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 1iyj_1_B DATA FIRST_RESID 2403 DATA SEQUENCE FPQFNKDLMS SLQNARDLQD IRIKNKERHH LCPQPGSLYL TKSSTLPRIS DATA SEQUENCE LQAAVGDSVP SACSPKQLYM YGVSKACISV NSKNAEYFQF AIEDHFGKEA DATA SEQUENCE LCAGKGFRLA DGGWLIPSDD GKAGKEEFYR ALCDTPGVDP KLISSVWVSN DATA SEQUENCE HYRWIVWKLA AMEFAFPKEF ANRCLNPERV LLQLKYRYDV EIDNSSRSAL DATA SEQUENCE KKILERDDTA AKTLVLCVSD IISLSXXXXX XXXXXXXXXX XXKVDTIELT DATA SEQUENCE DGWYAVKAQL DPPLLALVKS GRLTVGQKII TQGAELVGSP DACAPLEAPD DATA SEQUENCE SLRLKISANS TRPARWHSKL GFFHDPRPFP LPLSSLFSDG GNVGCVDVIV DATA SEQUENCE QRVYPLQWVE KTVSGSYIFR NEREEEKEAL RFXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS RDVSTVWKLR DATA SEQUENCE VTSYKKREKS ALLSIWRPSS DLPSLLTEGQ RYRIYHLSVS KSKNKFEWPS DATA SEQUENCE IQLTATKRTQ YQQLPVSSET LLQLYQPREL LPFSKLSDPA FQPPCSEVDV DATA SEQUENCE VGVVVSVVKP IGLAPLVYLS DECLHLLVVK FGIDLNEDIK PRVLIAASNL DATA SEQUENCE QWRPESTSRV PTLFAGNFSV FSASPKEAHF QERVTNMKHA IENIDTFYKE DATA SEQUENCE AEKKLIQVLK GDSPK 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 2403 F HA 0.000 nan 4.527 nan 0.000 0.279 2403 F C 0.000 175.831 175.800 0.052 0.000 0.967 2403 F CA 0.000 58.051 58.000 0.085 0.000 1.383 2403 F CB 0.000 39.053 39.000 0.088 0.000 1.145 2404 P HA 0.187 nan 4.420 nan 0.000 0.269 2404 P C -0.729 176.443 177.300 -0.213 0.000 1.215 2404 P CA 0.016 62.949 63.100 -0.279 0.000 0.780 2404 P CB 0.521 32.008 31.700 -0.355 0.000 0.898 2405 Q N -0.159 119.578 119.800 -0.104 0.000 2.201 2405 Q HA 0.226 4.566 4.340 0.001 0.000 0.217 2405 Q C 0.367 176.330 176.000 -0.061 0.000 0.860 2405 Q CA -0.155 55.617 55.803 -0.052 0.000 0.984 2405 Q CB -1.314 27.414 28.738 -0.017 0.000 1.095 2405 Q HN 0.346 nan 8.270 nan 0.000 0.477 2406 F N 1.540 121.429 119.950 -0.103 0.000 2.616 2406 F HA 0.165 4.692 4.527 0.001 0.000 0.331 2406 F C 1.300 177.066 175.800 -0.058 0.000 1.309 2406 F CA -0.074 57.877 58.000 -0.083 0.000 1.068 2406 F CB -1.142 37.793 39.000 -0.109 0.000 1.464 2406 F HN 0.452 nan 8.300 nan 0.000 0.667 2407 N N 0.833 119.512 118.700 -0.034 0.000 2.389 2407 N HA -0.175 4.566 4.740 0.001 0.000 0.194 2407 N C 0.548 176.047 175.510 -0.018 0.000 1.008 2407 N CA 1.887 54.927 53.050 -0.017 0.000 0.898 2407 N CB 0.053 38.532 38.487 -0.012 0.000 0.957 2407 N HN 0.666 nan 8.380 nan 0.000 0.447 2408 K N -1.653 118.729 120.400 -0.030 0.000 2.469 2408 K HA 0.248 4.569 4.320 0.001 0.000 0.268 2408 K C 0.084 176.658 176.600 -0.044 0.000 1.027 2408 K CA -0.368 55.902 56.287 -0.029 0.000 0.893 2408 K CB 1.268 33.753 32.500 -0.026 0.000 1.460 2408 K HN -0.147 nan 8.250 nan 0.000 0.449 2409 D N -0.409 119.966 120.400 -0.042 0.000 4.365 2409 D HA -0.289 4.351 4.640 0.001 0.000 0.198 2409 D C 1.239 177.501 176.300 -0.064 0.000 0.997 2409 D CA 2.089 56.058 54.000 -0.052 0.000 2.182 2409 D CB -1.037 39.728 40.800 -0.058 0.000 1.147 2409 D HN 0.449 nan 8.370 nan 0.000 0.409 2410 L N 0.347 121.515 121.223 -0.092 0.000 2.129 2410 L HA -0.087 4.254 4.340 0.001 0.000 0.212 2410 L C 2.147 178.985 176.870 -0.054 0.000 1.087 2410 L CA 2.012 56.774 54.840 -0.129 0.000 0.757 2410 L CB -0.307 41.602 42.059 -0.250 0.000 0.896 2410 L HN 0.278 nan 8.230 nan 0.000 0.434 2411 M N -1.340 118.242 119.600 -0.030 0.000 2.492 2411 M HA -0.004 4.476 4.480 0.001 0.000 0.262 2411 M C 2.196 178.495 176.300 -0.001 0.000 1.090 2411 M CA 1.269 56.576 55.300 0.011 0.000 1.110 2411 M CB -1.249 31.355 32.600 0.007 0.000 1.407 2411 M HN 0.621 nan 8.290 nan 0.000 0.470 2412 S N -0.109 115.577 115.700 -0.022 0.000 2.517 2412 S HA -0.023 4.447 4.470 0.001 0.000 0.228 2412 S C 2.010 176.585 174.600 -0.040 0.000 1.060 2412 S CA 0.700 58.882 58.200 -0.030 0.000 0.937 2412 S CB -0.651 62.529 63.200 -0.035 0.000 0.840 2412 S HN 0.465 nan 8.310 nan 0.000 0.546 2413 S N 3.496 119.166 115.700 -0.050 0.000 2.414 2413 S HA -0.214 4.256 4.470 0.001 0.000 0.241 2413 S C 1.819 176.379 174.600 -0.066 0.000 1.079 2413 S CA 1.827 59.988 58.200 -0.065 0.000 1.087 2413 S CB -1.349 61.806 63.200 -0.075 0.000 0.927 2413 S HN 0.563 nan 8.310 nan 0.000 0.456 2414 L N 0.604 121.806 121.223 -0.036 0.000 1.971 2414 L HA -0.041 4.299 4.340 0.001 0.000 0.208 2414 L C 2.964 179.806 176.870 -0.046 0.000 1.083 2414 L CA 1.549 56.371 54.840 -0.029 0.000 0.753 2414 L CB -1.110 40.968 42.059 0.032 0.000 0.893 2414 L HN 0.303 nan 8.230 nan 0.000 0.436 2415 Q N 0.874 120.657 119.800 -0.028 0.000 2.388 2415 Q HA -0.292 4.048 4.340 0.001 0.000 0.216 2415 Q C 1.617 177.585 176.000 -0.053 0.000 0.997 2415 Q CA 2.368 58.150 55.803 -0.034 0.000 0.923 2415 Q CB -0.469 28.255 28.738 -0.024 0.000 0.922 2415 Q HN 0.493 nan 8.270 nan 0.000 0.435 2416 N N -1.324 117.338 118.700 -0.064 0.000 2.278 2416 N HA 0.039 4.780 4.740 0.001 0.000 0.181 2416 N C 1.410 176.855 175.510 -0.108 0.000 1.023 2416 N CA 1.413 54.415 53.050 -0.079 0.000 0.862 2416 N CB -0.528 37.911 38.487 -0.079 0.000 1.003 2416 N HN 0.241 nan 8.380 nan 0.000 0.431 2417 A N 0.890 123.634 122.820 -0.128 0.000 1.986 2417 A HA -0.172 4.149 4.320 0.001 0.000 0.220 2417 A C 2.155 179.636 177.584 -0.171 0.000 1.171 2417 A CA 1.265 53.192 52.037 -0.184 0.000 0.640 2417 A CB -0.525 18.357 19.000 -0.197 0.000 0.811 2417 A HN 0.376 nan 8.150 nan 0.000 0.451 2418 R N 0.196 120.625 120.500 -0.119 0.000 2.089 2418 R HA -0.114 4.226 4.340 0.001 0.000 0.222 2418 R C 1.894 178.134 176.300 -0.100 0.000 1.151 2418 R CA 1.613 57.652 56.100 -0.101 0.000 0.908 2418 R CB -0.848 29.409 30.300 -0.072 0.000 0.813 2418 R HN 0.665 nan 8.270 nan 0.000 0.440 2419 D N 1.107 121.458 120.400 -0.082 0.000 2.228 2419 D HA -0.215 4.425 4.640 0.001 0.000 0.203 2419 D C 1.862 178.109 176.300 -0.088 0.000 0.988 2419 D CA 0.850 54.805 54.000 -0.075 0.000 0.864 2419 D CB -0.366 40.397 40.800 -0.061 0.000 0.928 2419 D HN 0.189 nan 8.370 nan 0.000 0.469 2420 L N -0.388 120.770 121.223 -0.109 0.000 2.046 2420 L HA -0.246 4.094 4.340 0.001 0.000 0.208 2420 L C 2.613 179.402 176.870 -0.135 0.000 1.077 2420 L CA 1.534 56.299 54.840 -0.125 0.000 0.747 2420 L CB -0.267 41.697 42.059 -0.159 0.000 0.896 2420 L HN 0.126 nan 8.230 nan 0.000 0.432 2421 Q N -0.527 119.182 119.800 -0.152 0.000 2.046 2421 Q HA -0.247 4.093 4.340 0.001 0.000 0.200 2421 Q C 1.680 177.619 176.000 -0.100 0.000 0.975 2421 Q CA 1.782 57.501 55.803 -0.140 0.000 0.836 2421 Q CB -0.080 28.574 28.738 -0.140 0.000 0.896 2421 Q HN 0.479 nan 8.270 nan 0.000 0.428 2422 D N 0.666 121.010 120.400 -0.093 0.000 2.220 2422 D HA -0.208 4.432 4.640 0.001 0.000 0.198 2422 D C 1.849 178.106 176.300 -0.071 0.000 1.001 2422 D CA 1.365 55.317 54.000 -0.080 0.000 0.875 2422 D CB -0.137 40.621 40.800 -0.069 0.000 0.921 2422 D HN 0.438 nan 8.370 nan 0.000 0.454 2423 I N 0.338 120.865 120.570 -0.071 0.000 2.233 2423 I HA -0.193 3.977 4.170 0.001 0.000 0.243 2423 I C 2.598 178.680 176.117 -0.058 0.000 1.093 2423 I CA 0.646 61.909 61.300 -0.062 0.000 1.380 2423 I CB -0.183 37.781 38.000 -0.061 0.000 1.067 2423 I HN -0.111 nan 8.210 nan 0.000 0.413 2424 R N 1.014 121.477 120.500 -0.062 0.000 2.115 2424 R HA -0.209 4.132 4.340 0.001 0.000 0.239 2424 R C 2.350 178.626 176.300 -0.041 0.000 1.133 2424 R CA 1.881 57.955 56.100 -0.044 0.000 0.935 2424 R CB -0.578 29.695 30.300 -0.045 0.000 0.853 2424 R HN 0.320 nan 8.270 nan 0.000 0.433 2425 I N 0.683 121.221 120.570 -0.052 0.000 2.163 2425 I HA -0.320 3.851 4.170 0.001 0.000 0.243 2425 I C 2.501 178.581 176.117 -0.061 0.000 1.085 2425 I CA 1.292 62.557 61.300 -0.057 0.000 1.347 2425 I CB -0.295 37.658 38.000 -0.078 0.000 1.044 2425 I HN 0.095 nan 8.210 nan 0.000 0.408 2426 K N 1.361 121.724 120.400 -0.062 0.000 2.074 2426 K HA -0.234 4.086 4.320 0.001 0.000 0.209 2426 K C 1.912 178.462 176.600 -0.084 0.000 1.048 2426 K CA 1.615 57.863 56.287 -0.064 0.000 0.926 2426 K CB -0.445 32.021 32.500 -0.057 0.000 0.713 2426 K HN 0.205 nan 8.250 nan 0.000 0.444 2427 N N 0.784 119.436 118.700 -0.079 0.000 2.069 2427 N HA -0.163 4.578 4.740 0.001 0.000 0.191 2427 N C 1.381 176.778 175.510 -0.188 0.000 1.031 2427 N CA 1.391 54.379 53.050 -0.103 0.000 0.852 2427 N CB -0.019 38.446 38.487 -0.038 0.000 1.018 2427 N HN 0.235 nan 8.380 nan 0.000 0.423 2428 K N 0.803 121.131 120.400 -0.120 0.000 2.127 2428 K HA -0.188 4.132 4.320 0.001 0.000 0.212 2428 K C 1.342 177.805 176.600 -0.229 0.000 1.050 2428 K CA 1.491 57.703 56.287 -0.124 0.000 0.929 2428 K CB -0.218 32.249 32.500 -0.055 0.000 0.715 2428 K HN 0.398 nan 8.250 nan 0.000 0.457 2429 E N 0.144 120.234 120.200 -0.184 0.000 2.526 2429 E HA -0.173 4.177 4.350 0.001 0.000 0.206 2429 E C 1.019 177.461 176.600 -0.262 0.000 1.139 2429 E CA 0.507 56.803 56.400 -0.174 0.000 0.913 2429 E CB -0.022 29.611 29.700 -0.112 0.000 0.868 2429 E HN 0.237 nan 8.360 nan 0.000 0.564 2430 R N -0.225 119.980 120.500 -0.492 0.000 2.437 2430 R HA 0.139 4.479 4.340 0.001 0.000 0.257 2430 R C 0.053 175.968 176.300 -0.643 0.000 0.927 2430 R CA 0.075 55.824 56.100 -0.585 0.000 1.078 2430 R CB 0.530 30.457 30.300 -0.621 0.000 1.161 2430 R HN 0.138 nan 8.270 nan 0.000 0.529 2431 H N -1.465 117.509 119.070 -0.161 0.000 2.966 2431 H HA 0.259 4.815 4.556 0.001 0.000 0.330 2431 H C -0.694 174.475 175.328 -0.265 0.000 1.292 2431 H CA -0.870 55.036 56.048 -0.236 0.000 1.127 2431 H CB 0.575 30.285 29.762 -0.085 0.000 1.863 2431 H HN 0.004 nan 8.280 nan 0.000 0.543 2432 H N 2.163 121.326 119.070 0.156 0.000 2.969 2432 H HA 0.194 4.751 4.556 0.001 0.000 0.269 2432 H C 0.237 175.619 175.328 0.091 0.000 1.223 2432 H CA -0.268 55.832 56.048 0.086 0.000 1.400 2432 H CB 0.108 29.906 29.762 0.060 0.000 1.500 2432 H HN 0.194 nan 8.280 nan 0.000 0.486 2433 L N 3.143 124.458 121.223 0.153 0.000 2.530 2433 L HA 0.041 4.381 4.340 0.001 0.000 0.273 2433 L C 1.310 178.247 176.870 0.113 0.000 1.141 2433 L CA -0.332 54.583 54.840 0.125 0.000 0.905 2433 L CB -0.213 41.903 42.059 0.094 0.000 1.202 2433 L HN 0.552 nan 8.230 nan 0.000 0.473 2434 C N 6.036 125.395 119.300 0.099 0.000 2.679 2434 C HA 0.334 4.794 4.460 0.001 0.000 0.417 2434 C C -1.520 173.514 174.990 0.073 0.000 1.302 2434 C CA -1.039 58.025 59.018 0.076 0.000 1.973 2434 C CB 0.020 27.795 27.740 0.059 0.000 2.715 2434 C HN 0.639 nan 8.230 nan 0.000 0.628 2435 P HA 0.341 nan 4.420 nan 0.000 0.272 2435 P C -1.418 175.921 177.300 0.066 0.000 1.230 2435 P CA 0.209 63.349 63.100 0.066 0.000 0.788 2435 P CB 0.296 32.016 31.700 0.033 0.000 0.949 2436 Q N 1.627 121.475 119.800 0.080 0.000 2.759 2436 Q HA 0.258 4.599 4.340 0.001 0.000 0.225 2436 Q C -2.778 173.279 176.000 0.094 0.000 0.823 2436 Q CA -1.675 54.175 55.803 0.078 0.000 0.828 2436 Q CB 1.275 30.058 28.738 0.075 0.000 1.425 2436 Q HN 0.246 nan 8.270 nan 0.000 0.449 2437 P HA 0.073 nan 4.420 nan 0.000 0.267 2437 P C 0.244 177.641 177.300 0.162 0.000 1.200 2437 P CA 0.324 63.491 63.100 0.112 0.000 0.772 2437 P CB 0.974 32.767 31.700 0.155 0.000 0.855 2438 G N 0.461 109.390 108.800 0.215 0.000 2.553 2438 G HA2 0.096 4.057 3.960 0.001 0.000 0.278 2438 G HA3 0.096 4.057 3.960 0.001 0.000 0.278 2438 G C 1.123 176.137 174.900 0.189 0.000 1.349 2438 G CA -0.138 45.085 45.100 0.205 0.000 1.037 2438 G HN 0.526 nan 8.290 nan 0.000 0.508 2439 S N -1.454 114.332 115.700 0.142 0.000 2.489 2439 S HA 0.072 4.542 4.470 0.001 0.000 0.228 2439 S C 2.028 176.684 174.600 0.093 0.000 0.995 2439 S CA 0.447 58.707 58.200 0.100 0.000 0.934 2439 S CB -0.304 62.932 63.200 0.061 0.000 0.771 2439 S HN 0.402 nan 8.310 nan 0.000 0.522 2440 L N -0.944 120.357 121.223 0.131 0.000 2.262 2440 L HA 0.207 4.548 4.340 0.001 0.000 0.197 2440 L C 2.009 178.986 176.870 0.179 0.000 1.073 2440 L CA 0.752 55.630 54.840 0.062 0.000 0.800 2440 L CB -0.833 41.173 42.059 -0.088 0.000 0.987 2440 L HN 0.304 nan 8.230 nan 0.000 0.470 2441 Y N 0.760 121.253 120.300 0.321 0.000 2.538 2441 Y HA -0.203 4.348 4.550 0.001 0.000 0.287 2441 Y C 2.052 178.063 175.900 0.186 0.000 1.157 2441 Y CA 1.216 59.534 58.100 0.364 0.000 1.338 2441 Y CB 0.052 38.692 38.460 0.300 0.000 0.970 2441 Y HN 0.098 nan 8.280 nan 0.000 0.564 2442 L N -2.043 119.310 121.223 0.217 0.000 2.463 2442 L HA -0.038 4.302 4.340 0.001 0.000 0.219 2442 L C 2.205 179.102 176.870 0.044 0.000 1.088 2442 L CA 0.773 55.693 54.840 0.134 0.000 0.849 2442 L CB -0.017 42.131 42.059 0.148 0.000 1.012 2442 L HN 0.036 nan 8.230 nan 0.000 0.468 2443 T N -0.646 113.923 114.554 0.026 0.000 2.901 2443 T HA -0.081 4.270 4.350 0.001 0.000 0.252 2443 T C 1.809 176.489 174.700 -0.033 0.000 1.035 2443 T CA 0.941 63.038 62.100 -0.004 0.000 1.142 2443 T CB 0.195 69.058 68.868 -0.009 0.000 0.869 2443 T HN 0.146 nan 8.240 nan 0.000 0.442 2444 K N 1.628 121.996 120.400 -0.053 0.000 2.097 2444 K HA -0.050 4.270 4.320 0.001 0.000 0.206 2444 K C 2.555 179.091 176.600 -0.106 0.000 1.049 2444 K CA 1.554 57.797 56.287 -0.073 0.000 0.933 2444 K CB -0.137 32.323 32.500 -0.068 0.000 0.717 2444 K HN 0.345 nan 8.250 nan 0.000 0.442 2445 S N 0.766 116.366 115.700 -0.166 0.000 2.481 2445 S HA -0.073 4.397 4.470 0.001 0.000 0.231 2445 S C 1.290 175.843 174.600 -0.079 0.000 0.996 2445 S CA 0.448 58.533 58.200 -0.193 0.000 0.942 2445 S CB -0.352 62.679 63.200 -0.281 0.000 0.768 2445 S HN 0.284 nan 8.310 nan 0.000 0.520 2446 S N 0.902 116.573 115.700 -0.047 0.000 2.625 2446 S HA 0.314 4.784 4.470 0.001 0.000 0.258 2446 S C 1.075 175.659 174.600 -0.027 0.000 1.256 2446 S CA 0.113 58.300 58.200 -0.022 0.000 0.983 2446 S CB -0.198 62.996 63.200 -0.009 0.000 1.032 2446 S HN 0.311 nan 8.310 nan 0.000 0.572 2447 T N 0.599 115.142 114.554 -0.018 0.000 3.053 2447 T HA 0.279 4.630 4.350 0.001 0.000 0.223 2447 T C 0.049 174.736 174.700 -0.021 0.000 1.015 2447 T CA 0.316 62.404 62.100 -0.020 0.000 1.655 2447 T CB -1.073 67.787 68.868 -0.014 0.000 1.279 2447 T HN 0.642 nan 8.240 nan 0.000 0.431 2448 L N 2.381 123.594 121.223 -0.016 0.000 3.260 2448 L HA -0.087 4.253 4.340 0.001 0.000 0.527 2448 L C -2.264 174.594 176.870 -0.020 0.000 1.002 2448 L CA -0.971 53.860 54.840 -0.016 0.000 1.246 2448 L CB -1.034 41.016 42.059 -0.015 0.000 1.077 2448 L HN 0.360 nan 8.230 nan 0.000 0.594 2449 P HA -0.035 nan 4.420 nan 0.000 0.256 2449 P C -0.108 177.179 177.300 -0.023 0.000 1.173 2449 P CA 0.447 63.535 63.100 -0.021 0.000 0.768 2449 P CB 0.340 32.030 31.700 -0.018 0.000 0.758 2450 R N 3.355 123.839 120.500 -0.027 0.000 2.580 2450 R HA 0.555 4.896 4.340 0.001 0.000 0.267 2450 R C 0.537 176.822 176.300 -0.026 0.000 1.125 2450 R CA -0.822 55.261 56.100 -0.028 0.000 1.188 2450 R CB 0.435 30.715 30.300 -0.033 0.000 1.155 2450 R HN 0.491 nan 8.270 nan 0.000 0.586 2451 I N 0.639 121.195 120.570 -0.024 0.000 2.468 2451 I HA 0.084 4.254 4.170 0.001 0.000 0.285 2451 I C 0.410 176.515 176.117 -0.020 0.000 1.039 2451 I CA -0.696 60.592 61.300 -0.020 0.000 1.074 2451 I CB 2.021 40.016 38.000 -0.010 0.000 1.228 2451 I HN 0.635 nan 8.210 nan 0.000 0.436 2452 S N 5.694 121.377 115.700 -0.030 0.000 2.576 2452 S HA 0.172 4.642 4.470 0.001 0.000 0.272 2452 S C 1.130 175.715 174.600 -0.026 0.000 1.352 2452 S CA -0.445 57.733 58.200 -0.037 0.000 1.021 2452 S CB 1.229 64.396 63.200 -0.055 0.000 0.887 2452 S HN 0.723 nan 8.310 nan 0.000 0.542 2453 L N 1.019 122.226 121.223 -0.026 0.000 2.046 2453 L HA -0.173 4.167 4.340 0.001 0.000 0.208 2453 L C 3.032 179.920 176.870 0.030 0.000 1.077 2453 L CA 1.969 56.833 54.840 0.040 0.000 0.747 2453 L CB -0.566 41.516 42.059 0.039 0.000 0.896 2453 L HN 0.994 nan 8.230 nan 0.000 0.432 2454 Q N -0.534 119.199 119.800 -0.111 0.000 2.002 2454 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 2454 Q C 2.185 178.147 176.000 -0.063 0.000 0.988 2454 Q CA 2.130 57.860 55.803 -0.122 0.000 0.843 2454 Q CB -0.173 28.302 28.738 -0.438 0.000 0.908 2454 Q HN 0.612 nan 8.270 nan 0.000 0.420 2455 A N 1.013 123.788 122.820 -0.076 0.000 1.859 2455 A HA -0.261 4.060 4.320 0.001 0.000 0.217 2455 A C 2.338 179.879 177.584 -0.072 0.000 1.198 2455 A CA 2.361 54.361 52.037 -0.061 0.000 0.629 2455 A CB -1.516 17.454 19.000 -0.049 0.000 0.830 2455 A HN 0.629 nan 8.150 nan 0.000 0.446 2456 A N -0.757 122.024 122.820 -0.065 0.000 1.873 2456 A HA -0.212 4.108 4.320 0.001 0.000 0.219 2456 A C 2.251 179.712 177.584 -0.205 0.000 1.269 2456 A CA 2.714 54.693 52.037 -0.097 0.000 0.671 2456 A CB -1.428 17.566 19.000 -0.010 0.000 0.842 2456 A HN 0.688 nan 8.150 nan 0.000 0.460 2457 V N -0.713 119.035 119.914 -0.276 0.000 2.392 2457 V HA 0.079 4.200 4.120 0.001 0.000 0.249 2457 V C 1.711 177.699 176.094 -0.177 0.000 1.059 2457 V CA 1.599 63.675 62.300 -0.373 0.000 1.051 2457 V CB -1.708 29.761 31.823 -0.591 0.000 0.658 2457 V HN 1.709 nan 8.190 nan 0.000 0.455 2458 G N 0.527 109.265 108.800 -0.102 0.000 2.470 2458 G HA2 -0.188 3.772 3.960 0.001 0.000 0.286 2458 G HA3 -0.188 3.772 3.960 0.001 0.000 0.286 2458 G C 0.008 174.894 174.900 -0.024 0.000 1.115 2458 G CA 0.282 45.346 45.100 -0.061 0.000 1.122 2458 G HN 0.446 nan 8.290 nan 0.000 0.522 2459 D N -1.845 118.561 120.400 0.010 0.000 3.260 2459 D HA -0.248 4.393 4.640 0.001 0.000 0.205 2459 D C 1.316 177.667 176.300 0.084 0.000 1.300 2459 D CA 2.048 56.075 54.000 0.045 0.000 2.160 2459 D CB -1.573 39.239 40.800 0.019 0.000 1.288 2459 D HN 1.469 nan 8.370 nan 0.000 0.490 2460 S N 0.507 116.233 115.700 0.043 0.000 2.564 2460 S HA 0.228 4.699 4.470 0.001 0.000 0.263 2460 S C 0.474 175.097 174.600 0.038 0.000 1.378 2460 S CA 0.407 58.626 58.200 0.032 0.000 0.996 2460 S CB 0.710 63.920 63.200 0.017 0.000 0.881 2460 S HN 0.543 nan 8.310 nan 0.000 0.555 2461 V N 0.038 119.887 119.914 -0.107 0.000 3.113 2461 V HA 0.698 4.818 4.120 0.001 0.000 0.316 2461 V C -2.826 172.861 176.094 -0.679 0.000 1.125 2461 V CA -2.741 59.313 62.300 -0.411 0.000 1.026 2461 V CB 0.659 32.306 31.823 -0.294 0.000 1.080 2461 V HN 0.682 nan 8.190 nan 0.000 0.444 2462 P HA 0.154 nan 4.420 nan 0.000 0.254 2462 P C -0.465 176.415 177.300 -0.700 0.000 1.186 2462 P CA 0.913 63.337 63.100 -1.126 0.000 0.868 2462 P CB 0.033 31.317 31.700 -0.692 0.000 0.856 2463 S N 3.214 118.481 115.700 -0.721 0.000 2.454 2463 S HA 0.687 5.157 4.470 0.001 0.000 0.306 2463 S C 0.250 174.545 174.600 -0.509 0.000 1.100 2463 S CA -0.695 57.225 58.200 -0.466 0.000 1.087 2463 S CB 0.553 63.541 63.200 -0.353 0.000 1.019 2463 S HN 0.404 nan 8.310 nan 0.000 0.480 2464 A N 2.877 125.443 122.820 -0.424 0.000 2.504 2464 A HA 0.180 4.500 4.320 0.001 0.000 0.242 2464 A C 1.902 179.139 177.584 -0.577 0.000 1.100 2464 A CA 0.281 51.985 52.037 -0.555 0.000 0.786 2464 A CB -1.122 17.719 19.000 -0.265 0.000 1.050 2464 A HN 1.526 nan 8.150 nan 0.000 0.512 2465 C N -1.350 117.501 119.300 -0.748 0.000 4.152 2465 C HA 0.385 4.846 4.460 0.001 0.000 0.294 2465 C C 1.815 176.711 174.990 -0.157 0.000 1.201 2465 C CA 1.437 60.239 59.018 -0.359 0.000 1.844 2465 C CB -1.449 26.276 27.740 -0.025 0.000 1.962 2465 C HN 2.406 nan 8.230 nan 0.000 0.402 2466 S N -1.627 114.027 115.700 -0.078 0.000 4.701 2466 S HA 0.507 4.978 4.470 0.001 0.000 0.036 2466 S C -0.409 174.146 174.600 -0.074 0.000 0.861 2466 S CA 1.170 59.327 58.200 -0.073 0.000 0.893 2466 S CB -1.719 61.437 63.200 -0.074 0.000 0.337 2466 S HN 1.642 nan 8.310 nan 0.000 0.804 2467 P HA -0.124 nan 4.420 nan 0.000 0.281 2467 P C 0.998 178.180 177.300 -0.197 0.000 0.823 2467 P CA 4.794 67.862 63.100 -0.054 0.000 0.945 2467 P CB -1.409 30.260 31.700 -0.052 0.000 0.903 2468 K N -2.391 117.853 120.400 -0.259 0.000 2.627 2468 K HA 0.750 5.071 4.320 0.001 0.000 0.269 2468 K C 1.945 178.329 176.600 -0.360 0.000 1.029 2468 K CA 1.830 57.831 56.287 -0.477 0.000 1.026 2468 K CB -1.231 31.084 32.500 -0.308 0.000 1.350 2468 K HN 2.009 nan 8.250 nan 0.000 0.506 2469 Q N -3.636 115.961 119.800 -0.337 0.000 2.223 2469 Q HA -0.252 4.088 4.340 0.001 0.000 0.150 2469 Q C 2.331 178.251 176.000 -0.135 0.000 0.715 2469 Q CA 3.184 58.861 55.803 -0.210 0.000 1.376 2469 Q CB -2.966 25.688 28.738 -0.140 0.000 1.373 2469 Q HN 2.315 nan 8.270 nan 0.000 0.940 2470 L N -0.927 120.217 121.223 -0.131 0.000 2.275 2470 L HA 0.200 4.541 4.340 0.001 0.000 0.215 2470 L C 2.432 179.458 176.870 0.259 0.000 1.119 2470 L CA 2.455 57.351 54.840 0.094 0.000 0.790 2470 L CB -1.374 40.757 42.059 0.120 0.000 0.919 2470 L HN 0.896 nan 8.230 nan 0.000 0.443 2471 Y N -1.963 118.351 120.300 0.024 0.000 2.365 2471 Y HA -0.082 4.468 4.550 0.001 0.000 0.293 2471 Y C 2.617 178.490 175.900 -0.045 0.000 1.119 2471 Y CA 0.806 58.910 58.100 0.007 0.000 1.203 2471 Y CB 0.132 38.589 38.460 -0.005 0.000 1.026 2471 Y HN 0.385 nan 8.280 nan 0.000 0.549 2472 M N -0.341 119.253 119.600 -0.010 0.000 2.267 2472 M HA -0.265 4.216 4.480 0.001 0.000 0.263 2472 M C 0.601 176.689 176.300 -0.353 0.000 1.063 2472 M CA 2.002 57.156 55.300 -0.244 0.000 1.090 2472 M CB -0.021 32.308 32.600 -0.451 0.000 1.392 2472 M HN 0.282 nan 8.290 nan 0.000 0.422 2473 Y N -0.662 119.682 120.300 0.073 0.000 2.430 2473 Y HA 0.416 4.966 4.550 0.001 0.000 0.254 2473 Y C 0.991 176.945 175.900 0.090 0.000 1.088 2473 Y CA 0.088 58.226 58.100 0.063 0.000 1.267 2473 Y CB 0.246 38.733 38.460 0.044 0.000 1.204 2473 Y HN 0.262 nan 8.280 nan 0.000 0.515 2474 G N 1.331 110.277 108.800 0.243 0.000 3.038 2474 G HA2 -0.074 3.886 3.960 0.001 0.000 0.241 2474 G HA3 -0.074 3.886 3.960 0.001 0.000 0.241 2474 G C -1.122 173.908 174.900 0.217 0.000 0.968 2474 G CA -0.107 45.116 45.100 0.204 0.000 0.949 2474 G HN 0.079 nan 8.290 nan 0.000 0.394 2475 V N 3.057 123.116 119.914 0.242 0.000 2.380 2475 V HA 0.568 4.689 4.120 0.001 0.000 0.286 2475 V C 1.037 177.253 176.094 0.203 0.000 1.015 2475 V CA -0.100 62.339 62.300 0.232 0.000 0.834 2475 V CB 1.558 33.545 31.823 0.274 0.000 1.009 2475 V HN 1.637 nan 8.190 nan 0.000 0.428 2476 S N 4.584 120.384 115.700 0.166 0.000 3.298 2476 S HA -0.103 4.368 4.470 0.001 0.000 0.389 2476 S C 1.410 176.085 174.600 0.125 0.000 1.186 2476 S CA 0.382 58.660 58.200 0.131 0.000 1.034 2476 S CB 0.034 63.332 63.200 0.164 0.000 0.735 2476 S HN 0.755 nan 8.310 nan 0.000 0.510 2477 K N 3.918 124.373 120.400 0.092 0.000 2.360 2477 K HA -0.131 4.190 4.320 0.001 0.000 0.201 2477 K C 2.135 178.772 176.600 0.061 0.000 1.046 2477 K CA 1.244 57.584 56.287 0.089 0.000 0.940 2477 K CB -0.277 32.260 32.500 0.060 0.000 0.748 2477 K HN 0.741 nan 8.250 nan 0.000 0.465 2478 A N 1.094 123.955 122.820 0.068 0.000 1.874 2478 A HA -0.144 4.176 4.320 0.001 0.000 0.214 2478 A C 2.499 180.196 177.584 0.188 0.000 1.189 2478 A CA 1.327 53.410 52.037 0.077 0.000 0.615 2478 A CB -0.882 18.126 19.000 0.013 0.000 0.830 2478 A HN 0.604 nan 8.150 nan 0.000 0.443 2479 C N -0.534 118.894 119.300 0.213 0.000 2.446 2479 C HA 0.068 4.528 4.460 0.001 0.000 0.277 2479 C C 2.283 177.280 174.990 0.013 0.000 1.275 2479 C CA 0.832 59.942 59.018 0.153 0.000 1.727 2479 C CB -1.573 26.234 27.740 0.111 0.000 2.010 2479 C HN 0.509 nan 8.230 nan 0.000 0.486 2480 I N 2.223 122.789 120.570 -0.006 0.000 2.908 2480 I HA -0.129 4.042 4.170 0.001 0.000 0.271 2480 I C 1.211 177.207 176.117 -0.202 0.000 1.275 2480 I CA 1.182 62.370 61.300 -0.188 0.000 1.446 2480 I CB -0.376 37.598 38.000 -0.043 0.000 1.092 2480 I HN 0.437 nan 8.210 nan 0.000 0.482 2481 S N 0.353 116.016 115.700 -0.062 0.000 2.449 2481 S HA 0.284 4.754 4.470 0.001 0.000 0.237 2481 S C -0.205 174.393 174.600 -0.003 0.000 1.214 2481 S CA -0.160 58.018 58.200 -0.036 0.000 1.226 2481 S CB 0.687 63.893 63.200 0.009 0.000 0.904 2481 S HN 0.133 nan 8.310 nan 0.000 0.490 2482 V N 3.172 123.060 119.914 -0.043 0.000 2.524 2482 V HA 0.535 4.656 4.120 0.001 0.000 0.297 2482 V C -0.848 175.239 176.094 -0.012 0.000 1.035 2482 V CA -0.862 61.424 62.300 -0.023 0.000 0.867 2482 V CB 1.509 33.300 31.823 -0.054 0.000 1.004 2482 V HN 0.616 nan 8.190 nan 0.000 0.426 2483 N N 4.003 122.672 118.700 -0.053 0.000 2.447 2483 N HA 0.264 5.004 4.740 0.001 0.000 0.271 2483 N C 0.864 176.173 175.510 -0.334 0.000 1.226 2483 N CA 0.286 53.291 53.050 -0.075 0.000 0.980 2483 N CB 1.738 40.180 38.487 -0.075 0.000 1.206 2483 N HN 0.406 nan 8.380 nan 0.000 0.558 2484 S N -1.036 114.296 115.700 -0.613 0.000 2.723 2484 S HA 0.055 4.525 4.470 0.001 0.000 0.231 2484 S C 0.687 174.828 174.600 -0.766 0.000 0.967 2484 S CA 0.428 57.806 58.200 -1.370 0.000 0.958 2484 S CB -0.583 61.599 63.200 -1.698 0.000 0.778 2484 S HN 0.491 nan 8.310 nan 0.000 0.537 2485 K N 0.897 121.028 120.400 -0.448 0.000 2.491 2485 K HA 0.203 4.523 4.320 0.001 0.000 0.211 2485 K C 0.909 177.378 176.600 -0.218 0.000 1.210 2485 K CA 0.585 56.688 56.287 -0.307 0.000 1.003 2485 K CB 0.198 32.594 32.500 -0.174 0.000 1.009 2485 K HN 0.673 nan 8.250 nan 0.000 0.577 2486 N N -0.823 117.763 118.700 -0.189 0.000 2.294 2486 N HA 0.061 4.802 4.740 0.001 0.000 0.186 2486 N C 1.565 176.986 175.510 -0.148 0.000 1.107 2486 N CA 0.668 53.706 53.050 -0.019 0.000 0.884 2486 N CB 0.167 38.689 38.487 0.059 0.000 1.030 2486 N HN -0.090 nan 8.380 nan 0.000 0.482 2487 A N 1.328 123.970 122.820 -0.298 0.000 1.997 2487 A HA -0.263 4.058 4.320 0.001 0.000 0.221 2487 A C 2.003 179.355 177.584 -0.385 0.000 1.172 2487 A CA 1.676 53.510 52.037 -0.339 0.000 0.645 2487 A CB -0.874 17.883 19.000 -0.406 0.000 0.813 2487 A HN 0.585 nan 8.150 nan 0.000 0.454 2488 E N -2.194 117.620 120.200 -0.644 0.000 2.463 2488 E HA -0.170 4.180 4.350 0.001 0.000 0.201 2488 E C 0.596 176.771 176.600 -0.708 0.000 1.045 2488 E CA 0.988 56.930 56.400 -0.763 0.000 0.872 2488 E CB -0.020 28.984 29.700 -1.160 0.000 0.797 2488 E HN 0.798 nan 8.360 nan 0.000 0.538 2489 Y N -1.981 118.404 120.300 0.143 0.000 3.057 2489 Y HA 0.165 4.715 4.550 0.001 0.000 0.148 2489 Y C 1.183 177.280 175.900 0.328 0.000 0.877 2489 Y CA -0.080 58.130 58.100 0.182 0.000 1.833 2489 Y CB -0.703 37.799 38.460 0.071 0.000 1.278 2489 Y HN 0.009 nan 8.280 nan 0.000 0.357 2490 F N 0.207 120.254 119.950 0.163 0.000 2.546 2490 F HA -0.476 4.052 4.527 0.001 0.000 0.723 2490 F C -0.459 175.359 175.800 0.030 0.000 0.485 2490 F CA 2.188 60.198 58.000 0.015 0.000 0.728 2490 F CB -1.029 37.910 39.000 -0.101 0.000 1.601 2490 F HN 0.460 nan 8.300 nan 0.000 0.271 2491 Q N -0.004 119.778 119.800 -0.029 0.000 2.418 2491 Q HA -0.167 4.174 4.340 0.001 0.000 0.290 2491 Q C -0.710 175.047 176.000 -0.405 0.000 1.266 2491 Q CA 0.762 56.528 55.803 -0.060 0.000 0.732 2491 Q CB -1.695 27.038 28.738 -0.008 0.000 0.850 2491 Q HN 0.424 nan 8.270 nan 0.000 0.314 2492 F N 1.064 120.969 119.950 -0.075 0.000 2.490 2492 F HA 0.281 4.809 4.527 0.001 0.000 0.336 2492 F C 1.201 177.016 175.800 0.026 0.000 1.178 2492 F CA 0.538 58.531 58.000 -0.011 0.000 1.301 2492 F CB 0.548 39.741 39.000 0.322 0.000 1.175 2492 F HN 0.570 nan 8.300 nan 0.000 0.593 2493 A N 2.981 125.943 122.820 0.237 0.000 2.690 2493 A HA 0.472 4.792 4.320 0.001 0.000 0.342 2493 A C 0.959 178.679 177.584 0.227 0.000 1.410 2493 A CA -0.620 51.492 52.037 0.124 0.000 0.958 2493 A CB -0.899 18.105 19.000 0.007 0.000 1.153 2493 A HN 0.680 nan 8.150 nan 0.000 0.497 2494 I N 1.203 121.940 120.570 0.278 0.000 2.285 2494 I HA -0.397 3.773 4.170 0.001 0.000 0.253 2494 I C 2.033 178.409 176.117 0.430 0.000 1.104 2494 I CA 2.245 63.805 61.300 0.432 0.000 1.372 2494 I CB -1.332 36.802 38.000 0.224 0.000 1.057 2494 I HN 0.760 nan 8.210 nan 0.000 0.431 2495 E N 1.410 121.765 120.200 0.258 0.000 2.058 2495 E HA -0.283 4.067 4.350 0.001 0.000 0.194 2495 E C 1.418 178.080 176.600 0.103 0.000 0.997 2495 E CA 1.859 58.397 56.400 0.230 0.000 0.801 2495 E CB -0.814 28.995 29.700 0.183 0.000 0.746 2495 E HN 0.520 nan 8.360 nan 0.000 0.450 2496 D N -0.140 120.242 120.400 -0.032 0.000 2.310 2496 D HA -0.082 4.558 4.640 0.001 0.000 0.212 2496 D C 1.209 177.247 176.300 -0.437 0.000 0.965 2496 D CA 0.910 54.764 54.000 -0.244 0.000 0.879 2496 D CB 0.115 40.691 40.800 -0.373 0.000 0.921 2496 D HN 0.360 nan 8.370 nan 0.000 0.510 2497 H N -2.341 116.675 119.070 -0.090 0.000 2.893 2497 H HA 0.229 4.785 4.556 0.001 0.000 0.270 2497 H C 0.493 175.348 175.328 -0.789 0.000 1.095 2497 H CA 0.200 55.979 56.048 -0.449 0.000 1.186 2497 H CB 0.550 29.903 29.762 -0.682 0.000 1.562 2497 H HN 0.208 nan 8.280 nan 0.000 0.536 2498 F N -0.122 119.821 119.950 -0.012 0.000 2.815 2498 F HA 0.355 4.882 4.527 0.001 0.000 0.328 2498 F C 1.172 177.026 175.800 0.091 0.000 0.982 2498 F CA 0.420 58.405 58.000 -0.026 0.000 1.154 2498 F CB 0.899 39.770 39.000 -0.216 0.000 0.980 2498 F HN 0.075 nan 8.300 nan 0.000 0.603 2499 G N 2.794 111.756 108.800 0.269 0.000 3.129 2499 G HA2 -0.194 3.766 3.960 0.001 0.000 0.686 2499 G HA3 -0.194 3.766 3.960 0.001 0.000 0.686 2499 G C -0.532 174.504 174.900 0.226 0.000 0.989 2499 G CA -1.052 44.167 45.100 0.198 0.000 0.810 2499 G HN 0.012 nan 8.290 nan 0.000 0.539 2500 K N 2.318 122.822 120.400 0.173 0.000 2.441 2500 K HA 0.177 4.498 4.320 0.001 0.000 0.273 2500 K C 0.999 177.673 176.600 0.122 0.000 1.090 2500 K CA 1.770 58.140 56.287 0.138 0.000 1.158 2500 K CB -0.304 32.245 32.500 0.082 0.000 0.847 2500 K HN 1.371 nan 8.250 nan 0.000 0.483 2501 E N 0.750 121.026 120.200 0.127 0.000 5.283 2501 E HA 0.165 4.516 4.350 0.001 0.000 0.356 2501 E C -0.172 176.514 176.600 0.143 0.000 1.060 2501 E CA -0.004 56.459 56.400 0.105 0.000 0.937 2501 E CB -1.023 28.741 29.700 0.107 0.000 1.033 2501 E HN 0.432 nan 8.360 nan 0.000 0.636 2502 A N 2.339 125.206 122.820 0.078 0.000 3.870 2502 A HA -0.341 3.979 4.320 0.001 0.000 0.246 2502 A C 1.325 178.901 177.584 -0.013 0.000 0.669 2502 A CA 1.652 53.710 52.037 0.035 0.000 1.221 2502 A CB -1.487 17.585 19.000 0.120 0.000 1.199 2502 A HN 1.037 nan 8.150 nan 0.000 0.685 2503 L N 0.826 122.157 121.223 0.179 0.000 2.109 2503 L HA -0.116 4.225 4.340 0.001 0.000 0.207 2503 L C 2.685 179.635 176.870 0.132 0.000 1.086 2503 L CA 3.224 58.260 54.840 0.326 0.000 0.760 2503 L CB -1.377 40.943 42.059 0.434 0.000 0.910 2503 L HN 1.112 nan 8.230 nan 0.000 0.437 2504 C N -0.422 118.884 119.300 0.009 0.000 2.467 2504 C HA 0.368 4.828 4.460 0.001 0.000 0.279 2504 C C 1.668 176.573 174.990 -0.142 0.000 1.347 2504 C CA -0.305 58.638 59.018 -0.126 0.000 1.748 2504 C CB -1.598 26.097 27.740 -0.075 0.000 1.977 2504 C HN 0.493 nan 8.230 nan 0.000 0.501 2505 A N 1.440 124.206 122.820 -0.090 0.000 2.409 2505 A HA 0.525 4.846 4.320 0.001 0.000 0.267 2505 A C 1.582 179.094 177.584 -0.121 0.000 1.127 2505 A CA 0.455 52.434 52.037 -0.097 0.000 0.795 2505 A CB 0.051 19.008 19.000 -0.071 0.000 1.061 2505 A HN 0.728 nan 8.150 nan 0.000 0.502 2506 G N 1.913 110.650 108.800 -0.106 0.000 2.507 2506 G HA2 -0.353 3.608 3.960 0.001 0.000 0.221 2506 G HA3 -0.353 3.608 3.960 0.001 0.000 0.221 2506 G C 1.511 176.328 174.900 -0.139 0.000 1.119 2506 G CA 1.318 46.363 45.100 -0.091 0.000 0.751 2506 G HN 0.971 nan 8.290 nan 0.000 0.574 2507 K N 0.231 120.541 120.400 -0.149 0.000 2.091 2507 K HA -0.187 4.133 4.320 0.001 0.000 0.225 2507 K C 1.480 177.975 176.600 -0.175 0.000 1.028 2507 K CA 2.490 58.678 56.287 -0.165 0.000 0.965 2507 K CB -0.714 31.730 32.500 -0.095 0.000 0.786 2507 K HN 1.074 nan 8.250 nan 0.000 0.459 2508 G N -1.397 107.212 108.800 -0.318 0.000 2.384 2508 G HA2 -0.015 3.945 3.960 0.001 0.000 0.200 2508 G HA3 -0.015 3.945 3.960 0.001 0.000 0.200 2508 G C -1.164 173.261 174.900 -0.791 0.000 1.205 2508 G CA -0.218 44.587 45.100 -0.491 0.000 1.116 2508 G HN 0.251 nan 8.290 nan 0.000 0.547 2509 F N 0.271 120.243 119.950 0.037 0.000 2.573 2509 F HA 0.662 5.190 4.527 0.001 0.000 0.316 2509 F C 0.359 175.971 175.800 -0.313 0.000 1.148 2509 F CA -0.661 57.232 58.000 -0.177 0.000 0.940 2509 F CB 2.308 41.024 39.000 -0.473 0.000 1.214 2509 F HN 0.516 nan 8.300 nan 0.000 0.448 2510 R N 4.514 124.697 120.500 -0.527 0.000 2.235 2510 R HA 0.576 4.917 4.340 0.001 0.000 0.338 2510 R C -1.133 174.933 176.300 -0.390 0.000 1.087 2510 R CA -0.223 55.286 56.100 -0.986 0.000 0.948 2510 R CB 0.264 29.601 30.300 -1.606 0.000 1.099 2510 R HN 0.745 nan 8.270 nan 0.000 0.483 2511 L N 2.710 123.794 121.223 -0.231 0.000 2.387 2511 L HA 0.463 4.803 4.340 0.001 0.000 0.266 2511 L C 0.581 177.401 176.870 -0.082 0.000 1.059 2511 L CA -0.933 53.855 54.840 -0.086 0.000 0.801 2511 L CB 1.213 43.268 42.059 -0.007 0.000 1.223 2511 L HN 0.672 nan 8.230 nan 0.000 0.456 2512 A N 1.311 124.111 122.820 -0.033 0.000 2.534 2512 A HA -0.179 4.142 4.320 0.001 0.000 0.264 2512 A C 0.730 178.311 177.584 -0.006 0.000 0.960 2512 A CA 1.018 53.047 52.037 -0.013 0.000 1.000 2512 A CB -0.339 18.668 19.000 0.011 0.000 0.798 2512 A HN 1.020 nan 8.150 nan 0.000 0.413 2513 D N 0.086 120.486 120.400 -0.000 0.000 2.154 2513 D HA -0.238 4.402 4.640 0.001 0.000 0.165 2513 D C 1.076 177.370 176.300 -0.011 0.000 1.405 2513 D CA 2.934 56.944 54.000 0.016 0.000 1.308 2513 D CB -1.391 39.438 40.800 0.048 0.000 1.265 2513 D HN 2.248 nan 8.370 nan 0.000 0.498 2514 G N -0.088 108.673 108.800 -0.065 0.000 2.205 2514 G HA2 0.058 4.019 3.960 0.001 0.000 0.180 2514 G HA3 0.058 4.019 3.960 0.001 0.000 0.180 2514 G C 0.542 175.358 174.900 -0.139 0.000 1.004 2514 G CA 0.634 45.669 45.100 -0.109 0.000 0.670 2514 G HN 0.831 nan 8.290 nan 0.000 0.496 2515 G N -0.843 107.900 108.800 -0.095 0.000 2.572 2515 G HA2 0.426 4.386 3.960 0.001 0.000 0.261 2515 G HA3 0.426 4.386 3.960 0.001 0.000 0.261 2515 G C -0.475 174.331 174.900 -0.156 0.000 1.197 2515 G CA -0.584 44.498 45.100 -0.030 0.000 0.870 2515 G HN 0.271 nan 8.290 nan 0.000 0.548 2516 W N 0.857 122.134 121.300 -0.038 0.000 2.294 2516 W HA 0.427 5.088 4.660 0.001 0.000 0.314 2516 W C -0.304 176.162 176.519 -0.089 0.000 1.044 2516 W CA -0.702 56.612 57.345 -0.052 0.000 1.284 2516 W CB 1.561 30.980 29.460 -0.069 0.000 1.231 2516 W HN 0.268 nan 8.180 nan 0.000 0.419 2517 L N 6.078 127.327 121.223 0.043 0.000 2.325 2517 L HA 0.416 4.757 4.340 0.001 0.000 0.284 2517 L C -0.441 176.437 176.870 0.014 0.000 1.089 2517 L CA -0.054 54.738 54.840 -0.080 0.000 0.836 2517 L CB -0.215 41.715 42.059 -0.215 0.000 1.184 2517 L HN 0.306 nan 8.230 nan 0.000 0.444 2518 I N 8.208 128.758 120.570 -0.032 0.000 2.347 2518 I HA 0.293 4.463 4.170 0.001 0.000 0.283 2518 I C -1.769 174.304 176.117 -0.073 0.000 1.058 2518 I CA -1.844 59.430 61.300 -0.043 0.000 1.202 2518 I CB 0.706 38.681 38.000 -0.043 0.000 1.386 2518 I HN 0.510 nan 8.210 nan 0.000 0.475 2519 P HA -0.106 nan 4.420 nan 0.000 0.272 2519 P C -0.208 177.015 177.300 -0.129 0.000 1.210 2519 P CA 0.271 63.277 63.100 -0.158 0.000 0.789 2519 P CB 0.352 31.842 31.700 -0.351 0.000 0.849 2520 S N 0.009 115.625 115.700 -0.140 0.000 2.646 2520 S HA 0.181 4.652 4.470 0.001 0.000 0.276 2520 S C 0.869 175.446 174.600 -0.038 0.000 1.222 2520 S CA -0.643 57.519 58.200 -0.063 0.000 1.014 2520 S CB 0.720 63.899 63.200 -0.035 0.000 0.991 2520 S HN 0.409 nan 8.310 nan 0.000 0.533 2521 D N 1.670 122.091 120.400 0.035 0.000 2.191 2521 D HA -0.187 4.454 4.640 0.001 0.000 0.190 2521 D C 0.778 177.182 176.300 0.172 0.000 1.007 2521 D CA 1.921 55.987 54.000 0.110 0.000 0.865 2521 D CB -0.385 40.456 40.800 0.067 0.000 0.929 2521 D HN 0.882 nan 8.370 nan 0.000 0.447 2522 D N -0.272 120.178 120.400 0.082 0.000 2.690 2522 D HA 0.214 4.855 4.640 0.001 0.000 0.236 2522 D C 0.809 177.118 176.300 0.015 0.000 1.218 2522 D CA 0.023 54.081 54.000 0.097 0.000 0.829 2522 D CB -0.434 40.399 40.800 0.054 0.000 1.009 2522 D HN 0.143 nan 8.370 nan 0.000 0.482 2523 G N 1.287 109.943 108.800 -0.239 0.000 2.370 2523 G HA2 -0.259 3.702 3.960 0.001 0.000 0.293 2523 G HA3 -0.259 3.702 3.960 0.001 0.000 0.293 2523 G C -0.125 174.613 174.900 -0.271 0.000 0.992 2523 G CA 0.134 44.818 45.100 -0.694 0.000 1.247 2523 G HN 0.299 nan 8.290 nan 0.000 0.505 2524 K N -0.885 119.402 120.400 -0.189 0.000 2.439 2524 K HA 0.939 5.259 4.320 0.001 0.000 0.260 2524 K C -0.323 176.293 176.600 0.027 0.000 1.032 2524 K CA -0.272 55.997 56.287 -0.030 0.000 0.882 2524 K CB 2.304 34.803 32.500 -0.002 0.000 1.420 2524 K HN 1.218 nan 8.250 nan 0.000 0.455 2525 A N 0.077 122.997 122.820 0.166 0.000 2.456 2525 A HA 0.715 5.035 4.320 0.001 0.000 0.288 2525 A C -0.433 177.429 177.584 0.463 0.000 1.042 2525 A CA -0.010 52.174 52.037 0.245 0.000 0.738 2525 A CB 1.536 20.713 19.000 0.296 0.000 1.266 2525 A HN 0.674 nan 8.150 nan 0.000 0.407 2526 G N 0.905 109.913 108.800 0.347 0.000 3.085 2526 G HA2 0.512 4.473 3.960 0.001 0.000 0.264 2526 G HA3 0.512 4.473 3.960 0.001 0.000 0.264 2526 G C 0.486 175.355 174.900 -0.051 0.000 1.206 2526 G CA 0.034 45.274 45.100 0.234 0.000 0.809 2526 G HN 0.694 nan 8.290 nan 0.000 0.592 2527 K N 0.167 120.376 120.400 -0.319 0.000 1.965 2527 K HA -0.044 4.276 4.320 0.001 0.000 0.214 2527 K C 1.932 178.545 176.600 0.022 0.000 1.046 2527 K CA 1.518 57.593 56.287 -0.352 0.000 0.944 2527 K CB -0.339 32.034 32.500 -0.212 0.000 0.726 2527 K HN 0.481 nan 8.250 nan 0.000 0.441 2528 E N 1.309 121.564 120.200 0.091 0.000 2.331 2528 E HA -0.207 4.144 4.350 0.001 0.000 0.199 2528 E C 1.617 178.306 176.600 0.148 0.000 1.008 2528 E CA 1.076 57.595 56.400 0.197 0.000 0.843 2528 E CB 0.172 29.959 29.700 0.144 0.000 0.761 2528 E HN 0.401 nan 8.360 nan 0.000 0.507 2529 E N -0.653 119.604 120.200 0.095 0.000 2.042 2529 E HA -0.085 4.266 4.350 0.001 0.000 0.189 2529 E C 1.729 178.331 176.600 0.002 0.000 0.974 2529 E CA 0.700 57.114 56.400 0.024 0.000 0.806 2529 E CB -0.138 29.566 29.700 0.007 0.000 0.769 2529 E HN 0.247 nan 8.360 nan 0.000 0.451 2530 F N 0.410 120.368 119.950 0.013 0.000 2.234 2530 F HA -0.189 4.338 4.527 0.001 0.000 0.299 2530 F C 2.306 178.185 175.800 0.133 0.000 1.087 2530 F CA 0.950 58.987 58.000 0.061 0.000 1.340 2530 F CB -0.258 38.778 39.000 0.060 0.000 1.031 2530 F HN 0.118 nan 8.300 nan 0.000 0.500 2531 Y N 1.592 122.001 120.300 0.182 0.000 2.030 2531 Y HA -0.268 4.282 4.550 0.001 0.000 0.274 2531 Y C 2.480 178.444 175.900 0.107 0.000 1.153 2531 Y CA 1.603 59.795 58.100 0.153 0.000 1.115 2531 Y CB -0.842 37.686 38.460 0.114 0.000 0.969 2531 Y HN -0.148 nan 8.280 nan 0.000 0.488 2532 R N 0.561 120.840 120.500 -0.368 0.000 2.139 2532 R HA -0.151 4.189 4.340 0.001 0.000 0.243 2532 R C 2.386 178.580 176.300 -0.177 0.000 1.145 2532 R CA 1.220 57.046 56.100 -0.457 0.000 0.976 2532 R CB -1.254 28.874 30.300 -0.286 0.000 0.866 2532 R HN 0.538 nan 8.270 nan 0.000 0.449 2533 A N 0.643 123.429 122.820 -0.057 0.000 2.067 2533 A HA -0.051 4.270 4.320 0.001 0.000 0.219 2533 A C 2.152 179.765 177.584 0.048 0.000 1.158 2533 A CA 0.653 52.690 52.037 -0.001 0.000 0.661 2533 A CB -0.274 18.700 19.000 -0.045 0.000 0.801 2533 A HN 0.224 nan 8.150 nan 0.000 0.452 2534 L N -0.980 120.298 121.223 0.092 0.000 2.249 2534 L HA -0.096 4.245 4.340 0.001 0.000 0.207 2534 L C 2.119 178.988 176.870 -0.002 0.000 1.090 2534 L CA 0.966 55.864 54.840 0.097 0.000 0.802 2534 L CB -0.236 41.955 42.059 0.219 0.000 0.947 2534 L HN 0.501 nan 8.230 nan 0.000 0.453 2535 C N -0.352 118.929 119.300 -0.031 0.000 2.435 2535 C HA -0.112 4.348 4.460 0.001 0.000 0.279 2535 C C 2.179 177.138 174.990 -0.053 0.000 1.321 2535 C CA 0.625 59.598 59.018 -0.074 0.000 1.752 2535 C CB -0.792 26.856 27.740 -0.153 0.000 1.959 2535 C HN 0.539 nan 8.230 nan 0.000 0.500 2536 D N 0.249 120.634 120.400 -0.024 0.000 2.363 2536 D HA -0.019 4.622 4.640 0.001 0.000 0.220 2536 D C 0.767 177.104 176.300 0.061 0.000 0.994 2536 D CA 0.485 54.508 54.000 0.037 0.000 0.890 2536 D CB -0.053 40.804 40.800 0.096 0.000 0.906 2536 D HN 0.307 nan 8.370 nan 0.000 0.530 2537 T N 1.502 116.067 114.554 0.017 0.000 2.899 2537 T HA 0.302 4.652 4.350 0.001 0.000 0.295 2537 T C -2.454 172.247 174.700 0.002 0.000 1.033 2537 T CA -1.169 60.937 62.100 0.011 0.000 1.084 2537 T CB 1.538 70.403 68.868 -0.005 0.000 0.979 2537 T HN 0.006 nan 8.240 nan 0.000 0.532 2538 P HA 0.287 nan 4.420 nan 0.000 0.274 2538 P C 0.967 178.281 177.300 0.023 0.000 1.231 2538 P CA 0.198 63.316 63.100 0.031 0.000 0.790 2538 P CB 0.398 32.124 31.700 0.044 0.000 0.951 2539 G N 0.152 108.975 108.800 0.038 0.000 2.322 2539 G HA2 -0.254 3.706 3.960 0.001 0.000 0.264 2539 G HA3 -0.254 3.706 3.960 0.001 0.000 0.264 2539 G C 0.229 175.157 174.900 0.048 0.000 0.992 2539 G CA 0.271 45.408 45.100 0.062 0.000 0.624 2539 G HN 0.547 nan 8.290 nan 0.000 0.543 2540 V N 1.382 121.243 119.914 -0.088 0.000 2.686 2540 V HA 0.515 4.635 4.120 0.001 0.000 0.295 2540 V C 0.031 176.046 176.094 -0.132 0.000 1.057 2540 V CA 0.003 62.106 62.300 -0.328 0.000 1.012 2540 V CB 1.837 33.348 31.823 -0.519 0.000 1.006 2540 V HN 0.354 nan 8.190 nan 0.000 0.477 2541 D N 5.122 125.477 120.400 -0.076 0.000 2.464 2541 D HA 0.350 4.991 4.640 0.001 0.000 0.243 2541 D C -1.852 174.437 176.300 -0.018 0.000 1.104 2541 D CA -2.072 51.929 54.000 0.001 0.000 0.883 2541 D CB 2.099 42.941 40.800 0.071 0.000 1.050 2541 D HN 0.139 nan 8.370 nan 0.000 0.524 2542 P HA -0.210 nan 4.420 nan 0.000 0.218 2542 P C 1.202 178.525 177.300 0.038 0.000 1.152 2542 P CA 1.062 64.170 63.100 0.013 0.000 0.857 2542 P CB 0.333 32.032 31.700 -0.002 0.000 0.787 2543 K N -0.894 119.517 120.400 0.018 0.000 2.442 2543 K HA -0.036 4.285 4.320 0.001 0.000 0.199 2543 K C 1.533 178.140 176.600 0.012 0.000 1.044 2543 K CA 0.916 57.214 56.287 0.018 0.000 0.941 2543 K CB -0.490 32.015 32.500 0.008 0.000 0.759 2543 K HN 0.332 nan 8.250 nan 0.000 0.472 2544 L N 0.686 121.915 121.223 0.009 0.000 2.640 2544 L HA 0.268 4.609 4.340 0.001 0.000 0.230 2544 L C 0.694 177.476 176.870 -0.146 0.000 1.123 2544 L CA -0.119 54.704 54.840 -0.028 0.000 0.900 2544 L CB 0.030 42.108 42.059 0.030 0.000 1.146 2544 L HN -0.011 nan 8.230 nan 0.000 0.484 2545 I N -2.649 117.836 120.570 -0.142 0.000 2.500 2545 I HA 0.447 4.618 4.170 0.001 0.000 0.286 2545 I C 0.406 176.472 176.117 -0.084 0.000 1.063 2545 I CA -0.647 60.472 61.300 -0.302 0.000 1.062 2545 I CB 1.715 39.416 38.000 -0.498 0.000 1.223 2545 I HN -0.045 nan 8.210 nan 0.000 0.435 2546 S N 3.465 119.149 115.700 -0.027 0.000 2.598 2546 S HA 0.079 4.549 4.470 0.001 0.000 0.256 2546 S C 1.205 175.670 174.600 -0.225 0.000 1.350 2546 S CA 0.305 58.490 58.200 -0.024 0.000 0.984 2546 S CB 1.436 64.675 63.200 0.066 0.000 0.930 2546 S HN 0.811 nan 8.310 nan 0.000 0.577 2547 S N -0.263 115.246 115.700 -0.318 0.000 2.377 2547 S HA -0.081 4.389 4.470 0.001 0.000 0.223 2547 S C 1.789 176.268 174.600 -0.202 0.000 1.030 2547 S CA 1.009 58.880 58.200 -0.547 0.000 0.970 2547 S CB -1.000 62.072 63.200 -0.212 0.000 0.830 2547 S HN 0.592 nan 8.310 nan 0.000 0.473 2548 V N 0.677 120.559 119.914 -0.054 0.000 2.282 2548 V HA -0.197 3.924 4.120 0.001 0.000 0.249 2548 V C 1.980 178.092 176.094 0.030 0.000 1.057 2548 V CA 2.100 64.399 62.300 -0.001 0.000 1.032 2548 V CB -1.327 30.523 31.823 0.045 0.000 0.645 2548 V HN 0.726 nan 8.190 nan 0.000 0.447 2549 W N 0.875 122.131 121.300 -0.073 0.000 2.292 2549 W HA -0.284 4.377 4.660 0.001 0.000 0.330 2549 W C 2.460 178.982 176.519 0.006 0.000 1.264 2549 W CA 2.936 60.286 57.345 0.008 0.000 1.235 2549 W CB -0.671 28.857 29.460 0.114 0.000 1.164 2549 W HN 0.040 nan 8.180 nan 0.000 0.461 2550 V N 0.608 120.732 119.914 0.350 0.000 2.594 2550 V HA -0.323 3.798 4.120 0.001 0.000 0.253 2550 V C 2.300 178.391 176.094 -0.006 0.000 1.069 2550 V CA 2.003 64.414 62.300 0.184 0.000 1.082 2550 V CB -1.230 30.786 31.823 0.322 0.000 0.680 2550 V HN 0.237 nan 8.190 nan 0.000 0.469 2551 S N 0.175 115.834 115.700 -0.069 0.000 2.351 2551 S HA -0.277 4.194 4.470 0.001 0.000 0.220 2551 S C 1.927 176.393 174.600 -0.224 0.000 1.035 2551 S CA 2.148 60.283 58.200 -0.110 0.000 1.031 2551 S CB -0.650 62.486 63.200 -0.107 0.000 0.928 2551 S HN 0.802 nan 8.310 nan 0.000 0.433 2552 N N 0.494 118.976 118.700 -0.362 0.000 2.013 2552 N HA -0.219 4.522 4.740 0.001 0.000 0.195 2552 N C 1.612 176.696 175.510 -0.710 0.000 1.051 2552 N CA 1.349 54.040 53.050 -0.599 0.000 0.851 2552 N CB -0.288 37.831 38.487 -0.613 0.000 1.044 2552 N HN 0.405 nan 8.380 nan 0.000 0.422 2553 H N -1.095 117.656 119.070 -0.532 0.000 2.518 2553 H HA -0.145 4.412 4.556 0.001 0.000 0.292 2553 H C 1.397 176.507 175.328 -0.362 0.000 1.068 2553 H CA 0.942 56.678 56.048 -0.520 0.000 1.275 2553 H CB -0.350 28.924 29.762 -0.813 0.000 1.375 2553 H HN 0.517 nan 8.280 nan 0.000 0.563 2554 Y N 1.584 121.688 120.300 -0.327 0.000 2.337 2554 Y HA -0.078 4.473 4.550 0.001 0.000 0.293 2554 Y C 2.767 178.446 175.900 -0.369 0.000 1.123 2554 Y CA 0.985 58.918 58.100 -0.278 0.000 1.201 2554 Y CB -0.032 38.307 38.460 -0.201 0.000 1.011 2554 Y HN -0.052 nan 8.280 nan 0.000 0.545 2555 R N -0.329 119.852 120.500 -0.533 0.000 2.094 2555 R HA -0.234 4.106 4.340 0.001 0.000 0.239 2555 R C 1.901 177.805 176.300 -0.661 0.000 1.137 2555 R CA 2.649 58.267 56.100 -0.803 0.000 0.943 2555 R CB -0.842 28.693 30.300 -1.276 0.000 0.850 2555 R HN 0.525 nan 8.270 nan 0.000 0.433 2556 W N 0.559 121.730 121.300 -0.214 0.000 2.408 2556 W HA 0.050 4.710 4.660 0.001 0.000 0.311 2556 W C 2.143 178.569 176.519 -0.155 0.000 1.190 2556 W CA 0.004 57.302 57.345 -0.078 0.000 1.321 2556 W CB -0.322 29.067 29.460 -0.118 0.000 1.143 2556 W HN 0.014 nan 8.180 nan 0.000 0.501 2557 I N 0.546 121.067 120.570 -0.081 0.000 2.229 2557 I HA -0.367 3.803 4.170 0.001 0.000 0.250 2557 I C 2.013 177.977 176.117 -0.255 0.000 1.096 2557 I CA 1.494 62.679 61.300 -0.191 0.000 1.358 2557 I CB -1.042 36.807 38.000 -0.252 0.000 1.047 2557 I HN -0.079 nan 8.210 nan 0.000 0.422 2558 V N -0.439 119.232 119.914 -0.405 0.000 2.255 2558 V HA -0.245 3.875 4.120 0.001 0.000 0.243 2558 V C 2.098 178.048 176.094 -0.240 0.000 1.038 2558 V CA 1.656 63.672 62.300 -0.473 0.000 1.008 2558 V CB -0.971 30.372 31.823 -0.799 0.000 0.645 2558 V HN 0.564 nan 8.190 nan 0.000 0.449 2559 W N 1.752 122.849 121.300 -0.338 0.000 2.290 2559 W HA -0.282 4.378 4.660 0.001 0.000 0.318 2559 W C 2.582 179.041 176.519 -0.101 0.000 1.248 2559 W CA 2.569 59.806 57.345 -0.181 0.000 1.263 2559 W CB -0.418 29.010 29.460 -0.053 0.000 1.147 2559 W HN 0.201 nan 8.180 nan 0.000 0.494 2560 K N -0.132 120.212 120.400 -0.092 0.000 1.973 2560 K HA -0.212 4.109 4.320 0.001 0.000 0.212 2560 K C 2.228 178.721 176.600 -0.177 0.000 1.047 2560 K CA 2.222 58.380 56.287 -0.216 0.000 0.937 2560 K CB -0.906 31.502 32.500 -0.153 0.000 0.721 2560 K HN 0.248 nan 8.250 nan 0.000 0.440 2561 L N 1.018 122.143 121.223 -0.164 0.000 2.081 2561 L HA -0.230 4.110 4.340 0.001 0.000 0.212 2561 L C 2.739 179.554 176.870 -0.092 0.000 1.080 2561 L CA 1.395 56.147 54.840 -0.148 0.000 0.754 2561 L CB -0.688 41.281 42.059 -0.151 0.000 0.893 2561 L HN 0.350 nan 8.230 nan 0.000 0.433 2562 A N 0.239 122.988 122.820 -0.117 0.000 1.851 2562 A HA -0.242 4.079 4.320 0.001 0.000 0.216 2562 A C 2.561 180.167 177.584 0.036 0.000 1.195 2562 A CA 2.220 54.216 52.037 -0.067 0.000 0.622 2562 A CB -1.041 17.913 19.000 -0.077 0.000 0.831 2562 A HN 0.401 nan 8.150 nan 0.000 0.444 2563 A N -0.453 122.361 122.820 -0.010 0.000 1.837 2563 A HA -0.244 4.077 4.320 0.001 0.000 0.216 2563 A C 2.234 179.895 177.584 0.129 0.000 1.210 2563 A CA 2.379 54.448 52.037 0.053 0.000 0.632 2563 A CB -0.916 18.019 19.000 -0.110 0.000 0.843 2563 A HN 0.563 nan 8.150 nan 0.000 0.448 2564 M N -1.154 118.508 119.600 0.103 0.000 2.164 2564 M HA -0.325 4.155 4.480 0.001 0.000 0.251 2564 M C 2.034 178.562 176.300 0.380 0.000 1.087 2564 M CA 2.358 57.810 55.300 0.253 0.000 1.071 2564 M CB -0.723 31.836 32.600 -0.068 0.000 1.347 2564 M HN 0.581 nan 8.290 nan 0.000 0.399 2565 E N -0.764 119.578 120.200 0.238 0.000 2.086 2565 E HA -0.105 4.245 4.350 0.001 0.000 0.190 2565 E C 1.744 178.471 176.600 0.212 0.000 0.975 2565 E CA 0.707 57.253 56.400 0.242 0.000 0.813 2565 E CB -0.023 29.794 29.700 0.194 0.000 0.768 2565 E HN 0.429 nan 8.360 nan 0.000 0.457 2566 F N 1.160 121.139 119.950 0.049 0.000 2.259 2566 F HA -0.006 4.522 4.527 0.001 0.000 0.298 2566 F C 1.941 177.700 175.800 -0.069 0.000 1.088 2566 F CA 1.209 59.212 58.000 0.006 0.000 1.358 2566 F CB -0.101 38.901 39.000 0.003 0.000 1.040 2566 F HN -0.070 nan 8.300 nan 0.000 0.505 2567 A N -0.931 121.783 122.820 -0.177 0.000 1.903 2567 A HA 0.046 4.366 4.320 0.001 0.000 0.213 2567 A C 0.756 177.881 177.584 -0.765 0.000 1.185 2567 A CA 0.806 52.534 52.037 -0.515 0.000 0.628 2567 A CB -0.772 17.987 19.000 -0.402 0.000 0.830 2567 A HN 0.287 nan 8.150 nan 0.000 0.446 2568 F N -1.125 118.734 119.950 -0.152 0.000 2.627 2568 F HA 0.341 4.868 4.527 0.001 0.000 0.329 2568 F C -2.018 173.636 175.800 -0.244 0.000 1.378 2568 F CA -1.814 56.045 58.000 -0.235 0.000 1.134 2568 F CB 0.974 39.813 39.000 -0.267 0.000 1.229 2568 F HN 0.074 nan 8.300 nan 0.000 0.537 2569 P HA -0.238 nan 4.420 nan 0.000 0.224 2569 P C 1.460 178.494 177.300 -0.443 0.000 1.138 2569 P CA 1.530 64.542 63.100 -0.146 0.000 0.780 2569 P CB 0.224 31.877 31.700 -0.078 0.000 0.755 2570 K N -0.903 119.160 120.400 -0.562 0.000 2.240 2570 K HA -0.014 4.306 4.320 0.001 0.000 0.202 2570 K C 1.816 178.159 176.600 -0.429 0.000 1.053 2570 K CA 0.354 56.165 56.287 -0.793 0.000 0.973 2570 K CB 0.190 32.245 32.500 -0.742 0.000 0.924 2570 K HN -0.118 nan 8.250 nan 0.000 0.477 2571 E N 0.250 120.198 120.200 -0.420 0.000 2.028 2571 E HA -0.143 4.208 4.350 0.001 0.000 0.191 2571 E C 1.253 177.511 176.600 -0.571 0.000 0.988 2571 E CA 1.269 57.303 56.400 -0.609 0.000 0.799 2571 E CB -0.045 29.036 29.700 -1.031 0.000 0.755 2571 E HN 0.309 nan 8.360 nan 0.000 0.447 2572 F N -0.013 119.912 119.950 -0.042 0.000 2.654 2572 F HA 0.469 4.996 4.527 0.001 0.000 0.303 2572 F C 1.714 177.516 175.800 0.003 0.000 1.099 2572 F CA -0.329 57.662 58.000 -0.015 0.000 1.270 2572 F CB -0.553 38.453 39.000 0.009 0.000 1.024 2572 F HN -0.072 nan 8.300 nan 0.000 0.548 2573 A N 1.561 124.418 122.820 0.061 0.000 1.818 2573 A HA -0.416 3.904 4.320 0.001 0.000 0.310 2573 A C 1.397 179.070 177.584 0.149 0.000 3.572 2573 A CA 2.826 54.905 52.037 0.069 0.000 0.984 2573 A CB -1.246 17.788 19.000 0.056 0.000 0.719 2573 A HN 0.482 nan 8.150 nan 0.000 0.500 2574 N N -1.709 117.078 118.700 0.145 0.000 2.651 2574 N HA 0.371 5.112 4.740 0.001 0.000 0.277 2574 N C 0.129 175.714 175.510 0.125 0.000 1.787 2574 N CA -0.065 53.074 53.050 0.147 0.000 0.818 2574 N CB 0.348 38.922 38.487 0.146 0.000 1.316 2574 N HN 0.465 nan 8.380 nan 0.000 0.503 2575 R N -0.907 119.667 120.500 0.125 0.000 2.521 2575 R HA 0.341 4.681 4.340 0.001 0.000 0.289 2575 R C 0.629 176.962 176.300 0.055 0.000 0.936 2575 R CA 0.046 56.201 56.100 0.091 0.000 1.089 2575 R CB 0.064 30.429 30.300 0.108 0.000 1.348 2575 R HN 0.280 nan 8.270 nan 0.000 0.536 2576 C N 0.473 119.806 119.300 0.055 0.000 2.587 2576 C HA 0.239 4.699 4.460 0.001 0.000 0.287 2576 C C 0.838 175.829 174.990 0.000 0.000 1.374 2576 C CA -0.348 58.659 59.018 -0.017 0.000 1.770 2576 C CB -0.291 27.401 27.740 -0.080 0.000 2.137 2576 C HN 0.249 nan 8.230 nan 0.000 0.550 2577 L N 3.681 124.937 121.223 0.054 0.000 2.369 2577 L HA 0.371 4.711 4.340 0.001 0.000 0.279 2577 L C -0.325 176.698 176.870 0.254 0.000 1.108 2577 L CA 0.841 55.755 54.840 0.123 0.000 0.852 2577 L CB -0.649 41.459 42.059 0.081 0.000 1.169 2577 L HN 0.768 nan 8.230 nan 0.000 0.452 2578 N N 2.525 121.395 118.700 0.283 0.000 3.836 2578 N HA 0.314 5.054 4.740 0.001 0.000 0.229 2578 N C -2.886 172.292 175.510 -0.554 0.000 1.375 2578 N CA -0.997 51.982 53.050 -0.118 0.000 0.838 2578 N CB 0.667 38.995 38.487 -0.266 0.000 1.447 2578 N HN 0.046 nan 8.380 nan 0.000 0.458 2579 P HA -0.047 nan 4.420 nan 0.000 0.216 2579 P C 1.000 178.273 177.300 -0.044 0.000 1.153 2579 P CA 1.298 64.204 63.100 -0.324 0.000 0.844 2579 P CB 0.212 31.811 31.700 -0.168 0.000 0.787 2580 E N -0.195 119.937 120.200 -0.113 0.000 2.147 2580 E HA -0.237 4.113 4.350 0.001 0.000 0.199 2580 E C 2.047 178.633 176.600 -0.024 0.000 1.005 2580 E CA 1.535 57.908 56.400 -0.044 0.000 0.810 2580 E CB -0.305 29.351 29.700 -0.074 0.000 0.736 2580 E HN -0.042 nan 8.360 nan 0.000 0.460 2581 R N -0.523 119.939 120.500 -0.063 0.000 2.057 2581 R HA 0.070 4.410 4.340 0.001 0.000 0.224 2581 R C 2.434 178.702 176.300 -0.055 0.000 1.136 2581 R CA 1.115 57.180 56.100 -0.059 0.000 0.968 2581 R CB -0.924 29.329 30.300 -0.079 0.000 0.863 2581 R HN 0.173 nan 8.270 nan 0.000 0.433 2582 V N 2.107 121.958 119.914 -0.106 0.000 2.794 2582 V HA -0.181 3.939 4.120 0.001 0.000 0.260 2582 V C 2.217 178.293 176.094 -0.029 0.000 1.103 2582 V CA 1.267 63.463 62.300 -0.175 0.000 1.125 2582 V CB -0.436 31.124 31.823 -0.438 0.000 0.702 2582 V HN 0.248 nan 8.190 nan 0.000 0.494 2583 L N -1.506 119.791 121.223 0.124 0.000 2.500 2583 L HA 0.214 4.554 4.340 0.001 0.000 0.219 2583 L C 2.009 178.967 176.870 0.147 0.000 1.057 2583 L CA 0.987 55.971 54.840 0.240 0.000 0.854 2583 L CB 0.106 42.357 42.059 0.321 0.000 1.078 2583 L HN 0.272 nan 8.230 nan 0.000 0.480 2584 L N -0.395 120.879 121.223 0.086 0.000 2.141 2584 L HA -0.216 4.124 4.340 0.001 0.000 0.209 2584 L C 2.378 179.304 176.870 0.093 0.000 1.094 2584 L CA 1.248 56.130 54.840 0.070 0.000 0.763 2584 L CB 0.106 42.177 42.059 0.020 0.000 0.908 2584 L HN 0.409 nan 8.230 nan 0.000 0.437 2585 Q N -0.975 118.865 119.800 0.066 0.000 2.259 2585 Q HA -0.073 4.267 4.340 0.001 0.000 0.201 2585 Q C 2.278 178.376 176.000 0.163 0.000 0.938 2585 Q CA 0.464 56.318 55.803 0.083 0.000 0.872 2585 Q CB 0.244 28.965 28.738 -0.029 0.000 0.971 2585 Q HN 0.452 nan 8.270 nan 0.000 0.494 2586 L N 1.031 122.336 121.223 0.136 0.000 2.127 2586 L HA -0.238 4.103 4.340 0.001 0.000 0.211 2586 L C 2.310 179.362 176.870 0.303 0.000 1.089 2586 L CA 1.105 56.053 54.840 0.180 0.000 0.757 2586 L CB -0.082 42.113 42.059 0.226 0.000 0.899 2586 L HN 0.069 nan 8.230 nan 0.000 0.434 2587 K N -0.884 119.690 120.400 0.291 0.000 2.155 2587 K HA -0.224 4.097 4.320 0.001 0.000 0.203 2587 K C 1.951 178.798 176.600 0.412 0.000 1.052 2587 K CA 1.248 57.732 56.287 0.328 0.000 0.948 2587 K CB -0.476 32.162 32.500 0.229 0.000 0.728 2587 K HN 0.220 nan 8.250 nan 0.000 0.448 2588 Y N 1.378 121.816 120.300 0.229 0.000 2.036 2588 Y HA -0.228 4.322 4.550 0.001 0.000 0.273 2588 Y C 1.951 178.030 175.900 0.298 0.000 1.135 2588 Y CA 2.236 60.487 58.100 0.253 0.000 1.106 2588 Y CB -0.432 38.141 38.460 0.188 0.000 0.976 2588 Y HN -0.014 nan 8.280 nan 0.000 0.483 2589 R N -1.270 119.369 120.500 0.232 0.000 2.153 2589 R HA -0.300 4.041 4.340 0.001 0.000 0.252 2589 R C 2.229 178.727 176.300 0.330 0.000 1.158 2589 R CA 2.120 58.294 56.100 0.124 0.000 0.975 2589 R CB -0.922 29.164 30.300 -0.358 0.000 0.871 2589 R HN 0.592 nan 8.270 nan 0.000 0.450 2590 Y N 1.649 122.147 120.300 0.330 0.000 2.184 2590 Y HA -0.191 4.359 4.550 0.001 0.000 0.290 2590 Y C 1.877 177.822 175.900 0.074 0.000 1.129 2590 Y CA 1.530 59.806 58.100 0.295 0.000 1.144 2590 Y CB -0.096 38.507 38.460 0.239 0.000 0.995 2590 Y HN 0.013 nan 8.280 nan 0.000 0.513 2591 D N -0.229 120.204 120.400 0.056 0.000 2.087 2591 D HA -0.206 4.434 4.640 0.001 0.000 0.192 2591 D C 2.402 178.436 176.300 -0.444 0.000 0.993 2591 D CA 1.889 55.737 54.000 -0.254 0.000 0.828 2591 D CB -0.565 40.094 40.800 -0.235 0.000 0.968 2591 D HN 0.299 nan 8.370 nan 0.000 0.448 2592 V N 1.298 121.041 119.914 -0.285 0.000 2.217 2592 V HA -0.310 3.811 4.120 0.001 0.000 0.248 2592 V C 2.561 178.573 176.094 -0.137 0.000 1.050 2592 V CA 2.508 64.711 62.300 -0.161 0.000 1.007 2592 V CB -0.584 31.155 31.823 -0.141 0.000 0.639 2592 V HN 0.268 nan 8.190 nan 0.000 0.452 2593 E N -0.917 119.267 120.200 -0.028 0.000 2.107 2593 E HA -0.168 4.182 4.350 0.001 0.000 0.191 2593 E C 2.080 178.627 176.600 -0.088 0.000 0.982 2593 E CA 1.322 57.731 56.400 0.016 0.000 0.809 2593 E CB 0.012 29.901 29.700 0.315 0.000 0.756 2593 E HN 0.493 nan 8.360 nan 0.000 0.459 2594 I N 1.428 121.830 120.570 -0.280 0.000 2.368 2594 I HA -0.114 4.057 4.170 0.001 0.000 0.238 2594 I C 1.681 177.576 176.117 -0.370 0.000 1.076 2594 I CA 1.022 62.063 61.300 -0.431 0.000 1.397 2594 I CB -1.000 36.431 38.000 -0.949 0.000 1.141 2594 I HN 0.126 nan 8.210 nan 0.000 0.430 2595 D N 0.665 120.795 120.400 -0.449 0.000 2.234 2595 D HA -0.065 4.576 4.640 0.001 0.000 0.205 2595 D C 1.566 177.738 176.300 -0.214 0.000 0.962 2595 D CA 0.770 54.600 54.000 -0.283 0.000 0.855 2595 D CB -0.016 40.628 40.800 -0.260 0.000 0.951 2595 D HN 0.324 nan 8.370 nan 0.000 0.500 2596 N N -0.359 118.199 118.700 -0.236 0.000 2.220 2596 N HA 0.001 4.741 4.740 0.001 0.000 0.195 2596 N C 0.246 175.701 175.510 -0.091 0.000 1.123 2596 N CA 0.180 53.145 53.050 -0.141 0.000 0.874 2596 N CB 1.025 39.435 38.487 -0.127 0.000 0.995 2596 N HN -0.165 nan 8.380 nan 0.000 0.498 2597 S N -0.382 115.250 115.700 -0.113 0.000 2.981 2597 S HA -0.176 4.294 4.470 0.001 0.000 0.274 2597 S C 0.293 174.842 174.600 -0.084 0.000 1.297 2597 S CA 0.695 58.844 58.200 -0.085 0.000 1.266 2597 S CB -1.506 61.656 63.200 -0.064 0.000 1.542 2597 S HN 0.420 nan 8.310 nan 0.000 0.674 2598 S N 1.895 117.539 115.700 -0.094 0.000 2.554 2598 S HA 0.237 4.708 4.470 0.001 0.000 0.290 2598 S C 0.456 174.942 174.600 -0.189 0.000 1.309 2598 S CA 0.190 58.312 58.200 -0.129 0.000 1.047 2598 S CB 0.353 63.467 63.200 -0.143 0.000 0.828 2598 S HN 0.438 nan 8.310 nan 0.000 0.509 2599 R N 0.817 121.191 120.500 -0.211 0.000 2.575 2599 R HA 0.411 4.751 4.340 0.001 0.000 0.293 2599 R C -0.019 176.081 176.300 -0.334 0.000 0.983 2599 R CA -0.466 55.494 56.100 -0.233 0.000 0.887 2599 R CB 1.897 32.111 30.300 -0.144 0.000 1.184 2599 R HN 0.709 nan 8.270 nan 0.000 0.445 2600 S N 1.506 116.974 115.700 -0.386 0.000 2.572 2600 S HA 0.019 4.489 4.470 0.001 0.000 0.262 2600 S C 1.441 175.819 174.600 -0.371 0.000 1.375 2600 S CA 0.534 58.488 58.200 -0.410 0.000 0.996 2600 S CB 0.935 64.075 63.200 -0.101 0.000 0.892 2600 S HN 0.699 nan 8.310 nan 0.000 0.562 2601 A N 2.873 125.408 122.820 -0.476 0.000 1.841 2601 A HA 0.032 4.352 4.320 0.001 0.000 0.214 2601 A C 2.229 179.542 177.584 -0.452 0.000 1.195 2601 A CA 1.521 53.065 52.037 -0.822 0.000 0.611 2601 A CB -1.134 17.263 19.000 -1.005 0.000 0.835 2601 A HN 0.849 nan 8.150 nan 0.000 0.443 2602 L N -0.793 120.283 121.223 -0.244 0.000 2.349 2602 L HA -0.196 4.144 4.340 0.001 0.000 0.220 2602 L C 2.434 179.219 176.870 -0.142 0.000 1.130 2602 L CA 1.456 56.227 54.840 -0.116 0.000 0.791 2602 L CB -0.329 41.722 42.059 -0.014 0.000 0.918 2602 L HN 0.406 nan 8.230 nan 0.000 0.444 2603 K N 0.804 121.080 120.400 -0.206 0.000 1.974 2603 K HA -0.125 4.196 4.320 0.001 0.000 0.211 2603 K C 1.997 178.506 176.600 -0.152 0.000 1.039 2603 K CA 1.465 57.601 56.287 -0.251 0.000 0.947 2603 K CB -0.123 32.219 32.500 -0.262 0.000 0.735 2603 K HN -0.086 nan 8.250 nan 0.000 0.441 2604 K N 0.325 120.649 120.400 -0.127 0.000 2.059 2604 K HA -0.172 4.148 4.320 0.001 0.000 0.212 2604 K C 2.014 178.611 176.600 -0.004 0.000 1.050 2604 K CA 1.659 57.921 56.287 -0.042 0.000 0.927 2604 K CB -0.341 32.172 32.500 0.022 0.000 0.714 2604 K HN 0.140 nan 8.250 nan 0.000 0.447 2605 I N 1.298 121.868 120.570 -0.000 0.000 2.043 2605 I HA -0.340 3.830 4.170 0.001 0.000 0.231 2605 I C 2.324 178.444 176.117 0.005 0.000 1.024 2605 I CA 1.476 62.800 61.300 0.041 0.000 1.309 2605 I CB -1.183 36.835 38.000 0.030 0.000 1.030 2605 I HN 0.243 nan 8.210 nan 0.000 0.389 2606 L N 0.382 121.591 121.223 -0.024 0.000 2.189 2606 L HA -0.218 4.122 4.340 0.001 0.000 0.214 2606 L C 2.265 179.118 176.870 -0.028 0.000 1.097 2606 L CA 1.642 56.468 54.840 -0.024 0.000 0.764 2606 L CB -1.127 40.908 42.059 -0.040 0.000 0.900 2606 L HN 0.462 nan 8.230 nan 0.000 0.436 2607 E N -0.187 119.987 120.200 -0.043 0.000 2.502 2607 E HA -0.144 4.207 4.350 0.001 0.000 0.194 2607 E C 0.998 177.589 176.600 -0.016 0.000 1.062 2607 E CA -0.122 56.256 56.400 -0.036 0.000 0.867 2607 E CB 0.113 29.780 29.700 -0.055 0.000 0.888 2607 E HN 0.175 nan 8.360 nan 0.000 0.510 2608 R N 0.046 120.543 120.500 -0.005 0.000 3.946 2608 R HA -0.194 4.146 4.340 0.001 0.000 0.329 2608 R C -0.180 176.123 176.300 0.005 0.000 1.209 2608 R CA 1.138 57.240 56.100 0.003 0.000 0.909 2608 R CB -1.365 28.935 30.300 0.001 0.000 1.355 2608 R HN 0.198 nan 8.270 nan 0.000 0.539 2609 D N -0.404 119.999 120.400 0.005 0.000 2.340 2609 D HA 0.040 4.680 4.640 0.001 0.000 0.217 2609 D C -0.004 176.309 176.300 0.022 0.000 1.081 2609 D CA 0.788 54.791 54.000 0.006 0.000 0.842 2609 D CB 0.306 41.104 40.800 -0.003 0.000 0.934 2609 D HN 0.397 nan 8.370 nan 0.000 0.511 2610 D N -0.968 119.455 120.400 0.038 0.000 4.482 2610 D HA -0.121 4.519 4.640 0.001 0.000 0.178 2610 D C 0.724 177.074 176.300 0.084 0.000 1.148 2610 D CA -0.025 54.013 54.000 0.062 0.000 0.765 2610 D CB -0.919 39.953 40.800 0.119 0.000 1.544 2610 D HN -0.181 nan 8.370 nan 0.000 0.738 2611 T N -0.732 113.851 114.554 0.049 0.000 3.423 2611 T HA -0.005 4.345 4.350 0.001 0.000 0.266 2611 T C 1.853 176.579 174.700 0.043 0.000 1.208 2611 T CA 1.528 63.657 62.100 0.048 0.000 1.017 2611 T CB -0.564 68.317 68.868 0.022 0.000 0.916 2611 T HN 0.387 nan 8.240 nan 0.000 0.572 2612 A N 1.437 124.279 122.820 0.036 0.000 1.896 2612 A HA 0.161 4.481 4.320 0.001 0.000 0.220 2612 A C 1.748 179.333 177.584 0.002 0.000 1.206 2612 A CA 1.766 53.793 52.037 -0.017 0.000 0.647 2612 A CB -1.570 17.370 19.000 -0.099 0.000 0.828 2612 A HN 1.887 nan 8.150 nan 0.000 0.455 2613 A N -1.318 121.547 122.820 0.075 0.000 2.018 2613 A HA -0.150 4.171 4.320 0.001 0.000 0.263 2613 A C 0.825 178.420 177.584 0.019 0.000 1.361 2613 A CA 1.503 53.594 52.037 0.091 0.000 0.737 2613 A CB -1.522 17.512 19.000 0.057 0.000 1.189 2613 A HN 0.982 nan 8.150 nan 0.000 0.304 2614 K N -0.296 120.095 120.400 -0.016 0.000 4.623 2614 K HA 0.454 4.774 4.320 0.001 0.000 0.211 2614 K C 0.649 177.216 176.600 -0.056 0.000 1.111 2614 K CA 0.535 56.768 56.287 -0.090 0.000 1.955 2614 K CB -0.115 32.260 32.500 -0.208 0.000 2.808 2614 K HN 0.787 nan 8.250 nan 0.000 0.599 2615 T N 3.007 117.513 114.554 -0.080 0.000 2.891 2615 T HA 0.384 4.734 4.350 0.001 0.000 0.315 2615 T C -0.603 174.196 174.700 0.165 0.000 1.054 2615 T CA -0.760 61.327 62.100 -0.023 0.000 0.958 2615 T CB -0.431 68.385 68.868 -0.088 0.000 1.008 2615 T HN 0.194 nan 8.240 nan 0.000 0.521 2616 L N 4.747 126.074 121.223 0.174 0.000 2.352 2616 L HA 0.639 4.979 4.340 0.001 0.000 0.269 2616 L C -0.035 176.914 176.870 0.132 0.000 1.034 2616 L CA -0.897 54.077 54.840 0.222 0.000 0.806 2616 L CB 1.921 44.079 42.059 0.165 0.000 1.244 2616 L HN 0.324 nan 8.230 nan 0.000 0.447 2617 V N 4.021 124.011 119.914 0.127 0.000 2.327 2617 V HA 0.396 4.516 4.120 0.001 0.000 0.272 2617 V C 0.175 176.297 176.094 0.047 0.000 1.019 2617 V CA -0.334 62.017 62.300 0.086 0.000 0.814 2617 V CB 1.362 33.263 31.823 0.129 0.000 1.040 2617 V HN 0.491 nan 8.190 nan 0.000 0.440 2618 L N 2.918 124.158 121.223 0.029 0.000 2.331 2618 L HA 0.754 5.094 4.340 0.001 0.000 0.268 2618 L C 0.010 176.887 176.870 0.012 0.000 1.015 2618 L CA -0.532 54.313 54.840 0.008 0.000 0.807 2618 L CB 1.833 43.897 42.059 0.008 0.000 1.293 2618 L HN 0.608 nan 8.230 nan 0.000 0.451 2619 C N 0.662 119.967 119.300 0.008 0.000 2.779 2619 C HA 0.750 5.210 4.460 0.001 0.000 0.314 2619 C C -0.286 174.753 174.990 0.082 0.000 1.231 2619 C CA -0.643 58.401 59.018 0.043 0.000 1.652 2619 C CB 1.614 29.372 27.740 0.030 0.000 2.198 2619 C HN 0.584 nan 8.230 nan 0.000 0.483 2620 V N 4.108 124.098 119.914 0.126 0.000 2.432 2620 V HA 0.586 4.706 4.120 0.001 0.000 0.271 2620 V C 0.678 176.908 176.094 0.227 0.000 1.046 2620 V CA 0.695 63.075 62.300 0.133 0.000 0.945 2620 V CB 0.701 32.588 31.823 0.106 0.000 0.992 2620 V HN 1.071 nan 8.190 nan 0.000 0.471 2621 S N 0.941 116.732 115.700 0.152 0.000 2.540 2621 S HA 0.287 4.758 4.470 0.001 0.000 0.222 2621 S C 0.172 174.761 174.600 -0.019 0.000 1.008 2621 S CA 0.404 58.653 58.200 0.081 0.000 0.939 2621 S CB 0.001 63.274 63.200 0.121 0.000 0.865 2621 S HN 0.984 nan 8.310 nan 0.000 0.499 2622 D N -0.165 120.249 120.400 0.023 0.000 2.785 2622 D HA 0.223 4.863 4.640 0.001 0.000 0.239 2622 D C -1.741 174.568 176.300 0.015 0.000 1.142 2622 D CA -0.367 53.632 54.000 -0.002 0.000 0.734 2622 D CB 0.587 41.372 40.800 -0.024 0.000 1.820 2622 D HN 0.178 nan 8.370 nan 0.000 0.461 2623 I N 3.604 124.179 120.570 0.009 0.000 2.268 2623 I HA 0.233 4.403 4.170 0.001 0.000 0.290 2623 I C 0.558 176.678 176.117 0.004 0.000 1.125 2623 I CA -0.776 60.530 61.300 0.010 0.000 1.236 2623 I CB 0.314 38.320 38.000 0.011 0.000 1.469 2623 I HN 0.324 nan 8.210 nan 0.000 0.512 2624 I N 4.436 125.009 120.570 0.006 0.000 3.015 2624 I HA -0.150 4.021 4.170 0.001 0.000 0.309 2624 I C 0.925 177.043 176.117 0.001 0.000 1.229 2624 I CA 0.969 62.271 61.300 0.004 0.000 1.430 2624 I CB -0.210 37.794 38.000 0.007 0.000 1.347 2624 I HN 0.564 nan 8.210 nan 0.000 0.544 2625 S N 7.299 122.999 115.700 -0.000 0.000 2.520 2625 S HA 0.730 5.200 4.470 0.001 0.000 0.324 2625 S C 0.088 174.687 174.600 -0.001 0.000 1.069 2625 S CA -0.776 57.423 58.200 -0.001 0.000 1.121 2625 S CB 1.900 65.098 63.200 -0.002 0.000 0.971 2625 S HN 0.562 nan 8.310 nan 0.000 0.463 2626 L N 1.963 123.185 121.223 -0.001 0.000 3.878 2626 L HA 0.340 4.680 4.340 0.001 0.000 0.207 2626 L C 1.222 178.091 176.870 -0.001 0.000 1.209 2626 L CA -0.295 54.544 54.840 -0.000 0.000 1.453 2626 L CB -0.829 41.231 42.059 0.001 0.000 1.818 2626 L HN 0.747 nan 8.230 nan 0.000 0.806 2646 V N 2.589 122.500 119.914 -0.005 0.000 2.443 2646 V HA 0.253 4.374 4.120 0.001 0.000 0.272 2646 V C 0.403 176.494 176.094 -0.005 0.000 1.002 2646 V CA -0.431 61.866 62.300 -0.004 0.000 0.840 2646 V CB 0.890 32.709 31.823 -0.006 0.000 1.042 2646 V HN 0.508 nan 8.190 nan 0.000 0.446 2647 D N 3.806 124.204 120.400 -0.003 0.000 1.872 2647 D HA -0.066 4.575 4.640 0.001 0.000 0.274 2647 D C 1.434 177.732 176.300 -0.004 0.000 1.117 2647 D CA 2.322 56.320 54.000 -0.003 0.000 0.998 2647 D CB 0.371 41.171 40.800 -0.000 0.000 1.521 2647 D HN 0.667 nan 8.370 nan 0.000 0.549 2648 T N -2.482 112.071 114.554 -0.001 0.000 2.511 2648 T HA 0.540 4.890 4.350 0.001 0.000 0.209 2648 T C 0.169 174.872 174.700 0.004 0.000 0.805 2648 T CA -0.214 61.885 62.100 -0.001 0.000 1.241 2648 T CB 0.075 68.943 68.868 0.001 0.000 1.785 2648 T HN 0.413 nan 8.240 nan 0.000 0.492 2649 I N -2.017 118.558 120.570 0.009 0.000 3.102 2649 I HA 0.733 4.903 4.170 0.001 0.000 0.310 2649 I C -1.285 174.846 176.117 0.025 0.000 1.246 2649 I CA -1.231 60.080 61.300 0.017 0.000 0.979 2649 I CB 2.468 40.479 38.000 0.018 0.000 1.267 2649 I HN 0.763 nan 8.210 nan 0.000 0.451 2650 E N 2.992 123.213 120.200 0.034 0.000 2.175 2650 E HA 0.610 4.961 4.350 0.001 0.000 0.278 2650 E C -1.689 174.941 176.600 0.049 0.000 0.969 2650 E CA -0.737 55.691 56.400 0.047 0.000 0.796 2650 E CB 1.669 31.405 29.700 0.059 0.000 1.104 2650 E HN 0.556 nan 8.360 nan 0.000 0.395 2651 L N 3.745 124.992 121.223 0.040 0.000 2.305 2651 L HA 0.392 4.733 4.340 0.001 0.000 0.284 2651 L C 0.025 176.887 176.870 -0.013 0.000 1.013 2651 L CA -0.593 54.260 54.840 0.022 0.000 0.819 2651 L CB 1.959 44.030 42.059 0.019 0.000 1.227 2651 L HN 0.488 nan 8.230 nan 0.000 0.417 2652 T N -0.592 113.912 114.554 -0.084 0.000 2.856 2652 T HA 0.335 4.686 4.350 0.001 0.000 0.283 2652 T C -0.099 174.469 174.700 -0.220 0.000 1.008 2652 T CA -0.607 61.333 62.100 -0.268 0.000 0.997 2652 T CB 1.257 69.656 68.868 -0.782 0.000 0.992 2652 T HN 0.713 nan 8.240 nan 0.000 0.454 2653 D N 1.604 121.892 120.400 -0.187 0.000 2.463 2653 D HA 0.352 4.993 4.640 0.001 0.000 0.224 2653 D C 1.405 177.689 176.300 -0.026 0.000 1.174 2653 D CA 0.256 54.208 54.000 -0.081 0.000 0.829 2653 D CB -0.157 40.622 40.800 -0.035 0.000 0.993 2653 D HN 0.929 nan 8.370 nan 0.000 0.497 2654 G N -0.390 108.252 108.800 -0.262 0.000 2.258 2654 G HA2 -0.316 3.644 3.960 0.001 0.000 0.233 2654 G HA3 -0.316 3.644 3.960 0.001 0.000 0.233 2654 G C 0.603 175.318 174.900 -0.307 0.000 1.006 2654 G CA 0.132 45.098 45.100 -0.224 0.000 0.620 2654 G HN 0.296 nan 8.290 nan 0.000 0.511 2655 W N -0.761 120.360 121.300 -0.298 0.000 3.097 2655 W HA 0.643 5.303 4.660 0.001 0.000 0.245 2655 W C 0.580 176.846 176.519 -0.422 0.000 1.120 2655 W CA -0.025 57.238 57.345 -0.137 0.000 1.468 2655 W CB 0.411 29.990 29.460 0.199 0.000 0.851 2655 W HN 0.204 nan 8.180 nan 0.000 0.692 2656 Y N -0.652 119.718 120.300 0.117 0.000 2.625 2656 Y HA 0.685 5.235 4.550 0.001 0.000 0.338 2656 Y C 0.017 175.936 175.900 0.031 0.000 1.123 2656 Y CA -2.202 55.984 58.100 0.144 0.000 1.046 2656 Y CB 0.857 39.400 38.460 0.139 0.000 1.299 2656 Y HN -0.242 nan 8.280 nan 0.000 0.464 2657 A N 0.737 123.721 122.820 0.273 0.000 2.386 2657 A HA 0.987 5.308 4.320 0.001 0.000 0.308 2657 A C -1.329 176.334 177.584 0.133 0.000 1.128 2657 A CA -0.697 51.434 52.037 0.157 0.000 0.789 2657 A CB 1.376 20.518 19.000 0.237 0.000 1.325 2657 A HN 0.986 nan 8.150 nan 0.000 0.437 2658 V N -1.942 118.023 119.914 0.084 0.000 3.087 2658 V HA 0.566 4.687 4.120 0.001 0.000 0.306 2658 V C -0.856 175.268 176.094 0.049 0.000 1.187 2658 V CA -1.203 61.136 62.300 0.064 0.000 0.999 2658 V CB 1.681 33.533 31.823 0.048 0.000 1.049 2658 V HN 0.810 nan 8.190 nan 0.000 0.431 2659 K N 1.863 122.287 120.400 0.040 0.000 2.227 2659 K HA 0.765 5.085 4.320 0.001 0.000 0.280 2659 K C 0.042 176.655 176.600 0.022 0.000 1.041 2659 K CA -0.079 56.226 56.287 0.030 0.000 0.905 2659 K CB 1.830 34.345 32.500 0.025 0.000 1.068 2659 K HN 1.062 nan 8.250 nan 0.000 0.470 2660 A N 3.024 125.855 122.820 0.017 0.000 2.302 2660 A HA 0.148 4.469 4.320 0.001 0.000 0.285 2660 A C -0.361 177.226 177.584 0.004 0.000 1.105 2660 A CA -0.468 51.575 52.037 0.010 0.000 0.816 2660 A CB 0.646 19.651 19.000 0.008 0.000 1.067 2660 A HN 0.762 nan 8.150 nan 0.000 0.489 2661 Q N 1.512 121.313 119.800 0.000 0.000 2.322 2661 Q HA 0.534 4.875 4.340 0.001 0.000 0.256 2661 Q C -1.281 174.711 176.000 -0.013 0.000 0.960 2661 Q CA -0.151 55.649 55.803 -0.005 0.000 0.934 2661 Q CB 0.453 29.189 28.738 -0.003 0.000 1.200 2661 Q HN 0.711 nan 8.270 nan 0.000 0.435 2662 L N 3.004 124.215 121.223 -0.020 0.000 2.352 2662 L HA 0.438 4.778 4.340 0.001 0.000 0.269 2662 L C -0.262 176.582 176.870 -0.043 0.000 1.034 2662 L CA -1.064 53.756 54.840 -0.034 0.000 0.806 2662 L CB 1.460 43.497 42.059 -0.038 0.000 1.244 2662 L HN 0.761 nan 8.230 nan 0.000 0.447 2663 D N 0.184 120.546 120.400 -0.064 0.000 2.268 2663 D HA 0.301 4.942 4.640 0.001 0.000 0.249 2663 D C -2.287 173.955 176.300 -0.097 0.000 1.008 2663 D CA -2.287 51.670 54.000 -0.071 0.000 0.939 2663 D CB 0.944 41.697 40.800 -0.078 0.000 1.170 2663 D HN 0.070 nan 8.370 nan 0.000 0.468 2664 P HA -0.123 nan 4.420 nan 0.000 0.217 2664 P C -1.318 175.898 177.300 -0.139 0.000 1.151 2664 P CA 1.900 64.954 63.100 -0.077 0.000 0.849 2664 P CB -0.739 30.938 31.700 -0.037 0.000 0.787 2665 P HA -0.130 nan 4.420 nan 0.000 0.216 2665 P C 1.718 178.716 177.300 -0.504 0.000 1.153 2665 P CA 1.343 64.112 63.100 -0.552 0.000 0.848 2665 P CB -0.273 30.744 31.700 -1.138 0.000 0.787 2666 L N -0.652 120.347 121.223 -0.373 0.000 1.973 2666 L HA -0.119 4.221 4.340 0.001 0.000 0.208 2666 L C 2.936 179.723 176.870 -0.138 0.000 1.073 2666 L CA 1.070 55.769 54.840 -0.234 0.000 0.746 2666 L CB -1.168 40.793 42.059 -0.163 0.000 0.891 2666 L HN -0.127 nan 8.230 nan 0.000 0.433 2667 L N -0.140 121.020 121.223 -0.106 0.000 2.054 2667 L HA -0.360 3.980 4.340 0.001 0.000 0.220 2667 L C 2.672 179.508 176.870 -0.056 0.000 1.081 2667 L CA 1.819 56.621 54.840 -0.064 0.000 0.780 2667 L CB -0.377 41.651 42.059 -0.052 0.000 0.893 2667 L HN 0.365 nan 8.230 nan 0.000 0.438 2668 A N -0.384 122.395 122.820 -0.068 0.000 1.986 2668 A HA -0.240 4.081 4.320 0.001 0.000 0.220 2668 A C 2.099 179.664 177.584 -0.032 0.000 1.171 2668 A CA 2.058 54.068 52.037 -0.044 0.000 0.640 2668 A CB -0.810 18.166 19.000 -0.040 0.000 0.811 2668 A HN 0.575 nan 8.150 nan 0.000 0.451 2669 L N -0.886 120.309 121.223 -0.046 0.000 2.141 2669 L HA -0.129 4.212 4.340 0.001 0.000 0.209 2669 L C 2.458 179.322 176.870 -0.011 0.000 1.094 2669 L CA 0.778 55.605 54.840 -0.022 0.000 0.763 2669 L CB -0.631 41.407 42.059 -0.035 0.000 0.908 2669 L HN 0.234 nan 8.230 nan 0.000 0.437 2670 V N -0.195 119.708 119.914 -0.018 0.000 2.237 2670 V HA -0.279 3.841 4.120 0.001 0.000 0.245 2670 V C 2.581 178.673 176.094 -0.002 0.000 1.046 2670 V CA 1.689 63.985 62.300 -0.006 0.000 1.007 2670 V CB -0.463 31.354 31.823 -0.009 0.000 0.638 2670 V HN 0.292 nan 8.190 nan 0.000 0.445 2671 K N 0.928 121.323 120.400 -0.008 0.000 2.001 2671 K HA -0.191 4.130 4.320 0.001 0.000 0.223 2671 K C 2.323 178.922 176.600 -0.001 0.000 1.055 2671 K CA 2.163 58.447 56.287 -0.006 0.000 0.965 2671 K CB -1.146 31.347 32.500 -0.011 0.000 0.730 2671 K HN 0.412 nan 8.250 nan 0.000 0.449 2672 S N -0.873 114.826 115.700 -0.001 0.000 2.461 2672 S HA -0.119 4.351 4.470 0.001 0.000 0.246 2672 S C 1.269 175.874 174.600 0.008 0.000 1.007 2672 S CA 1.303 59.505 58.200 0.004 0.000 0.976 2672 S CB -0.580 62.625 63.200 0.008 0.000 0.763 2672 S HN 0.630 nan 8.310 nan 0.000 0.508 2673 G N 0.584 109.389 108.800 0.010 0.000 2.132 2673 G HA2 -0.245 3.716 3.960 0.001 0.000 0.228 2673 G HA3 -0.245 3.716 3.960 0.001 0.000 0.228 2673 G C 0.843 175.754 174.900 0.020 0.000 1.000 2673 G CA 0.278 45.388 45.100 0.015 0.000 0.693 2673 G HN 0.308 nan 8.290 nan 0.000 0.515 2674 R N -0.584 119.927 120.500 0.018 0.000 2.062 2674 R HA 0.201 4.541 4.340 0.001 0.000 0.226 2674 R C 1.448 177.764 176.300 0.026 0.000 1.125 2674 R CA 0.525 56.639 56.100 0.023 0.000 0.966 2674 R CB -0.260 30.054 30.300 0.023 0.000 0.861 2674 R HN 0.467 nan 8.270 nan 0.000 0.433 2675 L N 2.551 123.787 121.223 0.021 0.000 2.287 2675 L HA 0.163 4.504 4.340 0.001 0.000 0.280 2675 L C 0.075 176.966 176.870 0.036 0.000 1.055 2675 L CA -0.108 54.748 54.840 0.026 0.000 0.863 2675 L CB 1.243 43.311 42.059 0.015 0.000 1.245 2675 L HN 0.070 nan 8.230 nan 0.000 0.432 2676 T N 2.192 116.775 114.554 0.047 0.000 2.902 2676 T HA 0.388 4.739 4.350 0.001 0.000 0.280 2676 T C 0.168 174.918 174.700 0.083 0.000 0.992 2676 T CA -0.423 61.712 62.100 0.059 0.000 1.015 2676 T CB 1.361 70.265 68.868 0.060 0.000 1.044 2676 T HN 0.146 nan 8.240 nan 0.000 0.520 2677 V N 2.938 122.912 119.914 0.100 0.000 2.715 2677 V HA 0.486 4.606 4.120 0.001 0.000 0.299 2677 V C 1.773 178.000 176.094 0.222 0.000 1.054 2677 V CA 1.146 63.537 62.300 0.152 0.000 1.077 2677 V CB 0.507 32.411 31.823 0.136 0.000 0.972 2677 V HN 1.311 nan 8.190 nan 0.000 0.484 2678 G N 3.062 112.046 108.800 0.308 0.000 2.213 2678 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 2678 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 2678 G C 0.186 175.163 174.900 0.129 0.000 0.991 2678 G CA 0.069 45.340 45.100 0.284 0.000 0.629 2678 G HN 0.647 nan 8.290 nan 0.000 0.517 2679 Q N 0.638 120.510 119.800 0.121 0.000 2.354 2679 Q HA 0.528 4.869 4.340 0.001 0.000 0.244 2679 Q C 0.015 176.058 176.000 0.072 0.000 0.969 2679 Q CA 0.195 56.049 55.803 0.086 0.000 0.885 2679 Q CB 0.782 29.565 28.738 0.075 0.000 1.241 2679 Q HN 0.398 nan 8.270 nan 0.000 0.461 2680 K N 1.554 121.989 120.400 0.058 0.000 2.156 2680 K HA 0.539 4.860 4.320 0.001 0.000 0.254 2680 K C -0.666 175.951 176.600 0.028 0.000 0.950 2680 K CA -0.685 55.625 56.287 0.039 0.000 0.849 2680 K CB 1.213 33.732 32.500 0.031 0.000 1.100 2680 K HN 0.351 nan 8.250 nan 0.000 0.434 2681 I N 2.911 123.494 120.570 0.021 0.000 2.740 2681 I HA 0.454 4.624 4.170 0.001 0.000 0.303 2681 I C -0.111 176.009 176.117 0.006 0.000 1.044 2681 I CA -0.875 60.433 61.300 0.014 0.000 1.064 2681 I CB 1.683 39.693 38.000 0.017 0.000 1.249 2681 I HN 0.542 nan 8.210 nan 0.000 0.433 2682 I N 3.185 123.753 120.570 -0.002 0.000 2.530 2682 I HA 0.516 4.686 4.170 0.001 0.000 0.297 2682 I C -0.500 175.625 176.117 0.012 0.000 1.011 2682 I CA -0.458 60.838 61.300 -0.006 0.000 1.107 2682 I CB 2.345 40.320 38.000 -0.041 0.000 1.285 2682 I HN 0.637 nan 8.210 nan 0.000 0.436 2683 T N 0.808 115.363 114.554 0.002 0.000 3.293 2683 T HA 0.308 4.659 4.350 0.001 0.000 0.320 2683 T C -0.162 174.497 174.700 -0.068 0.000 0.995 2683 T CA -0.721 61.365 62.100 -0.023 0.000 1.041 2683 T CB 1.909 70.773 68.868 -0.006 0.000 1.058 2683 T HN 0.563 nan 8.240 nan 0.000 0.453 2684 Q N 2.152 121.867 119.800 -0.141 0.000 2.212 2684 Q HA 0.217 4.558 4.340 0.001 0.000 0.199 2684 Q C 2.315 178.244 176.000 -0.118 0.000 0.950 2684 Q CA 1.427 57.112 55.803 -0.197 0.000 0.863 2684 Q CB -0.296 28.235 28.738 -0.345 0.000 0.944 2684 Q HN 0.961 nan 8.270 nan 0.000 0.465 2685 G N 1.525 110.273 108.800 -0.087 0.000 2.739 2685 G HA2 -0.171 3.789 3.960 0.001 0.000 0.216 2685 G HA3 -0.171 3.789 3.960 0.001 0.000 0.216 2685 G C 0.235 175.117 174.900 -0.031 0.000 1.298 2685 G CA 0.740 45.809 45.100 -0.053 0.000 0.804 2685 G HN 0.704 nan 8.290 nan 0.000 0.623 2686 A N -0.887 121.924 122.820 -0.015 0.000 1.389 2686 A HA 0.000 4.321 4.320 0.001 0.000 0.181 2686 A C -0.072 177.516 177.584 0.006 0.000 1.171 2686 A CA 1.550 53.590 52.037 0.005 0.000 0.573 2686 A CB -1.175 17.839 19.000 0.024 0.000 1.152 2686 A HN 0.663 nan 8.150 nan 0.000 0.150 2687 E N 0.718 120.923 120.200 0.008 0.000 2.292 2687 E HA 0.497 4.848 4.350 0.001 0.000 0.272 2687 E C -1.064 175.543 176.600 0.011 0.000 0.881 2687 E CA -1.049 55.355 56.400 0.007 0.000 0.754 2687 E CB 1.755 31.456 29.700 0.002 0.000 1.201 2687 E HN 0.605 nan 8.360 nan 0.000 0.425 2688 L N 4.125 125.356 121.223 0.013 0.000 2.397 2688 L HA 0.216 4.556 4.340 0.001 0.000 0.263 2688 L C -0.914 175.961 176.870 0.009 0.000 1.136 2688 L CA -0.305 54.543 54.840 0.014 0.000 1.019 2688 L CB 0.381 42.449 42.059 0.016 0.000 1.352 2688 L HN 0.304 nan 8.230 nan 0.000 0.420 2689 V N 3.471 123.389 119.914 0.008 0.000 3.003 2689 V HA 0.777 4.898 4.120 0.001 0.000 0.305 2689 V C 1.179 177.277 176.094 0.007 0.000 1.078 2689 V CA 0.536 62.839 62.300 0.006 0.000 1.083 2689 V CB 0.696 32.521 31.823 0.004 0.000 1.039 2689 V HN 0.906 nan 8.190 nan 0.000 0.481 2690 G N 3.086 111.889 108.800 0.006 0.000 3.355 2690 G HA2 -0.168 3.792 3.960 0.001 0.000 0.247 2690 G HA3 -0.168 3.792 3.960 0.001 0.000 0.247 2690 G C 0.075 174.979 174.900 0.007 0.000 1.818 2690 G CA 0.110 45.214 45.100 0.007 0.000 1.309 2690 G HN 1.696 nan 8.290 nan 0.000 0.546 2691 S N 2.132 117.837 115.700 0.008 0.000 2.532 2691 S HA 0.822 5.293 4.470 0.001 0.000 0.299 2691 S C -1.324 173.281 174.600 0.007 0.000 1.105 2691 S CA 0.018 58.223 58.200 0.008 0.000 1.018 2691 S CB 3.521 66.726 63.200 0.009 0.000 1.021 2691 S HN 0.765 nan 8.310 nan 0.000 0.483 2692 P HA 0.415 nan 4.420 nan 0.000 0.250 2692 P C -0.322 176.981 177.300 0.004 0.000 1.202 2692 P CA 0.585 63.688 63.100 0.005 0.000 0.722 2692 P CB -0.058 31.644 31.700 0.003 0.000 1.432 2693 D N -0.480 119.922 120.400 0.003 0.000 3.624 2693 D HA -0.232 4.409 4.640 0.001 0.000 0.198 2693 D C 0.441 176.742 176.300 0.002 0.000 1.553 2693 D CA 2.938 56.940 54.000 0.003 0.000 2.254 2693 D CB -1.965 38.838 40.800 0.005 0.000 1.308 2693 D HN 0.832 nan 8.370 nan 0.000 0.404 2694 A N -1.232 121.589 122.820 0.002 0.000 2.438 2694 A HA 0.218 4.539 4.320 0.001 0.000 0.674 2694 A C 0.819 178.403 177.584 -0.000 0.000 0.217 2694 A CA 0.551 52.588 52.037 -0.000 0.000 0.135 2694 A CB -1.778 17.221 19.000 -0.001 0.000 3.898 2694 A HN 1.227 nan 8.150 nan 0.000 0.540 2695 C N 0.894 120.193 119.300 -0.001 0.000 2.030 2695 C HA 1.047 5.508 4.460 0.001 0.000 0.143 2695 C C 0.966 175.952 174.990 -0.007 0.000 2.898 2695 C CA 0.082 59.101 59.018 0.002 0.000 1.932 2695 C CB 0.680 28.425 27.740 0.008 0.000 2.700 2695 C HN 2.722 nan 8.230 nan 0.000 0.308 2696 A N 0.451 123.268 122.820 -0.004 0.000 2.465 2696 A HA 0.666 4.987 4.320 0.001 0.000 0.292 2696 A C -1.571 176.003 177.584 -0.016 0.000 1.041 2696 A CA -0.685 51.340 52.037 -0.019 0.000 0.718 2696 A CB 0.467 19.477 19.000 0.017 0.000 1.266 2696 A HN 0.656 nan 8.150 nan 0.000 0.403 2697 P HA -0.294 nan 4.420 nan 0.000 0.229 2697 P C 1.195 178.570 177.300 0.125 0.000 1.152 2697 P CA 1.916 64.975 63.100 -0.069 0.000 0.915 2697 P CB 0.070 31.446 31.700 -0.540 0.000 0.784 2698 L N -0.740 120.586 121.223 0.171 0.000 2.162 2698 L HA 0.044 4.385 4.340 0.001 0.000 0.205 2698 L C 2.147 179.081 176.870 0.108 0.000 1.086 2698 L CA 1.201 56.148 54.840 0.179 0.000 0.778 2698 L CB -0.937 41.250 42.059 0.213 0.000 0.928 2698 L HN -0.132 nan 8.230 nan 0.000 0.446 2699 E N 1.155 121.406 120.200 0.086 0.000 2.296 2699 E HA 0.242 4.592 4.350 0.001 0.000 0.196 2699 E C 0.277 176.905 176.600 0.046 0.000 1.143 2699 E CA -0.330 56.106 56.400 0.060 0.000 1.145 2699 E CB 0.145 29.877 29.700 0.054 0.000 1.215 2699 E HN 0.353 nan 8.360 nan 0.000 0.447 2700 A N 2.500 125.350 122.820 0.050 0.000 2.450 2700 A HA 0.247 4.568 4.320 0.001 0.000 0.255 2700 A C -2.143 175.461 177.584 0.034 0.000 1.096 2700 A CA -1.232 50.828 52.037 0.038 0.000 0.778 2700 A CB -0.073 18.954 19.000 0.045 0.000 1.031 2700 A HN 0.002 nan 8.150 nan 0.000 0.494 2701 P HA 0.016 nan 4.420 nan 0.000 0.264 2701 P C 0.393 177.707 177.300 0.023 0.000 1.193 2701 P CA 0.010 63.123 63.100 0.022 0.000 0.763 2701 P CB 0.676 32.386 31.700 0.017 0.000 0.810 2702 D N 0.740 121.153 120.400 0.022 0.000 2.149 2702 D HA -0.129 4.512 4.640 0.001 0.000 0.198 2702 D C 0.049 176.360 176.300 0.017 0.000 0.990 2702 D CA 1.160 55.173 54.000 0.021 0.000 0.839 2702 D CB -0.626 40.185 40.800 0.018 0.000 0.948 2702 D HN 0.192 nan 8.370 nan 0.000 0.460 2703 S N 0.507 116.216 115.700 0.015 0.000 4.175 2703 S HA 0.355 4.825 4.470 0.001 0.000 0.193 2703 S C 0.203 174.810 174.600 0.013 0.000 1.373 2703 S CA -0.425 57.782 58.200 0.012 0.000 0.908 2703 S CB -0.738 62.468 63.200 0.010 0.000 1.547 2703 S HN 0.353 nan 8.310 nan 0.000 0.440 2704 L N 1.866 123.098 121.223 0.015 0.000 2.676 2704 L HA 0.556 4.896 4.340 0.001 0.000 0.262 2704 L C -1.577 175.304 176.870 0.017 0.000 0.932 2704 L CA -0.538 54.312 54.840 0.016 0.000 0.932 2704 L CB 1.039 43.108 42.059 0.018 0.000 1.355 2704 L HN 0.138 nan 8.230 nan 0.000 0.421 2705 R N 4.401 124.910 120.500 0.014 0.000 2.892 2705 R HA 0.583 4.924 4.340 0.001 0.000 0.265 2705 R C -1.346 174.963 176.300 0.014 0.000 1.025 2705 R CA -0.824 55.285 56.100 0.014 0.000 0.982 2705 R CB 2.127 32.433 30.300 0.010 0.000 1.185 2705 R HN 0.615 nan 8.270 nan 0.000 0.484 2706 L N 2.399 123.631 121.223 0.015 0.000 2.356 2706 L HA 0.330 4.670 4.340 0.001 0.000 0.264 2706 L C -0.105 176.771 176.870 0.010 0.000 1.029 2706 L CA -0.433 54.416 54.840 0.016 0.000 0.897 2706 L CB 0.556 42.628 42.059 0.021 0.000 1.256 2706 L HN 0.546 nan 8.230 nan 0.000 0.444 2707 K N 4.426 124.829 120.400 0.006 0.000 2.472 2707 K HA 0.139 4.459 4.320 0.001 0.000 0.280 2707 K C -0.745 175.853 176.600 -0.004 0.000 1.028 2707 K CA 0.015 56.302 56.287 -0.001 0.000 1.045 2707 K CB 0.617 33.115 32.500 -0.002 0.000 0.902 2707 K HN 0.471 nan 8.250 nan 0.000 0.478 2708 I N 2.623 123.186 120.570 -0.011 0.000 2.569 2708 I HA 0.185 4.356 4.170 0.001 0.000 0.296 2708 I C -0.435 175.665 176.117 -0.029 0.000 1.028 2708 I CA -0.552 60.738 61.300 -0.016 0.000 1.082 2708 I CB 1.944 39.935 38.000 -0.015 0.000 1.264 2708 I HN 0.530 nan 8.210 nan 0.000 0.429 2709 S N 3.854 119.535 115.700 -0.031 0.000 2.596 2709 S HA 0.425 4.895 4.470 0.001 0.000 0.318 2709 S C 0.978 175.552 174.600 -0.045 0.000 1.097 2709 S CA -0.483 57.694 58.200 -0.038 0.000 1.080 2709 S CB 1.804 64.990 63.200 -0.024 0.000 0.991 2709 S HN 0.745 nan 8.310 nan 0.000 0.471 2710 A N 2.844 125.612 122.820 -0.088 0.000 2.204 2710 A HA -0.159 4.161 4.320 0.001 0.000 0.220 2710 A C 1.370 178.960 177.584 0.010 0.000 1.165 2710 A CA 1.528 53.494 52.037 -0.118 0.000 0.671 2710 A CB -0.291 18.484 19.000 -0.375 0.000 0.792 2710 A HN 0.674 nan 8.150 nan 0.000 0.473 2711 N N -1.214 117.511 118.700 0.041 0.000 2.204 2711 N HA 0.159 4.899 4.740 0.001 0.000 0.219 2711 N C 0.365 175.894 175.510 0.031 0.000 1.151 2711 N CA 0.613 53.714 53.050 0.086 0.000 0.867 2711 N CB 0.791 39.340 38.487 0.104 0.000 1.043 2711 N HN 0.317 nan 8.380 nan 0.000 0.516 2712 S N -1.577 114.125 115.700 0.003 0.000 2.687 2712 S HA 0.089 4.560 4.470 0.001 0.000 0.247 2712 S C 0.598 175.186 174.600 -0.019 0.000 1.050 2712 S CA -0.323 57.857 58.200 -0.033 0.000 1.063 2712 S CB 1.515 64.681 63.200 -0.057 0.000 1.039 2712 S HN 0.254 nan 8.310 nan 0.000 0.580 2713 T N 1.311 115.867 114.554 0.004 0.000 2.932 2713 T HA 0.818 5.168 4.350 0.001 0.000 0.289 2713 T C -1.194 173.525 174.700 0.031 0.000 1.039 2713 T CA -0.352 61.754 62.100 0.011 0.000 1.024 2713 T CB 1.577 70.442 68.868 -0.006 0.000 1.090 2713 T HN 0.092 nan 8.240 nan 0.000 0.496 2714 R N 1.874 122.390 120.500 0.028 0.000 2.709 2714 R HA 0.494 4.834 4.340 0.001 0.000 0.270 2714 R C -2.929 173.377 176.300 0.011 0.000 1.038 2714 R CA -1.454 54.662 56.100 0.028 0.000 0.872 2714 R CB 1.617 31.938 30.300 0.035 0.000 1.259 2714 R HN 0.481 nan 8.270 nan 0.000 0.473 2715 P HA 0.217 nan 4.420 nan 0.000 0.271 2715 P C -0.984 176.311 177.300 -0.010 0.000 1.220 2715 P CA -0.114 62.994 63.100 0.013 0.000 0.768 2715 P CB 1.198 32.914 31.700 0.028 0.000 0.848 2716 A N 4.638 127.450 122.820 -0.015 0.000 2.242 2716 A HA 0.490 4.811 4.320 0.001 0.000 0.304 2716 A C 0.313 177.875 177.584 -0.037 0.000 1.100 2716 A CA -0.632 51.374 52.037 -0.052 0.000 0.860 2716 A CB 0.253 19.220 19.000 -0.056 0.000 1.168 2716 A HN 0.400 nan 8.150 nan 0.000 0.503 2717 R N 1.339 121.768 120.500 -0.118 0.000 2.537 2717 R HA 0.068 4.408 4.340 0.001 0.000 0.280 2717 R C 1.474 177.711 176.300 -0.105 0.000 1.058 2717 R CA 0.307 56.326 56.100 -0.136 0.000 1.057 2717 R CB 0.227 30.270 30.300 -0.428 0.000 0.973 2717 R HN 0.906 nan 8.270 nan 0.000 0.438 2718 W N 5.358 126.715 121.300 0.095 0.000 2.275 2718 W HA -0.369 4.291 4.660 0.001 0.000 0.321 2718 W C 0.930 177.547 176.519 0.162 0.000 1.269 2718 W CA 2.128 59.556 57.345 0.139 0.000 1.274 2718 W CB -0.801 28.774 29.460 0.193 0.000 1.141 2718 W HN 0.751 nan 8.180 nan 0.000 0.493 2719 H N 1.371 119.827 119.070 -1.023 0.000 2.298 2719 H HA -0.009 4.548 4.556 0.001 0.000 0.318 2719 H C 2.299 177.391 175.328 -0.394 0.000 1.064 2719 H CA 2.153 57.607 56.048 -0.991 0.000 1.415 2719 H CB -1.394 27.467 29.762 -1.501 0.000 1.453 2719 H HN 0.218 nan 8.280 nan 0.000 0.546 2720 S N 1.543 116.711 115.700 -0.886 0.000 4.110 2720 S HA -0.353 4.118 4.470 0.001 0.000 0.573 2720 S C 0.358 174.864 174.600 -0.157 0.000 1.936 2720 S CA 2.261 60.220 58.200 -0.402 0.000 4.227 2720 S CB -1.457 61.606 63.200 -0.228 0.000 0.327 2720 S HN 1.185 nan 8.310 nan 0.000 0.532 2721 K N -0.397 119.967 120.400 -0.059 0.000 2.806 2721 K HA 0.410 4.730 4.320 0.001 0.000 0.293 2721 K C -1.288 175.333 176.600 0.034 0.000 1.135 2721 K CA -0.311 55.971 56.287 -0.009 0.000 0.960 2721 K CB 0.101 32.599 32.500 -0.003 0.000 1.374 2721 K HN 0.683 nan 8.250 nan 0.000 0.400 2722 L N 3.328 124.570 121.223 0.033 0.000 2.452 2722 L HA 0.579 4.919 4.340 0.001 0.000 0.267 2722 L C 1.144 178.036 176.870 0.036 0.000 1.188 2722 L CA 1.159 56.021 54.840 0.036 0.000 0.821 2722 L CB 0.588 42.663 42.059 0.027 0.000 1.102 2722 L HN 1.092 nan 8.230 nan 0.000 0.470 2723 G N 1.520 110.331 108.800 0.018 0.000 2.416 2723 G HA2 -0.176 3.785 3.960 0.001 0.000 0.203 2723 G HA3 -0.176 3.785 3.960 0.001 0.000 0.203 2723 G C -0.659 174.296 174.900 0.092 0.000 1.227 2723 G CA -0.820 44.251 45.100 -0.049 0.000 1.041 2723 G HN 0.391 nan 8.290 nan 0.000 0.546 2724 F N 0.269 120.246 119.950 0.044 0.000 2.471 2724 F HA 0.547 5.074 4.527 0.001 0.000 0.353 2724 F C 1.044 176.925 175.800 0.134 0.000 1.113 2724 F CA -0.513 57.532 58.000 0.074 0.000 1.262 2724 F CB 0.693 39.715 39.000 0.037 0.000 1.146 2724 F HN 0.460 nan 8.300 nan 0.000 0.578 2725 F N 2.160 122.223 119.950 0.188 0.000 2.272 2725 F HA 0.205 4.733 4.527 0.001 0.000 0.316 2725 F C 1.544 177.415 175.800 0.119 0.000 1.068 2725 F CA -0.460 57.559 58.000 0.031 0.000 1.114 2725 F CB 0.341 39.292 39.000 -0.081 0.000 1.611 2725 F HN 0.383 nan 8.300 nan 0.000 0.519 2726 H N -0.276 118.772 119.070 -0.037 0.000 2.275 2726 H HA 0.065 4.621 4.556 0.001 0.000 0.315 2726 H C -0.181 175.224 175.328 0.129 0.000 1.058 2726 H CA 0.873 56.914 56.048 -0.011 0.000 1.387 2726 H CB -1.360 28.328 29.762 -0.124 0.000 1.435 2726 H HN 0.414 nan 8.280 nan 0.000 0.530 2727 D N 2.272 122.880 120.400 0.348 0.000 2.210 2727 D HA 0.054 4.694 4.640 0.001 0.000 0.249 2727 D C -1.873 174.475 176.300 0.081 0.000 1.062 2727 D CA -1.728 52.383 54.000 0.185 0.000 0.891 2727 D CB 2.416 43.330 40.800 0.189 0.000 1.186 2727 D HN 0.143 nan 8.370 nan 0.000 0.432 2728 P HA 0.052 nan 4.420 nan 0.000 0.261 2728 P C 0.327 177.509 177.300 -0.198 0.000 1.268 2728 P CA -0.220 62.797 63.100 -0.139 0.000 0.833 2728 P CB 0.288 31.911 31.700 -0.128 0.000 1.231 2729 R N 2.558 122.964 120.500 -0.157 0.000 2.343 2729 R HA 0.246 4.587 4.340 0.001 0.000 0.326 2729 R C -2.410 173.709 176.300 -0.301 0.000 1.055 2729 R CA -2.401 53.575 56.100 -0.207 0.000 0.961 2729 R CB -1.168 29.078 30.300 -0.090 0.000 0.978 2729 R HN 0.015 nan 8.270 nan 0.000 0.443 2730 P HA -0.114 nan 4.420 nan 0.000 0.263 2730 P C -0.911 176.278 177.300 -0.184 0.000 1.168 2730 P CA 0.518 63.368 63.100 -0.416 0.000 0.759 2730 P CB 0.175 31.693 31.700 -0.302 0.000 0.782 2731 F N 4.439 124.358 119.950 -0.053 0.000 2.427 2731 F HA 0.277 4.804 4.527 0.001 0.000 0.352 2731 F C -1.501 174.306 175.800 0.012 0.000 1.100 2731 F CA -3.007 54.976 58.000 -0.028 0.000 1.191 2731 F CB -0.337 38.616 39.000 -0.078 0.000 1.128 2731 F HN 0.195 nan 8.300 nan 0.000 0.533 2732 P HA 0.271 nan 4.420 nan 0.000 0.282 2732 P C -1.140 176.228 177.300 0.112 0.000 1.274 2732 P CA -0.137 63.049 63.100 0.145 0.000 0.770 2732 P CB 0.962 32.743 31.700 0.134 0.000 0.867 2733 L N 3.045 124.318 121.223 0.085 0.000 2.342 2733 L HA 0.732 5.072 4.340 0.001 0.000 0.271 2733 L C -2.356 174.542 176.870 0.045 0.000 1.008 2733 L CA -3.155 51.724 54.840 0.065 0.000 0.818 2733 L CB 1.436 43.537 42.059 0.070 0.000 1.296 2733 L HN 0.122 nan 8.230 nan 0.000 0.427 2734 P HA -0.110 nan 4.420 nan 0.000 0.261 2734 P C 0.449 177.757 177.300 0.015 0.000 1.173 2734 P CA -0.119 62.994 63.100 0.022 0.000 0.760 2734 P CB 1.144 32.850 31.700 0.011 0.000 0.783 2735 L N 4.272 125.502 121.223 0.013 0.000 2.201 2735 L HA -0.148 4.193 4.340 0.001 0.000 0.212 2735 L C 2.618 179.482 176.870 -0.010 0.000 1.105 2735 L CA 2.196 57.038 54.840 0.004 0.000 0.775 2735 L CB -1.318 40.744 42.059 0.005 0.000 0.913 2735 L HN 0.531 nan 8.230 nan 0.000 0.440 2736 S N -0.964 114.729 115.700 -0.012 0.000 2.372 2736 S HA -0.223 4.248 4.470 0.001 0.000 0.227 2736 S C 1.753 176.322 174.600 -0.051 0.000 1.044 2736 S CA 1.590 59.776 58.200 -0.024 0.000 1.050 2736 S CB -0.963 62.226 63.200 -0.019 0.000 0.901 2736 S HN 0.744 nan 8.310 nan 0.000 0.447 2737 S N 2.047 117.711 115.700 -0.060 0.000 2.074 2737 S HA 0.409 4.880 4.470 0.001 0.000 0.169 2737 S C 0.554 175.071 174.600 -0.139 0.000 1.394 2737 S CA -0.014 58.110 58.200 -0.127 0.000 1.971 2737 S CB -1.232 61.922 63.200 -0.078 0.000 0.449 2737 S HN 1.095 nan 8.310 nan 0.000 0.364 2738 L N -0.577 120.590 121.223 -0.093 0.000 0.609 2738 L HA -0.140 4.200 4.340 0.001 0.000 0.356 2738 L C -1.065 175.754 176.870 -0.084 0.000 1.005 2738 L CA -0.219 54.637 54.840 0.026 0.000 1.222 2738 L CB -1.101 40.977 42.059 0.030 0.000 0.046 2738 L HN 0.601 nan 8.230 nan 0.000 0.101 2739 F N 1.025 120.990 119.950 0.025 0.000 2.432 2739 F HA 0.370 4.897 4.527 0.001 0.000 0.329 2739 F C 1.650 177.470 175.800 0.033 0.000 1.076 2739 F CA 0.293 58.311 58.000 0.029 0.000 1.018 2739 F CB 1.652 40.663 39.000 0.019 0.000 1.201 2739 F HN 0.549 nan 8.300 nan 0.000 0.489 2740 S N 0.484 116.300 115.700 0.194 0.000 2.377 2740 S HA -0.224 4.246 4.470 0.001 0.000 0.224 2740 S C 0.948 175.628 174.600 0.133 0.000 1.042 2740 S CA 1.925 60.206 58.200 0.135 0.000 1.086 2740 S CB -0.363 62.914 63.200 0.128 0.000 0.995 2740 S HN 0.789 nan 8.310 nan 0.000 0.428 2741 D N 0.615 121.102 120.400 0.145 0.000 2.895 2741 D HA 0.231 4.871 4.640 0.001 0.000 0.258 2741 D C 0.451 176.803 176.300 0.086 0.000 1.311 2741 D CA -0.151 53.906 54.000 0.095 0.000 0.843 2741 D CB -0.308 40.531 40.800 0.065 0.000 1.055 2741 D HN 0.372 nan 8.370 nan 0.000 0.486 2742 G N 0.109 108.998 108.800 0.148 0.000 3.678 2742 G HA2 0.466 4.426 3.960 0.001 0.000 0.287 2742 G HA3 0.466 4.426 3.960 0.001 0.000 0.287 2742 G C 0.851 175.782 174.900 0.052 0.000 1.280 2742 G CA -0.041 45.115 45.100 0.093 0.000 1.118 2742 G HN 0.597 nan 8.290 nan 0.000 0.563 2743 G N 0.619 109.439 108.800 0.034 0.000 2.856 2743 G HA2 -0.104 3.856 3.960 0.001 0.000 0.674 2743 G HA3 -0.104 3.856 3.960 0.001 0.000 0.674 2743 G C -0.058 174.863 174.900 0.034 0.000 1.519 2743 G CA -0.204 44.908 45.100 0.020 0.000 0.940 2743 G HN 1.214 nan 8.290 nan 0.000 0.564 2744 N N -0.609 118.103 118.700 0.021 0.000 2.518 2744 N HA 0.498 5.238 4.740 0.001 0.000 0.283 2744 N C 0.297 175.807 175.510 0.000 0.000 1.119 2744 N CA -0.209 52.852 53.050 0.019 0.000 0.983 2744 N CB 1.607 40.107 38.487 0.021 0.000 1.139 2744 N HN 0.755 nan 8.380 nan 0.000 0.465 2745 V N 1.104 121.018 119.914 -0.001 0.000 2.881 2745 V HA 0.391 4.511 4.120 0.001 0.000 0.303 2745 V C 1.512 177.553 176.094 -0.088 0.000 1.070 2745 V CA 0.367 62.651 62.300 -0.027 0.000 1.074 2745 V CB 1.109 32.928 31.823 -0.007 0.000 1.012 2745 V HN 0.989 nan 8.190 nan 0.000 0.482 2746 G N 0.841 109.555 108.800 -0.144 0.000 2.784 2746 G HA2 0.124 4.085 3.960 0.001 0.000 0.208 2746 G HA3 0.124 4.085 3.960 0.001 0.000 0.208 2746 G C 0.166 174.996 174.900 -0.118 0.000 1.120 2746 G CA 0.704 45.612 45.100 -0.320 0.000 0.774 2746 G HN 0.740 nan 8.290 nan 0.000 0.528 2747 C N 1.183 120.481 119.300 -0.002 0.000 2.832 2747 C HA 0.635 5.095 4.460 0.001 0.000 0.383 2747 C C -0.893 174.104 174.990 0.013 0.000 1.046 2747 C CA -0.820 58.255 59.018 0.095 0.000 1.242 2747 C CB 0.530 28.457 27.740 0.312 0.000 1.693 2747 C HN 0.491 nan 8.230 nan 0.000 0.497 2748 V N 2.669 122.543 119.914 -0.067 0.000 2.680 2748 V HA 0.669 4.790 4.120 0.001 0.000 0.309 2748 V C -0.469 175.590 176.094 -0.058 0.000 1.052 2748 V CA -0.153 62.124 62.300 -0.039 0.000 0.908 2748 V CB 1.995 33.796 31.823 -0.037 0.000 1.001 2748 V HN 0.801 nan 8.190 nan 0.000 0.431 2749 D N 2.735 123.138 120.400 0.006 0.000 2.930 2749 D HA 0.401 5.041 4.640 0.001 0.000 0.304 2749 D C 0.150 176.482 176.300 0.053 0.000 1.298 2749 D CA -0.001 54.013 54.000 0.022 0.000 0.949 2749 D CB 0.629 41.485 40.800 0.093 0.000 1.013 2749 D HN 0.505 nan 8.370 nan 0.000 0.510 2750 V N 1.019 120.944 119.914 0.018 0.000 3.489 2750 V HA 0.279 4.400 4.120 0.001 0.000 0.297 2750 V C 0.730 176.834 176.094 0.018 0.000 1.071 2750 V CA -0.729 61.591 62.300 0.033 0.000 1.074 2750 V CB 1.294 33.122 31.823 0.009 0.000 1.188 2750 V HN 0.293 nan 8.190 nan 0.000 0.458 2751 I N 0.776 121.362 120.570 0.028 0.000 2.867 2751 I HA 0.358 4.529 4.170 0.001 0.000 0.282 2751 I C -0.208 175.902 176.117 -0.011 0.000 1.437 2751 I CA -0.316 60.979 61.300 -0.008 0.000 0.918 2751 I CB 0.656 38.671 38.000 0.024 0.000 1.612 2751 I HN 0.364 nan 8.210 nan 0.000 0.592 2752 V N 7.590 127.510 119.914 0.010 0.000 3.102 2752 V HA -0.226 3.894 4.120 0.001 0.000 0.285 2752 V C 1.610 177.678 176.094 -0.043 0.000 1.168 2752 V CA 0.880 63.168 62.300 -0.020 0.000 1.284 2752 V CB -0.808 31.018 31.823 0.006 0.000 0.783 2752 V HN 0.694 nan 8.190 nan 0.000 0.425 2753 Q N 4.339 124.161 119.800 0.037 0.000 1.896 2753 Q HA 0.067 4.408 4.340 0.001 0.000 0.205 2753 Q C 0.933 177.033 176.000 0.167 0.000 0.978 2753 Q CA 1.280 57.168 55.803 0.141 0.000 0.850 2753 Q CB 0.152 28.978 28.738 0.146 0.000 0.908 2753 Q HN 0.673 nan 8.270 nan 0.000 0.431 2754 R N -0.427 120.169 120.500 0.161 0.000 2.919 2754 R HA 0.644 4.985 4.340 0.001 0.000 0.260 2754 R C -0.672 175.718 176.300 0.151 0.000 1.067 2754 R CA -0.945 55.229 56.100 0.123 0.000 1.003 2754 R CB 1.208 31.524 30.300 0.027 0.000 1.192 2754 R HN -0.024 nan 8.270 nan 0.000 0.488 2755 V N 1.984 121.934 119.914 0.059 0.000 2.588 2755 V HA 0.427 4.548 4.120 0.001 0.000 0.304 2755 V C -1.219 174.935 176.094 0.101 0.000 1.042 2755 V CA -0.810 61.616 62.300 0.210 0.000 0.877 2755 V CB 1.571 33.555 31.823 0.269 0.000 0.996 2755 V HN 0.496 nan 8.190 nan 0.000 0.425 2756 Y N 4.649 124.952 120.300 0.005 0.000 2.457 2756 Y HA 0.543 5.094 4.550 0.001 0.000 0.333 2756 Y C -1.936 174.000 175.900 0.060 0.000 1.119 2756 Y CA -3.167 54.885 58.100 -0.081 0.000 1.143 2756 Y CB 0.926 39.092 38.460 -0.490 0.000 1.230 2756 Y HN 0.415 nan 8.280 nan 0.000 0.469 2757 P HA -0.052 nan 4.420 nan 0.000 0.261 2757 P C -0.221 177.175 177.300 0.159 0.000 1.183 2757 P CA 0.145 63.324 63.100 0.132 0.000 0.761 2757 P CB 0.778 32.566 31.700 0.146 0.000 0.785 2758 L N 3.634 124.893 121.223 0.061 0.000 2.559 2758 L HA -0.048 4.292 4.340 0.001 0.000 0.282 2758 L C 0.529 177.478 176.870 0.132 0.000 1.232 2758 L CA 0.489 55.311 54.840 -0.030 0.000 0.885 2758 L CB 0.203 42.109 42.059 -0.255 0.000 1.131 2758 L HN 0.402 nan 8.230 nan 0.000 0.498 2759 Q N 5.358 125.173 119.800 0.025 0.000 2.337 2759 Q HA 0.283 4.624 4.340 0.001 0.000 0.266 2759 Q C -1.263 174.791 176.000 0.090 0.000 1.023 2759 Q CA -0.270 55.685 55.803 0.253 0.000 0.829 2759 Q CB 2.157 31.087 28.738 0.320 0.000 1.306 2759 Q HN 0.661 nan 8.270 nan 0.000 0.449 2760 W N 2.561 123.883 121.300 0.037 0.000 2.295 2760 W HA 0.290 4.950 4.660 0.001 0.000 0.333 2760 W C -0.126 176.354 176.519 -0.066 0.000 0.990 2760 W CA -0.646 56.693 57.345 -0.009 0.000 1.453 2760 W CB 1.283 30.742 29.460 -0.001 0.000 1.263 2760 W HN 0.247 nan 8.180 nan 0.000 0.380 2761 V N 5.055 124.943 119.914 -0.044 0.000 2.356 2761 V HA 0.086 4.206 4.120 0.001 0.000 0.258 2761 V C 0.237 176.273 176.094 -0.098 0.000 1.065 2761 V CA 0.031 62.131 62.300 -0.333 0.000 0.935 2761 V CB 0.757 32.049 31.823 -0.885 0.000 1.061 2761 V HN 0.471 nan 8.190 nan 0.000 0.484 2762 E N 6.066 126.251 120.200 -0.026 0.000 2.289 2762 E HA 0.234 4.585 4.350 0.001 0.000 0.278 2762 E C -0.345 176.315 176.600 0.099 0.000 1.032 2762 E CA -0.533 55.893 56.400 0.043 0.000 0.854 2762 E CB 0.645 30.361 29.700 0.027 0.000 1.046 2762 E HN 0.664 nan 8.360 nan 0.000 0.409 2763 K N 3.728 124.215 120.400 0.146 0.000 2.310 2763 K HA 0.132 4.452 4.320 0.001 0.000 0.290 2763 K C -0.027 176.577 176.600 0.007 0.000 1.077 2763 K CA -0.303 56.087 56.287 0.172 0.000 0.922 2763 K CB 0.787 33.401 32.500 0.191 0.000 1.057 2763 K HN 0.515 nan 8.250 nan 0.000 0.479 2764 T N 0.677 115.202 114.554 -0.049 0.000 2.649 2764 T HA -0.072 4.278 4.350 0.001 0.000 0.337 2764 T C 1.862 176.524 174.700 -0.064 0.000 1.070 2764 T CA -0.288 61.782 62.100 -0.049 0.000 1.052 2764 T CB 0.483 69.317 68.868 -0.058 0.000 0.994 2764 T HN 0.475 nan 8.240 nan 0.000 0.544 2765 V N -1.470 118.421 119.914 -0.038 0.000 2.436 2765 V HA 0.049 4.169 4.120 0.001 0.000 0.240 2765 V C 2.459 178.527 176.094 -0.043 0.000 1.040 2765 V CA 1.323 63.604 62.300 -0.032 0.000 1.052 2765 V CB -1.105 30.714 31.823 -0.008 0.000 0.707 2765 V HN 0.809 nan 8.190 nan 0.000 0.469 2766 S N 0.330 116.008 115.700 -0.037 0.000 2.555 2766 S HA 0.387 4.858 4.470 0.001 0.000 0.230 2766 S C 0.854 175.418 174.600 -0.060 0.000 0.978 2766 S CA 0.980 59.159 58.200 -0.036 0.000 0.934 2766 S CB -0.966 62.222 63.200 -0.019 0.000 0.766 2766 S HN 1.607 nan 8.310 nan 0.000 0.533 2767 G N -0.390 108.350 108.800 -0.100 0.000 2.361 2767 G HA2 0.350 4.310 3.960 0.001 0.000 0.331 2767 G HA3 0.350 4.310 3.960 0.001 0.000 0.331 2767 G C -0.177 174.581 174.900 -0.236 0.000 1.324 2767 G CA -0.298 44.706 45.100 -0.161 0.000 0.984 2767 G HN 1.558 nan 8.290 nan 0.000 0.586 2768 S N -1.929 113.552 115.700 -0.365 0.000 3.381 2768 S HA 0.056 4.526 4.470 0.001 0.000 0.636 2768 S C -0.072 174.134 174.600 -0.656 0.000 2.614 2768 S CA 1.649 59.604 58.200 -0.409 0.000 2.810 2768 S CB -1.028 62.138 63.200 -0.056 0.000 0.331 2768 S HN 2.345 nan 8.310 nan 0.000 1.788 2769 Y N -0.987 119.358 120.300 0.075 0.000 2.728 2769 Y HA 0.852 5.402 4.550 0.001 0.000 0.330 2769 Y C 0.146 176.063 175.900 0.029 0.000 1.234 2769 Y CA -1.281 56.820 58.100 0.001 0.000 1.070 2769 Y CB 1.030 39.430 38.460 -0.099 0.000 1.300 2769 Y HN 0.864 nan 8.280 nan 0.000 0.467 2770 I N 1.356 121.993 120.570 0.112 0.000 2.533 2770 I HA 0.368 4.538 4.170 0.001 0.000 0.290 2770 I C -1.650 174.465 176.117 -0.003 0.000 1.056 2770 I CA -0.559 60.820 61.300 0.132 0.000 1.057 2770 I CB 1.731 39.796 38.000 0.107 0.000 1.240 2770 I HN 0.307 nan 8.210 nan 0.000 0.423 2771 F N 5.091 125.135 119.950 0.157 0.000 2.436 2771 F HA 0.608 5.136 4.527 0.001 0.000 0.340 2771 F C 0.549 176.439 175.800 0.150 0.000 1.113 2771 F CA -0.435 57.657 58.000 0.153 0.000 1.022 2771 F CB 1.235 40.312 39.000 0.128 0.000 1.128 2771 F HN 0.278 nan 8.300 nan 0.000 0.466 2772 R N 1.772 122.458 120.500 0.309 0.000 2.950 2772 R HA 0.556 4.896 4.340 0.001 0.000 0.253 2772 R C -0.742 175.730 176.300 0.288 0.000 1.168 2772 R CA -1.306 54.936 56.100 0.237 0.000 1.014 2772 R CB 1.556 31.943 30.300 0.145 0.000 1.228 2772 R HN 0.559 nan 8.270 nan 0.000 0.487 2773 N N 0.370 119.179 118.700 0.182 0.000 2.592 2773 N HA 0.046 4.786 4.740 0.001 0.000 0.292 2773 N C 0.346 175.830 175.510 -0.044 0.000 1.260 2773 N CA -0.649 52.516 53.050 0.191 0.000 0.910 2773 N CB 0.781 39.351 38.487 0.139 0.000 1.257 2773 N HN 0.689 nan 8.380 nan 0.000 0.569 2774 E N -0.236 119.919 120.200 -0.074 0.000 2.219 2774 E HA -0.203 4.148 4.350 0.001 0.000 0.198 2774 E C 0.864 177.226 176.600 -0.397 0.000 0.998 2774 E CA 1.322 57.426 56.400 -0.493 0.000 0.818 2774 E CB 0.266 29.885 29.700 -0.135 0.000 0.741 2774 E HN 0.306 nan 8.360 nan 0.000 0.477 2775 R N 0.144 120.537 120.500 -0.179 0.000 2.087 2775 R HA 0.046 4.386 4.340 0.001 0.000 0.216 2775 R C 2.110 178.345 176.300 -0.107 0.000 1.114 2775 R CA 0.779 56.805 56.100 -0.124 0.000 1.002 2775 R CB -0.607 29.666 30.300 -0.045 0.000 0.903 2775 R HN 0.254 nan 8.270 nan 0.000 0.445 2776 E N 0.946 121.114 120.200 -0.054 0.000 2.273 2776 E HA -0.237 4.114 4.350 0.001 0.000 0.198 2776 E C 1.607 178.170 176.600 -0.062 0.000 1.002 2776 E CA 1.230 57.619 56.400 -0.018 0.000 0.828 2776 E CB 0.086 29.815 29.700 0.048 0.000 0.747 2776 E HN 0.230 nan 8.360 nan 0.000 0.491 2777 E N 1.070 121.167 120.200 -0.172 0.000 2.005 2777 E HA -0.175 4.176 4.350 0.001 0.000 0.191 2777 E C 1.830 178.328 176.600 -0.170 0.000 0.987 2777 E CA 1.059 57.319 56.400 -0.234 0.000 0.814 2777 E CB -0.026 29.329 29.700 -0.575 0.000 0.772 2777 E HN 0.062 nan 8.360 nan 0.000 0.453 2778 E N 0.978 121.058 120.200 -0.200 0.000 2.132 2778 E HA -0.327 4.024 4.350 0.001 0.000 0.218 2778 E C 2.004 178.570 176.600 -0.057 0.000 1.058 2778 E CA 1.649 57.977 56.400 -0.120 0.000 0.882 2778 E CB -0.437 29.195 29.700 -0.113 0.000 0.774 2778 E HN 0.246 nan 8.360 nan 0.000 0.467 2779 K N 0.469 120.841 120.400 -0.047 0.000 1.980 2779 K HA -0.252 4.068 4.320 0.001 0.000 0.223 2779 K C 1.976 178.581 176.600 0.009 0.000 1.052 2779 K CA 2.043 58.322 56.287 -0.013 0.000 0.974 2779 K CB -0.242 32.254 32.500 -0.008 0.000 0.734 2779 K HN -0.094 nan 8.250 nan 0.000 0.447 2780 E N -0.260 119.946 120.200 0.010 0.000 2.533 2780 E HA -0.058 4.292 4.350 0.001 0.000 0.201 2780 E C 0.823 177.456 176.600 0.055 0.000 1.097 2780 E CA 0.797 57.221 56.400 0.041 0.000 0.887 2780 E CB 0.089 29.808 29.700 0.031 0.000 0.855 2780 E HN 0.425 nan 8.360 nan 0.000 0.540 2781 A N -0.624 122.213 122.820 0.028 0.000 2.115 2781 A HA 0.186 4.507 4.320 0.001 0.000 0.211 2781 A C 1.765 179.416 177.584 0.111 0.000 1.169 2781 A CA 0.268 52.330 52.037 0.040 0.000 0.787 2781 A CB 0.121 19.101 19.000 -0.034 0.000 0.858 2781 A HN 0.335 nan 8.150 nan 0.000 0.474 2782 L N -1.642 119.629 121.223 0.080 0.000 2.445 2782 L HA 0.105 4.446 4.340 0.001 0.000 0.207 2782 L C 2.345 179.261 176.870 0.077 0.000 1.053 2782 L CA 0.629 55.511 54.840 0.069 0.000 0.841 2782 L CB -0.309 41.767 42.059 0.027 0.000 1.074 2782 L HN 0.342 nan 8.230 nan 0.000 0.479 2783 R N 1.217 121.762 120.500 0.076 0.000 2.226 2783 R HA -0.202 4.138 4.340 0.001 0.000 0.246 2783 R C 0.713 177.084 176.300 0.117 0.000 1.161 2783 R CA 1.080 57.223 56.100 0.072 0.000 0.997 2783 R CB -0.803 29.538 30.300 0.068 0.000 0.870 2783 R HN 0.183 nan 8.270 nan 0.000 0.465 2893 R N 2.019 122.384 120.500 -0.225 0.000 2.177 2893 R HA -0.019 4.322 4.340 0.001 0.000 0.221 2893 R C -0.060 176.161 176.300 -0.132 0.000 1.110 2893 R CA 2.204 58.114 56.100 -0.317 0.000 0.875 2893 R CB -1.112 28.988 30.300 -0.333 0.000 0.810 2893 R HN 0.625 nan 8.270 nan 0.000 0.437 2894 D N -1.410 118.951 120.400 -0.066 0.000 4.494 2894 D HA -0.132 4.508 4.640 0.001 0.000 0.243 2894 D C -1.398 174.913 176.300 0.018 0.000 1.082 2894 D CA 0.756 54.750 54.000 -0.010 0.000 1.170 2894 D CB -0.609 40.188 40.800 -0.005 0.000 0.792 2894 D HN 0.100 nan 8.370 nan 0.000 0.376 2895 V N 1.871 121.812 119.914 0.046 0.000 3.147 2895 V HA 0.850 4.971 4.120 0.001 0.000 0.299 2895 V C -1.135 175.016 176.094 0.095 0.000 1.302 2895 V CA 0.176 62.525 62.300 0.081 0.000 1.015 2895 V CB 2.515 34.400 31.823 0.103 0.000 1.086 2895 V HN 0.564 nan 8.190 nan 0.000 0.437 2896 S N 2.366 118.131 115.700 0.107 0.000 2.538 2896 S HA 0.654 5.125 4.470 0.001 0.000 0.288 2896 S C -0.359 174.226 174.600 -0.024 0.000 1.108 2896 S CA -0.204 58.060 58.200 0.107 0.000 0.971 2896 S CB 1.856 65.211 63.200 0.258 0.000 1.041 2896 S HN 1.231 nan 8.310 nan 0.000 0.483 2897 T N -0.234 114.177 114.554 -0.239 0.000 2.860 2897 T HA 0.574 4.924 4.350 0.001 0.000 0.299 2897 T C -0.230 174.218 174.700 -0.420 0.000 1.045 2897 T CA -0.532 61.225 62.100 -0.572 0.000 1.071 2897 T CB 0.306 68.681 68.868 -0.821 0.000 0.985 2897 T HN 0.357 nan 8.240 nan 0.000 0.537 2898 V N 2.314 121.924 119.914 -0.506 0.000 2.509 2898 V HA 0.313 4.434 4.120 0.001 0.000 0.289 2898 V C -1.235 174.683 176.094 -0.294 0.000 1.026 2898 V CA -1.047 60.875 62.300 -0.630 0.000 0.872 2898 V CB 1.235 32.504 31.823 -0.925 0.000 1.017 2898 V HN 1.020 nan 8.190 nan 0.000 0.436 2899 W N 6.660 127.708 121.300 -0.419 0.000 2.289 2899 W HA 0.539 5.199 4.660 0.001 0.000 0.342 2899 W C 0.086 176.435 176.519 -0.283 0.000 0.958 2899 W CA -1.474 55.691 57.345 -0.301 0.000 1.492 2899 W CB 0.538 29.846 29.460 -0.254 0.000 1.336 2899 W HN 0.482 nan 8.180 nan 0.000 0.371 2900 K N 5.503 125.768 120.400 -0.225 0.000 2.126 2900 K HA 0.650 4.970 4.320 0.001 0.000 0.257 2900 K C -0.578 175.697 176.600 -0.542 0.000 1.007 2900 K CA -0.677 55.343 56.287 -0.445 0.000 0.928 2900 K CB 1.102 33.326 32.500 -0.460 0.000 1.013 2900 K HN 0.509 nan 8.250 nan 0.000 0.473 2901 L N -1.370 119.523 121.223 -0.551 0.000 2.549 2901 L HA 0.498 4.839 4.340 0.001 0.000 0.259 2901 L C -0.852 175.832 176.870 -0.310 0.000 0.934 2901 L CA -1.167 53.448 54.840 -0.375 0.000 0.865 2901 L CB 1.713 43.497 42.059 -0.458 0.000 1.352 2901 L HN 0.496 nan 8.230 nan 0.000 0.410 2902 R N 2.503 122.913 120.500 -0.150 0.000 2.267 2902 R HA 0.723 5.063 4.340 0.001 0.000 0.319 2902 R C -0.722 175.566 176.300 -0.021 0.000 1.067 2902 R CA -0.377 55.673 56.100 -0.083 0.000 0.936 2902 R CB 1.186 31.518 30.300 0.054 0.000 1.006 2902 R HN 0.695 nan 8.270 nan 0.000 0.452 2903 V N 0.161 120.049 119.914 -0.044 0.000 3.102 2903 V HA 0.734 4.854 4.120 0.001 0.000 0.312 2903 V C -0.611 175.485 176.094 0.003 0.000 1.135 2903 V CA -0.780 61.508 62.300 -0.020 0.000 1.022 2903 V CB 2.007 33.801 31.823 -0.049 0.000 1.056 2903 V HN 0.739 nan 8.190 nan 0.000 0.436 2904 T N 1.045 115.614 114.554 0.025 0.000 2.916 2904 T HA 0.547 4.897 4.350 0.001 0.000 0.305 2904 T C -0.195 174.539 174.700 0.057 0.000 1.119 2904 T CA 0.168 62.290 62.100 0.037 0.000 1.008 2904 T CB 1.528 70.426 68.868 0.051 0.000 1.129 2904 T HN 1.684 nan 8.240 nan 0.000 0.480 2905 S N 3.732 119.464 115.700 0.053 0.000 2.546 2905 S HA 0.063 4.533 4.470 0.001 0.000 0.290 2905 S C 0.986 175.664 174.600 0.131 0.000 1.290 2905 S CA -0.418 57.828 58.200 0.076 0.000 1.069 2905 S CB -0.053 63.175 63.200 0.046 0.000 0.846 2905 S HN 0.827 nan 8.310 nan 0.000 0.495 2906 Y N 2.904 123.204 120.300 0.000 0.000 2.403 2906 Y HA -0.176 4.374 4.550 0.001 0.000 0.291 2906 Y C 2.107 178.010 175.900 0.004 0.000 1.143 2906 Y CA 1.493 59.593 58.100 0.001 0.000 1.257 2906 Y CB -0.025 38.432 38.460 -0.004 0.000 0.984 2906 Y HN 0.842 nan 8.280 nan 0.000 0.550 2907 K N 0.426 120.805 120.400 -0.035 0.000 1.992 2907 K HA -0.131 4.189 4.320 0.001 0.000 0.225 2907 K C 0.913 177.439 176.600 -0.124 0.000 1.020 2907 K CA 1.763 57.974 56.287 -0.126 0.000 1.042 2907 K CB 0.114 32.587 32.500 -0.045 0.000 0.772 2907 K HN 0.137 nan 8.250 nan 0.000 0.444 2908 K N -1.932 118.434 120.400 -0.057 0.000 2.367 2908 K HA 0.231 4.552 4.320 0.001 0.000 0.314 2908 K C 1.509 178.100 176.600 -0.015 0.000 0.977 2908 K CA -0.498 55.764 56.287 -0.042 0.000 0.829 2908 K CB 0.126 32.599 32.500 -0.044 0.000 3.516 2908 K HN 0.066 nan 8.250 nan 0.000 1.221 2909 R N 1.723 122.215 120.500 -0.013 0.000 2.310 2909 R HA -0.313 4.027 4.340 0.001 0.000 0.188 2909 R C -0.485 175.815 176.300 0.000 0.000 1.034 2909 R CA 2.459 58.555 56.100 -0.007 0.000 0.330 2909 R CB -1.277 29.018 30.300 -0.007 0.000 0.678 2909 R HN 0.835 nan 8.270 nan 0.000 0.243 2910 E N -1.023 119.179 120.200 0.004 0.000 7.503 2910 E HA -0.145 4.206 4.350 0.001 0.000 0.240 2910 E C -0.777 175.825 176.600 0.003 0.000 0.847 2910 E CA 0.766 57.173 56.400 0.012 0.000 1.600 2910 E CB -0.635 29.079 29.700 0.024 0.000 0.902 2910 E HN 0.503 nan 8.360 nan 0.000 0.263 2911 K N 2.347 122.747 120.400 0.000 0.000 2.373 2911 K HA 0.082 4.403 4.320 0.001 0.000 0.202 2911 K C -0.272 176.323 176.600 -0.008 0.000 1.025 2911 K CA 0.538 56.818 56.287 -0.010 0.000 1.115 2911 K CB 0.139 32.629 32.500 -0.016 0.000 0.858 2911 K HN 0.927 nan 8.250 nan 0.000 0.525 2912 S N -0.253 115.450 115.700 0.004 0.000 4.026 2912 S HA -0.229 4.241 4.470 0.001 0.000 0.305 2912 S C -0.090 174.504 174.600 -0.010 0.000 0.787 2912 S CA 0.266 58.471 58.200 0.007 0.000 1.314 2912 S CB -1.333 61.878 63.200 0.020 0.000 1.849 2912 S HN 0.355 nan 8.310 nan 0.000 0.444 2913 A N 3.180 125.988 122.820 -0.019 0.000 2.239 2913 A HA 0.863 5.183 4.320 0.001 0.000 0.303 2913 A C 0.129 177.674 177.584 -0.065 0.000 1.114 2913 A CA -0.725 51.291 52.037 -0.034 0.000 0.871 2913 A CB 0.708 19.690 19.000 -0.030 0.000 1.201 2913 A HN 1.732 nan 8.150 nan 0.000 0.506 2914 L N 1.086 122.260 121.223 -0.081 0.000 2.495 2914 L HA 0.368 4.708 4.340 0.001 0.000 0.248 2914 L C -0.544 176.237 176.870 -0.149 0.000 1.229 2914 L CA -0.554 54.199 54.840 -0.146 0.000 0.942 2914 L CB 0.605 42.587 42.059 -0.129 0.000 1.242 2914 L HN 0.681 nan 8.230 nan 0.000 0.484 2915 L N 2.125 123.249 121.223 -0.164 0.000 2.525 2915 L HA 0.292 4.632 4.340 0.001 0.000 0.278 2915 L C -0.152 176.592 176.870 -0.209 0.000 1.218 2915 L CA 0.845 55.593 54.840 -0.154 0.000 0.878 2915 L CB 0.554 42.512 42.059 -0.167 0.000 1.127 2915 L HN 0.583 nan 8.230 nan 0.000 0.492 2916 S N 6.730 122.356 115.700 -0.123 0.000 2.622 2916 S HA 0.539 5.010 4.470 0.001 0.000 0.283 2916 S C -0.104 174.438 174.600 -0.098 0.000 1.197 2916 S CA -0.420 57.685 58.200 -0.157 0.000 1.146 2916 S CB 0.124 63.299 63.200 -0.041 0.000 1.007 2916 S HN 0.575 nan 8.310 nan 0.000 0.478 2917 I N 2.818 123.272 120.570 -0.193 0.000 2.371 2917 I HA 0.284 4.454 4.170 0.001 0.000 0.290 2917 I C -0.453 175.623 176.117 -0.068 0.000 1.028 2917 I CA -0.290 60.983 61.300 -0.045 0.000 1.345 2917 I CB 0.664 38.614 38.000 -0.084 0.000 1.407 2917 I HN 0.540 nan 8.210 nan 0.000 0.501 2918 W N 4.892 126.190 121.300 -0.003 0.000 2.509 2918 W HA 0.481 5.141 4.660 0.001 0.000 0.351 2918 W C 0.791 177.299 176.519 -0.018 0.000 1.107 2918 W CA -0.553 56.780 57.345 -0.020 0.000 1.264 2918 W CB 0.527 29.969 29.460 -0.030 0.000 1.312 2918 W HN 0.400 nan 8.180 nan 0.000 0.608 2919 R N -0.103 120.521 120.500 0.206 0.000 3.460 2919 R HA -0.223 4.117 4.340 0.001 0.000 0.254 2919 R C -2.289 174.048 176.300 0.061 0.000 1.028 2919 R CA -0.073 56.084 56.100 0.094 0.000 0.688 2919 R CB -2.127 28.242 30.300 0.114 0.000 1.062 2919 R HN 0.151 nan 8.270 nan 0.000 0.463 2920 P HA -0.104 nan 4.420 nan 0.000 0.264 2920 P C 0.067 177.389 177.300 0.037 0.000 1.173 2920 P CA 0.569 63.714 63.100 0.074 0.000 0.761 2920 P CB 0.713 32.488 31.700 0.125 0.000 0.794 2921 S N 1.690 117.423 115.700 0.055 0.000 2.545 2921 S HA 0.119 4.589 4.470 0.001 0.000 0.275 2921 S C 1.390 175.990 174.600 0.001 0.000 1.299 2921 S CA -0.341 57.878 58.200 0.032 0.000 1.048 2921 S CB 0.051 63.283 63.200 0.053 0.000 0.938 2921 S HN 0.363 nan 8.310 nan 0.000 0.496 2922 S N 3.588 119.279 115.700 -0.016 0.000 2.407 2922 S HA -0.158 4.312 4.470 0.001 0.000 0.235 2922 S C 0.783 175.357 174.600 -0.043 0.000 1.036 2922 S CA 1.822 59.997 58.200 -0.042 0.000 1.013 2922 S CB -0.461 62.723 63.200 -0.026 0.000 0.820 2922 S HN 0.839 nan 8.310 nan 0.000 0.476 2923 D N 0.378 120.769 120.400 -0.014 0.000 2.338 2923 D HA 0.134 4.774 4.640 0.001 0.000 0.239 2923 D C 1.230 177.525 176.300 -0.008 0.000 1.095 2923 D CA 0.050 54.046 54.000 -0.007 0.000 0.888 2923 D CB -0.004 40.804 40.800 0.014 0.000 0.899 2923 D HN 0.176 nan 8.370 nan 0.000 0.525 2924 L N 0.272 121.486 121.223 -0.015 0.000 2.189 2924 L HA 0.192 4.533 4.340 0.001 0.000 0.199 2924 L C -0.949 175.950 176.870 0.050 0.000 1.074 2924 L CA 0.943 55.788 54.840 0.009 0.000 0.783 2924 L CB -0.885 41.218 42.059 0.073 0.000 0.955 2924 L HN -0.101 nan 8.230 nan 0.000 0.460 2925 P HA -0.165 nan 4.420 nan 0.000 0.216 2925 P C 1.677 178.908 177.300 -0.115 0.000 1.154 2925 P CA 1.810 64.682 63.100 -0.379 0.000 0.865 2925 P CB 0.013 31.414 31.700 -0.499 0.000 0.789 2926 S N -1.476 114.179 115.700 -0.075 0.000 2.474 2926 S HA -0.073 4.398 4.470 0.001 0.000 0.235 2926 S C 1.452 176.066 174.600 0.024 0.000 0.997 2926 S CA 0.516 58.700 58.200 -0.026 0.000 0.949 2926 S CB -0.683 62.503 63.200 -0.024 0.000 0.766 2926 S HN 0.020 nan 8.310 nan 0.000 0.517 2927 L N 1.355 122.599 121.223 0.036 0.000 2.255 2927 L HA 0.407 4.747 4.340 0.001 0.000 0.196 2927 L C 0.080 177.010 176.870 0.101 0.000 1.202 2927 L CA 0.896 55.778 54.840 0.069 0.000 0.819 2927 L CB -1.083 40.982 42.059 0.010 0.000 1.006 2927 L HN 0.131 nan 8.230 nan 0.000 0.480 2928 L N 2.116 123.265 121.223 -0.123 0.000 2.700 2928 L HA 0.130 4.470 4.340 0.001 0.000 0.276 2928 L C -0.493 176.422 176.870 0.075 0.000 1.200 2928 L CA 0.594 55.219 54.840 -0.359 0.000 0.951 2928 L CB -0.948 40.755 42.059 -0.593 0.000 1.226 2928 L HN 0.606 nan 8.230 nan 0.000 0.489 2929 T N -0.173 114.495 114.554 0.190 0.000 3.109 2929 T HA 0.326 4.676 4.350 0.001 0.000 0.311 2929 T C -0.342 174.406 174.700 0.079 0.000 1.011 2929 T CA -1.120 61.067 62.100 0.145 0.000 1.026 2929 T CB 1.221 70.157 68.868 0.114 0.000 1.047 2929 T HN 0.545 nan 8.240 nan 0.000 0.448 2930 E N 1.244 121.456 120.200 0.020 0.000 2.636 2930 E HA 0.177 4.527 4.350 0.001 0.000 0.278 2930 E C 1.492 177.875 176.600 -0.361 0.000 1.064 2930 E CA 1.312 57.643 56.400 -0.114 0.000 1.011 2930 E CB -0.198 29.510 29.700 0.013 0.000 1.029 2930 E HN 1.300 nan 8.360 nan 0.000 0.463 2931 G N 0.976 109.179 108.800 -0.994 0.000 2.257 2931 G HA2 -0.290 3.670 3.960 0.001 0.000 0.267 2931 G HA3 -0.290 3.670 3.960 0.001 0.000 0.267 2931 G C 0.042 174.643 174.900 -0.498 0.000 0.984 2931 G CA 0.403 44.750 45.100 -1.254 0.000 0.626 2931 G HN 0.365 nan 8.290 nan 0.000 0.540 2932 Q N -0.052 119.562 119.800 -0.310 0.000 2.245 2932 Q HA 0.540 4.880 4.340 0.001 0.000 0.256 2932 Q C 0.326 176.126 176.000 -0.333 0.000 0.942 2932 Q CA -0.726 54.896 55.803 -0.301 0.000 0.896 2932 Q CB 1.544 30.103 28.738 -0.298 0.000 1.272 2932 Q HN 0.548 nan 8.270 nan 0.000 0.442 2933 R N 2.002 122.225 120.500 -0.461 0.000 2.234 2933 R HA 0.380 4.721 4.340 0.001 0.000 0.324 2933 R C -1.204 174.775 176.300 -0.534 0.000 1.054 2933 R CA 0.071 55.919 56.100 -0.420 0.000 0.912 2933 R CB 0.346 30.354 30.300 -0.487 0.000 1.030 2933 R HN 0.479 nan 8.270 nan 0.000 0.455 2934 Y N 2.022 122.225 120.300 -0.162 0.000 2.576 2934 Y HA 0.392 4.942 4.550 0.001 0.000 0.346 2934 Y C -0.249 175.566 175.900 -0.142 0.000 1.018 2934 Y CA -1.046 56.982 58.100 -0.120 0.000 1.050 2934 Y CB 1.999 40.412 38.460 -0.079 0.000 1.280 2934 Y HN 0.456 nan 8.280 nan 0.000 0.474 2935 R N 2.611 123.116 120.500 0.009 0.000 2.352 2935 R HA 0.571 4.912 4.340 0.001 0.000 0.304 2935 R C -1.848 174.193 176.300 -0.431 0.000 1.104 2935 R CA -0.464 55.519 56.100 -0.196 0.000 0.991 2935 R CB 0.075 30.260 30.300 -0.191 0.000 1.140 2935 R HN 0.643 nan 8.270 nan 0.000 0.540 2936 I N 3.942 124.299 120.570 -0.356 0.000 2.532 2936 I HA 0.240 4.410 4.170 0.001 0.000 0.292 2936 I C -0.509 175.259 176.117 -0.581 0.000 1.014 2936 I CA -0.234 60.823 61.300 -0.406 0.000 1.340 2936 I CB 0.643 38.542 38.000 -0.168 0.000 1.422 2936 I HN 0.401 nan 8.210 nan 0.000 0.528 2937 Y N 3.440 123.670 120.300 -0.117 0.000 2.468 2937 Y HA 0.352 4.903 4.550 0.001 0.000 0.342 2937 Y C 0.460 176.400 175.900 0.067 0.000 1.021 2937 Y CA -1.166 56.925 58.100 -0.014 0.000 1.079 2937 Y CB 0.793 39.331 38.460 0.130 0.000 1.226 2937 Y HN 0.633 nan 8.280 nan 0.000 0.460 2938 H N -0.564 118.564 119.070 0.096 0.000 2.845 2938 H HA -0.209 4.348 4.556 0.001 0.000 0.296 2938 H C -0.080 175.238 175.328 -0.018 0.000 1.116 2938 H CA 0.522 56.577 56.048 0.013 0.000 1.162 2938 H CB -1.440 28.315 29.762 -0.012 0.000 1.338 2938 H HN 0.352 nan 8.280 nan 0.000 0.370 2939 L N 0.582 121.825 121.223 0.035 0.000 2.415 2939 L HA 0.415 4.756 4.340 0.001 0.000 0.269 2939 L C -0.104 176.772 176.870 0.010 0.000 1.244 2939 L CA 0.561 55.400 54.840 -0.001 0.000 1.113 2939 L CB -0.275 41.756 42.059 -0.046 0.000 1.352 2939 L HN 0.285 nan 8.230 nan 0.000 0.433 2940 S N 1.857 117.575 115.700 0.030 0.000 2.790 2940 S HA 0.811 5.282 4.470 0.001 0.000 0.292 2940 S C -0.090 174.532 174.600 0.037 0.000 1.197 2940 S CA -0.058 58.159 58.200 0.028 0.000 0.851 2940 S CB 2.040 65.250 63.200 0.018 0.000 1.217 2940 S HN 0.222 nan 8.310 nan 0.000 0.526 2941 V N -0.297 119.638 119.914 0.035 0.000 2.029 2941 V HA -0.092 4.028 4.120 0.001 0.000 0.494 2941 V C -0.678 175.442 176.094 0.043 0.000 2.745 2941 V CA 0.494 62.815 62.300 0.035 0.000 3.620 2941 V CB -1.388 30.456 31.823 0.036 0.000 1.079 2941 V HN 1.132 nan 8.190 nan 0.000 1.072 2942 S N 1.808 117.535 115.700 0.045 0.000 4.049 2942 S HA -0.191 4.279 4.470 0.001 0.000 0.368 2942 S C 0.029 174.663 174.600 0.057 0.000 0.773 2942 S CA 1.849 60.080 58.200 0.050 0.000 1.294 2942 S CB -0.337 62.898 63.200 0.058 0.000 1.880 2942 S HN 0.719 nan 8.310 nan 0.000 0.482 2943 K N 1.152 121.586 120.400 0.056 0.000 2.041 2943 K HA 0.720 5.040 4.320 0.001 0.000 0.277 2943 K C 0.567 177.203 176.600 0.059 0.000 0.965 2943 K CA -0.569 55.754 56.287 0.060 0.000 1.138 2943 K CB 0.396 32.934 32.500 0.064 0.000 3.194 2943 K HN 0.543 nan 8.250 nan 0.000 1.085 2944 S N 0.313 116.048 115.700 0.058 0.000 3.487 2944 S HA -0.162 4.308 4.470 0.001 0.000 0.856 2944 S C 0.170 174.808 174.600 0.063 0.000 1.210 2944 S CA 1.352 59.584 58.200 0.053 0.000 0.866 2944 S CB -0.008 63.215 63.200 0.038 0.000 0.589 2944 S HN 0.775 nan 8.310 nan 0.000 0.279 2945 K N 1.789 122.229 120.400 0.066 0.000 2.026 2945 K HA -0.053 4.268 4.320 0.001 0.000 0.125 2945 K C 0.484 177.133 176.600 0.083 0.000 2.119 2945 K CA 0.672 57.012 56.287 0.088 0.000 1.133 2945 K CB -1.090 31.465 32.500 0.092 0.000 2.262 2945 K HN 0.861 nan 8.250 nan 0.000 0.449 2946 N N 2.288 121.027 118.700 0.065 0.000 2.221 2946 N HA -0.116 4.624 4.740 0.001 0.000 0.239 2946 N C 0.738 176.290 175.510 0.070 0.000 1.328 2946 N CA 1.483 54.567 53.050 0.058 0.000 0.878 2946 N CB 0.529 39.046 38.487 0.050 0.000 1.083 2946 N HN 0.198 nan 8.380 nan 0.000 0.471 2947 K N -1.995 118.450 120.400 0.074 0.000 3.238 2947 K HA -0.230 4.090 4.320 0.001 0.000 0.187 2947 K C -0.781 175.921 176.600 0.169 0.000 0.809 2947 K CA 1.885 58.262 56.287 0.150 0.000 0.511 2947 K CB -1.706 30.887 32.500 0.154 0.000 0.762 2947 K HN 0.499 nan 8.250 nan 0.000 0.754 2948 F N 1.530 121.460 119.950 -0.032 0.000 2.594 2948 F HA 0.404 4.931 4.527 0.001 0.000 0.335 2948 F C 0.951 176.715 175.800 -0.061 0.000 1.058 2948 F CA -0.047 57.928 58.000 -0.041 0.000 0.981 2948 F CB 1.520 40.470 39.000 -0.084 0.000 1.289 2948 F HN 0.512 nan 8.300 nan 0.000 0.490 2949 E N 0.400 120.634 120.200 0.057 0.000 3.440 2949 E HA -0.340 4.010 4.350 0.001 0.000 0.328 2949 E C 0.306 176.960 176.600 0.091 0.000 1.514 2949 E CA 2.457 58.723 56.400 -0.223 0.000 1.926 2949 E CB -1.097 28.290 29.700 -0.521 0.000 1.874 2949 E HN 0.914 nan 8.360 nan 0.000 0.471 2950 W N -2.500 118.810 121.300 0.017 0.000 1.169 2950 W HA 0.251 4.912 4.660 0.001 0.000 0.147 2950 W C -2.003 174.513 176.519 -0.006 0.000 0.671 2950 W CA 0.382 57.729 57.345 0.003 0.000 0.621 2950 W CB -0.906 28.551 29.460 -0.005 0.000 0.679 2950 W HN 0.261 nan 8.180 nan 0.000 0.482 2951 P HA 0.109 nan 4.420 nan 0.000 0.249 2951 P C 0.097 177.372 177.300 -0.042 0.000 1.686 2951 P CA 0.970 64.034 63.100 -0.059 0.000 0.873 2951 P CB 0.479 32.072 31.700 -0.178 0.000 1.828 2952 S N 1.060 116.765 115.700 0.008 0.000 2.328 2952 S HA 0.320 4.791 4.470 0.001 0.000 0.204 2952 S C 0.168 174.784 174.600 0.026 0.000 1.475 2952 S CA -0.779 57.424 58.200 0.005 0.000 1.148 2952 S CB -0.410 62.795 63.200 0.007 0.000 1.077 2952 S HN 0.035 nan 8.310 nan 0.000 0.479 2953 I N 2.772 123.352 120.570 0.016 0.000 3.337 2953 I HA 0.491 4.662 4.170 0.001 0.000 0.246 2953 I C 0.101 176.229 176.117 0.019 0.000 1.235 2953 I CA 0.099 61.413 61.300 0.024 0.000 0.805 2953 I CB 0.814 38.822 38.000 0.012 0.000 1.684 2953 I HN 0.698 nan 8.210 nan 0.000 0.868 2954 Q N 2.161 121.974 119.800 0.021 0.000 3.775 2954 Q HA 0.264 4.605 4.340 0.001 0.000 0.163 2954 Q C -1.998 174.016 176.000 0.024 0.000 0.819 2954 Q CA -0.545 55.269 55.803 0.019 0.000 0.893 2954 Q CB 0.116 28.875 28.738 0.034 0.000 1.515 2954 Q HN 0.454 nan 8.270 nan 0.000 0.482 2955 L N 1.637 122.864 121.223 0.006 0.000 2.483 2955 L HA 0.403 4.743 4.340 0.001 0.000 0.276 2955 L C 0.256 177.140 176.870 0.024 0.000 1.213 2955 L CA 1.019 55.864 54.840 0.009 0.000 0.843 2955 L CB 1.020 43.070 42.059 -0.015 0.000 1.107 2955 L HN 0.490 nan 8.230 nan 0.000 0.487 2956 T N 1.743 116.327 114.554 0.050 0.000 3.050 2956 T HA 0.601 4.952 4.350 0.001 0.000 0.310 2956 T C -0.066 174.692 174.700 0.097 0.000 0.978 2956 T CA -0.682 61.480 62.100 0.102 0.000 1.013 2956 T CB 1.327 70.285 68.868 0.150 0.000 1.000 2956 T HN 0.818 nan 8.240 nan 0.000 0.447 2957 A N 3.286 126.166 122.820 0.100 0.000 2.609 2957 A HA 0.464 4.785 4.320 0.001 0.000 0.232 2957 A C 0.971 178.611 177.584 0.093 0.000 1.041 2957 A CA 0.343 52.435 52.037 0.092 0.000 0.753 2957 A CB -0.206 18.884 19.000 0.150 0.000 0.966 2957 A HN 0.971 nan 8.150 nan 0.000 0.510 2958 T N -0.653 113.932 114.554 0.051 0.000 2.916 2958 T HA 0.575 4.925 4.350 0.001 0.000 0.292 2958 T C 0.772 175.479 174.700 0.011 0.000 1.064 2958 T CA -0.671 61.451 62.100 0.037 0.000 1.011 2958 T CB 1.279 70.170 68.868 0.039 0.000 1.152 2958 T HN 0.494 nan 8.240 nan 0.000 0.510 2959 K N 0.679 121.078 120.400 -0.002 0.000 2.071 2959 K HA -0.183 4.137 4.320 0.001 0.000 0.217 2959 K C 2.166 178.733 176.600 -0.056 0.000 1.054 2959 K CA 2.071 58.346 56.287 -0.020 0.000 0.937 2959 K CB -0.351 32.132 32.500 -0.029 0.000 0.719 2959 K HN 0.649 nan 8.250 nan 0.000 0.454 2960 R N 0.693 121.133 120.500 -0.101 0.000 2.275 2960 R HA 0.041 4.381 4.340 0.001 0.000 0.199 2960 R C -0.220 175.942 176.300 -0.230 0.000 0.989 2960 R CA 0.233 56.203 56.100 -0.216 0.000 1.016 2960 R CB 0.028 30.101 30.300 -0.377 0.000 0.918 2960 R HN 0.104 nan 8.270 nan 0.000 0.473 2961 T N 1.697 116.186 114.554 -0.110 0.000 2.934 2961 T HA -0.035 4.316 4.350 0.001 0.000 0.321 2961 T C -0.212 174.339 174.700 -0.248 0.000 1.080 2961 T CA 0.715 62.748 62.100 -0.111 0.000 1.132 2961 T CB 0.802 69.593 68.868 -0.129 0.000 1.039 2961 T HN 0.300 nan 8.240 nan 0.000 0.543 2962 Q N 0.566 120.175 119.800 -0.318 0.000 2.462 2962 Q HA 0.449 4.790 4.340 0.001 0.000 0.285 2962 Q C -1.670 173.967 176.000 -0.605 0.000 1.035 2962 Q CA -0.861 54.718 55.803 -0.373 0.000 0.799 2962 Q CB 2.173 30.912 28.738 0.002 0.000 1.452 2962 Q HN 0.648 nan 8.270 nan 0.000 0.404 2963 Y N 0.486 120.813 120.300 0.045 0.000 2.364 2963 Y HA 0.420 4.970 4.550 0.001 0.000 0.340 2963 Y C -0.381 175.562 175.900 0.072 0.000 0.975 2963 Y CA -0.694 57.401 58.100 -0.008 0.000 1.089 2963 Y CB 1.872 40.289 38.460 -0.071 0.000 1.192 2963 Y HN 0.402 nan 8.280 nan 0.000 0.454 2964 Q N 3.160 123.064 119.800 0.173 0.000 2.290 2964 Q HA 0.271 4.611 4.340 0.001 0.000 0.269 2964 Q C -1.332 174.756 176.000 0.147 0.000 1.016 2964 Q CA -0.810 55.089 55.803 0.160 0.000 0.754 2964 Q CB 1.674 30.497 28.738 0.142 0.000 1.247 2964 Q HN 0.814 nan 8.270 nan 0.000 0.451 2965 Q N 4.266 124.137 119.800 0.118 0.000 2.304 2965 Q HA 0.432 4.772 4.340 0.001 0.000 0.260 2965 Q C -1.375 174.532 176.000 -0.154 0.000 0.965 2965 Q CA -0.043 55.692 55.803 -0.114 0.000 0.898 2965 Q CB 0.673 29.314 28.738 -0.163 0.000 1.196 2965 Q HN 0.628 nan 8.270 nan 0.000 0.402 2966 L N 6.551 127.621 121.223 -0.255 0.000 2.408 2966 L HA 0.565 4.906 4.340 0.001 0.000 0.268 2966 L C -2.183 174.532 176.870 -0.257 0.000 0.986 2966 L CA -2.444 52.274 54.840 -0.202 0.000 0.820 2966 L CB 2.022 43.978 42.059 -0.171 0.000 1.303 2966 L HN 0.663 nan 8.230 nan 0.000 0.411 2967 P HA 0.045 nan 4.420 nan 0.000 0.267 2967 P C -1.067 176.128 177.300 -0.176 0.000 1.201 2967 P CA -0.027 62.982 63.100 -0.151 0.000 0.775 2967 P CB 1.127 32.778 31.700 -0.081 0.000 0.854 2968 V N 0.337 120.173 119.914 -0.130 0.000 2.709 2968 V HA 0.253 4.374 4.120 0.001 0.000 0.308 2968 V C 0.215 176.318 176.094 0.016 0.000 1.062 2968 V CA -0.833 61.419 62.300 -0.079 0.000 0.901 2968 V CB 1.716 33.469 31.823 -0.118 0.000 1.003 2968 V HN 0.444 nan 8.190 nan 0.000 0.425 2969 S N 2.615 118.369 115.700 0.089 0.000 2.443 2969 S HA 0.127 4.597 4.470 0.001 0.000 0.284 2969 S C 1.569 176.211 174.600 0.070 0.000 1.206 2969 S CA 0.194 58.438 58.200 0.074 0.000 1.074 2969 S CB 0.915 64.166 63.200 0.087 0.000 0.963 2969 S HN 1.227 nan 8.310 nan 0.000 0.501 2970 S N 4.059 119.788 115.700 0.047 0.000 2.472 2970 S HA -0.428 4.043 4.470 0.001 0.000 0.292 2970 S C 1.795 176.431 174.600 0.059 0.000 1.175 2970 S CA 2.184 60.413 58.200 0.048 0.000 1.249 2970 S CB -1.025 62.195 63.200 0.034 0.000 1.208 2970 S HN 0.917 nan 8.310 nan 0.000 0.442 2971 E N 1.599 121.829 120.200 0.049 0.000 2.058 2971 E HA -0.203 4.147 4.350 0.001 0.000 0.194 2971 E C 2.306 178.941 176.600 0.059 0.000 0.997 2971 E CA 1.743 58.169 56.400 0.044 0.000 0.801 2971 E CB -1.359 28.359 29.700 0.030 0.000 0.746 2971 E HN 0.879 nan 8.360 nan 0.000 0.450 2972 T N 0.080 114.680 114.554 0.076 0.000 2.720 2972 T HA -0.200 4.151 4.350 0.001 0.000 0.268 2972 T C 1.932 176.719 174.700 0.145 0.000 1.037 2972 T CA 1.299 63.458 62.100 0.099 0.000 1.144 2972 T CB -0.386 68.574 68.868 0.153 0.000 0.864 2972 T HN 0.161 nan 8.240 nan 0.000 0.444 2973 L N 0.547 121.862 121.223 0.153 0.000 2.023 2973 L HA 0.319 4.659 4.340 0.001 0.000 0.205 2973 L C 2.197 179.169 176.870 0.170 0.000 1.073 2973 L CA 1.380 56.322 54.840 0.169 0.000 0.745 2973 L CB -1.182 40.960 42.059 0.138 0.000 0.900 2973 L HN 0.311 nan 8.230 nan 0.000 0.435 2974 L N -0.406 120.889 121.223 0.120 0.000 2.642 2974 L HA -0.151 4.190 4.340 0.001 0.000 0.236 2974 L C 2.170 179.071 176.870 0.052 0.000 1.169 2974 L CA 1.373 56.257 54.840 0.073 0.000 0.851 2974 L CB -0.685 41.401 42.059 0.045 0.000 0.968 2974 L HN 0.599 nan 8.230 nan 0.000 0.453 2975 Q N -1.950 117.893 119.800 0.071 0.000 2.392 2975 Q HA 0.092 4.433 4.340 0.001 0.000 0.219 2975 Q C 1.466 177.501 176.000 0.058 0.000 0.895 2975 Q CA 0.405 56.237 55.803 0.047 0.000 0.929 2975 Q CB 0.389 29.149 28.738 0.037 0.000 1.077 2975 Q HN 0.592 nan 8.270 nan 0.000 0.532 2976 L N -1.130 120.155 121.223 0.103 0.000 2.730 2976 L HA 0.263 4.603 4.340 0.001 0.000 0.236 2976 L C -0.169 176.802 176.870 0.167 0.000 1.061 2976 L CA -0.248 54.663 54.840 0.118 0.000 0.898 2976 L CB 0.551 42.695 42.059 0.142 0.000 1.270 2976 L HN 0.070 nan 8.230 nan 0.000 0.500 2977 Y N 1.960 122.280 120.300 0.033 0.000 2.331 2977 Y HA 0.518 5.069 4.550 0.001 0.000 0.338 2977 Y C -0.314 175.597 175.900 0.018 0.000 0.976 2977 Y CA -1.139 56.977 58.100 0.026 0.000 1.137 2977 Y CB 1.117 39.595 38.460 0.029 0.000 1.172 2977 Y HN -0.044 nan 8.280 nan 0.000 0.478 2978 Q N 8.863 128.397 119.800 -0.443 0.000 2.413 2978 Q HA 0.500 4.840 4.340 0.001 0.000 0.258 2978 Q C -2.725 172.887 176.000 -0.646 0.000 1.037 2978 Q CA -2.378 53.152 55.803 -0.454 0.000 0.764 2978 Q CB 1.205 29.823 28.738 -0.199 0.000 1.217 2978 Q HN 0.457 nan 8.270 nan 0.000 0.490 2979 P HA -0.139 nan 4.420 nan 0.000 0.274 2979 P C -0.882 176.310 177.300 -0.179 0.000 1.224 2979 P CA 0.369 63.164 63.100 -0.508 0.000 0.803 2979 P CB 0.508 32.046 31.700 -0.270 0.000 0.876 2980 R N 1.470 121.956 120.500 -0.023 0.000 2.272 2980 R HA 0.100 4.441 4.340 0.001 0.000 0.334 2980 R C 1.068 177.404 176.300 0.060 0.000 1.117 2980 R CA -0.056 56.068 56.100 0.040 0.000 0.966 2980 R CB -0.003 30.364 30.300 0.111 0.000 1.049 2980 R HN 0.587 nan 8.270 nan 0.000 0.477 2981 E N 3.227 123.434 120.200 0.012 0.000 3.099 2981 E HA 0.339 4.689 4.350 0.001 0.000 0.259 2981 E C -0.735 175.842 176.600 -0.039 0.000 1.274 2981 E CA -0.754 55.645 56.400 -0.002 0.000 1.111 2981 E CB 0.756 30.440 29.700 -0.026 0.000 1.327 2981 E HN 0.271 nan 8.360 nan 0.000 0.652 2982 L N 1.488 122.655 121.223 -0.094 0.000 2.372 2982 L HA 0.264 4.605 4.340 0.001 0.000 0.274 2982 L C -0.624 176.176 176.870 -0.116 0.000 0.988 2982 L CA -1.052 53.684 54.840 -0.174 0.000 0.833 2982 L CB 1.854 43.740 42.059 -0.289 0.000 1.236 2982 L HN 0.564 nan 8.230 nan 0.000 0.410 2983 L N 7.115 128.275 121.223 -0.105 0.000 2.597 2983 L HA 0.212 4.553 4.340 0.001 0.000 0.271 2983 L C -2.057 174.768 176.870 -0.074 0.000 1.157 2983 L CA -0.616 54.157 54.840 -0.113 0.000 0.928 2983 L CB 0.565 42.544 42.059 -0.134 0.000 1.216 2983 L HN 0.384 nan 8.230 nan 0.000 0.481 2984 P HA 0.113 nan 4.420 nan 0.000 0.288 2984 P C 0.611 177.959 177.300 0.081 0.000 1.363 2984 P CA -0.480 62.650 63.100 0.050 0.000 0.837 2984 P CB 0.519 32.198 31.700 -0.036 0.000 0.981 2985 F N 1.829 121.728 119.950 -0.086 0.000 2.079 2985 F HA -0.328 4.199 4.527 0.001 0.000 0.296 2985 F C 2.657 178.380 175.800 -0.128 0.000 1.084 2985 F CA 2.384 60.346 58.000 -0.064 0.000 1.236 2985 F CB -2.131 36.892 39.000 0.038 0.000 0.984 2985 F HN 0.323 nan 8.300 nan 0.000 0.488 2986 S N -0.476 115.287 115.700 0.106 0.000 2.462 2986 S HA -0.227 4.243 4.470 0.001 0.000 0.243 2986 S C 1.984 176.484 174.600 -0.166 0.000 1.003 2986 S CA 1.113 59.273 58.200 -0.068 0.000 0.970 2986 S CB -0.353 62.838 63.200 -0.014 0.000 0.762 2986 S HN 0.332 nan 8.310 nan 0.000 0.510 2987 K N 1.527 121.752 120.400 -0.292 0.000 2.031 2987 K HA 0.189 4.509 4.320 0.001 0.000 0.205 2987 K C 2.013 178.272 176.600 -0.568 0.000 1.049 2987 K CA 0.962 56.868 56.287 -0.634 0.000 0.939 2987 K CB -0.863 30.925 32.500 -1.188 0.000 0.717 2987 K HN 0.458 nan 8.250 nan 0.000 0.438 2988 L N 1.340 122.345 121.223 -0.364 0.000 2.661 2988 L HA -0.138 4.202 4.340 0.001 0.000 0.236 2988 L C 1.296 178.211 176.870 0.075 0.000 1.176 2988 L CA 0.720 55.550 54.840 -0.017 0.000 0.836 2988 L CB -0.311 41.771 42.059 0.039 0.000 0.960 2988 L HN 0.016 nan 8.230 nan 0.000 0.455 2989 S N -2.073 113.614 115.700 -0.023 0.000 2.629 2989 S HA 0.056 4.526 4.470 0.001 0.000 0.236 2989 S C 0.125 174.736 174.600 0.018 0.000 1.010 2989 S CA -0.448 57.759 58.200 0.011 0.000 0.981 2989 S CB 0.239 63.414 63.200 -0.041 0.000 0.919 2989 S HN 0.342 nan 8.310 nan 0.000 0.514 2990 D N 1.483 121.893 120.400 0.018 0.000 2.198 2990 D HA 0.356 4.996 4.640 0.001 0.000 0.245 2990 D C -1.780 174.590 176.300 0.117 0.000 1.079 2990 D CA -2.082 51.942 54.000 0.041 0.000 0.854 2990 D CB 1.508 42.310 40.800 0.002 0.000 1.148 2990 D HN -0.156 nan 8.370 nan 0.000 0.456 2991 P HA -0.203 nan 4.420 nan 0.000 0.208 2991 P C 0.980 178.353 177.300 0.122 0.000 1.180 2991 P CA 1.957 65.120 63.100 0.105 0.000 0.935 2991 P CB -0.032 31.707 31.700 0.066 0.000 0.785 2992 A N -1.427 121.446 122.820 0.087 0.000 2.214 2992 A HA -0.198 4.122 4.320 0.001 0.000 0.221 2992 A C 0.956 178.596 177.584 0.092 0.000 1.167 2992 A CA 0.634 52.715 52.037 0.072 0.000 0.670 2992 A CB -1.854 17.175 19.000 0.050 0.000 0.797 2992 A HN 0.204 nan 8.150 nan 0.000 0.477 2993 F N 0.605 120.517 119.950 -0.064 0.000 2.541 2993 F HA 0.370 4.897 4.527 0.001 0.000 0.378 2993 F C 0.453 176.088 175.800 -0.275 0.000 1.068 2993 F CA -0.149 57.746 58.000 -0.175 0.000 1.199 2993 F CB 0.143 39.012 39.000 -0.219 0.000 1.091 2993 F HN 0.316 nan 8.300 nan 0.000 0.555 2994 Q N 9.315 128.628 119.800 -0.812 0.000 2.589 2994 Q HA 0.356 4.697 4.340 0.001 0.000 0.245 2994 Q C -2.752 172.688 176.000 -0.934 0.000 0.931 2994 Q CA -2.063 53.227 55.803 -0.854 0.000 0.730 2994 Q CB 1.448 30.020 28.738 -0.276 0.000 1.315 2994 Q HN 0.419 nan 8.270 nan 0.000 0.469 2995 P HA 0.236 nan 4.420 nan 0.000 0.275 2995 P C -2.604 174.504 177.300 -0.320 0.000 1.227 2995 P CA -1.306 61.323 63.100 -0.785 0.000 0.781 2995 P CB 0.453 31.635 31.700 -0.863 0.000 0.906 2996 P HA -0.044 nan 4.420 nan 0.000 0.261 2996 P C 0.012 177.306 177.300 -0.009 0.000 1.183 2996 P CA 0.388 63.443 63.100 -0.074 0.000 0.761 2996 P CB -0.342 31.318 31.700 -0.067 0.000 0.785 2997 C N 2.290 121.606 119.300 0.028 0.000 4.365 2997 C HA -0.160 4.301 4.460 0.001 0.000 0.299 2997 C C 1.290 176.345 174.990 0.108 0.000 1.409 2997 C CA 0.612 59.676 59.018 0.077 0.000 2.007 2997 C CB -3.486 24.323 27.740 0.116 0.000 1.264 2997 C HN 0.770 nan 8.230 nan 0.000 0.777 2998 S N -0.242 115.533 115.700 0.124 0.000 3.312 2998 S HA -0.234 4.236 4.470 0.001 0.000 0.388 2998 S C 0.186 174.953 174.600 0.278 0.000 1.020 2998 S CA 1.960 60.335 58.200 0.292 0.000 1.127 2998 S CB -0.556 62.776 63.200 0.220 0.000 0.892 2998 S HN 0.927 nan 8.310 nan 0.000 0.475 2999 E N -0.943 119.360 120.200 0.172 0.000 2.336 2999 E HA 0.736 5.086 4.350 0.001 0.000 0.267 2999 E C -0.367 176.290 176.600 0.095 0.000 0.906 2999 E CA -0.920 55.577 56.400 0.161 0.000 0.781 2999 E CB 2.264 32.055 29.700 0.151 0.000 1.261 2999 E HN 0.216 nan 8.360 nan 0.000 0.436 3000 V N -1.817 118.151 119.914 0.091 0.000 3.178 3000 V HA 0.556 4.676 4.120 0.001 0.000 0.302 3000 V C -1.642 174.468 176.094 0.027 0.000 1.262 3000 V CA -1.055 61.272 62.300 0.046 0.000 1.030 3000 V CB 2.314 34.165 31.823 0.047 0.000 1.074 3000 V HN 0.546 nan 8.190 nan 0.000 0.438 3001 D N 1.727 122.138 120.400 0.018 0.000 2.256 3001 D HA 0.756 5.396 4.640 0.001 0.000 0.246 3001 D C -0.170 176.113 176.300 -0.028 0.000 1.042 3001 D CA -0.044 53.991 54.000 0.058 0.000 0.841 3001 D CB 2.359 43.267 40.800 0.180 0.000 1.223 3001 D HN 1.105 nan 8.370 nan 0.000 0.470 3002 V N -1.393 118.516 119.914 -0.007 0.000 3.167 3002 V HA 0.849 4.969 4.120 0.001 0.000 0.310 3002 V C -0.950 175.147 176.094 0.005 0.000 1.207 3002 V CA -0.762 61.499 62.300 -0.065 0.000 1.059 3002 V CB 2.264 34.027 31.823 -0.101 0.000 1.079 3002 V HN 0.260 nan 8.190 nan 0.000 0.446 3003 V N 0.623 120.570 119.914 0.054 0.000 2.697 3003 V HA 0.943 5.063 4.120 0.001 0.000 0.300 3003 V C 0.284 176.512 176.094 0.223 0.000 1.115 3003 V CA 0.579 62.937 62.300 0.097 0.000 0.912 3003 V CB 1.210 32.992 31.823 -0.068 0.000 1.024 3003 V HN 1.643 nan 8.190 nan 0.000 0.431 3004 G N 2.418 111.363 108.800 0.241 0.000 2.576 3004 G HA2 0.579 4.539 3.960 0.001 0.000 0.290 3004 G HA3 0.579 4.539 3.960 0.001 0.000 0.290 3004 G C -1.651 173.366 174.900 0.195 0.000 1.442 3004 G CA -0.602 44.642 45.100 0.240 0.000 0.792 3004 G HN 0.505 nan 8.290 nan 0.000 0.491 3005 V N 1.060 121.064 119.914 0.150 0.000 2.408 3005 V HA 0.268 4.388 4.120 0.001 0.000 0.267 3005 V C 0.768 176.980 176.094 0.197 0.000 1.047 3005 V CA -0.539 61.852 62.300 0.152 0.000 0.937 3005 V CB 1.065 32.971 31.823 0.139 0.000 0.999 3005 V HN 0.549 nan 8.190 nan 0.000 0.472 3006 V N 6.381 126.408 119.914 0.189 0.000 2.599 3006 V HA 0.006 4.127 4.120 0.001 0.000 0.300 3006 V C 1.116 177.311 176.094 0.168 0.000 1.034 3006 V CA 1.041 63.456 62.300 0.192 0.000 1.115 3006 V CB 1.306 33.219 31.823 0.151 0.000 0.934 3006 V HN 0.870 nan 8.190 nan 0.000 0.485 3007 V N 1.776 121.798 119.914 0.181 0.000 3.645 3007 V HA 0.493 4.613 4.120 0.001 0.000 0.275 3007 V C 0.389 176.531 176.094 0.080 0.000 1.356 3007 V CA 0.779 63.156 62.300 0.129 0.000 1.051 3007 V CB 0.486 32.379 31.823 0.117 0.000 0.828 3007 V HN 1.095 nan 8.190 nan 0.000 0.441 3008 S N -1.113 114.654 115.700 0.112 0.000 2.697 3008 S HA 0.504 4.975 4.470 0.001 0.000 0.313 3008 S C -1.352 173.330 174.600 0.136 0.000 0.954 3008 S CA -0.278 57.958 58.200 0.059 0.000 0.831 3008 S CB 0.779 63.943 63.200 -0.059 0.000 1.030 3008 S HN 0.631 nan 8.310 nan 0.000 0.466 3009 V N 2.933 122.888 119.914 0.068 0.000 2.417 3009 V HA 0.664 4.784 4.120 0.001 0.000 0.291 3009 V C -0.311 175.804 176.094 0.035 0.000 1.024 3009 V CA -0.560 61.768 62.300 0.047 0.000 0.861 3009 V CB 1.544 33.339 31.823 -0.047 0.000 0.985 3009 V HN 0.874 nan 8.190 nan 0.000 0.436 3010 V N 5.349 125.307 119.914 0.074 0.000 2.417 3010 V HA 0.476 4.597 4.120 0.001 0.000 0.291 3010 V C 0.052 176.151 176.094 0.008 0.000 1.024 3010 V CA -0.822 61.510 62.300 0.054 0.000 0.861 3010 V CB 1.718 33.614 31.823 0.122 0.000 0.985 3010 V HN 0.858 nan 8.190 nan 0.000 0.436 3011 K N 3.971 124.364 120.400 -0.012 0.000 2.961 3011 K HA 0.380 4.700 4.320 0.001 0.000 0.187 3011 K C -2.546 174.048 176.600 -0.010 0.000 1.110 3011 K CA -1.393 54.877 56.287 -0.029 0.000 0.968 3011 K CB 0.729 33.198 32.500 -0.050 0.000 1.287 3011 K HN 0.502 nan 8.250 nan 0.000 0.578 3012 P HA -0.108 nan 4.420 nan 0.000 0.266 3012 P C -0.191 177.113 177.300 0.007 0.000 1.186 3012 P CA -0.318 62.789 63.100 0.011 0.000 0.767 3012 P CB 0.398 32.111 31.700 0.022 0.000 0.820 3013 I N 1.509 122.083 120.570 0.008 0.000 2.588 3013 I HA 0.343 4.513 4.170 0.001 0.000 0.283 3013 I C 1.228 177.353 176.117 0.012 0.000 1.119 3013 I CA 1.751 63.055 61.300 0.007 0.000 1.419 3013 I CB -0.280 37.724 38.000 0.007 0.000 1.394 3013 I HN 0.749 nan 8.210 nan 0.000 0.562 3014 G N 6.018 114.825 108.800 0.013 0.000 2.780 3014 G HA2 -0.087 3.874 3.960 0.001 0.000 0.237 3014 G HA3 -0.087 3.874 3.960 0.001 0.000 0.237 3014 G C -0.523 174.389 174.900 0.020 0.000 1.965 3014 G CA -0.074 45.036 45.100 0.018 0.000 1.577 3014 G HN 0.741 nan 8.290 nan 0.000 0.543 3015 L N -0.375 120.861 121.223 0.022 0.000 2.794 3015 L HA 0.597 4.938 4.340 0.001 0.000 0.261 3015 L C 0.075 176.960 176.870 0.025 0.000 0.989 3015 L CA -0.134 54.721 54.840 0.025 0.000 0.900 3015 L CB 2.152 44.234 42.059 0.038 0.000 1.473 3015 L HN 2.495 nan 8.230 nan 0.000 0.414 3016 A N 0.720 123.552 122.820 0.020 0.000 4.223 3016 A HA 0.009 4.330 4.320 0.001 0.000 0.204 3016 A C -2.739 174.846 177.584 0.000 0.000 1.197 3016 A CA -0.869 51.176 52.037 0.014 0.000 0.863 3016 A CB -2.113 16.904 19.000 0.029 0.000 0.929 3016 A HN 0.343 nan 8.150 nan 0.000 0.505 3017 P HA 0.490 nan 4.420 nan 0.000 0.269 3017 P C 0.057 177.339 177.300 -0.030 0.000 1.217 3017 P CA 0.215 63.277 63.100 -0.062 0.000 0.783 3017 P CB 0.478 32.082 31.700 -0.161 0.000 0.898 3018 L N 0.749 121.951 121.223 -0.034 0.000 2.371 3018 L HA 0.624 4.964 4.340 0.001 0.000 0.262 3018 L C -0.795 176.076 176.870 0.002 0.000 1.006 3018 L CA -1.086 53.756 54.840 0.004 0.000 0.818 3018 L CB 2.452 44.536 42.059 0.042 0.000 1.354 3018 L HN -0.012 nan 8.230 nan 0.000 0.415 3019 V N 1.597 121.533 119.914 0.036 0.000 2.629 3019 V HA 0.249 4.370 4.120 0.001 0.000 0.263 3019 V C -1.068 175.118 176.094 0.154 0.000 0.959 3019 V CA -0.546 61.822 62.300 0.113 0.000 0.869 3019 V CB 0.999 32.866 31.823 0.074 0.000 1.060 3019 V HN 0.411 nan 8.190 nan 0.000 0.474 3020 Y N 4.383 124.755 120.300 0.120 0.000 2.442 3020 Y HA 0.457 5.008 4.550 0.001 0.000 0.330 3020 Y C 0.585 176.593 175.900 0.181 0.000 1.129 3020 Y CA 0.078 58.263 58.100 0.143 0.000 1.365 3020 Y CB 0.435 38.957 38.460 0.103 0.000 1.233 3020 Y HN 0.403 nan 8.280 nan 0.000 0.529 3021 L N 1.460 122.896 121.223 0.354 0.000 2.260 3021 L HA 0.797 5.138 4.340 0.001 0.000 0.265 3021 L C -0.100 176.983 176.870 0.356 0.000 1.015 3021 L CA -1.078 53.981 54.840 0.366 0.000 0.826 3021 L CB 1.989 44.312 42.059 0.440 0.000 1.373 3021 L HN 0.573 nan 8.230 nan 0.000 0.450 3022 S N -0.397 115.457 115.700 0.257 0.000 2.543 3022 S HA 0.402 4.872 4.470 0.001 0.000 0.274 3022 S C -2.176 172.303 174.600 -0.202 0.000 1.149 3022 S CA -0.840 57.389 58.200 0.049 0.000 0.866 3022 S CB 1.665 64.931 63.200 0.110 0.000 1.111 3022 S HN 0.733 nan 8.310 nan 0.000 0.457 3023 D N 1.924 122.048 120.400 -0.460 0.000 2.392 3023 D HA 0.302 4.943 4.640 0.001 0.000 0.246 3023 D C 1.356 177.557 176.300 -0.166 0.000 1.013 3023 D CA -0.589 53.130 54.000 -0.468 0.000 0.993 3023 D CB 0.538 40.858 40.800 -0.799 0.000 1.219 3023 D HN 0.661 nan 8.370 nan 0.000 0.538 3024 E N 0.087 120.212 120.200 -0.125 0.000 2.208 3024 E HA -0.241 4.110 4.350 0.001 0.000 0.202 3024 E C 1.084 177.661 176.600 -0.037 0.000 1.014 3024 E CA 1.187 57.575 56.400 -0.020 0.000 0.819 3024 E CB -0.958 28.692 29.700 -0.083 0.000 0.735 3024 E HN 0.420 nan 8.360 nan 0.000 0.469 3025 C N 0.599 119.761 119.300 -0.231 0.000 2.576 3025 C HA 0.247 4.707 4.460 0.001 0.000 0.267 3025 C C 1.296 176.075 174.990 -0.352 0.000 1.364 3025 C CA -0.173 58.610 59.018 -0.391 0.000 1.723 3025 C CB -1.687 25.562 27.740 -0.818 0.000 1.778 3025 C HN 0.499 nan 8.230 nan 0.000 0.572 3026 L N -0.456 120.649 121.223 -0.197 0.000 4.232 3026 L HA -0.182 4.159 4.340 0.001 0.000 0.415 3026 L C -0.084 176.779 176.870 -0.011 0.000 1.168 3026 L CA 0.664 55.416 54.840 -0.147 0.000 0.966 3026 L CB -1.788 40.141 42.059 -0.216 0.000 2.052 3026 L HN 0.508 nan 8.230 nan 0.000 0.887 3027 H N 0.389 119.405 119.070 -0.091 0.000 2.767 3027 H HA 0.518 5.074 4.556 0.001 0.000 0.316 3027 H C 0.463 175.821 175.328 0.050 0.000 1.059 3027 H CA -0.119 55.914 56.048 -0.024 0.000 1.461 3027 H CB 0.509 30.252 29.762 -0.031 0.000 1.475 3027 H HN 0.210 nan 8.280 nan 0.000 0.531 3028 L N 3.937 125.306 121.223 0.243 0.000 2.400 3028 L HA 0.562 4.903 4.340 0.001 0.000 0.264 3028 L C 0.225 177.304 176.870 0.347 0.000 1.061 3028 L CA -0.771 54.240 54.840 0.285 0.000 0.799 3028 L CB 1.309 43.502 42.059 0.223 0.000 1.240 3028 L HN 0.432 nan 8.230 nan 0.000 0.461 3029 L N -0.206 121.219 121.223 0.338 0.000 2.838 3029 L HA 0.776 5.116 4.340 0.001 0.000 0.266 3029 L C -1.912 175.025 176.870 0.112 0.000 1.040 3029 L CA -0.635 54.323 54.840 0.196 0.000 0.906 3029 L CB 2.326 44.441 42.059 0.093 0.000 1.501 3029 L HN 0.344 nan 8.230 nan 0.000 0.407 3030 V N 1.232 121.136 119.914 -0.016 0.000 3.078 3030 V HA 0.681 4.801 4.120 0.001 0.000 0.311 3030 V C -0.929 175.102 176.094 -0.107 0.000 1.138 3030 V CA -0.596 61.590 62.300 -0.190 0.000 1.007 3030 V CB 2.266 33.864 31.823 -0.375 0.000 1.045 3030 V HN 0.550 nan 8.190 nan 0.000 0.432 3031 V N 2.437 122.289 119.914 -0.103 0.000 2.447 3031 V HA 0.419 4.540 4.120 0.001 0.000 0.292 3031 V C -0.291 175.767 176.094 -0.060 0.000 1.021 3031 V CA -0.947 61.324 62.300 -0.048 0.000 0.850 3031 V CB 1.601 33.469 31.823 0.075 0.000 1.005 3031 V HN 0.793 nan 8.190 nan 0.000 0.426 3032 K N 4.091 124.381 120.400 -0.184 0.000 2.258 3032 K HA 0.538 4.859 4.320 0.001 0.000 0.284 3032 K C -1.015 175.241 176.600 -0.573 0.000 1.051 3032 K CA -0.322 55.827 56.287 -0.231 0.000 0.923 3032 K CB 1.042 33.428 32.500 -0.190 0.000 1.046 3032 K HN 0.411 nan 8.250 nan 0.000 0.474 3033 F N 0.332 119.982 119.950 -0.501 0.000 2.396 3033 F HA 0.214 4.741 4.527 0.001 0.000 0.343 3033 F C 1.435 176.919 175.800 -0.526 0.000 1.104 3033 F CA -0.046 57.652 58.000 -0.503 0.000 1.161 3033 F CB 1.558 40.375 39.000 -0.305 0.000 1.146 3033 F HN 0.714 nan 8.300 nan 0.000 0.522 3034 G N 3.360 111.936 108.800 -0.373 0.000 2.673 3034 G HA2 0.120 4.081 3.960 0.001 0.000 0.208 3034 G HA3 0.120 4.081 3.960 0.001 0.000 0.208 3034 G C 0.780 175.724 174.900 0.074 0.000 1.128 3034 G CA 0.126 45.209 45.100 -0.028 0.000 0.805 3034 G HN 0.579 nan 8.290 nan 0.000 0.526 3035 I N -1.630 118.995 120.570 0.092 0.000 3.846 3035 I HA 0.454 4.625 4.170 0.001 0.000 0.233 3035 I C -0.807 175.393 176.117 0.139 0.000 1.435 3035 I CA -0.902 60.478 61.300 0.134 0.000 0.795 3035 I CB 0.517 38.614 38.000 0.161 0.000 1.760 3035 I HN -0.212 nan 8.210 nan 0.000 0.818 3036 D N 1.450 121.919 120.400 0.115 0.000 2.181 3036 D HA 0.382 5.022 4.640 0.001 0.000 0.248 3036 D C -0.425 175.865 176.300 -0.016 0.000 1.020 3036 D CA -0.376 53.648 54.000 0.040 0.000 0.891 3036 D CB 2.359 43.181 40.800 0.037 0.000 1.187 3036 D HN 0.372 nan 8.370 nan 0.000 0.443 3037 L N 2.443 123.565 121.223 -0.168 0.000 2.638 3037 L HA -0.023 4.317 4.340 0.001 0.000 0.273 3037 L C 0.758 177.531 176.870 -0.161 0.000 1.147 3037 L CA -0.185 54.459 54.840 -0.326 0.000 0.941 3037 L CB -0.503 41.315 42.059 -0.403 0.000 1.251 3037 L HN 0.126 nan 8.230 nan 0.000 0.479 3038 N N 3.604 122.246 118.700 -0.098 0.000 2.977 3038 N HA -0.165 4.575 4.740 0.001 0.000 0.204 3038 N C 0.617 176.121 175.510 -0.010 0.000 1.808 3038 N CA 0.450 53.502 53.050 0.004 0.000 1.001 3038 N CB -0.343 38.206 38.487 0.104 0.000 1.377 3038 N HN 0.644 nan 8.380 nan 0.000 0.491 3039 E N -1.269 118.903 120.200 -0.046 0.000 3.414 3039 E HA -0.316 4.035 4.350 0.001 0.000 0.386 3039 E C -0.564 176.021 176.600 -0.026 0.000 1.447 3039 E CA 1.819 58.199 56.400 -0.033 0.000 1.430 3039 E CB -1.233 28.462 29.700 -0.008 0.000 1.533 3039 E HN 0.383 nan 8.360 nan 0.000 0.423 3040 D N 1.098 121.500 120.400 0.003 0.000 2.479 3040 D HA 0.184 4.824 4.640 0.001 0.000 0.253 3040 D C 0.267 176.585 176.300 0.029 0.000 1.278 3040 D CA 0.723 54.733 54.000 0.018 0.000 1.145 3040 D CB -0.057 40.764 40.800 0.035 0.000 1.118 3040 D HN 0.292 nan 8.370 nan 0.000 0.513 3041 I N 0.795 121.364 120.570 -0.001 0.000 4.481 3041 I HA 0.031 4.201 4.170 0.001 0.000 0.353 3041 I C 0.181 176.295 176.117 -0.004 0.000 1.296 3041 I CA -0.273 61.026 61.300 -0.002 0.000 1.228 3041 I CB 0.195 38.131 38.000 -0.106 0.000 1.725 3041 I HN -0.004 nan 8.210 nan 0.000 0.608 3042 K N 2.149 122.548 120.400 -0.001 0.000 2.234 3042 K HA 0.181 4.501 4.320 0.001 0.000 0.251 3042 K C -2.270 174.351 176.600 0.036 0.000 1.011 3042 K CA -1.195 55.095 56.287 0.006 0.000 0.889 3042 K CB -0.319 32.183 32.500 0.004 0.000 1.011 3042 K HN -0.062 nan 8.250 nan 0.000 0.505 3043 P HA -0.034 nan 4.420 nan 0.000 0.270 3043 P C -0.410 176.928 177.300 0.062 0.000 1.221 3043 P CA 0.296 63.432 63.100 0.060 0.000 0.788 3043 P CB 0.443 32.173 31.700 0.049 0.000 0.904 3044 R N -2.028 118.519 120.500 0.078 0.000 3.884 3044 R HA -0.140 4.201 4.340 0.001 0.000 0.464 3044 R C -0.394 175.942 176.300 0.061 0.000 0.963 3044 R CA 0.874 57.015 56.100 0.067 0.000 1.408 3044 R CB -2.987 27.343 30.300 0.050 0.000 2.054 3044 R HN 0.255 nan 8.270 nan 0.000 0.522 3045 V N 2.334 122.292 119.914 0.074 0.000 2.405 3045 V HA 0.169 4.289 4.120 0.001 0.000 0.264 3045 V C 0.610 176.766 176.094 0.105 0.000 1.048 3045 V CA -0.457 61.891 62.300 0.080 0.000 0.966 3045 V CB 0.852 32.725 31.823 0.084 0.000 1.015 3045 V HN 0.049 nan 8.190 nan 0.000 0.477 3046 L N 7.016 128.292 121.223 0.089 0.000 2.565 3046 L HA 0.177 4.518 4.340 0.001 0.000 0.275 3046 L C 0.209 177.165 176.870 0.142 0.000 1.137 3046 L CA 0.748 55.650 54.840 0.103 0.000 0.915 3046 L CB -0.000 42.100 42.059 0.070 0.000 1.232 3046 L HN 0.392 nan 8.230 nan 0.000 0.473 3047 I N 3.373 124.058 120.570 0.191 0.000 2.440 3047 I HA 0.449 4.620 4.170 0.001 0.000 0.294 3047 I C 0.425 176.673 176.117 0.218 0.000 0.995 3047 I CA -0.458 60.990 61.300 0.246 0.000 1.306 3047 I CB 1.464 39.690 38.000 0.376 0.000 1.407 3047 I HN 0.590 nan 8.210 nan 0.000 0.501 3048 A N 5.910 128.846 122.820 0.193 0.000 2.311 3048 A HA 0.824 5.145 4.320 0.001 0.000 0.306 3048 A C -0.428 177.163 177.584 0.012 0.000 1.189 3048 A CA -0.507 51.689 52.037 0.264 0.000 0.791 3048 A CB 1.044 20.281 19.000 0.396 0.000 1.172 3048 A HN 0.770 nan 8.150 nan 0.000 0.481 3049 A N 1.873 124.677 122.820 -0.026 0.000 2.337 3049 A HA 0.853 5.173 4.320 0.001 0.000 0.329 3049 A C -0.061 177.464 177.584 -0.099 0.000 1.146 3049 A CA -0.466 51.319 52.037 -0.420 0.000 0.800 3049 A CB 1.138 19.677 19.000 -0.768 0.000 1.220 3049 A HN 0.917 nan 8.150 nan 0.000 0.472 3050 S N 0.875 116.458 115.700 -0.195 0.000 2.538 3050 S HA 0.547 5.018 4.470 0.001 0.000 0.288 3050 S C -0.298 174.265 174.600 -0.062 0.000 1.108 3050 S CA -0.683 57.474 58.200 -0.071 0.000 0.971 3050 S CB 0.855 63.969 63.200 -0.143 0.000 1.041 3050 S HN 0.843 nan 8.310 nan 0.000 0.483 3051 N N 1.049 119.735 118.700 -0.023 0.000 2.753 3051 N HA -0.126 4.615 4.740 0.001 0.000 0.252 3051 N C -1.250 174.307 175.510 0.077 0.000 1.071 3051 N CA 0.058 53.121 53.050 0.023 0.000 0.690 3051 N CB -1.097 37.417 38.487 0.044 0.000 0.906 3051 N HN 0.468 nan 8.380 nan 0.000 0.552 3052 L N 0.937 122.194 121.223 0.058 0.000 2.307 3052 L HA 0.276 4.617 4.340 0.001 0.000 0.282 3052 L C 0.840 177.796 176.870 0.143 0.000 1.051 3052 L CA -0.416 54.469 54.840 0.075 0.000 0.804 3052 L CB 1.495 43.569 42.059 0.026 0.000 1.197 3052 L HN 0.290 nan 8.230 nan 0.000 0.431 3053 Q N 2.608 122.507 119.800 0.165 0.000 2.307 3053 Q HA 0.064 4.404 4.340 0.001 0.000 0.259 3053 Q C -1.283 174.805 176.000 0.147 0.000 0.998 3053 Q CA -0.424 55.467 55.803 0.147 0.000 0.923 3053 Q CB 0.786 29.572 28.738 0.080 0.000 1.196 3053 Q HN 0.525 nan 8.270 nan 0.000 0.416 3054 W N 6.175 127.477 121.300 0.002 0.000 2.417 3054 W HA 0.426 5.086 4.660 0.001 0.000 0.317 3054 W C -1.083 175.410 176.519 -0.044 0.000 1.121 3054 W CA -0.753 56.584 57.345 -0.012 0.000 1.208 3054 W CB 0.952 30.401 29.460 -0.020 0.000 1.253 3054 W HN 0.488 nan 8.180 nan 0.000 0.533 3055 R N 6.692 126.256 120.500 -1.560 0.000 2.725 3055 R HA 0.426 4.766 4.340 0.001 0.000 0.277 3055 R C -2.871 172.470 176.300 -1.598 0.000 0.987 3055 R CA -2.192 53.002 56.100 -1.509 0.000 0.901 3055 R CB 1.729 31.625 30.300 -0.672 0.000 1.207 3055 R HN 0.267 nan 8.270 nan 0.000 0.463 3056 P HA -0.067 nan 4.420 nan 0.000 0.252 3056 P C -0.396 176.877 177.300 -0.045 0.000 1.147 3056 P CA 0.752 63.717 63.100 -0.224 0.000 0.779 3056 P CB 0.323 31.937 31.700 -0.143 0.000 0.733 3057 E N 0.698 121.010 120.200 0.187 0.000 2.660 3057 E HA 0.071 4.421 4.350 0.001 0.000 0.216 3057 E C 0.404 177.080 176.600 0.126 0.000 0.986 3057 E CA 0.138 56.615 56.400 0.128 0.000 1.037 3057 E CB 0.290 30.081 29.700 0.152 0.000 1.041 3057 E HN 0.384 nan 8.360 nan 0.000 0.480 3058 S N 0.265 116.051 115.700 0.142 0.000 2.611 3058 S HA 0.059 4.530 4.470 0.001 0.000 0.252 3058 S C 1.198 175.834 174.600 0.060 0.000 1.369 3058 S CA 0.551 58.808 58.200 0.095 0.000 0.975 3058 S CB 0.428 63.683 63.200 0.092 0.000 0.937 3058 S HN 0.225 nan 8.310 nan 0.000 0.584 3059 T N -0.327 114.252 114.554 0.042 0.000 12.057 3059 T HA -0.229 4.121 4.350 0.001 0.000 0.412 3059 T C 0.508 175.226 174.700 0.031 0.000 1.495 3059 T CA 1.776 63.895 62.100 0.031 0.000 2.454 3059 T CB -1.787 67.097 68.868 0.027 0.000 2.808 3059 T HN 0.687 nan 8.240 nan 0.000 0.847 3060 S N 2.624 118.347 115.700 0.038 0.000 2.466 3060 S HA 0.165 4.636 4.470 0.001 0.000 0.286 3060 S C 1.541 176.168 174.600 0.046 0.000 1.221 3060 S CA 0.120 58.345 58.200 0.041 0.000 1.091 3060 S CB 0.979 64.206 63.200 0.045 0.000 0.956 3060 S HN 0.653 nan 8.310 nan 0.000 0.501 3061 R N 2.047 122.574 120.500 0.045 0.000 2.226 3061 R HA -0.112 4.229 4.340 0.001 0.000 0.246 3061 R C 0.522 176.862 176.300 0.067 0.000 1.161 3061 R CA 1.287 57.416 56.100 0.048 0.000 0.997 3061 R CB -0.374 29.956 30.300 0.049 0.000 0.870 3061 R HN 0.414 nan 8.270 nan 0.000 0.465 3062 V N 0.603 120.564 119.914 0.079 0.000 2.848 3062 V HA 0.277 4.398 4.120 0.001 0.000 0.262 3062 V C -2.890 173.253 176.094 0.083 0.000 1.061 3062 V CA -2.117 60.245 62.300 0.103 0.000 0.930 3062 V CB 1.779 33.696 31.823 0.156 0.000 1.058 3062 V HN -0.012 nan 8.190 nan 0.000 0.491 3063 P HA 0.125 nan 4.420 nan 0.000 0.267 3063 P C -0.286 177.041 177.300 0.045 0.000 1.175 3063 P CA 0.899 64.044 63.100 0.074 0.000 0.763 3063 P CB 0.326 32.088 31.700 0.102 0.000 0.795 3064 T N 3.168 117.741 114.554 0.032 0.000 2.856 3064 T HA 0.589 4.939 4.350 0.001 0.000 0.283 3064 T C -0.298 174.418 174.700 0.027 0.000 1.008 3064 T CA -0.511 61.590 62.100 0.002 0.000 0.997 3064 T CB 0.495 69.356 68.868 -0.012 0.000 0.992 3064 T HN 0.142 nan 8.240 nan 0.000 0.454 3065 L N 2.576 123.813 121.223 0.023 0.000 2.362 3065 L HA 0.648 4.989 4.340 0.001 0.000 0.271 3065 L C -1.118 175.781 176.870 0.048 0.000 1.002 3065 L CA -1.056 53.820 54.840 0.061 0.000 0.818 3065 L CB 1.929 44.018 42.059 0.050 0.000 1.298 3065 L HN 0.568 nan 8.230 nan 0.000 0.420 3066 F N 1.801 121.706 119.950 -0.076 0.000 2.469 3066 F HA 0.651 5.178 4.527 0.001 0.000 0.332 3066 F C 0.190 175.909 175.800 -0.134 0.000 1.103 3066 F CA -0.805 57.129 58.000 -0.110 0.000 0.979 3066 F CB 1.643 40.580 39.000 -0.105 0.000 1.137 3066 F HN 0.449 nan 8.300 nan 0.000 0.463 3067 A N 4.922 127.436 122.820 -0.509 0.000 2.343 3067 A HA 0.563 4.883 4.320 0.001 0.000 0.305 3067 A C 0.520 178.121 177.584 0.029 0.000 1.308 3067 A CA 0.214 52.041 52.037 -0.349 0.000 0.949 3067 A CB -0.747 17.700 19.000 -0.922 0.000 1.148 3067 A HN 1.033 nan 8.150 nan 0.000 0.545 3068 G N 1.321 110.254 108.800 0.220 0.000 2.504 3068 G HA2 0.272 4.233 3.960 0.001 0.000 0.257 3068 G HA3 0.272 4.233 3.960 0.001 0.000 0.257 3068 G C 0.451 175.380 174.900 0.049 0.000 1.451 3068 G CA -0.196 45.010 45.100 0.176 0.000 1.059 3068 G HN 0.644 nan 8.290 nan 0.000 0.550 3069 N N -1.131 117.479 118.700 -0.150 0.000 2.392 3069 N HA 0.141 4.881 4.740 0.001 0.000 0.177 3069 N C 1.520 177.085 175.510 0.092 0.000 1.066 3069 N CA 0.283 53.268 53.050 -0.107 0.000 0.895 3069 N CB 0.204 38.503 38.487 -0.313 0.000 0.988 3069 N HN 0.438 nan 8.380 nan 0.000 0.457 3070 F N 0.702 120.733 119.950 0.135 0.000 2.619 3070 F HA 0.165 4.692 4.527 0.001 0.000 0.293 3070 F C 1.073 176.965 175.800 0.153 0.000 1.119 3070 F CA -0.622 57.506 58.000 0.213 0.000 1.445 3070 F CB 0.049 39.299 39.000 0.416 0.000 1.119 3070 F HN -0.090 nan 8.300 nan 0.000 0.573 3071 S N 0.821 116.692 115.700 0.284 0.000 2.573 3071 S HA 0.358 4.828 4.470 0.001 0.000 0.277 3071 S C -0.409 174.292 174.600 0.168 0.000 1.346 3071 S CA -0.686 57.614 58.200 0.168 0.000 1.034 3071 S CB 1.668 64.940 63.200 0.121 0.000 0.879 3071 S HN -0.048 nan 8.310 nan 0.000 0.528 3072 V N 1.825 121.779 119.914 0.067 0.000 3.007 3072 V HA 0.658 4.778 4.120 0.001 0.000 0.311 3072 V C -1.461 174.611 176.094 -0.037 0.000 1.120 3072 V CA -0.761 61.593 62.300 0.090 0.000 0.980 3072 V CB 1.972 33.797 31.823 0.004 0.000 1.033 3072 V HN 0.899 nan 8.190 nan 0.000 0.429 3073 F N 1.960 121.955 119.950 0.076 0.000 2.562 3073 F HA 0.644 5.172 4.527 0.001 0.000 0.319 3073 F C 0.041 175.878 175.800 0.062 0.000 1.154 3073 F CA -0.308 57.751 58.000 0.098 0.000 0.931 3073 F CB 2.268 41.379 39.000 0.185 0.000 1.198 3073 F HN 0.360 nan 8.300 nan 0.000 0.444 3074 S N 2.082 117.873 115.700 0.151 0.000 2.594 3074 S HA 0.687 5.158 4.470 0.001 0.000 0.296 3074 S C 0.545 175.214 174.600 0.116 0.000 1.124 3074 S CA 0.000 58.258 58.200 0.096 0.000 1.011 3074 S CB 1.516 64.716 63.200 0.000 0.000 1.016 3074 S HN 0.801 nan 8.310 nan 0.000 0.485 3075 A N 3.490 126.375 122.820 0.108 0.000 1.972 3075 A HA 0.180 4.500 4.320 0.001 0.000 0.219 3075 A C 1.262 178.895 177.584 0.081 0.000 1.169 3075 A CA 1.347 53.444 52.037 0.099 0.000 0.635 3075 A CB -0.290 18.755 19.000 0.075 0.000 0.810 3075 A HN 1.049 nan 8.150 nan 0.000 0.446 3076 S N 0.588 116.325 115.700 0.062 0.000 2.383 3076 S HA 0.434 4.905 4.470 0.001 0.000 0.196 3076 S C -2.985 171.636 174.600 0.036 0.000 1.364 3076 S CA -1.451 56.781 58.200 0.053 0.000 1.212 3076 S CB 0.780 64.003 63.200 0.040 0.000 1.171 3076 S HN 0.231 nan 8.310 nan 0.000 0.456 3077 P HA 0.117 nan 4.420 nan 0.000 0.266 3077 P C 0.285 177.584 177.300 -0.002 0.000 1.195 3077 P CA -0.178 62.905 63.100 -0.028 0.000 0.768 3077 P CB 0.723 32.385 31.700 -0.064 0.000 0.838 3078 K N 1.286 121.666 120.400 -0.034 0.000 2.243 3078 K HA 0.015 4.336 4.320 0.001 0.000 0.201 3078 K C 0.500 177.106 176.600 0.010 0.000 1.051 3078 K CA 0.236 56.516 56.287 -0.010 0.000 0.970 3078 K CB -0.092 32.392 32.500 -0.026 0.000 0.755 3078 K HN 0.308 nan 8.250 nan 0.000 0.465 3079 E N 1.348 121.544 120.200 -0.006 0.000 2.481 3079 E HA -0.070 4.280 4.350 0.001 0.000 0.263 3079 E C 0.894 177.614 176.600 0.200 0.000 0.992 3079 E CA 0.536 56.983 56.400 0.079 0.000 0.938 3079 E CB 0.693 30.442 29.700 0.083 0.000 0.933 3079 E HN 0.342 nan 8.360 nan 0.000 0.453 3080 A N 3.749 126.672 122.820 0.172 0.000 1.832 3080 A HA -0.202 4.118 4.320 0.001 0.000 0.214 3080 A C 1.877 179.632 177.584 0.285 0.000 1.204 3080 A CA 1.749 53.884 52.037 0.164 0.000 0.606 3080 A CB -1.149 17.890 19.000 0.065 0.000 0.849 3080 A HN 0.890 nan 8.150 nan 0.000 0.445 3081 H N -3.538 115.606 119.070 0.123 0.000 2.460 3081 H HA -0.146 4.411 4.556 0.001 0.000 0.297 3081 H C 1.836 177.203 175.328 0.066 0.000 1.103 3081 H CA 1.269 57.363 56.048 0.077 0.000 1.292 3081 H CB -0.405 29.387 29.762 0.050 0.000 1.376 3081 H HN 0.389 nan 8.280 nan 0.000 0.531 3082 F N 1.479 121.512 119.950 0.138 0.000 2.060 3082 F HA -0.161 4.367 4.527 0.001 0.000 0.295 3082 F C 3.119 178.924 175.800 0.008 0.000 1.120 3082 F CA 1.833 59.803 58.000 -0.049 0.000 1.205 3082 F CB -0.589 38.408 39.000 -0.005 0.000 0.986 3082 F HN 0.190 nan 8.300 nan 0.000 0.470 3083 Q N 0.333 120.281 119.800 0.247 0.000 2.077 3083 Q HA -0.299 4.042 4.340 0.001 0.000 0.206 3083 Q C 2.265 178.316 176.000 0.085 0.000 0.989 3083 Q CA 2.112 57.998 55.803 0.138 0.000 0.853 3083 Q CB -0.386 28.421 28.738 0.115 0.000 0.907 3083 Q HN 0.493 nan 8.270 nan 0.000 0.418 3084 E N -0.454 119.799 120.200 0.088 0.000 2.187 3084 E HA -0.318 4.033 4.350 0.001 0.000 0.199 3084 E C 1.882 178.491 176.600 0.015 0.000 1.004 3084 E CA 1.518 57.949 56.400 0.052 0.000 0.813 3084 E CB 0.054 29.795 29.700 0.067 0.000 0.736 3084 E HN 0.129 nan 8.360 nan 0.000 0.468 3085 R N -0.122 120.367 120.500 -0.018 0.000 2.072 3085 R HA 0.024 4.365 4.340 0.001 0.000 0.214 3085 R C 2.240 178.527 176.300 -0.022 0.000 1.168 3085 R CA 1.079 57.144 56.100 -0.059 0.000 1.020 3085 R CB -1.002 29.195 30.300 -0.171 0.000 0.914 3085 R HN 0.089 nan 8.270 nan 0.000 0.449 3086 V N 0.897 120.814 119.914 0.005 0.000 2.511 3086 V HA -0.303 3.817 4.120 0.001 0.000 0.257 3086 V C 1.558 177.670 176.094 0.029 0.000 1.088 3086 V CA 2.628 64.951 62.300 0.038 0.000 1.098 3086 V CB -0.441 31.436 31.823 0.090 0.000 0.674 3086 V HN 0.605 nan 8.190 nan 0.000 0.470 3087 T N -0.406 114.165 114.554 0.030 0.000 2.739 3087 T HA -0.105 4.246 4.350 0.001 0.000 0.249 3087 T C 1.646 176.370 174.700 0.039 0.000 1.050 3087 T CA 1.430 63.546 62.100 0.026 0.000 1.165 3087 T CB -0.410 68.472 68.868 0.024 0.000 0.872 3087 T HN 0.616 nan 8.240 nan 0.000 0.411 3088 N N 0.683 119.407 118.700 0.040 0.000 2.242 3088 N HA -0.162 4.578 4.740 0.001 0.000 0.193 3088 N C 1.677 177.208 175.510 0.035 0.000 1.000 3088 N CA 1.539 54.621 53.050 0.053 0.000 0.885 3088 N CB -0.177 38.319 38.487 0.016 0.000 0.988 3088 N HN 0.410 nan 8.380 nan 0.000 0.444 3089 M N -0.477 119.126 119.600 0.005 0.000 2.412 3089 M HA 0.019 4.500 4.480 0.001 0.000 0.263 3089 M C 1.887 178.173 176.300 -0.023 0.000 1.122 3089 M CA 0.823 56.105 55.300 -0.030 0.000 1.179 3089 M CB -0.034 32.536 32.600 -0.049 0.000 1.335 3089 M HN -0.007 nan 8.290 nan 0.000 0.465 3090 K N -0.670 119.727 120.400 -0.004 0.000 2.442 3090 K HA -0.262 4.058 4.320 0.001 0.000 0.200 3090 K C 1.531 178.146 176.600 0.025 0.000 1.045 3090 K CA 1.590 57.868 56.287 -0.015 0.000 0.937 3090 K CB -0.229 32.269 32.500 -0.004 0.000 0.757 3090 K HN 0.630 nan 8.250 nan 0.000 0.474 3091 H N -1.251 117.777 119.070 -0.069 0.000 2.272 3091 H HA 0.060 4.617 4.556 0.001 0.000 0.320 3091 H C 1.863 177.148 175.328 -0.071 0.000 1.072 3091 H CA 0.869 56.881 56.048 -0.060 0.000 1.458 3091 H CB -0.027 29.710 29.762 -0.042 0.000 1.456 3091 H HN 0.224 nan 8.280 nan 0.000 0.551 3092 A N 1.219 123.978 122.820 -0.102 0.000 2.117 3092 A HA -0.249 4.072 4.320 0.001 0.000 0.224 3092 A C 2.377 179.900 177.584 -0.102 0.000 1.167 3092 A CA 1.960 53.888 52.037 -0.182 0.000 0.664 3092 A CB -1.101 17.800 19.000 -0.164 0.000 0.811 3092 A HN 0.661 nan 8.150 nan 0.000 0.470 3093 I N -1.075 119.418 120.570 -0.128 0.000 2.277 3093 I HA -0.177 3.993 4.170 0.001 0.000 0.243 3093 I C 2.296 178.308 176.117 -0.175 0.000 1.094 3093 I CA 1.524 62.660 61.300 -0.274 0.000 1.393 3093 I CB -0.274 37.425 38.000 -0.502 0.000 1.078 3093 I HN 0.435 nan 8.210 nan 0.000 0.417 3094 E N 0.995 121.145 120.200 -0.083 0.000 2.086 3094 E HA -0.299 4.051 4.350 0.001 0.000 0.200 3094 E C 1.302 177.914 176.600 0.019 0.000 1.012 3094 E CA 1.941 58.330 56.400 -0.020 0.000 0.812 3094 E CB -0.505 29.213 29.700 0.031 0.000 0.743 3094 E HN 0.650 nan 8.360 nan 0.000 0.453 3095 N N 0.150 118.876 118.700 0.042 0.000 2.678 3095 N HA -0.053 4.687 4.740 0.001 0.000 0.199 3095 N C 0.828 176.392 175.510 0.088 0.000 1.353 3095 N CA 0.218 53.294 53.050 0.044 0.000 0.916 3095 N CB 0.153 38.652 38.487 0.019 0.000 1.057 3095 N HN 0.232 nan 8.380 nan 0.000 0.449 3096 I N -2.446 118.206 120.570 0.135 0.000 4.827 3096 I HA -0.025 4.145 4.170 0.001 0.000 0.362 3096 I C 0.839 177.211 176.117 0.424 0.000 1.237 3096 I CA 0.028 61.544 61.300 0.362 0.000 1.366 3096 I CB 0.510 38.721 38.000 0.351 0.000 1.742 3096 I HN -0.139 nan 8.210 nan 0.000 0.588 3097 D N 1.874 122.384 120.400 0.183 0.000 2.311 3097 D HA -0.193 4.448 4.640 0.001 0.000 0.212 3097 D C 2.077 178.463 176.300 0.143 0.000 0.972 3097 D CA 2.006 56.108 54.000 0.169 0.000 0.887 3097 D CB 0.260 41.081 40.800 0.036 0.000 0.915 3097 D HN 0.394 nan 8.370 nan 0.000 0.497 3098 T N -1.887 112.645 114.554 -0.036 0.000 3.118 3098 T HA -0.165 4.185 4.350 0.001 0.000 0.269 3098 T C 0.816 175.370 174.700 -0.243 0.000 1.166 3098 T CA 0.676 62.591 62.100 -0.307 0.000 1.073 3098 T CB -0.981 67.475 68.868 -0.688 0.000 0.884 3098 T HN 0.457 nan 8.240 nan 0.000 0.550 3099 F N -3.113 116.880 119.950 0.071 0.000 3.015 3099 F HA 0.413 4.940 4.527 0.001 0.000 0.462 3099 F C -0.323 175.523 175.800 0.077 0.000 0.988 3099 F CA -1.752 56.280 58.000 0.054 0.000 1.174 3099 F CB -0.854 38.159 39.000 0.022 0.000 2.821 3099 F HN -0.020 nan 8.300 nan 0.000 0.496 3100 Y N 1.695 122.143 120.300 0.247 0.000 2.781 3100 Y HA 0.325 4.876 4.550 0.001 0.000 0.182 3100 Y C 1.994 177.928 175.900 0.056 0.000 0.949 3100 Y CA 0.975 59.143 58.100 0.113 0.000 1.525 3100 Y CB -0.135 38.385 38.460 0.100 0.000 1.138 3100 Y HN 0.009 nan 8.280 nan 0.000 0.454 3101 K N 1.010 121.667 120.400 0.429 0.000 2.277 3101 K HA -0.245 4.076 4.320 0.001 0.000 0.206 3101 K C 1.737 178.374 176.600 0.061 0.000 1.044 3101 K CA 2.020 58.447 56.287 0.232 0.000 0.932 3101 K CB -0.137 32.488 32.500 0.209 0.000 0.726 3101 K HN 0.383 nan 8.250 nan 0.000 0.473 3102 E N -0.672 119.562 120.200 0.057 0.000 2.024 3102 E HA 0.026 4.376 4.350 0.001 0.000 0.190 3102 E C 2.107 178.680 176.600 -0.044 0.000 0.974 3102 E CA 1.104 57.514 56.400 0.017 0.000 0.810 3102 E CB -0.444 29.285 29.700 0.048 0.000 0.775 3102 E HN 0.240 nan 8.360 nan 0.000 0.453 3103 A N 2.136 124.914 122.820 -0.071 0.000 1.958 3103 A HA -0.257 4.064 4.320 0.001 0.000 0.221 3103 A C 2.095 179.556 177.584 -0.205 0.000 1.178 3103 A CA 2.068 54.015 52.037 -0.151 0.000 0.642 3103 A CB -0.527 18.332 19.000 -0.234 0.000 0.816 3103 A HN 0.266 nan 8.150 nan 0.000 0.453 3104 E N 0.482 120.517 120.200 -0.276 0.000 2.028 3104 E HA -0.207 4.144 4.350 0.001 0.000 0.191 3104 E C 1.897 178.418 176.600 -0.132 0.000 0.988 3104 E CA 1.724 57.958 56.400 -0.277 0.000 0.799 3104 E CB -0.315 29.169 29.700 -0.361 0.000 0.755 3104 E HN 0.667 nan 8.360 nan 0.000 0.447 3105 K N 0.510 120.858 120.400 -0.086 0.000 2.026 3105 K HA -0.177 4.143 4.320 0.001 0.000 0.208 3105 K C 2.303 178.862 176.600 -0.069 0.000 1.048 3105 K CA 1.629 57.878 56.287 -0.063 0.000 0.929 3105 K CB -0.198 32.278 32.500 -0.039 0.000 0.713 3105 K HN -0.083 nan 8.250 nan 0.000 0.439 3106 K N 1.815 122.175 120.400 -0.067 0.000 2.127 3106 K HA -0.171 4.150 4.320 0.001 0.000 0.208 3106 K C 1.769 178.331 176.600 -0.064 0.000 1.047 3106 K CA 1.249 57.500 56.287 -0.060 0.000 0.927 3106 K CB -0.437 32.026 32.500 -0.061 0.000 0.716 3106 K HN 0.196 nan 8.250 nan 0.000 0.450 3107 L N -0.167 121.009 121.223 -0.077 0.000 1.971 3107 L HA -0.015 4.326 4.340 0.001 0.000 0.208 3107 L C 2.273 179.114 176.870 -0.047 0.000 1.083 3107 L CA 1.627 56.429 54.840 -0.063 0.000 0.753 3107 L CB -0.513 41.502 42.059 -0.073 0.000 0.893 3107 L HN 0.311 nan 8.230 nan 0.000 0.436 3108 I N -0.172 120.369 120.570 -0.049 0.000 2.381 3108 I HA -0.365 3.806 4.170 0.001 0.000 0.255 3108 I C 2.529 178.597 176.117 -0.081 0.000 1.140 3108 I CA 1.355 62.622 61.300 -0.056 0.000 1.404 3108 I CB -0.276 37.666 38.000 -0.096 0.000 1.075 3108 I HN 0.649 nan 8.210 nan 0.000 0.433 3109 Q N 0.687 120.441 119.800 -0.077 0.000 2.045 3109 Q HA -0.217 4.124 4.340 0.001 0.000 0.206 3109 Q C 2.144 178.115 176.000 -0.048 0.000 0.991 3109 Q CA 2.928 58.689 55.803 -0.069 0.000 0.851 3109 Q CB -0.369 28.336 28.738 -0.056 0.000 0.911 3109 Q HN 0.644 nan 8.270 nan 0.000 0.418 3110 V N -1.483 118.410 119.914 -0.036 0.000 3.608 3110 V HA 0.025 4.145 4.120 0.001 0.000 0.269 3110 V C 1.812 177.900 176.094 -0.012 0.000 1.245 3110 V CA 0.441 62.727 62.300 -0.022 0.000 1.138 3110 V CB -0.294 31.517 31.823 -0.021 0.000 0.841 3110 V HN 0.173 nan 8.190 nan 0.000 0.451 3111 L N 1.042 122.258 121.223 -0.011 0.000 2.737 3111 L HA 0.302 4.643 4.340 0.001 0.000 0.246 3111 L C 0.980 177.864 176.870 0.024 0.000 1.153 3111 L CA 0.973 55.821 54.840 0.014 0.000 0.920 3111 L CB -0.795 41.282 42.059 0.030 0.000 1.090 3111 L HN 0.287 nan 8.230 nan 0.000 0.430 3112 K N -0.326 120.078 120.400 0.007 0.000 3.123 3112 K HA 0.516 4.836 4.320 0.001 0.000 0.209 3112 K C 0.074 176.679 176.600 0.008 0.000 1.132 3112 K CA 0.041 56.337 56.287 0.014 0.000 0.992 3112 K CB 0.877 33.375 32.500 -0.002 0.000 0.773 3112 K HN 0.119 nan 8.250 nan 0.000 0.458 3113 G N -0.152 108.653 108.800 0.009 0.000 2.533 3113 G HA2 0.542 4.503 3.960 0.001 0.000 0.304 3113 G HA3 0.542 4.503 3.960 0.001 0.000 0.304 3113 G C -0.671 174.235 174.900 0.009 0.000 1.263 3113 G CA -0.167 44.937 45.100 0.006 0.000 0.964 3113 G HN 0.113 nan 8.290 nan 0.000 0.479 3114 D N -0.465 119.940 120.400 0.008 0.000 4.435 3114 D HA -0.117 4.523 4.640 0.001 0.000 0.097 3114 D C 0.314 176.619 176.300 0.008 0.000 0.406 3114 D CA -0.006 53.999 54.000 0.008 0.000 0.593 3114 D CB -0.660 40.147 40.800 0.012 0.000 1.636 3114 D HN 0.482 nan 8.370 nan 0.000 0.097 3115 S N 1.170 116.874 115.700 0.006 0.000 2.569 3115 S HA 0.363 4.834 4.470 0.001 0.000 0.274 3115 S C -1.844 172.759 174.600 0.005 0.000 1.353 3115 S CA -0.408 57.795 58.200 0.005 0.000 1.023 3115 S CB 0.722 63.924 63.200 0.003 0.000 0.876 3115 S HN 0.216 nan 8.310 nan 0.000 0.540 3116 P HA 0.524 nan 4.420 nan 0.000 0.281 3116 P C -1.009 176.293 177.300 0.004 0.000 1.249 3116 P CA -0.369 62.734 63.100 0.005 0.000 0.810 3116 P CB 0.610 32.313 31.700 0.005 0.000 1.008 3117 K N 0.000 120.402 120.400 0.003 0.000 2.780 3117 K HA 0.000 4.320 4.320 0.001 0.000 0.191 3117 K CA 0.000 56.288 56.287 0.003 0.000 0.838 3117 K CB 0.000 32.501 32.500 0.002 0.000 1.064 3117 K HN 0.000 nan 8.250 nan 0.000 0.543