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 1spu_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.468 176.300 0.279 0.000 1.140 7 M CA 0.000 55.384 55.300 0.140 0.000 0.988 7 M CB 0.000 32.660 32.600 0.100 0.000 1.302 8 V N 0.143 120.245 119.914 0.313 0.000 3.141 8 V HA 0.847 4.967 4.120 -0.000 0.000 0.312 8 V C -2.794 173.203 176.094 -0.161 0.000 1.157 8 V CA -2.219 60.230 62.300 0.247 0.000 1.041 8 V CB 1.838 33.697 31.823 0.061 0.000 1.071 8 V HN 0.651 nan 8.190 nan 0.000 0.441 9 P HA 0.155 nan 4.420 nan 0.000 0.271 9 P C 0.573 177.493 177.300 -0.635 0.000 1.226 9 P CA -0.029 62.337 63.100 -1.223 0.000 0.765 9 P CB 1.002 32.153 31.700 -0.916 0.000 0.835 10 M N 2.851 122.049 119.600 -0.669 0.000 2.099 10 M HA -0.160 4.319 4.480 -0.000 0.000 0.262 10 M C 1.180 177.270 176.300 -0.349 0.000 1.067 10 M CA 1.846 56.854 55.300 -0.486 0.000 1.124 10 M CB -0.542 31.682 32.600 -0.627 0.000 1.353 10 M HN 0.280 nan 8.290 nan 0.000 0.410 11 D N 0.667 120.856 120.400 -0.352 0.000 2.116 11 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 11 D C 1.941 178.155 176.300 -0.144 0.000 0.998 11 D CA 1.292 55.167 54.000 -0.207 0.000 0.836 11 D CB -0.094 40.600 40.800 -0.178 0.000 0.951 11 D HN 0.405 nan 8.370 nan 0.000 0.449 12 K N -0.055 120.238 120.400 -0.178 0.000 1.985 12 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 12 K C 2.224 178.778 176.600 -0.078 0.000 1.047 12 K CA 1.245 57.460 56.287 -0.119 0.000 0.932 12 K CB -0.358 32.065 32.500 -0.130 0.000 0.716 12 K HN 0.102 nan 8.250 nan 0.000 0.439 13 T N 2.536 117.029 114.554 -0.101 0.000 2.665 13 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 13 T C 1.960 176.658 174.700 -0.002 0.000 1.035 13 T CA 1.236 63.303 62.100 -0.056 0.000 1.151 13 T CB -0.242 68.574 68.868 -0.086 0.000 0.862 13 T HN 0.124 nan 8.240 nan 0.000 0.438 14 L N 0.090 121.306 121.223 -0.011 0.000 2.027 14 L HA -0.059 4.280 4.340 -0.000 0.000 0.206 14 L C 2.607 179.526 176.870 0.081 0.000 1.074 14 L CA 1.455 56.336 54.840 0.069 0.000 0.745 14 L CB -0.390 41.701 42.059 0.053 0.000 0.898 14 L HN 0.219 nan 8.230 nan 0.000 0.433 15 K N -0.323 120.088 120.400 0.020 0.000 2.288 15 K HA -0.162 4.158 4.320 -0.000 0.000 0.201 15 K C 1.906 178.508 176.600 0.002 0.000 1.048 15 K CA 0.703 56.994 56.287 0.006 0.000 0.956 15 K CB 0.082 32.578 32.500 -0.008 0.000 0.746 15 K HN 0.231 nan 8.250 nan 0.000 0.461 16 E N -0.330 119.882 120.200 0.019 0.000 2.216 16 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 16 E C 1.254 177.890 176.600 0.059 0.000 0.988 16 E CA 0.463 56.877 56.400 0.023 0.000 0.834 16 E CB 0.101 29.813 29.700 0.020 0.000 0.772 16 E HN 0.239 nan 8.360 nan 0.000 0.479 17 F N -0.244 119.647 119.950 -0.099 0.000 2.615 17 F HA 0.193 4.719 4.527 -0.000 0.000 0.297 17 F C 1.296 177.009 175.800 -0.145 0.000 1.124 17 F CA 1.388 59.305 58.000 -0.139 0.000 1.451 17 F CB 0.484 39.361 39.000 -0.206 0.000 1.103 17 F HN 0.072 nan 8.300 nan 0.000 0.569 18 G N 0.523 109.188 108.800 -0.224 0.000 2.141 18 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.231 18 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.231 18 G C 0.305 175.057 174.900 -0.247 0.000 0.984 18 G CA -0.011 44.929 45.100 -0.266 0.000 0.660 18 G HN 0.832 nan 8.290 nan 0.000 0.525 19 A N -0.136 122.586 122.820 -0.164 0.000 2.354 19 A HA 0.630 4.950 4.320 -0.000 0.000 0.269 19 A C 0.080 177.685 177.584 0.036 0.000 1.109 19 A CA 0.544 52.564 52.037 -0.029 0.000 0.800 19 A CB 0.619 19.683 19.000 0.108 0.000 1.045 19 A HN 0.596 nan 8.150 nan 0.000 0.489 20 D N 0.791 121.231 120.400 0.065 0.000 2.177 20 D HA 0.486 5.125 4.640 -0.000 0.000 0.247 20 D C -0.823 175.542 176.300 0.108 0.000 1.063 20 D CA -0.047 53.993 54.000 0.067 0.000 0.867 20 D CB 1.234 42.066 40.800 0.054 0.000 1.168 20 D HN 0.228 nan 8.370 nan 0.000 0.445 21 V N 3.507 123.490 119.914 0.116 0.000 2.487 21 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 21 V C -0.581 175.641 176.094 0.213 0.000 1.028 21 V CA -0.806 61.601 62.300 0.179 0.000 0.860 21 V CB 1.392 33.308 31.823 0.155 0.000 0.991 21 V HN 0.552 nan 8.190 nan 0.000 0.427 22 Q N 3.942 123.892 119.800 0.249 0.000 2.337 22 Q HA 0.464 4.804 4.340 -0.000 0.000 0.266 22 Q C -1.106 175.068 176.000 0.291 0.000 1.023 22 Q CA -0.276 55.653 55.803 0.210 0.000 0.829 22 Q CB 2.853 31.655 28.738 0.106 0.000 1.306 22 Q HN 0.865 nan 8.270 nan 0.000 0.449 23 W N 3.563 124.861 121.300 -0.003 0.000 2.529 23 W HA 0.428 5.088 4.660 -0.000 0.000 0.321 23 W C -1.412 175.006 176.519 -0.169 0.000 1.047 23 W CA -0.631 56.557 57.345 -0.262 0.000 1.216 23 W CB 1.559 30.822 29.460 -0.327 0.000 1.357 23 W HN 0.647 nan 8.180 nan 0.000 0.489 24 D N 4.308 124.123 120.400 -0.974 0.000 2.453 24 D HA 0.064 4.704 4.640 -0.000 0.000 0.238 24 D C 0.454 175.966 176.300 -1.314 0.000 1.088 24 D CA -0.145 53.387 54.000 -0.779 0.000 0.854 24 D CB 1.355 41.916 40.800 -0.398 0.000 1.076 24 D HN 0.452 nan 8.370 nan 0.000 0.533 25 D N 2.442 122.277 120.400 -0.941 0.000 2.178 25 D HA -0.213 4.427 4.640 -0.000 0.000 0.202 25 D C 1.429 177.552 176.300 -0.295 0.000 0.974 25 D CA 0.996 54.657 54.000 -0.565 0.000 0.841 25 D CB -0.056 40.716 40.800 -0.047 0.000 0.953 25 D HN 0.549 nan 8.370 nan 0.000 0.478 26 Y N 0.561 120.671 120.300 -0.318 0.000 2.163 26 Y HA -0.014 4.535 4.550 -0.000 0.000 0.288 26 Y C 1.979 177.751 175.900 -0.213 0.000 1.136 26 Y CA 2.021 60.002 58.100 -0.198 0.000 1.147 26 Y CB -0.353 38.017 38.460 -0.148 0.000 0.987 26 Y HN -0.004 nan 8.280 nan 0.000 0.509 27 A N -0.799 121.855 122.820 -0.277 0.000 2.238 27 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 27 A C 0.508 177.880 177.584 -0.352 0.000 1.179 27 A CA 0.399 52.247 52.037 -0.315 0.000 0.827 27 A CB -0.116 18.796 19.000 -0.148 0.000 0.856 27 A HN 0.519 nan 8.150 nan 0.000 0.488 28 Q N -1.746 117.719 119.800 -0.558 0.000 2.459 28 Q HA -0.199 4.141 4.340 -0.000 0.000 0.322 28 Q C -0.874 174.824 176.000 -0.503 0.000 1.427 28 Q CA 0.875 56.303 55.803 -0.626 0.000 0.861 28 Q CB -1.905 26.778 28.738 -0.092 0.000 1.137 28 Q HN 0.579 nan 8.270 nan 0.000 0.394 29 L N -0.126 120.613 121.223 -0.807 0.000 2.431 29 L HA 0.664 5.004 4.340 -0.000 0.000 0.266 29 L C -1.115 175.602 176.870 -0.255 0.000 0.978 29 L CA -0.531 54.132 54.840 -0.295 0.000 0.822 29 L CB 1.381 43.344 42.059 -0.160 0.000 1.310 29 L HN 0.045 nan 8.230 nan 0.000 0.409 30 F N 2.355 122.443 119.950 0.230 0.000 2.410 30 F HA 0.569 5.096 4.527 -0.000 0.000 0.349 30 F C 0.417 176.288 175.800 0.119 0.000 1.117 30 F CA -0.193 57.963 58.000 0.260 0.000 1.104 30 F CB 1.913 41.066 39.000 0.255 0.000 1.122 30 F HN 0.349 nan 8.300 nan 0.000 0.483 31 T N 5.751 120.465 114.554 0.265 0.000 2.791 31 T HA 0.577 4.927 4.350 -0.000 0.000 0.288 31 T C -0.457 174.289 174.700 0.078 0.000 0.999 31 T CA -0.560 61.583 62.100 0.072 0.000 0.952 31 T CB 0.421 69.266 68.868 -0.038 0.000 0.938 31 T HN 0.282 nan 8.240 nan 0.000 0.444 32 L N 4.783 126.032 121.223 0.044 0.000 2.313 32 L HA 0.681 5.021 4.340 -0.000 0.000 0.283 32 L C -0.483 176.428 176.870 0.069 0.000 1.013 32 L CA -0.922 54.006 54.840 0.147 0.000 0.816 32 L CB 1.346 43.606 42.059 0.335 0.000 1.236 32 L HN 0.476 nan 8.230 nan 0.000 0.419 33 I N 3.347 123.987 120.570 0.117 0.000 2.545 33 I HA 0.485 4.654 4.170 -0.000 0.000 0.292 33 I C -0.491 175.753 176.117 0.211 0.000 1.040 33 I CA -0.645 60.728 61.300 0.122 0.000 1.068 33 I CB 2.404 40.413 38.000 0.017 0.000 1.251 33 I HN 0.569 nan 8.210 nan 0.000 0.424 34 K N 5.601 126.170 120.400 0.281 0.000 2.651 34 K HA 0.217 4.537 4.320 -0.000 0.000 0.259 34 K C -1.140 175.574 176.600 0.190 0.000 1.017 34 K CA -0.362 56.011 56.287 0.144 0.000 0.897 34 K CB 1.104 33.561 32.500 -0.072 0.000 1.262 34 K HN 0.757 nan 8.250 nan 0.000 0.460 35 D N 1.556 122.041 120.400 0.141 0.000 3.845 35 D HA -0.250 4.390 4.640 -0.000 0.000 0.144 35 D C 0.925 177.356 176.300 0.218 0.000 0.889 35 D CA 2.091 56.206 54.000 0.192 0.000 1.096 35 D CB -0.936 39.998 40.800 0.223 0.000 0.515 35 D HN 0.759 nan 8.370 nan 0.000 0.525 36 G N 0.339 109.279 108.800 0.234 0.000 2.920 36 G HA2 0.370 4.330 3.960 -0.000 0.000 0.208 36 G HA3 0.370 4.330 3.960 -0.000 0.000 0.208 36 G C 0.364 175.374 174.900 0.183 0.000 1.159 36 G CA 0.935 46.132 45.100 0.161 0.000 0.784 36 G HN 0.642 nan 8.290 nan 0.000 0.535 37 A N 0.324 123.296 122.820 0.254 0.000 2.279 37 A HA 0.592 4.912 4.320 -0.000 0.000 0.306 37 A C -1.471 176.256 177.584 0.239 0.000 1.300 37 A CA -0.548 51.635 52.037 0.243 0.000 0.925 37 A CB 0.214 19.469 19.000 0.426 0.000 1.152 37 A HN 0.277 nan 8.150 nan 0.000 0.544 38 Y N 3.290 123.620 120.300 0.050 0.000 2.447 38 Y HA 0.504 5.054 4.550 -0.000 0.000 0.325 38 Y C -0.807 175.090 175.900 -0.005 0.000 0.976 38 Y CA -0.521 57.611 58.100 0.053 0.000 1.280 38 Y CB 1.362 39.852 38.460 0.050 0.000 1.104 38 Y HN 0.428 nan 8.280 nan 0.000 0.486 39 V N 6.075 125.922 119.914 -0.112 0.000 2.555 39 V HA 0.515 4.635 4.120 -0.000 0.000 0.302 39 V C -0.810 175.266 176.094 -0.031 0.000 1.038 39 V CA -1.083 61.160 62.300 -0.094 0.000 0.887 39 V CB 1.990 33.643 31.823 -0.283 0.000 0.991 39 V HN 0.568 nan 8.190 nan 0.000 0.434 40 K N 2.866 123.301 120.400 0.058 0.000 2.426 40 K HA 0.795 5.115 4.320 -0.000 0.000 0.254 40 K C -1.602 175.084 176.600 0.144 0.000 0.936 40 K CA -0.560 55.796 56.287 0.114 0.000 0.801 40 K CB 2.516 35.096 32.500 0.133 0.000 1.139 40 K HN 0.422 nan 8.250 nan 0.000 0.424 41 V N 3.097 123.145 119.914 0.224 0.000 2.808 41 V HA 0.408 4.528 4.120 -0.000 0.000 0.308 41 V C -1.712 174.580 176.094 0.330 0.000 1.099 41 V CA -0.779 61.677 62.300 0.260 0.000 0.920 41 V CB 2.059 34.068 31.823 0.311 0.000 1.014 41 V HN 0.653 nan 8.190 nan 0.000 0.425 42 K N 6.463 127.014 120.400 0.251 0.000 2.182 42 K HA 0.567 4.887 4.320 -0.000 0.000 0.262 42 K C -2.754 174.003 176.600 0.261 0.000 0.957 42 K CA -1.826 54.613 56.287 0.252 0.000 0.842 42 K CB 1.777 34.364 32.500 0.144 0.000 1.099 42 K HN 0.413 nan 8.250 nan 0.000 0.438 43 P HA -0.059 nan 4.420 nan 0.000 0.264 43 P C 0.614 178.006 177.300 0.153 0.000 1.193 43 P CA 0.863 64.105 63.100 0.236 0.000 0.763 43 P CB 0.547 32.397 31.700 0.250 0.000 0.810 44 G N 1.968 110.836 108.800 0.114 0.000 2.184 44 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.264 44 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.264 44 G C 0.456 175.404 174.900 0.080 0.000 0.975 44 G CA 0.038 45.188 45.100 0.084 0.000 0.642 44 G HN 0.859 nan 8.290 nan 0.000 0.536 45 A N -0.279 122.599 122.820 0.097 0.000 2.388 45 A HA 0.666 4.986 4.320 -0.000 0.000 0.257 45 A C 1.089 178.723 177.584 0.082 0.000 1.095 45 A CA 0.847 52.935 52.037 0.085 0.000 0.791 45 A CB 0.381 19.438 19.000 0.095 0.000 1.029 45 A HN 0.463 nan 8.150 nan 0.000 0.489 46 Q N -0.078 119.760 119.800 0.064 0.000 2.451 46 Q HA 0.055 4.395 4.340 -0.000 0.000 0.206 46 Q C 0.507 176.541 176.000 0.057 0.000 0.947 46 Q CA 1.088 56.924 55.803 0.056 0.000 0.937 46 Q CB 0.147 28.910 28.738 0.041 0.000 1.025 46 Q HN 0.929 nan 8.270 nan 0.000 0.511 47 T N -3.792 110.799 114.554 0.062 0.000 2.883 47 T HA 0.822 5.172 4.350 -0.000 0.000 0.296 47 T C -0.931 173.810 174.700 0.070 0.000 1.117 47 T CA -0.672 61.460 62.100 0.052 0.000 1.006 47 T CB 2.178 71.067 68.868 0.034 0.000 1.191 47 T HN 0.016 nan 8.240 nan 0.000 0.508 48 A N 0.957 123.807 122.820 0.051 0.000 2.483 48 A HA 0.861 5.181 4.320 -0.000 0.000 0.286 48 A C -1.275 176.323 177.584 0.024 0.000 1.207 48 A CA -0.994 51.076 52.037 0.055 0.000 0.764 48 A CB 1.285 20.313 19.000 0.046 0.000 1.341 48 A HN 0.799 nan 8.150 nan 0.000 0.428 49 I N 1.119 121.704 120.570 0.026 0.000 2.436 49 I HA 0.451 4.621 4.170 -0.000 0.000 0.289 49 I C -0.989 175.126 176.117 -0.002 0.000 1.010 49 I CA -0.479 60.835 61.300 0.023 0.000 1.098 49 I CB 1.257 39.292 38.000 0.058 0.000 1.266 49 I HN 0.251 nan 8.210 nan 0.000 0.434 50 V N 6.130 126.032 119.914 -0.021 0.000 2.409 50 V HA 0.369 4.489 4.120 -0.000 0.000 0.290 50 V C 0.413 176.511 176.094 0.006 0.000 1.017 50 V CA -0.810 61.463 62.300 -0.045 0.000 0.841 50 V CB 1.025 32.778 31.823 -0.118 0.000 1.003 50 V HN 0.893 nan 8.190 nan 0.000 0.426 51 N N 4.072 122.809 118.700 0.061 0.000 2.725 51 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 51 N C 1.177 176.699 175.510 0.021 0.000 1.031 51 N CA 0.472 53.555 53.050 0.055 0.000 0.720 51 N CB -0.651 37.857 38.487 0.036 0.000 0.930 51 N HN 1.374 nan 8.380 nan 0.000 0.543 52 G N -1.183 107.636 108.800 0.032 0.000 2.212 52 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.266 52 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.266 52 G C -0.078 174.828 174.900 0.010 0.000 0.978 52 G CA 0.490 45.599 45.100 0.013 0.000 0.632 52 G HN 0.417 nan 8.290 nan 0.000 0.537 53 Q N 0.768 120.572 119.800 0.006 0.000 2.256 53 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 53 Q C -2.567 173.431 176.000 -0.003 0.000 0.936 53 Q CA -2.029 53.774 55.803 -0.001 0.000 0.903 53 Q CB 1.969 30.703 28.738 -0.007 0.000 1.263 53 Q HN 0.262 nan 8.270 nan 0.000 0.440 54 P HA 0.248 nan 4.420 nan 0.000 0.280 54 P C -0.901 176.393 177.300 -0.009 0.000 1.244 54 P CA -0.589 62.511 63.100 0.001 0.000 0.784 54 P CB 0.635 32.339 31.700 0.006 0.000 0.913 55 L N 2.781 123.997 121.223 -0.012 0.000 2.372 55 L HA 0.685 5.025 4.340 -0.000 0.000 0.274 55 L C -0.533 176.333 176.870 -0.008 0.000 0.988 55 L CA -0.916 53.909 54.840 -0.024 0.000 0.833 55 L CB 1.178 43.201 42.059 -0.060 0.000 1.236 55 L HN 0.408 nan 8.230 nan 0.000 0.410 56 A N 6.110 128.928 122.820 -0.004 0.000 2.492 56 A HA 0.492 4.812 4.320 -0.000 0.000 0.254 56 A C -0.471 177.121 177.584 0.013 0.000 1.091 56 A CA -0.046 51.996 52.037 0.009 0.000 0.768 56 A CB -0.257 18.747 19.000 0.007 0.000 1.028 56 A HN 0.754 nan 8.150 nan 0.000 0.498 57 L N 2.886 124.131 121.223 0.035 0.000 2.309 57 L HA 0.234 4.574 4.340 -0.000 0.000 0.282 57 L C 1.474 178.377 176.870 0.055 0.000 1.036 57 L CA -0.421 54.455 54.840 0.059 0.000 0.806 57 L CB 1.415 43.541 42.059 0.111 0.000 1.220 57 L HN 0.939 nan 8.230 nan 0.000 0.429 58 Q N 1.500 121.333 119.800 0.055 0.000 2.016 58 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 58 Q C -0.253 175.779 176.000 0.053 0.000 0.978 58 Q CA 1.133 56.964 55.803 0.046 0.000 0.833 58 Q CB 0.365 29.129 28.738 0.043 0.000 0.895 58 Q HN 0.460 nan 8.270 nan 0.000 0.427 59 V N 2.439 122.399 119.914 0.076 0.000 2.380 59 V HA 0.277 4.397 4.120 -0.000 0.000 0.286 59 V C -2.340 173.812 176.094 0.096 0.000 1.015 59 V CA -1.681 60.664 62.300 0.075 0.000 0.834 59 V CB 1.226 33.091 31.823 0.071 0.000 1.009 59 V HN 0.128 nan 8.190 nan 0.000 0.428 60 P HA 0.149 nan 4.420 nan 0.000 0.269 60 P C -0.156 177.177 177.300 0.054 0.000 1.215 60 P CA -0.142 63.009 63.100 0.084 0.000 0.780 60 P CB 0.532 32.274 31.700 0.070 0.000 0.898 61 V N 2.593 122.532 119.914 0.042 0.000 2.673 61 V HA 0.001 4.121 4.120 -0.000 0.000 0.303 61 V C 0.497 176.608 176.094 0.029 0.000 1.046 61 V CA 0.357 62.633 62.300 -0.040 0.000 1.126 61 V CB 0.557 32.337 31.823 -0.072 0.000 0.934 61 V HN 0.217 nan 8.190 nan 0.000 0.487 62 V N 6.607 126.544 119.914 0.037 0.000 2.384 62 V HA 0.405 4.524 4.120 -0.000 0.000 0.287 62 V C 0.118 176.305 176.094 0.155 0.000 1.020 62 V CA -0.640 61.715 62.300 0.092 0.000 0.850 62 V CB 1.680 33.556 31.823 0.088 0.000 0.987 62 V HN 0.739 nan 8.190 nan 0.000 0.436 63 M N 5.476 125.145 119.600 0.116 0.000 2.108 63 M HA 0.464 4.944 4.480 -0.000 0.000 0.354 63 M C -0.334 176.051 176.300 0.141 0.000 1.229 63 M CA 0.007 55.370 55.300 0.105 0.000 1.081 63 M CB 0.853 33.472 32.600 0.032 0.000 1.606 63 M HN 0.463 nan 8.290 nan 0.000 0.467 64 K N 2.763 123.309 120.400 0.244 0.000 2.640 64 K HA 0.159 4.479 4.320 -0.000 0.000 0.245 64 K C -0.809 175.896 176.600 0.176 0.000 0.962 64 K CA -0.079 56.315 56.287 0.178 0.000 0.896 64 K CB 0.928 33.465 32.500 0.063 0.000 1.147 64 K HN 0.687 nan 8.250 nan 0.000 0.445 65 D N 2.552 123.000 120.400 0.080 0.000 3.091 65 D HA -0.166 4.473 4.640 -0.000 0.000 0.216 65 D C -0.933 175.384 176.300 0.028 0.000 1.129 65 D CA 1.168 55.202 54.000 0.055 0.000 0.913 65 D CB -1.328 39.517 40.800 0.076 0.000 1.101 65 D HN 0.991 nan 8.370 nan 0.000 0.426 66 N N -0.577 118.129 118.700 0.010 0.000 2.756 66 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 66 N C -1.085 174.365 175.510 -0.100 0.000 1.062 66 N CA 1.251 54.265 53.050 -0.060 0.000 0.696 66 N CB -0.175 38.284 38.487 -0.046 0.000 0.946 66 N HN 0.301 nan 8.380 nan 0.000 0.548 67 K N 0.054 120.418 120.400 -0.059 0.000 2.443 67 K HA 0.756 5.076 4.320 -0.000 0.000 0.252 67 K C -0.318 176.180 176.600 -0.170 0.000 0.933 67 K CA -0.558 55.656 56.287 -0.121 0.000 0.792 67 K CB 2.108 34.566 32.500 -0.071 0.000 1.185 67 K HN 0.145 nan 8.250 nan 0.000 0.425 68 A N 2.326 124.937 122.820 -0.349 0.000 2.293 68 A HA 0.739 5.059 4.320 -0.000 0.000 0.302 68 A C -1.395 175.759 177.584 -0.716 0.000 1.119 68 A CA -0.484 51.335 52.037 -0.363 0.000 0.823 68 A CB 0.455 19.185 19.000 -0.450 0.000 1.097 68 A HN 0.665 nan 8.150 nan 0.000 0.491 69 W N 0.543 121.707 121.300 -0.226 0.000 2.785 69 W HA 0.542 5.202 4.660 -0.000 0.000 0.333 69 W C -0.348 176.009 176.519 -0.269 0.000 1.062 69 W CA -0.484 56.739 57.345 -0.204 0.000 1.233 69 W CB 2.218 31.599 29.460 -0.131 0.000 1.413 69 W HN 0.725 nan 8.180 nan 0.000 0.489 70 V N -0.368 119.499 119.914 -0.078 0.000 3.141 70 V HA 0.683 4.802 4.120 -0.000 0.000 0.312 70 V C -0.047 176.040 176.094 -0.011 0.000 1.157 70 V CA -1.274 60.892 62.300 -0.223 0.000 1.041 70 V CB 1.193 32.611 31.823 -0.675 0.000 1.071 70 V HN 0.437 nan 8.190 nan 0.000 0.441 71 S N 0.836 116.562 115.700 0.043 0.000 2.549 71 S HA 0.097 4.567 4.470 -0.000 0.000 0.283 71 S C 0.909 175.571 174.600 0.103 0.000 1.320 71 S CA 0.355 58.614 58.200 0.098 0.000 1.058 71 S CB 0.346 63.632 63.200 0.143 0.000 0.882 71 S HN 1.117 nan 8.310 nan 0.000 0.498 72 D N 2.631 123.076 120.400 0.076 0.000 2.403 72 D HA -0.088 4.552 4.640 -0.000 0.000 0.227 72 D C 1.485 177.820 176.300 0.058 0.000 0.995 72 D CA 1.147 55.184 54.000 0.061 0.000 0.928 72 D CB -0.685 40.142 40.800 0.045 0.000 0.887 72 D HN 0.581 nan 8.370 nan 0.000 0.529 73 T N -4.519 110.082 114.554 0.079 0.000 3.040 73 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 73 T C 1.489 176.234 174.700 0.074 0.000 1.058 73 T CA -0.544 61.592 62.100 0.059 0.000 0.988 73 T CB -0.642 68.254 68.868 0.046 0.000 0.993 73 T HN 0.010 nan 8.240 nan 0.000 0.519 74 F N 2.693 122.624 119.950 -0.032 0.000 2.015 74 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 74 F C 1.951 177.739 175.800 -0.021 0.000 1.141 74 F CA 1.564 59.548 58.000 -0.027 0.000 1.192 74 F CB -0.609 38.372 39.000 -0.032 0.000 0.957 74 F HN 0.090 nan 8.300 nan 0.000 0.491 75 I N 0.343 120.916 120.570 0.006 0.000 2.145 75 I HA -0.434 3.736 4.170 -0.000 0.000 0.244 75 I C 2.537 178.559 176.117 -0.159 0.000 1.075 75 I CA 1.999 63.195 61.300 -0.173 0.000 1.332 75 I CB -0.817 36.844 38.000 -0.565 0.000 1.033 75 I HN 0.431 nan 8.210 nan 0.000 0.410 76 N N 0.972 119.588 118.700 -0.140 0.000 2.058 76 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 76 N C 1.483 176.944 175.510 -0.082 0.000 1.037 76 N CA 2.109 55.109 53.050 -0.083 0.000 0.848 76 N CB -0.166 38.288 38.487 -0.054 0.000 1.021 76 N HN 0.227 nan 8.380 nan 0.000 0.422 77 D N 0.199 120.530 120.400 -0.114 0.000 2.123 77 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 77 D C 2.037 178.213 176.300 -0.206 0.000 0.992 77 D CA 0.870 54.791 54.000 -0.132 0.000 0.833 77 D CB -0.103 40.627 40.800 -0.117 0.000 0.954 77 D HN 0.169 nan 8.370 nan 0.000 0.455 78 V N -0.380 119.318 119.914 -0.361 0.000 2.341 78 V HA -0.078 4.042 4.120 -0.000 0.000 0.240 78 V C 1.984 177.864 176.094 -0.357 0.000 1.035 78 V CA 0.896 62.910 62.300 -0.478 0.000 1.033 78 V CB -0.556 30.702 31.823 -0.942 0.000 0.678 78 V HN 0.036 nan 8.190 nan 0.000 0.464 79 F N 0.423 120.234 119.950 -0.232 0.000 2.325 79 F HA -0.061 4.465 4.527 -0.000 0.000 0.299 79 F C 2.067 177.856 175.800 -0.018 0.000 1.090 79 F CA 1.030 58.991 58.000 -0.064 0.000 1.392 79 F CB -0.252 38.763 39.000 0.024 0.000 1.053 79 F HN 0.198 nan 8.300 nan 0.000 0.521 80 Q N -0.493 119.370 119.800 0.105 0.000 2.201 80 Q HA 0.081 4.421 4.340 -0.000 0.000 0.236 80 Q C 1.806 177.816 176.000 0.016 0.000 0.857 80 Q CA 0.212 56.057 55.803 0.070 0.000 1.025 80 Q CB 0.218 28.991 28.738 0.058 0.000 1.124 80 Q HN 0.300 nan 8.270 nan 0.000 0.473 81 S N -0.780 114.908 115.700 -0.020 0.000 2.368 81 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 81 S C 1.700 176.291 174.600 -0.014 0.000 1.030 81 S CA 1.106 59.281 58.200 -0.041 0.000 0.999 81 S CB -0.181 62.969 63.200 -0.083 0.000 0.844 81 S HN 0.540 nan 8.310 nan 0.000 0.459 82 G N 0.493 109.295 108.800 0.005 0.000 2.296 82 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.188 82 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.188 82 G C 0.679 175.588 174.900 0.014 0.000 1.000 82 G CA 0.134 45.245 45.100 0.018 0.000 0.672 82 G HN 0.434 nan 8.290 nan 0.000 0.483 83 L N 0.856 122.077 121.223 -0.003 0.000 2.217 83 L HA 0.148 4.487 4.340 -0.000 0.000 0.211 83 L C 1.115 177.991 176.870 0.009 0.000 1.107 83 L CA 1.172 56.007 54.840 -0.008 0.000 0.783 83 L CB -0.113 41.928 42.059 -0.031 0.000 0.919 83 L HN 0.264 nan 8.230 nan 0.000 0.442 84 D N 0.500 120.917 120.400 0.029 0.000 2.393 84 D HA 0.036 4.676 4.640 -0.000 0.000 0.232 84 D C 0.590 176.937 176.300 0.077 0.000 1.192 84 D CA 0.017 54.056 54.000 0.064 0.000 0.882 84 D CB 0.839 41.709 40.800 0.117 0.000 1.038 84 D HN 0.138 nan 8.370 nan 0.000 0.499 85 Q N 2.119 121.944 119.800 0.041 0.000 2.280 85 Q HA 0.028 4.367 4.340 -0.000 0.000 0.202 85 Q C 1.179 177.184 176.000 0.009 0.000 0.903 85 Q CA 0.056 55.879 55.803 0.033 0.000 0.948 85 Q CB 0.388 29.131 28.738 0.007 0.000 1.058 85 Q HN 0.494 nan 8.270 nan 0.000 0.493 86 T N 0.512 115.069 114.554 0.004 0.000 2.699 86 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 86 T C 0.227 174.762 174.700 -0.274 0.000 1.036 86 T CA 1.296 63.310 62.100 -0.143 0.000 1.147 86 T CB -0.033 68.766 68.868 -0.116 0.000 0.862 86 T HN 0.108 nan 8.240 nan 0.000 0.446 87 F N 0.936 120.912 119.950 0.043 0.000 2.480 87 F HA 0.505 5.031 4.527 -0.000 0.000 0.329 87 F C 0.334 176.153 175.800 0.031 0.000 1.091 87 F CA -1.079 56.946 58.000 0.042 0.000 0.972 87 F CB 1.466 40.494 39.000 0.047 0.000 1.150 87 F HN -0.179 nan 8.300 nan 0.000 0.467 88 Q N 1.424 121.342 119.800 0.196 0.000 2.451 88 Q HA 0.420 4.760 4.340 -0.000 0.000 0.281 88 Q C -1.069 175.001 176.000 0.117 0.000 1.099 88 Q CA -1.058 54.814 55.803 0.116 0.000 0.806 88 Q CB 3.079 31.852 28.738 0.057 0.000 1.419 88 Q HN 0.527 nan 8.270 nan 0.000 0.427 89 V N 0.923 120.887 119.914 0.084 0.000 2.614 89 V HA 0.092 4.211 4.120 -0.000 0.000 0.291 89 V C -0.122 176.014 176.094 0.071 0.000 1.049 89 V CA 0.166 62.510 62.300 0.072 0.000 1.038 89 V CB 0.991 32.846 31.823 0.054 0.000 0.980 89 V HN 0.785 nan 8.190 nan 0.000 0.481 90 E N 5.785 126.031 120.200 0.077 0.000 2.035 90 E HA 0.291 4.641 4.350 -0.000 0.000 0.271 90 E C 0.473 177.123 176.600 0.082 0.000 0.953 90 E CA -0.488 55.966 56.400 0.090 0.000 0.777 90 E CB 0.834 30.596 29.700 0.104 0.000 1.104 90 E HN 0.765 nan 8.360 nan 0.000 0.408 91 K N 2.990 123.436 120.400 0.077 0.000 2.296 91 K HA 0.052 4.372 4.320 -0.000 0.000 0.200 91 K C 0.294 176.946 176.600 0.087 0.000 1.048 91 K CA 0.615 56.942 56.287 0.068 0.000 0.966 91 K CB 0.326 32.857 32.500 0.051 0.000 0.754 91 K HN 0.297 nan 8.250 nan 0.000 0.466 92 R N 1.748 122.324 120.500 0.128 0.000 2.352 92 R HA 0.237 4.577 4.340 -0.000 0.000 0.304 92 R C -2.735 173.713 176.300 0.247 0.000 1.104 92 R CA -1.873 54.340 56.100 0.189 0.000 0.991 92 R CB 1.282 31.719 30.300 0.228 0.000 1.140 92 R HN -0.070 nan 8.270 nan 0.000 0.540 93 P HA -0.092 nan 4.420 nan 0.000 0.267 93 P C -0.510 176.756 177.300 -0.057 0.000 1.205 93 P CA 0.093 63.243 63.100 0.085 0.000 0.765 93 P CB 0.415 32.133 31.700 0.029 0.000 0.828 94 H N 6.377 125.379 119.070 -0.114 0.000 2.928 94 H HA 0.020 4.576 4.556 -0.000 0.000 0.338 94 H C -1.281 173.747 175.328 -0.501 0.000 1.047 94 H CA -1.259 54.536 56.048 -0.421 0.000 1.435 94 H CB 0.734 30.482 29.762 -0.023 0.000 1.428 94 H HN 0.277 nan 8.280 nan 0.000 0.590 95 P HA -0.086 nan 4.420 nan 0.000 0.228 95 P C 1.197 178.356 177.300 -0.235 0.000 1.151 95 P CA 0.855 63.677 63.100 -0.463 0.000 0.770 95 P CB 0.336 31.717 31.700 -0.533 0.000 0.786 96 L N -1.460 119.680 121.223 -0.138 0.000 2.640 96 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 96 L C 0.773 177.543 176.870 -0.166 0.000 1.123 96 L CA -0.246 54.443 54.840 -0.252 0.000 0.900 96 L CB -0.629 41.146 42.059 -0.475 0.000 1.146 96 L HN -0.053 nan 8.230 nan 0.000 0.484 97 N N 1.165 119.852 118.700 -0.021 0.000 2.356 97 N HA 0.101 4.841 4.740 -0.000 0.000 0.252 97 N C 0.361 175.896 175.510 0.041 0.000 1.241 97 N CA -0.157 52.971 53.050 0.131 0.000 0.861 97 N CB 0.871 39.415 38.487 0.094 0.000 1.075 97 N HN 0.173 nan 8.380 nan 0.000 0.461 98 A N 2.907 125.754 122.820 0.045 0.000 2.332 98 A HA 0.244 4.564 4.320 -0.000 0.000 0.258 98 A C 0.403 177.982 177.584 -0.008 0.000 1.087 98 A CA -0.521 51.516 52.037 0.001 0.000 0.802 98 A CB 0.266 19.258 19.000 -0.014 0.000 1.042 98 A HN 0.647 nan 8.150 nan 0.000 0.489 99 L N 1.687 122.900 121.223 -0.016 0.000 2.578 99 L HA 0.057 4.397 4.340 -0.000 0.000 0.279 99 L C 1.468 178.326 176.870 -0.020 0.000 1.227 99 L CA 0.114 54.942 54.840 -0.019 0.000 0.900 99 L CB -0.293 41.752 42.059 -0.022 0.000 1.144 99 L HN 0.974 nan 8.230 nan 0.000 0.496 100 T N -0.038 114.504 114.554 -0.020 0.000 2.788 100 T HA 0.362 4.712 4.350 -0.000 0.000 0.280 100 T C 1.225 175.908 174.700 -0.028 0.000 0.984 100 T CA -0.239 61.849 62.100 -0.021 0.000 0.972 100 T CB 1.415 70.273 68.868 -0.016 0.000 1.039 100 T HN 0.621 nan 8.240 nan 0.000 0.530 101 A N 0.629 123.433 122.820 -0.028 0.000 1.902 101 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 101 A C 2.044 179.603 177.584 -0.041 0.000 1.181 101 A CA 1.773 53.788 52.037 -0.035 0.000 0.623 101 A CB -1.111 17.871 19.000 -0.030 0.000 0.818 101 A HN 0.894 nan 8.150 nan 0.000 0.443 102 D N -0.309 120.072 120.400 -0.033 0.000 2.117 102 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 102 D C 1.944 178.221 176.300 -0.038 0.000 0.987 102 D CA 1.482 55.462 54.000 -0.033 0.000 0.829 102 D CB -0.362 40.424 40.800 -0.024 0.000 0.961 102 D HN 0.666 nan 8.370 nan 0.000 0.460 103 E N -0.047 120.132 120.200 -0.033 0.000 2.150 103 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 103 E C 2.263 178.834 176.600 -0.048 0.000 0.985 103 E CA 0.274 56.654 56.400 -0.033 0.000 0.814 103 E CB 0.064 29.748 29.700 -0.025 0.000 0.752 103 E HN 0.298 nan 8.360 nan 0.000 0.466 104 I N 1.267 121.802 120.570 -0.058 0.000 2.226 104 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 104 I C 2.272 178.317 176.117 -0.121 0.000 1.100 104 I CA 1.239 62.486 61.300 -0.088 0.000 1.374 104 I CB -0.122 37.825 38.000 -0.087 0.000 1.057 104 I HN -0.006 nan 8.210 nan 0.000 0.413 105 K N 0.141 120.481 120.400 -0.099 0.000 2.057 105 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 105 K C 2.191 178.736 176.600 -0.093 0.000 1.049 105 K CA 1.315 57.538 56.287 -0.105 0.000 0.931 105 K CB -0.201 32.253 32.500 -0.077 0.000 0.714 105 K HN 0.359 nan 8.250 nan 0.000 0.440 106 Q N 0.379 120.139 119.800 -0.066 0.000 2.167 106 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 106 Q C 1.964 177.940 176.000 -0.040 0.000 0.970 106 Q CA 1.180 56.955 55.803 -0.046 0.000 0.855 106 Q CB 0.024 28.743 28.738 -0.031 0.000 0.911 106 Q HN 0.308 nan 8.270 nan 0.000 0.438 107 A N 0.014 122.805 122.820 -0.049 0.000 1.898 107 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 107 A C 2.183 179.749 177.584 -0.031 0.000 1.181 107 A CA 1.435 53.456 52.037 -0.026 0.000 0.620 107 A CB -0.666 18.316 19.000 -0.031 0.000 0.819 107 A HN 0.277 nan 8.150 nan 0.000 0.442 108 V N 0.152 119.989 119.914 -0.128 0.000 2.343 108 V HA -0.275 3.844 4.120 -0.000 0.000 0.247 108 V C 2.389 178.423 176.094 -0.099 0.000 1.051 108 V CA 2.302 64.484 62.300 -0.197 0.000 1.036 108 V CB -0.907 30.661 31.823 -0.424 0.000 0.654 108 V HN 0.635 nan 8.190 nan 0.000 0.451 109 E N 0.159 120.306 120.200 -0.089 0.000 2.017 109 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 109 E C 2.195 178.774 176.600 -0.035 0.000 0.997 109 E CA 1.732 58.088 56.400 -0.074 0.000 0.804 109 E CB -0.271 29.396 29.700 -0.055 0.000 0.757 109 E HN 0.525 nan 8.360 nan 0.000 0.448 110 I N 1.186 121.758 120.570 0.004 0.000 2.113 110 I HA -0.300 3.869 4.170 -0.000 0.000 0.242 110 I C 2.725 178.912 176.117 0.118 0.000 1.064 110 I CA 1.507 62.837 61.300 0.050 0.000 1.320 110 I CB -0.717 37.319 38.000 0.061 0.000 1.028 110 I HN 0.129 nan 8.210 nan 0.000 0.406 111 V N -1.345 118.689 119.914 0.199 0.000 2.626 111 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 111 V C 2.199 178.486 176.094 0.321 0.000 1.067 111 V CA 1.499 64.059 62.300 0.434 0.000 1.081 111 V CB -0.843 31.326 31.823 0.577 0.000 0.686 111 V HN 0.353 nan 8.190 nan 0.000 0.468 112 K N 1.028 121.389 120.400 -0.066 0.000 2.288 112 K HA 0.204 4.524 4.320 -0.000 0.000 0.201 112 K C 2.192 178.687 176.600 -0.176 0.000 1.048 112 K CA 1.181 57.168 56.287 -0.500 0.000 0.956 112 K CB -0.330 31.801 32.500 -0.616 0.000 0.746 112 K HN 0.606 nan 8.250 nan 0.000 0.461 113 A N 1.020 123.806 122.820 -0.056 0.000 2.206 113 A HA -0.009 4.310 4.320 -0.000 0.000 0.211 113 A C 1.075 178.647 177.584 -0.021 0.000 1.158 113 A CA 0.236 52.255 52.037 -0.030 0.000 0.761 113 A CB -0.065 18.926 19.000 -0.016 0.000 0.801 113 A HN 0.201 nan 8.150 nan 0.000 0.473 114 S N -0.727 114.970 115.700 -0.006 0.000 2.580 114 S HA 0.452 4.922 4.470 -0.000 0.000 0.274 114 S C 1.224 175.734 174.600 -0.150 0.000 1.329 114 S CA 0.012 58.140 58.200 -0.121 0.000 1.036 114 S CB 1.237 64.285 63.200 -0.253 0.000 0.919 114 S HN 0.787 nan 8.310 nan 0.000 0.515 115 A N 2.911 125.617 122.820 -0.190 0.000 2.172 115 A HA 0.008 4.327 4.320 -0.000 0.000 0.216 115 A C 1.485 178.947 177.584 -0.204 0.000 1.154 115 A CA 1.279 53.225 52.037 -0.151 0.000 0.701 115 A CB -0.415 18.504 19.000 -0.135 0.000 0.789 115 A HN 0.898 nan 8.150 nan 0.000 0.465 116 D N -1.619 118.528 120.400 -0.422 0.000 2.346 116 D HA 0.060 4.700 4.640 -0.000 0.000 0.206 116 D C 0.110 176.274 176.300 -0.227 0.000 1.001 116 D CA -0.049 53.640 54.000 -0.519 0.000 0.871 116 D CB -0.084 40.018 40.800 -1.162 0.000 0.943 116 D HN 0.428 nan 8.370 nan 0.000 0.518 117 F N 2.891 122.708 119.950 -0.222 0.000 2.578 117 F HA 0.020 4.547 4.527 -0.000 0.000 0.381 117 F C 0.544 176.392 175.800 0.080 0.000 1.069 117 F CA -0.124 57.962 58.000 0.144 0.000 1.231 117 F CB 0.428 39.543 39.000 0.190 0.000 1.086 117 F HN -0.443 nan 8.300 nan 0.000 0.564 118 K N 7.888 128.095 120.400 -0.322 0.000 2.156 118 K HA 0.375 4.695 4.320 -0.000 0.000 0.271 118 K C -2.604 173.899 176.600 -0.162 0.000 0.995 118 K CA -2.576 53.608 56.287 -0.171 0.000 0.890 118 K CB 0.656 33.058 32.500 -0.164 0.000 1.073 118 K HN 0.298 nan 8.250 nan 0.000 0.454 119 P HA 0.061 nan 4.420 nan 0.000 0.264 119 P C -0.562 176.765 177.300 0.046 0.000 1.193 119 P CA 0.365 63.541 63.100 0.127 0.000 0.763 119 P CB 0.096 31.854 31.700 0.097 0.000 0.810 120 N N -1.644 117.118 118.700 0.102 0.000 2.979 120 N HA -0.118 4.622 4.740 -0.000 0.000 0.234 120 N C -0.555 174.942 175.510 -0.021 0.000 0.938 120 N CA 0.503 53.590 53.050 0.061 0.000 0.961 120 N CB -1.765 36.745 38.487 0.040 0.000 1.089 120 N HN 0.400 nan 8.380 nan 0.000 0.576 121 T N 1.382 115.838 114.554 -0.162 0.000 2.934 121 T HA 0.102 4.452 4.350 -0.000 0.000 0.306 121 T C 0.705 175.228 174.700 -0.295 0.000 1.042 121 T CA 0.400 62.269 62.100 -0.384 0.000 1.145 121 T CB 0.625 68.897 68.868 -0.993 0.000 0.982 121 T HN 0.115 nan 8.240 nan 0.000 0.544 122 R N 1.252 121.586 120.500 -0.277 0.000 2.643 122 R HA 0.508 4.848 4.340 -0.000 0.000 0.272 122 R C -0.899 175.189 176.300 -0.353 0.000 0.995 122 R CA -0.651 55.376 56.100 -0.122 0.000 1.032 122 R CB 0.943 31.339 30.300 0.160 0.000 1.126 122 R HN 0.468 nan 8.270 nan 0.000 0.505 123 F N 0.404 120.426 119.950 0.121 0.000 2.347 123 F HA 0.167 4.694 4.527 -0.000 0.000 0.366 123 F C 1.552 177.417 175.800 0.108 0.000 1.107 123 F CA -0.625 57.430 58.000 0.093 0.000 1.058 123 F CB 1.635 40.681 39.000 0.077 0.000 1.236 123 F HN 0.630 nan 8.300 nan 0.000 0.456 124 T N -1.574 113.086 114.554 0.177 0.000 2.904 124 T HA 0.000 4.350 4.350 -0.000 0.000 0.267 124 T C 0.415 175.197 174.700 0.138 0.000 1.059 124 T CA 0.798 62.983 62.100 0.141 0.000 1.137 124 T CB 0.150 69.068 68.868 0.083 0.000 0.879 124 T HN 0.570 nan 8.240 nan 0.000 0.467 125 E N -0.527 119.762 120.200 0.148 0.000 2.381 125 E HA 0.533 4.883 4.350 -0.000 0.000 0.286 125 E C -1.994 174.681 176.600 0.125 0.000 0.960 125 E CA -0.729 55.739 56.400 0.113 0.000 0.793 125 E CB 1.839 31.577 29.700 0.063 0.000 1.225 125 E HN 0.365 nan 8.360 nan 0.000 0.420 126 I N 2.948 123.572 120.570 0.089 0.000 2.493 126 I HA 0.362 4.532 4.170 -0.000 0.000 0.279 126 I C -0.696 175.438 176.117 0.029 0.000 1.045 126 I CA -0.304 61.032 61.300 0.059 0.000 1.106 126 I CB 1.755 39.760 38.000 0.009 0.000 1.216 126 I HN 0.274 nan 8.210 nan 0.000 0.459 127 S N 4.794 120.512 115.700 0.030 0.000 2.627 127 S HA 0.575 5.045 4.470 -0.000 0.000 0.283 127 S C -0.725 173.880 174.600 0.010 0.000 1.127 127 S CA -0.649 57.561 58.200 0.016 0.000 0.863 127 S CB 2.448 65.663 63.200 0.024 0.000 1.121 127 S HN 0.494 nan 8.310 nan 0.000 0.479 128 L N 2.321 123.542 121.223 -0.004 0.000 2.453 128 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 128 L C -0.611 176.256 176.870 -0.004 0.000 1.182 128 L CA -0.150 54.684 54.840 -0.010 0.000 0.858 128 L CB 0.218 42.263 42.059 -0.025 0.000 1.120 128 L HN 0.544 nan 8.230 nan 0.000 0.474 129 L N 8.796 130.018 121.223 -0.000 0.000 2.315 129 L HA 0.566 4.905 4.340 -0.000 0.000 0.278 129 L C -2.291 174.577 176.870 -0.004 0.000 1.088 129 L CA -2.341 52.502 54.840 0.005 0.000 0.899 129 L CB -0.043 42.024 42.059 0.014 0.000 1.277 129 L HN 0.520 nan 8.230 nan 0.000 0.431 130 P HA 0.321 nan 4.420 nan 0.000 0.274 130 P C -2.608 174.690 177.300 -0.004 0.000 1.237 130 P CA -1.127 61.961 63.100 -0.020 0.000 0.793 130 P CB -0.213 31.475 31.700 -0.020 0.000 0.977 131 P HA 0.039 nan 4.420 nan 0.000 0.280 131 P C -0.432 176.881 177.300 0.022 0.000 1.278 131 P CA 0.041 63.136 63.100 -0.008 0.000 0.787 131 P CB -0.073 31.605 31.700 -0.037 0.000 1.163 132 D N -0.903 119.512 120.400 0.026 0.000 2.414 132 D HA -0.014 4.625 4.640 -0.000 0.000 0.242 132 D C 1.273 177.587 176.300 0.025 0.000 1.129 132 D CA -0.066 53.958 54.000 0.040 0.000 0.885 132 D CB 0.583 41.404 40.800 0.035 0.000 1.198 132 D HN 0.265 nan 8.370 nan 0.000 0.437 133 K N 2.513 122.902 120.400 -0.019 0.000 2.089 133 K HA -0.307 4.013 4.320 -0.000 0.000 0.210 133 K C 1.627 178.094 176.600 -0.223 0.000 1.048 133 K CA 1.884 57.976 56.287 -0.324 0.000 0.926 133 K CB -0.006 32.111 32.500 -0.640 0.000 0.714 133 K HN 0.678 nan 8.250 nan 0.000 0.448 134 E N -0.649 119.515 120.200 -0.059 0.000 2.107 134 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 134 E C 1.775 178.436 176.600 0.101 0.000 0.982 134 E CA 0.840 57.273 56.400 0.054 0.000 0.809 134 E CB -0.092 29.629 29.700 0.035 0.000 0.756 134 E HN 0.476 nan 8.360 nan 0.000 0.459 135 A N 0.412 123.272 122.820 0.066 0.000 1.930 135 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 135 A C 2.323 179.968 177.584 0.102 0.000 1.175 135 A CA 1.126 53.208 52.037 0.076 0.000 0.627 135 A CB -0.418 18.608 19.000 0.042 0.000 0.815 135 A HN 0.203 nan 8.150 nan 0.000 0.443 136 V N -2.255 117.707 119.914 0.080 0.000 2.307 136 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 136 V C 2.222 178.428 176.094 0.187 0.000 1.045 136 V CA 1.652 63.990 62.300 0.064 0.000 1.024 136 V CB -1.056 30.807 31.823 0.066 0.000 0.651 136 V HN 0.790 nan 8.190 nan 0.000 0.449 137 W N 0.098 121.500 121.300 0.170 0.000 2.358 137 W HA -0.168 4.492 4.660 -0.000 0.000 0.303 137 W C 2.610 179.194 176.519 0.109 0.000 1.208 137 W CA 1.095 58.531 57.345 0.150 0.000 1.274 137 W CB -0.253 29.247 29.460 0.067 0.000 1.138 137 W HN 0.210 nan 8.180 nan 0.000 0.515 138 A N -0.425 122.589 122.820 0.323 0.000 1.972 138 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 138 A C 1.647 179.341 177.584 0.183 0.000 1.169 138 A CA 1.590 53.745 52.037 0.198 0.000 0.635 138 A CB -1.150 17.932 19.000 0.137 0.000 0.810 138 A HN 0.426 nan 8.150 nan 0.000 0.446 139 F N 0.788 120.769 119.950 0.051 0.000 2.098 139 F HA 0.046 4.573 4.527 -0.000 0.000 0.294 139 F C 2.516 178.328 175.800 0.019 0.000 1.107 139 F CA 1.320 59.310 58.000 -0.018 0.000 1.234 139 F CB -0.509 38.408 39.000 -0.138 0.000 1.002 139 F HN 0.230 nan 8.300 nan 0.000 0.472 140 A N 0.661 123.649 122.820 0.281 0.000 1.902 140 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 140 A C 2.253 179.940 177.584 0.173 0.000 1.181 140 A CA 2.016 54.207 52.037 0.256 0.000 0.623 140 A CB -1.100 18.152 19.000 0.421 0.000 0.818 140 A HN 0.530 nan 8.150 nan 0.000 0.443 141 L N -1.876 119.477 121.223 0.217 0.000 2.168 141 L HA 0.012 4.352 4.340 -0.000 0.000 0.203 141 L C 2.060 178.954 176.870 0.040 0.000 1.078 141 L CA 1.183 56.108 54.840 0.141 0.000 0.780 141 L CB -0.217 41.932 42.059 0.150 0.000 0.939 141 L HN 0.389 nan 8.230 nan 0.000 0.451 142 E N -1.117 119.093 120.200 0.016 0.000 2.511 142 E HA 0.092 4.441 4.350 -0.000 0.000 0.209 142 E C -0.255 176.294 176.600 -0.085 0.000 0.986 142 E CA -0.152 56.235 56.400 -0.022 0.000 0.974 142 E CB 0.541 30.245 29.700 0.006 0.000 1.030 142 E HN 0.236 nan 8.360 nan 0.000 0.490 143 N N 1.609 120.193 118.700 -0.193 0.000 2.776 143 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 143 N C -0.453 174.951 175.510 -0.177 0.000 1.112 143 N CA 0.784 53.615 53.050 -0.364 0.000 0.733 143 N CB -0.968 37.349 38.487 -0.284 0.000 1.097 143 N HN 0.206 nan 8.380 nan 0.000 0.558 144 K N 1.920 122.287 120.400 -0.054 0.000 2.316 144 K HA 0.175 4.495 4.320 -0.000 0.000 0.289 144 K C -2.152 174.548 176.600 0.167 0.000 1.070 144 K CA -1.106 55.211 56.287 0.048 0.000 0.928 144 K CB 0.874 33.410 32.500 0.060 0.000 1.039 144 K HN -0.035 nan 8.250 nan 0.000 0.480 145 P HA -0.065 nan 4.420 nan 0.000 0.271 145 P C 1.001 178.383 177.300 0.137 0.000 1.218 145 P CA -0.179 63.054 63.100 0.223 0.000 0.780 145 P CB 0.881 32.666 31.700 0.140 0.000 0.901 146 V N -1.120 118.842 119.914 0.081 0.000 2.759 146 V HA -0.154 3.966 4.120 -0.000 0.000 0.256 146 V C 0.890 176.995 176.094 0.019 0.000 1.080 146 V CA 1.668 63.979 62.300 0.018 0.000 1.101 146 V CB -1.843 29.941 31.823 -0.064 0.000 0.698 146 V HN 0.662 nan 8.190 nan 0.000 0.477 147 D N 0.325 120.739 120.400 0.023 0.000 2.697 147 D HA -0.185 4.455 4.640 -0.000 0.000 0.235 147 D C 0.038 176.343 176.300 0.010 0.000 1.167 147 D CA 1.087 55.100 54.000 0.021 0.000 0.656 147 D CB -1.073 39.744 40.800 0.029 0.000 1.025 147 D HN 0.841 nan 8.370 nan 0.000 0.419 148 Q N -0.059 119.739 119.800 -0.002 0.000 2.456 148 Q HA 0.571 4.911 4.340 -0.000 0.000 0.284 148 Q C -2.451 173.542 176.000 -0.013 0.000 1.061 148 Q CA -1.594 54.205 55.803 -0.007 0.000 0.799 148 Q CB 2.061 30.791 28.738 -0.013 0.000 1.445 148 Q HN 0.165 nan 8.270 nan 0.000 0.411 149 P HA 0.300 nan 4.420 nan 0.000 0.290 149 P C -0.630 176.662 177.300 -0.012 0.000 1.276 149 P CA -0.601 62.495 63.100 -0.007 0.000 0.808 149 P CB 0.895 32.596 31.700 0.002 0.000 0.966 150 R N 2.431 122.922 120.500 -0.016 0.000 2.570 150 R HA 0.219 4.559 4.340 -0.000 0.000 0.277 150 R C 0.250 176.546 176.300 -0.007 0.000 1.039 150 R CA 0.274 56.362 56.100 -0.019 0.000 1.065 150 R CB 0.283 30.570 30.300 -0.021 0.000 0.964 150 R HN 0.522 nan 8.270 nan 0.000 0.428 151 K N 0.429 120.826 120.400 -0.005 0.000 2.375 151 K HA 0.642 4.962 4.320 -0.000 0.000 0.249 151 K C -1.152 175.452 176.600 0.007 0.000 0.942 151 K CA -0.508 55.783 56.287 0.007 0.000 0.806 151 K CB 2.398 34.905 32.500 0.012 0.000 1.227 151 K HN 0.691 nan 8.250 nan 0.000 0.430 152 A N 1.855 124.685 122.820 0.017 0.000 2.401 152 A HA 0.499 4.819 4.320 -0.000 0.000 0.310 152 A C -1.465 176.138 177.584 0.031 0.000 1.075 152 A CA -0.767 51.281 52.037 0.018 0.000 0.746 152 A CB 1.072 20.080 19.000 0.013 0.000 1.277 152 A HN 0.640 nan 8.150 nan 0.000 0.425 153 D N 1.150 121.570 120.400 0.033 0.000 2.232 153 D HA 0.488 5.128 4.640 -0.000 0.000 0.242 153 D C -0.885 175.448 176.300 0.054 0.000 1.093 153 D CA 0.200 54.224 54.000 0.041 0.000 0.845 153 D CB 1.776 42.601 40.800 0.042 0.000 1.124 153 D HN 0.170 nan 8.370 nan 0.000 0.467 154 V N 4.160 124.110 119.914 0.059 0.000 2.409 154 V HA 0.390 4.510 4.120 -0.000 0.000 0.290 154 V C 0.228 176.360 176.094 0.063 0.000 1.017 154 V CA -0.741 61.623 62.300 0.107 0.000 0.841 154 V CB 1.243 33.163 31.823 0.162 0.000 1.003 154 V HN 0.356 nan 8.190 nan 0.000 0.426 155 I N 6.427 127.052 120.570 0.092 0.000 2.321 155 I HA 0.544 4.714 4.170 -0.000 0.000 0.291 155 I C 0.155 176.280 176.117 0.013 0.000 0.998 155 I CA -0.290 61.031 61.300 0.036 0.000 1.227 155 I CB 1.374 39.427 38.000 0.089 0.000 1.368 155 I HN 0.591 nan 8.210 nan 0.000 0.466 156 M N 6.008 125.526 119.600 -0.137 0.000 2.598 156 M HA 0.611 5.090 4.480 -0.000 0.000 0.317 156 M C -1.461 174.702 176.300 -0.230 0.000 1.179 156 M CA -1.017 54.120 55.300 -0.271 0.000 0.936 156 M CB 2.706 35.018 32.600 -0.480 0.000 1.713 156 M HN 0.335 nan 8.290 nan 0.000 0.460 157 L N 2.673 123.760 121.223 -0.228 0.000 2.318 157 L HA 0.407 4.747 4.340 -0.000 0.000 0.277 157 L C -1.091 175.669 176.870 -0.183 0.000 1.008 157 L CA 0.184 54.927 54.840 -0.162 0.000 0.846 157 L CB 0.881 42.885 42.059 -0.092 0.000 1.220 157 L HN 0.786 nan 8.230 nan 0.000 0.423 158 D N 4.306 124.618 120.400 -0.146 0.000 2.500 158 D HA 0.511 5.151 4.640 -0.000 0.000 0.219 158 D C 1.066 177.361 176.300 -0.008 0.000 1.137 158 D CA 0.786 54.720 54.000 -0.110 0.000 0.946 158 D CB 0.350 41.094 40.800 -0.093 0.000 1.022 158 D HN 0.804 nan 8.370 nan 0.000 0.518 159 G N 4.819 113.589 108.800 -0.050 0.000 4.026 159 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.309 159 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.309 159 G C 0.873 175.700 174.900 -0.123 0.000 1.411 159 G CA 0.798 45.870 45.100 -0.047 0.000 1.037 159 G HN 0.645 nan 8.290 nan 0.000 0.687 160 K N 0.685 120.929 120.400 -0.260 0.000 2.477 160 K HA 0.395 4.715 4.320 -0.000 0.000 0.208 160 K C 0.207 176.487 176.600 -0.534 0.000 1.117 160 K CA 0.073 56.133 56.287 -0.378 0.000 1.039 160 K CB 0.364 32.633 32.500 -0.386 0.000 0.937 160 K HN 0.625 nan 8.250 nan 0.000 0.570 161 H N 1.284 120.256 119.070 -0.164 0.000 2.580 161 H HA 0.272 4.828 4.556 -0.000 0.000 0.322 161 H C -0.401 174.800 175.328 -0.212 0.000 1.082 161 H CA -0.606 55.328 56.048 -0.189 0.000 1.383 161 H CB 1.110 30.782 29.762 -0.150 0.000 1.450 161 H HN 0.016 nan 8.280 nan 0.000 0.505 162 I N 4.784 125.258 120.570 -0.161 0.000 2.353 162 I HA 0.250 4.420 4.170 -0.000 0.000 0.293 162 I C -0.014 175.977 176.117 -0.211 0.000 0.992 162 I CA -0.306 60.855 61.300 -0.231 0.000 1.268 162 I CB 0.766 38.515 38.000 -0.419 0.000 1.387 162 I HN 0.557 nan 8.210 nan 0.000 0.478 163 I N 5.612 126.040 120.570 -0.238 0.000 2.533 163 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 163 I C -0.234 175.689 176.117 -0.323 0.000 1.056 163 I CA -0.540 60.565 61.300 -0.326 0.000 1.057 163 I CB 2.253 39.947 38.000 -0.511 0.000 1.240 163 I HN 0.436 nan 8.210 nan 0.000 0.423 164 E N 4.872 124.909 120.200 -0.272 0.000 2.133 164 E HA 0.742 5.092 4.350 -0.000 0.000 0.274 164 E C -0.869 175.594 176.600 -0.228 0.000 0.930 164 E CA -0.694 55.605 56.400 -0.168 0.000 0.770 164 E CB 2.223 31.904 29.700 -0.031 0.000 1.104 164 E HN 0.672 nan 8.360 nan 0.000 0.403 165 A N 2.607 125.311 122.820 -0.194 0.000 2.384 165 A HA 0.721 5.041 4.320 -0.000 0.000 0.312 165 A C -0.918 176.672 177.584 0.010 0.000 1.113 165 A CA -0.626 51.349 52.037 -0.103 0.000 0.779 165 A CB 1.540 20.457 19.000 -0.138 0.000 1.307 165 A HN 0.377 nan 8.150 nan 0.000 0.436 166 V N 1.337 121.288 119.914 0.060 0.000 2.588 166 V HA 0.624 4.744 4.120 -0.000 0.000 0.304 166 V C -0.220 175.925 176.094 0.084 0.000 1.042 166 V CA -0.436 61.902 62.300 0.063 0.000 0.877 166 V CB 1.420 33.275 31.823 0.054 0.000 0.996 166 V HN 1.207 nan 8.190 nan 0.000 0.425 167 V N 0.590 120.546 119.914 0.070 0.000 2.864 167 V HA 0.772 4.892 4.120 -0.000 0.000 0.314 167 V C -0.972 175.149 176.094 0.045 0.000 1.073 167 V CA -0.641 61.700 62.300 0.070 0.000 0.956 167 V CB 2.240 34.106 31.823 0.073 0.000 1.023 167 V HN 0.797 nan 8.190 nan 0.000 0.435 168 D N 2.516 122.940 120.400 0.041 0.000 2.441 168 D HA 0.416 5.056 4.640 -0.000 0.000 0.231 168 D C 0.832 177.144 176.300 0.020 0.000 1.073 168 D CA -0.328 53.688 54.000 0.027 0.000 0.850 168 D CB 1.452 42.269 40.800 0.028 0.000 1.062 168 D HN 0.616 nan 8.370 nan 0.000 0.524 169 L N 2.707 123.937 121.223 0.012 0.000 2.141 169 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 169 L C 2.430 179.302 176.870 0.002 0.000 1.094 169 L CA 0.873 55.715 54.840 0.005 0.000 0.763 169 L CB -0.203 41.855 42.059 -0.002 0.000 0.908 169 L HN 0.504 nan 8.230 nan 0.000 0.437 170 Q N 0.567 120.369 119.800 0.003 0.000 1.965 170 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 170 Q C 1.771 177.774 176.000 0.005 0.000 0.981 170 Q CA 1.659 57.463 55.803 0.003 0.000 0.834 170 Q CB 0.075 28.815 28.738 0.003 0.000 0.900 170 Q HN 0.448 nan 8.270 nan 0.000 0.426 171 N N 1.232 119.937 118.700 0.008 0.000 2.550 171 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 171 N C -0.228 175.290 175.510 0.013 0.000 1.110 171 N CA 0.731 53.787 53.050 0.011 0.000 0.912 171 N CB -0.433 38.062 38.487 0.013 0.000 0.968 171 N HN 0.362 nan 8.380 nan 0.000 0.448 172 N N 1.046 119.753 118.700 0.012 0.000 2.686 172 N HA -0.228 4.512 4.740 -0.000 0.000 0.261 172 N C -1.129 174.394 175.510 0.022 0.000 1.001 172 N CA 0.746 53.804 53.050 0.014 0.000 0.764 172 N CB -0.807 37.684 38.487 0.007 0.000 0.898 172 N HN 0.471 nan 8.380 nan 0.000 0.544 173 K N -0.712 119.706 120.400 0.031 0.000 2.426 173 K HA 0.565 4.884 4.320 -0.000 0.000 0.251 173 K C -0.836 175.802 176.600 0.062 0.000 0.941 173 K CA -1.305 55.007 56.287 0.041 0.000 0.808 173 K CB 1.412 33.933 32.500 0.034 0.000 1.265 173 K HN 0.012 nan 8.250 nan 0.000 0.432 174 L N 3.579 124.850 121.223 0.080 0.000 2.433 174 L HA 0.121 4.461 4.340 -0.000 0.000 0.275 174 L C 0.275 177.208 176.870 0.105 0.000 1.128 174 L CA 0.078 54.993 54.840 0.124 0.000 0.875 174 L CB 0.032 42.189 42.059 0.162 0.000 1.171 174 L HN 0.859 nan 8.230 nan 0.000 0.463 175 L N 3.016 124.302 121.223 0.105 0.000 2.253 175 L HA 0.207 4.547 4.340 -0.000 0.000 0.205 175 L C 0.649 177.582 176.870 0.104 0.000 1.078 175 L CA 0.685 55.576 54.840 0.084 0.000 0.805 175 L CB -0.158 41.940 42.059 0.064 0.000 0.963 175 L HN 0.834 nan 8.230 nan 0.000 0.459 176 S N -2.316 113.468 115.700 0.140 0.000 2.567 176 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 176 S C -2.084 172.669 174.600 0.255 0.000 1.152 176 S CA -0.776 57.524 58.200 0.167 0.000 0.835 176 S CB 2.053 65.317 63.200 0.107 0.000 1.115 176 S HN 0.194 nan 8.310 nan 0.000 0.459 177 W N 2.244 123.566 121.300 0.037 0.000 2.802 177 W HA 0.563 5.223 4.660 -0.000 0.000 0.331 177 W C -1.680 174.851 176.519 0.020 0.000 1.021 177 W CA -0.196 57.170 57.345 0.035 0.000 1.259 177 W CB 1.878 31.360 29.460 0.036 0.000 1.323 177 W HN 0.954 nan 8.180 nan 0.000 0.432 178 Q N 8.044 127.821 119.800 -0.038 0.000 2.444 178 Q HA 0.394 4.733 4.340 -0.000 0.000 0.251 178 Q C -2.556 173.391 176.000 -0.089 0.000 0.939 178 Q CA -1.867 53.934 55.803 -0.004 0.000 0.740 178 Q CB 2.227 30.972 28.738 0.011 0.000 1.308 178 Q HN 0.047 nan 8.270 nan 0.000 0.461 179 P HA 0.103 nan 4.420 nan 0.000 0.268 179 P C -0.566 176.687 177.300 -0.078 0.000 1.205 179 P CA -0.109 62.950 63.100 -0.069 0.000 0.771 179 P CB 0.557 32.252 31.700 -0.009 0.000 0.858 180 I N 2.662 123.152 120.570 -0.134 0.000 2.330 180 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 180 I C 0.967 176.989 176.117 -0.159 0.000 1.025 180 I CA -1.157 60.049 61.300 -0.157 0.000 1.197 180 I CB 0.129 37.961 38.000 -0.279 0.000 1.358 180 I HN 0.352 nan 8.210 nan 0.000 0.467 181 K N 6.269 126.613 120.400 -0.092 0.000 2.489 181 K HA -0.042 4.278 4.320 -0.000 0.000 0.278 181 K C 0.281 176.819 176.600 -0.102 0.000 1.000 181 K CA 0.539 56.779 56.287 -0.077 0.000 1.012 181 K CB 0.438 32.914 32.500 -0.041 0.000 0.903 181 K HN 0.572 nan 8.250 nan 0.000 0.485 182 D N -0.029 120.299 120.400 -0.120 0.000 2.978 182 D HA -0.220 4.420 4.640 -0.000 0.000 0.205 182 D C -0.448 175.736 176.300 -0.193 0.000 1.093 182 D CA 1.537 55.454 54.000 -0.137 0.000 1.006 182 D CB -1.101 39.661 40.800 -0.063 0.000 1.116 182 D HN 0.649 nan 8.370 nan 0.000 0.419 183 A N 1.023 123.683 122.820 -0.265 0.000 2.409 183 A HA 0.345 4.665 4.320 -0.000 0.000 0.262 183 A C 0.253 177.610 177.584 -0.378 0.000 1.113 183 A CA 0.098 51.930 52.037 -0.341 0.000 0.790 183 A CB 0.393 18.928 19.000 -0.775 0.000 1.046 183 A HN 0.212 nan 8.150 nan 0.000 0.496 184 H N 1.230 120.184 119.070 -0.192 0.000 2.467 184 H HA 0.449 5.005 4.556 -0.000 0.000 0.331 184 H C 0.808 176.069 175.328 -0.113 0.000 1.120 184 H CA 0.311 56.267 56.048 -0.155 0.000 1.270 184 H CB 1.789 31.482 29.762 -0.114 0.000 1.466 184 H HN 0.841 nan 8.280 nan 0.000 0.504 185 G N 1.618 110.416 108.800 -0.004 0.000 2.477 185 G HA2 0.378 4.338 3.960 -0.000 0.000 0.304 185 G HA3 0.378 4.338 3.960 -0.000 0.000 0.304 185 G C 0.524 175.430 174.900 0.009 0.000 1.175 185 G CA -0.778 44.330 45.100 0.013 0.000 0.907 185 G HN 0.646 nan 8.290 nan 0.000 0.509 186 M N -0.046 119.554 119.600 -0.000 0.000 2.167 186 M HA 0.429 4.909 4.480 -0.000 0.000 0.300 186 M C -0.272 175.961 176.300 -0.110 0.000 1.171 186 M CA -0.380 54.873 55.300 -0.079 0.000 1.171 186 M CB 0.495 33.058 32.600 -0.062 0.000 1.396 186 M HN 0.102 nan 8.290 nan 0.000 0.466 187 V N 2.800 122.581 119.914 -0.222 0.000 2.521 187 V HA 0.205 4.324 4.120 -0.000 0.000 0.286 187 V C 0.433 176.528 176.094 0.003 0.000 1.034 187 V CA -0.175 62.029 62.300 -0.160 0.000 1.045 187 V CB 0.193 31.804 31.823 -0.354 0.000 0.974 187 V HN 0.638 nan 8.190 nan 0.000 0.480 188 L N 4.236 125.462 121.223 0.004 0.000 2.352 188 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 188 L C 1.217 178.023 176.870 -0.106 0.000 1.034 188 L CA -0.728 54.057 54.840 -0.092 0.000 0.806 188 L CB 1.313 43.289 42.059 -0.138 0.000 1.244 188 L HN 0.540 nan 8.230 nan 0.000 0.447 189 L N 1.542 122.532 121.223 -0.390 0.000 2.043 189 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 189 L C 2.175 178.924 176.870 -0.201 0.000 1.075 189 L CA 2.162 56.791 54.840 -0.350 0.000 0.752 189 L CB -0.643 41.189 42.059 -0.378 0.000 0.891 189 L HN 0.879 nan 8.230 nan 0.000 0.432 190 D N -1.847 118.281 120.400 -0.453 0.000 2.218 190 D HA -0.243 4.396 4.640 -0.000 0.000 0.204 190 D C 1.524 177.824 176.300 0.001 0.000 0.976 190 D CA 1.310 55.223 54.000 -0.146 0.000 0.853 190 D CB -0.709 40.039 40.800 -0.087 0.000 0.939 190 D HN 0.385 nan 8.370 nan 0.000 0.481 191 D N 0.010 120.422 120.400 0.020 0.000 2.190 191 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 191 D C 1.814 178.143 176.300 0.048 0.000 0.992 191 D CA 0.681 54.700 54.000 0.031 0.000 0.854 191 D CB -0.484 40.319 40.800 0.004 0.000 0.936 191 D HN 0.258 nan 8.370 nan 0.000 0.462 192 F N 1.261 121.180 119.950 -0.051 0.000 2.102 192 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 192 F C 2.544 178.317 175.800 -0.045 0.000 1.105 192 F CA 1.053 59.038 58.000 -0.025 0.000 1.239 192 F CB -0.861 38.136 39.000 -0.004 0.000 0.991 192 F HN -0.070 nan 8.300 nan 0.000 0.474 193 A N -0.765 122.146 122.820 0.152 0.000 1.929 193 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 193 A C 2.343 179.933 177.584 0.010 0.000 1.176 193 A CA 1.664 53.737 52.037 0.060 0.000 0.628 193 A CB -1.025 18.008 19.000 0.055 0.000 0.816 193 A HN 0.306 nan 8.150 nan 0.000 0.444 194 S N -0.119 115.584 115.700 0.004 0.000 2.383 194 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 194 S C 1.862 176.424 174.600 -0.063 0.000 1.030 194 S CA 1.441 59.626 58.200 -0.026 0.000 1.002 194 S CB -0.514 62.671 63.200 -0.024 0.000 0.829 194 S HN 0.337 nan 8.310 nan 0.000 0.467 195 V N 1.716 121.582 119.914 -0.079 0.000 2.295 195 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 195 V C 2.662 178.663 176.094 -0.154 0.000 1.049 195 V CA 2.098 64.319 62.300 -0.132 0.000 1.024 195 V CB -0.730 30.998 31.823 -0.159 0.000 0.648 195 V HN 0.386 nan 8.190 nan 0.000 0.447 196 Q N 0.587 120.316 119.800 -0.118 0.000 2.084 196 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 196 Q C 1.913 177.841 176.000 -0.121 0.000 0.978 196 Q CA 2.334 58.061 55.803 -0.127 0.000 0.844 196 Q CB -0.530 28.158 28.738 -0.083 0.000 0.898 196 Q HN 0.762 nan 8.270 nan 0.000 0.426 197 N N -0.736 117.913 118.700 -0.085 0.000 2.039 197 N HA -0.132 4.608 4.740 -0.000 0.000 0.193 197 N C 1.764 177.222 175.510 -0.086 0.000 1.044 197 N CA 1.441 54.451 53.050 -0.066 0.000 0.847 197 N CB -0.187 38.277 38.487 -0.039 0.000 1.030 197 N HN 0.228 nan 8.380 nan 0.000 0.422 198 I N 0.597 121.107 120.570 -0.101 0.000 2.264 198 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 198 I C 1.829 177.842 176.117 -0.173 0.000 1.111 198 I CA 0.946 62.177 61.300 -0.115 0.000 1.382 198 I CB -0.079 37.852 38.000 -0.114 0.000 1.060 198 I HN 0.155 nan 8.210 nan 0.000 0.418 199 I N 0.658 121.067 120.570 -0.269 0.000 2.439 199 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 199 I C 2.026 177.989 176.117 -0.257 0.000 1.139 199 I CA 1.583 62.600 61.300 -0.471 0.000 1.438 199 I CB -0.613 36.945 38.000 -0.737 0.000 1.085 199 I HN 0.200 nan 8.210 nan 0.000 0.427 200 N N 0.145 118.755 118.700 -0.150 0.000 2.188 200 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 200 N C 1.328 176.824 175.510 -0.023 0.000 1.018 200 N CA 1.057 54.071 53.050 -0.060 0.000 0.858 200 N CB -0.156 38.298 38.487 -0.054 0.000 0.989 200 N HN 0.462 nan 8.380 nan 0.000 0.426 201 N N -0.010 118.669 118.700 -0.036 0.000 2.467 201 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 201 N C -0.072 175.439 175.510 0.002 0.000 1.106 201 N CA -0.061 52.980 53.050 -0.015 0.000 0.892 201 N CB 0.281 38.754 38.487 -0.024 0.000 0.969 201 N HN -0.016 nan 8.380 nan 0.000 0.454 202 S N 1.126 116.832 115.700 0.011 0.000 2.416 202 S HA 0.093 4.563 4.470 -0.000 0.000 0.287 202 S C 1.043 175.705 174.600 0.104 0.000 1.139 202 S CA -0.604 57.631 58.200 0.058 0.000 1.058 202 S CB 0.777 64.024 63.200 0.078 0.000 0.967 202 S HN 0.130 nan 8.310 nan 0.000 0.495 203 E N 3.733 123.972 120.200 0.065 0.000 2.106 203 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 203 E C 1.523 178.155 176.600 0.053 0.000 0.984 203 E CA 1.053 57.484 56.400 0.051 0.000 0.806 203 E CB 0.026 29.742 29.700 0.027 0.000 0.750 203 E HN 0.788 nan 8.360 nan 0.000 0.458 204 E N 0.457 120.693 120.200 0.060 0.000 2.051 204 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 204 E C 1.901 178.517 176.600 0.027 0.000 0.991 204 E CA 0.820 57.242 56.400 0.038 0.000 0.799 204 E CB -0.216 29.513 29.700 0.048 0.000 0.748 204 E HN 0.149 nan 8.360 nan 0.000 0.449 205 F N 1.559 121.493 119.950 -0.027 0.000 2.069 205 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 205 F C 2.332 178.115 175.800 -0.028 0.000 1.113 205 F CA 1.666 59.648 58.000 -0.032 0.000 1.214 205 F CB -0.354 38.624 39.000 -0.037 0.000 0.978 205 F HN -0.050 nan 8.300 nan 0.000 0.474 206 A N 0.062 122.971 122.820 0.148 0.000 1.978 206 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 206 A C 2.342 179.898 177.584 -0.046 0.000 1.170 206 A CA 1.856 53.932 52.037 0.067 0.000 0.636 206 A CB -1.507 17.544 19.000 0.085 0.000 0.810 206 A HN 0.526 nan 8.150 nan 0.000 0.448 207 A N -0.145 122.639 122.820 -0.059 0.000 1.855 207 A HA 0.209 4.529 4.320 -0.000 0.000 0.215 207 A C 2.546 180.055 177.584 -0.126 0.000 1.191 207 A CA 1.990 53.984 52.037 -0.072 0.000 0.613 207 A CB -1.157 17.815 19.000 -0.048 0.000 0.829 207 A HN 1.093 nan 8.150 nan 0.000 0.442 208 A N -0.557 122.139 122.820 -0.208 0.000 1.908 208 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 208 A C 2.260 179.684 177.584 -0.267 0.000 1.181 208 A CA 1.969 53.848 52.037 -0.264 0.000 0.627 208 A CB -1.062 17.692 19.000 -0.411 0.000 0.818 208 A HN 0.404 nan 8.150 nan 0.000 0.445 209 V N 0.007 119.721 119.914 -0.334 0.000 2.295 209 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 209 V C 2.578 178.601 176.094 -0.117 0.000 1.049 209 V CA 2.566 64.729 62.300 -0.229 0.000 1.024 209 V CB -0.618 31.099 31.823 -0.178 0.000 0.648 209 V HN 0.684 nan 8.190 nan 0.000 0.447 210 K N 0.456 120.798 120.400 -0.097 0.000 2.044 210 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 210 K C 2.126 178.695 176.600 -0.052 0.000 1.049 210 K CA 1.541 57.794 56.287 -0.057 0.000 0.927 210 K CB -0.223 32.250 32.500 -0.045 0.000 0.713 210 K HN 0.312 nan 8.250 nan 0.000 0.443 211 K N 0.317 120.677 120.400 -0.067 0.000 2.032 211 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 211 K C 2.120 178.693 176.600 -0.045 0.000 1.048 211 K CA 1.637 57.892 56.287 -0.055 0.000 0.927 211 K CB -0.404 32.058 32.500 -0.063 0.000 0.712 211 K HN 0.203 nan 8.250 nan 0.000 0.441 212 R N -0.047 120.418 120.500 -0.058 0.000 2.357 212 R HA -0.056 4.283 4.340 -0.000 0.000 0.202 212 R C 0.948 177.235 176.300 -0.022 0.000 1.047 212 R CA 0.639 56.713 56.100 -0.043 0.000 1.034 212 R CB -0.256 30.006 30.300 -0.064 0.000 0.875 212 R HN 0.578 nan 8.270 nan 0.000 0.473 213 G N 0.464 109.252 108.800 -0.020 0.000 2.157 213 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 213 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 213 G C 0.144 175.042 174.900 -0.004 0.000 0.979 213 G CA -0.340 44.756 45.100 -0.007 0.000 0.650 213 G HN 0.250 nan 8.290 nan 0.000 0.529 214 I N 1.696 122.259 120.570 -0.011 0.000 2.337 214 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 214 I C 1.817 177.930 176.117 -0.006 0.000 1.046 214 I CA -0.073 61.225 61.300 -0.005 0.000 1.324 214 I CB 1.179 39.177 38.000 -0.005 0.000 1.409 214 I HN 0.056 nan 8.210 nan 0.000 0.494 215 T N 3.239 117.792 114.554 -0.001 0.000 2.698 215 T HA -0.113 4.236 4.350 -0.000 0.000 0.260 215 T C 0.672 175.372 174.700 0.001 0.000 1.044 215 T CA 1.223 63.323 62.100 -0.001 0.000 1.149 215 T CB -0.008 68.860 68.868 0.000 0.000 0.864 215 T HN 0.538 nan 8.240 nan 0.000 0.419 216 D N 0.435 120.837 120.400 0.003 0.000 2.441 216 D HA 0.481 5.121 4.640 -0.000 0.000 0.231 216 D C 0.351 176.659 176.300 0.013 0.000 1.073 216 D CA -0.270 53.733 54.000 0.006 0.000 0.850 216 D CB 1.483 42.284 40.800 0.002 0.000 1.062 216 D HN 0.200 nan 8.370 nan 0.000 0.524 217 A N 3.925 126.757 122.820 0.020 0.000 2.239 217 A HA -0.085 4.234 4.320 -0.000 0.000 0.209 217 A C 1.729 179.333 177.584 0.034 0.000 1.171 217 A CA 0.872 52.932 52.037 0.040 0.000 0.768 217 A CB 0.018 19.051 19.000 0.054 0.000 0.790 217 A HN 0.480 nan 8.150 nan 0.000 0.478 218 K N -0.379 120.031 120.400 0.015 0.000 2.314 218 K HA 0.043 4.363 4.320 -0.000 0.000 0.198 218 K C 1.358 177.954 176.600 -0.006 0.000 1.045 218 K CA 0.795 57.084 56.287 0.003 0.000 0.988 218 K CB 0.090 32.589 32.500 -0.001 0.000 0.783 218 K HN 0.339 nan 8.250 nan 0.000 0.484 219 K N 0.597 120.996 120.400 -0.002 0.000 2.444 219 K HA 0.076 4.396 4.320 -0.000 0.000 0.193 219 K C -0.264 176.335 176.600 -0.003 0.000 1.024 219 K CA 0.062 56.346 56.287 -0.006 0.000 1.077 219 K CB 0.602 33.100 32.500 -0.003 0.000 0.833 219 K HN -0.125 nan 8.250 nan 0.000 0.517 220 V N 3.202 123.120 119.914 0.007 0.000 2.455 220 V HA 0.071 4.191 4.120 -0.000 0.000 0.273 220 V C -0.028 176.040 176.094 -0.044 0.000 1.045 220 V CA -0.272 62.040 62.300 0.020 0.000 0.976 220 V CB 0.680 32.554 31.823 0.085 0.000 0.993 220 V HN 0.124 nan 8.190 nan 0.000 0.475 221 I N 5.282 125.806 120.570 -0.077 0.000 2.312 221 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 221 I C 0.727 176.756 176.117 -0.147 0.000 1.008 221 I CA -0.053 61.102 61.300 -0.243 0.000 1.226 221 I CB 1.249 38.858 38.000 -0.652 0.000 1.371 221 I HN 0.721 nan 8.210 nan 0.000 0.468 222 T N 2.339 116.791 114.554 -0.170 0.000 2.881 222 T HA 0.756 5.105 4.350 -0.000 0.000 0.278 222 T C 0.150 174.791 174.700 -0.099 0.000 0.982 222 T CA -0.498 61.537 62.100 -0.108 0.000 0.989 222 T CB 1.784 70.557 68.868 -0.158 0.000 1.058 222 T HN 0.683 nan 8.240 nan 0.000 0.529 223 T N -0.560 113.977 114.554 -0.028 0.000 2.971 223 T HA 0.608 4.958 4.350 -0.000 0.000 0.304 223 T C -3.272 171.387 174.700 -0.068 0.000 1.038 223 T CA -1.741 60.357 62.100 -0.002 0.000 1.007 223 T CB 1.930 70.894 68.868 0.160 0.000 1.055 223 T HN 0.561 nan 8.240 nan 0.000 0.451 224 P HA 0.472 nan 4.420 nan 0.000 0.284 224 P C -0.802 176.472 177.300 -0.042 0.000 1.432 224 P CA -0.592 62.369 63.100 -0.230 0.000 0.929 224 P CB 0.542 31.921 31.700 -0.535 0.000 1.158 225 L N 3.107 124.381 121.223 0.084 0.000 2.317 225 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 225 L C 1.108 178.124 176.870 0.243 0.000 1.024 225 L CA -0.823 54.203 54.840 0.311 0.000 0.810 225 L CB 1.351 43.679 42.059 0.449 0.000 1.240 225 L HN 0.252 nan 8.230 nan 0.000 0.427 226 T N -1.226 113.561 114.554 0.389 0.000 2.932 226 T HA 0.125 4.475 4.350 -0.000 0.000 0.312 226 T C 1.054 175.848 174.700 0.158 0.000 1.071 226 T CA -0.474 61.740 62.100 0.192 0.000 1.128 226 T CB 1.345 70.343 68.868 0.216 0.000 0.984 226 T HN 0.541 nan 8.240 nan 0.000 0.549 227 V N -0.689 119.243 119.914 0.029 0.000 3.660 227 V HA 0.532 4.652 4.120 -0.000 0.000 0.276 227 V C 1.347 177.537 176.094 0.160 0.000 1.317 227 V CA 0.583 62.879 62.300 -0.007 0.000 1.097 227 V CB -1.513 30.224 31.823 -0.144 0.000 0.863 227 V HN 1.601 nan 8.190 nan 0.000 0.438 228 G N 0.627 109.484 108.800 0.096 0.000 2.552 228 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 228 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 228 G C -0.562 174.354 174.900 0.026 0.000 1.234 228 G CA 0.637 45.763 45.100 0.045 0.000 0.944 228 G HN 1.587 nan 8.290 nan 0.000 0.568 229 Y N -0.465 119.605 120.300 -0.382 0.000 2.330 229 Y HA 0.633 5.183 4.550 -0.000 0.000 0.324 229 Y C -0.279 175.065 175.900 -0.927 0.000 1.093 229 Y CA -1.277 56.536 58.100 -0.477 0.000 1.103 229 Y CB 0.780 38.978 38.460 -0.436 0.000 1.183 229 Y HN 0.442 nan 8.280 nan 0.000 0.433 230 F N 3.746 123.102 119.950 -0.990 0.000 2.647 230 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 230 F C 0.886 175.977 175.800 -1.181 0.000 1.106 230 F CA 0.023 57.482 58.000 -0.901 0.000 1.313 230 F CB 0.305 39.176 39.000 -0.216 0.000 1.007 230 F HN 0.663 nan 8.300 nan 0.000 0.536 231 D N 0.453 119.677 120.400 -1.960 0.000 3.041 231 D HA -0.184 4.456 4.640 -0.000 0.000 0.220 231 D C 1.323 177.423 176.300 -0.334 0.000 1.157 231 D CA 1.186 54.608 54.000 -0.963 0.000 0.876 231 D CB -1.075 39.518 40.800 -0.345 0.000 1.107 231 D HN 0.629 nan 8.370 nan 0.000 0.422 232 G N -0.744 107.872 108.800 -0.306 0.000 2.175 232 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 232 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 232 G C 1.061 175.934 174.900 -0.044 0.000 0.982 232 G CA 0.536 45.582 45.100 -0.091 0.000 0.641 232 G HN 0.434 nan 8.290 nan 0.000 0.527 233 K N 0.835 121.218 120.400 -0.027 0.000 2.432 233 K HA 0.024 4.344 4.320 -0.000 0.000 0.196 233 K C 1.786 178.346 176.600 -0.066 0.000 1.038 233 K CA 1.332 57.609 56.287 -0.017 0.000 0.986 233 K CB -0.049 32.472 32.500 0.034 0.000 0.782 233 K HN 0.676 nan 8.250 nan 0.000 0.485 234 D N 0.033 120.413 120.400 -0.033 0.000 2.355 234 D HA -0.008 4.632 4.640 -0.000 0.000 0.218 234 D C 1.041 177.330 176.300 -0.018 0.000 1.004 234 D CA 0.646 54.628 54.000 -0.029 0.000 0.880 234 D CB -0.224 40.597 40.800 0.036 0.000 0.911 234 D HN 0.169 nan 8.370 nan 0.000 0.528 235 G N 0.396 109.183 108.800 -0.021 0.000 2.198 235 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 235 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 235 G C -0.225 174.666 174.900 -0.014 0.000 1.042 235 G CA 0.322 45.410 45.100 -0.019 0.000 0.791 235 G HN 0.412 nan 8.290 nan 0.000 0.502 236 L N -0.135 121.083 121.223 -0.007 0.000 2.346 236 L HA 0.513 4.852 4.340 -0.000 0.000 0.276 236 L C 0.778 177.657 176.870 0.014 0.000 1.006 236 L CA -1.291 53.546 54.840 -0.005 0.000 0.817 236 L CB 1.784 43.835 42.059 -0.014 0.000 1.272 236 L HN 0.328 nan 8.230 nan 0.000 0.421 237 K N 1.272 121.680 120.400 0.013 0.000 2.298 237 K HA 0.136 4.456 4.320 -0.000 0.000 0.280 237 K C 0.348 176.977 176.600 0.049 0.000 1.032 237 K CA -0.537 55.767 56.287 0.029 0.000 0.958 237 K CB 1.443 33.954 32.500 0.019 0.000 0.978 237 K HN 0.394 nan 8.250 nan 0.000 0.472 238 Q N 2.259 122.103 119.800 0.074 0.000 2.224 238 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 238 Q C 0.329 176.425 176.000 0.160 0.000 0.970 238 Q CA 1.961 57.825 55.803 0.103 0.000 0.865 238 Q CB -0.031 28.760 28.738 0.088 0.000 0.922 238 Q HN 0.854 nan 8.270 nan 0.000 0.445 239 D N 0.453 120.907 120.400 0.090 0.000 2.084 239 D HA -0.054 4.586 4.640 -0.000 0.000 0.194 239 D C 0.316 176.649 176.300 0.054 0.000 0.990 239 D CA 1.348 55.371 54.000 0.039 0.000 0.826 239 D CB -0.589 40.220 40.800 0.016 0.000 0.971 239 D HN 0.363 nan 8.370 nan 0.000 0.453 240 A N 0.388 123.250 122.820 0.071 0.000 2.462 240 A HA 0.162 4.482 4.320 -0.000 0.000 0.243 240 A C 0.420 178.073 177.584 0.115 0.000 1.076 240 A CA -0.189 51.877 52.037 0.048 0.000 0.773 240 A CB 0.085 19.092 19.000 0.011 0.000 1.010 240 A HN 0.142 nan 8.150 nan 0.000 0.493 241 R N 2.498 123.023 120.500 0.042 0.000 2.235 241 R HA 0.494 4.834 4.340 -0.000 0.000 0.338 241 R C -1.179 175.108 176.300 -0.022 0.000 1.087 241 R CA -0.047 56.082 56.100 0.048 0.000 0.948 241 R CB -0.290 30.000 30.300 -0.016 0.000 1.099 241 R HN 0.688 nan 8.270 nan 0.000 0.483 242 L N 4.800 125.990 121.223 -0.055 0.000 2.319 242 L HA 0.653 4.993 4.340 -0.000 0.000 0.267 242 L C -0.629 176.175 176.870 -0.111 0.000 1.011 242 L CA -1.244 53.543 54.840 -0.088 0.000 0.818 242 L CB 1.945 43.947 42.059 -0.094 0.000 1.316 242 L HN 0.470 nan 8.230 nan 0.000 0.432 243 L N 1.087 122.237 121.223 -0.122 0.000 2.445 243 L HA 0.496 4.836 4.340 -0.000 0.000 0.262 243 L C -0.782 175.987 176.870 -0.167 0.000 0.974 243 L CA -0.641 54.123 54.840 -0.126 0.000 0.822 243 L CB 2.841 44.827 42.059 -0.122 0.000 1.339 243 L HN 0.519 nan 8.230 nan 0.000 0.409 244 K N 0.897 121.174 120.400 -0.204 0.000 2.095 244 K HA 0.762 5.082 4.320 -0.000 0.000 0.252 244 K C -1.274 175.231 176.600 -0.159 0.000 0.977 244 K CA -0.639 55.464 56.287 -0.307 0.000 0.900 244 K CB 2.189 34.242 32.500 -0.744 0.000 1.060 244 K HN 0.232 nan 8.250 nan 0.000 0.449 245 V N 3.615 123.448 119.914 -0.136 0.000 2.483 245 V HA 0.365 4.485 4.120 -0.000 0.000 0.297 245 V C -0.659 175.423 176.094 -0.021 0.000 1.027 245 V CA -0.939 61.315 62.300 -0.077 0.000 0.855 245 V CB 1.421 33.162 31.823 -0.137 0.000 0.995 245 V HN 0.595 nan 8.190 nan 0.000 0.424 246 I N 3.187 123.759 120.570 0.002 0.000 2.460 246 I HA 0.612 4.782 4.170 -0.000 0.000 0.298 246 I C 0.322 176.382 176.117 -0.095 0.000 0.989 246 I CA 0.088 61.352 61.300 -0.060 0.000 1.173 246 I CB 2.139 40.086 38.000 -0.088 0.000 1.338 246 I HN 0.627 nan 8.210 nan 0.000 0.456 247 S N 5.306 120.871 115.700 -0.225 0.000 2.542 247 S HA 0.756 5.226 4.470 -0.000 0.000 0.293 247 S C -1.204 173.109 174.600 -0.479 0.000 1.089 247 S CA -0.521 57.573 58.200 -0.176 0.000 0.961 247 S CB 1.910 65.138 63.200 0.048 0.000 1.062 247 S HN 0.329 nan 8.310 nan 0.000 0.483 248 Y N 0.532 120.850 120.300 0.030 0.000 2.570 248 Y HA 0.654 5.204 4.550 -0.000 0.000 0.345 248 Y C -0.545 175.403 175.900 0.080 0.000 1.014 248 Y CA -1.095 57.068 58.100 0.106 0.000 1.063 248 Y CB 1.032 39.608 38.460 0.193 0.000 1.272 248 Y HN 0.488 nan 8.280 nan 0.000 0.477 249 L N 2.491 123.891 121.223 0.295 0.000 2.295 249 L HA 0.400 4.740 4.340 -0.000 0.000 0.285 249 L C -0.576 176.384 176.870 0.150 0.000 1.035 249 L CA -0.374 54.563 54.840 0.163 0.000 0.806 249 L CB 0.804 42.926 42.059 0.106 0.000 1.214 249 L HN 0.594 nan 8.230 nan 0.000 0.426 250 D N 3.360 123.800 120.400 0.067 0.000 2.336 250 D HA 0.105 4.745 4.640 -0.000 0.000 0.249 250 D C 0.630 176.894 176.300 -0.059 0.000 1.213 250 D CA -0.051 53.974 54.000 0.042 0.000 0.870 250 D CB 1.179 41.991 40.800 0.020 0.000 1.076 250 D HN 0.372 nan 8.370 nan 0.000 0.483 251 V N 1.606 121.413 119.914 -0.178 0.000 3.444 251 V HA 0.430 4.550 4.120 -0.000 0.000 0.308 251 V C 1.229 177.263 176.094 -0.099 0.000 1.371 251 V CA 0.298 62.473 62.300 -0.209 0.000 1.141 251 V CB -0.215 31.362 31.823 -0.410 0.000 1.037 251 V HN 0.693 nan 8.190 nan 0.000 0.433 252 G N 2.199 110.971 108.800 -0.047 0.000 2.147 252 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 252 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 252 G C 0.234 175.123 174.900 -0.018 0.000 1.005 252 G CA 0.567 45.654 45.100 -0.022 0.000 0.713 252 G HN 0.852 nan 8.290 nan 0.000 0.515 253 D N -0.728 119.674 120.400 0.004 0.000 2.369 253 D HA 0.363 5.003 4.640 -0.000 0.000 0.211 253 D C 1.794 178.050 176.300 -0.073 0.000 1.077 253 D CA 0.540 54.541 54.000 0.000 0.000 0.842 253 D CB -0.508 40.344 40.800 0.087 0.000 0.947 253 D HN 1.505 nan 8.370 nan 0.000 0.509 254 G N 0.751 109.517 108.800 -0.057 0.000 2.162 254 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 254 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 254 G C 0.082 174.908 174.900 -0.123 0.000 0.976 254 G CA 0.227 45.254 45.100 -0.123 0.000 0.655 254 G HN 0.582 nan 8.290 nan 0.000 0.533 255 N N -0.025 118.688 118.700 0.021 0.000 2.762 255 N HA 0.441 5.180 4.740 -0.000 0.000 0.252 255 N C 0.979 176.594 175.510 0.173 0.000 1.269 255 N CA -0.621 52.499 53.050 0.116 0.000 0.799 255 N CB 0.149 38.719 38.487 0.140 0.000 1.173 255 N HN 0.328 nan 8.380 nan 0.000 0.516 256 Y N 0.296 120.635 120.300 0.065 0.000 2.352 256 Y HA 0.092 4.642 4.550 -0.000 0.000 0.292 256 Y C 1.180 177.072 175.900 -0.013 0.000 1.136 256 Y CA 0.464 58.600 58.100 0.059 0.000 1.227 256 Y CB -0.714 37.651 38.460 -0.159 0.000 0.991 256 Y HN 0.338 nan 8.280 nan 0.000 0.545 257 W N 1.297 122.357 121.300 -0.400 0.000 2.359 257 W HA -0.077 4.583 4.660 -0.000 0.000 0.275 257 W C 2.354 178.933 176.519 0.101 0.000 1.217 257 W CA 1.382 58.491 57.345 -0.393 0.000 1.196 257 W CB -0.291 28.932 29.460 -0.396 0.000 1.129 257 W HN 0.206 nan 8.180 nan 0.000 0.566 258 A N -0.732 122.208 122.820 0.200 0.000 2.238 258 A HA 0.014 4.334 4.320 -0.000 0.000 0.208 258 A C 0.237 177.634 177.584 -0.313 0.000 1.177 258 A CA 0.465 52.546 52.037 0.073 0.000 0.804 258 A CB -0.632 18.254 19.000 -0.190 0.000 0.823 258 A HN 0.357 nan 8.150 nan 0.000 0.482 259 H N 0.064 119.408 119.070 0.456 0.000 2.448 259 H HA 0.279 4.835 4.556 -0.000 0.000 0.237 259 H C -3.129 172.431 175.328 0.386 0.000 1.391 259 H CA -2.092 54.169 56.048 0.354 0.000 1.477 259 H CB 0.305 30.222 29.762 0.259 0.000 1.520 259 H HN 0.229 nan 8.280 nan 0.000 0.502 260 P HA 0.225 nan 4.420 nan 0.000 0.277 260 P C 0.254 177.576 177.300 0.036 0.000 1.240 260 P CA -0.536 62.635 63.100 0.118 0.000 0.798 260 P CB 1.485 33.286 31.700 0.167 0.000 0.979 261 I N 1.074 121.577 120.570 -0.112 0.000 2.388 261 I HA 0.272 4.442 4.170 -0.000 0.000 0.281 261 I C 0.626 176.706 176.117 -0.061 0.000 1.046 261 I CA -0.683 60.585 61.300 -0.053 0.000 1.187 261 I CB 0.470 38.438 38.000 -0.052 0.000 1.351 261 I HN 0.164 nan 8.210 nan 0.000 0.472 262 E N 4.616 124.819 120.200 0.003 0.000 2.360 262 E HA 0.168 4.518 4.350 -0.000 0.000 0.269 262 E C 0.074 176.689 176.600 0.025 0.000 1.022 262 E CA 0.386 56.809 56.400 0.039 0.000 0.887 262 E CB 0.268 30.023 29.700 0.093 0.000 0.990 262 E HN 0.519 nan 8.360 nan 0.000 0.426 263 N N 1.124 119.848 118.700 0.041 0.000 2.815 263 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 263 N C -1.258 174.253 175.510 0.002 0.000 1.114 263 N CA 0.274 53.349 53.050 0.041 0.000 0.717 263 N CB -1.015 37.501 38.487 0.047 0.000 1.074 263 N HN 0.212 nan 8.380 nan 0.000 0.555 264 L N 0.277 121.486 121.223 -0.022 0.000 2.372 264 L HA 0.686 5.026 4.340 -0.000 0.000 0.273 264 L C -1.064 175.803 176.870 -0.006 0.000 0.989 264 L CA -0.835 53.978 54.840 -0.046 0.000 0.841 264 L CB 1.763 43.756 42.059 -0.109 0.000 1.225 264 L HN -0.116 nan 8.230 nan 0.000 0.414 265 V N 3.769 123.691 119.914 0.013 0.000 2.656 265 V HA 0.950 5.069 4.120 -0.000 0.000 0.307 265 V C -0.092 176.029 176.094 0.045 0.000 1.051 265 V CA -0.360 61.951 62.300 0.019 0.000 0.893 265 V CB 1.549 33.365 31.823 -0.012 0.000 0.999 265 V HN 0.931 nan 8.190 nan 0.000 0.426 266 A N 3.565 126.416 122.820 0.051 0.000 2.343 266 A HA 0.876 5.196 4.320 -0.000 0.000 0.316 266 A C -0.921 176.614 177.584 -0.082 0.000 1.104 266 A CA -0.592 51.474 52.037 0.048 0.000 0.768 266 A CB 1.725 20.803 19.000 0.130 0.000 1.213 266 A HN 0.706 nan 8.150 nan 0.000 0.456 267 V N 2.764 122.625 119.914 -0.089 0.000 2.394 267 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 267 V C -0.182 175.851 176.094 -0.102 0.000 1.031 267 V CA -0.456 61.766 62.300 -0.130 0.000 0.881 267 V CB 1.294 33.040 31.823 -0.128 0.000 0.982 267 V HN 0.629 nan 8.190 nan 0.000 0.451 268 V N 3.588 123.432 119.914 -0.116 0.000 2.459 268 V HA 0.393 4.512 4.120 -0.000 0.000 0.295 268 V C -0.258 175.784 176.094 -0.087 0.000 1.029 268 V CA -0.567 61.672 62.300 -0.102 0.000 0.874 268 V CB 2.021 33.770 31.823 -0.123 0.000 0.985 268 V HN 0.891 nan 8.190 nan 0.000 0.438 269 D N 4.169 124.528 120.400 -0.068 0.000 2.428 269 D HA 0.260 4.900 4.640 -0.000 0.000 0.221 269 D C 0.947 177.214 176.300 -0.054 0.000 1.123 269 D CA -0.196 53.771 54.000 -0.055 0.000 0.869 269 D CB 1.418 42.193 40.800 -0.041 0.000 1.032 269 D HN 0.463 nan 8.370 nan 0.000 0.506 270 L N 2.650 123.838 121.223 -0.058 0.000 2.353 270 L HA -0.108 4.232 4.340 -0.000 0.000 0.220 270 L C 2.104 178.948 176.870 -0.043 0.000 1.133 270 L CA 0.679 55.486 54.840 -0.054 0.000 0.798 270 L CB 0.046 42.070 42.059 -0.058 0.000 0.922 270 L HN 0.347 nan 8.230 nan 0.000 0.445 271 E N -0.090 120.084 120.200 -0.043 0.000 2.075 271 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 271 E C 2.074 178.658 176.600 -0.026 0.000 0.969 271 E CA 0.799 57.177 56.400 -0.037 0.000 0.815 271 E CB -0.016 29.657 29.700 -0.044 0.000 0.776 271 E HN 0.559 nan 8.360 nan 0.000 0.457 272 Q N 0.605 120.388 119.800 -0.027 0.000 2.435 272 Q HA -0.011 4.329 4.340 -0.000 0.000 0.207 272 Q C -0.048 175.938 176.000 -0.024 0.000 0.956 272 Q CA 0.187 55.977 55.803 -0.022 0.000 0.917 272 Q CB 0.214 28.938 28.738 -0.023 0.000 0.997 272 Q HN -0.024 nan 8.270 nan 0.000 0.497 273 K N 1.269 121.651 120.400 -0.031 0.000 3.148 273 K HA -0.182 4.137 4.320 -0.000 0.000 0.267 273 K C -0.670 175.906 176.600 -0.039 0.000 0.996 273 K CA 1.206 57.472 56.287 -0.035 0.000 0.737 273 K CB -1.646 30.839 32.500 -0.025 0.000 1.308 273 K HN 0.567 nan 8.250 nan 0.000 0.470 274 K N -1.544 118.830 120.400 -0.044 0.000 2.556 274 K HA 0.510 4.830 4.320 -0.000 0.000 0.274 274 K C -0.127 176.443 176.600 -0.051 0.000 0.966 274 K CA -1.115 55.146 56.287 -0.043 0.000 0.865 274 K CB 1.311 33.794 32.500 -0.028 0.000 1.444 274 K HN -0.034 nan 8.250 nan 0.000 0.433 275 I N 2.821 123.361 120.570 -0.049 0.000 2.517 275 I HA -0.034 4.136 4.170 -0.000 0.000 0.285 275 I C 1.143 177.245 176.117 -0.025 0.000 1.106 275 I CA -0.493 60.782 61.300 -0.043 0.000 1.402 275 I CB 1.117 39.107 38.000 -0.015 0.000 1.399 275 I HN 0.587 nan 8.210 nan 0.000 0.535 276 V N 2.570 122.464 119.914 -0.033 0.000 3.621 276 V HA 0.320 4.439 4.120 -0.000 0.000 0.285 276 V C 0.416 176.497 176.094 -0.022 0.000 1.346 276 V CA 0.213 62.498 62.300 -0.026 0.000 1.104 276 V CB -0.625 31.179 31.823 -0.032 0.000 0.913 276 V HN 0.837 nan 8.190 nan 0.000 0.432 277 K N 0.219 120.608 120.400 -0.018 0.000 2.600 277 K HA 0.573 4.893 4.320 -0.000 0.000 0.262 277 K C -2.066 174.535 176.600 0.002 0.000 0.935 277 K CA -0.608 55.671 56.287 -0.014 0.000 0.866 277 K CB 2.216 34.696 32.500 -0.033 0.000 1.354 277 K HN 0.219 nan 8.250 nan 0.000 0.419 278 I N 3.177 123.753 120.570 0.011 0.000 2.447 278 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 278 I C -0.700 175.415 176.117 -0.003 0.000 1.023 278 I CA -0.668 60.647 61.300 0.025 0.000 1.083 278 I CB 2.042 40.064 38.000 0.037 0.000 1.245 278 I HN 0.500 nan 8.210 nan 0.000 0.434 279 E N 6.382 126.579 120.200 -0.004 0.000 2.145 279 E HA 0.415 4.764 4.350 -0.000 0.000 0.270 279 E C -1.091 175.504 176.600 -0.009 0.000 0.906 279 E CA -0.575 55.824 56.400 -0.003 0.000 0.761 279 E CB 1.948 31.654 29.700 0.010 0.000 1.116 279 E HN 0.496 nan 8.360 nan 0.000 0.408 280 E N 1.596 121.788 120.200 -0.014 0.000 2.224 280 E HA 0.481 4.831 4.350 -0.000 0.000 0.265 280 E C -0.459 176.138 176.600 -0.006 0.000 0.878 280 E CA -0.692 55.694 56.400 -0.023 0.000 0.759 280 E CB 2.188 31.862 29.700 -0.044 0.000 1.164 280 E HN 0.549 nan 8.360 nan 0.000 0.414 281 G N 2.382 111.183 108.800 0.002 0.000 2.932 281 G HA2 0.559 4.519 3.960 -0.000 0.000 0.283 281 G HA3 0.559 4.519 3.960 -0.000 0.000 0.283 281 G C -2.611 172.293 174.900 0.008 0.000 1.336 281 G CA -1.507 43.602 45.100 0.016 0.000 1.056 281 G HN 0.256 nan 8.290 nan 0.000 0.522 282 P HA 0.150 nan 4.420 nan 0.000 0.266 282 P C 0.028 177.335 177.300 0.012 0.000 1.195 282 P CA -0.224 62.883 63.100 0.012 0.000 0.768 282 P CB 0.838 32.549 31.700 0.019 0.000 0.838 283 V N 4.280 124.196 119.914 0.003 0.000 2.521 283 V HA 0.065 4.184 4.120 -0.000 0.000 0.286 283 V C 0.544 176.647 176.094 0.014 0.000 1.034 283 V CA 0.228 62.528 62.300 0.001 0.000 1.045 283 V CB 0.830 32.649 31.823 -0.006 0.000 0.974 283 V HN 0.252 nan 8.190 nan 0.000 0.480 284 V N 7.096 127.022 119.914 0.020 0.000 2.443 284 V HA 0.360 4.480 4.120 -0.000 0.000 0.293 284 V C -2.328 173.788 176.094 0.036 0.000 1.021 284 V CA -1.961 60.358 62.300 0.033 0.000 0.848 284 V CB 1.648 33.498 31.823 0.045 0.000 0.998 284 V HN 0.732 nan 8.190 nan 0.000 0.424 285 P HA 0.072 nan 4.420 nan 0.000 0.265 285 P C -0.176 177.164 177.300 0.067 0.000 1.187 285 P CA 0.078 63.205 63.100 0.044 0.000 0.766 285 P CB 0.456 32.180 31.700 0.041 0.000 0.820 286 V N 5.577 125.537 119.914 0.077 0.000 2.637 286 V HA 0.123 4.243 4.120 -0.000 0.000 0.296 286 V C -1.854 174.333 176.094 0.154 0.000 1.046 286 V CA -1.221 61.151 62.300 0.119 0.000 1.066 286 V CB 0.211 32.105 31.823 0.118 0.000 0.968 286 V HN 0.577 nan 8.190 nan 0.000 0.483 287 P HA 0.175 nan 4.420 nan 0.000 0.270 287 P C 0.297 177.809 177.300 0.354 0.000 1.242 287 P CA -0.017 63.221 63.100 0.230 0.000 0.768 287 P CB 0.454 32.277 31.700 0.205 0.000 0.820 288 M N 0.214 119.984 119.600 0.283 0.000 2.514 288 M HA 0.057 4.537 4.480 -0.000 0.000 0.258 288 M C 0.391 176.854 176.300 0.271 0.000 1.159 288 M CA 0.626 56.074 55.300 0.246 0.000 1.116 288 M CB -1.002 31.670 32.600 0.119 0.000 1.333 288 M HN 0.133 nan 8.290 nan 0.000 0.487 289 T N 2.493 117.220 114.554 0.289 0.000 2.831 289 T HA 0.269 4.619 4.350 -0.000 0.000 0.291 289 T C 0.473 175.384 174.700 0.351 0.000 0.981 289 T CA -0.201 62.054 62.100 0.260 0.000 1.174 289 T CB 0.283 69.293 68.868 0.236 0.000 0.929 289 T HN 0.357 nan 8.240 nan 0.000 0.532 290 A N 4.899 127.865 122.820 0.244 0.000 2.545 290 A HA 0.260 4.580 4.320 -0.000 0.000 0.253 290 A C 0.700 178.387 177.584 0.172 0.000 1.074 290 A CA -0.065 52.105 52.037 0.221 0.000 0.760 290 A CB 0.112 19.172 19.000 0.101 0.000 1.005 290 A HN 0.651 nan 8.150 nan 0.000 0.506 291 R N 3.387 123.983 120.500 0.159 0.000 2.629 291 R HA 0.291 4.631 4.340 -0.000 0.000 0.277 291 R C -3.091 173.179 176.300 -0.051 0.000 1.637 291 R CA -1.834 54.272 56.100 0.011 0.000 1.663 291 R CB 0.917 31.169 30.300 -0.080 0.000 1.228 291 R HN 0.504 nan 8.270 nan 0.000 0.632 292 P HA 0.120 nan 4.420 nan 0.000 0.275 292 P C 0.168 177.383 177.300 -0.141 0.000 1.228 292 P CA -0.250 62.745 63.100 -0.174 0.000 0.786 292 P CB 0.368 31.977 31.700 -0.151 0.000 0.927 293 F N -0.031 119.850 119.950 -0.115 0.000 2.706 293 F HA 0.270 4.796 4.527 -0.000 0.000 0.313 293 F C 0.830 176.578 175.800 -0.087 0.000 1.096 293 F CA -0.383 57.536 58.000 -0.135 0.000 1.219 293 F CB -0.713 38.178 39.000 -0.181 0.000 1.051 293 F HN 0.099 nan 8.300 nan 0.000 0.568 294 D N 0.033 120.258 120.400 -0.291 0.000 2.328 294 D HA 0.206 4.846 4.640 -0.000 0.000 0.221 294 D C 1.826 178.087 176.300 -0.066 0.000 1.072 294 D CA 0.444 54.356 54.000 -0.146 0.000 0.850 294 D CB -0.100 40.533 40.800 -0.278 0.000 0.922 294 D HN 0.460 nan 8.370 nan 0.000 0.516 295 G N 1.927 110.695 108.800 -0.053 0.000 2.159 295 G HA2 -0.440 3.519 3.960 -0.000 0.000 0.256 295 G HA3 -0.440 3.519 3.960 -0.000 0.000 0.256 295 G C 1.206 176.083 174.900 -0.038 0.000 0.977 295 G CA 0.531 45.613 45.100 -0.030 0.000 0.652 295 G HN 0.596 nan 8.290 nan 0.000 0.531 296 R N 0.454 120.918 120.500 -0.061 0.000 2.127 296 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 296 R C 1.601 177.882 176.300 -0.032 0.000 1.134 296 R CA 2.084 58.154 56.100 -0.050 0.000 0.975 296 R CB -0.470 29.790 30.300 -0.067 0.000 0.865 296 R HN 0.436 nan 8.270 nan 0.000 0.447 297 D N -0.339 120.044 120.400 -0.029 0.000 2.349 297 D HA 0.066 4.706 4.640 -0.000 0.000 0.214 297 D C 0.076 176.371 176.300 -0.008 0.000 1.063 297 D CA -0.112 53.879 54.000 -0.015 0.000 0.847 297 D CB 0.193 40.985 40.800 -0.013 0.000 0.933 297 D HN 0.039 nan 8.370 nan 0.000 0.513 298 R N -0.053 120.442 120.500 -0.009 0.000 2.892 298 R HA 0.695 5.035 4.340 -0.000 0.000 0.265 298 R C -0.888 175.411 176.300 -0.002 0.000 1.025 298 R CA -1.023 55.075 56.100 -0.003 0.000 0.982 298 R CB 2.305 32.603 30.300 -0.003 0.000 1.185 298 R HN -0.136 nan 8.270 nan 0.000 0.484 299 V N 0.735 120.650 119.914 0.002 0.000 2.524 299 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 299 V C -0.002 176.095 176.094 0.005 0.000 1.035 299 V CA -1.226 61.076 62.300 0.003 0.000 0.867 299 V CB 1.571 33.397 31.823 0.004 0.000 1.004 299 V HN 0.913 nan 8.190 nan 0.000 0.426 300 A N 6.672 129.495 122.820 0.004 0.000 2.407 300 A HA 0.746 5.066 4.320 -0.000 0.000 0.248 300 A C -1.658 175.929 177.584 0.006 0.000 1.082 300 A CA -0.930 51.110 52.037 0.006 0.000 0.785 300 A CB -0.023 18.980 19.000 0.005 0.000 1.020 300 A HN 0.728 nan 8.150 nan 0.000 0.489 301 P HA 0.408 nan 4.420 nan 0.000 0.280 301 P C -0.222 177.082 177.300 0.007 0.000 1.244 301 P CA -0.023 63.081 63.100 0.007 0.000 0.784 301 P CB 1.129 32.833 31.700 0.007 0.000 0.913 302 A N 3.242 126.065 122.820 0.006 0.000 2.483 302 A HA 0.407 4.727 4.320 -0.000 0.000 0.238 302 A C 0.085 177.673 177.584 0.006 0.000 1.070 302 A CA -0.093 51.948 52.037 0.007 0.000 0.770 302 A CB 0.075 19.079 19.000 0.007 0.000 1.008 302 A HN 0.431 nan 8.150 nan 0.000 0.497 303 V N 2.307 122.225 119.914 0.006 0.000 2.962 303 V HA 0.347 4.467 4.120 -0.000 0.000 0.313 303 V C 0.025 176.122 176.094 0.005 0.000 1.099 303 V CA -0.906 61.397 62.300 0.005 0.000 0.971 303 V CB 2.133 33.960 31.823 0.006 0.000 1.028 303 V HN 0.964 nan 8.190 nan 0.000 0.430 304 K N 3.431 123.834 120.400 0.004 0.000 2.144 304 K HA 0.467 4.787 4.320 -0.000 0.000 0.270 304 K C -2.302 174.301 176.600 0.005 0.000 1.005 304 K CA -1.336 54.952 56.287 0.003 0.000 0.932 304 K CB 0.771 33.270 32.500 -0.001 0.000 1.021 304 K HN 0.498 nan 8.250 nan 0.000 0.462 305 P HA -0.005 nan 4.420 nan 0.000 0.269 305 P C -1.011 176.294 177.300 0.010 0.000 1.209 305 P CA 0.060 63.166 63.100 0.011 0.000 0.776 305 P CB 0.628 32.336 31.700 0.015 0.000 0.876 306 M N 2.228 121.835 119.600 0.013 0.000 2.267 306 M HA 0.283 4.762 4.480 -0.000 0.000 0.289 306 M C -1.646 174.667 176.300 0.022 0.000 1.043 306 M CA -0.336 54.971 55.300 0.012 0.000 0.928 306 M CB 2.143 34.747 32.600 0.007 0.000 1.613 306 M HN 0.354 nan 8.290 nan 0.000 0.450 307 Q N 4.454 124.272 119.800 0.029 0.000 2.389 307 Q HA 0.646 4.985 4.340 -0.000 0.000 0.277 307 Q C -1.435 174.593 176.000 0.048 0.000 1.082 307 Q CA -0.797 55.035 55.803 0.047 0.000 0.810 307 Q CB 3.326 32.109 28.738 0.075 0.000 1.374 307 Q HN 0.741 nan 8.270 nan 0.000 0.422 308 I N 3.335 123.941 120.570 0.060 0.000 2.390 308 I HA 0.412 4.582 4.170 -0.000 0.000 0.283 308 I C -0.406 175.767 176.117 0.093 0.000 1.016 308 I CA -0.607 60.731 61.300 0.063 0.000 1.151 308 I CB 0.691 38.728 38.000 0.060 0.000 1.293 308 I HN 0.500 nan 8.210 nan 0.000 0.458 309 I N 2.220 122.837 120.570 0.079 0.000 2.648 309 I HA 0.625 4.795 4.170 -0.000 0.000 0.304 309 I C -0.665 175.434 176.117 -0.029 0.000 1.009 309 I CA -0.507 60.841 61.300 0.079 0.000 1.114 309 I CB 2.021 40.076 38.000 0.092 0.000 1.293 309 I HN 0.500 nan 8.210 nan 0.000 0.449 310 E N 5.426 125.583 120.200 -0.073 0.000 2.873 310 E HA 0.241 4.591 4.350 -0.000 0.000 0.232 310 E C -2.134 174.308 176.600 -0.263 0.000 1.123 310 E CA -1.505 54.833 56.400 -0.103 0.000 0.809 310 E CB 1.334 31.037 29.700 0.003 0.000 1.366 310 E HN 0.558 nan 8.360 nan 0.000 0.400 311 P HA -0.141 nan 4.420 nan 0.000 0.225 311 P C 0.340 177.465 177.300 -0.290 0.000 1.148 311 P CA 1.031 63.638 63.100 -0.823 0.000 0.779 311 P CB 0.407 31.603 31.700 -0.839 0.000 0.780 312 E N -0.432 119.671 120.200 -0.161 0.000 2.501 312 E HA 0.359 4.709 4.350 -0.000 0.000 0.200 312 E C 0.871 177.447 176.600 -0.039 0.000 1.016 312 E CA -0.030 56.328 56.400 -0.069 0.000 0.921 312 E CB 0.302 29.967 29.700 -0.058 0.000 1.034 312 E HN 0.194 nan 8.360 nan 0.000 0.468 313 G N 1.477 110.256 108.800 -0.034 0.000 2.548 313 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.208 313 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.208 313 G C -0.842 174.008 174.900 -0.083 0.000 1.308 313 G CA -0.908 44.174 45.100 -0.031 0.000 0.924 313 G HN -0.035 nan 8.290 nan 0.000 0.540 314 K N 0.089 120.379 120.400 -0.183 0.000 2.139 314 K HA 0.455 4.775 4.320 -0.000 0.000 0.243 314 K C 1.116 177.585 176.600 -0.218 0.000 0.983 314 K CA -0.662 55.425 56.287 -0.334 0.000 0.890 314 K CB 0.884 32.794 32.500 -0.983 0.000 1.090 314 K HN 0.541 nan 8.250 nan 0.000 0.445 315 N N -0.282 118.380 118.700 -0.064 0.000 2.463 315 N HA -0.031 4.708 4.740 -0.000 0.000 0.181 315 N C -0.396 175.281 175.510 0.278 0.000 1.078 315 N CA 0.367 53.508 53.050 0.152 0.000 0.902 315 N CB -0.032 38.624 38.487 0.282 0.000 0.970 315 N HN 0.463 nan 8.380 nan 0.000 0.451 316 Y N -0.524 119.942 120.300 0.278 0.000 2.453 316 Y HA 0.662 5.211 4.550 -0.000 0.000 0.326 316 Y C 0.190 176.116 175.900 0.043 0.000 1.186 316 Y CA -1.573 56.650 58.100 0.205 0.000 1.200 316 Y CB 0.430 38.944 38.460 0.090 0.000 1.247 316 Y HN -0.236 nan 8.280 nan 0.000 0.482 317 T N 0.033 114.701 114.554 0.189 0.000 2.876 317 T HA 0.754 5.104 4.350 -0.000 0.000 0.289 317 T C -0.937 173.741 174.700 -0.037 0.000 1.014 317 T CA -0.750 61.361 62.100 0.019 0.000 0.986 317 T CB 1.111 69.995 68.868 0.026 0.000 1.021 317 T HN 0.698 nan 8.240 nan 0.000 0.458 318 I N 2.709 123.170 120.570 -0.183 0.000 2.420 318 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 318 I C -0.307 175.799 176.117 -0.019 0.000 1.019 318 I CA -0.764 60.418 61.300 -0.198 0.000 1.130 318 I CB 1.833 39.546 38.000 -0.478 0.000 1.262 318 I HN 0.699 nan 8.210 nan 0.000 0.454 319 T N 5.045 119.604 114.554 0.008 0.000 2.947 319 T HA 0.535 4.885 4.350 -0.000 0.000 0.337 319 T C 0.796 175.538 174.700 0.069 0.000 1.139 319 T CA 0.183 62.322 62.100 0.065 0.000 0.992 319 T CB 1.282 70.180 68.868 0.051 0.000 1.043 319 T HN 1.055 nan 8.240 nan 0.000 0.498 320 G N 3.902 112.763 108.800 0.103 0.000 2.687 320 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.303 320 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.303 320 G C 0.315 175.224 174.900 0.016 0.000 1.209 320 G CA 0.394 45.537 45.100 0.071 0.000 0.968 320 G HN 0.603 nan 8.290 nan 0.000 0.549 321 D N 1.121 121.463 120.400 -0.098 0.000 2.433 321 D HA 0.241 4.880 4.640 -0.000 0.000 0.211 321 D C 0.905 176.948 176.300 -0.428 0.000 1.114 321 D CA 0.034 53.841 54.000 -0.322 0.000 0.837 321 D CB 0.304 40.761 40.800 -0.572 0.000 0.984 321 D HN 0.366 nan 8.370 nan 0.000 0.505 322 M N 1.494 120.961 119.600 -0.223 0.000 2.143 322 M HA 0.273 4.753 4.480 -0.000 0.000 0.348 322 M C 0.001 176.138 176.300 -0.271 0.000 1.375 322 M CA 0.233 55.412 55.300 -0.202 0.000 1.124 322 M CB 1.446 34.049 32.600 0.005 0.000 1.669 322 M HN -0.271 nan 8.290 nan 0.000 0.469 323 I N 3.124 123.367 120.570 -0.546 0.000 2.392 323 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 323 I C -0.110 175.769 176.117 -0.396 0.000 0.985 323 I CA -0.601 60.333 61.300 -0.611 0.000 1.221 323 I CB 1.040 38.374 38.000 -1.110 0.000 1.366 323 I HN 0.612 nan 8.210 nan 0.000 0.467 324 H N 6.418 125.386 119.070 -0.169 0.000 2.658 324 H HA 0.275 4.831 4.556 -0.000 0.000 0.337 324 H C -2.264 173.190 175.328 0.211 0.000 1.009 324 H CA -0.584 55.473 56.048 0.014 0.000 1.231 324 H CB 1.689 31.460 29.762 0.015 0.000 1.508 324 H HN 0.740 nan 8.280 nan 0.000 0.517 325 W N 7.763 128.743 121.300 -0.533 0.000 3.132 325 W HA 0.365 5.025 4.660 -0.000 0.000 0.337 325 W C -0.186 176.192 176.519 -0.235 0.000 1.082 325 W CA -0.367 56.836 57.345 -0.236 0.000 1.242 325 W CB 0.717 30.183 29.460 0.011 0.000 1.354 325 W HN 1.027 nan 8.180 nan 0.000 0.461 326 R N 2.392 122.478 120.500 -0.690 0.000 3.883 326 R HA -0.397 3.943 4.340 -0.000 0.000 0.407 326 R C 0.813 176.815 176.300 -0.498 0.000 0.242 326 R CA 2.738 58.443 56.100 -0.658 0.000 1.306 326 R CB -1.214 28.457 30.300 -1.048 0.000 0.973 326 R HN 0.743 nan 8.270 nan 0.000 0.574 327 N N -1.080 117.263 118.700 -0.595 0.000 2.336 327 N HA 0.131 4.871 4.740 -0.000 0.000 0.189 327 N C -0.611 174.482 175.510 -0.694 0.000 1.113 327 N CA 0.018 52.602 53.050 -0.777 0.000 0.858 327 N CB 0.242 37.932 38.487 -1.329 0.000 0.970 327 N HN 0.198 nan 8.380 nan 0.000 0.471 328 W N 1.457 122.589 121.300 -0.279 0.000 2.315 328 W HA 0.332 4.992 4.660 -0.000 0.000 0.316 328 W C -0.248 176.275 176.519 0.006 0.000 1.211 328 W CA -0.608 56.736 57.345 -0.002 0.000 1.201 328 W CB 0.918 30.500 29.460 0.205 0.000 1.184 328 W HN -0.156 nan 8.180 nan 0.000 0.544 329 D N 3.606 124.282 120.400 0.460 0.000 2.788 329 D HA 0.362 5.002 4.640 -0.000 0.000 0.247 329 D C -1.024 175.507 176.300 0.385 0.000 1.236 329 D CA -0.300 53.884 54.000 0.306 0.000 0.898 329 D CB 1.923 42.898 40.800 0.292 0.000 1.401 329 D HN 0.236 nan 8.370 nan 0.000 0.549 330 F N -0.869 119.099 119.950 0.029 0.000 2.713 330 F HA 0.413 4.939 4.527 -0.000 0.000 0.311 330 F C -1.418 174.328 175.800 -0.089 0.000 1.141 330 F CA -1.017 56.964 58.000 -0.031 0.000 0.939 330 F CB 1.657 40.571 39.000 -0.143 0.000 1.325 330 F HN 0.152 nan 8.300 nan 0.000 0.453 331 H N 2.352 121.363 119.070 -0.100 0.000 2.481 331 H HA 0.640 5.195 4.556 -0.000 0.000 0.333 331 H C -1.946 173.277 175.328 -0.176 0.000 1.066 331 H CA -0.690 55.173 56.048 -0.308 0.000 1.209 331 H CB 2.025 31.424 29.762 -0.605 0.000 1.445 331 H HN 0.826 nan 8.280 nan 0.000 0.488 332 L N 5.169 126.066 121.223 -0.543 0.000 2.325 332 L HA 0.378 4.718 4.340 -0.000 0.000 0.281 332 L C -0.816 175.798 176.870 -0.427 0.000 1.004 332 L CA -0.166 54.482 54.840 -0.320 0.000 0.823 332 L CB 1.301 43.240 42.059 -0.199 0.000 1.236 332 L HN 0.672 nan 8.230 nan 0.000 0.415 333 S N 4.517 120.065 115.700 -0.254 0.000 2.627 333 S HA 0.821 5.291 4.470 -0.000 0.000 0.283 333 S C -0.769 173.718 174.600 -0.187 0.000 1.127 333 S CA -0.897 57.202 58.200 -0.167 0.000 0.863 333 S CB 1.621 64.837 63.200 0.025 0.000 1.121 333 S HN 0.716 nan 8.310 nan 0.000 0.479 334 M N 2.862 122.372 119.600 -0.150 0.000 2.436 334 M HA 0.537 5.016 4.480 -0.000 0.000 0.331 334 M C -0.982 175.238 176.300 -0.133 0.000 1.135 334 M CA -0.338 54.855 55.300 -0.179 0.000 0.987 334 M CB 1.652 34.172 32.600 -0.133 0.000 1.687 334 M HN 0.871 nan 8.290 nan 0.000 0.445 335 N N 1.229 119.832 118.700 -0.162 0.000 2.258 335 N HA 0.286 5.026 4.740 -0.000 0.000 0.299 335 N C -0.042 175.431 175.510 -0.063 0.000 1.047 335 N CA 0.082 53.076 53.050 -0.092 0.000 0.814 335 N CB 1.794 40.231 38.487 -0.083 0.000 1.413 335 N HN 0.869 nan 8.380 nan 0.000 0.478 336 S N 3.075 118.771 115.700 -0.006 0.000 2.428 336 S HA -0.080 4.390 4.470 -0.000 0.000 0.230 336 S C 1.708 176.340 174.600 0.052 0.000 1.014 336 S CA 0.535 58.758 58.200 0.037 0.000 0.957 336 S CB 0.067 63.300 63.200 0.056 0.000 0.784 336 S HN 0.683 nan 8.310 nan 0.000 0.499 337 R N 0.970 121.483 120.500 0.021 0.000 2.048 337 R HA 0.039 4.379 4.340 -0.000 0.000 0.224 337 R C 2.289 178.612 176.300 0.039 0.000 1.163 337 R CA 1.728 57.834 56.100 0.009 0.000 0.956 337 R CB -0.357 29.894 30.300 -0.081 0.000 0.849 337 R HN 0.471 nan 8.270 nan 0.000 0.435 338 V N -1.814 118.104 119.914 0.007 0.000 3.650 338 V HA 0.384 4.503 4.120 -0.000 0.000 0.271 338 V C 0.850 176.766 176.094 -0.295 0.000 1.281 338 V CA 0.672 62.952 62.300 -0.033 0.000 1.120 338 V CB -0.118 31.721 31.823 0.027 0.000 0.856 338 V HN 0.700 nan 8.190 nan 0.000 0.443 339 G N 1.185 109.737 108.800 -0.415 0.000 2.481 339 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.230 339 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.230 339 G C -2.714 171.703 174.900 -0.806 0.000 1.210 339 G CA -0.220 44.257 45.100 -1.039 0.000 0.936 339 G HN 0.613 nan 8.290 nan 0.000 0.583 340 P HA 0.456 nan 4.420 nan 0.000 0.271 340 P C -0.499 176.463 177.300 -0.563 0.000 1.216 340 P CA 0.294 63.008 63.100 -0.643 0.000 0.776 340 P CB 0.654 31.994 31.700 -0.599 0.000 0.881 341 M N 2.936 122.266 119.600 -0.451 0.000 2.253 341 M HA 0.355 4.834 4.480 -0.000 0.000 0.314 341 M C -0.525 175.540 176.300 -0.392 0.000 1.019 341 M CA -0.727 54.326 55.300 -0.411 0.000 0.932 341 M CB 1.485 33.921 32.600 -0.274 0.000 1.606 341 M HN 0.119 nan 8.290 nan 0.000 0.430 342 I N 2.634 122.910 120.570 -0.490 0.000 2.307 342 I HA 0.374 4.543 4.170 -0.000 0.000 0.289 342 I C -0.316 175.663 176.117 -0.231 0.000 1.021 342 I CA 0.306 61.408 61.300 -0.330 0.000 1.224 342 I CB 1.087 38.792 38.000 -0.491 0.000 1.376 342 I HN 0.577 nan 8.210 nan 0.000 0.470 343 S N 2.325 117.946 115.700 -0.131 0.000 2.634 343 S HA 0.569 5.039 4.470 -0.000 0.000 0.296 343 S C 0.005 174.500 174.600 -0.175 0.000 1.104 343 S CA -0.645 57.386 58.200 -0.281 0.000 0.920 343 S CB 1.683 64.626 63.200 -0.427 0.000 1.111 343 S HN 0.813 nan 8.310 nan 0.000 0.493 344 T N -1.466 112.838 114.554 -0.416 0.000 3.473 344 T HA -0.156 4.194 4.350 -0.000 0.000 0.403 344 T C -0.059 174.750 174.700 0.182 0.000 0.768 344 T CA 0.081 61.949 62.100 -0.385 0.000 2.009 344 T CB -2.523 66.207 68.868 -0.229 0.000 1.715 344 T HN 0.524 nan 8.240 nan 0.000 0.666 345 V N 2.360 122.456 119.914 0.302 0.000 2.455 345 V HA 0.630 4.750 4.120 -0.000 0.000 0.273 345 V C 1.144 177.622 176.094 0.640 0.000 1.045 345 V CA 0.122 62.712 62.300 0.484 0.000 0.976 345 V CB 0.854 32.907 31.823 0.382 0.000 0.993 345 V HN 1.010 nan 8.190 nan 0.000 0.475 346 T N 2.019 116.951 114.554 0.630 0.000 2.906 346 T HA 0.652 5.002 4.350 -0.000 0.000 0.295 346 T C -1.229 173.748 174.700 0.463 0.000 1.061 346 T CA -0.750 61.659 62.100 0.514 0.000 1.000 346 T CB 1.917 71.031 68.868 0.411 0.000 1.103 346 T HN 0.437 nan 8.240 nan 0.000 0.486 347 Y N 1.693 122.118 120.300 0.208 0.000 2.331 347 Y HA 0.479 5.029 4.550 -0.000 0.000 0.334 347 Y C -0.050 175.911 175.900 0.102 0.000 0.960 347 Y CA -1.175 56.922 58.100 -0.005 0.000 1.130 347 Y CB 1.538 39.932 38.460 -0.111 0.000 1.164 347 Y HN 0.922 nan 8.280 nan 0.000 0.458 348 N N 4.636 123.243 118.700 -0.155 0.000 2.466 348 N HA -0.005 4.735 4.740 -0.000 0.000 0.263 348 N C -1.190 174.386 175.510 0.110 0.000 1.178 348 N CA -0.189 52.851 53.050 -0.017 0.000 0.983 348 N CB 0.089 38.532 38.487 -0.073 0.000 1.331 348 N HN 0.533 nan 8.380 nan 0.000 0.500 349 D N 3.389 123.969 120.400 0.300 0.000 2.422 349 D HA 0.010 4.650 4.640 -0.000 0.000 0.227 349 D C -0.032 176.367 176.300 0.165 0.000 1.190 349 D CA 0.125 54.336 54.000 0.352 0.000 0.905 349 D CB -0.411 40.599 40.800 0.350 0.000 1.034 349 D HN 0.661 nan 8.370 nan 0.000 0.507 350 N N 3.416 122.188 118.700 0.121 0.000 2.727 350 N HA -0.268 4.472 4.740 -0.000 0.000 0.249 350 N C 0.730 176.264 175.510 0.041 0.000 1.048 350 N CA 0.948 54.034 53.050 0.061 0.000 0.714 350 N CB -0.940 37.580 38.487 0.055 0.000 0.959 350 N HN 0.788 nan 8.380 nan 0.000 0.544 351 G N -1.717 107.106 108.800 0.038 0.000 2.175 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 351 G C 0.016 174.936 174.900 0.034 0.000 0.982 351 G CA 0.556 45.672 45.100 0.027 0.000 0.641 351 G HN 0.519 nan 8.290 nan 0.000 0.527 352 T N 1.299 115.884 114.554 0.051 0.000 2.815 352 T HA 0.498 4.848 4.350 -0.000 0.000 0.289 352 T C -0.050 174.700 174.700 0.084 0.000 1.000 352 T CA -0.526 61.603 62.100 0.048 0.000 0.958 352 T CB 1.421 70.304 68.868 0.026 0.000 0.944 352 T HN 0.292 nan 8.240 nan 0.000 0.442 353 K N 3.449 123.897 120.400 0.080 0.000 2.312 353 K HA 0.363 4.683 4.320 -0.000 0.000 0.287 353 K C 0.099 176.766 176.600 0.112 0.000 1.062 353 K CA -0.302 56.059 56.287 0.124 0.000 0.934 353 K CB 0.960 33.543 32.500 0.138 0.000 1.027 353 K HN 0.345 nan 8.250 nan 0.000 0.478 354 R N 2.805 123.417 120.500 0.186 0.000 2.338 354 R HA 0.191 4.531 4.340 -0.000 0.000 0.317 354 R C -0.501 175.940 176.300 0.236 0.000 0.968 354 R CA -0.816 55.386 56.100 0.171 0.000 0.849 354 R CB 1.438 31.844 30.300 0.177 0.000 1.128 354 R HN 0.367 nan 8.270 nan 0.000 0.448 355 K N 1.473 121.897 120.400 0.040 0.000 2.448 355 K HA 0.016 4.336 4.320 -0.000 0.000 0.278 355 K C 0.334 177.043 176.600 0.182 0.000 1.009 355 K CA -0.119 56.140 56.287 -0.046 0.000 0.995 355 K CB 0.852 33.034 32.500 -0.531 0.000 0.917 355 K HN 0.318 nan 8.250 nan 0.000 0.481 356 V N 2.343 122.422 119.914 0.274 0.000 2.948 356 V HA 0.141 4.261 4.120 -0.000 0.000 0.234 356 V C 0.128 176.291 176.094 0.114 0.000 1.205 356 V CA 0.192 62.541 62.300 0.081 0.000 1.234 356 V CB 0.309 32.181 31.823 0.081 0.000 1.020 356 V HN 0.766 nan 8.190 nan 0.000 0.491 357 M N -1.086 118.698 119.600 0.306 0.000 2.183 357 M HA 0.343 4.823 4.480 -0.000 0.000 0.277 357 M C -0.063 176.422 176.300 0.307 0.000 0.995 357 M CA -0.585 54.860 55.300 0.242 0.000 0.969 357 M CB 2.089 34.737 32.600 0.081 0.000 1.659 357 M HN 0.294 nan 8.290 nan 0.000 0.462 358 Y N 3.972 124.389 120.300 0.194 0.000 2.163 358 Y HA 0.118 4.667 4.550 -0.000 0.000 0.288 358 Y C -0.318 175.439 175.900 -0.238 0.000 1.136 358 Y CA 1.750 59.742 58.100 -0.180 0.000 1.147 358 Y CB 0.547 38.913 38.460 -0.156 0.000 0.987 358 Y HN 0.622 nan 8.280 nan 0.000 0.509 359 E N -1.429 118.641 120.200 -0.217 0.000 2.354 359 E HA 0.505 4.855 4.350 -0.000 0.000 0.283 359 E C -1.271 175.225 176.600 -0.173 0.000 0.938 359 E CA -0.278 55.940 56.400 -0.303 0.000 0.777 359 E CB 1.804 31.308 29.700 -0.327 0.000 1.222 359 E HN 0.237 nan 8.360 nan 0.000 0.423 360 G N 0.914 109.585 108.800 -0.215 0.000 2.719 360 G HA2 0.626 4.586 3.960 -0.000 0.000 0.298 360 G HA3 0.626 4.586 3.960 -0.000 0.000 0.298 360 G C -0.729 173.996 174.900 -0.291 0.000 1.433 360 G CA -0.322 44.700 45.100 -0.129 0.000 1.034 360 G HN 0.467 nan 8.290 nan 0.000 0.517 361 S N 0.976 116.662 115.700 -0.024 0.000 2.790 361 S HA 0.730 5.200 4.470 -0.000 0.000 0.292 361 S C -0.965 173.880 174.600 0.410 0.000 1.197 361 S CA -0.822 57.364 58.200 -0.024 0.000 0.851 361 S CB 1.070 64.174 63.200 -0.159 0.000 1.217 361 S HN 1.398 nan 8.310 nan 0.000 0.526 362 L N 1.379 122.777 121.223 0.292 0.000 2.397 362 L HA 0.701 5.040 4.340 -0.000 0.000 0.271 362 L C 1.137 178.065 176.870 0.097 0.000 1.148 362 L CA 0.764 55.741 54.840 0.229 0.000 0.825 362 L CB 0.544 42.593 42.059 -0.018 0.000 1.117 362 L HN 0.951 nan 8.230 nan 0.000 0.456 363 G N 2.556 111.379 108.800 0.039 0.000 2.508 363 G HA2 0.488 4.447 3.960 -0.000 0.000 0.212 363 G HA3 0.488 4.447 3.960 -0.000 0.000 0.212 363 G C 0.347 175.289 174.900 0.069 0.000 1.206 363 G CA 0.445 45.594 45.100 0.082 0.000 0.822 363 G HN 1.115 nan 8.290 nan 0.000 0.550 364 G N -1.273 107.462 108.800 -0.110 0.000 2.451 364 G HA2 0.584 4.544 3.960 -0.000 0.000 0.292 364 G HA3 0.584 4.544 3.960 -0.000 0.000 0.292 364 G C -1.217 173.585 174.900 -0.164 0.000 1.427 364 G CA -0.248 44.771 45.100 -0.135 0.000 0.792 364 G HN 0.937 nan 8.290 nan 0.000 0.498 365 M N -1.031 118.543 119.600 -0.044 0.000 2.578 365 M HA 0.898 5.378 4.480 -0.000 0.000 0.276 365 M C -2.231 174.146 176.300 0.129 0.000 1.245 365 M CA -0.972 54.350 55.300 0.037 0.000 0.871 365 M CB 2.510 35.086 32.600 -0.039 0.000 1.722 365 M HN 0.889 nan 8.290 nan 0.000 0.473 366 I N 1.902 122.551 120.570 0.131 0.000 2.686 366 I HA 0.737 4.907 4.170 -0.000 0.000 0.295 366 I C -1.822 174.310 176.117 0.026 0.000 1.114 366 I CA -0.623 60.740 61.300 0.106 0.000 1.038 366 I CB 2.727 40.780 38.000 0.087 0.000 1.238 366 I HN 0.638 nan 8.210 nan 0.000 0.420 367 V N 8.682 128.647 119.914 0.084 0.000 2.327 367 V HA 0.497 4.616 4.120 -0.000 0.000 0.272 367 V C -2.533 173.601 176.094 0.067 0.000 1.019 367 V CA -1.089 61.233 62.300 0.037 0.000 0.814 367 V CB 0.950 32.839 31.823 0.110 0.000 1.040 367 V HN 0.628 nan 8.190 nan 0.000 0.440 368 P HA 0.514 nan 4.420 nan 0.000 0.300 368 P C -1.269 176.113 177.300 0.137 0.000 1.326 368 P CA -0.611 62.565 63.100 0.126 0.000 0.844 368 P CB 1.100 32.857 31.700 0.094 0.000 0.992 369 Y N 0.656 121.084 120.300 0.213 0.000 2.354 369 Y HA 0.529 5.079 4.550 -0.000 0.000 0.322 369 Y C 1.941 177.948 175.900 0.179 0.000 1.253 369 Y CA 0.305 58.525 58.100 0.200 0.000 1.272 369 Y CB 0.986 39.565 38.460 0.199 0.000 1.255 369 Y HN 0.501 nan 8.280 nan 0.000 0.500 370 G N 0.138 109.047 108.800 0.180 0.000 3.575 370 G HA2 0.005 3.965 3.960 -0.000 0.000 0.273 370 G HA3 0.005 3.965 3.960 -0.000 0.000 0.273 370 G C -0.584 174.285 174.900 -0.051 0.000 1.053 370 G CA -0.091 45.017 45.100 0.012 0.000 0.803 370 G HN 0.502 nan 8.290 nan 0.000 0.528 371 D N 0.882 121.245 120.400 -0.062 0.000 2.193 371 D HA 0.273 4.913 4.640 -0.000 0.000 0.244 371 D C -1.659 174.527 176.300 -0.190 0.000 1.064 371 D CA -1.893 51.872 54.000 -0.391 0.000 0.845 371 D CB 3.058 43.598 40.800 -0.434 0.000 1.148 371 D HN 0.013 nan 8.370 nan 0.000 0.464 372 P HA 0.113 nan 4.420 nan 0.000 0.261 372 P C -0.267 177.051 177.300 0.029 0.000 1.268 372 P CA -0.174 62.873 63.100 -0.088 0.000 0.833 372 P CB 0.697 32.290 31.700 -0.180 0.000 1.231 373 D N 0.582 120.996 120.400 0.022 0.000 2.378 373 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 373 D C 1.967 178.468 176.300 0.334 0.000 1.180 373 D CA -0.118 53.966 54.000 0.140 0.000 0.895 373 D CB 0.627 41.499 40.800 0.121 0.000 1.192 373 D HN 0.045 nan 8.370 nan 0.000 0.438 374 I N -1.268 119.483 120.570 0.301 0.000 2.145 374 I HA -0.209 3.960 4.170 -0.000 0.000 0.244 374 I C 1.627 177.917 176.117 0.287 0.000 1.075 374 I CA 1.911 63.419 61.300 0.346 0.000 1.332 374 I CB -0.622 37.494 38.000 0.194 0.000 1.033 374 I HN 0.322 nan 8.210 nan 0.000 0.410 375 G N -1.155 107.742 108.800 0.160 0.000 2.985 375 G HA2 0.061 4.020 3.960 -0.000 0.000 0.209 375 G HA3 0.061 4.020 3.960 -0.000 0.000 0.209 375 G C 0.733 175.222 174.900 -0.685 0.000 1.165 375 G CA -0.095 44.932 45.100 -0.121 0.000 0.776 375 G HN 0.640 nan 8.290 nan 0.000 0.541 376 W N -1.441 119.698 121.300 -0.268 0.000 3.471 376 W HA 0.174 4.834 4.660 -0.000 0.000 0.230 376 W C 2.119 178.341 176.519 -0.494 0.000 1.105 376 W CA -0.054 57.016 57.345 -0.458 0.000 1.631 376 W CB -0.378 28.947 29.460 -0.225 0.000 0.848 376 W HN 0.178 nan 8.180 nan 0.000 0.766 377 Y N 1.376 121.668 120.300 -0.013 0.000 2.219 377 Y HA -0.382 4.168 4.550 -0.000 0.000 0.283 377 Y C 1.694 177.638 175.900 0.072 0.000 1.191 377 Y CA 1.760 59.877 58.100 0.028 0.000 1.199 377 Y CB -1.870 36.591 38.460 0.002 0.000 0.972 377 Y HN 0.120 nan 8.280 nan 0.000 0.527 378 F N -0.010 119.602 119.950 -0.563 0.000 2.754 378 F HA 0.386 4.912 4.527 -0.000 0.000 0.297 378 F C 0.615 176.344 175.800 -0.118 0.000 1.122 378 F CA -1.124 56.705 58.000 -0.285 0.000 1.400 378 F CB -0.587 38.056 39.000 -0.595 0.000 1.117 378 F HN -0.240 nan 8.300 nan 0.000 0.587 379 K N 2.311 122.259 120.400 -0.753 0.000 2.351 379 K HA 0.444 4.764 4.320 -0.000 0.000 0.287 379 K C -0.301 176.080 176.600 -0.365 0.000 1.068 379 K CA 0.423 56.280 56.287 -0.716 0.000 0.998 379 K CB 0.225 32.268 32.500 -0.762 0.000 0.968 379 K HN 0.357 nan 8.250 nan 0.000 0.464 380 A N 4.482 127.019 122.820 -0.471 0.000 3.158 380 A HA 0.212 4.532 4.320 -0.000 0.000 0.302 380 A C -1.461 176.023 177.584 -0.166 0.000 1.162 380 A CA -0.754 51.150 52.037 -0.222 0.000 0.824 380 A CB 0.166 19.103 19.000 -0.106 0.000 1.322 380 A HN 0.536 nan 8.150 nan 0.000 0.510 381 Y N 1.123 121.524 120.300 0.169 0.000 2.480 381 Y HA 0.317 4.867 4.550 -0.000 0.000 0.341 381 Y C 0.577 176.582 175.900 0.174 0.000 1.031 381 Y CA -0.379 57.834 58.100 0.189 0.000 1.295 381 Y CB 0.526 39.079 38.460 0.154 0.000 1.162 381 Y HN 0.483 nan 8.280 nan 0.000 0.523 382 L N 4.587 126.030 121.223 0.366 0.000 2.556 382 L HA 0.201 4.541 4.340 -0.000 0.000 0.245 382 L C 0.623 177.678 176.870 0.309 0.000 1.174 382 L CA -0.227 54.762 54.840 0.247 0.000 1.117 382 L CB 0.195 42.352 42.059 0.164 0.000 1.409 382 L HN 0.618 nan 8.230 nan 0.000 0.411 383 D N 0.087 120.665 120.400 0.297 0.000 2.190 383 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 383 D C 2.113 178.567 176.300 0.258 0.000 0.992 383 D CA 1.843 56.027 54.000 0.307 0.000 0.854 383 D CB 0.311 41.251 40.800 0.234 0.000 0.936 383 D HN 0.548 nan 8.370 nan 0.000 0.462 384 S N -0.630 115.157 115.700 0.144 0.000 2.387 384 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 384 S C 2.220 176.845 174.600 0.041 0.000 1.041 384 S CA 1.025 59.289 58.200 0.107 0.000 0.959 384 S CB -0.437 62.805 63.200 0.069 0.000 0.843 384 S HN 0.187 nan 8.310 nan 0.000 0.488 385 G N 1.288 110.083 108.800 -0.007 0.000 2.402 385 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.216 385 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.216 385 G C 1.085 175.944 174.900 -0.068 0.000 1.162 385 G CA 1.030 46.061 45.100 -0.116 0.000 0.777 385 G HN 0.534 nan 8.290 nan 0.000 0.539 386 D N -1.315 119.096 120.400 0.018 0.000 2.346 386 D HA 0.114 4.754 4.640 -0.000 0.000 0.206 386 D C 1.011 177.173 176.300 -0.229 0.000 1.001 386 D CA 0.409 54.357 54.000 -0.088 0.000 0.871 386 D CB 0.238 40.996 40.800 -0.070 0.000 0.943 386 D HN 0.457 nan 8.370 nan 0.000 0.518 387 Y N -0.349 120.021 120.300 0.117 0.000 2.471 387 Y HA 0.344 4.893 4.550 -0.000 0.000 0.249 387 Y C 0.976 176.955 175.900 0.132 0.000 1.116 387 Y CA -0.076 58.122 58.100 0.162 0.000 1.240 387 Y CB 1.074 39.665 38.460 0.218 0.000 1.251 387 Y HN -0.116 nan 8.280 nan 0.000 0.527 388 G N 1.472 110.394 108.800 0.205 0.000 2.694 388 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.247 388 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.247 388 G C 0.471 175.501 174.900 0.217 0.000 0.989 388 G CA 0.260 45.455 45.100 0.159 0.000 1.252 388 G HN 0.324 nan 8.290 nan 0.000 0.483 389 M N 1.262 121.012 119.600 0.250 0.000 2.200 389 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 389 M C 2.709 179.314 176.300 0.508 0.000 1.066 389 M CA 2.237 57.756 55.300 0.365 0.000 1.127 389 M CB -0.086 32.756 32.600 0.404 0.000 1.379 389 M HN 0.661 nan 8.290 nan 0.000 0.420 390 G N -0.619 108.409 108.800 0.380 0.000 2.418 390 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 390 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 390 G C 1.420 176.475 174.900 0.257 0.000 1.158 390 G CA 1.432 46.707 45.100 0.291 0.000 0.771 390 G HN 0.354 nan 8.290 nan 0.000 0.545 391 T N 1.257 115.926 114.554 0.193 0.000 2.746 391 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 391 T C 2.045 176.840 174.700 0.159 0.000 1.039 391 T CA 0.618 62.811 62.100 0.155 0.000 1.142 391 T CB -0.175 68.773 68.868 0.133 0.000 0.866 391 T HN 0.110 nan 8.240 nan 0.000 0.444 392 L N 1.689 123.020 121.223 0.180 0.000 2.660 392 L HA 0.100 4.440 4.340 -0.000 0.000 0.238 392 L C 0.532 177.498 176.870 0.159 0.000 1.161 392 L CA -0.186 54.741 54.840 0.145 0.000 0.937 392 L CB -0.746 41.396 42.059 0.139 0.000 1.122 392 L HN 0.153 nan 8.230 nan 0.000 0.435 393 T N 0.061 114.758 114.554 0.238 0.000 2.933 393 T HA -0.038 4.312 4.350 -0.000 0.000 0.306 393 T C 0.654 175.426 174.700 0.120 0.000 1.045 393 T CA 0.322 62.574 62.100 0.254 0.000 1.143 393 T CB 0.530 69.665 68.868 0.446 0.000 1.003 393 T HN 0.129 nan 8.240 nan 0.000 0.540 394 S N 5.580 121.304 115.700 0.039 0.000 2.410 394 S HA 0.321 4.791 4.470 -0.000 0.000 0.304 394 S C -2.221 172.405 174.600 0.043 0.000 1.095 394 S CA -1.207 57.005 58.200 0.020 0.000 1.089 394 S CB 0.775 63.957 63.200 -0.029 0.000 0.968 394 S HN 0.456 nan 8.310 nan 0.000 0.480 395 P HA 0.026 nan 4.420 nan 0.000 0.261 395 P C -0.143 177.184 177.300 0.045 0.000 1.183 395 P CA -0.119 63.018 63.100 0.061 0.000 0.761 395 P CB 0.187 31.915 31.700 0.046 0.000 0.785 396 I N 2.404 123.011 120.570 0.061 0.000 2.752 396 I HA -0.042 4.128 4.170 -0.000 0.000 0.289 396 I C 1.019 177.149 176.117 0.023 0.000 1.197 396 I CA 0.107 61.436 61.300 0.047 0.000 1.432 396 I CB -0.287 37.757 38.000 0.073 0.000 1.359 396 I HN 0.369 nan 8.210 nan 0.000 0.571 397 A N 8.003 130.829 122.820 0.009 0.000 2.539 397 A HA 0.179 4.499 4.320 -0.000 0.000 0.306 397 A C 0.835 178.415 177.584 -0.007 0.000 1.392 397 A CA -0.504 51.533 52.037 0.000 0.000 1.060 397 A CB -0.187 18.812 19.000 -0.003 0.000 1.134 397 A HN 0.772 nan 8.150 nan 0.000 0.542 398 R N 2.077 122.573 120.500 -0.007 0.000 2.485 398 R HA 0.158 4.498 4.340 -0.000 0.000 0.304 398 R C 1.416 177.703 176.300 -0.021 0.000 0.934 398 R CA 1.706 57.798 56.100 -0.013 0.000 1.102 398 R CB -0.125 30.168 30.300 -0.012 0.000 0.906 398 R HN 1.546 nan 8.270 nan 0.000 0.407 399 G N 3.494 112.270 108.800 -0.040 0.000 2.253 399 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.251 399 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.251 399 G C 0.763 175.633 174.900 -0.049 0.000 0.998 399 G CA 0.641 45.714 45.100 -0.045 0.000 0.621 399 G HN 0.641 nan 8.290 nan 0.000 0.524 400 K N -0.598 119.779 120.400 -0.039 0.000 2.273 400 K HA 0.163 4.483 4.320 -0.000 0.000 0.206 400 K C 1.453 178.034 176.600 -0.031 0.000 1.072 400 K CA 0.612 56.882 56.287 -0.029 0.000 0.953 400 K CB 0.051 32.542 32.500 -0.015 0.000 1.043 400 K HN 0.118 nan 8.250 nan 0.000 0.477 401 D N 0.587 120.970 120.400 -0.029 0.000 2.277 401 D HA 0.055 4.694 4.640 -0.000 0.000 0.208 401 D C 0.048 176.326 176.300 -0.037 0.000 0.962 401 D CA 0.534 54.526 54.000 -0.013 0.000 0.865 401 D CB 0.485 41.285 40.800 0.000 0.000 0.939 401 D HN 0.182 nan 8.370 nan 0.000 0.510 402 A N 0.236 122.983 122.820 -0.121 0.000 2.587 402 A HA 0.570 4.890 4.320 -0.000 0.000 0.293 402 A C -2.726 174.640 177.584 -0.363 0.000 1.087 402 A CA -1.303 50.529 52.037 -0.342 0.000 0.692 402 A CB 1.584 20.406 19.000 -0.297 0.000 1.291 402 A HN -0.221 nan 8.150 nan 0.000 0.407 403 P HA 0.094 nan 4.420 nan 0.000 0.272 403 P C 0.896 178.090 177.300 -0.177 0.000 1.230 403 P CA 0.427 63.334 63.100 -0.322 0.000 0.788 403 P CB 0.918 32.413 31.700 -0.341 0.000 0.949 404 S N 0.619 116.277 115.700 -0.071 0.000 2.465 404 S HA -0.173 4.296 4.470 -0.000 0.000 0.241 404 S C 1.169 175.796 174.600 0.044 0.000 1.000 404 S CA 1.012 59.210 58.200 -0.002 0.000 0.964 404 S CB -1.142 62.071 63.200 0.022 0.000 0.763 404 S HN 0.659 nan 8.310 nan 0.000 0.512 405 N N 1.746 120.476 118.700 0.051 0.000 2.295 405 N HA 0.344 5.084 4.740 -0.000 0.000 0.221 405 N C 0.093 175.701 175.510 0.164 0.000 1.129 405 N CA 0.196 53.320 53.050 0.123 0.000 0.836 405 N CB 0.018 38.590 38.487 0.142 0.000 1.040 405 N HN 0.482 nan 8.380 nan 0.000 0.494 406 A N 0.167 123.051 122.820 0.107 0.000 2.271 406 A HA 0.575 4.894 4.320 -0.000 0.000 0.288 406 A C -0.274 177.430 177.584 0.201 0.000 1.094 406 A CA -0.539 51.611 52.037 0.188 0.000 0.828 406 A CB 1.108 20.163 19.000 0.091 0.000 1.091 406 A HN 0.071 nan 8.150 nan 0.000 0.493 407 V N 2.004 122.073 119.914 0.257 0.000 2.334 407 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 407 V C -0.457 175.772 176.094 0.225 0.000 1.016 407 V CA -0.128 62.333 62.300 0.268 0.000 0.832 407 V CB 0.810 32.843 31.823 0.351 0.000 0.999 407 V HN 0.640 nan 8.190 nan 0.000 0.439 408 L N 6.551 127.881 121.223 0.178 0.000 2.272 408 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 408 L C -0.372 176.581 176.870 0.139 0.000 1.032 408 L CA -0.371 54.553 54.840 0.139 0.000 0.810 408 L CB 1.098 43.208 42.059 0.086 0.000 1.205 408 L HN 0.371 nan 8.230 nan 0.000 0.422 409 L N 3.481 124.791 121.223 0.144 0.000 2.343 409 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 409 L C -0.060 176.851 176.870 0.068 0.000 1.056 409 L CA -0.644 54.269 54.840 0.122 0.000 0.804 409 L CB 1.191 43.332 42.059 0.137 0.000 1.203 409 L HN 0.622 nan 8.230 nan 0.000 0.440 410 N N 1.926 120.642 118.700 0.026 0.000 2.456 410 N HA 0.435 5.175 4.740 -0.000 0.000 0.296 410 N C -0.854 174.662 175.510 0.011 0.000 1.102 410 N CA -0.616 52.443 53.050 0.014 0.000 0.924 410 N CB 2.269 40.748 38.487 -0.014 0.000 1.186 410 N HN 0.490 nan 8.380 nan 0.000 0.492 411 E N 0.624 120.836 120.200 0.019 0.000 2.314 411 E HA 0.393 4.743 4.350 -0.000 0.000 0.272 411 E C -0.878 175.726 176.600 0.008 0.000 0.884 411 E CA -0.547 55.856 56.400 0.005 0.000 0.753 411 E CB 2.249 31.950 29.700 0.001 0.000 1.213 411 E HN 0.348 nan 8.360 nan 0.000 0.432 412 T N 2.714 117.264 114.554 -0.006 0.000 2.797 412 T HA 0.725 5.075 4.350 -0.000 0.000 0.279 412 T C 0.370 175.067 174.700 -0.007 0.000 0.991 412 T CA -0.530 61.567 62.100 -0.004 0.000 0.979 412 T CB 0.452 69.312 68.868 -0.013 0.000 0.943 412 T HN 0.445 nan 8.240 nan 0.000 0.444 413 I N -0.595 119.977 120.570 0.004 0.000 3.264 413 I HA 0.968 5.138 4.170 -0.000 0.000 0.315 413 I C -0.702 175.417 176.117 0.004 0.000 1.154 413 I CA -1.888 59.415 61.300 0.006 0.000 0.962 413 I CB 1.739 39.753 38.000 0.023 0.000 1.265 413 I HN 0.597 nan 8.210 nan 0.000 0.463 414 A N 1.940 124.762 122.820 0.003 0.000 2.309 414 A HA 0.554 4.874 4.320 -0.000 0.000 0.298 414 A C -0.558 177.045 177.584 0.032 0.000 1.165 414 A CA -0.374 51.656 52.037 -0.012 0.000 0.821 414 A CB 0.294 19.269 19.000 -0.043 0.000 1.102 414 A HN 0.854 nan 8.150 nan 0.000 0.500 415 D N 0.738 121.151 120.400 0.022 0.000 2.433 415 D HA 0.045 4.685 4.640 -0.000 0.000 0.255 415 D C 0.748 177.117 176.300 0.116 0.000 1.226 415 D CA -0.137 53.916 54.000 0.088 0.000 1.015 415 D CB 0.054 40.894 40.800 0.066 0.000 1.091 415 D HN 0.637 nan 8.370 nan 0.000 0.527 416 Y N -1.852 118.520 120.300 0.120 0.000 2.639 416 Y HA 0.027 4.577 4.550 -0.000 0.000 0.297 416 Y C 1.632 177.700 175.900 0.280 0.000 1.151 416 Y CA 1.131 59.339 58.100 0.180 0.000 1.335 416 Y CB -0.835 37.700 38.460 0.126 0.000 0.994 416 Y HN 0.367 nan 8.280 nan 0.000 0.548 417 T N -3.885 110.455 114.554 -0.356 0.000 3.054 417 T HA 0.459 4.809 4.350 -0.000 0.000 0.255 417 T C 1.539 176.236 174.700 -0.005 0.000 1.035 417 T CA 0.230 62.220 62.100 -0.184 0.000 0.941 417 T CB -0.248 68.392 68.868 -0.381 0.000 1.026 417 T HN 0.830 nan 8.240 nan 0.000 0.533 418 G N 0.721 109.439 108.800 -0.136 0.000 2.157 418 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.248 418 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.248 418 G C -0.039 174.679 174.900 -0.302 0.000 0.979 418 G CA -0.053 44.729 45.100 -0.530 0.000 0.650 418 G HN 0.709 nan 8.290 nan 0.000 0.529 419 V N 1.943 121.753 119.914 -0.175 0.000 2.439 419 V HA 0.463 4.583 4.120 -0.000 0.000 0.282 419 V C -1.532 174.513 176.094 -0.082 0.000 1.039 419 V CA -1.681 60.547 62.300 -0.119 0.000 0.913 419 V CB 1.610 33.377 31.823 -0.092 0.000 0.983 419 V HN 0.098 nan 8.190 nan 0.000 0.460 420 P HA 0.098 nan 4.420 nan 0.000 0.265 420 P C -0.556 176.729 177.300 -0.024 0.000 1.187 420 P CA 0.217 63.290 63.100 -0.046 0.000 0.766 420 P CB 0.328 32.001 31.700 -0.046 0.000 0.820 421 M N 2.189 121.784 119.600 -0.008 0.000 2.183 421 M HA 0.242 4.722 4.480 -0.000 0.000 0.277 421 M C -0.964 175.344 176.300 0.013 0.000 0.995 421 M CA -0.492 54.814 55.300 0.009 0.000 0.969 421 M CB 1.588 34.204 32.600 0.026 0.000 1.659 421 M HN 0.260 nan 8.290 nan 0.000 0.462 422 E N 5.554 125.760 120.200 0.011 0.000 2.146 422 E HA 0.431 4.780 4.350 -0.000 0.000 0.282 422 E C -1.452 175.162 176.600 0.024 0.000 0.989 422 E CA -0.562 55.845 56.400 0.011 0.000 0.799 422 E CB 1.080 30.780 29.700 -0.001 0.000 1.088 422 E HN 0.737 nan 8.360 nan 0.000 0.397 423 I N 7.752 128.344 120.570 0.036 0.000 2.312 423 I HA 0.252 4.421 4.170 -0.000 0.000 0.291 423 I C -1.983 174.162 176.117 0.047 0.000 1.031 423 I CA -2.181 59.152 61.300 0.055 0.000 1.293 423 I CB 1.202 39.256 38.000 0.091 0.000 1.403 423 I HN 0.387 nan 8.210 nan 0.000 0.484 424 P HA 0.137 nan 4.420 nan 0.000 0.280 424 P C -0.551 176.775 177.300 0.043 0.000 1.244 424 P CA -0.335 62.780 63.100 0.024 0.000 0.784 424 P CB 0.706 32.411 31.700 0.009 0.000 0.913 425 R N 1.218 121.744 120.500 0.042 0.000 3.416 425 R HA -0.230 4.109 4.340 -0.000 0.000 0.263 425 R C 1.155 177.521 176.300 0.109 0.000 1.053 425 R CA 0.457 56.597 56.100 0.066 0.000 0.705 425 R CB -2.515 27.812 30.300 0.044 0.000 1.124 425 R HN 0.609 nan 8.270 nan 0.000 0.444 426 A N 0.492 123.388 122.820 0.126 0.000 1.877 426 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 426 A C 1.105 178.861 177.584 0.287 0.000 1.186 426 A CA 1.050 53.205 52.037 0.196 0.000 0.620 426 A CB 0.210 19.306 19.000 0.159 0.000 0.822 426 A HN 0.371 nan 8.150 nan 0.000 0.443 427 I N -1.090 119.611 120.570 0.218 0.000 2.545 427 I HA 0.539 4.708 4.170 -0.000 0.000 0.292 427 I C -0.169 176.072 176.117 0.206 0.000 1.040 427 I CA -0.695 60.748 61.300 0.240 0.000 1.068 427 I CB 2.149 40.240 38.000 0.153 0.000 1.251 427 I HN 0.177 nan 8.210 nan 0.000 0.424 428 A N 6.072 129.041 122.820 0.249 0.000 2.292 428 A HA 0.781 5.100 4.320 -0.000 0.000 0.319 428 A C -0.737 177.013 177.584 0.276 0.000 1.206 428 A CA -0.473 51.725 52.037 0.269 0.000 0.835 428 A CB 1.028 20.212 19.000 0.306 0.000 1.164 428 A HN 0.440 nan 8.150 nan 0.000 0.505 429 V N 3.432 123.472 119.914 0.211 0.000 2.409 429 V HA 0.704 4.824 4.120 -0.000 0.000 0.291 429 V C -0.936 175.229 176.094 0.117 0.000 1.020 429 V CA -0.262 62.033 62.300 -0.009 0.000 0.848 429 V CB 0.397 32.093 31.823 -0.212 0.000 0.990 429 V HN 0.851 nan 8.190 nan 0.000 0.430 430 F N 1.315 121.146 119.950 -0.199 0.000 2.628 430 F HA 0.719 5.246 4.527 -0.000 0.000 0.309 430 F C -0.754 174.952 175.800 -0.157 0.000 1.108 430 F CA -1.186 56.766 58.000 -0.080 0.000 0.971 430 F CB 1.470 40.473 39.000 0.005 0.000 1.279 430 F HN 0.491 nan 8.300 nan 0.000 0.441 431 E N 3.031 123.308 120.200 0.127 0.000 2.277 431 E HA 0.684 5.034 4.350 -0.000 0.000 0.274 431 E C -0.937 175.761 176.600 0.162 0.000 1.022 431 E CA -0.838 55.573 56.400 0.018 0.000 0.853 431 E CB 1.355 31.188 29.700 0.222 0.000 1.086 431 E HN 0.872 nan 8.360 nan 0.000 0.397 432 R N 2.700 123.256 120.500 0.092 0.000 2.740 432 R HA 0.245 4.585 4.340 -0.000 0.000 0.273 432 R C -1.517 174.866 176.300 0.138 0.000 0.998 432 R CA -0.996 55.202 56.100 0.163 0.000 0.900 432 R CB 0.535 30.947 30.300 0.186 0.000 1.223 432 R HN 0.555 nan 8.270 nan 0.000 0.466 433 Y N 1.662 121.998 120.300 0.061 0.000 2.402 433 Y HA 0.427 4.977 4.550 -0.000 0.000 0.333 433 Y C -0.416 175.488 175.900 0.006 0.000 1.076 433 Y CA 0.099 58.221 58.100 0.036 0.000 1.299 433 Y CB 1.153 39.630 38.460 0.029 0.000 1.197 433 Y HN 0.822 nan 8.280 nan 0.000 0.517 434 A N 5.809 128.258 122.820 -0.618 0.000 2.985 434 A HA 0.615 4.935 4.320 -0.000 0.000 0.303 434 A C 0.787 177.988 177.584 -0.640 0.000 1.048 434 A CA 0.087 51.835 52.037 -0.481 0.000 1.016 434 A CB -0.939 17.890 19.000 -0.285 0.000 1.118 434 A HN 1.705 nan 8.150 nan 0.000 0.529 435 G N 0.821 108.881 108.800 -1.234 0.000 2.698 435 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.233 435 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.233 435 G C -2.988 171.626 174.900 -0.478 0.000 1.352 435 G CA -0.379 44.336 45.100 -0.642 0.000 0.879 435 G HN 0.482 nan 8.290 nan 0.000 0.567 436 P HA 0.307 nan 4.420 nan 0.000 0.281 436 P C 0.470 177.699 177.300 -0.119 0.000 1.252 436 P CA -0.085 62.963 63.100 -0.087 0.000 0.778 436 P CB 1.730 33.428 31.700 -0.003 0.000 0.895 437 E N 3.943 124.035 120.200 -0.180 0.000 2.047 437 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 437 E C 0.030 176.578 176.600 -0.085 0.000 0.987 437 E CA 1.823 58.113 56.400 -0.184 0.000 0.799 437 E CB -0.370 29.140 29.700 -0.317 0.000 0.752 437 E HN 0.580 nan 8.360 nan 0.000 0.449 438 Y N -2.798 117.502 120.300 0.001 0.000 2.624 438 Y HA 0.673 5.223 4.550 -0.000 0.000 0.334 438 Y C -1.116 174.798 175.900 0.023 0.000 1.155 438 Y CA -1.771 56.332 58.100 0.005 0.000 1.046 438 Y CB 0.686 39.142 38.460 -0.005 0.000 1.316 438 Y HN -0.139 nan 8.280 nan 0.000 0.457 439 K N 1.316 121.927 120.400 0.352 0.000 2.572 439 K HA 0.511 4.831 4.320 -0.000 0.000 0.263 439 K C -2.648 174.099 176.600 0.244 0.000 0.932 439 K CA -0.788 55.650 56.287 0.252 0.000 0.838 439 K CB 1.900 34.483 32.500 0.138 0.000 1.366 439 K HN 1.018 nan 8.250 nan 0.000 0.425 440 H N 2.162 121.282 119.070 0.085 0.000 3.181 440 H HA 0.227 4.782 4.556 -0.000 0.000 0.331 440 H C -1.741 173.605 175.328 0.031 0.000 0.988 440 H CA -0.325 55.744 56.048 0.035 0.000 1.449 440 H CB 1.654 31.416 29.762 -0.000 0.000 1.749 440 H HN 0.518 nan 8.280 nan 0.000 0.501 441 Q N 3.599 123.160 119.800 -0.398 0.000 2.636 441 Q HA 0.229 4.569 4.340 -0.000 0.000 0.233 441 Q C -0.712 174.937 176.000 -0.585 0.000 1.143 441 Q CA -0.703 54.892 55.803 -0.346 0.000 0.969 441 Q CB 0.363 29.015 28.738 -0.144 0.000 1.185 441 Q HN 0.555 nan 8.270 nan 0.000 0.546 442 E N 2.818 122.597 120.200 -0.702 0.000 2.415 442 E HA 0.007 4.357 4.350 -0.000 0.000 0.263 442 E C -0.569 175.922 176.600 -0.181 0.000 0.995 442 E CA 0.094 56.233 56.400 -0.435 0.000 0.915 442 E CB 0.416 30.024 29.700 -0.153 0.000 0.951 442 E HN 0.740 nan 8.360 nan 0.000 0.449 443 M N 4.339 123.881 119.600 -0.097 0.000 2.290 443 M HA 0.073 4.553 4.480 -0.000 0.000 0.356 443 M C 1.020 177.296 176.300 -0.039 0.000 1.448 443 M CA 1.790 57.059 55.300 -0.053 0.000 0.993 443 M CB -0.113 32.474 32.600 -0.021 0.000 1.934 443 M HN 0.822 nan 8.290 nan 0.000 0.461 444 G N 2.645 111.423 108.800 -0.037 0.000 2.155 444 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.257 444 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.257 444 G C -0.248 174.636 174.900 -0.027 0.000 0.983 444 G CA 0.104 45.188 45.100 -0.026 0.000 0.676 444 G HN 0.651 nan 8.290 nan 0.000 0.528 445 Q N -0.531 119.244 119.800 -0.041 0.000 2.416 445 Q HA 0.526 4.866 4.340 -0.000 0.000 0.279 445 Q C -2.737 173.238 176.000 -0.042 0.000 1.101 445 Q CA -2.010 53.771 55.803 -0.037 0.000 0.830 445 Q CB 1.688 30.403 28.738 -0.038 0.000 1.402 445 Q HN 0.148 nan 8.270 nan 0.000 0.445 446 P HA -0.011 nan 4.420 nan 0.000 0.268 446 P C -0.047 177.237 177.300 -0.026 0.000 1.204 446 P CA -0.042 63.046 63.100 -0.020 0.000 0.768 446 P CB 0.443 32.138 31.700 -0.008 0.000 0.842 447 N N 1.961 120.646 118.700 -0.024 0.000 2.416 447 N HA 0.045 4.784 4.740 -0.000 0.000 0.246 447 N C -1.108 174.412 175.510 0.016 0.000 1.260 447 N CA 0.126 53.164 53.050 -0.020 0.000 0.897 447 N CB 0.435 38.917 38.487 -0.009 0.000 1.110 447 N HN 0.042 nan 8.380 nan 0.000 0.439 448 V N 1.905 121.846 119.914 0.044 0.000 2.409 448 V HA 0.332 4.452 4.120 -0.000 0.000 0.290 448 V C -0.595 175.590 176.094 0.151 0.000 1.017 448 V CA -0.553 61.811 62.300 0.107 0.000 0.841 448 V CB 1.189 33.094 31.823 0.137 0.000 1.003 448 V HN 0.635 nan 8.190 nan 0.000 0.426 449 S N 2.666 118.436 115.700 0.118 0.000 2.546 449 S HA 0.876 5.346 4.470 -0.000 0.000 0.274 449 S C -0.310 174.279 174.600 -0.017 0.000 1.121 449 S CA -0.641 57.604 58.200 0.075 0.000 0.887 449 S CB 2.397 65.625 63.200 0.047 0.000 1.094 449 S HN 0.948 nan 8.310 nan 0.000 0.474 450 T N -0.610 113.842 114.554 -0.171 0.000 2.909 450 T HA 0.644 4.994 4.350 -0.000 0.000 0.299 450 T C -1.034 173.557 174.700 -0.183 0.000 1.073 450 T CA -1.022 60.927 62.100 -0.250 0.000 0.999 450 T CB 1.533 70.101 68.868 -0.501 0.000 1.098 450 T HN 0.652 nan 8.240 nan 0.000 0.477 451 E N 1.898 122.055 120.200 -0.073 0.000 2.283 451 E HA 0.436 4.786 4.350 -0.000 0.000 0.271 451 E C -0.344 176.200 176.600 -0.094 0.000 1.031 451 E CA -1.141 55.260 56.400 0.000 0.000 0.868 451 E CB 1.629 31.474 29.700 0.243 0.000 1.094 451 E HN 0.735 nan 8.360 nan 0.000 0.401 452 R N 1.539 121.929 120.500 -0.184 0.000 2.368 452 R HA 0.288 4.628 4.340 -0.000 0.000 0.302 452 R C -0.780 175.458 176.300 -0.103 0.000 1.002 452 R CA -0.701 55.313 56.100 -0.143 0.000 0.929 452 R CB 0.882 31.088 30.300 -0.155 0.000 1.073 452 R HN 0.449 nan 8.270 nan 0.000 0.464 453 R N 2.866 123.392 120.500 0.042 0.000 2.599 453 R HA 0.352 4.692 4.340 -0.000 0.000 0.295 453 R C -1.056 175.411 176.300 0.278 0.000 0.963 453 R CA -0.688 55.525 56.100 0.190 0.000 0.883 453 R CB 2.000 32.507 30.300 0.345 0.000 1.171 453 R HN 0.754 nan 8.270 nan 0.000 0.450 454 E N 1.705 121.979 120.200 0.122 0.000 2.272 454 E HA 0.330 4.679 4.350 -0.000 0.000 0.269 454 E C -0.996 175.369 176.600 -0.392 0.000 0.877 454 E CA -1.069 55.272 56.400 -0.098 0.000 0.755 454 E CB 2.730 32.231 29.700 -0.332 0.000 1.192 454 E HN 0.087 nan 8.360 nan 0.000 0.422 455 L N 3.606 124.364 121.223 -0.775 0.000 2.265 455 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 455 L C -1.303 175.194 176.870 -0.621 0.000 1.033 455 L CA -0.530 53.692 54.840 -1.029 0.000 0.814 455 L CB 1.189 42.252 42.059 -1.660 0.000 1.203 455 L HN 0.291 nan 8.230 nan 0.000 0.423 456 V N 5.696 125.149 119.914 -0.769 0.000 2.483 456 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 456 V C -0.284 175.491 176.094 -0.532 0.000 1.035 456 V CA -0.756 61.102 62.300 -0.737 0.000 0.896 456 V CB 1.780 32.860 31.823 -1.240 0.000 0.986 456 V HN 0.433 nan 8.190 nan 0.000 0.447 457 V N 5.657 125.475 119.914 -0.161 0.000 2.293 457 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 457 V C 0.149 176.377 176.094 0.222 0.000 1.021 457 V CA -0.505 61.825 62.300 0.050 0.000 0.815 457 V CB 1.144 33.044 31.823 0.127 0.000 1.025 457 V HN 0.870 nan 8.190 nan 0.000 0.448 458 R N 3.938 124.608 120.500 0.284 0.000 2.393 458 R HA 0.496 4.836 4.340 -0.000 0.000 0.310 458 R C -1.732 174.857 176.300 0.482 0.000 0.968 458 R CA -0.593 55.760 56.100 0.421 0.000 0.867 458 R CB 1.449 32.047 30.300 0.496 0.000 1.124 458 R HN 0.627 nan 8.270 nan 0.000 0.450 459 W N 7.166 128.659 121.300 0.323 0.000 2.781 459 W HA 0.497 5.157 4.660 -0.000 0.000 0.333 459 W C -1.711 175.018 176.519 0.349 0.000 1.047 459 W CA -0.794 56.732 57.345 0.302 0.000 1.236 459 W CB 1.048 30.685 29.460 0.294 0.000 1.394 459 W HN 0.419 nan 8.180 nan 0.000 0.466 460 I N 5.546 125.904 120.570 -0.354 0.000 2.433 460 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 460 I C -0.126 175.601 176.117 -0.649 0.000 1.001 460 I CA -0.973 60.081 61.300 -0.409 0.000 1.119 460 I CB 1.883 39.791 38.000 -0.154 0.000 1.289 460 I HN 0.345 nan 8.210 nan 0.000 0.438 461 S N 3.555 118.940 115.700 -0.525 0.000 2.557 461 S HA 0.624 5.093 4.470 -0.000 0.000 0.291 461 S C -0.736 173.850 174.600 -0.022 0.000 1.116 461 S CA -0.311 57.732 58.200 -0.263 0.000 0.992 461 S CB 1.666 64.668 63.200 -0.330 0.000 1.028 461 S HN 0.600 nan 8.310 nan 0.000 0.484 462 T N 3.708 118.264 114.554 0.004 0.000 2.792 462 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 462 T C -1.126 173.594 174.700 0.035 0.000 0.990 462 T CA -0.494 61.582 62.100 -0.041 0.000 0.960 462 T CB 1.300 70.120 68.868 -0.081 0.000 0.939 462 T HN 0.471 nan 8.240 nan 0.000 0.439 463 V N 3.058 122.986 119.914 0.024 0.000 2.447 463 V HA 0.723 4.843 4.120 -0.000 0.000 0.292 463 V C 0.897 176.946 176.094 -0.076 0.000 1.021 463 V CA -0.018 62.312 62.300 0.050 0.000 0.850 463 V CB 0.630 32.549 31.823 0.160 0.000 1.005 463 V HN 1.252 nan 8.190 nan 0.000 0.426 464 G N 5.714 114.516 108.800 0.004 0.000 2.561 464 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.289 464 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.289 464 G C 0.187 175.026 174.900 -0.102 0.000 1.169 464 G CA 0.447 45.589 45.100 0.070 0.000 0.980 464 G HN 1.002 nan 8.290 nan 0.000 0.550 468 Y N 1.462 121.652 120.300 -0.185 0.000 2.331 468 Y HA 0.636 5.186 4.550 -0.000 0.000 0.338 468 Y C 0.210 175.889 175.900 -0.369 0.000 0.992 468 Y CA -0.833 57.127 58.100 -0.233 0.000 1.121 468 Y CB 1.024 39.527 38.460 0.071 0.000 1.184 468 Y HN 0.230 nan 8.280 nan 0.000 0.469 469 I N 4.297 124.601 120.570 -0.443 0.000 2.404 469 I HA 0.423 4.593 4.170 -0.000 0.000 0.293 469 I C -1.181 174.598 176.117 -0.562 0.000 0.992 469 I CA -0.629 60.451 61.300 -0.367 0.000 1.149 469 I CB 1.199 38.989 38.000 -0.351 0.000 1.315 469 I HN 0.372 nan 8.210 nan 0.000 0.446 470 F N 3.376 123.435 119.950 0.181 0.000 2.518 470 F HA 0.424 4.951 4.527 -0.000 0.000 0.323 470 F C -0.525 175.470 175.800 0.325 0.000 1.129 470 F CA -0.777 57.401 58.000 0.296 0.000 0.920 470 F CB 1.566 40.931 39.000 0.608 0.000 1.160 470 F HN 0.314 nan 8.300 nan 0.000 0.440 471 D N 2.514 123.062 120.400 0.246 0.000 2.408 471 D HA 0.251 4.890 4.640 -0.000 0.000 0.243 471 D C -1.363 174.824 176.300 -0.188 0.000 1.075 471 D CA -0.254 53.821 54.000 0.125 0.000 0.832 471 D CB 1.177 42.009 40.800 0.054 0.000 1.162 471 D HN 0.324 nan 8.370 nan 0.000 0.515 472 W N 3.140 124.359 121.300 -0.135 0.000 2.282 472 W HA 0.452 5.112 4.660 -0.000 0.000 0.322 472 W C -0.051 176.179 176.519 -0.483 0.000 1.011 472 W CA -0.636 56.501 57.345 -0.346 0.000 1.392 472 W CB 0.355 29.638 29.460 -0.295 0.000 1.215 472 W HN 0.162 nan 8.180 nan 0.000 0.394 473 I N 4.281 124.586 120.570 -0.443 0.000 2.307 473 I HA 0.272 4.441 4.170 -0.000 0.000 0.289 473 I C -0.670 175.143 176.117 -0.505 0.000 1.021 473 I CA -0.807 60.243 61.300 -0.417 0.000 1.224 473 I CB 0.208 38.032 38.000 -0.294 0.000 1.376 473 I HN 0.081 nan 8.210 nan 0.000 0.470 474 F N 4.818 124.532 119.950 -0.393 0.000 2.404 474 F HA 0.336 4.862 4.527 -0.000 0.000 0.358 474 F C 0.915 176.769 175.800 0.092 0.000 1.120 474 F CA -0.313 57.442 58.000 -0.408 0.000 1.144 474 F CB 0.223 38.666 39.000 -0.929 0.000 1.133 474 F HN 0.404 nan 8.300 nan 0.000 0.495 475 H N 3.204 122.505 119.070 0.386 0.000 2.487 475 H HA 0.125 4.681 4.556 -0.000 0.000 0.333 475 H C 0.716 176.531 175.328 0.812 0.000 1.114 475 H CA -0.334 55.994 56.048 0.468 0.000 1.310 475 H CB 1.450 31.375 29.762 0.271 0.000 1.462 475 H HN 0.737 nan 8.280 nan 0.000 0.516 476 E N 1.641 122.247 120.200 0.676 0.000 2.204 476 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 476 E C 1.373 178.182 176.600 0.348 0.000 0.990 476 E CA 0.854 57.508 56.400 0.424 0.000 0.821 476 E CB 0.018 29.770 29.700 0.088 0.000 0.750 476 E HN 0.683 nan 8.360 nan 0.000 0.477 477 N N -0.640 118.246 118.700 0.311 0.000 2.521 477 N HA -0.057 4.682 4.740 -0.000 0.000 0.188 477 N C 1.244 176.782 175.510 0.047 0.000 1.146 477 N CA 0.623 53.733 53.050 0.099 0.000 0.893 477 N CB 0.550 39.077 38.487 0.066 0.000 0.975 477 N HN 0.144 nan 8.380 nan 0.000 0.451 478 G N -0.216 108.811 108.800 0.379 0.000 2.218 478 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 478 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 478 G C 0.163 175.476 174.900 0.687 0.000 0.994 478 G CA 0.174 45.521 45.100 0.412 0.000 0.637 478 G HN 0.408 nan 8.290 nan 0.000 0.505 479 T N 1.276 116.082 114.554 0.420 0.000 2.918 479 T HA 0.573 4.922 4.350 -0.000 0.000 0.302 479 T C 0.368 175.188 174.700 0.200 0.000 1.045 479 T CA 0.503 62.694 62.100 0.152 0.000 1.114 479 T CB 1.431 70.084 68.868 -0.358 0.000 0.965 479 T HN 0.335 nan 8.240 nan 0.000 0.540 480 I N 1.675 122.263 120.570 0.030 0.000 2.436 480 I HA 0.524 4.693 4.170 -0.000 0.000 0.289 480 I C 0.629 176.603 176.117 -0.239 0.000 1.010 480 I CA -0.706 60.470 61.300 -0.207 0.000 1.098 480 I CB 1.911 39.703 38.000 -0.347 0.000 1.266 480 I HN 0.699 nan 8.210 nan 0.000 0.434 481 G N 6.551 115.204 108.800 -0.245 0.000 2.420 481 G HA2 0.840 4.799 3.960 -0.000 0.000 0.331 481 G HA3 0.840 4.799 3.960 -0.000 0.000 0.331 481 G C -0.925 173.708 174.900 -0.446 0.000 1.168 481 G CA -0.463 44.496 45.100 -0.235 0.000 0.936 481 G HN 0.504 nan 8.290 nan 0.000 0.479 482 I N 1.524 121.787 120.570 -0.512 0.000 2.531 482 I HA 0.266 4.436 4.170 -0.000 0.000 0.283 482 I C -1.495 174.288 176.117 -0.556 0.000 1.083 482 I CA -0.761 60.043 61.300 -0.827 0.000 1.071 482 I CB 2.223 39.349 38.000 -1.456 0.000 1.210 482 I HN 0.202 nan 8.210 nan 0.000 0.450 483 D N 4.853 125.024 120.400 -0.381 0.000 2.269 483 D HA 0.786 5.426 4.640 -0.000 0.000 0.244 483 D C -0.558 175.674 176.300 -0.114 0.000 0.992 483 D CA -0.352 53.559 54.000 -0.147 0.000 0.894 483 D CB 2.417 43.219 40.800 0.005 0.000 1.248 483 D HN 0.578 nan 8.370 nan 0.000 0.468 484 A N 0.690 123.395 122.820 -0.192 0.000 2.353 484 A HA 0.725 5.044 4.320 -0.000 0.000 0.299 484 A C 0.020 177.204 177.584 -0.667 0.000 1.089 484 A CA -0.680 50.976 52.037 -0.634 0.000 0.736 484 A CB 1.359 19.684 19.000 -1.125 0.000 1.195 484 A HN 0.483 nan 8.150 nan 0.000 0.447 485 G N 0.527 108.676 108.800 -1.084 0.000 2.400 485 G HA2 0.729 4.688 3.960 -0.000 0.000 0.333 485 G HA3 0.729 4.688 3.960 -0.000 0.000 0.333 485 G C -0.390 173.978 174.900 -0.888 0.000 1.143 485 G CA 0.017 44.144 45.100 -1.621 0.000 0.914 485 G HN 1.643 nan 8.290 nan 0.000 0.480 486 A N 1.004 123.380 122.820 -0.740 0.000 2.353 486 A HA 0.847 5.167 4.320 -0.000 0.000 0.299 486 A C -0.214 177.090 177.584 -0.467 0.000 1.089 486 A CA -0.460 51.279 52.037 -0.497 0.000 0.736 486 A CB 1.974 20.685 19.000 -0.481 0.000 1.195 486 A HN 1.011 nan 8.150 nan 0.000 0.447 487 T N 0.606 114.915 114.554 -0.408 0.000 2.681 487 T HA 0.876 5.226 4.350 -0.000 0.000 0.296 487 T C 0.239 174.739 174.700 -0.333 0.000 1.157 487 T CA 0.904 62.805 62.100 -0.331 0.000 1.025 487 T CB 1.346 70.024 68.868 -0.317 0.000 1.441 487 T HN 2.619 nan 8.240 nan 0.000 0.504 488 G N 0.681 109.283 108.800 -0.329 0.000 2.295 488 G HA2 0.131 4.091 3.960 -0.000 0.000 0.195 488 G HA3 0.131 4.091 3.960 -0.000 0.000 0.195 488 G C -1.832 172.808 174.900 -0.433 0.000 1.269 488 G CA -0.240 44.608 45.100 -0.420 0.000 1.170 488 G HN 0.820 nan 8.290 nan 0.000 0.511 489 I N 1.285 121.540 120.570 -0.525 0.000 2.474 489 I HA 0.459 4.629 4.170 -0.000 0.000 0.294 489 I C 0.349 176.280 176.117 -0.310 0.000 1.005 489 I CA -0.826 60.188 61.300 -0.477 0.000 1.113 489 I CB 1.352 38.904 38.000 -0.747 0.000 1.289 489 I HN 0.586 nan 8.210 nan 0.000 0.436 490 E N 3.039 123.257 120.200 0.029 0.000 2.354 490 E HA 0.380 4.730 4.350 -0.000 0.000 0.269 490 E C -0.199 176.453 176.600 0.087 0.000 1.036 490 E CA -0.424 56.042 56.400 0.109 0.000 0.876 490 E CB 1.619 31.467 29.700 0.247 0.000 1.009 490 E HN 0.688 nan 8.360 nan 0.000 0.416 491 A N 3.201 126.058 122.820 0.061 0.000 2.395 491 A HA 0.272 4.592 4.320 -0.000 0.000 0.286 491 A C 0.155 177.963 177.584 0.373 0.000 1.193 491 A CA -0.444 51.702 52.037 0.181 0.000 0.852 491 A CB -0.294 18.744 19.000 0.064 0.000 1.118 491 A HN 0.365 nan 8.150 nan 0.000 0.524 492 V N 0.722 120.876 119.914 0.400 0.000 2.994 492 V HA 0.738 4.858 4.120 -0.000 0.000 0.318 492 V C -0.228 176.159 176.094 0.489 0.000 1.085 492 V CA -1.078 61.381 62.300 0.265 0.000 0.998 492 V CB 1.716 33.480 31.823 -0.098 0.000 1.063 492 V HN 0.808 nan 8.190 nan 0.000 0.447 493 K N 1.845 122.403 120.400 0.263 0.000 2.274 493 K HA 0.667 4.986 4.320 -0.000 0.000 0.262 493 K C 0.113 176.785 176.600 0.121 0.000 0.961 493 K CA -0.250 56.208 56.287 0.284 0.000 0.833 493 K CB 1.389 33.869 32.500 -0.034 0.000 1.102 493 K HN 1.209 nan 8.250 nan 0.000 0.436 494 G N 2.352 111.243 108.800 0.152 0.000 2.403 494 G HA2 0.439 4.399 3.960 -0.000 0.000 0.259 494 G HA3 0.439 4.399 3.960 -0.000 0.000 0.259 494 G C -0.555 174.384 174.900 0.065 0.000 1.244 494 G CA -0.387 44.770 45.100 0.095 0.000 0.849 494 G HN 0.505 nan 8.290 nan 0.000 0.532 495 V N -0.168 119.769 119.914 0.039 0.000 3.114 495 V HA 0.584 4.704 4.120 -0.000 0.000 0.308 495 V C 0.652 176.763 176.094 0.029 0.000 1.168 495 V CA -1.127 61.187 62.300 0.023 0.000 1.015 495 V CB 2.164 33.983 31.823 -0.008 0.000 1.050 495 V HN 0.654 nan 8.190 nan 0.000 0.433 496 K N 1.385 121.799 120.400 0.023 0.000 2.228 496 K HA 0.300 4.619 4.320 -0.000 0.000 0.202 496 K C 1.030 177.644 176.600 0.023 0.000 1.051 496 K CA 1.161 57.462 56.287 0.025 0.000 0.960 496 K CB 0.075 32.587 32.500 0.020 0.000 0.743 496 K HN 0.969 nan 8.250 nan 0.000 0.458 497 A N 2.025 124.853 122.820 0.015 0.000 2.440 497 A HA 0.056 4.376 4.320 -0.000 0.000 0.251 497 A C 0.818 178.426 177.584 0.040 0.000 1.089 497 A CA 0.071 52.117 52.037 0.016 0.000 0.779 497 A CB 0.460 19.456 19.000 -0.006 0.000 1.022 497 A HN 0.138 nan 8.150 nan 0.000 0.492 498 K N 0.107 120.541 120.400 0.057 0.000 2.214 498 K HA 0.064 4.384 4.320 -0.000 0.000 0.201 498 K C 0.804 177.524 176.600 0.199 0.000 1.049 498 K CA 1.412 57.775 56.287 0.127 0.000 0.978 498 K CB 0.229 32.737 32.500 0.015 0.000 0.842 498 K HN 0.908 nan 8.250 nan 0.000 0.474 499 T N -2.687 111.921 114.554 0.090 0.000 2.907 499 T HA 0.261 4.611 4.350 -0.000 0.000 0.290 499 T C 0.733 175.385 174.700 -0.079 0.000 1.066 499 T CA -0.822 61.294 62.100 0.027 0.000 1.012 499 T CB 1.358 70.260 68.868 0.057 0.000 1.184 499 T HN -0.263 nan 8.240 nan 0.000 0.522 500 M N 0.732 120.193 119.600 -0.232 0.000 2.630 500 M HA 0.048 4.528 4.480 -0.000 0.000 0.254 500 M C 1.139 177.268 176.300 -0.286 0.000 1.092 500 M CA 0.900 56.036 55.300 -0.273 0.000 1.087 500 M CB -1.293 31.127 32.600 -0.301 0.000 1.453 500 M HN 0.638 nan 8.290 nan 0.000 0.509 501 H N -0.778 118.298 119.070 0.009 0.000 2.526 501 H HA 0.231 4.787 4.556 -0.000 0.000 0.274 501 H C -0.217 175.113 175.328 0.003 0.000 0.999 501 H CA -0.109 55.942 56.048 0.005 0.000 1.157 501 H CB 0.063 29.830 29.762 0.008 0.000 1.407 501 H HN 0.206 nan 8.280 nan 0.000 0.568 502 D N 0.640 121.075 120.400 0.058 0.000 2.283 502 D HA 0.048 4.688 4.640 -0.000 0.000 0.248 502 D C 1.289 177.603 176.300 0.023 0.000 1.072 502 D CA -0.293 53.732 54.000 0.041 0.000 0.929 502 D CB 1.519 42.335 40.800 0.026 0.000 1.182 502 D HN 0.185 nan 8.370 nan 0.000 0.433 503 E N -0.028 120.184 120.200 0.020 0.000 2.086 503 E HA -0.212 4.138 4.350 -0.000 0.000 0.200 503 E C 1.606 178.206 176.600 0.001 0.000 1.012 503 E CA 1.855 58.262 56.400 0.011 0.000 0.812 503 E CB -0.038 29.667 29.700 0.010 0.000 0.743 503 E HN 0.573 nan 8.360 nan 0.000 0.453 504 T N -1.633 112.921 114.554 -0.000 0.000 3.088 504 T HA 0.260 4.610 4.350 -0.000 0.000 0.259 504 T C 1.927 176.614 174.700 -0.022 0.000 1.122 504 T CA 0.503 62.598 62.100 -0.008 0.000 1.095 504 T CB 0.135 69.002 68.868 -0.001 0.000 0.930 504 T HN 0.181 nan 8.240 nan 0.000 0.508 505 A N 2.636 125.442 122.820 -0.023 0.000 1.915 505 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 505 A C 2.413 179.960 177.584 -0.060 0.000 1.198 505 A CA 2.050 54.061 52.037 -0.043 0.000 0.647 505 A CB -0.838 18.132 19.000 -0.050 0.000 0.825 505 A HN 0.447 nan 8.150 nan 0.000 0.456 506 K N -0.659 119.707 120.400 -0.056 0.000 2.032 506 K HA -0.183 4.136 4.320 -0.000 0.000 0.209 506 K C 1.517 178.060 176.600 -0.095 0.000 1.048 506 K CA 1.894 58.137 56.287 -0.073 0.000 0.927 506 K CB -0.391 32.075 32.500 -0.056 0.000 0.712 506 K HN 0.577 nan 8.250 nan 0.000 0.441 507 D N 0.692 121.048 120.400 -0.074 0.000 2.149 507 D HA -0.118 4.521 4.640 -0.000 0.000 0.201 507 D C 1.499 177.749 176.300 -0.083 0.000 0.972 507 D CA 0.806 54.759 54.000 -0.078 0.000 0.835 507 D CB -0.129 40.651 40.800 -0.034 0.000 0.966 507 D HN 0.185 nan 8.370 nan 0.000 0.476 508 D N 0.313 120.676 120.400 -0.062 0.000 2.149 508 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 508 D C 1.954 178.199 176.300 -0.091 0.000 0.990 508 D CA 1.433 55.400 54.000 -0.055 0.000 0.839 508 D CB -0.268 40.505 40.800 -0.045 0.000 0.948 508 D HN 0.305 nan 8.370 nan 0.000 0.460 509 T N -2.487 111.993 114.554 -0.122 0.000 3.163 509 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 509 T C 1.522 176.086 174.700 -0.226 0.000 1.056 509 T CA -0.367 61.642 62.100 -0.151 0.000 0.947 509 T CB 0.470 69.261 68.868 -0.128 0.000 1.016 509 T HN -0.012 nan 8.240 nan 0.000 0.554 510 R N 0.424 120.727 120.500 -0.328 0.000 2.096 510 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 510 R C 0.456 176.273 176.300 -0.805 0.000 1.127 510 R CA 1.422 57.141 56.100 -0.635 0.000 0.968 510 R CB -0.144 29.639 30.300 -0.862 0.000 0.861 510 R HN 0.599 nan 8.270 nan 0.000 0.440 511 Y N -1.189 119.023 120.300 -0.147 0.000 2.681 511 Y HA 0.507 5.057 4.550 -0.000 0.000 0.267 511 Y C 0.389 176.176 175.900 -0.188 0.000 1.166 511 Y CA -0.082 57.919 58.100 -0.165 0.000 1.209 511 Y CB 1.382 39.734 38.460 -0.180 0.000 1.161 511 Y HN 0.160 nan 8.280 nan 0.000 0.534 512 G N -0.868 107.865 108.800 -0.111 0.000 2.355 512 G HA2 0.314 4.274 3.960 -0.000 0.000 0.296 512 G HA3 0.314 4.274 3.960 -0.000 0.000 0.296 512 G C -1.157 173.663 174.900 -0.132 0.000 1.507 512 G CA -0.992 44.034 45.100 -0.123 0.000 0.823 512 G HN -0.158 nan 8.290 nan 0.000 0.569 513 T N 0.409 114.889 114.554 -0.123 0.000 2.899 513 T HA 0.384 4.734 4.350 -0.000 0.000 0.295 513 T C 0.366 174.985 174.700 -0.135 0.000 1.033 513 T CA -0.091 61.941 62.100 -0.113 0.000 1.084 513 T CB 1.412 70.231 68.868 -0.082 0.000 0.979 513 T HN 0.690 nan 8.240 nan 0.000 0.532 514 L N 4.990 126.138 121.223 -0.125 0.000 2.385 514 L HA 0.331 4.671 4.340 -0.000 0.000 0.285 514 L C 1.000 177.780 176.870 -0.151 0.000 1.125 514 L CA 0.059 54.816 54.840 -0.138 0.000 0.890 514 L CB -0.528 41.467 42.059 -0.107 0.000 1.251 514 L HN 0.719 nan 8.230 nan 0.000 0.445 515 I N -0.292 120.143 120.570 -0.224 0.000 3.728 515 I HA 0.379 4.549 4.170 -0.000 0.000 0.307 515 I C -0.178 175.785 176.117 -0.256 0.000 1.276 515 I CA 0.177 61.348 61.300 -0.215 0.000 1.285 515 I CB 0.103 37.970 38.000 -0.221 0.000 1.038 515 I HN 0.474 nan 8.210 nan 0.000 0.445 516 D N -0.114 120.094 120.400 -0.320 0.000 2.653 516 D HA 0.278 4.917 4.640 -0.000 0.000 0.258 516 D C -1.050 175.135 176.300 -0.191 0.000 1.252 516 D CA -0.523 53.319 54.000 -0.262 0.000 0.777 516 D CB 1.266 41.949 40.800 -0.196 0.000 1.339 516 D HN 0.172 nan 8.370 nan 0.000 0.422 517 H N 1.375 120.458 119.070 0.023 0.000 3.107 517 H HA 0.140 4.696 4.556 -0.000 0.000 0.301 517 H C 0.404 175.739 175.328 0.012 0.000 0.981 517 H CA 0.948 57.009 56.048 0.023 0.000 1.443 517 H CB -0.184 29.612 29.762 0.057 0.000 1.479 517 H HN 0.376 nan 8.280 nan 0.000 0.564 518 N N 0.947 119.713 118.700 0.109 0.000 2.800 518 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 518 N C -1.156 174.355 175.510 0.002 0.000 1.078 518 N CA 0.859 53.944 53.050 0.058 0.000 0.804 518 N CB -0.926 37.619 38.487 0.097 0.000 1.135 518 N HN 0.473 nan 8.380 nan 0.000 0.565 519 I N 0.452 120.972 120.570 -0.083 0.000 2.478 519 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 519 I C -0.515 175.442 176.117 -0.267 0.000 1.042 519 I CA -0.928 60.250 61.300 -0.203 0.000 1.067 519 I CB 1.934 39.706 38.000 -0.379 0.000 1.233 519 I HN -0.247 nan 8.210 nan 0.000 0.431 520 V N 5.066 124.849 119.914 -0.217 0.000 2.384 520 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 520 V C 0.664 176.614 176.094 -0.239 0.000 1.020 520 V CA -0.564 61.605 62.300 -0.218 0.000 0.850 520 V CB 1.659 33.376 31.823 -0.177 0.000 0.987 520 V HN 0.877 nan 8.190 nan 0.000 0.436 521 G N 3.022 111.682 108.800 -0.234 0.000 2.508 521 G HA2 0.276 4.236 3.960 -0.000 0.000 0.301 521 G HA3 0.276 4.236 3.960 -0.000 0.000 0.301 521 G C 0.321 175.137 174.900 -0.140 0.000 0.965 521 G CA -0.119 44.877 45.100 -0.172 0.000 1.339 521 G HN 0.637 nan 8.290 nan 0.000 0.455 522 T N 2.952 117.415 114.554 -0.152 0.000 2.793 522 T HA 0.118 4.468 4.350 -0.000 0.000 0.289 522 T C 1.155 175.925 174.700 0.117 0.000 0.956 522 T CA 0.333 62.327 62.100 -0.176 0.000 1.177 522 T CB 0.268 68.757 68.868 -0.632 0.000 0.897 522 T HN 0.464 nan 8.240 nan 0.000 0.533 523 T N 5.945 120.509 114.554 0.016 0.000 2.946 523 T HA 0.167 4.517 4.350 -0.000 0.000 0.312 523 T C 0.303 175.036 174.700 0.055 0.000 1.066 523 T CA 0.043 62.136 62.100 -0.012 0.000 1.138 523 T CB -0.033 68.785 68.868 -0.084 0.000 1.014 523 T HN 0.833 nan 8.240 nan 0.000 0.544 524 H N 0.029 118.907 119.070 -0.320 0.000 2.902 524 H HA 0.475 5.031 4.556 -0.000 0.000 0.297 524 H C -1.292 173.865 175.328 -0.285 0.000 1.406 524 H CA -1.119 54.635 56.048 -0.491 0.000 1.134 524 H CB 0.909 29.907 29.762 -1.273 0.000 1.833 524 H HN 0.529 nan 8.280 nan 0.000 0.527 525 Q N -0.003 119.642 119.800 -0.258 0.000 2.416 525 Q HA 0.394 4.733 4.340 -0.000 0.000 0.279 525 Q C -0.907 174.947 176.000 -0.243 0.000 1.101 525 Q CA -0.932 54.771 55.803 -0.166 0.000 0.830 525 Q CB 2.615 31.333 28.738 -0.033 0.000 1.402 525 Q HN 0.529 nan 8.270 nan 0.000 0.445 526 H N 1.360 120.402 119.070 -0.047 0.000 2.860 526 H HA 0.428 4.984 4.556 -0.000 0.000 0.312 526 H C -0.950 174.225 175.328 -0.254 0.000 0.995 526 H CA -0.246 55.731 56.048 -0.117 0.000 1.311 526 H CB 0.743 30.472 29.762 -0.055 0.000 1.478 526 H HN 0.433 nan 8.280 nan 0.000 0.508 527 I N 4.324 124.765 120.570 -0.214 0.000 2.410 527 I HA 0.187 4.356 4.170 -0.000 0.000 0.286 527 I C -0.801 175.216 176.117 -0.167 0.000 1.009 527 I CA -0.701 60.532 61.300 -0.112 0.000 1.111 527 I CB 0.986 38.970 38.000 -0.026 0.000 1.262 527 I HN 0.353 nan 8.210 nan 0.000 0.443 528 Y N 4.338 124.741 120.300 0.171 0.000 2.361 528 Y HA 0.447 4.997 4.550 -0.000 0.000 0.332 528 Y C 0.145 175.993 175.900 -0.088 0.000 1.101 528 Y CA -0.761 57.327 58.100 -0.019 0.000 1.137 528 Y CB 1.267 39.666 38.460 -0.102 0.000 1.207 528 Y HN 0.500 nan 8.280 nan 0.000 0.463 529 N N 1.990 120.589 118.700 -0.169 0.000 2.410 529 N HA 0.500 5.240 4.740 -0.000 0.000 0.287 529 N C -2.114 173.204 175.510 -0.321 0.000 1.044 529 N CA -0.453 52.529 53.050 -0.115 0.000 0.881 529 N CB 0.808 39.205 38.487 -0.149 0.000 1.405 529 N HN 0.354 nan 8.380 nan 0.000 0.490 530 F N 1.526 121.600 119.950 0.207 0.000 2.436 530 F HA 0.454 4.981 4.527 -0.000 0.000 0.340 530 F C 0.761 176.587 175.800 0.043 0.000 1.113 530 F CA -0.870 57.208 58.000 0.131 0.000 1.022 530 F CB 1.443 40.487 39.000 0.073 0.000 1.128 530 F HN 0.278 nan 8.300 nan 0.000 0.466 531 R N 4.788 125.326 120.500 0.063 0.000 2.198 531 R HA 0.587 4.926 4.340 -0.000 0.000 0.339 531 R C -1.753 174.381 176.300 -0.277 0.000 1.020 531 R CA -0.361 55.468 56.100 -0.452 0.000 0.864 531 R CB 0.198 30.053 30.300 -0.742 0.000 1.105 531 R HN 0.803 nan 8.270 nan 0.000 0.463 532 L N 4.384 125.430 121.223 -0.295 0.000 2.353 532 L HA 0.281 4.620 4.340 -0.000 0.000 0.270 532 L C -0.410 176.375 176.870 -0.141 0.000 1.003 532 L CA -0.841 53.921 54.840 -0.130 0.000 0.862 532 L CB 1.629 43.675 42.059 -0.022 0.000 1.221 532 L HN 0.516 nan 8.230 nan 0.000 0.430 533 D N 4.086 124.422 120.400 -0.108 0.000 2.600 533 D HA 0.185 4.825 4.640 -0.000 0.000 0.226 533 D C 0.019 176.346 176.300 0.044 0.000 1.119 533 D CA -0.001 53.987 54.000 -0.020 0.000 1.051 533 D CB 0.116 40.945 40.800 0.047 0.000 1.106 533 D HN 0.347 nan 8.370 nan 0.000 0.491 534 L N 1.839 123.072 121.223 0.017 0.000 2.453 534 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 534 L C 0.210 177.120 176.870 0.067 0.000 1.182 534 L CA 0.183 55.035 54.840 0.021 0.000 0.858 534 L CB 0.618 42.659 42.059 -0.029 0.000 1.120 534 L HN 0.111 nan 8.230 nan 0.000 0.474 535 D N 2.426 122.891 120.400 0.108 0.000 2.412 535 D HA 0.182 4.821 4.640 -0.000 0.000 0.276 535 D C -0.531 175.811 176.300 0.070 0.000 1.196 535 D CA -0.215 53.845 54.000 0.099 0.000 0.905 535 D CB 1.468 42.374 40.800 0.176 0.000 1.081 535 D HN 0.020 nan 8.370 nan 0.000 0.502 536 V N 2.531 122.495 119.914 0.084 0.000 2.377 536 V HA 0.011 4.130 4.120 -0.000 0.000 0.254 536 V C 1.043 177.271 176.094 0.224 0.000 1.060 536 V CA 0.060 62.474 62.300 0.190 0.000 1.068 536 V CB 0.245 32.205 31.823 0.230 0.000 1.113 536 V HN 0.548 nan 8.190 nan 0.000 0.484 537 D N 3.381 123.959 120.400 0.297 0.000 2.983 537 D HA -0.146 4.494 4.640 -0.000 0.000 0.225 537 D C 0.363 176.636 176.300 -0.045 0.000 1.174 537 D CA 1.835 55.901 54.000 0.109 0.000 0.831 537 D CB -0.952 39.825 40.800 -0.038 0.000 1.104 537 D HN 1.194 nan 8.370 nan 0.000 0.421 538 G N -1.354 107.401 108.800 -0.075 0.000 2.352 538 G HA2 0.157 4.117 3.960 -0.000 0.000 0.302 538 G HA3 0.157 4.117 3.960 -0.000 0.000 0.302 538 G C 0.037 174.881 174.900 -0.094 0.000 1.370 538 G CA 0.280 45.296 45.100 -0.140 0.000 0.918 538 G HN 0.070 nan 8.290 nan 0.000 0.610 539 E N -0.406 119.730 120.200 -0.107 0.000 2.028 539 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 539 E C 0.321 176.907 176.600 -0.024 0.000 0.984 539 E CA 0.580 56.942 56.400 -0.064 0.000 0.800 539 E CB -0.087 29.565 29.700 -0.080 0.000 0.758 539 E HN 0.375 nan 8.360 nan 0.000 0.448 540 N N 2.250 120.938 118.700 -0.020 0.000 2.401 540 N HA 0.112 4.852 4.740 -0.000 0.000 0.255 540 N C -0.875 174.643 175.510 0.013 0.000 1.110 540 N CA 0.148 53.199 53.050 0.002 0.000 0.949 540 N CB 0.804 39.290 38.487 -0.001 0.000 1.110 540 N HN 0.152 nan 8.380 nan 0.000 0.490 541 N N 0.011 118.728 118.700 0.028 0.000 2.697 541 N HA 0.495 5.235 4.740 -0.000 0.000 0.272 541 N C -0.946 174.589 175.510 0.042 0.000 1.381 541 N CA -0.500 52.574 53.050 0.040 0.000 0.797 541 N CB 1.468 39.986 38.487 0.052 0.000 1.523 541 N HN 0.195 nan 8.380 nan 0.000 0.518 542 S N 0.173 115.898 115.700 0.042 0.000 2.546 542 S HA 0.463 4.933 4.470 -0.000 0.000 0.274 542 S C -1.341 173.277 174.600 0.030 0.000 1.121 542 S CA -0.573 57.650 58.200 0.038 0.000 0.887 542 S CB 1.949 65.167 63.200 0.030 0.000 1.094 542 S HN 0.442 nan 8.310 nan 0.000 0.474 543 L N 3.318 124.558 121.223 0.028 0.000 2.276 543 L HA 0.689 5.028 4.340 -0.000 0.000 0.286 543 L C -1.246 175.601 176.870 -0.039 0.000 1.061 543 L CA -0.066 54.778 54.840 0.008 0.000 0.807 543 L CB 0.761 42.841 42.059 0.035 0.000 1.177 543 L HN 0.462 nan 8.230 nan 0.000 0.429 544 V N 5.323 125.183 119.914 -0.091 0.000 2.444 544 V HA 0.758 4.878 4.120 -0.000 0.000 0.294 544 V C 0.190 176.113 176.094 -0.285 0.000 1.022 544 V CA -0.596 61.600 62.300 -0.174 0.000 0.850 544 V CB 1.273 33.014 31.823 -0.138 0.000 0.992 544 V HN 0.957 nan 8.190 nan 0.000 0.426 545 A N 6.009 128.521 122.820 -0.513 0.000 2.309 545 A HA 0.896 5.216 4.320 -0.000 0.000 0.298 545 A C -0.354 176.906 177.584 -0.541 0.000 1.165 545 A CA -0.432 51.227 52.037 -0.630 0.000 0.821 545 A CB 0.666 19.013 19.000 -1.088 0.000 1.102 545 A HN 0.848 nan 8.150 nan 0.000 0.500 546 M N 2.838 122.248 119.600 -0.317 0.000 2.007 546 M HA 0.227 4.707 4.480 -0.000 0.000 0.285 546 M C -1.607 174.637 176.300 -0.094 0.000 0.893 546 M CA -0.367 54.824 55.300 -0.181 0.000 0.925 546 M CB 1.547 34.025 32.600 -0.203 0.000 1.568 546 M HN 0.574 nan 8.290 nan 0.000 0.414 547 D N 5.151 125.550 120.400 -0.001 0.000 2.373 547 D HA 0.353 4.993 4.640 -0.000 0.000 0.227 547 D C -2.453 173.872 176.300 0.041 0.000 1.091 547 D CA -1.449 52.574 54.000 0.038 0.000 0.840 547 D CB 1.161 42.034 40.800 0.120 0.000 1.060 547 D HN 0.147 nan 8.370 nan 0.000 0.502 548 P HA 0.024 nan 4.420 nan 0.000 0.267 548 P C -0.401 176.915 177.300 0.027 0.000 1.209 548 P CA -0.252 62.866 63.100 0.031 0.000 0.763 548 P CB 0.747 32.465 31.700 0.029 0.000 0.816 549 V N 1.363 121.295 119.914 0.030 0.000 3.078 549 V HA 0.557 4.677 4.120 -0.000 0.000 0.311 549 V C -0.453 175.653 176.094 0.019 0.000 1.138 549 V CA -1.174 61.139 62.300 0.023 0.000 1.007 549 V CB 2.184 34.023 31.823 0.025 0.000 1.045 549 V HN 0.108 nan 8.190 nan 0.000 0.432 550 V N 2.592 122.514 119.914 0.013 0.000 2.385 550 V HA 0.482 4.602 4.120 -0.000 0.000 0.269 550 V C 0.230 176.330 176.094 0.010 0.000 1.043 550 V CA -0.291 62.016 62.300 0.011 0.000 0.906 550 V CB 0.709 32.537 31.823 0.008 0.000 0.995 550 V HN 0.928 nan 8.190 nan 0.000 0.467 551 K N 6.180 126.586 120.400 0.011 0.000 2.259 551 K HA 0.545 4.864 4.320 -0.000 0.000 0.249 551 K C -2.735 173.869 176.600 0.008 0.000 0.942 551 K CA -1.976 54.317 56.287 0.009 0.000 0.816 551 K CB 2.579 35.086 32.500 0.012 0.000 1.155 551 K HN 0.330 nan 8.250 nan 0.000 0.428 552 P HA -0.053 nan 4.420 nan 0.000 0.271 552 P C -1.024 176.279 177.300 0.005 0.000 1.216 552 P CA -0.070 63.032 63.100 0.005 0.000 0.776 552 P CB 0.402 32.104 31.700 0.003 0.000 0.881 553 N N 1.469 120.172 118.700 0.005 0.000 2.442 553 N HA 0.069 4.809 4.740 -0.000 0.000 0.265 553 N C 0.695 176.208 175.510 0.004 0.000 1.138 553 N CA -0.129 52.924 53.050 0.005 0.000 0.956 553 N CB 0.499 38.989 38.487 0.005 0.000 1.067 553 N HN 0.367 nan 8.380 nan 0.000 0.474 554 T N 0.056 114.613 114.554 0.005 0.000 3.044 554 T HA 0.219 4.569 4.350 -0.000 0.000 0.260 554 T C 1.299 176.001 174.700 0.004 0.000 1.019 554 T CA -0.021 62.081 62.100 0.004 0.000 0.921 554 T CB 0.331 69.201 68.868 0.004 0.000 1.053 554 T HN 0.434 nan 8.240 nan 0.000 0.533 555 A N 1.091 123.914 122.820 0.004 0.000 2.238 555 A HA 0.672 4.992 4.320 -0.000 0.000 0.208 555 A C 1.491 179.077 177.584 0.003 0.000 1.177 555 A CA 0.381 52.420 52.037 0.004 0.000 0.804 555 A CB -0.956 18.047 19.000 0.004 0.000 0.823 555 A HN 1.387 nan 8.150 nan 0.000 0.482 556 G N -2.406 106.396 108.800 0.003 0.000 2.685 556 G HA2 0.455 4.414 3.960 -0.000 0.000 0.387 556 G HA3 0.455 4.414 3.960 -0.000 0.000 0.387 556 G C 0.761 175.663 174.900 0.002 0.000 1.324 556 G CA -0.129 44.972 45.100 0.002 0.000 0.878 556 G HN 2.449 nan 8.290 nan 0.000 0.527 557 G N -1.384 107.417 108.800 0.002 0.000 2.828 557 G HA2 0.223 4.183 3.960 -0.000 0.000 0.463 557 G HA3 0.223 4.183 3.960 -0.000 0.000 0.463 557 G C -0.767 174.134 174.900 0.002 0.000 1.394 557 G CA 0.585 45.685 45.100 0.001 0.000 0.862 557 G HN 1.394 nan 8.290 nan 0.000 0.540 558 P HA 0.051 nan 4.420 nan 0.000 0.223 558 P C 0.954 178.255 177.300 0.002 0.000 1.151 558 P CA 0.581 63.682 63.100 0.002 0.000 0.787 558 P CB 0.114 31.815 31.700 0.001 0.000 0.788 559 R N 0.113 120.615 120.500 0.002 0.000 2.537 559 R HA 0.078 4.418 4.340 -0.000 0.000 0.280 559 R C 1.594 177.895 176.300 0.003 0.000 1.058 559 R CA 0.674 56.776 56.100 0.003 0.000 1.057 559 R CB -0.112 30.190 30.300 0.004 0.000 0.973 559 R HN 0.201 nan 8.270 nan 0.000 0.438 560 T N -1.779 112.777 114.554 0.003 0.000 2.937 560 T HA -0.018 4.332 4.350 -0.000 0.000 0.260 560 T C 0.938 175.641 174.700 0.004 0.000 1.051 560 T CA 0.674 62.776 62.100 0.003 0.000 1.141 560 T CB 0.167 69.037 68.868 0.002 0.000 0.879 560 T HN 0.548 nan 8.240 nan 0.000 0.459 561 S N 0.703 116.405 115.700 0.004 0.000 2.671 561 S HA 0.722 5.192 4.470 -0.000 0.000 0.299 561 S C -0.442 174.162 174.600 0.007 0.000 1.116 561 S CA -0.393 57.810 58.200 0.006 0.000 0.912 561 S CB 1.919 65.122 63.200 0.006 0.000 1.130 561 S HN 0.774 nan 8.310 nan 0.000 0.501 562 T N -1.681 112.878 114.554 0.009 0.000 2.896 562 T HA 0.662 5.011 4.350 -0.000 0.000 0.297 562 T C -0.762 173.946 174.700 0.014 0.000 1.108 562 T CA -0.929 61.177 62.100 0.011 0.000 1.004 562 T CB 1.173 70.047 68.868 0.011 0.000 1.159 562 T HN 0.650 nan 8.240 nan 0.000 0.499 563 M N 2.386 121.995 119.600 0.016 0.000 2.061 563 M HA 0.429 4.909 4.480 -0.000 0.000 0.346 563 M C -0.183 176.132 176.300 0.026 0.000 1.112 563 M CA -0.395 54.917 55.300 0.021 0.000 1.021 563 M CB 1.247 33.861 32.600 0.022 0.000 1.530 563 M HN 0.648 nan 8.290 nan 0.000 0.437 564 Q N 1.432 121.249 119.800 0.029 0.000 2.683 564 Q HA 0.780 5.120 4.340 -0.000 0.000 0.302 564 Q C -1.382 174.644 176.000 0.043 0.000 1.042 564 Q CA -1.069 54.755 55.803 0.035 0.000 0.773 564 Q CB 3.352 32.108 28.738 0.031 0.000 1.508 564 Q HN 0.461 nan 8.270 nan 0.000 0.459 565 V N 1.043 120.987 119.914 0.051 0.000 2.604 565 V HA 0.332 4.451 4.120 -0.000 0.000 0.305 565 V C -1.041 175.095 176.094 0.069 0.000 1.043 565 V CA -0.776 61.558 62.300 0.058 0.000 0.888 565 V CB 1.795 33.656 31.823 0.062 0.000 0.995 565 V HN 0.677 nan 8.190 nan 0.000 0.429 566 N N 3.889 122.644 118.700 0.091 0.000 2.500 566 N HA 0.351 5.091 4.740 -0.000 0.000 0.236 566 N C -0.555 175.093 175.510 0.229 0.000 1.022 566 N CA -0.300 52.838 53.050 0.147 0.000 0.935 566 N CB 1.033 39.608 38.487 0.147 0.000 1.147 566 N HN 0.735 nan 8.380 nan 0.000 0.512 567 Q N 3.392 123.308 119.800 0.192 0.000 2.274 567 Q HA 0.427 4.767 4.340 -0.000 0.000 0.260 567 Q C -1.607 174.543 176.000 0.250 0.000 0.974 567 Q CA -0.707 55.160 55.803 0.107 0.000 0.876 567 Q CB 0.991 29.745 28.738 0.027 0.000 1.297 567 Q HN 0.612 nan 8.270 nan 0.000 0.446 568 Y N -0.385 119.912 120.300 -0.005 0.000 2.662 568 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 568 Y C -1.665 174.237 175.900 0.003 0.000 1.185 568 Y CA -1.503 56.598 58.100 0.002 0.000 1.074 568 Y CB 0.420 38.882 38.460 0.003 0.000 1.330 568 Y HN 0.553 nan 8.280 nan 0.000 0.458 569 N N 1.159 119.930 118.700 0.119 0.000 2.513 569 N HA 0.492 5.232 4.740 -0.000 0.000 0.274 569 N C -1.091 174.491 175.510 0.119 0.000 1.189 569 N CA -0.328 52.752 53.050 0.051 0.000 0.975 569 N CB 0.950 39.473 38.487 0.061 0.000 1.157 569 N HN 0.689 nan 8.380 nan 0.000 0.465 570 I N 0.759 121.363 120.570 0.057 0.000 2.371 570 I HA 0.269 4.439 4.170 -0.000 0.000 0.282 570 I C 1.426 177.589 176.117 0.076 0.000 1.031 570 I CA -0.382 60.970 61.300 0.087 0.000 1.180 570 I CB 1.307 39.342 38.000 0.059 0.000 1.336 570 I HN 0.667 nan 8.210 nan 0.000 0.467 571 G N 5.072 113.922 108.800 0.084 0.000 2.464 571 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 571 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 571 G C 0.406 175.350 174.900 0.074 0.000 1.138 571 G CA 0.418 45.562 45.100 0.074 0.000 0.793 571 G HN 0.664 nan 8.290 nan 0.000 0.539 572 N N -1.921 116.826 118.700 0.079 0.000 2.902 572 N HA 0.278 5.017 4.740 -0.000 0.000 0.268 572 N C 0.300 175.869 175.510 0.098 0.000 1.450 572 N CA -0.745 52.357 53.050 0.086 0.000 0.819 572 N CB 0.711 39.245 38.487 0.078 0.000 1.540 572 N HN -0.042 nan 8.380 nan 0.000 0.545 573 E N -0.730 119.540 120.200 0.116 0.000 2.110 573 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 573 E C 0.980 177.654 176.600 0.123 0.000 0.988 573 E CA 1.068 57.555 56.400 0.145 0.000 0.804 573 E CB -0.059 29.747 29.700 0.177 0.000 0.745 573 E HN 0.469 nan 8.360 nan 0.000 0.458 574 Q N 0.767 120.624 119.800 0.096 0.000 2.079 574 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 574 Q C 1.608 177.624 176.000 0.026 0.000 0.974 574 Q CA 1.141 56.983 55.803 0.064 0.000 0.840 574 Q CB -0.128 28.647 28.738 0.062 0.000 0.898 574 Q HN 0.323 nan 8.270 nan 0.000 0.430 575 D N 0.480 120.906 120.400 0.043 0.000 2.149 575 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 575 D C 1.634 177.951 176.300 0.028 0.000 0.972 575 D CA 1.165 55.188 54.000 0.039 0.000 0.835 575 D CB -0.084 40.754 40.800 0.064 0.000 0.966 575 D HN 0.208 nan 8.370 nan 0.000 0.476 576 A N 0.676 123.523 122.820 0.045 0.000 2.121 576 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 576 A C 1.434 178.999 177.584 -0.030 0.000 1.154 576 A CA 0.860 52.926 52.037 0.048 0.000 0.679 576 A CB -0.281 18.784 19.000 0.107 0.000 0.795 576 A HN 0.168 nan 8.150 nan 0.000 0.458 577 A N 0.859 123.602 122.820 -0.128 0.000 2.539 577 A HA 0.518 4.838 4.320 -0.000 0.000 0.306 577 A C 0.148 177.456 177.584 -0.460 0.000 1.392 577 A CA -0.222 51.517 52.037 -0.495 0.000 1.060 577 A CB -0.555 18.145 19.000 -0.500 0.000 1.134 577 A HN 0.691 nan 8.150 nan 0.000 0.542 578 Q N 1.454 120.992 119.800 -0.436 0.000 2.648 578 Q HA 0.508 4.848 4.340 -0.000 0.000 0.300 578 Q C -1.199 174.723 176.000 -0.131 0.000 0.954 578 Q CA -1.337 54.331 55.803 -0.226 0.000 0.757 578 Q CB 0.961 29.653 28.738 -0.076 0.000 1.482 578 Q HN 0.303 nan 8.270 nan 0.000 0.437 579 K N 0.705 121.079 120.400 -0.043 0.000 2.326 579 K HA 0.288 4.607 4.320 -0.000 0.000 0.275 579 K C -1.071 175.603 176.600 0.124 0.000 1.018 579 K CA -0.101 56.208 56.287 0.036 0.000 0.962 579 K CB 0.468 32.977 32.500 0.016 0.000 0.953 579 K HN 0.551 nan 8.250 nan 0.000 0.475 580 F N 2.291 122.255 119.950 0.022 0.000 2.411 580 F HA 0.148 4.675 4.527 -0.000 0.000 0.352 580 F C -0.263 175.574 175.800 0.061 0.000 1.123 580 F CA -1.263 56.768 58.000 0.050 0.000 1.044 580 F CB 1.059 40.115 39.000 0.093 0.000 1.135 580 F HN 0.382 nan 8.300 nan 0.000 0.461 581 D N 8.513 128.449 120.400 -0.773 0.000 2.329 581 D HA 0.335 4.974 4.640 -0.000 0.000 0.232 581 D C -1.935 173.675 176.300 -1.150 0.000 1.088 581 D CA -2.676 50.942 54.000 -0.637 0.000 0.835 581 D CB 2.005 42.614 40.800 -0.318 0.000 1.078 581 D HN 0.263 nan 8.370 nan 0.000 0.495 582 P HA 0.026 nan 4.420 nan 0.000 0.234 582 P C 1.077 178.284 177.300 -0.154 0.000 1.167 582 P CA 0.419 63.345 63.100 -0.290 0.000 0.763 582 P CB 0.280 32.072 31.700 0.155 0.000 0.835 583 G N -0.394 108.293 108.800 -0.188 0.000 2.777 583 G HA2 0.002 3.962 3.960 -0.000 0.000 0.211 583 G HA3 0.002 3.962 3.960 -0.000 0.000 0.211 583 G C 0.688 175.532 174.900 -0.093 0.000 1.149 583 G CA 0.527 45.574 45.100 -0.090 0.000 0.785 583 G HN 0.425 nan 8.290 nan 0.000 0.536 584 T N -1.612 112.834 114.554 -0.180 0.000 2.923 584 T HA 0.719 5.069 4.350 -0.000 0.000 0.281 584 T C -0.401 174.266 174.700 -0.056 0.000 0.995 584 T CA -0.818 61.208 62.100 -0.123 0.000 0.985 584 T CB 2.191 70.974 68.868 -0.142 0.000 1.114 584 T HN -0.067 nan 8.240 nan 0.000 0.548 585 I N 1.005 121.543 120.570 -0.054 0.000 2.465 585 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 585 I C -0.131 175.927 176.117 -0.098 0.000 1.014 585 I CA -1.093 60.153 61.300 -0.090 0.000 1.093 585 I CB 1.831 39.638 38.000 -0.322 0.000 1.267 585 I HN 0.394 nan 8.210 nan 0.000 0.431 586 R N 6.992 127.473 120.500 -0.031 0.000 2.451 586 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 586 R C -1.311 174.917 176.300 -0.121 0.000 0.965 586 R CA -0.685 55.386 56.100 -0.048 0.000 0.865 586 R CB 1.832 32.184 30.300 0.087 0.000 1.174 586 R HN 0.563 nan 8.270 nan 0.000 0.455 587 L N 3.156 124.278 121.223 -0.168 0.000 2.342 587 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 587 L C -0.441 176.402 176.870 -0.046 0.000 1.008 587 L CA -1.311 53.443 54.840 -0.144 0.000 0.818 587 L CB 1.991 43.894 42.059 -0.261 0.000 1.296 587 L HN 0.265 nan 8.230 nan 0.000 0.427 588 L N 1.849 123.086 121.223 0.024 0.000 2.301 588 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 588 L C -0.371 176.555 176.870 0.092 0.000 1.022 588 L CA 0.390 55.267 54.840 0.061 0.000 0.854 588 L CB 1.206 43.313 42.059 0.080 0.000 1.226 588 L HN 0.541 nan 8.230 nan 0.000 0.429 589 S N 3.122 118.860 115.700 0.063 0.000 2.638 589 S HA 0.481 4.951 4.470 -0.000 0.000 0.298 589 S C -0.449 174.193 174.600 0.070 0.000 1.111 589 S CA -0.730 57.516 58.200 0.077 0.000 1.027 589 S CB 1.349 64.575 63.200 0.043 0.000 1.064 589 S HN 0.605 nan 8.310 nan 0.000 0.525 590 N N 2.632 121.375 118.700 0.072 0.000 2.527 590 N HA 0.284 5.024 4.740 -0.000 0.000 0.236 590 N C -2.044 173.479 175.510 0.022 0.000 0.999 590 N CA -2.128 50.948 53.050 0.043 0.000 0.935 590 N CB 1.233 39.740 38.487 0.035 0.000 1.132 590 N HN 0.238 nan 8.380 nan 0.000 0.511 591 P HA 0.024 nan 4.420 nan 0.000 0.242 591 P C 0.014 177.315 177.300 0.002 0.000 1.197 591 P CA 0.648 63.756 63.100 0.013 0.000 0.765 591 P CB 0.483 32.194 31.700 0.017 0.000 0.936 592 N N -0.122 118.575 118.700 -0.006 0.000 2.254 592 N HA 0.084 4.824 4.740 -0.000 0.000 0.190 592 N C 0.291 175.781 175.510 -0.033 0.000 1.107 592 N CA 0.335 53.375 53.050 -0.018 0.000 0.869 592 N CB 0.687 39.162 38.487 -0.021 0.000 0.983 592 N HN 0.289 nan 8.380 nan 0.000 0.487 593 K N 0.656 121.033 120.400 -0.038 0.000 2.502 593 K HA 0.417 4.737 4.320 -0.000 0.000 0.257 593 K C -0.952 175.611 176.600 -0.061 0.000 0.938 593 K CA -0.492 55.757 56.287 -0.065 0.000 0.819 593 K CB 2.531 34.969 32.500 -0.102 0.000 1.333 593 K HN -0.056 nan 8.250 nan 0.000 0.434 594 E N 0.497 120.654 120.200 -0.072 0.000 2.416 594 E HA 0.188 4.538 4.350 -0.000 0.000 0.273 594 E C -1.169 175.377 176.600 -0.090 0.000 0.935 594 E CA -1.077 55.287 56.400 -0.061 0.000 0.784 594 E CB 1.948 31.627 29.700 -0.034 0.000 1.301 594 E HN 0.675 nan 8.360 nan 0.000 0.454 595 N N -0.163 118.490 118.700 -0.078 0.000 2.413 595 N HA 0.156 4.896 4.740 -0.000 0.000 0.266 595 N C 0.771 176.247 175.510 -0.057 0.000 1.238 595 N CA -0.741 52.257 53.050 -0.086 0.000 0.972 595 N CB 1.167 39.606 38.487 -0.079 0.000 1.210 595 N HN 0.393 nan 8.380 nan 0.000 0.547 596 R N -0.617 119.852 120.500 -0.051 0.000 2.226 596 R HA -0.123 4.216 4.340 -0.000 0.000 0.246 596 R C 0.726 177.007 176.300 -0.032 0.000 1.161 596 R CA 1.578 57.655 56.100 -0.038 0.000 0.997 596 R CB -0.182 30.099 30.300 -0.033 0.000 0.870 596 R HN 0.651 nan 8.270 nan 0.000 0.465 597 M N -0.803 118.778 119.600 -0.031 0.000 2.453 597 M HA 0.254 4.733 4.480 -0.000 0.000 0.239 597 M C 0.735 177.026 176.300 -0.015 0.000 1.151 597 M CA 0.582 55.867 55.300 -0.024 0.000 0.989 597 M CB 1.268 33.852 32.600 -0.028 0.000 1.548 597 M HN 0.311 nan 8.290 nan 0.000 0.479 598 G N 0.688 109.477 108.800 -0.017 0.000 2.153 598 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.252 598 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.252 598 G C -0.077 174.824 174.900 0.000 0.000 0.994 598 G CA 0.068 45.162 45.100 -0.011 0.000 0.698 598 G HN 0.541 nan 8.290 nan 0.000 0.521 599 N N 1.606 120.307 118.700 0.003 0.000 2.479 599 N HA 0.508 5.248 4.740 -0.000 0.000 0.285 599 N C -2.454 173.072 175.510 0.027 0.000 1.075 599 N CA -1.661 51.408 53.050 0.031 0.000 0.967 599 N CB 1.645 40.161 38.487 0.049 0.000 1.137 599 N HN 0.021 nan 8.380 nan 0.000 0.472 600 P HA -0.038 nan 4.420 nan 0.000 0.267 600 P C -0.266 177.072 177.300 0.063 0.000 1.205 600 P CA -0.271 62.851 63.100 0.037 0.000 0.765 600 P CB 0.416 32.141 31.700 0.043 0.000 0.828 601 V N 1.687 121.611 119.914 0.016 0.000 2.540 601 V HA 0.339 4.458 4.120 -0.000 0.000 0.297 601 V C 0.045 176.260 176.094 0.202 0.000 1.024 601 V CA 0.387 62.713 62.300 0.043 0.000 1.105 601 V CB -0.562 31.151 31.823 -0.184 0.000 0.938 601 V HN 0.537 nan 8.190 nan 0.000 0.482 602 S N 3.229 119.104 115.700 0.291 0.000 2.651 602 S HA 0.757 5.226 4.470 -0.000 0.000 0.279 602 S C -1.448 173.305 174.600 0.255 0.000 1.148 602 S CA -0.522 57.847 58.200 0.282 0.000 0.837 602 S CB 1.726 65.042 63.200 0.194 0.000 1.138 602 S HN 0.740 nan 8.310 nan 0.000 0.478 603 Y N 1.521 121.882 120.300 0.101 0.000 2.361 603 Y HA 0.411 4.960 4.550 -0.000 0.000 0.337 603 Y C 0.021 175.936 175.900 0.024 0.000 0.965 603 Y CA -0.449 57.681 58.100 0.049 0.000 1.091 603 Y CB 1.690 40.134 38.460 -0.027 0.000 1.182 603 Y HN 0.599 nan 8.280 nan 0.000 0.450 604 Q N 4.477 124.343 119.800 0.111 0.000 2.295 604 Q HA 0.438 4.778 4.340 -0.000 0.000 0.259 604 Q C -1.210 174.819 176.000 0.047 0.000 0.976 604 Q CA -0.290 55.530 55.803 0.028 0.000 0.923 604 Q CB 0.558 29.353 28.738 0.095 0.000 1.185 604 Q HN 0.681 nan 8.270 nan 0.000 0.410 605 I N 6.099 126.663 120.570 -0.009 0.000 2.304 605 I HA 0.259 4.428 4.170 -0.000 0.000 0.291 605 I C -0.339 175.657 176.117 -0.202 0.000 1.018 605 I CA -0.272 60.991 61.300 -0.061 0.000 1.260 605 I CB 0.909 38.882 38.000 -0.046 0.000 1.390 605 I HN 0.536 nan 8.210 nan 0.000 0.475 606 I N 8.349 128.787 120.570 -0.220 0.000 2.503 606 I HA 0.262 4.432 4.170 -0.000 0.000 0.277 606 I C -1.837 174.064 176.117 -0.359 0.000 1.078 606 I CA -1.575 59.507 61.300 -0.363 0.000 1.184 606 I CB 1.035 38.981 38.000 -0.089 0.000 1.353 606 I HN 0.339 nan 8.210 nan 0.000 0.490 607 P HA -0.179 nan 4.420 nan 0.000 0.218 607 P C -0.200 177.156 177.300 0.093 0.000 1.148 607 P CA 1.350 64.337 63.100 -0.188 0.000 0.822 607 P CB 0.039 31.621 31.700 -0.196 0.000 0.784 608 Y N -0.498 119.798 120.300 -0.006 0.000 2.526 608 Y HA 0.610 5.159 4.550 -0.000 0.000 0.328 608 Y C 0.264 176.285 175.900 0.203 0.000 0.995 608 Y CA -1.499 56.717 58.100 0.193 0.000 1.304 608 Y CB 0.567 39.214 38.460 0.311 0.000 1.096 608 Y HN -0.175 nan 8.280 nan 0.000 0.499 609 A N 3.525 126.154 122.820 -0.318 0.000 2.465 609 A HA 0.700 5.019 4.320 -0.000 0.000 0.255 609 A C 0.814 178.178 177.584 -0.366 0.000 1.274 609 A CA 0.362 52.239 52.037 -0.267 0.000 0.920 609 A CB -0.541 18.402 19.000 -0.095 0.000 1.033 609 A HN 1.414 nan 8.150 nan 0.000 0.516 610 G N -2.451 105.867 108.800 -0.803 0.000 2.392 610 G HA2 0.522 4.482 3.960 -0.000 0.000 0.677 610 G HA3 0.522 4.482 3.960 -0.000 0.000 0.677 610 G C -0.305 174.692 174.900 0.162 0.000 1.334 610 G CA -0.248 44.643 45.100 -0.347 0.000 0.961 610 G HN 1.787 nan 8.290 nan 0.000 0.616 611 G N -2.116 106.872 108.800 0.313 0.000 2.579 611 G HA2 0.735 4.694 3.960 -0.000 0.000 0.292 611 G HA3 0.735 4.694 3.960 -0.000 0.000 0.292 611 G C 0.499 175.534 174.900 0.225 0.000 1.484 611 G CA 0.950 46.208 45.100 0.264 0.000 0.813 611 G HN 1.973 nan 8.290 nan 0.000 0.515 612 T N -2.695 111.945 114.554 0.144 0.000 3.060 612 T HA 0.292 4.642 4.350 -0.000 0.000 0.249 612 T C 0.597 175.335 174.700 0.063 0.000 1.079 612 T CA 0.532 62.683 62.100 0.085 0.000 1.013 612 T CB -0.151 68.751 68.868 0.057 0.000 0.975 612 T HN 0.526 nan 8.240 nan 0.000 0.518 613 H N 1.253 120.338 119.070 0.025 0.000 2.573 613 H HA 0.460 5.016 4.556 -0.000 0.000 0.351 613 H C -2.536 172.807 175.328 0.025 0.000 1.163 613 H CA -2.833 53.199 56.048 -0.027 0.000 1.205 613 H CB 1.607 31.301 29.762 -0.113 0.000 1.605 613 H HN 0.062 nan 8.280 nan 0.000 0.525 614 P HA -0.092 nan 4.420 nan 0.000 0.265 614 P C -0.778 176.549 177.300 0.045 0.000 1.187 614 P CA 0.083 63.217 63.100 0.057 0.000 0.766 614 P CB 0.466 32.164 31.700 -0.002 0.000 0.820 615 V N 1.913 121.832 119.914 0.010 0.000 2.649 615 V HA 0.394 4.514 4.120 -0.000 0.000 0.292 615 V C 0.746 176.801 176.094 -0.066 0.000 1.055 615 V CA -0.565 61.694 62.300 -0.069 0.000 1.023 615 V CB 0.728 32.377 31.823 -0.290 0.000 0.992 615 V HN 0.646 nan 8.190 nan 0.000 0.480 616 A N 3.895 126.688 122.820 -0.045 0.000 2.316 616 A HA 0.402 4.722 4.320 -0.000 0.000 0.311 616 A C 1.023 178.587 177.584 -0.034 0.000 1.339 616 A CA -0.491 51.534 52.037 -0.019 0.000 0.960 616 A CB 0.123 19.136 19.000 0.022 0.000 1.152 616 A HN 0.858 nan 8.150 nan 0.000 0.547 617 K N 1.874 122.252 120.400 -0.036 0.000 2.305 617 K HA 0.119 4.439 4.320 -0.000 0.000 0.199 617 K C 0.981 177.591 176.600 0.017 0.000 1.047 617 K CA 1.084 57.355 56.287 -0.028 0.000 0.976 617 K CB 0.443 32.923 32.500 -0.033 0.000 0.765 617 K HN 0.828 nan 8.250 nan 0.000 0.474 618 G N -0.093 108.724 108.800 0.029 0.000 2.664 618 G HA2 0.485 4.445 3.960 -0.000 0.000 0.303 618 G HA3 0.485 4.445 3.960 -0.000 0.000 0.303 618 G C -1.736 173.209 174.900 0.075 0.000 1.243 618 G CA -0.357 44.780 45.100 0.061 0.000 0.826 618 G HN 0.078 nan 8.290 nan 0.000 0.498 619 A N -0.045 122.855 122.820 0.133 0.000 2.320 619 A HA 0.565 4.885 4.320 -0.000 0.000 0.287 619 A C 0.340 178.061 177.584 0.230 0.000 1.181 619 A CA -0.295 51.883 52.037 0.235 0.000 0.831 619 A CB 0.577 19.745 19.000 0.280 0.000 1.102 619 A HN 0.343 nan 8.150 nan 0.000 0.513 620 Q N 1.889 121.751 119.800 0.104 0.000 2.639 620 Q HA 0.213 4.553 4.340 -0.000 0.000 0.301 620 Q C -1.421 174.180 176.000 -0.665 0.000 1.029 620 Q CA 0.620 56.293 55.803 -0.217 0.000 0.936 620 Q CB -0.815 27.756 28.738 -0.278 0.000 1.354 620 Q HN 0.599 nan 8.270 nan 0.000 0.417 621 F N -0.552 119.425 119.950 0.046 0.000 2.565 621 F HA 0.542 5.069 4.527 -0.000 0.000 0.313 621 F C 0.274 176.038 175.800 -0.060 0.000 1.091 621 F CA -1.399 56.627 58.000 0.043 0.000 0.915 621 F CB 1.138 40.219 39.000 0.135 0.000 1.208 621 F HN -0.050 nan 8.300 nan 0.000 0.453 622 A N 3.563 126.408 122.820 0.042 0.000 2.462 622 A HA 0.373 4.692 4.320 -0.000 0.000 0.243 622 A C -1.679 175.677 177.584 -0.380 0.000 1.076 622 A CA -1.076 50.878 52.037 -0.138 0.000 0.773 622 A CB -0.142 18.807 19.000 -0.084 0.000 1.010 622 A HN 0.570 nan 8.150 nan 0.000 0.493 623 P HA -0.110 nan 4.420 nan 0.000 0.231 623 P C 0.244 177.144 177.300 -0.668 0.000 1.158 623 P CA 1.265 63.684 63.100 -1.135 0.000 0.763 623 P CB 0.035 31.274 31.700 -0.767 0.000 0.805 624 D N -1.794 118.374 120.400 -0.387 0.000 2.339 624 D HA -0.017 4.623 4.640 -0.000 0.000 0.217 624 D C 0.378 176.508 176.300 -0.282 0.000 1.050 624 D CA 0.112 53.981 54.000 -0.219 0.000 0.856 624 D CB -0.393 40.356 40.800 -0.085 0.000 0.922 624 D HN 0.062 nan 8.370 nan 0.000 0.518 625 E N 0.086 120.099 120.200 -0.311 0.000 2.392 625 E HA -0.027 4.323 4.350 -0.000 0.000 0.264 625 E C 0.295 176.747 176.600 -0.247 0.000 1.024 625 E CA -0.256 56.084 56.400 -0.100 0.000 0.903 625 E CB 0.780 30.564 29.700 0.140 0.000 0.963 625 E HN 0.301 nan 8.360 nan 0.000 0.432 626 W N 1.788 123.120 121.300 0.052 0.000 2.363 626 W HA -0.187 4.473 4.660 -0.000 0.000 0.296 626 W C 2.049 178.519 176.519 -0.082 0.000 1.212 626 W CA 0.010 57.392 57.345 0.061 0.000 1.260 626 W CB -0.119 29.210 29.460 -0.218 0.000 1.131 626 W HN 0.546 nan 8.180 nan 0.000 0.530 627 I N -0.485 120.085 120.570 -0.000 0.000 2.163 627 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 627 I C 2.260 178.230 176.117 -0.244 0.000 1.085 627 I CA 1.588 62.763 61.300 -0.210 0.000 1.347 627 I CB -1.150 36.541 38.000 -0.517 0.000 1.044 627 I HN 0.105 nan 8.210 nan 0.000 0.408 628 Y N 0.874 120.955 120.300 -0.365 0.000 2.097 628 Y HA -0.352 4.197 4.550 -0.000 0.000 0.282 628 Y C 2.674 178.423 175.900 -0.252 0.000 1.152 628 Y CA 2.478 60.381 58.100 -0.329 0.000 1.136 628 Y CB -0.716 37.550 38.460 -0.324 0.000 0.975 628 Y HN 0.416 nan 8.280 nan 0.000 0.498 629 H N -0.966 118.169 119.070 0.108 0.000 2.319 629 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 629 H C 2.326 177.677 175.328 0.039 0.000 1.092 629 H CA 1.919 57.999 56.048 0.053 0.000 1.302 629 H CB -0.144 29.571 29.762 -0.079 0.000 1.373 629 H HN 0.220 nan 8.280 nan 0.000 0.497 630 R N 0.371 120.988 120.500 0.195 0.000 2.092 630 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 630 R C 0.088 176.367 176.300 -0.035 0.000 1.119 630 R CA 0.802 56.962 56.100 0.099 0.000 0.970 630 R CB 0.150 30.512 30.300 0.103 0.000 0.864 630 R HN 0.214 nan 8.270 nan 0.000 0.440 631 L N 0.678 121.816 121.223 -0.141 0.000 2.445 631 L HA 0.293 4.633 4.340 -0.000 0.000 0.252 631 L C 0.491 177.125 176.870 -0.393 0.000 1.105 631 L CA -0.349 54.357 54.840 -0.224 0.000 0.943 631 L CB 1.854 43.728 42.059 -0.309 0.000 1.277 631 L HN -0.000 nan 8.230 nan 0.000 0.465 632 S N 1.145 116.698 115.700 -0.245 0.000 2.399 632 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 632 S C 1.734 176.297 174.600 -0.061 0.000 1.022 632 S CA 1.413 59.505 58.200 -0.182 0.000 0.983 632 S CB -0.240 62.960 63.200 0.001 0.000 0.803 632 S HN 0.759 nan 8.310 nan 0.000 0.480 633 F N 1.392 121.191 119.950 -0.251 0.000 2.236 633 F HA -0.059 4.468 4.527 -0.000 0.000 0.302 633 F C 1.920 177.788 175.800 0.113 0.000 1.073 633 F CA 0.914 58.783 58.000 -0.217 0.000 1.336 633 F CB -0.806 37.899 39.000 -0.492 0.000 1.040 633 F HN 0.071 nan 8.300 nan 0.000 0.507 634 M N 0.358 119.471 119.600 -0.811 0.000 2.279 634 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 634 M C 1.072 177.281 176.300 -0.151 0.000 1.062 634 M CA 1.943 56.884 55.300 -0.598 0.000 1.099 634 M CB -0.426 31.791 32.600 -0.639 0.000 1.394 634 M HN 0.211 nan 8.290 nan 0.000 0.426 635 D N -0.502 119.861 120.400 -0.063 0.000 2.369 635 D HA 0.061 4.700 4.640 -0.000 0.000 0.211 635 D C -0.331 176.017 176.300 0.081 0.000 1.077 635 D CA 0.387 54.406 54.000 0.031 0.000 0.842 635 D CB 0.583 41.381 40.800 -0.002 0.000 0.947 635 D HN -0.159 nan 8.370 nan 0.000 0.509 636 K N 0.259 120.754 120.400 0.158 0.000 2.270 636 K HA 0.340 4.660 4.320 -0.000 0.000 0.255 636 K C 0.300 176.998 176.600 0.163 0.000 0.936 636 K CA -0.436 55.823 56.287 -0.048 0.000 0.809 636 K CB 1.792 33.864 32.500 -0.713 0.000 1.131 636 K HN -0.159 nan 8.250 nan 0.000 0.427 637 Q N 0.506 120.371 119.800 0.109 0.000 2.302 637 Q HA 0.251 4.591 4.340 -0.000 0.000 0.202 637 Q C 0.037 176.179 176.000 0.237 0.000 0.936 637 Q CA 0.548 56.490 55.803 0.232 0.000 0.886 637 Q CB 0.595 29.486 28.738 0.255 0.000 0.986 637 Q HN 0.335 nan 8.270 nan 0.000 0.487 638 L N 0.059 121.324 121.223 0.071 0.000 2.381 638 L HA 0.501 4.840 4.340 -0.000 0.000 0.268 638 L C -1.877 174.950 176.870 -0.072 0.000 0.997 638 L CA -0.609 54.301 54.840 0.118 0.000 0.818 638 L CB 1.389 43.505 42.059 0.095 0.000 1.310 638 L HN 0.195 nan 8.230 nan 0.000 0.416 639 W N 3.420 124.855 121.300 0.224 0.000 3.217 639 W HA 0.650 5.310 4.660 -0.000 0.000 0.323 639 W C -1.213 175.513 176.519 0.346 0.000 1.216 639 W CA -0.589 56.892 57.345 0.227 0.000 1.194 639 W CB 1.893 31.439 29.460 0.143 0.000 1.397 639 W HN 0.065 nan 8.180 nan 0.000 0.537 640 V N 2.126 122.356 119.914 0.526 0.000 2.711 640 V HA 0.772 4.892 4.120 -0.000 0.000 0.304 640 V C -0.348 175.980 176.094 0.390 0.000 1.097 640 V CA -0.880 61.682 62.300 0.438 0.000 0.906 640 V CB 1.536 33.517 31.823 0.264 0.000 1.015 640 V HN 0.592 nan 8.190 nan 0.000 0.427 641 T N 1.290 116.101 114.554 0.428 0.000 2.901 641 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 641 T C -0.382 174.445 174.700 0.211 0.000 1.084 641 T CA -1.036 61.258 62.100 0.323 0.000 1.008 641 T CB 1.925 71.017 68.868 0.374 0.000 1.170 641 T HN 0.529 nan 8.240 nan 0.000 0.509 642 R N 0.357 120.910 120.500 0.088 0.000 2.594 642 R HA 0.233 4.573 4.340 -0.000 0.000 0.272 642 R C -0.507 175.653 176.300 -0.234 0.000 1.074 642 R CA -0.615 55.444 56.100 -0.069 0.000 1.105 642 R CB 0.218 30.446 30.300 -0.119 0.000 1.008 642 R HN 0.701 nan 8.270 nan 0.000 0.472 643 Y N 2.328 122.460 120.300 -0.280 0.000 2.544 643 Y HA 0.001 4.551 4.550 -0.000 0.000 0.330 643 Y C -0.684 174.958 175.900 -0.429 0.000 1.136 643 Y CA 0.371 58.328 58.100 -0.238 0.000 1.417 643 Y CB 0.324 38.711 38.460 -0.121 0.000 1.229 643 Y HN 0.508 nan 8.280 nan 0.000 0.532 644 H N 7.180 125.785 119.070 -0.775 0.000 3.096 644 H HA 0.202 4.758 4.556 -0.000 0.000 0.335 644 H C -2.009 172.856 175.328 -0.773 0.000 0.990 644 H CA -1.909 53.717 56.048 -0.704 0.000 1.393 644 H CB 1.611 31.161 29.762 -0.355 0.000 1.742 644 H HN 0.435 nan 8.280 nan 0.000 0.501 645 P HA -0.128 nan 4.420 nan 0.000 0.221 645 P C 1.373 178.547 177.300 -0.210 0.000 1.145 645 P CA 1.274 64.175 63.100 -0.331 0.000 0.795 645 P CB 0.243 31.857 31.700 -0.143 0.000 0.775 646 G N -0.617 108.060 108.800 -0.204 0.000 2.939 646 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.210 646 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.210 646 G C 0.324 175.078 174.900 -0.243 0.000 1.160 646 G CA -0.077 44.926 45.100 -0.162 0.000 0.770 646 G HN 0.290 nan 8.290 nan 0.000 0.543 647 E N 0.374 120.348 120.200 -0.378 0.000 2.063 647 E HA 0.401 4.751 4.350 -0.000 0.000 0.265 647 E C 0.330 176.698 176.600 -0.387 0.000 0.919 647 E CA -0.335 55.636 56.400 -0.716 0.000 0.756 647 E CB 1.004 29.995 29.700 -1.182 0.000 1.120 647 E HN 0.238 nan 8.360 nan 0.000 0.414 648 R N 1.792 122.042 120.500 -0.417 0.000 2.544 648 R HA 0.208 4.548 4.340 -0.000 0.000 0.303 648 R C -0.427 175.571 176.300 -0.504 0.000 0.939 648 R CA -0.063 55.688 56.100 -0.582 0.000 1.102 648 R CB 0.721 30.368 30.300 -1.087 0.000 1.440 648 R HN 0.226 nan 8.270 nan 0.000 0.532 649 F N 1.988 122.167 119.950 0.381 0.000 2.493 649 F HA 0.394 4.920 4.527 -0.000 0.000 0.329 649 F C -1.638 174.157 175.800 -0.008 0.000 1.126 649 F CA -3.048 55.057 58.000 0.175 0.000 0.937 649 F CB 1.500 40.506 39.000 0.010 0.000 1.146 649 F HN -0.281 nan 8.300 nan 0.000 0.442 650 P HA -0.197 nan 4.420 nan 0.000 0.218 650 P C 0.834 177.840 177.300 -0.490 0.000 1.149 650 P CA 1.712 64.446 63.100 -0.611 0.000 0.817 650 P CB 0.245 31.274 31.700 -1.118 0.000 0.785 651 E N 0.379 120.403 120.200 -0.293 0.000 2.479 651 E HA 0.174 4.524 4.350 -0.000 0.000 0.193 651 E C 0.907 177.445 176.600 -0.103 0.000 1.049 651 E CA 0.599 56.953 56.400 -0.077 0.000 0.870 651 E CB -0.514 29.196 29.700 0.018 0.000 0.944 651 E HN 0.192 nan 8.360 nan 0.000 0.492 652 G N 1.711 110.454 108.800 -0.095 0.000 2.707 652 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.686 652 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.686 652 G C 0.115 175.024 174.900 0.014 0.000 1.315 652 G CA -0.058 45.019 45.100 -0.039 0.000 0.832 652 G HN 0.148 nan 8.290 nan 0.000 0.573 653 K N -0.873 119.531 120.400 0.006 0.000 2.002 653 K HA -0.027 4.293 4.320 -0.000 0.000 0.209 653 K C 0.504 176.741 176.600 -0.606 0.000 1.048 653 K CA 1.669 57.770 56.287 -0.310 0.000 0.930 653 K CB -0.140 32.137 32.500 -0.371 0.000 0.714 653 K HN 0.466 nan 8.250 nan 0.000 0.438 654 Y N 0.719 120.981 120.300 -0.062 0.000 2.960 654 Y HA 0.237 4.787 4.550 -0.000 0.000 0.343 654 Y C -1.926 173.925 175.900 -0.083 0.000 1.106 654 Y CA -2.533 55.521 58.100 -0.077 0.000 1.221 654 Y CB 1.135 39.562 38.460 -0.054 0.000 1.232 654 Y HN 0.225 nan 8.280 nan 0.000 0.577 655 P HA -0.062 nan 4.420 nan 0.000 0.236 655 P C 0.141 177.429 177.300 -0.020 0.000 1.177 655 P CA 0.473 63.556 63.100 -0.027 0.000 0.773 655 P CB 0.439 32.116 31.700 -0.038 0.000 0.878 656 N N 1.873 120.572 118.700 -0.001 0.000 2.452 656 N HA -0.008 4.731 4.740 -0.000 0.000 0.266 656 N C 0.318 175.758 175.510 -0.117 0.000 1.209 656 N CA 0.187 53.207 53.050 -0.050 0.000 0.929 656 N CB -0.390 38.072 38.487 -0.041 0.000 1.063 656 N HN -0.095 nan 8.380 nan 0.000 0.472 657 R N 0.317 120.721 120.500 -0.160 0.000 3.641 657 R HA -0.174 4.165 4.340 -0.000 0.000 0.286 657 R C -0.325 175.851 176.300 -0.208 0.000 1.153 657 R CA 0.804 56.777 56.100 -0.211 0.000 0.775 657 R CB -2.778 27.230 30.300 -0.486 0.000 1.215 657 R HN 0.731 nan 8.270 nan 0.000 0.474 658 S N -0.588 115.021 115.700 -0.152 0.000 2.560 658 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 658 S C 1.543 175.954 174.600 -0.315 0.000 1.327 658 S CA 0.136 58.220 58.200 -0.194 0.000 1.055 658 S CB 1.592 64.697 63.200 -0.158 0.000 0.868 658 S HN 0.353 nan 8.310 nan 0.000 0.506 659 T N -2.301 112.040 114.554 -0.356 0.000 3.044 659 T HA 0.171 4.520 4.350 -0.000 0.000 0.250 659 T C 0.526 175.344 174.700 0.197 0.000 1.081 659 T CA 0.365 62.153 62.100 -0.522 0.000 1.040 659 T CB -0.526 67.941 68.868 -0.669 0.000 0.962 659 T HN 0.986 nan 8.240 nan 0.000 0.506 660 H N -1.419 117.667 119.070 0.026 0.000 3.014 660 H HA 0.463 5.019 4.556 -0.000 0.000 0.337 660 H C -1.962 173.395 175.328 0.048 0.000 1.320 660 H CA -1.046 55.071 56.048 0.115 0.000 1.128 660 H CB 0.586 30.399 29.762 0.085 0.000 1.862 660 H HN -0.036 nan 8.280 nan 0.000 0.536 661 D N 1.218 121.636 120.400 0.030 0.000 2.382 661 D HA 0.051 4.691 4.640 -0.000 0.000 0.259 661 D C 0.767 176.966 176.300 -0.168 0.000 1.224 661 D CA 0.548 54.493 54.000 -0.091 0.000 0.894 661 D CB 0.787 41.559 40.800 -0.047 0.000 1.127 661 D HN 0.649 nan 8.370 nan 0.000 0.487 662 T N 0.268 114.668 114.554 -0.256 0.000 3.040 662 T HA 0.350 4.699 4.350 -0.000 0.000 0.266 662 T C 1.023 175.514 174.700 -0.348 0.000 1.005 662 T CA -0.111 61.855 62.100 -0.223 0.000 0.906 662 T CB 0.758 69.517 68.868 -0.181 0.000 1.082 662 T HN 0.254 nan 8.240 nan 0.000 0.531 663 G N 1.506 109.992 108.800 -0.523 0.000 3.329 663 G HA2 0.463 4.423 3.960 -0.000 0.000 0.180 663 G HA3 0.463 4.423 3.960 -0.000 0.000 0.180 663 G C 0.864 174.803 174.900 -1.603 0.000 1.640 663 G CA -0.581 43.942 45.100 -0.962 0.000 1.018 663 G HN 0.278 nan 8.290 nan 0.000 0.581 664 L N 0.871 121.328 121.223 -1.277 0.000 2.127 664 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 664 L C 3.111 179.578 176.870 -0.672 0.000 1.089 664 L CA 1.157 55.290 54.840 -1.179 0.000 0.757 664 L CB -0.556 40.545 42.059 -1.597 0.000 0.899 664 L HN 0.572 nan 8.230 nan 0.000 0.434 665 G N -1.030 107.479 108.800 -0.486 0.000 2.440 665 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.218 665 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.218 665 G C 1.496 176.333 174.900 -0.105 0.000 1.154 665 G CA 0.814 45.820 45.100 -0.157 0.000 0.767 665 G HN 0.420 nan 8.290 nan 0.000 0.552 666 Q N -1.060 118.611 119.800 -0.215 0.000 2.163 666 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 666 Q C 2.307 178.341 176.000 0.057 0.000 0.954 666 Q CA 0.642 56.405 55.803 -0.067 0.000 0.851 666 Q CB -0.131 28.566 28.738 -0.069 0.000 0.928 666 Q HN 0.524 nan 8.270 nan 0.000 0.459 667 Y N 0.773 121.024 120.300 -0.082 0.000 2.224 667 Y HA -0.133 4.417 4.550 -0.000 0.000 0.289 667 Y C 2.625 178.544 175.900 0.032 0.000 1.146 667 Y CA 1.378 59.448 58.100 -0.049 0.000 1.182 667 Y CB -0.762 37.597 38.460 -0.168 0.000 0.983 667 Y HN 0.282 nan 8.280 nan 0.000 0.524 668 S N -1.120 114.685 115.700 0.175 0.000 2.535 668 S HA 0.052 4.522 4.470 -0.000 0.000 0.214 668 S C 1.784 176.479 174.600 0.159 0.000 0.980 668 S CA -0.170 58.149 58.200 0.198 0.000 0.907 668 S CB -0.020 63.343 63.200 0.272 0.000 0.790 668 S HN 0.272 nan 8.310 nan 0.000 0.510 669 K N 1.476 121.954 120.400 0.129 0.000 2.127 669 K HA -0.226 4.093 4.320 -0.000 0.000 0.212 669 K C 0.678 177.337 176.600 0.098 0.000 1.050 669 K CA 2.073 58.422 56.287 0.104 0.000 0.929 669 K CB -0.309 32.242 32.500 0.085 0.000 0.715 669 K HN 0.347 nan 8.250 nan 0.000 0.457 670 D N -0.045 120.419 120.400 0.106 0.000 2.347 670 D HA -0.096 4.544 4.640 -0.000 0.000 0.215 670 D C -0.002 176.355 176.300 0.095 0.000 0.976 670 D CA 0.324 54.380 54.000 0.094 0.000 0.884 670 D CB -0.451 40.407 40.800 0.096 0.000 0.915 670 D HN 0.349 nan 8.370 nan 0.000 0.526 671 N N 1.263 120.029 118.700 0.109 0.000 2.667 671 N HA -0.214 4.526 4.740 -0.000 0.000 0.263 671 N C -0.895 174.673 175.510 0.097 0.000 1.038 671 N CA 0.057 53.169 53.050 0.103 0.000 0.749 671 N CB -0.390 38.148 38.487 0.084 0.000 0.892 671 N HN 0.307 nan 8.380 nan 0.000 0.546 672 E N 0.248 120.516 120.200 0.113 0.000 2.314 672 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 672 E C 0.268 176.926 176.600 0.096 0.000 1.093 672 E CA -0.619 55.843 56.400 0.104 0.000 0.908 672 E CB 0.915 30.688 29.700 0.121 0.000 1.091 672 E HN 0.342 nan 8.360 nan 0.000 0.425 673 S N 0.728 116.478 115.700 0.083 0.000 2.564 673 S HA 0.088 4.558 4.470 -0.000 0.000 0.278 673 S C 0.312 174.958 174.600 0.077 0.000 1.333 673 S CA -0.394 57.851 58.200 0.074 0.000 1.048 673 S CB 0.163 63.401 63.200 0.063 0.000 0.900 673 S HN 0.473 nan 8.310 nan 0.000 0.505 674 L N 3.010 124.279 121.223 0.076 0.000 2.910 674 L HA 0.355 4.695 4.340 -0.000 0.000 0.252 674 L C 0.033 176.941 176.870 0.062 0.000 1.195 674 L CA -0.192 54.694 54.840 0.077 0.000 1.003 674 L CB 0.126 42.239 42.059 0.090 0.000 1.328 674 L HN 0.612 nan 8.230 nan 0.000 0.540 675 D N 1.352 121.785 120.400 0.056 0.000 2.339 675 D HA 0.042 4.682 4.640 -0.000 0.000 0.241 675 D C 0.685 177.009 176.300 0.041 0.000 1.183 675 D CA 0.016 54.044 54.000 0.047 0.000 0.859 675 D CB 0.277 41.103 40.800 0.044 0.000 1.067 675 D HN 0.138 nan 8.370 nan 0.000 0.484 676 N N 2.970 121.692 118.700 0.036 0.000 2.669 676 N HA -0.250 4.490 4.740 -0.000 0.000 0.266 676 N C -1.311 174.217 175.510 0.030 0.000 1.024 676 N CA 0.629 53.697 53.050 0.029 0.000 0.766 676 N CB -0.383 38.118 38.487 0.024 0.000 0.898 676 N HN 0.435 nan 8.380 nan 0.000 0.548 677 T N -0.111 114.464 114.554 0.035 0.000 2.816 677 T HA 0.133 4.483 4.350 -0.000 0.000 0.299 677 T C -1.648 173.075 174.700 0.037 0.000 1.230 677 T CA -0.615 61.506 62.100 0.036 0.000 1.007 677 T CB 1.494 70.389 68.868 0.045 0.000 1.289 677 T HN 0.231 nan 8.240 nan 0.000 0.508 678 D N 1.569 121.991 120.400 0.036 0.000 2.342 678 D HA 0.508 5.148 4.640 -0.000 0.000 0.260 678 D C -0.188 176.155 176.300 0.071 0.000 1.278 678 D CA -0.011 54.010 54.000 0.035 0.000 0.910 678 D CB 0.405 41.208 40.800 0.006 0.000 1.079 678 D HN 0.716 nan 8.370 nan 0.000 0.496 679 A N 3.154 126.018 122.820 0.073 0.000 2.311 679 A HA 0.675 4.995 4.320 -0.000 0.000 0.334 679 A C -0.793 176.856 177.584 0.108 0.000 1.139 679 A CA -0.672 51.428 52.037 0.105 0.000 0.830 679 A CB 1.511 20.573 19.000 0.103 0.000 1.234 679 A HN 0.371 nan 8.150 nan 0.000 0.483 680 V N 1.871 121.873 119.914 0.147 0.000 2.483 680 V HA 0.379 4.499 4.120 -0.000 0.000 0.297 680 V C -0.337 175.817 176.094 0.101 0.000 1.027 680 V CA -0.538 61.802 62.300 0.067 0.000 0.855 680 V CB 1.447 33.302 31.823 0.054 0.000 0.995 680 V HN 0.667 nan 8.190 nan 0.000 0.424 681 V N 3.862 123.773 119.914 -0.004 0.000 2.567 681 V HA 0.478 4.598 4.120 -0.000 0.000 0.289 681 V C -0.904 175.197 176.094 0.011 0.000 1.049 681 V CA -0.443 61.930 62.300 0.121 0.000 0.969 681 V CB 1.488 33.366 31.823 0.091 0.000 0.995 681 V HN 0.904 nan 8.190 nan 0.000 0.471 682 W N 4.329 125.768 121.300 0.231 0.000 2.619 682 W HA 0.738 5.398 4.660 -0.000 0.000 0.327 682 W C -0.399 176.311 176.519 0.318 0.000 1.027 682 W CA -0.712 56.776 57.345 0.240 0.000 1.233 682 W CB 1.207 30.767 29.460 0.166 0.000 1.370 682 W HN 0.279 nan 8.180 nan 0.000 0.453 683 M N 3.203 123.087 119.600 0.474 0.000 2.167 683 M HA 0.420 4.900 4.480 -0.000 0.000 0.333 683 M C -0.333 176.235 176.300 0.448 0.000 1.030 683 M CA -0.381 55.168 55.300 0.415 0.000 0.963 683 M CB 1.806 34.593 32.600 0.311 0.000 1.589 683 M HN 0.226 nan 8.290 nan 0.000 0.431 684 T N 1.743 116.570 114.554 0.454 0.000 2.767 684 T HA 0.474 4.824 4.350 -0.000 0.000 0.284 684 T C -0.232 174.689 174.700 0.369 0.000 0.973 684 T CA -0.285 62.074 62.100 0.432 0.000 0.996 684 T CB 1.345 70.521 68.868 0.513 0.000 0.927 684 T HN 0.688 nan 8.240 nan 0.000 0.456 685 T N 1.783 116.569 114.554 0.385 0.000 2.909 685 T HA 0.803 5.153 4.350 -0.000 0.000 0.299 685 T C -0.367 174.566 174.700 0.388 0.000 1.073 685 T CA -0.295 62.038 62.100 0.388 0.000 0.999 685 T CB 1.436 70.570 68.868 0.444 0.000 1.098 685 T HN 0.827 nan 8.240 nan 0.000 0.477 686 G N 1.039 110.018 108.800 0.298 0.000 2.663 686 G HA2 0.715 4.675 3.960 -0.000 0.000 0.299 686 G HA3 0.715 4.675 3.960 -0.000 0.000 0.299 686 G C -0.814 174.205 174.900 0.199 0.000 1.372 686 G CA -0.100 45.149 45.100 0.247 0.000 0.781 686 G HN 1.071 nan 8.290 nan 0.000 0.491 687 T N -3.002 111.655 114.554 0.171 0.000 2.883 687 T HA 0.696 5.046 4.350 -0.000 0.000 0.301 687 T C -0.961 173.768 174.700 0.048 0.000 1.158 687 T CA -0.561 61.616 62.100 0.130 0.000 1.007 687 T CB 1.992 70.978 68.868 0.196 0.000 1.186 687 T HN 0.552 nan 8.240 nan 0.000 0.499 688 T N 2.086 116.629 114.554 -0.018 0.000 2.821 688 T HA 0.337 4.687 4.350 -0.000 0.000 0.307 688 T C -0.707 173.898 174.700 -0.158 0.000 1.034 688 T CA -0.436 61.610 62.100 -0.090 0.000 0.953 688 T CB -0.111 68.707 68.868 -0.083 0.000 0.968 688 T HN 0.788 nan 8.240 nan 0.000 0.462 689 H N 3.391 122.213 119.070 -0.413 0.000 2.690 689 H HA 0.512 5.068 4.556 -0.000 0.000 0.289 689 H C -0.822 174.235 175.328 -0.452 0.000 1.089 689 H CA -0.665 55.024 56.048 -0.598 0.000 1.299 689 H CB 0.386 29.731 29.762 -0.694 0.000 1.405 689 H HN 0.286 nan 8.280 nan 0.000 0.463 690 V N 5.100 124.979 119.914 -0.058 0.000 2.370 690 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 690 V C 0.493 176.617 176.094 0.048 0.000 1.023 690 V CA -0.619 61.639 62.300 -0.071 0.000 0.857 690 V CB 0.872 32.653 31.823 -0.071 0.000 0.985 690 V HN 0.914 nan 8.190 nan 0.000 0.443 691 A N 6.454 129.245 122.820 -0.050 0.000 2.346 691 A HA 0.741 5.061 4.320 -0.000 0.000 0.252 691 A C 0.277 177.899 177.584 0.064 0.000 1.089 691 A CA -0.108 51.950 52.037 0.035 0.000 0.797 691 A CB 0.469 19.419 19.000 -0.084 0.000 1.047 691 A HN 0.863 nan 8.150 nan 0.000 0.494 692 R N -0.683 119.886 120.500 0.116 0.000 2.774 692 R HA 0.534 4.874 4.340 -0.000 0.000 0.272 692 R C 0.826 177.184 176.300 0.097 0.000 1.000 692 R CA -0.216 55.937 56.100 0.088 0.000 0.906 692 R CB 1.836 32.202 30.300 0.110 0.000 1.227 692 R HN 0.744 nan 8.270 nan 0.000 0.468 693 A N 0.954 123.817 122.820 0.071 0.000 1.972 693 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 693 A C 1.298 178.968 177.584 0.142 0.000 1.169 693 A CA 1.533 53.628 52.037 0.096 0.000 0.635 693 A CB -0.276 18.756 19.000 0.053 0.000 0.810 693 A HN 0.758 nan 8.150 nan 0.000 0.446 694 E N 0.269 120.537 120.200 0.113 0.000 2.409 694 E HA -0.095 4.255 4.350 -0.000 0.000 0.198 694 E C 1.156 177.825 176.600 0.116 0.000 1.024 694 E CA 1.041 57.501 56.400 0.099 0.000 0.861 694 E CB -0.078 29.666 29.700 0.073 0.000 0.788 694 E HN 0.788 nan 8.360 nan 0.000 0.521 695 E N -0.933 119.371 120.200 0.174 0.000 2.501 695 E HA 0.050 4.400 4.350 -0.000 0.000 0.201 695 E C -0.376 176.392 176.600 0.280 0.000 1.016 695 E CA -0.265 56.254 56.400 0.198 0.000 0.920 695 E CB 0.482 30.343 29.700 0.267 0.000 1.023 695 E HN 0.189 nan 8.360 nan 0.000 0.474 696 W N 2.524 123.836 121.300 0.020 0.000 2.600 696 W HA 0.257 4.917 4.660 -0.000 0.000 0.325 696 W C -2.321 174.208 176.519 0.018 0.000 1.034 696 W CA -2.107 55.245 57.345 0.011 0.000 1.226 696 W CB 1.730 31.194 29.460 0.007 0.000 1.379 696 W HN -0.102 nan 8.180 nan 0.000 0.466 697 P HA 0.141 nan 4.420 nan 0.000 0.249 697 P C -0.131 176.829 177.300 -0.566 0.000 1.229 697 P CA 0.609 63.063 63.100 -1.077 0.000 0.788 697 P CB 1.422 32.535 31.700 -0.979 0.000 1.072 698 I N -0.332 120.078 120.570 -0.267 0.000 2.647 698 I HA 0.329 4.499 4.170 -0.000 0.000 0.295 698 I C -0.665 175.385 176.117 -0.112 0.000 1.078 698 I CA -1.620 59.537 61.300 -0.239 0.000 1.048 698 I CB 2.438 40.293 38.000 -0.242 0.000 1.239 698 I HN -0.327 nan 8.210 nan 0.000 0.421 699 M N 8.558 128.087 119.600 -0.118 0.000 2.143 699 M HA 0.326 4.805 4.480 -0.000 0.000 0.348 699 M C -2.341 173.897 176.300 -0.104 0.000 1.375 699 M CA -1.480 53.787 55.300 -0.056 0.000 1.124 699 M CB 0.460 33.036 32.600 -0.040 0.000 1.669 699 M HN 0.237 nan 8.290 nan 0.000 0.469 700 P HA -0.018 nan 4.420 nan 0.000 0.261 700 P C -0.602 176.602 177.300 -0.161 0.000 1.183 700 P CA 0.231 63.279 63.100 -0.088 0.000 0.761 700 P CB 0.199 31.871 31.700 -0.047 0.000 0.785 701 T N 4.033 118.478 114.554 -0.181 0.000 2.905 701 T HA 0.031 4.381 4.350 -0.000 0.000 0.299 701 T C 0.282 174.764 174.700 -0.364 0.000 1.024 701 T CA 0.154 62.058 62.100 -0.327 0.000 1.151 701 T CB -0.009 68.656 68.868 -0.339 0.000 0.987 701 T HN 0.345 nan 8.240 nan 0.000 0.535 702 E N 1.982 121.851 120.200 -0.552 0.000 2.199 702 E HA 0.378 4.728 4.350 -0.000 0.000 0.269 702 E C -0.915 175.366 176.600 -0.532 0.000 0.899 702 E CA -0.510 55.595 56.400 -0.493 0.000 0.772 702 E CB 1.803 31.053 29.700 -0.749 0.000 1.155 702 E HN 0.622 nan 8.360 nan 0.000 0.408 703 W N 1.113 122.259 121.300 -0.257 0.000 2.799 703 W HA 0.523 5.183 4.660 -0.000 0.000 0.349 703 W C -0.347 175.917 176.519 -0.426 0.000 1.100 703 W CA -0.816 56.329 57.345 -0.333 0.000 1.174 703 W CB 1.536 30.824 29.460 -0.287 0.000 1.427 703 W HN 0.239 nan 8.180 nan 0.000 0.547 704 V N -0.731 119.018 119.914 -0.275 0.000 2.876 704 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 704 V C -0.926 174.844 176.094 -0.541 0.000 1.085 704 V CA -0.862 61.259 62.300 -0.298 0.000 0.945 704 V CB 1.884 33.725 31.823 0.029 0.000 1.017 704 V HN 0.663 nan 8.190 nan 0.000 0.428 705 H N 2.432 121.522 119.070 0.032 0.000 2.637 705 H HA 0.812 5.368 4.556 -0.000 0.000 0.363 705 H C -0.375 174.904 175.328 -0.082 0.000 1.131 705 H CA 0.035 56.042 56.048 -0.068 0.000 1.183 705 H CB 2.331 32.024 29.762 -0.114 0.000 1.637 705 H HN 1.051 nan 8.280 nan 0.000 0.531 706 T N 0.162 114.695 114.554 -0.035 0.000 2.896 706 T HA 0.625 4.975 4.350 -0.000 0.000 0.297 706 T C -1.121 173.492 174.700 -0.145 0.000 1.108 706 T CA -0.804 61.242 62.100 -0.091 0.000 1.004 706 T CB 2.085 70.887 68.868 -0.111 0.000 1.159 706 T HN 0.272 nan 8.240 nan 0.000 0.499 707 L N 0.847 121.988 121.223 -0.137 0.000 2.465 707 L HA 0.725 5.065 4.340 -0.000 0.000 0.257 707 L C -1.805 175.008 176.870 -0.095 0.000 0.988 707 L CA -0.890 53.870 54.840 -0.135 0.000 0.827 707 L CB 2.277 44.270 42.059 -0.109 0.000 1.397 707 L HN 0.841 nan 8.230 nan 0.000 0.410 708 L N 3.608 124.797 121.223 -0.056 0.000 2.415 708 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 708 L C -0.868 176.109 176.870 0.179 0.000 0.984 708 L CA -0.655 54.238 54.840 0.088 0.000 0.853 708 L CB 1.536 43.632 42.059 0.061 0.000 1.215 708 L HN 0.516 nan 8.230 nan 0.000 0.419 709 K N 3.975 124.441 120.400 0.111 0.000 2.259 709 K HA 0.519 4.839 4.320 -0.000 0.000 0.252 709 K C -2.613 173.739 176.600 -0.414 0.000 0.936 709 K CA -1.929 54.328 56.287 -0.051 0.000 0.810 709 K CB 1.967 34.463 32.500 -0.006 0.000 1.143 709 K HN 0.191 nan 8.250 nan 0.000 0.427 710 P HA -0.102 nan 4.420 nan 0.000 0.264 710 P C -0.987 176.161 177.300 -0.252 0.000 1.193 710 P CA 0.087 62.613 63.100 -0.956 0.000 0.763 710 P CB 0.421 31.902 31.700 -0.365 0.000 0.810 711 W N 5.878 126.987 121.300 -0.318 0.000 2.466 711 W HA 0.165 4.825 4.660 -0.000 0.000 0.303 711 W C -0.415 176.076 176.519 -0.046 0.000 0.999 711 W CA -0.355 56.920 57.345 -0.116 0.000 1.437 711 W CB -0.046 29.363 29.460 -0.086 0.000 1.274 711 W HN 0.523 nan 8.180 nan 0.000 0.417 712 N N 3.359 122.015 118.700 -0.073 0.000 2.741 712 N HA -0.321 4.418 4.740 -0.000 0.000 0.251 712 N C 0.377 175.888 175.510 0.002 0.000 1.112 712 N CA 1.529 54.562 53.050 -0.028 0.000 0.750 712 N CB -2.016 36.485 38.487 0.023 0.000 1.119 712 N HN 0.518 nan 8.380 nan 0.000 0.561 713 F N 0.088 119.911 119.950 -0.212 0.000 2.187 713 F HA 0.179 4.706 4.527 -0.000 0.000 0.295 713 F C 0.875 176.336 175.800 -0.566 0.000 1.091 713 F CA 0.922 58.667 58.000 -0.425 0.000 1.308 713 F CB 0.160 38.766 39.000 -0.658 0.000 1.030 713 F HN -0.026 nan 8.300 nan 0.000 0.487 714 F N 0.289 120.245 119.950 0.009 0.000 2.410 714 F HA 0.256 4.783 4.527 -0.000 0.000 0.324 714 F C 1.269 177.014 175.800 -0.092 0.000 1.093 714 F CA -0.771 57.187 58.000 -0.069 0.000 1.028 714 F CB 0.226 39.186 39.000 -0.068 0.000 1.309 714 F HN -0.271 nan 8.300 nan 0.000 0.499 715 D N -0.443 120.040 120.400 0.137 0.000 2.369 715 D HA 0.107 4.747 4.640 -0.000 0.000 0.211 715 D C -0.092 176.212 176.300 0.006 0.000 1.077 715 D CA 0.491 54.508 54.000 0.029 0.000 0.842 715 D CB 0.399 41.203 40.800 0.008 0.000 0.947 715 D HN 0.730 nan 8.370 nan 0.000 0.509 716 E N -1.930 118.282 120.200 0.019 0.000 2.368 716 E HA 0.141 4.491 4.350 -0.000 0.000 0.267 716 E C -1.176 175.379 176.600 -0.075 0.000 1.216 716 E CA -0.831 55.544 56.400 -0.042 0.000 0.891 716 E CB 0.042 29.711 29.700 -0.051 0.000 1.524 716 E HN -0.287 nan 8.360 nan 0.000 0.445 717 T N 2.660 117.150 114.554 -0.107 0.000 2.704 717 T HA 0.026 4.375 4.350 -0.000 0.000 0.271 717 T C -1.795 172.813 174.700 -0.154 0.000 1.000 717 T CA -0.219 61.808 62.100 -0.120 0.000 1.216 717 T CB -0.060 68.725 68.868 -0.139 0.000 0.961 717 T HN 0.309 nan 8.240 nan 0.000 0.515 718 P HA -0.015 nan 4.420 nan 0.000 0.226 718 P C 1.386 178.559 177.300 -0.211 0.000 1.153 718 P CA 0.654 63.467 63.100 -0.478 0.000 0.777 718 P CB -0.005 31.023 31.700 -1.119 0.000 0.794 719 T N -4.599 109.917 114.554 -0.065 0.000 3.122 719 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 719 T C 1.481 176.239 174.700 0.097 0.000 1.067 719 T CA -0.120 61.994 62.100 0.023 0.000 0.966 719 T CB -0.889 68.007 68.868 0.047 0.000 1.002 719 T HN -0.006 nan 8.240 nan 0.000 0.542 720 L N 1.086 122.353 121.223 0.074 0.000 2.093 720 L HA 0.288 4.628 4.340 -0.000 0.000 0.208 720 L C 1.687 178.581 176.870 0.040 0.000 1.085 720 L CA 1.169 56.056 54.840 0.078 0.000 0.755 720 L CB -0.890 41.171 42.059 0.003 0.000 0.904 720 L HN 0.750 nan 8.230 nan 0.000 0.435 721 G N -1.309 107.495 108.800 0.008 0.000 2.525 721 G HA2 0.035 3.994 3.960 -0.000 0.000 0.685 721 G HA3 0.035 3.994 3.960 -0.000 0.000 0.685 721 G C -0.598 174.299 174.900 -0.006 0.000 1.290 721 G CA -0.604 44.493 45.100 -0.005 0.000 0.915 721 G HN 0.369 nan 8.290 nan 0.000 0.548 722 A N -0.331 122.484 122.820 -0.007 0.000 2.425 722 A HA 0.630 4.950 4.320 -0.000 0.000 0.249 722 A C 0.848 178.429 177.584 -0.004 0.000 1.084 722 A CA -0.126 51.908 52.037 -0.004 0.000 0.781 722 A CB 0.288 19.285 19.000 -0.006 0.000 1.019 722 A HN 1.234 nan 8.150 nan 0.000 0.490 723 L N 2.795 124.016 121.223 -0.004 0.000 2.410 723 L HA 0.097 4.436 4.340 -0.000 0.000 0.273 723 L C 0.897 177.764 176.870 -0.005 0.000 1.144 723 L CA 0.006 54.843 54.840 -0.005 0.000 0.863 723 L CB 0.610 42.665 42.059 -0.006 0.000 1.140 723 L HN 0.845 nan 8.230 nan 0.000 0.463 724 K N 0.000 120.397 120.400 -0.005 0.000 2.780 724 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 724 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 724 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 724 K HN 0.000 nan 8.250 nan 0.000 0.543