 L C 2.713 179.525 176.870 -0.098 0.000 1.078 193 L CA 1.335 56.137 54.840 -0.063 0.000 0.749 193 L CB -1.015 40.943 42.059 -0.169 0.000 0.901 193 L HN -0.148 nan 8.230 nan 0.000 0.433 194 F N -0.457 119.470 119.950 -0.038 0.000 2.134 194 F HA -0.252 4.311 4.527 0.060 0.000 0.299 194 F C 2.968 178.776 175.800 0.014 0.000 1.097 194 F CA 1.672 59.642 58.000 -0.050 0.000 1.264 194 F CB -0.342 38.589 39.000 -0.115 0.000 1.001 194 F HN -0.013 nan 8.300 nan 0.000 0.479 195 S N -0.551 115.285 115.700 0.226 0.000 2.368 195 S HA -0.197 4.309 4.470 0.061 0.000 0.224 195 S C 2.121 176.793 174.600 0.119 0.000 1.029 195 S CA 1.237 59.533 58.200 0.159 0.000 0.988 195 S CB -0.291 62.985 63.200 0.127 0.000 0.838 195 S HN 0.365 nan 8.310 nan 0.000 0.462 196 E N -0.016 120.237 120.200 0.088 0.000 2.106 196 E HA -0.144 4.243 4.350 0.061 0.000 0.192 196 E C 2.006 178.643 176.600 0.061 0.000 0.984 196 E CA 0.995 57.432 56.400 0.063 0.000 0.806 196 E CB -0.079 29.647 29.700 0.042 0.000 0.750 196 E HN 0.390 nan 8.360 nan 0.000 0.458 197 E N 0.081 120.315 120.200 0.057 0.000 2.072 197 E HA -0.090 4.296 4.350 0.061 0.000 0.190 197 E C 1.770 178.435 176.600 0.107 0.000 0.982 197 E CA 0.706 57.139 56.400 0.055 0.000 0.803 197 E CB 0.106 29.810 29.700 0.007 0.000 0.755 197 E HN 0.139 nan 8.360 nan 0.000 0.453 198 L N -1.258 120.065 121.223 0.167 0.000 2.477 198 L HA 0.263 4.640 4.340 0.061 0.000 0.220 198 L C 1.361 178.342 176.870 0.185 0.000 1.106 198 L CA 1.106 56.087 54.840 0.235 0.000 0.851 198 L CB -0.835 41.443 42.059 0.364 0.000 0.994 198 L HN 0.406 nan 8.230 nan 0.000 0.462 199 G N 0.829 109.711 108.800 0.137 0.000 2.160 199 G HA2 -0.232 3.764 3.960 0.061 0.000 0.251 199 G HA3 -0.232 3.764 3.960 0.061 0.000 0.251 199 G C 0.073 175.035 174.900 0.103 0.000 1.008 199 G CA 0.423 45.579 45.100 0.093 0.000 0.724 199 G HN 0.188 nan 8.290 nan 0.000 0.514 200 V N 0.825 120.833 119.914 0.157 0.000 2.962 200 V HA 0.699 4.855 4.120 0.061 0.000 0.313 200 V C -1.901 174.275 176.094 0.136 0.000 1.099 200 V CA -1.607 60.789 62.300 0.162 0.000 0.971 200 V CB 2.529 34.517 31.823 0.275 0.000 1.028 200 V HN 0.126 nan 8.190 nan 0.000 0.430 201 P HA 0.260 nan 4.420 nan 0.000 0.274 201 P C -0.828 176.501 177.300 0.048 0.000 1.237 201 P CA -0.225 62.917 63.100 0.070 0.000 0.793 201 P CB 0.659 32.392 31.700 0.055 0.000 0.977 202 I N 2.203 122.767 120.570 -0.009 0.000 2.496 202 I HA 0.158 4.365 4.170 0.061 0.000 0.285 202 I C 0.627 176.700 176.117 -0.073 0.000 1.080 202 I CA 0.640 61.876 61.300 -0.107 0.000 1.404 202 I CB -0.134 37.681 38.000 -0.308 0.000 1.403 202 I HN 0.364 nan 8.210 nan 0.000 0.539 203 D N 4.397 124.760 120.400 -0.062 0.000 2.686 203 D HA 0.304 4.981 4.640 0.061 0.000 0.249 203 D C 0.990 177.265 176.300 -0.042 0.000 1.260 203 D CA -0.463 53.520 54.000 -0.029 0.000 0.910 203 D CB 1.955 42.761 40.800 0.010 0.000 1.323 203 D HN 0.658 nan 8.370 nan 0.000 0.561 204 G N 2.994 111.773 108.800 -0.034 0.000 2.479 204 G HA2 -0.225 3.772 3.960 0.061 0.000 0.220 204 G HA3 -0.225 3.772 3.960 0.061 0.000 0.220 204 G C 1.009 175.889 174.900 -0.032 0.000 1.115 204 G CA 0.568 45.650 45.100 -0.030 0.000 0.757 204 G HN 0.472 nan 8.290 nan 0.000 0.560 205 K N 0.492 120.880 120.400 -0.020 0.000 2.397 205 K HA 0.210 4.566 4.320 0.061 0.000 0.202 205 K C 0.847 177.437 176.600 -0.016 0.000 1.022 205 K CA -0.244 56.033 56.287 -0.016 0.000 1.141 205 K CB 0.642 33.141 32.500 -0.001 0.000 0.857 205 K HN 0.166 nan 8.250 nan 0.000 0.514 206 S N 0.974 116.659 115.700 -0.024 0.000 2.558 206 S HA 0.068 4.575 4.470 0.061 0.000 0.288 206 S C 1.110 175.666 174.600 -0.073 0.000 1.318 206 S CA -0.290 57.899 58.200 -0.019 0.000 1.056 206 S CB 0.428 63.621 63.200 -0.011 0.000 0.853 206 S HN 0.259 nan 8.310 nan 0.000 0.505 207 L N 3.457 124.622 121.223 -0.098 0.000 2.558 207 L HA 0.252 4.628 4.340 0.061 0.000 0.225 207 L C 0.233 176.853 176.870 -0.417 0.000 1.128 207 L CA 0.107 54.804 54.840 -0.238 0.000 0.868 207 L CB -0.107 41.810 42.059 -0.237 0.000 1.006 207 L HN 0.590 nan 8.230 nan 0.000 0.454 208 F N 1.606 121.282 119.950 -0.456 0.000 2.385 208 F HA 0.326 4.891 4.527 0.063 0.000 0.360 208 F C 0.281 175.849 175.800 -0.387 0.000 1.122 208 F CA -0.861 56.855 58.000 -0.473 0.000 1.090 208 F CB 0.747 39.532 39.000 -0.359 0.000 1.150 208 F HN -0.129 nan 8.300 nan 0.000 0.472 209 E N 5.509 125.106 120.200 -1.005 0.000 2.158 209 E HA 0.519 4.905 4.350 0.061 0.000 0.271 209 E C -1.713 174.313 176.600 -0.956 0.000 0.911 209 E CA -0.758 55.182 56.400 -0.767 0.000 0.767 209 E CB 1.736 31.151 29.700 -0.475 0.000 1.120 209 E HN 0.471 nan 8.360 nan 0.000 0.405 210 V N 3.806 123.318 119.914 -0.669 0.000 2.398 210 V HA 0.347 4.504 4.120 0.061 0.000 0.286 210 V C -0.185 175.793 176.094 -0.195 0.000 1.026 210 V CA -0.489 61.552 62.300 -0.432 0.000 0.868 210 V CB 1.319 32.936 31.823 -0.343 0.000 0.982 210 V HN 0.728 nan 8.190 nan 0.000 0.443 211 S N 4.254 119.853 115.700 -0.168 0.000 2.521 211 S HA 0.846 5.353 4.470 0.061 0.000 0.295 211 S C -1.057 173.497 174.600 -0.076 0.000 1.098 211 S CA -0.712 57.386 58.200 -0.170 0.000 0.999 211 S CB 1.964 65.028 63.200 -0.226 0.000 1.034 211 S HN 0.376 nan 8.310 nan 0.000 0.483 212 V N 2.796 122.653 119.914 -0.095 0.000 2.540 212 V HA 0.567 4.723 4.120 0.061 0.000 0.302 212 V C -0.678 175.242 176.094 -0.290 0.000 1.035 212 V CA -0.677 61.552 62.300 -0.118 0.000 0.873 212 V CB 1.781 33.667 31.823 0.105 0.000 0.992 212 V HN 0.872 nan 8.190 nan 0.000 0.428 213 V N 5.204 124.922 119.914 -0.327 0.000 2.417 213 V HA 0.536 4.692 4.120 0.061 0.000 0.291 213 V C -0.578 175.294 176.094 -0.371 0.000 1.024 213 V CA -0.494 61.643 62.300 -0.272 0.000 0.861 213 V CB 1.422 33.152 31.823 -0.155 0.000 0.985 213 V HN 0.650 nan 8.190 nan 0.000 0.436 214 F N 2.633 122.544 119.950 -0.065 0.000 2.432 214 F HA 0.827 5.388 4.527 0.057 0.000 0.329 214 F C 0.575 176.363 175.800 -0.020 0.000 1.076 214 F CA -0.306 57.651 58.000 -0.072 0.000 1.018 214 F CB 1.788 40.740 39.000 -0.081 0.000 1.201 214 F HN 0.593 nan 8.300 nan 0.000 0.489 215 A N 1.256 124.193 122.820 0.193 0.000 2.515 215 A HA 0.603 4.960 4.320 0.061 0.000 0.296 215 A C -1.620 176.089 177.584 0.209 0.000 1.094 215 A CA -0.452 51.675 52.037 0.151 0.000 0.718 215 A CB 1.511 20.560 19.000 0.081 0.000 1.307 215 A HN 0.871 nan 8.150 nan 0.000 0.408 216 H N 1.775 120.883 119.070 0.064 0.000 2.808 216 H HA 0.257 4.849 4.556 0.060 0.000 0.268 216 H C -2.416 172.943 175.328 0.051 0.000 1.306 216 H CA -1.352 54.730 56.048 0.058 0.000 1.565 216 H CB 1.661 31.451 29.762 0.048 0.000 1.632 216 H HN 0.341 nan 8.280 nan 0.000 0.525 217 P HA -0.193 nan 4.420 nan 0.000 0.216 217 P C 1.486 178.733 177.300 -0.088 0.000 1.150 217 P CA 1.107 64.166 63.100 -0.067 0.000 0.843 217 P CB 0.305 31.964 31.700 -0.068 0.000 0.787 218 E N -0.313 119.750 120.200 -0.228 0.000 2.147 218 E HA -0.199 4.188 4.350 0.061 0.000 0.199 218 E C 0.797 177.424 176.600 0.044 0.000 1.005 218 E CA 1.937 58.261 56.400 -0.128 0.000 0.810 218 E CB -0.245 29.308 29.700 -0.244 0.000 0.736 218 E HN 0.298 nan 8.360 nan 0.000 0.460 219 T N -2.616 112.032 114.554 0.157 0.000 3.174 219 T HA 0.215 4.602 4.350 0.061 0.000 0.269 219 T C 1.410 176.207 174.700 0.160 0.000 1.017 219 T CA -0.143 62.091 62.100 0.222 0.000 0.899 219 T CB 0.777 69.835 68.868 0.316 0.000 1.077 219 T HN -0.043 nan 8.240 nan 0.000 0.552 220 V N 3.015 122.992 119.914 0.106 0.000 2.490 220 V HA -0.191 3.965 4.120 0.061 0.000 0.250 220 V C 2.758 178.923 176.094 0.118 0.000 1.061 220 V CA 2.331 64.690 62.300 0.099 0.000 1.064 220 V CB -0.503 31.368 31.823 0.082 0.000 0.670 220 V HN 0.769 nan 8.190 nan 0.000 0.461 221 E N -0.786 119.419 120.200 0.008 0.000 2.333 221 E HA -0.258 4.128 4.350 0.061 0.000 0.198 221 E C 1.408 177.795 176.600 -0.355 0.000 1.007 221 E CA 1.294 57.553 56.400 -0.235 0.000 0.845 221 E CB -0.381 28.989 29.700 -0.550 0.000 0.766 221 E HN 0.535 nan 8.360 nan 0.000 0.507 222 D N 1.302 121.750 120.400 0.081 0.000 2.149 222 D HA -0.145 4.532 4.640 0.061 0.000 0.198 222 D C 1.931 178.394 176.300 0.271 0.000 0.990 222 D CA 1.258 55.503 54.000 0.407 0.000 0.839 222 D CB -0.555 40.443 40.800 0.330 0.000 0.948 222 D HN 0.326 nan 8.370 nan 0.000 0.460 223 C N 0.255 119.608 119.300 0.088 0.000 2.413 223 C HA -0.139 4.357 4.460 0.061 0.000 0.276 223 C C 2.460 177.401 174.990 -0.081 0.000 1.248 223 C CA 0.582 59.582 59.018 -0.030 0.000 1.742 223 C CB -1.372 26.275 27.740 -0.155 0.000 2.017 223 C HN 0.456 nan 8.230 nan 0.000 0.481 224 H N -0.511 118.514 119.070 -0.075 0.000 2.389 224 H HA -0.015 4.530 4.556 -0.020 0.000 0.299 224 H C 1.983 177.316 175.328 0.008 0.000 1.081 224 H CA 1.542 57.530 56.048 -0.100 0.000 1.345 224 H CB -0.495 29.125 29.762 -0.237 0.000 1.393 224 H HN 0.500 nan 8.280 nan 0.000 0.520 225 F N -0.142 119.942 119.950 0.223 0.000 2.269 225 F HA -0.150 4.430 4.527 0.088 0.000 0.301 225 F C 2.197 178.091 175.800 0.157 0.000 1.082 225 F CA 0.363 58.438 58.000 0.125 0.000 1.360 225 F CB 0.005 39.041 39.000 0.060 0.000 1.041 225 F HN 0.134 nan 8.300 nan 0.000 0.512 226 L N -0.616 120.869 121.223 0.437 0.000 2.270 226 L HA -0.015 4.362 4.340 0.061 0.000 0.210 226 L C 2.518 179.497 176.870 0.183 0.000 1.104 226 L CA 0.623 55.669 54.840 0.343 0.000 0.804 226 L CB -0.319 41.905 42.059 0.275 0.000 0.937 226 L HN 0.076 nan 8.230 nan 0.000 0.450 227 A N -0.495 122.404 122.820 0.131 0.000 2.119 227 A HA 0.042 4.399 4.320 0.061 0.000 0.217 227 A C 1.991 179.626 177.584 0.085 0.000 1.153 227 A CA 1.089 53.173 52.037 0.078 0.000 0.692 227 A CB -0.386 18.636 19.000 0.036 0.000 0.799 227 A HN 0.381 nan 8.150 nan 0.000 0.458 228 A N -1.051 121.838 122.820 0.115 0.000 2.302 228 A HA 0.503 4.859 4.320 0.061 0.000 0.219 228 A C 1.348 178.975 177.584 0.071 0.000 1.243 228 A CA 0.364 52.457 52.037 0.093 0.000 0.856 228 A CB -0.377 18.692 19.000 0.116 0.000 0.893 228 A HN 0.465 nan 8.150 nan 0.000 0.491 229 I N -1.861 118.758 120.570 0.082 0.000 4.033 229 I HA 0.058 4.265 4.170 0.061 0.000 0.296 229 I C 0.084 176.241 176.117 0.065 0.000 1.210 229 I CA 0.288 61.631 61.300 0.072 0.000 1.341 229 I CB 1.036 39.095 38.000 0.098 0.000 1.369 229 I HN 0.359 nan 8.210 nan 0.000 0.453 230 C N 0.175 119.516 119.300 0.069 0.000 3.164 230 C HA 0.462 4.959 4.460 0.061 0.000 0.250 230 C C -1.788 173.227 174.990 0.042 0.000 1.151 230 C CA -1.564 57.485 59.018 0.051 0.000 1.449 230 C CB -0.321 27.450 27.740 0.052 0.000 1.825 230 C HN 0.084 nan 8.230 nan 0.000 0.478 231 P HA 0.044 nan 4.420 nan 0.000 0.225 231 P C 1.171 178.482 177.300 0.019 0.000 1.148 231 P CA 2.217 65.334 63.100 0.028 0.000 0.779 231 P CB 0.099 31.815 31.700 0.027 0.000 0.780 232 D N -1.521 118.890 120.400 0.017 0.000 2.319 232 D HA 0.119 4.796 4.640 0.061 0.000 0.230 232 D C 0.635 176.940 176.300 0.007 0.000 1.094 232 D CA 0.154 54.161 54.000 0.011 0.000 0.856 232 D CB -0.936 39.871 40.800 0.011 0.000 0.915 232 D HN 0.177 nan 8.370 nan 0.000 0.517 245 T N 0.249 114.774 114.554 -0.048 0.000 2.882 245 T HA 0.388 4.774 4.350 0.061 0.000 0.287 245 T C 1.270 175.946 174.700 -0.039 0.000 1.014 245 T CA 0.430 62.504 62.100 -0.044 0.000 1.049 245 T CB 1.086 69.927 68.868 -0.046 0.000 1.001 245 T HN 0.920 nan 8.240 nan 0.000 0.525 246 R N 1.611 122.089 120.500 -0.037 0.000 2.117 246 R HA -0.102 4.275 4.340 0.061 0.000 0.243 246 R C 2.043 178.322 176.300 -0.035 0.000 1.143 246 R CA 1.718 57.800 56.100 -0.029 0.000 0.968 246 R CB -0.563 29.718 30.300 -0.031 0.000 0.863 246 R HN 0.687 nan 8.270 nan 0.000 0.444 247 M N -0.475 119.100 119.600 -0.042 0.000 2.200 247 M HA -0.010 4.506 4.480 0.061 0.000 0.265 247 M C 1.994 178.272 176.300 -0.037 0.000 1.066 247 M CA 1.603 56.878 55.300 -0.042 0.000 1.127 247 M CB -0.164 32.408 32.600 -0.046 0.000 1.379 247 M HN 0.150 nan 8.290 nan 0.000 0.420 248 A N -1.406 121.394 122.820 -0.035 0.000 2.014 248 A HA -0.012 4.345 4.320 0.061 0.000 0.218 248 A C 2.121 179.690 177.584 -0.025 0.000 1.163 248 A CA 1.315 53.335 52.037 -0.029 0.000 0.652 248 A CB -0.855 18.127 19.000 -0.030 0.000 0.808 248 A HN 0.304 nan 8.150 nan 0.000 0.449 249 V N 0.122 120.019 119.914 -0.028 0.000 2.307 249 V HA -0.271 3.886 4.120 0.061 0.000 0.245 249 V C 2.669 178.742 176.094 -0.034 0.000 1.045 249 V CA 1.905 64.190 62.300 -0.026 0.000 1.024 249 V CB -0.646 31.161 31.823 -0.027 0.000 0.651 249 V HN 0.512 nan 8.190 nan 0.000 0.449 250 M N 0.376 119.954 119.600 -0.037 0.000 2.082 250 M HA -0.246 4.271 4.480 0.061 0.000 0.258 250 M C 2.584 178.858 176.300 -0.044 0.000 1.069 250 M CA 2.770 58.044 55.300 -0.044 0.000 1.102 250 M CB -1.151 31.423 32.600 -0.044 0.000 1.336 250 M HN 0.518 nan 8.290 nan 0.000 0.404 251 K N 0.257 120.636 120.400 -0.034 0.000 2.057 251 K HA 0.054 4.411 4.320 0.061 0.000 0.207 251 K C 2.161 178.749 176.600 -0.021 0.000 1.049 251 K CA 1.753 58.023 56.287 -0.027 0.000 0.931 251 K CB -1.395 31.092 32.500 -0.022 0.000 0.714 251 K HN 0.505 nan 8.250 nan 0.000 0.440 252 A N 0.767 123.577 122.820 -0.016 0.000 1.902 252 A HA 0.068 4.424 4.320 0.061 0.000 0.217 252 A C 2.447 180.022 177.584 -0.015 0.000 1.181 252 A CA 1.463 53.501 52.037 0.001 0.000 0.623 252 A CB -0.296 18.716 19.000 0.021 0.000 0.818 252 A HN 0.425 nan 8.150 nan 0.000 0.443 253 L N -0.251 120.930 121.223 -0.069 0.000 2.201 253 L HA -0.133 4.243 4.340 0.061 0.000 0.212 253 L C 2.395 179.163 176.870 -0.171 0.000 1.105 253 L CA 0.801 55.517 54.840 -0.207 0.000 0.775 253 L CB -0.497 41.370 42.059 -0.320 0.000 0.913 253 L HN 0.451 nan 8.230 nan 0.000 0.440 254 N N 0.747 119.407 118.700 -0.067 0.000 2.244 254 N HA -0.174 4.602 4.740 0.061 0.000 0.183 254 N C 1.827 177.342 175.510 0.009 0.000 1.016 254 N CA 1.793 54.833 53.050 -0.017 0.000 0.866 254 N CB 0.256 38.731 38.487 -0.019 0.000 0.980 254 N HN 0.363 nan 8.380 nan 0.000 0.430 255 K N 0.457 120.861 120.400 0.007 0.000 2.354 255 K HA 0.192 4.549 4.320 0.061 0.000 0.194 255 K C 0.908 177.535 176.600 0.045 0.000 1.038 255 K CA -0.159 56.144 56.287 0.026 0.000 1.052 255 K CB -0.136 32.377 32.500 0.021 0.000 0.861 255 K HN 0.240 nan 8.250 nan 0.000 0.535 256 I N 2.613 123.212 120.570 0.049 0.000 2.618 256 I HA 0.009 4.215 4.170 0.061 0.000 0.284 256 I C -0.208 175.978 176.117 0.114 0.000 1.146 256 I CA -0.261 61.096 61.300 0.094 0.000 1.425 256 I CB 1.016 39.101 38.000 0.141 0.000 1.383 256 I HN 0.087 nan 8.210 nan 0.000 0.562 257 K N 6.056 126.525 120.400 0.116 0.000 2.448 257 K HA -0.044 4.313 4.320 0.061 0.000 0.278 257 K C 1.037 177.741 176.600 0.173 0.000 1.009 257 K CA 0.134 56.493 56.287 0.119 0.000 0.995 257 K CB 1.131 33.686 32.500 0.092 0.000 0.917 257 K HN 0.850 nan 8.250 nan 0.000 0.481 258 E N 1.655 121.956 120.200 0.168 0.000 2.070 258 E HA -0.298 4.089 4.350 0.061 0.000 0.197 258 E C 2.090 178.824 176.600 0.223 0.000 1.004 258 E CA 2.149 58.673 56.400 0.208 0.000 0.805 258 E CB 0.112 29.894 29.700 0.137 0.000 0.744 258 E HN 0.668 nan 8.360 nan 0.000 0.451 259 E N 0.134 120.420 120.200 0.144 0.000 2.110 259 E HA -0.207 4.179 4.350 0.061 0.000 0.193 259 E C 1.624 178.289 176.600 0.108 0.000 0.988 259 E CA 1.449 57.914 56.400 0.110 0.000 0.804 259 E CB -0.775 28.964 29.700 0.066 0.000 0.745 259 E HN 0.450 nan 8.360 nan 0.000 0.458 260 D N -0.255 120.218 120.400 0.122 0.000 2.144 260 D HA -0.008 4.669 4.640 0.061 0.000 0.200 260 D C 1.634 178.019 176.300 0.142 0.000 0.978 260 D CA 1.197 55.257 54.000 0.099 0.000 0.833 260 D CB -0.558 40.302 40.800 0.100 0.000 0.961 260 D HN 0.415 nan 8.370 nan 0.000 0.470 261 F N 1.364 121.391 119.950 0.128 0.000 2.102 261 F HA -0.134 4.429 4.527 0.060 0.000 0.298 261 F C 2.134 178.061 175.800 0.212 0.000 1.105 261 F CA 1.201 59.344 58.000 0.240 0.000 1.239 261 F CB -0.223 38.934 39.000 0.262 0.000 0.991 261 F HN -0.131 nan 8.300 nan 0.000 0.474 262 L N 0.221 121.622 121.223 0.297 0.000 2.201 262 L HA -0.194 4.183 4.340 0.061 0.000 0.212 262 L C 2.459 179.317 176.870 -0.019 0.000 1.105 262 L CA 1.460 56.395 54.840 0.158 0.000 0.775 262 L CB -0.722 41.447 42.059 0.183 0.000 0.913 262 L HN 0.146 nan 8.230 nan 0.000 0.440 263 K N 0.046 120.417 120.400 -0.048 0.000 2.057 263 K HA -0.257 4.100 4.320 0.061 0.000 0.207 263 K C 2.234 178.679 176.600 -0.258 0.000 1.049 263 K CA 1.522 57.737 56.287 -0.120 0.000 0.931 263 K CB 0.110 32.555 32.500 -0.091 0.000 0.714 263 K HN 0.085 nan 8.250 nan 0.000 0.440 264 Q N -0.512 119.040 119.800 -0.412 0.000 2.165 264 Q HA 0.115 4.492 4.340 0.061 0.000 0.197 264 Q C -0.513 174.935 176.000 -0.920 0.000 0.952 264 Q CA 1.088 56.412 55.803 -0.799 0.000 0.848 264 Q CB 0.340 28.389 28.738 -1.149 0.000 0.931 264 Q HN 0.177 nan 8.270 nan 0.000 0.470 265 F N 0.801 120.473 119.950 -0.464 0.000 2.495 265 F HA 0.497 5.056 4.527 0.054 0.000 0.327 265 F C -1.983 173.660 175.800 -0.263 0.000 1.103 265 F CA -2.880 54.846 58.000 -0.456 0.000 0.949 265 F CB 1.445 39.942 39.000 -0.838 0.000 1.142 265 F HN -0.099 nan 8.300 nan 0.000 0.457 266 P HA 0.012 nan 4.420 nan 0.000 0.268 266 P C -0.742 176.628 177.300 0.116 0.000 1.204 266 P CA -0.157 62.977 63.100 0.057 0.000 0.768 266 P CB 0.621 32.355 31.700 0.056 0.000 0.842 267 C N 5.682 125.039 119.300 0.096 0.000 3.445 267 C HA 0.495 4.991 4.460 0.061 0.000 0.213 267 C C -2.607 172.409 174.990 0.043 0.000 1.319 267 C CA -1.461 57.622 59.018 0.108 0.000 1.402 267 C CB -1.079 26.765 27.740 0.174 0.000 1.819 267 C HN 0.491 nan 8.230 nan 0.000 0.491 268 P HA 0.627 nan 4.420 nan 0.000 0.287 268 P C -2.941 174.382 177.300 0.038 0.000 1.290 268 P CA -1.861 61.247 63.100 0.015 0.000 0.889 268 P CB 0.783 32.471 31.700 -0.021 0.000 1.190 269 P HA 0.071 nan 4.420 nan 0.000 0.269 269 P C -0.604 176.711 177.300 0.026 0.000 1.209 269 P CA 0.099 63.230 63.100 0.053 0.000 0.776 269 P CB 0.423 32.151 31.700 0.047 0.000 0.876 270 N N 0.467 119.188 118.700 0.035 0.000 2.524 270 N HA 0.113 4.889 4.740 0.061 0.000 0.283 270 N C 0.117 175.639 175.510 0.019 0.000 1.142 270 N CA -0.155 52.910 53.050 0.025 0.000 0.984 270 N CB 0.292 38.799 38.487 0.034 0.000 1.155 270 N HN 0.271 nan 8.380 nan 0.000 0.467 271 S N 2.175 117.881 115.700 0.010 0.000 2.516 271 S HA 0.198 4.705 4.470 0.061 0.000 0.282 271 S C -1.726 172.891 174.600 0.029 0.000 1.286 271 S CA -0.779 57.425 58.200 0.007 0.000 1.066 271 S CB 0.228 63.428 63.200 0.000 0.000 0.884 271 S HN 0.436 nan 8.310 nan 0.000 0.491 272 P HA 0.412 nan 4.420 nan 0.000 0.279 272 P C 0.582 177.935 177.300 0.089 0.000 1.276 272 P CA -0.493 62.664 63.100 0.095 0.000 0.801 272 P CB 0.613 32.404 31.700 0.152 0.000 1.127 273 K N -0.567 119.897 120.400 0.106 0.000 2.167 273 K HA 0.327 4.684 4.320 0.061 0.000 0.203 273 K C 1.251 177.904 176.600 0.089 0.000 1.052 273 K CA 1.437 57.770 56.287 0.076 0.000 0.956 273 K CB -0.669 31.865 32.500 0.058 0.000 0.735 273 K HN 0.849 nan 8.250 nan 0.000 0.451 274 A N -0.629 122.282 122.820 0.151 0.000 2.469 274 A HA 0.669 5.026 4.320 0.061 0.000 0.299 274 A C -0.181 177.557 177.584 0.256 0.000 1.098 274 A CA -0.440 51.693 52.037 0.160 0.000 0.737 274 A CB 1.652 20.721 19.000 0.114 0.000 1.312 274 A HN 0.183 nan 8.150 nan 0.000 0.414 275 V N -0.102 119.928 119.914 0.193 0.000 3.441 275 V HA 0.111 4.268 4.120 0.061 0.000 0.300 275 V C 0.888 177.215 176.094 0.389 0.000 1.091 275 V CA -0.546 61.890 62.300 0.226 0.000 1.099 275 V CB 0.876 32.804 31.823 0.175 0.000 1.138 275 V HN 1.007 nan 8.190 nan 0.000 0.471 276 C N 2.199 121.723 119.300 0.373 0.000 2.641 276 C HA 0.391 4.888 4.460 0.061 0.000 0.412 276 C C 0.949 176.129 174.990 0.317 0.000 1.312 276 C CA -0.310 58.909 59.018 0.335 0.000 1.838 276 C CB -0.734 27.044 27.740 0.063 0.000 2.682 276 C HN 0.996 nan 8.230 nan 0.000 0.627 277 A N 3.083 126.041 122.820 0.230 0.000 2.316 277 A HA 0.545 4.902 4.320 0.061 0.000 0.284 277 A C -0.263 177.379 177.584 0.098 0.000 1.115 277 A CA -0.324 51.814 52.037 0.169 0.000 0.812 277 A CB 0.310 19.375 19.000 0.109 0.000 1.064 277 A HN 0.763 nan 8.150 nan 0.000 0.489 278 V N 4.242 124.176 119.914 0.035 0.000 2.427 278 V HA 0.033 4.189 4.120 0.061 0.000 0.268 278 V C 1.375 177.434 176.094 -0.059 0.000 1.046 278 V CA 0.019 62.242 62.300 -0.127 0.000 0.970 278 V CB 0.625 32.442 31.823 -0.010 0.000 1.001 278 V HN 0.928 nan 8.190 nan 0.000 0.476 279 L N 3.646 124.806 121.223 -0.105 0.000 2.127 279 L HA 0.261 4.638 4.340 0.061 0.000 0.203 279 L C 0.749 177.589 176.870 -0.051 0.000 1.080 279 L CA 1.318 56.128 54.840 -0.049 0.000 0.768 279 L CB 0.467 42.500 42.059 -0.044 0.000 0.924 279 L HN 0.702 nan 8.230 nan 0.000 0.444 280 E N -0.537 119.608 120.200 -0.093 0.000 2.343 280 E HA 0.450 4.836 4.350 0.061 0.000 0.278 280 E C -1.377 175.175 176.600 -0.081 0.000 0.910 280 E CA -0.388 55.972 56.400 -0.067 0.000 0.757 280 E CB 2.821 32.479 29.700 -0.070 0.000 1.218 280 E HN 0.001 nan 8.360 nan 0.000 0.435 281 I N 2.218 122.769 120.570 -0.031 0.000 2.439 281 I HA 0.368 4.574 4.170 0.061 0.000 0.285 281 I C -0.713 175.403 176.117 -0.001 0.000 1.021 281 I CA -0.427 60.865 61.300 -0.013 0.000 1.091 281 I CB 1.840 39.848 38.000 0.014 0.000 1.242 281 I HN 0.430 nan 8.210 nan 0.000 0.439 282 E N 4.890 125.074 120.200 -0.026 0.000 2.367 282 E HA 0.744 5.131 4.350 0.061 0.000 0.273 282 E C -1.520 175.023 176.600 -0.095 0.000 0.903 282 E CA -0.430 55.954 56.400 -0.027 0.000 0.764 282 E CB 2.196 31.870 29.700 -0.044 0.000 1.252 282 E HN 0.682 nan 8.360 nan 0.000 0.446 283 C N 0.916 120.168 119.300 -0.078 0.000 2.994 283 C HA 1.064 5.561 4.460 0.061 0.000 0.304 283 C C -0.635 174.135 174.990 -0.366 0.000 1.273 283 C CA -0.727 58.091 59.018 -0.333 0.000 1.537 283 C CB 0.606 28.119 27.740 -0.377 0.000 2.001 283 C HN 0.801 nan 8.230 nan 0.000 0.471 284 A N 0.478 122.866 122.820 -0.719 0.000 2.604 284 A HA 0.783 5.139 4.320 0.061 0.000 0.295 284 A C -1.663 175.555 177.584 -0.610 0.000 1.067 284 A CA -0.328 51.372 52.037 -0.561 0.000 0.683 284 A CB 1.011 19.876 19.000 -0.225 0.000 1.281 284 A HN 1.236 nan 8.150 nan 0.000 0.407 285 H N 0.274 119.097 119.070 -0.412 0.000 2.459 285 H HA 0.559 5.151 4.556 0.061 0.000 0.332 285 H C 0.830 176.151 175.328 -0.011 0.000 1.094 285 H CA 0.716 56.713 56.048 -0.086 0.000 1.224 285 H CB 1.501 31.323 29.762 0.099 0.000 1.449 285 H HN 1.039 nan 8.280 nan 0.000 0.484 286 G N 2.457 111.205 108.800 -0.087 0.000 2.630 286 G HA2 0.314 4.311 3.960 0.061 0.000 0.236 286 G HA3 0.314 4.311 3.960 0.061 0.000 0.236 286 G C -0.206 174.829 174.900 0.226 0.000 1.248 286 G CA -0.077 45.050 45.100 0.045 0.000 0.844 286 G HN 0.875 nan 8.290 nan 0.000 0.588 287 A N 0.126 123.015 122.820 0.116 0.000 2.498 287 A HA 0.481 4.837 4.320 0.061 0.000 0.239 287 A C 0.374 177.973 177.584 0.024 0.000 1.068 287 A CA -0.066 51.970 52.037 -0.002 0.000 0.766 287 A CB 0.408 19.289 19.000 -0.199 0.000 1.003 287 A HN 0.846 nan 8.150 nan 0.000 0.497 288 V N 1.246 121.111 119.914 -0.081 0.000 2.994 288 V HA 0.637 4.794 4.120 0.061 0.000 0.318 288 V C -0.632 175.268 176.094 -0.322 0.000 1.085 288 V CA -0.329 61.976 62.300 0.008 0.000 0.998 288 V CB 1.659 33.559 31.823 0.129 0.000 1.063 288 V HN 0.729 nan 8.190 nan 0.000 0.447 289 F N 0.614 120.559 119.950 -0.008 0.000 2.540 289 F HA 0.699 5.262 4.527 0.061 0.000 0.317 289 F C -0.217 175.551 175.800 -0.053 0.000 1.104 289 F CA -0.827 57.161 58.000 -0.021 0.000 0.913 289 F CB 2.114 41.147 39.000 0.055 0.000 1.170 289 F HN 0.098 nan 8.300 nan 0.000 0.450 290 V N 2.565 122.513 119.914 0.057 0.000 2.555 290 V HA 0.887 5.044 4.120 0.061 0.000 0.302 290 V C -0.351 175.747 176.094 0.008 0.000 1.038 290 V CA -0.651 61.662 62.300 0.022 0.000 0.887 290 V CB 1.523 33.325 31.823 -0.036 0.000 0.991 290 V HN 0.915 nan 8.190 nan 0.000 0.434 291 A N 2.854 125.593 122.820 -0.135 0.000 2.430 291 A HA 1.073 5.430 4.320 0.061 0.000 0.300 291 A C 0.018 177.207 177.584 -0.658 0.000 1.124 291 A CA 0.000 51.782 52.037 -0.426 0.000 0.766 291 A CB 2.161 20.974 19.000 -0.312 0.000 1.328 291 A HN 1.415 nan 8.150 nan 0.000 0.424 292 G N -0.251 107.883 108.800 -1.109 0.000 2.494 292 G HA2 0.574 4.571 3.960 0.061 0.000 0.308 292 G HA3 0.574 4.571 3.960 0.061 0.000 0.308 292 G C -1.572 173.003 174.900 -0.542 0.000 1.263 292 G CA -0.794 43.881 45.100 -0.709 0.000 0.840 292 G HN 0.728 nan 8.290 nan 0.000 0.479 293 R N -0.597 119.889 120.500 -0.022 0.000 2.686 293 R HA 0.562 4.938 4.340 0.061 0.000 0.286 293 R C -1.390 175.179 176.300 0.448 0.000 0.969 293 R CA -0.790 55.414 56.100 0.173 0.000 0.898 293 R CB 2.179 32.475 30.300 -0.007 0.000 1.183 293 R HN 0.719 nan 8.270 nan 0.000 0.456 294 Y N -0.346 120.163 120.300 0.349 0.000 2.409 294 Y HA 0.541 5.128 4.550 0.061 0.000 0.339 294 Y C -0.883 175.027 175.900 0.017 0.000 1.033 294 Y CA -1.080 57.105 58.100 0.142 0.000 1.094 294 Y CB 1.155 39.608 38.460 -0.013 0.000 1.210 294 Y HN 0.442 nan 8.280 nan 0.000 0.456 295 N N 2.543 121.308 118.700 0.108 0.000 2.492 295 N HA 0.380 5.157 4.740 0.061 0.000 0.289 295 N C -1.525 173.876 175.510 -0.181 0.000 1.133 295 N CA -1.188 51.769 53.050 -0.154 0.000 0.961 295 N CB 1.390 39.703 38.487 -0.289 0.000 1.186 295 N HN 0.625 nan 8.380 nan 0.000 0.493 296 K N 1.834 122.001 120.400 -0.389 0.000 2.507 296 K HA 0.237 4.594 4.320 0.061 0.000 0.252 296 K C -0.974 175.384 176.600 -0.403 0.000 0.943 296 K CA -0.393 55.752 56.287 -0.235 0.000 0.808 296 K CB 0.731 33.264 32.500 0.056 0.000 1.142 296 K HN 0.658 nan 8.250 nan 0.000 0.426 297 Y N 0.547 120.889 120.300 0.071 0.000 2.430 297 Y HA 0.147 4.733 4.550 0.061 0.000 0.248 297 Y C 1.076 177.003 175.900 0.044 0.000 1.108 297 Y CA -0.420 57.711 58.100 0.052 0.000 1.264 297 Y CB 1.433 39.917 38.460 0.040 0.000 1.172 297 Y HN 0.410 nan 8.280 nan 0.000 0.520 298 S N 0.931 116.717 115.700 0.143 0.000 2.584 298 S HA 0.270 4.776 4.470 0.061 0.000 0.273 298 S C 0.846 175.492 174.600 0.077 0.000 1.311 298 S CA -0.546 57.714 58.200 0.099 0.000 1.034 298 S CB 0.726 63.971 63.200 0.074 0.000 0.939 298 S HN 0.370 nan 8.310 nan 0.000 0.513 299 R N 2.505 123.049 120.500 0.072 0.000 2.507 299 R HA 0.206 4.582 4.340 0.061 0.000 0.298 299 R C -0.099 176.242 176.300 0.068 0.000 0.999 299 R CA -0.015 56.126 56.100 0.067 0.000 1.082 299 R CB -0.101 30.237 30.300 0.063 0.000 1.246 299 R HN 0.534 nan 8.270 nan 0.000 0.553 300 N N 0.790 119.531 118.700 0.068 0.000 2.536 300 N HA 0.155 4.932 4.740 0.061 0.000 0.286 300 N C -1.439 174.120 175.510 0.081 0.000 1.577 300 N CA -0.107 52.990 53.050 0.078 0.000 0.883 300 N CB 0.680 39.204 38.487 0.062 0.000 1.390 300 N HN 0.064 nan 8.380 nan 0.000 0.491 301 L N 0.662 121.929 121.223 0.072 0.000 2.439 301 L HA 0.713 5.090 4.340 0.061 0.000 0.270 301 L C -2.811 174.084 176.870 0.042 0.000 0.972 301 L CA -1.743 53.128 54.840 0.052 0.000 0.836 301 L CB 2.296 44.365 42.059 0.017 0.000 1.255 301 L HN -0.017 nan 8.230 nan 0.000 0.404 302 P HA 0.099 nan 4.420 nan 0.000 0.276 302 P C -0.343 176.926 177.300 -0.051 0.000 1.252 302 P CA -0.261 62.848 63.100 0.015 0.000 0.802 302 P CB 1.207 32.957 31.700 0.084 0.000 1.035 303 Q N 0.135 119.899 119.800 -0.061 0.000 2.123 303 Q HA -0.027 4.350 4.340 0.061 0.000 0.199 303 Q C 0.413 176.295 176.000 -0.198 0.000 0.966 303 Q CA 1.342 57.079 55.803 -0.110 0.000 0.845 303 Q CB 0.071 28.828 28.738 0.031 0.000 0.907 303 Q HN 0.684 nan 8.270 nan 0.000 0.439 304 T N -2.284 112.213 114.554 -0.095 0.000 2.916 304 T HA 0.523 4.910 4.350 0.061 0.000 0.292 304 T C -2.863 171.836 174.700 -0.002 0.000 1.064 304 T CA -2.272 59.780 62.100 -0.080 0.000 1.011 304 T CB 1.707 70.583 68.868 0.014 0.000 1.152 304 T HN -0.157 nan 8.240 nan 0.000 0.510 305 P HA 0.063 nan 4.420 nan 0.000 0.261 305 P C -1.273 176.137 177.300 0.183 0.000 1.183 305 P CA 0.020 63.167 63.100 0.079 0.000 0.761 305 P CB 0.134 31.865 31.700 0.051 0.000 0.785 306 W N 7.107 128.399 121.300 -0.013 0.000 2.309 306 W HA 0.462 5.158 4.660 0.060 0.000 0.332 306 W C -1.375 175.143 176.519 -0.002 0.000 0.962 306 W CA -0.885 56.460 57.345 0.000 0.000 1.497 306 W CB -0.248 29.214 29.460 0.004 0.000 1.308 306 W HN 0.227 nan 8.180 nan 0.000 0.384 307 I N 7.342 128.032 120.570 0.202 0.000 2.389 307 I HA 0.159 4.366 4.170 0.061 0.000 0.288 307 I C 0.658 176.798 176.117 0.039 0.000 0.999 307 I CA -0.590 60.734 61.300 0.039 0.000 1.129 307 I CB 1.915 39.939 38.000 0.040 0.000 1.288 307 I HN 0.229 nan 8.210 nan 0.000 0.444 308 I N 3.527 124.064 120.570 -0.057 0.000 2.810 308 I HA 0.116 4.323 4.170 0.061 0.000 0.262 308 I C 0.712 176.820 176.117 -0.014 0.000 1.131 308 I CA 1.503 62.782 61.300 -0.035 0.000 1.453 308 I CB 0.345 38.272 38.000 -0.123 0.000 1.161 308 I HN 0.515 nan 8.210 nan 0.000 0.444 309 D N -0.519 119.863 120.400 -0.031 0.000 2.822 309 D HA 0.326 5.003 4.640 0.061 0.000 0.327 309 D C 0.954 177.242 176.300 -0.020 0.000 1.577 309 D CA 0.751 54.739 54.000 -0.020 0.000 0.785 309 D CB 0.807 41.590 40.800 -0.028 0.000 1.199 309 D HN 0.322 nan 8.370 nan 0.000 0.443 310 G N 1.200 109.990 108.800 -0.017 0.000 2.199 310 G HA2 -0.273 3.724 3.960 0.061 0.000 0.254 310 G HA3 -0.273 3.724 3.960 0.061 0.000 0.254 310 G C 0.248 175.128 174.900 -0.032 0.000 0.982 310 G CA -0.073 45.015 45.100 -0.019 0.000 0.632 310 G HN 0.350 nan 8.290 nan 0.000 0.529 311 E N 0.997 121.168 120.200 -0.048 0.000 2.227 311 E HA 0.444 4.831 4.350 0.061 0.000 0.282 311 E C 0.340 176.880 176.600 -0.099 0.000 1.015 311 E CA -0.868 55.489 56.400 -0.071 0.000 0.823 311 E CB 0.778 30.428 29.700 -0.083 0.000 1.081 311 E HN 0.099 nan 8.360 nan 0.000 0.396 312 R N 2.635 123.077 120.500 -0.097 0.000 2.401 312 R HA 0.021 4.398 4.340 0.061 0.000 0.299 312 R C 0.726 176.893 176.300 -0.221 0.000 1.064 312 R CA 0.023 56.051 56.100 -0.119 0.000 1.000 312 R CB 0.813 31.069 30.300 -0.073 0.000 0.973 312 R HN 0.445 nan 8.270 nan 0.000 0.438 313 K N 2.173 122.337 120.400 -0.394 0.000 2.116 313 K HA 0.127 4.483 4.320 0.061 0.000 0.203 313 K C 0.366 176.691 176.600 -0.457 0.000 1.052 313 K CA 1.160 57.040 56.287 -0.678 0.000 0.952 313 K CB 0.337 31.847 32.500 -1.651 0.000 0.729 313 K HN 0.420 nan 8.250 nan 0.000 0.446 314 L N 0.038 121.127 121.223 -0.223 0.000 2.327 314 L HA 0.379 4.756 4.340 0.061 0.000 0.258 314 L C -0.578 176.291 176.870 -0.002 0.000 1.024 314 L CA -1.106 53.715 54.840 -0.031 0.000 0.825 314 L CB 1.958 44.105 42.059 0.146 0.000 1.386 314 L HN -0.002 nan 8.230 nan 0.000 0.417 315 E N 1.132 121.334 120.200 0.003 0.000 2.289 315 E HA 0.296 4.683 4.350 0.061 0.000 0.278 315 E C -0.133 176.472 176.600 0.009 0.000 1.032 315 E CA 0.342 56.741 56.400 -0.001 0.000 0.854 315 E CB 1.168 30.863 29.700 -0.008 0.000 1.046 315 E HN 0.607 nan 8.360 nan 0.000 0.409 316 S N 2.534 118.234 115.700 -0.002 0.000 3.513 316 S HA -0.217 4.289 4.470 0.061 0.000 0.636 316 S C -0.848 173.739 174.600 -0.022 0.000 2.452 316 S CA 0.707 58.895 58.200 -0.019 0.000 2.644 316 S CB -0.979 62.202 63.200 -0.031 0.000 0.331 316 S HN 1.098 nan 8.310 nan 0.000 1.787 317 S N -1.551 114.104 115.700 -0.075 0.000 2.615 317 S HA 0.567 5.073 4.470 0.061 0.000 0.268 317 S C 0.562 175.022 174.600 -0.234 0.000 1.146 317 S CA -0.279 57.846 58.200 -0.125 0.000 0.818 317 S CB 0.996 64.117 63.200 -0.131 0.000 1.111 317 S HN 1.367 nan 8.310 nan 0.000 0.465 318 V N 1.538 121.256 119.914 -0.326 0.000 2.252 318 V HA -0.221 3.936 4.120 0.061 0.000 0.249 318 V C 2.772 178.459 176.094 -0.678 0.000 1.056 318 V CA 2.655 64.646 62.300 -0.516 0.000 1.022 318 V CB -1.170 30.216 31.823 -0.728 0.000 0.641 318 V HN 1.051 nan 8.190 nan 0.000 0.445 319 E N 0.212 119.879 120.200 -0.887 0.000 2.065 319 E HA -0.317 4.069 4.350 0.061 0.000 0.201 319 E C 2.152 178.432 176.600 -0.533 0.000 1.016 319 E CA 2.201 57.940 56.400 -1.103 0.000 0.818 319 E CB -0.180 28.985 29.700 -0.892 0.000 0.749 319 E HN 0.748 nan 8.360 nan 0.000 0.453 320 E N 0.185 120.201 120.200 -0.306 0.000 2.106 320 E HA -0.130 4.257 4.350 0.061 0.000 0.192 320 E C 2.307 178.783 176.600 -0.206 0.000 0.984 320 E CA 0.882 57.177 56.400 -0.175 0.000 0.806 320 E CB -0.033 29.619 29.700 -0.080 0.000 0.750 320 E HN 0.345 nan 8.360 nan 0.000 0.458 321 L N 0.615 121.717 121.223 -0.202 0.000 2.131 321 L HA -0.167 4.210 4.340 0.061 0.000 0.210 321 L C 2.284 179.113 176.870 -0.068 0.000 1.092 321 L CA 0.882 55.652 54.840 -0.118 0.000 0.759 321 L CB -0.293 41.706 42.059 -0.099 0.000 0.903 321 L HN 0.185 nan 8.230 nan 0.000 0.435 322 I N -1.178 119.270 120.570 -0.202 0.000 2.277 322 I HA -0.180 4.026 4.170 0.061 0.000 0.243 322 I C 2.314 178.365 176.117 -0.109 0.000 1.094 322 I CA 1.099 62.301 61.300 -0.163 0.000 1.393 322 I CB -0.150 37.626 38.000 -0.374 0.000 1.078 322 I HN 0.099 nan 8.210 nan 0.000 0.417 323 S N -0.161 115.345 115.700 -0.323 0.000 2.478 323 S HA -0.043 4.463 4.470 0.061 0.000 0.222 323 S C 1.144 175.493 174.600 -0.418 0.000 1.008 323 S CA 0.431 58.303 58.200 -0.546 0.000 0.928 323 S CB -0.137 62.226 63.200 -1.394 0.000 0.781 323 S HN 0.336 nan 8.310 nan 0.000 0.518 324 D N 1.108 121.320 120.400 -0.315 0.000 2.371 324 D HA 0.016 4.692 4.640 0.061 0.000 0.234 324 D C 0.868 176.975 176.300 -0.321 0.000 1.049 324 D CA 0.669 54.513 54.000 -0.260 0.000 0.907 324 D CB -0.105 40.545 40.800 -0.249 0.000 0.891 324 D HN 0.549 nan 8.370 nan 0.000 0.531 325 H N -1.131 117.905 119.070 -0.056 0.000 2.639 325 H HA 0.269 4.861 4.556 0.061 0.000 0.267 325 H C 1.902 177.246 175.328 0.026 0.000 0.958 325 H CA 0.125 56.166 56.048 -0.011 0.000 1.221 325 H CB 0.574 30.328 29.762 -0.014 0.000 1.446 325 H HN 0.011 nan 8.280 nan 0.000 0.512 326 L N 0.173 121.467 121.223 0.119 0.000 2.270 326 L HA -0.029 4.348 4.340 0.061 0.000 0.210 326 L C 1.591 178.614 176.870 0.254 0.000 1.104 326 L CA 0.543 55.497 54.840 0.189 0.000 0.804 326 L CB 0.024 42.129 42.059 0.076 0.000 0.937 326 L HN 0.308 nan 8.230 nan 0.000 0.450 327 L N -0.778 120.546 121.223 0.167 0.000 2.156 327 L HA -0.128 4.248 4.340 0.061 0.000 0.208 327 L C 2.733 179.708 176.870 0.174 0.000 1.095 327 L CA 0.981 55.939 54.840 0.195 0.000 0.770 327 L CB -0.600 41.568 42.059 0.181 0.000 0.914 327 L HN 0.228 nan 8.230 nan 0.000 0.439 328 A N -0.604 122.293 122.820 0.130 0.000 1.968 328 A HA -0.136 4.221 4.320 0.061 0.000 0.217 328 A C 2.353 179.999 177.584 0.104 0.000 1.169 328 A CA 1.555 53.648 52.037 0.094 0.000 0.638 328 A CB -0.602 18.438 19.000 0.066 0.000 0.812 328 A HN 0.236 nan 8.150 nan 0.000 0.446 329 V N -1.552 118.440 119.914 0.131 0.000 2.302 329 V HA -0.089 4.067 4.120 0.061 0.000 0.243 329 V C 1.945 178.074 176.094 0.057 0.000 1.036 329 V CA 1.862 64.196 62.300 0.058 0.000 1.020 329 V CB -0.530 31.270 31.823 -0.038 0.000 0.657 329 V HN 0.480 nan 8.190 nan 0.000 0.453 330 F N 0.768 120.817 119.950 0.164 0.000 2.811 330 F HA 0.335 4.899 4.527 0.061 0.000 0.301 330 F C 1.332 177.237 175.800 0.175 0.000 1.151 330 F CA 0.221 58.351 58.000 0.217 0.000 1.412 330 F CB -0.393 38.674 39.000 0.113 0.000 1.113 330 F HN 0.159 nan 8.300 nan 0.000 0.579 331 K N 0.213 120.760 120.400 0.245 0.000 3.278 331 K HA -0.181 4.175 4.320 0.061 0.000 0.270 331 K C -0.085 176.652 176.600 0.228 0.000 0.955 331 K CA 0.242 56.618 56.287 0.148 0.000 0.723 331 K CB -1.666 30.870 32.500 0.060 0.000 1.382 331 K HN 0.261 nan 8.250 nan 0.000 0.461 332 A N 0.743 123.708 122.820 0.242 0.000 2.320 332 A HA 0.381 4.738 4.320 0.061 0.000 0.334 332 A C 1.205 178.896 177.584 0.178 0.000 1.147 332 A CA -0.506 51.678 52.037 0.245 0.000 0.820 332 A CB 0.737 19.871 19.000 0.223 0.000 1.218 332 A HN 0.428 nan 8.150 nan 0.000 0.482 333 E N 0.429 120.731 120.200 0.169 0.000 2.318 333 E HA 0.142 4.529 4.350 0.061 0.000 0.193 333 E C 0.426 177.076 176.600 0.083 0.000 0.998 333 E CA 0.899 57.368 56.400 0.116 0.000 0.859 333 E CB -0.055 29.717 29.700 0.121 0.000 0.812 333 E HN 0.689 nan 8.360 nan 0.000 0.492 334 S N -0.157 115.597 115.700 0.091 0.000 2.636 334 S HA 0.554 5.060 4.470 0.061 0.000 0.266 334 S C -1.094 173.564 174.600 0.097 0.000 1.147 334 S CA -1.096 57.121 58.200 0.029 0.000 0.815 334 S CB 0.829 63.992 63.200 -0.061 0.000 1.119 334 S HN 0.365 nan 8.310 nan 0.000 0.470 335 F N -0.522 119.434 119.950 0.010 0.000 2.613 335 F HA 0.835 5.400 4.527 0.062 0.000 0.310 335 F C -1.415 174.403 175.800 0.030 0.000 1.085 335 F CA -0.925 57.074 58.000 -0.002 0.000 0.945 335 F CB 1.495 40.502 39.000 0.011 0.000 1.298 335 F HN 0.544 nan 8.300 nan 0.000 0.455 336 N N 2.314 121.167 118.700 0.255 0.000 2.399 336 N HA 0.313 5.090 4.740 0.061 0.000 0.280 336 N C -1.953 173.802 175.510 0.409 0.000 1.008 336 N CA -0.326 52.858 53.050 0.224 0.000 0.894 336 N CB 2.379 40.931 38.487 0.108 0.000 1.273 336 N HN 0.763 nan 8.380 nan 0.000 0.486 337 F N 1.502 121.648 119.950 0.327 0.000 2.404 337 F HA 0.534 5.097 4.527 0.060 0.000 0.339 337 F C 0.167 176.098 175.800 0.218 0.000 1.105 337 F CA -0.156 58.015 58.000 0.286 0.000 1.087 337 F CB 1.115 40.276 39.000 0.268 0.000 1.143 337 F HN 0.240 nan 8.300 nan 0.000 0.491 338 S N 3.331 118.755 115.700 -0.460 0.000 2.569 338 S HA 0.815 5.321 4.470 0.061 0.000 0.280 338 S C -1.189 173.122 174.600 -0.483 0.000 1.111 338 S CA -0.259 57.759 58.200 -0.303 0.000 0.887 338 S CB 1.366 64.540 63.200 -0.043 0.000 1.095 338 S HN 1.009 nan 8.310 nan 0.000 0.476 339 S N 1.307 116.892 115.700 -0.192 0.000 2.607 339 S HA 0.612 5.119 4.470 0.061 0.000 0.273 339 S C -0.850 173.781 174.600 0.052 0.000 1.148 339 S CA -0.716 57.475 58.200 -0.015 0.000 0.833 339 S CB 1.400 64.692 63.200 0.154 0.000 1.130 339 S HN 0.605 nan 8.310 nan 0.000 0.470 340 S N 1.106 116.854 115.700 0.080 0.000 2.955 340 S HA 0.587 5.094 4.470 0.061 0.000 0.294 340 S C 0.738 175.365 174.600 0.045 0.000 1.198 340 S CA 0.707 58.937 58.200 0.051 0.000 1.008 340 S CB -1.463 61.769 63.200 0.054 0.000 1.279 340 S HN 2.116 nan 8.310 nan 0.000 0.508 341 G N 3.277 112.106 108.800 0.050 0.000 2.660 341 G HA2 -0.122 3.874 3.960 0.061 0.000 0.215 341 G HA3 -0.122 3.874 3.960 0.061 0.000 0.215 341 G C -0.701 174.261 174.900 0.103 0.000 1.345 341 G CA -0.316 44.814 45.100 0.050 0.000 0.877 341 G HN 0.868 nan 8.290 nan 0.000 0.549 342 R N -0.304 120.254 120.500 0.096 0.000 2.690 342 R HA 0.526 4.903 4.340 0.061 0.000 0.269 342 R C -1.233 175.131 176.300 0.108 0.000 1.037 342 R CA -0.323 55.860 56.100 0.139 0.000 0.877 342 R CB 1.390 31.757 30.300 0.112 0.000 1.255 342 R HN 0.989 nan 8.270 nan 0.000 0.467 343 E N 2.003 122.280 120.200 0.128 0.000 2.336 343 E HA 0.325 4.711 4.350 0.061 0.000 0.267 343 E C -1.117 175.525 176.600 0.069 0.000 0.906 343 E CA -0.773 55.689 56.400 0.102 0.000 0.781 343 E CB 1.396 31.168 29.700 0.120 0.000 1.261 343 E HN 0.441 nan 8.360 nan 0.000 0.436 344 D N 0.643 121.075 120.400 0.054 0.000 2.363 344 D HA -0.019 4.658 4.640 0.061 0.000 0.240 344 D C 1.502 177.812 176.300 0.017 0.000 1.236 344 D CA 0.243 54.253 54.000 0.016 0.000 0.927 344 D CB 1.062 41.880 40.800 0.030 0.000 1.150 344 D HN 0.366 nan 8.370 nan 0.000 0.458 345 V N -0.228 119.676 119.914 -0.015 0.000 2.490 345 V HA -0.215 3.941 4.120 0.061 0.000 0.250 345 V C 1.129 177.254 176.094 0.053 0.000 1.061 345 V CA 2.066 64.379 62.300 0.022 0.000 1.064 345 V CB -0.564 31.288 31.823 0.048 0.000 0.670 345 V HN 0.511 nan 8.190 nan 0.000 0.461 346 D N 0.292 120.725 120.400 0.054 0.000 2.325 346 D HA 0.104 4.781 4.640 0.061 0.000 0.225 346 D C 0.458 176.797 176.300 0.064 0.000 1.096 346 D CA 0.019 54.056 54.000 0.061 0.000 0.844 346 D CB -0.213 40.623 40.800 0.059 0.000 0.925 346 D HN 0.447 nan 8.370 nan 0.000 0.513 347 V N 0.936 120.891 119.914 0.068 0.000 2.398 347 V HA 0.373 4.530 4.120 0.061 0.000 0.286 347 V C 0.451 176.589 176.094 0.073 0.000 1.026 347 V CA -0.929 61.419 62.300 0.080 0.000 0.868 347 V CB 1.366 33.247 31.823 0.097 0.000 0.982 347 V HN -0.052 nan 8.190 nan 0.000 0.443 348 R N 1.966 122.506 120.500 0.066 0.000 2.528 348 R HA 0.593 4.970 4.340 0.061 0.000 0.271 348 R C 0.221 176.524 176.300 0.005 0.000 1.056 348 R CA -0.317 55.801 56.100 0.030 0.000 1.117 348 R CB 1.050 31.375 30.300 0.041 0.000 1.085 348 R HN 0.800 nan 8.270 nan 0.000 0.530 349 T N 1.348 115.861 114.554 -0.067 0.000 2.815 349 T HA 0.528 4.914 4.350 0.061 0.000 0.289 349 T C -0.274 174.321 174.700 -0.175 0.000 1.000 349 T CA -0.750 61.286 62.100 -0.107 0.000 0.958 349 T CB 0.356 69.146 68.868 -0.129 0.000 0.944 349 T HN 0.337 nan 8.240 nan 0.000 0.442 350 L N 3.426 124.587 121.223 -0.103 0.000 2.558 350 L HA 0.849 5.226 4.340 0.061 0.000 0.260 350 L C 1.771 178.618 176.870 -0.039 0.000 1.130 350 L CA -0.681 54.130 54.840 -0.049 0.000 1.049 350 L CB -0.055 42.022 42.059 0.030 0.000 1.758 350 L HN 0.974 nan 8.230 nan 0.000 0.555 351 G N 0.333 109.138 108.800 0.008 0.000 2.611 351 G HA2 -0.350 3.646 3.960 0.061 0.000 0.301 351 G HA3 -0.350 3.646 3.960 0.061 0.000 0.301 351 G C 0.544 175.439 174.900 -0.009 0.000 1.233 351 G CA 0.622 45.722 45.100 -0.000 0.000 0.993 351 G HN 0.676 nan 8.290 nan 0.000 0.553 352 N N 2.967 121.649 118.700 -0.031 0.000 2.459 352 N HA 0.266 5.042 4.740 0.061 0.000 0.181 352 N C 1.481 176.956 175.510 -0.060 0.000 1.046 352 N CA 2.310 55.338 53.050 -0.037 0.000 0.904 352 N CB -0.321 38.138 38.487 -0.047 0.000 0.964 352 N HN 2.005 nan 8.380 nan 0.000 0.444 353 G N 0.630 109.370 108.800 -0.100 0.000 2.728 353 G HA2 -0.266 3.731 3.960 0.061 0.000 0.294 353 G HA3 -0.266 3.731 3.960 0.061 0.000 0.294 353 G C -0.675 174.086 174.900 -0.231 0.000 1.342 353 G CA -0.509 44.484 45.100 -0.178 0.000 0.866 353 G HN 0.418 nan 8.290 nan 0.000 0.534 354 R N 0.551 120.800 120.500 -0.419 0.000 2.393 354 R HA 0.583 4.960 4.340 0.061 0.000 0.310 354 R C -2.450 173.754 176.300 -0.161 0.000 0.968 354 R CA -1.891 53.985 56.100 -0.374 0.000 0.867 354 R CB 1.337 31.274 30.300 -0.605 0.000 1.124 354 R HN 0.339 nan 8.270 nan 0.000 0.450 355 P HA 0.038 nan 4.420 nan 0.000 0.268 355 P C -1.279 176.137 177.300 0.192 0.000 1.205 355 P CA 0.273 63.395 63.100 0.037 0.000 0.771 355 P CB 0.286 32.036 31.700 0.084 0.000 0.858 356 F N 0.444 120.451 119.950 0.095 0.000 2.662 356 F HA 0.886 5.449 4.527 0.061 0.000 0.312 356 F C -1.554 174.280 175.800 0.057 0.000 1.113 356 F CA -1.548 56.473 58.000 0.035 0.000 0.951 356 F CB 1.103 40.187 39.000 0.140 0.000 1.344 356 F HN 0.381 nan 8.300 nan 0.000 0.462 357 A N 2.116 124.998 122.820 0.102 0.000 2.475 357 A HA 0.858 5.214 4.320 0.061 0.000 0.301 357 A C -1.675 176.053 177.584 0.241 0.000 1.059 357 A CA -0.825 51.304 52.037 0.154 0.000 0.710 357 A CB 1.484 20.630 19.000 0.243 0.000 1.288 357 A HN 0.806 nan 8.150 nan 0.000 0.408 358 I N 1.277 122.007 120.570 0.266 0.000 2.410 358 I HA 0.301 4.508 4.170 0.061 0.000 0.286 358 I C 0.006 176.137 176.117 0.024 0.000 1.009 358 I CA -0.166 61.257 61.300 0.204 0.000 1.111 358 I CB 1.935 40.035 38.000 0.166 0.000 1.262 358 I HN 0.809 nan 8.210 nan 0.000 0.443 359 E N 7.393 127.563 120.200 -0.051 0.000 2.194 359 E HA 0.427 4.814 4.350 0.061 0.000 0.284 359 E C -1.398 175.048 176.600 -0.257 0.000 1.035 359 E CA -0.577 55.528 56.400 -0.492 0.000 0.836 359 E CB 0.931 30.373 29.700 -0.431 0.000 1.070 359 E HN 0.505 nan 8.360 nan 0.000 0.401 360 L N 4.965 125.975 121.223 -0.355 0.000 2.287 360 L HA 0.334 4.710 4.340 0.061 0.000 0.287 360 L C -0.568 176.249 176.870 -0.089 0.000 1.022 360 L CA -0.902 53.840 54.840 -0.164 0.000 0.814 360 L CB 1.616 43.504 42.059 -0.286 0.000 1.217 360 L HN 0.335 nan 8.230 nan 0.000 0.420 361 V N 3.320 123.240 119.914 0.009 0.000 2.465 361 V HA 0.186 4.343 4.120 0.061 0.000 0.279 361 V C 0.654 176.827 176.094 0.132 0.000 1.045 361 V CA -0.444 61.882 62.300 0.044 0.000 0.938 361 V CB 1.140 32.985 31.823 0.036 0.000 0.986 361 V HN 0.928 nan 8.190 nan 0.000 0.467 362 N N 3.005 121.804 118.700 0.165 0.000 2.714 362 N HA -0.119 4.657 4.740 0.061 0.000 0.253 362 N C -2.348 173.371 175.510 0.348 0.000 1.024 362 N CA 0.319 53.530 53.050 0.268 0.000 0.726 362 N CB -0.455 38.200 38.487 0.280 0.000 0.908 362 N HN 0.521 nan 8.380 nan 0.000 0.542 363 P HA 0.087 nan 4.420 nan 0.000 0.271 363 P C 0.108 177.560 177.300 0.253 0.000 1.220 363 P CA 0.203 63.477 63.100 0.289 0.000 0.768 363 P CB 0.505 32.341 31.700 0.226 0.000 0.848 364 H N 0.860 119.999 119.070 0.116 0.000 2.553 364 H HA 0.213 4.805 4.556 0.060 0.000 0.265 364 H C 0.968 176.268 175.328 -0.046 0.000 0.964 364 H CA 0.431 56.448 56.048 -0.052 0.000 1.156 364 H CB 0.316 29.893 29.762 -0.307 0.000 1.411 364 H HN 0.312 nan 8.280 nan 0.000 0.558 365 R N 0.390 120.952 120.500 0.103 0.000 2.502 365 R HA 0.381 4.758 4.340 0.061 0.000 0.300 365 R C -0.954 175.387 176.300 0.068 0.000 0.984 365 R CA -0.200 55.878 56.100 -0.036 0.000 0.882 365 R CB 1.221 31.474 30.300 -0.077 0.000 1.180 365 R HN 0.026 nan 8.270 nan 0.000 0.444 366 V N 2.747 122.564 119.914 -0.162 0.000 3.485 366 V HA 0.190 4.347 4.120 0.061 0.000 0.280 366 V C -0.281 175.862 176.094 0.081 0.000 1.495 366 V CA -0.164 62.174 62.300 0.064 0.000 1.018 366 V CB 0.296 32.035 31.823 -0.139 0.000 0.818 366 V HN 0.692 nan 8.190 nan 0.000 0.436 367 H N 0.836 119.795 119.070 -0.186 0.000 2.705 367 H HA 0.576 5.169 4.556 0.061 0.000 0.291 367 H C -1.172 173.842 175.328 -0.524 0.000 1.085 367 H CA -0.702 55.226 56.048 -0.200 0.000 1.357 367 H CB 0.159 29.809 29.762 -0.187 0.000 1.419 367 H HN 0.181 nan 8.280 nan 0.000 0.462 368 F N 0.640 120.653 119.950 0.106 0.000 2.561 368 F HA 0.174 4.738 4.527 0.061 0.000 0.313 368 F C 0.706 176.532 175.800 0.044 0.000 1.126 368 F CA -0.976 57.041 58.000 0.028 0.000 0.918 368 F CB 1.653 40.645 39.000 -0.013 0.000 1.199 368 F HN 0.311 nan 8.300 nan 0.000 0.444 369 T N -1.279 113.376 114.554 0.168 0.000 2.813 369 T HA 0.149 4.535 4.350 0.061 0.000 0.297 369 T C 1.219 175.990 174.700 0.119 0.000 1.036 369 T CA -0.370 61.796 62.100 0.110 0.000 1.044 369 T CB 1.249 70.151 68.868 0.057 0.000 0.993 369 T HN 0.531 nan 8.240 nan 0.000 0.535 370 S N 0.463 116.210 115.700 0.078 0.000 2.374 370 S HA -0.190 4.316 4.470 0.061 0.000 0.227 370 S C 2.056 176.685 174.600 0.049 0.000 1.037 370 S CA 1.627 59.861 58.200 0.057 0.000 1.024 370 S CB -0.615 62.605 63.200 0.033 0.000 0.861 370 S HN 0.844 nan 8.310 nan 0.000 0.456 371 Q N 1.317 121.143 119.800 0.044 0.000 2.084 371 Q HA -0.089 4.287 4.340 0.061 0.000 0.202 371 Q C 1.782 177.810 176.000 0.046 0.000 0.978 371 Q CA 1.677 57.501 55.803 0.035 0.000 0.844 371 Q CB -0.326 28.427 28.738 0.026 0.000 0.898 371 Q HN 0.631 nan 8.270 nan 0.000 0.426 372 E N -0.555 119.691 120.200 0.077 0.000 2.150 372 E HA -0.136 4.251 4.350 0.061 0.000 0.193 372 E C 1.743 178.388 176.600 0.075 0.000 0.985 372 E CA 0.892 57.356 56.400 0.105 0.000 0.814 372 E CB -0.027 29.793 29.700 0.199 0.000 0.752 372 E HN 0.350 nan 8.360 nan 0.000 0.466 373 I N 1.454 122.063 120.570 0.065 0.000 2.252 373 I HA -0.227 3.980 4.170 0.061 0.000 0.245 373 I C 2.390 178.515 176.117 0.014 0.000 1.102 373 I CA 1.253 62.563 61.300 0.017 0.000 1.385 373 I CB -0.932 37.089 38.000 0.035 0.000 1.064 373 I HN 0.081 nan 8.210 nan 0.000 0.414 374 K N 1.381 121.792 120.400 0.019 0.000 2.074 374 K HA -0.235 4.122 4.320 0.061 0.000 0.209 374 K C 1.925 178.528 176.600 0.005 0.000 1.048 374 K CA 1.862 58.155 56.287 0.011 0.000 0.926 374 K CB 0.001 32.508 32.500 0.010 0.000 0.713 374 K HN 0.344 nan 8.250 nan 0.000 0.444 375 E N 0.694 120.899 120.200 0.008 0.000 2.110 375 E HA -0.171 4.215 4.350 0.061 0.000 0.193 375 E C 2.083 178.675 176.600 -0.013 0.000 0.988 375 E CA 0.833 57.233 56.400 0.001 0.000 0.804 375 E CB -0.036 29.671 29.700 0.011 0.000 0.745 375 E HN 0.316 nan 8.360 nan 0.000 0.458 376 L N 0.959 122.174 121.223 -0.014 0.000 2.046 376 L HA -0.265 4.112 4.340 0.061 0.000 0.208 376 L C 2.749 179.596 176.870 -0.038 0.000 1.077 376 L CA 1.516 56.338 54.840 -0.029 0.000 0.747 376 L CB -0.239 41.802 42.059 -0.029 0.000 0.896 376 L HN 0.243 nan 8.230 nan 0.000 0.432 377 Q N -0.616 119.178 119.800 -0.011 0.000 2.124 377 Q HA -0.317 4.060 4.340 0.061 0.000 0.202 377 Q C 2.128 178.111 176.000 -0.027 0.000 0.977 377 Q CA 1.951 57.754 55.803 0.000 0.000 0.850 377 Q CB -0.005 28.748 28.738 0.024 0.000 0.901 377 Q HN 0.387 nan 8.270 nan 0.000 0.429 378 Q N 0.366 120.148 119.800 -0.029 0.000 2.119 378 Q HA -0.145 4.231 4.340 0.061 0.000 0.201 378 Q C 2.058 178.017 176.000 -0.069 0.000 0.972 378 Q CA 1.952 57.735 55.803 -0.034 0.000 0.847 378 Q CB -0.203 28.522 28.738 -0.020 0.000 0.903 378 Q HN 0.158 nan 8.270 nan 0.000 0.433 379 K N -0.194 120.146 120.400 -0.100 0.000 2.032 379 K HA -0.086 4.271 4.320 0.061 0.000 0.209 379 K C 2.031 178.431 176.600 -0.332 0.000 1.048 379 K CA 1.427 57.613 56.287 -0.169 0.000 0.927 379 K CB -0.803 31.602 32.500 -0.158 0.000 0.712 379 K HN 0.518 nan 8.250 nan 0.000 0.441 380 I N 1.312 121.655 120.570 -0.379 0.000 2.163 380 I HA -0.265 3.942 4.170 0.061 0.000 0.243 380 I C 2.342 178.358 176.117 -0.169 0.000 1.085 380 I CA 1.748 62.793 61.300 -0.425 0.000 1.347 380 I CB -0.439 37.448 38.000 -0.188 0.000 1.044 380 I HN 0.317 nan 8.210 nan 0.000 0.408 381 N N 0.976 119.625 118.700 -0.085 0.000 2.223 381 N HA -0.156 4.621 4.740 0.061 0.000 0.185 381 N C 1.355 176.853 175.510 -0.020 0.000 1.016 381 N CA 1.279 54.318 53.050 -0.019 0.000 0.863 381 N CB -0.664 37.825 38.487 0.004 0.000 0.983 381 N HN 0.480 nan 8.380 nan 0.000 0.429 382 N N -0.386 118.288 118.700 -0.044 0.000 2.550 382 N HA 0.043 4.819 4.740 0.061 0.000 0.186 382 N C 0.673 176.177 175.510 -0.010 0.000 1.110 382 N CA 0.239 53.273 53.050 -0.026 0.000 0.912 382 N CB 0.173 38.642 38.487 -0.030 0.000 0.968 382 N HN 0.074 nan 8.380 nan 0.000 0.448 383 S N -0.897 114.797 115.700 -0.010 0.000 2.517 383 S HA 0.121 4.628 4.470 0.061 0.000 0.214 383 S C 0.279 174.915 174.600 0.060 0.000 0.991 383 S CA -0.194 58.037 58.200 0.051 0.000 0.906 383 S CB 0.646 63.934 63.200 0.146 0.000 0.789 383 S HN 0.083 nan 8.310 nan 0.000 0.513 384 S N 0.422 116.148 115.700 0.042 0.000 2.537 384 S HA 0.420 4.927 4.470 0.061 0.000 0.270 384 S C -0.564 174.065 174.600 0.048 0.000 1.142 384 S CA -0.682 57.546 58.200 0.047 0.000 0.870 384 S CB 0.923 64.155 63.200 0.054 0.000 1.112 384 S HN 0.082 nan 8.310 nan 0.000 0.466 385 N N 2.075 120.803 118.700 0.047 0.000 2.299 385 N HA 0.185 4.961 4.740 0.061 0.000 0.187 385 N C 0.977 176.566 175.510 0.131 0.000 1.099 385 N CA 0.244 53.324 53.050 0.050 0.000 0.867 385 N CB 0.213 38.706 38.487 0.009 0.000 0.974 385 N HN 0.553 nan 8.380 nan 0.000 0.477 386 K N 0.340 120.814 120.400 0.123 0.000 2.167 386 K HA 0.082 4.439 4.320 0.061 0.000 0.203 386 K C 0.613 177.319 176.600 0.177 0.000 1.052 386 K CA 0.713 57.085 56.287 0.141 0.000 0.956 386 K CB 0.295 32.834 32.500 0.065 0.000 0.735 386 K HN 0.218 nan 8.250 nan 0.000 0.451 387 I N -2.670 117.990 120.570 0.151 0.000 3.042 387 I HA 0.336 4.542 4.170 0.061 0.000 0.310 387 I C -1.285 174.954 176.117 0.203 0.000 1.117 387 I CA -0.974 60.400 61.300 0.124 0.000 1.003 387 I CB 1.999 39.988 38.000 -0.018 0.000 1.228 387 I HN -0.262 nan 8.210 nan 0.000 0.443 388 Q N 2.012 121.942 119.800 0.217 0.000 2.421 388 Q HA 0.715 5.091 4.340 0.061 0.000 0.280 388 Q C -1.484 174.620 176.000 0.173 0.000 1.085 388 Q CA -0.908 55.016 55.803 0.202 0.000 0.807 388 Q CB 3.141 32.051 28.738 0.287 0.000 1.405 388 Q HN 0.642 nan 8.270 nan 0.000 0.419 389 V N 1.721 121.728 119.914 0.154 0.000 2.628 389 V HA 0.645 4.802 4.120 0.061 0.000 0.306 389 V C -0.253 175.937 176.094 0.160 0.000 1.045 389 V CA -0.653 61.774 62.300 0.212 0.000 0.905 389 V CB 2.136 34.092 31.823 0.221 0.000 0.997 389 V HN 0.759 nan 8.190 nan 0.000 0.436 390 R N 1.399 121.993 120.500 0.157 0.000 2.888 390 R HA 0.683 5.059 4.340 0.061 0.000 0.264 390 R C -0.792 175.522 176.300 0.023 0.000 1.045 390 R CA -0.688 55.455 56.100 0.071 0.000 0.962 390 R CB 1.249 31.575 30.300 0.044 0.000 1.210 390 R HN 0.484 nan 8.270 nan 0.000 0.479 391 D N -0.138 120.244 120.400 -0.030 0.000 3.012 391 D HA -0.160 4.516 4.640 0.061 0.000 0.222 391 D C -0.467 175.755 176.300 -0.130 0.000 1.167 391 D CA 0.863 54.803 54.000 -0.101 0.000 0.854 391 D CB -0.678 40.026 40.800 -0.160 0.000 1.107 391 D HN 0.463 nan 8.370 nan 0.000 0.421 392 L N 0.850 122.038 121.223 -0.058 0.000 2.462 392 L HA 0.047 4.424 4.340 0.061 0.000 0.272 392 L C 0.810 177.642 176.870 -0.064 0.000 1.166 392 L CA 1.052 55.862 54.840 -0.050 0.000 0.880 392 L CB 0.352 42.431 42.059 0.033 0.000 1.142 392 L HN 0.178 nan 8.230 nan 0.000 0.473 393 Q N 4.048 123.794 119.800 -0.091 0.000 2.472 393 Q HA 0.411 4.788 4.340 0.061 0.000 0.281 393 Q C -1.619 174.374 176.000 -0.011 0.000 0.997 393 Q CA -1.034 54.737 55.803 -0.054 0.000 0.828 393 Q CB 1.864 30.539 28.738 -0.104 0.000 1.443 393 Q HN 0.475 nan 8.270 nan 0.000 0.390 394 L N 1.712 122.972 121.223 0.061 0.000 2.416 394 L HA 0.503 4.880 4.340 0.061 0.000 0.272 394 L C -0.454 176.488 176.870 0.121 0.000 1.161 394 L CA -0.250 54.666 54.840 0.126 0.000 0.845 394 L CB 1.048 43.224 42.059 0.196 0.000 1.119 394 L HN 0.492 nan 8.230 nan 0.000 0.464 395 V N 0.699 120.719 119.914 0.176 0.000 3.182 395 V HA 0.520 4.677 4.120 0.061 0.000 0.308 395 V C 0.049 176.268 176.094 0.208 0.000 1.240 395 V CA -0.691 61.728 62.300 0.198 0.000 1.063 395 V CB 2.510 34.499 31.823 0.277 0.000 1.076 395 V HN 0.865 nan 8.190 nan 0.000 0.446 396 T N -1.574 113.052 114.554 0.119 0.000 2.910 396 T HA 0.395 4.782 4.350 0.061 0.000 0.279 396 T C 0.902 175.369 174.700 -0.389 0.000 0.989 396 T CA -0.440 61.658 62.100 -0.003 0.000 0.968 396 T CB 1.118 70.001 68.868 0.024 0.000 1.135 396 T HN 0.572 nan 8.240 nan 0.000 0.562 397 R N 0.426 120.615 120.500 -0.519 0.000 2.261 397 R HA -0.107 4.269 4.340 0.061 0.000 0.236 397 R C 2.663 178.638 176.300 -0.541 0.000 1.141 397 R CA 1.735 57.359 56.100 -0.793 0.000 1.001 397 R CB -1.083 29.013 30.300 -0.341 0.000 0.866 397 R HN 0.924 nan 8.270 nan 0.000 0.468 398 E N 0.366 120.342 120.200 -0.373 0.000 2.147 398 E HA -0.280 4.107 4.350 0.061 0.000 0.199 398 E C 1.833 178.085 176.600 -0.579 0.000 1.005 398 E CA 1.519 57.670 56.400 -0.416 0.000 0.810 398 E CB -0.861 28.681 29.700 -0.262 0.000 0.736 398 E HN 0.645 nan 8.360 nan 0.000 0.460 399 A N 0.831 123.330 122.820 -0.535 0.000 1.929 399 A HA -0.235 4.121 4.320 0.061 0.000 0.221 399 A C 2.340 179.593 177.584 -0.552 0.000 1.211 399 A CA 2.337 53.977 52.037 -0.661 0.000 0.657 399 A CB -0.543 18.366 19.000 -0.151 0.000 0.827 399 A HN 0.554 nan 8.150 nan 0.000 0.462 400 I N -0.221 120.114 120.570 -0.391 0.000 2.226 400 I HA -0.182 4.024 4.170 0.061 0.000 0.245 400 I C 2.712 178.663 176.117 -0.276 0.000 1.100 400 I CA 1.392 62.547 61.300 -0.241 0.000 1.374 400 I CB -2.288 35.619 38.000 -0.155 0.000 1.057 400 I HN 0.342 nan 8.210 nan 0.000 0.413 401 G N 0.073 108.647 108.800 -0.376 0.000 2.433 401 G HA2 -0.263 3.734 3.960 0.061 0.000 0.216 401 G HA3 -0.263 3.734 3.960 0.061 0.000 0.216 401 G C 1.601 176.259 174.900 -0.404 0.000 1.186 401 G CA 0.989 45.859 45.100 -0.383 0.000 0.779 401 G HN 0.439 nan 8.290 nan 0.000 0.543 402 H N -0.304 118.452 119.070 -0.522 0.000 2.353 402 H HA -0.000 4.593 4.556 0.061 0.000 0.298 402 H C 2.755 177.901 175.328 -0.304 0.000 1.103 402 H CA 1.744 57.467 56.048 -0.541 0.000 1.293 402 H CB -0.076 28.981 29.762 -1.174 0.000 1.372 402 H HN 0.276 nan 8.280 nan 0.000 0.501 403 M N 0.001 119.501 119.600 -0.165 0.000 2.200 403 M HA -0.131 4.386 4.480 0.061 0.000 0.265 403 M C 2.322 178.598 176.300 -0.039 0.000 1.066 403 M CA 1.172 56.453 55.300 -0.032 0.000 1.127 403 M CB -0.004 32.596 32.600 0.001 0.000 1.379 403 M HN 0.142 nan 8.290 nan 0.000 0.420 404 K N 0.701 121.052 120.400 -0.081 0.000 2.026 404 K HA -0.220 4.137 4.320 0.061 0.000 0.208 404 K C 1.904 178.471 176.600 -0.056 0.000 1.048 404 K CA 1.573 57.821 56.287 -0.065 0.000 0.929 404 K CB -0.068 32.382 32.500 -0.085 0.000 0.713 404 K HN 0.295 nan 8.250 nan 0.000 0.439 405 E N -0.489 119.668 120.200 -0.071 0.000 2.058 405 E HA -0.177 4.210 4.350 0.061 0.000 0.194 405 E C 1.892 178.478 176.600 -0.023 0.000 0.997 405 E CA 1.445 57.815 56.400 -0.049 0.000 0.801 405 E CB -0.257 29.410 29.700 -0.055 0.000 0.746 405 E HN 0.487 nan 8.360 nan 0.000 0.450 406 G N 0.824 109.619 108.800 -0.008 0.000 2.440 406 G HA2 -0.329 3.668 3.960 0.061 0.000 0.218 406 G HA3 -0.329 3.668 3.960 0.061 0.000 0.218 406 G C 1.437 176.332 174.900 -0.008 0.000 1.154 406 G CA 0.915 46.017 45.100 0.003 0.000 0.767 406 G HN 0.378 nan 8.290 nan 0.000 0.552 407 E N 0.222 120.416 120.200 -0.010 0.000 2.085 407 E HA -0.147 4.239 4.350 0.061 0.000 0.194 407 E C 2.361 178.949 176.600 -0.020 0.000 0.994 407 E CA 1.274 57.667 56.400 -0.013 0.000 0.801 407 E CB -0.027 29.668 29.700 -0.010 0.000 0.743 407 E HN 0.620 nan 8.360 nan 0.000 0.453 408 E N -0.667 119.521 120.200 -0.021 0.000 2.250 408 E HA -0.070 4.317 4.350 0.061 0.000 0.192 408 E C 1.478 178.067 176.600 -0.019 0.000 0.986 408 E CA 0.691 57.078 56.400 -0.022 0.000 0.849 408 E CB 0.304 29.989 29.700 -0.025 0.000 0.797 408 E HN 0.263 nan 8.360 nan 0.000 0.482 409 E N -0.363 119.826 120.200 -0.017 0.000 2.441 409 E HA 0.079 4.465 4.350 0.061 0.000 0.212 409 E C 0.023 176.616 176.600 -0.012 0.000 0.840 409 E CA 0.001 56.394 56.400 -0.013 0.000 1.143 409 E CB 0.726 30.417 29.700 -0.015 0.000 1.153 409 E HN -0.136 nan 8.360 nan 0.000 0.539 410 K N 2.084 122.474 120.400 -0.016 0.000 2.110 410 K HA 0.216 4.573 4.320 0.061 0.000 0.263 410 K C 0.235 176.818 176.600 -0.028 0.000 0.975 410 K CA -0.255 56.018 56.287 -0.023 0.000 0.895 410 K CB 1.291 33.778 32.500 -0.022 0.000 1.060 410 K HN 0.070 nan 8.250 nan 0.000 0.448 411 T N -0.220 114.307 114.554 -0.045 0.000 2.813 411 T HA 0.375 4.761 4.350 0.061 0.000 0.297 411 T C 0.001 174.656 174.700 -0.075 0.000 1.036 411 T CA -0.422 61.649 62.100 -0.048 0.000 1.044 411 T CB 0.673 69.477 68.868 -0.107 0.000 0.993 411 T HN 0.263 nan 8.240 nan 0.000 0.535 412 K N -0.230 120.119 120.400 -0.084 0.000 2.444 412 K HA 0.732 5.089 4.320 0.061 0.000 0.252 412 K C -0.705 175.723 176.600 -0.287 0.000 0.993 412 K CA -0.673 55.486 56.287 -0.214 0.000 0.847 412 K CB 2.485 34.835 32.500 -0.250 0.000 1.340 412 K HN 0.717 nan 8.250 nan 0.000 0.446 413 T N 0.957 115.211 114.554 -0.500 0.000 2.916 413 T HA 0.625 5.011 4.350 0.061 0.000 0.298 413 T C -1.691 172.706 174.700 -0.504 0.000 1.031 413 T CA -0.602 61.287 62.100 -0.352 0.000 0.993 413 T CB 0.377 69.168 68.868 -0.129 0.000 1.045 413 T HN 0.335 nan 8.240 nan 0.000 0.454 414 Y N 0.342 120.617 120.300 -0.042 0.000 2.581 414 Y HA 0.639 5.226 4.550 0.061 0.000 0.345 414 Y C 0.202 176.186 175.900 0.140 0.000 1.036 414 Y CA -0.993 57.128 58.100 0.035 0.000 1.042 414 Y CB 2.286 40.742 38.460 -0.008 0.000 1.289 414 Y HN 0.457 nan 8.280 nan 0.000 0.471 415 S N 1.203 117.091 115.700 0.313 0.000 2.502 415 S HA 0.859 5.365 4.470 0.061 0.000 0.304 415 S C -1.038 173.663 174.600 0.168 0.000 1.097 415 S CA -0.765 57.586 58.200 0.251 0.000 1.045 415 S CB 1.381 64.701 63.200 0.199 0.000 1.019 415 S HN 0.718 nan 8.310 nan 0.000 0.481 416 A N 2.945 125.833 122.820 0.114 0.000 2.356 416 A HA 0.713 5.070 4.320 0.061 0.000 0.310 416 A C -0.789 176.784 177.584 -0.018 0.000 1.075 416 A CA -0.657 51.406 52.037 0.043 0.000 0.746 416 A CB 0.818 19.826 19.000 0.013 0.000 1.221 416 A HN 0.875 nan 8.150 nan 0.000 0.443 417 L N 4.128 125.345 121.223 -0.010 0.000 2.278 417 L HA 0.619 4.996 4.340 0.061 0.000 0.287 417 L C -1.223 175.614 176.870 -0.056 0.000 1.072 417 L CA -0.402 54.421 54.840 -0.027 0.000 0.819 417 L CB 0.094 42.170 42.059 0.028 0.000 1.176 417 L HN 0.627 nan 8.230 nan 0.000 0.435 418 I N 4.779 125.225 120.570 -0.206 0.000 2.433 418 I HA 0.264 4.471 4.170 0.061 0.000 0.292 418 I C -1.005 175.076 176.117 -0.060 0.000 1.001 418 I CA -0.524 60.620 61.300 -0.260 0.000 1.119 418 I CB 1.705 39.243 38.000 -0.770 0.000 1.289 418 I HN 0.696 nan 8.210 nan 0.000 0.438 419 W N 6.985 128.215 121.300 -0.115 0.000 2.496 419 W HA 0.600 5.297 4.660 0.061 0.000 0.327 419 W C -0.397 176.096 176.519 -0.044 0.000 1.086 419 W CA -0.293 56.968 57.345 -0.140 0.000 1.222 419 W CB 1.581 30.976 29.460 -0.109 0.000 1.304 419 W HN 0.521 nan 8.180 nan 0.000 0.547 420 T N 2.694 116.742 114.554 -0.844 0.000 2.863 420 T HA 0.217 4.603 4.350 0.061 0.000 0.285 420 T C 0.688 174.497 174.700 -1.484 0.000 1.009 420 T CA -0.711 60.878 62.100 -0.851 0.000 0.989 420 T CB 1.485 70.177 68.868 -0.292 0.000 1.004 420 T HN 0.637 nan 8.240 nan 0.000 0.455 421 N N 2.712 120.674 118.700 -1.229 0.000 2.142 421 N HA -0.092 4.685 4.740 0.061 0.000 0.186 421 N C 0.149 175.550 175.510 -0.182 0.000 1.023 421 N CA 0.889 53.493 53.050 -0.744 0.000 0.852 421 N CB -0.390 37.954 38.487 -0.239 0.000 0.998 421 N HN 0.658 nan 8.380 nan 0.000 0.424 422 K N 0.360 120.665 120.400 -0.159 0.000 2.144 422 K HA 0.518 4.874 4.320 0.061 0.000 0.270 422 K C -0.434 176.044 176.600 -0.204 0.000 1.005 422 K CA -0.645 55.599 56.287 -0.072 0.000 0.932 422 K CB 1.378 33.830 32.500 -0.080 0.000 1.021 422 K HN 0.238 nan 8.250 nan 0.000 0.462 423 A N 3.323 125.995 122.820 -0.246 0.000 2.492 423 A HA 0.277 4.633 4.320 0.061 0.000 0.254 423 A C 0.130 177.573 177.584 -0.234 0.000 1.091 423 A CA -0.240 51.521 52.037 -0.460 0.000 0.768 423 A CB -0.697 18.152 19.000 -0.251 0.000 1.028 423 A HN 0.750 nan 8.150 nan 0.000 0.498 424 I N -0.336 120.120 120.570 -0.190 0.000 2.693 424 I HA 0.662 4.869 4.170 0.061 0.000 0.303 424 I C -0.446 175.714 176.117 0.072 0.000 1.025 424 I CA -1.074 60.199 61.300 -0.045 0.000 1.086 424 I CB 1.814 39.809 38.000 -0.010 0.000 1.268 424 I HN 0.442 nan 8.210 nan 0.000 0.440 425 Q N 2.636 122.403 119.800 -0.056 0.000 2.297 425 Q HA 0.319 4.695 4.340 0.061 0.000 0.269 425 Q C 0.393 176.042 176.000 -0.586 0.000 1.051 425 Q CA -0.827 54.800 55.803 -0.292 0.000 0.869 425 Q CB 2.096 30.699 28.738 -0.225 0.000 1.346 425 Q HN 0.787 nan 8.270 nan 0.000 0.457 426 K N 1.505 121.183 120.400 -1.203 0.000 2.077 426 K HA -0.250 4.107 4.320 0.061 0.000 0.213 426 K C 1.525 177.922 176.600 -0.337 0.000 1.051 426 K CA 2.360 58.131 56.287 -0.861 0.000 0.929 426 K CB 0.059 32.171 32.500 -0.647 0.000 0.715 426 K HN 0.575 nan 8.250 nan 0.000 0.451 427 K N -0.439 119.804 120.400 -0.261 0.000 2.280 427 K HA -0.147 4.210 4.320 0.061 0.000 0.202 427 K C 0.945 177.501 176.600 -0.073 0.000 1.047 427 K CA 1.709 57.917 56.287 -0.131 0.000 0.942 427 K CB 0.004 32.438 32.500 -0.109 0.000 0.739 427 K HN 0.158 nan 8.250 nan 0.000 0.457 428 D N 1.692 122.034 120.400 -0.096 0.000 2.269 428 D HA -0.063 4.613 4.640 0.061 0.000 0.208 428 D C 1.878 178.215 176.300 0.061 0.000 0.963 428 D CA 1.079 55.062 54.000 -0.028 0.000 0.864 428 D CB 0.050 40.811 40.800 -0.065 0.000 0.936 428 D HN 0.610 nan 8.370 nan 0.000 0.505 429 I N -2.697 117.822 120.570 -0.085 0.000 4.018 429 I HA 0.228 4.435 4.170 0.061 0.000 0.337 429 I C 1.653 177.651 176.117 -0.198 0.000 1.327 429 I CA -0.079 61.072 61.300 -0.249 0.000 1.100 429 I CB 0.128 37.768 38.000 -0.599 0.000 1.025 429 I HN -0.281 nan 8.210 nan 0.000 0.396 430 E N 2.099 122.278 120.200 -0.035 0.000 2.130 430 E HA -0.235 4.151 4.350 0.061 0.000 0.196 430 E C 1.962 178.561 176.600 -0.002 0.000 0.998 430 E CA 2.170 58.563 56.400 -0.013 0.000 0.806 430 E CB -0.256 29.456 29.700 0.020 0.000 0.738 430 E HN 0.797 nan 8.360 nan 0.000 0.459 431 F N -0.098 119.831 119.950 -0.036 0.000 2.333 431 F HA -0.094 4.470 4.527 0.061 0.000 0.300 431 F C 1.673 177.484 175.800 0.019 0.000 1.083 431 F CA 0.700 58.694 58.000 -0.010 0.000 1.395 431 F CB -0.572 38.417 39.000 -0.018 0.000 1.056 431 F HN -0.081 nan 8.300 nan 0.000 0.529 432 L N 0.901 121.591 121.223 -0.889 0.000 2.131 432 L HA -0.189 4.188 4.340 0.061 0.000 0.210 432 L C 2.159 178.930 176.870 -0.166 0.000 1.092 432 L CA 1.100 55.579 54.840 -0.601 0.000 0.759 432 L CB -0.852 40.880 42.059 -0.546 0.000 0.903 432 L HN 0.261 nan 8.230 nan 0.000 0.435 433 N N -0.068 118.572 118.700 -0.099 0.000 2.453 433 N HA -0.148 4.628 4.740 0.061 0.000 0.183 433 N C 0.836 176.362 175.510 0.027 0.000 1.041 433 N CA 1.087 54.138 53.050 0.001 0.000 0.900 433 N CB -0.055 38.435 38.487 0.006 0.000 0.961 433 N HN 0.439 nan 8.380 nan 0.000 0.443 434 D N 0.425 120.842 120.400 0.028 0.000 2.367 434 D HA 0.151 4.827 4.640 0.061 0.000 0.207 434 D C 0.625 176.967 176.300 0.070 0.000 1.034 434 D CA -0.004 54.028 54.000 0.054 0.000 0.861 434 D CB 0.927 41.770 40.800 0.070 0.000 0.943 434 D HN 0.223 nan 8.370 nan 0.000 0.515 435 I N 2.359 122.971 120.570 0.071 0.000 2.436 435 I HA 0.032 4.239 4.170 0.061 0.000 0.289 435 I C 0.332 176.504 176.117 0.091 0.000 1.083 435 I CA 0.059 61.410 61.300 0.085 0.000 1.372 435 I CB 0.413 38.468 38.000 0.090 0.000 1.408 435 I HN -0.453 nan 8.210 nan 0.000 0.516 436 K N 4.997 125.448 120.400 0.084 0.000 2.259 436 K HA 0.265 4.622 4.320 0.061 0.000 0.252 436 K C -0.340 176.295 176.600 0.059 0.000 0.936 436 K CA -0.793 55.553 56.287 0.098 0.000 0.810 436 K CB 1.350 33.910 32.500 0.101 0.000 1.143 436 K HN 0.473 nan 8.250 nan 0.000 0.427 437 D N 1.167 121.593 120.400 0.043 0.000 2.686 437 D HA -0.219 4.458 4.640 0.061 0.000 0.235 437 D C -0.098 176.162 176.300 -0.066 0.000 1.160 437 D CA 0.644 54.624 54.000 -0.033 0.000 0.645 437 D CB -0.801 40.016 40.800 0.027 0.000 1.039 437 D HN 0.464 nan 8.370 nan 0.000 0.423 438 L N 0.073 121.248 121.223 -0.080 0.000 2.462 438 L HA 0.046 4.423 4.340 0.061 0.000 0.272 438 L C 0.558 177.364 176.870 -0.107 0.000 1.166 438 L CA 0.132 54.938 54.840 -0.057 0.000 0.880 438 L CB 0.313 42.359 42.059 -0.022 0.000 1.142 438 L HN -0.102 nan 8.230 nan 0.000 0.473 439 K N 7.530 127.895 120.400 -0.058 0.000 2.285 439 K HA 0.351 4.708 4.320 0.061 0.000 0.286 439 K C -0.394 176.184 176.600 -0.035 0.000 1.072 439 K CA -0.324 55.926 56.287 -0.062 0.000 0.913 439 K CB 1.004 33.484 32.500 -0.032 0.000 1.067 439 K HN 0.597 nan 8.250 nan 0.000 0.479 440 I N -0.960 119.574 120.570 -0.061 0.000 2.562 440 I HA 0.419 4.626 4.170 0.061 0.000 0.301 440 I C -0.701 175.415 176.117 -0.002 0.000 1.003 440 I CA -0.880 60.414 61.300 -0.010 0.000 1.127 440 I CB 1.782 39.774 38.000 -0.013 0.000 1.304 440 I HN 0.244 nan 8.210 nan 0.000 0.446 441 D N 4.352 124.768 120.400 0.027 0.000 2.392 441 D HA 0.254 4.931 4.640 0.061 0.000 0.228 441 D C -0.938 175.384 176.300 0.036 0.000 1.074 441 D CA 0.185 54.200 54.000 0.025 0.000 0.838 441 D CB 1.716 42.532 40.800 0.026 0.000 1.067 441 D HN 0.614 nan 8.370 nan 0.000 0.511 442 Q N 2.791 122.610 119.800 0.033 0.000 2.413 442 Q HA 0.218 4.594 4.340 0.061 0.000 0.258 442 Q C -0.606 175.411 176.000 0.030 0.000 1.037 442 Q CA -0.782 55.046 55.803 0.042 0.000 0.764 442 Q CB 0.832 29.608 28.738 0.064 0.000 1.217 442 Q HN 0.156 nan 8.270 nan 0.000 0.490 443 K N 1.804 122.215 120.400 0.018 0.000 2.355 443 K HA 0.128 4.485 4.320 0.061 0.000 0.270 443 K C -0.214 176.367 176.600 -0.032 0.000 1.003 443 K CA -0.083 56.206 56.287 0.004 0.000 0.957 443 K CB 0.493 33.000 32.500 0.012 0.000 0.939 443 K HN 0.539 nan 8.250 nan 0.000 0.482 444 T N 4.947 119.476 114.554 -0.041 0.000 2.800 444 T HA 0.008 4.394 4.350 0.061 0.000 0.283 444 T C -2.250 172.356 174.700 -0.158 0.000 0.999 444 T CA -0.791 61.245 62.100 -0.106 0.000 1.176 444 T CB -0.175 68.655 68.868 -0.064 0.000 0.973 444 T HN 0.306 nan 8.240 nan 0.000 0.519 445 P HA 0.066 nan 4.420 nan 0.000 0.265 445 P C 1.107 178.340 177.300 -0.111 0.000 1.187 445 P CA -0.108 62.839 63.100 -0.255 0.000 0.766 445 P CB 0.430 31.831 31.700 -0.500 0.000 0.820 446 L N 2.771 123.991 121.223 -0.004 0.000 2.043 446 L HA -0.248 4.129 4.340 0.061 0.000 0.212 446 L C 2.408 179.316 176.870 0.063 0.000 1.075 446 L CA 1.841 56.712 54.840 0.051 0.000 0.752 446 L CB -0.739 41.391 42.059 0.118 0.000 0.891 446 L HN 0.492 nan 8.230 nan 0.000 0.432 447 R N 0.713 121.243 120.500 0.050 0.000 2.328 447 R HA -0.050 4.326 4.340 0.061 0.000 0.207 447 R C 1.209 177.576 176.300 0.110 0.000 1.056 447 R CA 1.305 57.461 56.100 0.093 0.000 1.016 447 R CB -0.354 29.990 30.300 0.073 0.000 0.872 447 R HN 0.435 nan 8.270 nan 0.000 0.471 448 V N -3.154 116.745 119.914 -0.024 0.000 3.252 448 V HA 0.265 4.421 4.120 0.061 0.000 0.320 448 V C 1.328 177.309 176.094 -0.189 0.000 1.459 448 V CA -0.379 61.822 62.300 -0.165 0.000 1.095 448 V CB 0.128 31.858 31.823 -0.156 0.000 0.997 448 V HN 0.127 nan 8.190 nan 0.000 0.469 449 L N 1.408 122.606 121.223 -0.042 0.000 2.275 449 L HA -0.060 4.317 4.340 0.061 0.000 0.215 449 L C 2.860 179.736 176.870 0.010 0.000 1.119 449 L CA 1.882 56.716 54.840 -0.011 0.000 0.790 449 L CB -0.509 41.572 42.059 0.036 0.000 0.919 449 L HN 0.704 nan 8.230 nan 0.000 0.443 450 H N -0.897 118.175 119.070 0.004 0.000 2.535 450 H HA 0.036 4.628 4.556 0.061 0.000 0.273 450 H C 1.755 177.091 175.328 0.015 0.000 0.983 450 H CA 0.258 56.313 56.048 0.012 0.000 1.238 450 H CB 0.029 29.802 29.762 0.018 0.000 1.412 450 H HN 0.365 nan 8.280 nan 0.000 0.562 451 R N 0.824 121.065 120.500 -0.431 0.000 2.103 451 R HA 0.171 4.548 4.340 0.061 0.000 0.212 451 R C 0.504 176.737 176.300 -0.112 0.000 1.107 451 R CA 0.105 56.054 56.100 -0.252 0.000 1.025 451 R CB 0.375 30.485 30.300 -0.316 0.000 0.929 451 R HN 0.213 nan 8.270 nan 0.000 0.456 452 R N 2.219 122.655 120.500 -0.107 0.000 2.732 452 R HA 0.456 4.832 4.340 0.061 0.000 0.278 452 R C -2.623 173.659 176.300 -0.030 0.000 0.976 452 R CA -2.395 53.677 56.100 -0.046 0.000 0.963 452 R CB 0.182 30.469 30.300 -0.022 0.000 1.150 452 R HN -0.069 nan 8.270 nan 0.000 0.478 453 P HA 0.080 nan 4.420 nan 0.000 0.272 453 P C -0.099 177.198 177.300 -0.005 0.000 1.230 453 P CA -0.512 62.586 63.100 -0.005 0.000 0.788 453 P CB 0.831 32.532 31.700 0.001 0.000 0.949 454 L N 1.362 122.584 121.223 -0.002 0.000 2.418 454 L HA 0.434 4.811 4.340 0.061 0.000 0.274 454 L C -0.365 176.507 176.870 0.003 0.000 1.135 454 L CA 0.098 54.937 54.840 -0.001 0.000 0.870 454 L CB -0.307 41.753 42.059 0.003 0.000 1.154 454 L HN 0.550 nan 8.230 nan 0.000 0.462 455 A N 4.558 127.381 122.820 0.004 0.000 2.594 455 A HA 0.642 4.999 4.320 0.061 0.000 0.295 455 A C -1.401 176.190 177.584 0.012 0.000 1.071 455 A CA -0.543 51.499 52.037 0.010 0.000 0.685 455 A CB 1.832 20.840 19.000 0.013 0.000 1.285 455 A HN 0.397 nan 8.150 nan 0.000 0.405 456 V N 2.222 122.145 119.914 0.014 0.000 2.350 456 V HA 0.445 4.601 4.120 0.061 0.000 0.276 456 V C 0.291 176.396 176.094 0.018 0.000 1.028 456 V CA -0.459 61.851 62.300 0.017 0.000 0.860 456 V CB 0.842 32.674 31.823 0.015 0.000 0.990 456 V HN 0.798 nan 8.190 nan 0.000 0.453 457 R N 2.882 123.397 120.500 0.025 0.000 2.428 457 R HA 0.724 5.101 4.340 0.061 0.000 0.294 457 R C -0.060 176.246 176.300 0.010 0.000 1.000 457 R CA -0.457 55.656 56.100 0.021 0.000 0.960 457 R CB 2.026 32.348 30.300 0.037 0.000 1.076 457 R HN 0.794 nan 8.270 nan 0.000 0.475 458 A N 3.542 126.361 122.820 -0.002 0.000 2.309 458 A HA 0.465 4.822 4.320 0.061 0.000 0.290 458 A C -0.218 177.344 177.584 -0.037 0.000 1.206 458 A CA -0.331 51.696 52.037 -0.017 0.000 0.850 458 A CB 0.457 19.447 19.000 -0.016 0.000 1.118 458 A HN 0.597 nan 8.150 nan 0.000 0.523 459 R N 0.717 121.179 120.500 -0.063 0.000 2.854 459 R HA 0.717 5.094 4.340 0.061 0.000 0.271 459 R C -1.367 174.827 176.300 -0.176 0.000 0.994 459 R CA -0.444 55.590 56.100 -0.110 0.000 0.945 459 R CB 2.250 32.484 30.300 -0.111 0.000 1.194 459 R HN 0.467 nan 8.270 nan 0.000 0.476 460 V N 3.563 123.321 119.914 -0.259 0.000 2.487 460 V HA 0.450 4.606 4.120 0.061 0.000 0.298 460 V C -0.563 175.209 176.094 -0.537 0.000 1.028 460 V CA -0.812 61.256 62.300 -0.387 0.000 0.860 460 V CB 1.856 33.408 31.823 -0.452 0.000 0.991 460 V HN 0.535 nan 8.190 nan 0.000 0.427 461 I N 4.490 124.769 120.570 -0.484 0.000 2.291 461 I HA 0.320 4.526 4.170 0.061 0.000 0.290 461 I C 1.170 177.067 176.117 -0.367 0.000 1.050 461 I CA 0.065 61.083 61.300 -0.470 0.000 1.245 461 I CB 0.343 38.032 38.000 -0.519 0.000 1.405 461 I HN 0.709 nan 8.210 nan 0.000 0.478 462 H N 6.387 125.324 119.070 -0.222 0.000 2.326 462 H HA -0.003 4.590 4.556 0.061 0.000 0.301 462 H C 0.045 175.375 175.328 0.003 0.000 1.081 462 H CA 1.976 57.949 56.048 -0.125 0.000 1.334 462 H CB 0.130 29.802 29.762 -0.151 0.000 1.385 462 H HN 0.614 nan 8.280 nan 0.000 0.504 463 F N -2.499 117.487 119.950 0.060 0.000 2.686 463 F HA 0.606 5.170 4.527 0.061 0.000 0.311 463 F C -1.621 174.179 175.800 -0.000 0.000 1.128 463 F CA -1.533 56.482 58.000 0.026 0.000 0.946 463 F CB 1.622 40.644 39.000 0.036 0.000 1.336 463 F HN -0.299 nan 8.300 nan 0.000 0.457 464 M N 1.399 121.219 119.600 0.367 0.000 2.446 464 M HA 0.453 4.969 4.480 0.061 0.000 0.294 464 M C -1.749 174.728 176.300 0.296 0.000 1.158 464 M CA -0.441 55.018 55.300 0.265 0.000 0.899 464 M CB 2.949 35.643 32.600 0.157 0.000 1.687 464 M HN 0.732 nan 8.290 nan 0.000 0.455 465 E N 1.428 121.811 120.200 0.306 0.000 2.256 465 E HA 0.471 4.857 4.350 0.061 0.000 0.268 465 E C -0.947 175.797 176.600 0.240 0.000 0.877 465 E CA -0.760 55.789 56.400 0.247 0.000 0.757 465 E CB 2.430 32.304 29.700 0.290 0.000 1.183 465 E HN 0.660 nan 8.360 nan 0.000 0.418 466 T N 0.339 115.002 114.554 0.181 0.000 2.895 466 T HA 0.491 4.878 4.350 0.061 0.000 0.283 466 T C -0.208 174.616 174.700 0.207 0.000 1.014 466 T CA -0.926 61.310 62.100 0.227 0.000 1.037 466 T CB 1.307 70.263 68.868 0.146 0.000 1.006 466 T HN 0.359 nan 8.240 nan 0.000 0.468 467 Q N 1.449 121.404 119.800 0.258 0.000 2.303 467 Q HA 0.295 4.672 4.340 0.061 0.000 0.267 467 Q C -1.593 174.579 176.000 0.288 0.000 1.011 467 Q CA -0.809 55.126 55.803 0.220 0.000 0.740 467 Q CB 2.020 30.853 28.738 0.157 0.000 1.250 467 Q HN 0.776 nan 8.270 nan 0.000 0.458 468 Y N 2.662 123.046 120.300 0.140 0.000 2.511 468 Y HA 0.035 4.622 4.550 0.061 0.000 0.332 468 Y C 0.167 176.155 175.900 0.145 0.000 1.177 468 Y CA 0.649 58.837 58.100 0.145 0.000 1.422 468 Y CB 0.596 39.093 38.460 0.062 0.000 1.271 468 Y HN 0.502 nan 8.280 nan 0.000 0.550 469 V N 3.661 123.326 119.914 -0.414 0.000 2.870 469 V HA 0.159 4.315 4.120 0.061 0.000 0.232 469 V C -0.393 175.424 176.094 -0.461 0.000 1.161 469 V CA 1.186 63.324 62.300 -0.270 0.000 1.204 469 V CB 0.148 31.930 31.823 -0.069 0.000 1.003 469 V HN 0.890 nan 8.190 nan 0.000 0.499 470 D N -2.147 117.904 120.400 -0.582 0.000 2.825 470 D HA 0.164 4.841 4.640 0.061 0.000 0.327 470 D C 0.331 176.477 176.300 -0.257 0.000 1.277 470 D CA -0.576 53.225 54.000 -0.331 0.000 0.950 470 D CB 0.432 41.237 40.800 0.007 0.000 1.438 470 D HN -0.004 nan 8.370 nan 0.000 0.526 471 E N -1.506 118.696 120.200 0.003 0.000 2.401 471 E HA -0.130 4.256 4.350 0.061 0.000 0.199 471 E C 0.114 176.481 176.600 -0.387 0.000 1.023 471 E CA 1.006 57.360 56.400 -0.077 0.000 0.859 471 E CB -0.168 29.477 29.700 -0.092 0.000 0.780 471 E HN 0.402 nan 8.360 nan 0.000 0.523 472 H N -2.132 116.902 119.070 -0.059 0.000 3.007 472 H HA 0.226 4.819 4.556 0.061 0.000 0.251 472 H C -0.978 173.986 175.328 -0.607 0.000 1.188 472 H CA -0.183 55.664 56.048 -0.335 0.000 1.017 472 H CB 0.566 30.124 29.762 -0.340 0.000 1.805 472 H HN 0.006 nan 8.280 nan 0.000 0.659 473 H N -0.105 119.001 119.070 0.060 0.000 2.974 473 H HA 0.443 5.035 4.556 0.061 0.000 0.366 473 H C -1.178 174.208 175.328 0.096 0.000 1.155 473 H CA -1.124 54.969 56.048 0.075 0.000 1.186 473 H CB 1.784 31.576 29.762 0.051 0.000 1.799 473 H HN 0.156 nan 8.280 nan 0.000 0.541 474 F N -1.253 118.735 119.950 0.064 0.000 2.668 474 F HA 0.678 5.241 4.527 0.061 0.000 0.309 474 F C -1.359 174.491 175.800 0.084 0.000 1.117 474 F CA -1.217 56.807 58.000 0.039 0.000 0.951 474 F CB 1.608 40.651 39.000 0.071 0.000 1.323 474 F HN 0.215 nan 8.300 nan 0.000 0.451 475 R N 2.248 122.834 120.500 0.144 0.000 2.407 475 R HA 0.640 5.016 4.340 0.061 0.000 0.303 475 R C -1.473 174.926 176.300 0.166 0.000 0.981 475 R CA -1.011 55.122 56.100 0.055 0.000 0.905 475 R CB 2.124 32.482 30.300 0.096 0.000 1.099 475 R HN 0.865 nan 8.270 nan 0.000 0.459 476 L N 3.456 124.730 121.223 0.085 0.000 2.349 476 L HA 0.355 4.732 4.340 0.061 0.000 0.278 476 L C -0.796 176.214 176.870 0.233 0.000 0.996 476 L CA -0.612 54.344 54.840 0.193 0.000 0.825 476 L CB 1.345 43.484 42.059 0.133 0.000 1.243 476 L HN 0.670 nan 8.230 nan 0.000 0.412 477 H N 6.845 126.019 119.070 0.174 0.000 2.488 477 H HA 0.576 5.169 4.556 0.061 0.000 0.322 477 H C -1.431 174.018 175.328 0.200 0.000 1.078 477 H CA -0.659 55.499 56.048 0.183 0.000 1.260 477 H CB 1.551 31.430 29.762 0.196 0.000 1.425 477 H HN 0.691 nan 8.280 nan 0.000 0.471 478 L N 2.349 123.393 121.223 -0.298 0.000 2.434 478 L HA 0.587 4.964 4.340 0.061 0.000 0.260 478 L C -1.600 174.964 176.870 -0.510 0.000 0.983 478 L CA -1.143 53.492 54.840 -0.341 0.000 0.820 478 L CB 2.600 44.601 42.059 -0.096 0.000 1.361 478 L HN 0.437 nan 8.230 nan 0.000 0.410 479 K N 1.664 121.583 120.400 -0.802 0.000 2.244 479 K HA 0.741 5.098 4.320 0.061 0.000 0.260 479 K C -0.885 175.553 176.600 -0.270 0.000 0.951 479 K CA -0.079 55.837 56.287 -0.620 0.000 0.826 479 K CB 1.852 33.714 32.500 -1.064 0.000 1.108 479 K HN 0.945 nan 8.250 nan 0.000 0.433 480 T N -0.063 114.460 114.554 -0.052 0.000 2.906 480 T HA 0.217 4.603 4.350 0.061 0.000 0.295 480 T C -0.471 174.276 174.700 0.080 0.000 1.075 480 T CA -0.891 61.189 62.100 -0.033 0.000 1.005 480 T CB 1.497 70.309 68.868 -0.093 0.000 1.136 480 T HN 0.677 nan 8.240 nan 0.000 0.498 481 Q N 0.918 120.724 119.800 0.009 0.000 2.428 481 Q HA 0.449 4.825 4.340 0.061 0.000 0.276 481 Q C 0.447 176.449 176.000 0.004 0.000 1.059 481 Q CA -0.397 55.443 55.803 0.061 0.000 0.923 481 Q CB 0.379 29.096 28.738 -0.035 0.000 1.283 481 Q HN 1.023 nan 8.270 nan 0.000 0.447 482 A N 2.122 124.946 122.820 0.006 0.000 2.561 482 A HA 0.337 4.694 4.320 0.061 0.000 0.234 482 A C 1.168 178.720 177.584 -0.053 0.000 1.055 482 A CA 0.734 52.760 52.037 -0.019 0.000 0.756 482 A CB -0.672 18.317 19.000 -0.019 0.000 0.986 482 A HN 1.364 nan 8.150 nan 0.000 0.505 483 G N 1.470 110.216 108.800 -0.091 0.000 2.179 483 G HA2 -0.226 3.771 3.960 0.061 0.000 0.260 483 G HA3 -0.226 3.771 3.960 0.061 0.000 0.260 483 G C 0.446 175.194 174.900 -0.253 0.000 0.977 483 G CA 0.648 45.647 45.100 -0.169 0.000 0.641 483 G HN 1.335 nan 8.290 nan 0.000 0.533 484 T N 1.052 115.491 114.554 -0.191 0.000 2.834 484 T HA 0.403 4.790 4.350 0.061 0.000 0.298 484 T C -0.002 174.528 174.700 -0.283 0.000 0.966 484 T CA 0.169 62.159 62.100 -0.184 0.000 1.141 484 T CB 0.629 69.389 68.868 -0.180 0.000 0.905 484 T HN 0.212 nan 8.240 nan 0.000 0.535 485 Y N 3.597 123.832 120.300 -0.108 0.000 2.452 485 Y HA 0.157 4.744 4.550 0.061 0.000 0.348 485 Y C 1.368 177.182 175.900 -0.143 0.000 0.985 485 Y CA -0.923 57.110 58.100 -0.113 0.000 1.214 485 Y CB 0.195 38.616 38.460 -0.065 0.000 1.136 485 Y HN 0.526 nan 8.280 nan 0.000 0.523 486 I N 2.024 122.516 120.570 -0.131 0.000 2.333 486 I HA -0.173 4.033 4.170 0.061 0.000 0.246 486 I C 1.895 177.983 176.117 -0.050 0.000 1.106 486 I CA 1.126 62.324 61.300 -0.170 0.000 1.411 486 I CB -0.663 37.045 38.000 -0.487 0.000 1.082 486 I HN 0.612 nan 8.210 nan 0.000 0.420 487 K N 0.900 121.273 120.400 -0.045 0.000 2.063 487 K HA -0.217 4.140 4.320 0.061 0.000 0.208 487 K C 1.996 178.378 176.600 -0.363 0.000 1.048 487 K CA 1.576 57.831 56.287 -0.053 0.000 0.928 487 K CB -0.093 32.457 32.500 0.083 0.000 0.713 487 K HN 0.206 nan 8.250 nan 0.000 0.442 488 E N 0.093 120.111 120.200 -0.304 0.000 2.152 488 E HA -0.129 4.258 4.350 0.061 0.000 0.192 488 E C 1.523 177.942 176.600 -0.301 0.000 0.983 488 E CA 0.648 56.756 56.400 -0.486 0.000 0.818 488 E CB -0.173 29.432 29.700 -0.158 0.000 0.758 488 E HN 0.235 nan 8.360 nan 0.000 0.467 489 F N 0.249 120.055 119.950 -0.240 0.000 2.186 489 F HA -0.149 4.415 4.527 0.061 0.000 0.299 489 F C 1.730 177.443 175.800 -0.145 0.000 1.090 489 F CA 0.831 58.737 58.000 -0.156 0.000 1.307 489 F CB -0.233 38.695 39.000 -0.119 0.000 1.019 489 F HN -0.144 nan 8.300 nan 0.000 0.489 490 V N 1.429 121.135 119.914 -0.346 0.000 2.229 490 V HA -0.303 3.854 4.120 0.061 0.000 0.243 490 V C 2.638 178.587 176.094 -0.243 0.000 1.042 490 V CA 2.318 64.415 62.300 -0.339 0.000 1.000 490 V CB -1.223 30.513 31.823 -0.146 0.000 0.637 490 V HN 0.572 nan 8.190 nan 0.000 0.446 491 H N -0.492 118.504 119.070 -0.124 0.000 2.551 491 H HA 0.218 4.810 4.556 0.061 0.000 0.266 491 H C 1.732 176.969 175.328 -0.152 0.000 0.964 491 H CA 0.954 56.930 56.048 -0.120 0.000 1.180 491 H CB 0.338 30.029 29.762 -0.117 0.000 1.408 491 H HN 0.516 nan 8.280 nan 0.000 0.563 492 G N 1.568 110.237 108.800 -0.218 0.000 2.225 492 G HA2 -0.381 3.616 3.960 0.061 0.000 0.254 492 G HA3 -0.381 3.616 3.960 0.061 0.000 0.254 492 G C 0.176 175.060 174.900 -0.027 0.000 0.988 492 G CA 0.511 45.553 45.100 -0.097 0.000 0.625 492 G HN 0.602 nan 8.290 nan 0.000 0.527 493 D N -1.493 118.955 120.400 0.080 0.000 2.723 493 D HA -0.174 4.503 4.640 0.061 0.000 0.236 493 D C 0.760 177.132 176.300 0.119 0.000 1.138 493 D CA 1.599 55.663 54.000 0.105 0.000 0.676 493 D CB -1.762 39.093 40.800 0.091 0.000 1.069 493 D HN 1.481 nan 8.370 nan 0.000 0.430 494 F N -2.216 117.807 119.950 0.121 0.000 3.074 494 F HA -0.199 4.365 4.527 0.061 0.000 0.287 494 F C 1.705 177.535 175.800 0.051 0.000 0.932 494 F CA 1.260 59.300 58.000 0.067 0.000 0.995 494 F CB -1.588 37.438 39.000 0.044 0.000 0.966 494 F HN 0.478 nan 8.300 nan 0.000 0.721 495 G N -0.474 108.406 108.800 0.132 0.000 2.143 495 G HA2 -0.374 3.622 3.960 0.061 0.000 0.249 495 G HA3 -0.374 3.622 3.960 0.061 0.000 0.249 495 G C 0.966 175.917 174.900 0.086 0.000 0.981 495 G CA 0.366 45.523 45.100 0.095 0.000 0.665 495 G HN 0.560 nan 8.290 nan 0.000 0.528 496 R N -0.405 120.152 120.500 0.095 0.000 2.276 496 R HA 0.141 4.517 4.340 0.061 0.000 0.196 496 R C 0.303 176.632 176.300 0.048 0.000 0.961 496 R CA 0.995 57.139 56.100 0.073 0.000 1.024 496 R CB 0.309 30.660 30.300 0.086 0.000 0.940 496 R HN 0.324 nan 8.270 nan 0.000 0.480 497 T N 1.624 116.203 114.554 0.042 0.000 2.788 497 T HA 0.331 4.718 4.350 0.061 0.000 0.296 497 T C -0.435 174.304 174.700 0.065 0.000 1.009 497 T CA -0.458 61.673 62.100 0.051 0.000 0.949 497 T CB 1.598 70.495 68.868 0.048 0.000 0.946 497 T HN -0.040 nan 8.240 nan 0.000 0.453 498 K N 3.392 123.836 120.400 0.074 0.000 2.267 498 K HA 0.537 4.894 4.320 0.061 0.000 0.246 498 K C -2.498 174.163 176.600 0.102 0.000 0.954 498 K CA -2.468 53.865 56.287 0.076 0.000 0.824 498 K CB 1.410 33.943 32.500 0.056 0.000 1.167 498 K HN 0.272 nan 8.250 nan 0.000 0.431 499 P HA -0.238 nan 4.420 nan 0.000 0.274 499 P C -1.266 176.145 177.300 0.185 0.000 1.159 499 P CA 0.802 63.989 63.100 0.146 0.000 0.759 499 P CB 0.090 31.900 31.700 0.183 0.000 0.744 500 N N 0.080 118.792 118.700 0.020 0.000 2.732 500 N HA 0.323 5.099 4.740 0.061 0.000 0.259 500 N C 0.658 175.949 175.510 -0.366 0.000 1.402 500 N CA -0.911 51.968 53.050 -0.284 0.000 0.829 500 N CB 0.280 38.648 38.487 -0.197 0.000 1.495 500 N HN -0.021 nan 8.380 nan 0.000 0.511 501 I N 0.084 120.279 120.570 -0.624 0.000 2.208 501 I HA -0.119 4.088 4.170 0.061 0.000 0.245 501 I C 2.259 178.331 176.117 -0.075 0.000 1.097 501 I CA 1.906 63.021 61.300 -0.308 0.000 1.363 501 I CB -1.780 36.055 38.000 -0.275 0.000 1.051 501 I HN 0.924 nan 8.210 nan 0.000 0.413 502 G N 0.910 109.661 108.800 -0.081 0.000 2.446 502 G HA2 -0.293 3.704 3.960 0.061 0.000 0.217 502 G HA3 -0.293 3.704 3.960 0.061 0.000 0.217 502 G C 1.831 176.731 174.900 0.000 0.000 1.168 502 G CA 1.504 46.594 45.100 -0.017 0.000 0.771 502 G HN 0.526 nan 8.290 nan 0.000 0.551 503 S N 0.603 116.298 115.700 -0.008 0.000 2.368 503 S HA 0.001 4.508 4.470 0.061 0.000 0.225 503 S C 2.409 177.027 174.600 0.030 0.000 1.030 503 S CA 1.216 59.423 58.200 0.011 0.000 0.999 503 S CB -0.476 62.733 63.200 0.016 0.000 0.844 503 S HN 0.267 nan 8.310 nan 0.000 0.459 504 L N 0.085 121.350 121.223 0.069 0.000 2.083 504 L HA 0.040 4.416 4.340 0.061 0.000 0.209 504 L C 2.729 179.694 176.870 0.158 0.000 1.083 504 L CA 1.466 56.403 54.840 0.162 0.000 0.752 504 L CB -0.420 41.816 42.059 0.294 0.000 0.899 504 L HN 0.383 nan 8.230 nan 0.000 0.433 505 M N -1.304 118.392 119.600 0.159 0.000 2.465 505 M HA 0.080 4.597 4.480 0.061 0.000 0.249 505 M C 0.023 176.321 176.300 -0.003 0.000 1.130 505 M CA 0.079 55.451 55.300 0.120 0.000 1.067 505 M CB 0.359 33.049 32.600 0.151 0.000 1.394 505 M HN 0.182 nan 8.290 nan 0.000 0.483 506 N N 0.964 119.658 118.700 -0.011 0.000 2.740 506 N HA -0.121 4.655 4.740 0.061 0.000 0.248 506 N C -1.171 174.325 175.510 -0.023 0.000 1.062 506 N CA 0.378 53.413 53.050 -0.025 0.000 0.704 506 N CB -1.485 36.973 38.487 -0.048 0.000 0.968 506 N HN 0.178 nan 8.380 nan 0.000 0.547 507 V N -0.685 119.220 119.914 -0.015 0.000 3.158 507 V HA 0.587 4.743 4.120 0.061 0.000 0.311 507 V C 0.697 176.778 176.094 -0.020 0.000 1.181 507 V CA -0.585 61.694 62.300 -0.035 0.000 1.054 507 V CB 2.105 33.892 31.823 -0.060 0.000 1.085 507 V HN 0.330 nan 8.190 nan 0.000 0.446 508 T N 0.451 114.986 114.554 -0.032 0.000 2.743 508 T HA 0.763 5.150 4.350 0.061 0.000 0.293 508 T C -0.330 174.371 174.700 0.002 0.000 0.945 508 T CA 0.001 62.112 62.100 0.018 0.000 1.030 508 T CB 0.859 69.778 68.868 0.085 0.000 0.912 508 T HN 1.199 nan 8.240 nan 0.000 0.483 509 A N 3.533 126.390 122.820 0.062 0.000 2.325 509 A HA 0.744 5.101 4.320 0.061 0.000 0.333 509 A C -0.443 177.275 177.584 0.224 0.000 1.155 509 A CA -0.727 51.374 52.037 0.107 0.000 0.814 509 A CB 1.339 20.373 19.000 0.057 0.000 1.206 509 A HN 0.886 nan 8.150 nan 0.000 0.482 510 D N 0.319 120.920 120.400 0.335 0.000 2.581 510 D HA 0.463 5.139 4.640 0.061 0.000 0.232 510 D C -1.283 175.121 176.300 0.173 0.000 1.143 510 D CA -0.284 53.864 54.000 0.246 0.000 0.881 510 D CB 1.731 42.642 40.800 0.186 0.000 1.500 510 D HN 0.457 nan 8.370 nan 0.000 0.458 511 I N 3.426 124.070 120.570 0.123 0.000 2.321 511 I HA 0.217 4.424 4.170 0.061 0.000 0.291 511 I C 0.421 176.574 176.117 0.060 0.000 0.998 511 I CA -0.446 60.898 61.300 0.072 0.000 1.227 511 I CB 0.670 38.707 38.000 0.062 0.000 1.368 511 I HN 0.438 nan 8.210 nan 0.000 0.466 512 L N 6.058 127.317 121.223 0.060 0.000 2.221 512 L HA 0.319 4.696 4.340 0.061 0.000 0.202 512 L C 0.270 177.163 176.870 0.039 0.000 1.074 512 L CA 0.488 55.356 54.840 0.046 0.000 0.795 512 L CB -0.127 41.980 42.059 0.080 0.000 0.960 512 L HN 0.590 nan 8.230 nan 0.000 0.458 513 E N 0.253 120.480 120.200 0.044 0.000 2.331 513 E HA 0.529 4.916 4.350 0.061 0.000 0.275 513 E C -1.653 174.980 176.600 0.056 0.000 0.895 513 E CA -0.591 55.838 56.400 0.048 0.000 0.753 513 E CB 3.240 32.968 29.700 0.046 0.000 1.216 513 E HN -0.161 nan 8.360 nan 0.000 0.434 514 L N 2.205 123.470 121.223 0.069 0.000 2.386 514 L HA 0.559 4.936 4.340 0.061 0.000 0.271 514 L C -1.724 175.218 176.870 0.120 0.000 0.993 514 L CA -0.337 54.559 54.840 0.093 0.000 0.819 514 L CB 1.723 43.830 42.059 0.079 0.000 1.294 514 L HN 0.417 nan 8.230 nan 0.000 0.414 515 D N 3.467 123.961 120.400 0.157 0.000 2.780 515 D HA 0.396 5.073 4.640 0.061 0.000 0.242 515 D C -0.895 175.508 176.300 0.171 0.000 1.135 515 D CA -0.148 53.933 54.000 0.136 0.000 0.859 515 D CB 2.758 43.620 40.800 0.103 0.000 1.530 515 D HN 0.251 nan 8.370 nan 0.000 0.493 516 V N 2.949 122.914 119.914 0.084 0.000 2.455 516 V HA 0.054 4.211 4.120 0.061 0.000 0.273 516 V C 1.358 177.385 176.094 -0.113 0.000 1.045 516 V CA 0.010 62.245 62.300 -0.108 0.000 0.976 516 V CB 1.212 32.952 31.823 -0.139 0.000 0.993 516 V HN 0.452 nan 8.190 nan 0.000 0.475 517 E N 2.544 122.662 120.200 -0.137 0.000 2.276 517 E HA 0.094 4.481 4.350 0.061 0.000 0.193 517 E C 0.714 177.271 176.600 -0.072 0.000 0.983 517 E CA 0.624 57.002 56.400 -0.038 0.000 0.861 517 E CB 0.839 30.592 29.700 0.088 0.000 0.817 517 E HN 0.791 nan 8.360 nan 0.000 0.485 518 S N -0.866 114.741 115.700 -0.155 0.000 2.543 518 S HA 0.414 4.920 4.470 0.061 0.000 0.274 518 S C -1.003 173.479 174.600 -0.196 0.000 1.149 518 S CA -0.914 57.205 58.200 -0.135 0.000 0.866 518 S CB 1.820 64.980 63.200 -0.066 0.000 1.111 518 S HN -0.155 nan 8.310 nan 0.000 0.457 519 V N 2.714 122.537 119.914 -0.151 0.000 2.350 519 V HA 0.412 4.569 4.120 0.061 0.000 0.285 519 V C -0.880 175.160 176.094 -0.090 0.000 1.014 519 V CA -0.634 61.584 62.300 -0.137 0.000 0.831 519 V CB 1.516 33.261 31.823 -0.130 0.000 1.000 519 V HN 0.960 nan 8.190 nan 0.000 0.433 520 D N 4.163 124.516 120.400 -0.079 0.000 2.994 520 D HA 0.180 4.856 4.640 0.061 0.000 0.240 520 D C -0.197 176.083 176.300 -0.034 0.000 1.195 520 D CA 0.362 54.329 54.000 -0.056 0.000 0.957 520 D CB 0.839 41.603 40.800 -0.060 0.000 1.105 520 D HN 0.251 nan 8.370 nan 0.000 0.477 521 V N 1.086 120.986 119.914 -0.024 0.000 2.407 521 V HA 0.078 4.235 4.120 0.061 0.000 0.291 521 V C 0.685 176.787 176.094 0.014 0.000 1.018 521 V CA -0.684 61.622 62.300 0.011 0.000 0.842 521 V CB 2.096 33.938 31.823 0.031 0.000 0.996 521 V HN -0.026 nan 8.190 nan 0.000 0.426 522 D N 2.619 123.034 120.400 0.025 0.000 2.348 522 D HA -0.047 4.630 4.640 0.061 0.000 0.216 522 D C 0.193 176.492 176.300 -0.002 0.000 0.970 522 D CA 0.814 54.814 54.000 0.000 0.000 0.889 522 D CB 0.253 41.054 40.800 0.001 0.000 0.912 522 D HN 0.654 nan 8.370 nan 0.000 0.524 523 W N 1.763 122.971 121.300 -0.154 0.000 2.314 523 W HA 0.366 5.063 4.660 0.061 0.000 0.310 523 W C -2.687 173.726 176.519 -0.176 0.000 1.075 523 W CA -1.925 55.288 57.345 -0.220 0.000 1.253 523 W CB 1.339 30.570 29.460 -0.382 0.000 1.238 523 W HN -0.190 nan 8.180 nan 0.000 0.440 524 P HA 0.442 nan 4.420 nan 0.000 0.294 524 P C -2.691 174.152 177.300 -0.761 0.000 1.325 524 P CA -2.290 59.785 63.100 -1.707 0.000 0.978 524 P CB 1.530 32.329 31.700 -1.500 0.000 1.288 525 P HA 0.087 nan 4.420 nan 0.000 0.265 525 P C -0.227 176.926 177.300 -0.245 0.000 1.193 525 P CA 0.229 63.147 63.100 -0.304 0.000 0.765 525 P CB -0.001 31.570 31.700 -0.215 0.000 0.823 526 A N 4.548 127.266 122.820 -0.170 0.000 2.498 526 A HA 0.319 4.676 4.320 0.061 0.000 0.239 526 A C 0.070 177.591 177.584 -0.105 0.000 1.068 526 A CA -0.003 51.956 52.037 -0.129 0.000 0.766 526 A CB -0.332 18.613 19.000 -0.092 0.000 1.003 526 A HN 0.439 nan 8.150 nan 0.000 0.497 527 L N 2.184 123.353 121.223 -0.090 0.000 2.334 527 L HA 0.393 4.769 4.340 0.061 0.000 0.275 527 L C 0.326 177.169 176.870 -0.045 0.000 1.036 527 L CA -0.458 54.342 54.840 -0.067 0.000 0.807 527 L CB 0.915 42.936 42.059 -0.065 0.000 1.231 527 L HN 0.675 nan 8.230 nan 0.000 0.438 528 D N 0.000 120.379 120.400 -0.035 0.000 6.856 528 D HA 0.000 4.677 4.640 0.061 0.000 0.175 528 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 528 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 528 D HN 0.000 nan 8.370 nan 0.000 0.683