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 2eaa_1_B DATA FIRST_RESID 13 DATA SEQUENCE SDSRGENNPF YFSSDRRFHT LFTNQYGHLR ILHRFDQRSK QIQNLENYRV DATA SEQUENCE VEFKSKPNTL LLPHHADADF LLVVLNGRAI LTLVNPDSRD SYILEQGHAQ DATA SEQUENCE KIPAGTTFFL VNPDDNENLR IIKLAIPVNN PHRFQDFFLS STEAQQSYLR DATA SEQUENCE GFSKNILEAS FDSDFKEINR VLFGEXXXXX XXEESREEGV IVELKREQIQ DATA SEQUENCE ELMKHAKSSS RKELSSQDEP FNLRNSKPIY SNKFGRWYEM TPEKNPQLKD DATA SEQUENCE LDVFISSVDM KEGALLLPHY NSKAIVIMVI NEGEAKIELV GLSDXXXXXX DATA SEQUENCE XXXXLEVQRY RAELSEDDVF VIPAAYPVAI NATSNLNFFA FGINAENNQR DATA SEQUENCE NFLAGGKDNV MSEIPTEVLE VSFPASGKKV EKLIKKQSES HFVDAQP 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.534 174.600 -0.109 0.000 1.055 13 S CA 0.000 58.156 58.200 -0.073 0.000 1.107 13 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 14 D N 1.538 121.878 120.400 -0.100 0.000 2.337 14 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 14 D C -1.021 175.241 176.300 -0.064 0.000 1.331 14 D CA 0.044 53.985 54.000 -0.099 0.000 0.967 14 D CB 1.368 42.139 40.800 -0.049 0.000 1.382 14 D HN 0.249 nan 8.370 nan 0.000 0.549 15 S N 3.799 119.441 115.700 -0.097 0.000 2.416 15 S HA 0.490 4.960 4.470 -0.000 0.000 0.287 15 S C 0.352 175.036 174.600 0.140 0.000 1.139 15 S CA -0.745 57.484 58.200 0.048 0.000 1.058 15 S CB 0.700 63.994 63.200 0.158 0.000 0.967 15 S HN 0.473 nan 8.310 nan 0.000 0.495 16 R N 1.531 122.095 120.500 0.107 0.000 2.888 16 R HA 0.830 5.170 4.340 -0.000 0.000 0.264 16 R C 0.556 176.916 176.300 0.101 0.000 1.045 16 R CA -0.401 55.765 56.100 0.110 0.000 0.962 16 R CB 0.190 30.524 30.300 0.056 0.000 1.210 16 R HN 0.704 nan 8.270 nan 0.000 0.479 17 G N 1.196 110.036 108.800 0.066 0.000 2.566 17 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.280 17 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.280 17 G C 0.363 175.412 174.900 0.247 0.000 1.225 17 G CA 0.390 45.543 45.100 0.089 0.000 0.966 17 G HN 0.676 nan 8.290 nan 0.000 0.560 18 E N 1.548 121.881 120.200 0.222 0.000 2.515 18 E HA -0.019 4.331 4.350 -0.000 0.000 0.201 18 E C 1.747 178.404 176.600 0.095 0.000 1.071 18 E CA 0.557 57.067 56.400 0.183 0.000 0.880 18 E CB -0.184 29.580 29.700 0.106 0.000 0.828 18 E HN 0.434 nan 8.360 nan 0.000 0.540 19 N N 0.701 119.462 118.700 0.103 0.000 2.280 19 N HA -0.035 4.705 4.740 -0.000 0.000 0.192 19 N C 0.047 175.613 175.510 0.092 0.000 1.109 19 N CA 0.029 53.119 53.050 0.066 0.000 0.855 19 N CB 0.104 38.627 38.487 0.061 0.000 0.974 19 N HN 0.198 nan 8.380 nan 0.000 0.482 20 N N 2.556 121.347 118.700 0.152 0.000 2.406 20 N HA 0.108 4.848 4.740 -0.000 0.000 0.251 20 N C -1.569 173.940 175.510 -0.002 0.000 1.069 20 N CA -1.569 51.610 53.050 0.215 0.000 0.947 20 N CB 1.619 40.321 38.487 0.358 0.000 1.111 20 N HN -0.056 nan 8.380 nan 0.000 0.497 21 P HA -0.121 nan 4.420 nan 0.000 0.225 21 P C 0.235 177.148 177.300 -0.645 0.000 1.148 21 P CA 1.033 63.817 63.100 -0.527 0.000 0.779 21 P CB 0.026 31.335 31.700 -0.651 0.000 0.780 22 F N -2.201 117.610 119.950 -0.231 0.000 2.765 22 F HA 0.148 4.675 4.527 -0.000 0.000 0.302 22 F C 1.173 176.760 175.800 -0.355 0.000 1.111 22 F CA -0.377 57.420 58.000 -0.339 0.000 1.359 22 F CB -0.813 37.780 39.000 -0.679 0.000 1.097 22 F HN -0.142 nan 8.300 nan 0.000 0.577 23 Y N 0.582 120.792 120.300 -0.150 0.000 2.341 23 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 23 Y C -1.299 174.564 175.900 -0.061 0.000 0.997 23 Y CA -2.277 55.898 58.100 0.125 0.000 1.149 23 Y CB 0.133 38.756 38.460 0.272 0.000 1.171 23 Y HN -0.043 nan 8.280 nan 0.000 0.494 24 F N 5.182 124.984 119.950 -0.247 0.000 2.366 24 F HA 0.251 4.778 4.527 -0.000 0.000 0.357 24 F C 0.422 175.972 175.800 -0.417 0.000 1.107 24 F CA -0.865 56.931 58.000 -0.339 0.000 1.208 24 F CB 0.656 39.540 39.000 -0.193 0.000 1.464 24 F HN 0.512 nan 8.300 nan 0.000 0.501 25 S N -0.065 115.225 115.700 -0.682 0.000 2.560 25 S HA -0.006 4.464 4.470 -0.000 0.000 0.284 25 S C 1.491 176.147 174.600 0.093 0.000 1.327 25 S CA -0.111 57.854 58.200 -0.392 0.000 1.055 25 S CB 1.656 64.623 63.200 -0.388 0.000 0.868 25 S HN 0.561 nan 8.310 nan 0.000 0.506 26 S N 1.747 117.556 115.700 0.180 0.000 2.399 26 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 26 S C 1.166 175.801 174.600 0.059 0.000 1.022 26 S CA 1.728 59.993 58.200 0.109 0.000 0.983 26 S CB -0.815 62.367 63.200 -0.030 0.000 0.803 26 S HN 0.838 nan 8.310 nan 0.000 0.480 27 D N 0.329 120.757 120.400 0.047 0.000 2.117 27 D HA 0.030 4.670 4.640 -0.000 0.000 0.198 27 D C 2.240 178.544 176.300 0.007 0.000 0.982 27 D CA 1.101 55.112 54.000 0.019 0.000 0.828 27 D CB 0.101 40.922 40.800 0.035 0.000 0.967 27 D HN 0.446 nan 8.370 nan 0.000 0.464 28 R N -1.369 119.120 120.500 -0.018 0.000 2.469 28 R HA 0.300 4.640 4.340 -0.000 0.000 0.250 28 R C 0.896 177.070 176.300 -0.211 0.000 0.909 28 R CA -0.138 55.922 56.100 -0.066 0.000 1.050 28 R CB 0.687 30.953 30.300 -0.057 0.000 1.256 28 R HN -0.173 nan 8.270 nan 0.000 0.550 29 R N 0.160 120.511 120.500 -0.248 0.000 2.480 29 R HA 0.282 4.622 4.340 -0.000 0.000 0.277 29 R C -1.044 174.793 176.300 -0.772 0.000 1.008 29 R CA 0.189 55.913 56.100 -0.627 0.000 1.090 29 R CB 0.080 30.150 30.300 -0.383 0.000 1.234 29 R HN -0.093 nan 8.270 nan 0.000 0.549 30 F N -1.273 118.429 119.950 -0.414 0.000 2.561 30 F HA 0.368 4.895 4.527 0.000 0.000 0.321 30 F C 0.224 176.041 175.800 0.028 0.000 1.065 30 F CA -0.988 56.933 58.000 -0.132 0.000 0.934 30 F CB 1.496 40.462 39.000 -0.057 0.000 1.215 30 F HN -0.040 nan 8.300 nan 0.000 0.471 31 H N 0.890 120.115 119.070 0.258 0.000 2.489 31 H HA 0.352 4.908 4.556 0.000 0.000 0.343 31 H C -1.206 174.221 175.328 0.164 0.000 1.086 31 H CA -0.537 55.629 56.048 0.196 0.000 1.198 31 H CB 1.719 31.584 29.762 0.172 0.000 1.490 31 H HN 0.556 nan 8.280 nan 0.000 0.504 32 T N 6.852 121.134 114.554 -0.452 0.000 2.761 32 T HA 0.130 4.480 4.350 -0.000 0.000 0.296 32 T C 1.818 176.295 174.700 -0.371 0.000 0.934 32 T CA -0.371 61.551 62.100 -0.296 0.000 1.091 32 T CB 0.559 69.275 68.868 -0.254 0.000 0.896 32 T HN 0.543 nan 8.240 nan 0.000 0.515 33 L N 2.604 123.804 121.223 -0.039 0.000 2.249 33 L HA 0.392 4.732 4.340 -0.000 0.000 0.207 33 L C 0.309 177.271 176.870 0.154 0.000 1.090 33 L CA 0.623 55.516 54.840 0.089 0.000 0.802 33 L CB 0.156 42.331 42.059 0.194 0.000 0.947 33 L HN 0.556 nan 8.230 nan 0.000 0.453 34 F N -1.176 118.770 119.950 -0.007 0.000 2.688 34 F HA 0.494 5.021 4.527 -0.000 0.000 0.308 34 F C -0.850 174.966 175.800 0.027 0.000 1.117 34 F CA -0.558 57.431 58.000 -0.018 0.000 0.976 34 F CB 1.831 40.806 39.000 -0.041 0.000 1.291 34 F HN -0.359 nan 8.300 nan 0.000 0.439 35 T N 4.489 118.424 114.554 -1.031 0.000 3.012 35 T HA 0.637 4.987 4.350 -0.000 0.000 0.330 35 T C -1.883 172.317 174.700 -0.833 0.000 1.321 35 T CA -0.438 61.294 62.100 -0.614 0.000 1.067 35 T CB 1.152 69.848 68.868 -0.286 0.000 1.235 35 T HN 1.162 nan 8.240 nan 0.000 0.479 36 N N 1.729 120.195 118.700 -0.391 0.000 3.308 36 N HA 0.176 4.916 4.740 -0.000 0.000 0.276 36 N C 0.720 176.119 175.510 -0.184 0.000 1.533 36 N CA -0.362 52.521 53.050 -0.278 0.000 0.878 36 N CB 0.449 38.849 38.487 -0.145 0.000 1.566 36 N HN 0.680 nan 8.380 nan 0.000 0.546 37 Q N -0.926 118.693 119.800 -0.302 0.000 2.291 37 Q HA -0.056 4.284 4.340 -0.000 0.000 0.206 37 Q C 0.353 176.158 176.000 -0.325 0.000 0.976 37 Q CA 1.362 56.943 55.803 -0.371 0.000 0.875 37 Q CB -0.534 27.876 28.738 -0.546 0.000 0.927 37 Q HN 0.699 nan 8.270 nan 0.000 0.450 38 Y N 0.320 120.637 120.300 0.028 0.000 2.478 38 Y HA 0.393 4.943 4.550 -0.000 0.000 0.261 38 Y C 1.143 177.029 175.900 -0.023 0.000 1.127 38 Y CA -0.216 57.898 58.100 0.023 0.000 1.288 38 Y CB 1.161 39.660 38.460 0.065 0.000 1.084 38 Y HN 0.297 nan 8.280 nan 0.000 0.530 39 G N -0.580 108.266 108.800 0.075 0.000 2.324 39 G HA2 0.380 4.340 3.960 -0.000 0.000 0.293 39 G HA3 0.380 4.340 3.960 -0.000 0.000 0.293 39 G C -2.143 172.735 174.900 -0.035 0.000 1.297 39 G CA -0.913 44.105 45.100 -0.136 0.000 0.853 39 G HN 0.275 nan 8.290 nan 0.000 0.535 40 H N -2.148 116.901 119.070 -0.035 0.000 3.037 40 H HA 0.810 5.366 4.556 -0.000 0.000 0.355 40 H C -1.735 173.679 175.328 0.145 0.000 1.263 40 H CA -1.088 54.999 56.048 0.065 0.000 1.129 40 H CB 1.811 31.539 29.762 -0.057 0.000 1.861 40 H HN 0.779 nan 8.280 nan 0.000 0.546 41 L N 1.635 123.124 121.223 0.442 0.000 2.356 41 L HA 0.615 4.955 4.340 -0.000 0.000 0.277 41 L C -0.856 176.206 176.870 0.319 0.000 0.996 41 L CA -0.261 54.845 54.840 0.443 0.000 0.822 41 L CB 1.357 43.692 42.059 0.461 0.000 1.256 41 L HN 0.783 nan 8.230 nan 0.000 0.413 42 R N 4.747 125.432 120.500 0.309 0.000 2.807 42 R HA 0.662 5.002 4.340 -0.000 0.000 0.276 42 R C -1.372 175.171 176.300 0.406 0.000 0.979 42 R CA -0.967 55.307 56.100 0.290 0.000 0.928 42 R CB 2.709 33.134 30.300 0.207 0.000 1.191 42 R HN 0.609 nan 8.270 nan 0.000 0.471 43 I N 2.330 123.142 120.570 0.404 0.000 2.498 43 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 43 I C -0.910 175.307 176.117 0.167 0.000 1.032 43 I CA -1.233 60.260 61.300 0.322 0.000 1.073 43 I CB 1.697 39.849 38.000 0.253 0.000 1.251 43 I HN 0.461 nan 8.210 nan 0.000 0.426 44 L N 7.360 128.502 121.223 -0.135 0.000 2.461 44 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 44 L C -0.046 176.675 176.870 -0.249 0.000 1.197 44 L CA 0.350 54.822 54.840 -0.613 0.000 0.836 44 L CB 0.169 41.765 42.059 -0.771 0.000 1.105 44 L HN 0.502 nan 8.230 nan 0.000 0.477 45 H N 3.704 122.583 119.070 -0.318 0.000 2.948 45 H HA 0.143 4.699 4.556 0.000 0.000 0.351 45 H C 0.005 175.189 175.328 -0.240 0.000 1.079 45 H CA 0.240 56.186 56.048 -0.171 0.000 1.407 45 H CB 0.231 29.943 29.762 -0.083 0.000 1.373 45 H HN 0.487 nan 8.280 nan 0.000 0.605 46 R N 2.371 122.817 120.500 -0.090 0.000 2.538 46 R HA -0.072 4.268 4.340 -0.000 0.000 0.282 46 R C 0.824 177.105 176.300 -0.033 0.000 1.009 46 R CA 0.041 56.059 56.100 -0.137 0.000 1.063 46 R CB 0.189 30.428 30.300 -0.102 0.000 0.945 46 R HN 0.517 nan 8.270 nan 0.000 0.414 47 F N 1.831 121.806 119.950 0.042 0.000 2.075 47 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 47 F C 2.307 178.160 175.800 0.089 0.000 1.113 47 F CA 1.796 59.841 58.000 0.075 0.000 1.218 47 F CB -0.397 38.572 39.000 -0.053 0.000 0.984 47 F HN 0.641 nan 8.300 nan 0.000 0.472 48 D N -0.256 120.271 120.400 0.211 0.000 2.218 48 D HA -0.183 4.457 4.640 -0.000 0.000 0.204 48 D C 1.571 177.884 176.300 0.021 0.000 0.976 48 D CA 0.997 55.046 54.000 0.082 0.000 0.853 48 D CB -0.713 40.091 40.800 0.007 0.000 0.939 48 D HN 0.338 nan 8.370 nan 0.000 0.481 49 Q N -0.045 119.754 119.800 -0.002 0.000 2.297 49 Q HA 0.016 4.356 4.340 -0.000 0.000 0.204 49 Q C 2.178 178.160 176.000 -0.031 0.000 0.962 49 Q CA 0.428 56.206 55.803 -0.041 0.000 0.879 49 Q CB -0.019 28.672 28.738 -0.079 0.000 0.947 49 Q HN 0.399 nan 8.270 nan 0.000 0.462 50 R N -0.132 120.377 120.500 0.014 0.000 2.112 50 R HA 0.107 4.447 4.340 -0.000 0.000 0.216 50 R C 0.414 176.648 176.300 -0.109 0.000 1.080 50 R CA 0.353 56.413 56.100 -0.066 0.000 0.996 50 R CB 0.514 30.752 30.300 -0.103 0.000 0.902 50 R HN -0.002 nan 8.270 nan 0.000 0.449 51 S N -0.220 115.452 115.700 -0.048 0.000 2.562 51 S HA 0.228 4.698 4.470 -0.000 0.000 0.274 51 S C -0.062 174.527 174.600 -0.018 0.000 1.160 51 S CA -0.686 57.452 58.200 -0.104 0.000 0.933 51 S CB 1.388 64.409 63.200 -0.298 0.000 1.100 51 S HN -0.067 nan 8.310 nan 0.000 0.468 52 K N 2.825 123.219 120.400 -0.011 0.000 2.439 52 K HA 0.054 4.374 4.320 -0.000 0.000 0.197 52 K C 1.470 178.100 176.600 0.049 0.000 1.041 52 K CA 0.863 57.164 56.287 0.023 0.000 0.970 52 K CB -0.102 32.411 32.500 0.023 0.000 0.773 52 K HN 0.693 nan 8.250 nan 0.000 0.479 53 Q N 0.365 120.203 119.800 0.063 0.000 2.436 53 Q HA 0.007 4.347 4.340 -0.000 0.000 0.209 53 Q C 1.181 177.236 176.000 0.092 0.000 0.965 53 Q CA 0.698 56.580 55.803 0.132 0.000 0.910 53 Q CB -0.004 28.899 28.738 0.274 0.000 0.980 53 Q HN 0.426 nan 8.270 nan 0.000 0.491 54 I N -3.615 116.998 120.570 0.072 0.000 3.426 54 I HA 0.225 4.395 4.170 -0.000 0.000 0.329 54 I C 1.192 177.326 176.117 0.028 0.000 1.553 54 I CA -0.333 60.978 61.300 0.019 0.000 1.019 54 I CB 0.375 38.383 38.000 0.014 0.000 1.376 54 I HN -0.161 nan 8.210 nan 0.000 0.525 55 Q N 2.421 122.247 119.800 0.044 0.000 2.173 55 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 55 Q C 1.477 177.516 176.000 0.065 0.000 0.989 55 Q CA 2.155 57.990 55.803 0.054 0.000 0.872 55 Q CB -0.204 28.563 28.738 0.048 0.000 0.909 55 Q HN 0.557 nan 8.270 nan 0.000 0.420 56 N N -0.402 118.326 118.700 0.048 0.000 2.567 56 N HA -0.024 4.716 4.740 -0.000 0.000 0.195 56 N C 0.193 175.765 175.510 0.103 0.000 1.242 56 N CA 0.450 53.539 53.050 0.066 0.000 0.884 56 N CB 0.110 38.625 38.487 0.047 0.000 1.007 56 N HN 0.367 nan 8.380 nan 0.000 0.450 57 L N 0.269 121.540 121.223 0.080 0.000 2.667 57 L HA 0.086 4.426 4.340 -0.000 0.000 0.232 57 L C 1.876 178.930 176.870 0.307 0.000 1.138 57 L CA 0.053 54.966 54.840 0.122 0.000 0.921 57 L CB 0.079 41.944 42.059 -0.323 0.000 1.180 57 L HN 0.209 nan 8.230 nan 0.000 0.487 58 E N 0.013 120.349 120.200 0.227 0.000 2.209 58 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 58 E C 0.888 177.652 176.600 0.274 0.000 0.993 58 E CA 1.513 58.051 56.400 0.230 0.000 0.819 58 E CB -0.323 29.484 29.700 0.180 0.000 0.745 58 E HN 0.585 nan 8.360 nan 0.000 0.477 59 N N -0.799 117.985 118.700 0.140 0.000 2.383 59 N HA 0.053 4.793 4.740 -0.000 0.000 0.192 59 N C -0.935 174.435 175.510 -0.234 0.000 1.141 59 N CA -0.137 52.871 53.050 -0.069 0.000 0.851 59 N CB 0.207 38.550 38.487 -0.240 0.000 0.976 59 N HN 0.125 nan 8.380 nan 0.000 0.465 60 Y N 0.125 120.522 120.300 0.161 0.000 2.446 60 Y HA 0.494 5.044 4.550 0.000 0.000 0.345 60 Y C 0.192 176.243 175.900 0.252 0.000 0.984 60 Y CA -1.019 57.180 58.100 0.165 0.000 1.058 60 Y CB 1.154 39.682 38.460 0.113 0.000 1.220 60 Y HN -0.214 nan 8.280 nan 0.000 0.455 61 R N 1.024 121.740 120.500 0.359 0.000 2.888 61 R HA 0.792 5.132 4.340 -0.000 0.000 0.266 61 R C -1.636 174.803 176.300 0.230 0.000 1.020 61 R CA -1.270 54.985 56.100 0.260 0.000 0.963 61 R CB 2.181 32.698 30.300 0.362 0.000 1.197 61 R HN 0.469 nan 8.270 nan 0.000 0.481 62 V N 1.420 121.409 119.914 0.125 0.000 2.531 62 V HA 0.453 4.573 4.120 -0.000 0.000 0.301 62 V C -0.538 175.688 176.094 0.221 0.000 1.034 62 V CA -0.796 61.591 62.300 0.145 0.000 0.865 62 V CB 2.322 34.208 31.823 0.105 0.000 0.995 62 V HN 0.382 nan 8.190 nan 0.000 0.424 63 V N 4.231 124.300 119.914 0.259 0.000 2.555 63 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 63 V C -0.260 176.020 176.094 0.310 0.000 1.038 63 V CA -0.662 61.822 62.300 0.307 0.000 0.887 63 V CB 2.041 34.020 31.823 0.261 0.000 0.991 63 V HN 0.893 nan 8.190 nan 0.000 0.434 64 E N 3.307 123.719 120.200 0.353 0.000 2.158 64 E HA 0.500 4.850 4.350 -0.000 0.000 0.271 64 E C -1.637 175.139 176.600 0.293 0.000 0.911 64 E CA -0.491 56.073 56.400 0.272 0.000 0.767 64 E CB 2.549 32.340 29.700 0.153 0.000 1.120 64 E HN 0.523 nan 8.360 nan 0.000 0.405 65 F N 3.117 123.123 119.950 0.094 0.000 2.520 65 F HA 0.492 5.019 4.527 -0.000 0.000 0.322 65 F C -1.063 174.730 175.800 -0.011 0.000 1.103 65 F CA -0.720 57.319 58.000 0.066 0.000 0.926 65 F CB 1.305 40.349 39.000 0.073 0.000 1.154 65 F HN 0.194 nan 8.300 nan 0.000 0.453 66 K N 4.263 124.053 120.400 -1.017 0.000 2.535 66 K HA 0.613 4.933 4.320 -0.000 0.000 0.250 66 K C -1.724 174.241 176.600 -1.059 0.000 0.948 66 K CA -0.479 55.277 56.287 -0.885 0.000 0.796 66 K CB 1.608 33.729 32.500 -0.632 0.000 1.216 66 K HN 0.809 nan 8.250 nan 0.000 0.432 67 S N 2.519 117.791 115.700 -0.714 0.000 2.595 67 S HA 0.522 4.992 4.470 -0.000 0.000 0.281 67 S C -0.706 173.804 174.600 -0.149 0.000 1.117 67 S CA -1.080 56.889 58.200 -0.386 0.000 0.873 67 S CB 1.805 64.882 63.200 -0.205 0.000 1.108 67 S HN 0.562 nan 8.310 nan 0.000 0.477 68 K N 0.729 121.106 120.400 -0.037 0.000 2.118 68 K HA 0.417 4.737 4.320 -0.000 0.000 0.240 68 K C -2.590 174.022 176.600 0.020 0.000 1.035 68 K CA -1.966 54.328 56.287 0.012 0.000 0.899 68 K CB -0.060 32.495 32.500 0.091 0.000 1.085 68 K HN 0.389 nan 8.250 nan 0.000 0.498 69 P HA -0.019 nan 4.420 nan 0.000 0.268 69 P C -1.022 176.281 177.300 0.005 0.000 1.208 69 P CA 0.441 63.550 63.100 0.015 0.000 0.777 69 P CB 0.181 31.889 31.700 0.014 0.000 0.875 70 N N -1.963 116.741 118.700 0.006 0.000 2.727 70 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 70 N C -0.322 175.165 175.510 -0.038 0.000 1.048 70 N CA 0.925 53.969 53.050 -0.009 0.000 0.714 70 N CB -1.535 36.938 38.487 -0.024 0.000 0.959 70 N HN 0.551 nan 8.380 nan 0.000 0.544 71 T N -2.352 112.201 114.554 -0.002 0.000 2.949 71 T HA 0.753 5.102 4.350 -0.000 0.000 0.287 71 T C -0.379 174.361 174.700 0.068 0.000 1.034 71 T CA -1.021 61.073 62.100 -0.010 0.000 1.018 71 T CB 2.564 71.456 68.868 0.039 0.000 1.135 71 T HN 0.183 nan 8.240 nan 0.000 0.532 72 L N 1.176 122.442 121.223 0.071 0.000 2.464 72 L HA 0.699 5.039 4.340 -0.000 0.000 0.266 72 L C -1.667 175.286 176.870 0.139 0.000 0.965 72 L CA -1.078 53.834 54.840 0.119 0.000 0.833 72 L CB 1.929 44.020 42.059 0.054 0.000 1.296 72 L HN 0.771 nan 8.230 nan 0.000 0.405 73 L N 5.693 127.019 121.223 0.172 0.000 2.261 73 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 73 L C -0.578 176.376 176.870 0.140 0.000 1.059 73 L CA -0.008 54.901 54.840 0.115 0.000 0.816 73 L CB 0.529 42.564 42.059 -0.040 0.000 1.191 73 L HN 0.645 nan 8.230 nan 0.000 0.431 74 L N 7.015 128.315 121.223 0.128 0.000 2.516 74 L HA 0.138 4.478 4.340 -0.000 0.000 0.288 74 L C -1.671 175.319 176.870 0.200 0.000 1.246 74 L CA -1.439 53.484 54.840 0.139 0.000 0.844 74 L CB -0.252 41.894 42.059 0.144 0.000 1.106 74 L HN 0.545 nan 8.230 nan 0.000 0.509 75 P HA 0.012 nan 4.420 nan 0.000 0.264 75 P C -1.053 176.287 177.300 0.068 0.000 1.193 75 P CA 0.610 63.793 63.100 0.140 0.000 0.763 75 P CB 0.425 32.209 31.700 0.139 0.000 0.810 76 H N 0.826 119.720 119.070 -0.294 0.000 2.987 76 H HA 0.427 4.983 4.556 -0.000 0.000 0.316 76 H C -1.212 174.036 175.328 -0.133 0.000 1.380 76 H CA -0.712 55.112 56.048 -0.373 0.000 1.160 76 H CB 1.215 30.183 29.762 -1.324 0.000 1.865 76 H HN 0.658 nan 8.280 nan 0.000 0.521 77 H N 0.719 119.716 119.070 -0.122 0.000 2.928 77 H HA 0.869 5.425 4.556 -0.000 0.000 0.371 77 H C -1.641 173.811 175.328 0.207 0.000 1.186 77 H CA -0.605 55.438 56.048 -0.008 0.000 1.134 77 H CB 1.984 31.755 29.762 0.014 0.000 1.824 77 H HN 0.915 nan 8.280 nan 0.000 0.554 78 A N 1.460 124.393 122.820 0.189 0.000 2.475 78 A HA 0.279 4.599 4.320 -0.000 0.000 0.301 78 A C -0.664 176.962 177.584 0.070 0.000 1.059 78 A CA -0.497 51.664 52.037 0.206 0.000 0.710 78 A CB 1.270 20.475 19.000 0.343 0.000 1.288 78 A HN 0.816 nan 8.150 nan 0.000 0.408 79 D N 0.812 121.306 120.400 0.157 0.000 2.801 79 D HA 0.470 5.109 4.640 -0.000 0.000 0.232 79 D C -0.084 176.176 176.300 -0.067 0.000 1.128 79 D CA 0.572 54.612 54.000 0.067 0.000 1.003 79 D CB 0.007 40.898 40.800 0.152 0.000 1.110 79 D HN 0.974 nan 8.370 nan 0.000 0.477 80 A N 0.901 123.526 122.820 -0.325 0.000 2.582 80 A HA 0.339 4.659 4.320 -0.000 0.000 0.297 80 A C -1.361 175.760 177.584 -0.773 0.000 1.059 80 A CA -0.962 50.748 52.037 -0.544 0.000 0.705 80 A CB 1.326 19.838 19.000 -0.812 0.000 1.279 80 A HN 0.098 nan 8.150 nan 0.000 0.404 81 D N 0.716 120.816 120.400 -0.501 0.000 2.350 81 D HA 0.575 5.215 4.640 -0.000 0.000 0.249 81 D C -0.933 175.140 176.300 -0.377 0.000 1.119 81 D CA 0.937 54.717 54.000 -0.367 0.000 0.886 81 D CB 0.241 40.937 40.800 -0.173 0.000 1.195 81 D HN 0.309 nan 8.370 nan 0.000 0.437 82 F N 2.091 121.960 119.950 -0.135 0.000 2.520 82 F HA 0.323 4.850 4.527 0.000 0.000 0.322 82 F C -0.040 175.712 175.800 -0.081 0.000 1.103 82 F CA -1.333 56.585 58.000 -0.135 0.000 0.926 82 F CB 1.677 40.566 39.000 -0.184 0.000 1.154 82 F HN 0.055 nan 8.300 nan 0.000 0.453 83 L N 5.742 127.076 121.223 0.186 0.000 2.337 83 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 83 L C -1.204 175.762 176.870 0.160 0.000 1.018 83 L CA -0.443 54.501 54.840 0.174 0.000 0.876 83 L CB 0.751 42.954 42.059 0.241 0.000 1.236 83 L HN 0.592 nan 8.230 nan 0.000 0.436 84 L N 5.376 126.630 121.223 0.051 0.000 2.331 84 L HA 0.661 5.001 4.340 -0.000 0.000 0.278 84 L C -0.979 175.870 176.870 -0.035 0.000 1.106 84 L CA -0.215 54.615 54.840 -0.016 0.000 0.824 84 L CB 1.151 43.139 42.059 -0.118 0.000 1.142 84 L HN 0.425 nan 8.230 nan 0.000 0.443 85 V N 5.278 125.161 119.914 -0.050 0.000 2.686 85 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 85 V C -0.383 175.597 176.094 -0.190 0.000 1.065 85 V CA -0.745 61.426 62.300 -0.215 0.000 0.894 85 V CB 2.010 33.510 31.823 -0.538 0.000 1.004 85 V HN 0.441 nan 8.190 nan 0.000 0.424 86 V N 6.073 125.884 119.914 -0.171 0.000 2.389 86 V HA 0.214 4.334 4.120 -0.000 0.000 0.264 86 V C 1.050 177.052 176.094 -0.153 0.000 1.049 86 V CA 0.205 62.447 62.300 -0.097 0.000 0.932 86 V CB 1.025 32.825 31.823 -0.038 0.000 1.011 86 V HN 0.767 nan 8.190 nan 0.000 0.475 87 L N 3.606 124.755 121.223 -0.123 0.000 2.209 87 L HA 0.206 4.546 4.340 -0.000 0.000 0.207 87 L C 0.968 177.807 176.870 -0.053 0.000 1.094 87 L CA 0.884 55.656 54.840 -0.114 0.000 0.790 87 L CB 0.176 42.200 42.059 -0.058 0.000 0.932 87 L HN 0.650 nan 8.230 nan 0.000 0.447 88 N N -1.088 117.593 118.700 -0.031 0.000 2.406 88 N HA 0.380 5.120 4.740 -0.000 0.000 0.283 88 N C -0.366 175.139 175.510 -0.009 0.000 1.074 88 N CA 0.811 53.851 53.050 -0.017 0.000 0.916 88 N CB 2.232 40.713 38.487 -0.010 0.000 1.639 88 N HN 0.224 nan 8.380 nan 0.000 0.485 89 G N 2.198 110.995 108.800 -0.004 0.000 2.482 89 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 89 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 89 G C -1.245 173.662 174.900 0.012 0.000 1.271 89 G CA -0.191 44.912 45.100 0.004 0.000 0.944 89 G HN 0.875 nan 8.290 nan 0.000 0.568 90 R N -0.659 119.852 120.500 0.020 0.000 2.739 90 R HA 0.881 5.221 4.340 -0.000 0.000 0.271 90 R C -0.530 175.789 176.300 0.032 0.000 1.010 90 R CA -0.309 55.803 56.100 0.020 0.000 0.897 90 R CB 1.483 31.791 30.300 0.014 0.000 1.236 90 R HN 2.373 nan 8.270 nan 0.000 0.466 91 A N 1.528 124.362 122.820 0.023 0.000 2.609 91 A HA 0.649 4.969 4.320 -0.000 0.000 0.291 91 A C -1.301 176.298 177.584 0.024 0.000 1.096 91 A CA -0.978 51.086 52.037 0.045 0.000 0.684 91 A CB 1.613 20.657 19.000 0.073 0.000 1.282 91 A HN 0.635 nan 8.150 nan 0.000 0.412 92 I N 1.308 121.905 120.570 0.044 0.000 2.339 92 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 92 I C -0.899 175.219 176.117 0.001 0.000 0.994 92 I CA -0.621 60.693 61.300 0.024 0.000 1.191 92 I CB 1.534 39.563 38.000 0.048 0.000 1.343 92 I HN 0.528 nan 8.210 nan 0.000 0.458 93 L N 6.914 128.130 121.223 -0.011 0.000 2.287 93 L HA 0.547 4.887 4.340 -0.000 0.000 0.287 93 L C -0.446 176.364 176.870 -0.100 0.000 1.022 93 L CA 0.386 55.206 54.840 -0.033 0.000 0.814 93 L CB 1.511 43.571 42.059 0.001 0.000 1.217 93 L HN 0.476 nan 8.230 nan 0.000 0.420 94 T N 6.640 120.986 114.554 -0.347 0.000 2.791 94 T HA 0.499 4.849 4.350 -0.000 0.000 0.288 94 T C -0.259 174.279 174.700 -0.269 0.000 0.999 94 T CA -0.303 61.518 62.100 -0.464 0.000 0.952 94 T CB 0.690 68.910 68.868 -1.080 0.000 0.938 94 T HN 0.432 nan 8.240 nan 0.000 0.444 95 L N 3.723 124.907 121.223 -0.066 0.000 2.255 95 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 95 L C -0.213 176.676 176.870 0.031 0.000 1.046 95 L CA -0.977 53.879 54.840 0.026 0.000 0.816 95 L CB 0.913 43.011 42.059 0.065 0.000 1.197 95 L HN 0.340 nan 8.230 nan 0.000 0.427 96 V N 3.810 123.770 119.914 0.076 0.000 2.348 96 V HA 0.272 4.392 4.120 -0.000 0.000 0.270 96 V C 0.305 176.437 176.094 0.063 0.000 1.037 96 V CA -0.664 61.690 62.300 0.089 0.000 0.872 96 V CB 0.758 32.675 31.823 0.157 0.000 1.002 96 V HN 0.708 nan 8.190 nan 0.000 0.464 97 N N 5.587 124.310 118.700 0.039 0.000 2.491 97 N HA 0.407 5.147 4.740 -0.000 0.000 0.279 97 N C -1.678 173.839 175.510 0.012 0.000 1.236 97 N CA -1.432 51.630 53.050 0.019 0.000 0.982 97 N CB 1.047 39.542 38.487 0.014 0.000 1.194 97 N HN 0.200 nan 8.380 nan 0.000 0.582 98 P HA -0.106 nan 4.420 nan 0.000 0.215 98 P C -0.245 177.054 177.300 -0.001 0.000 1.153 98 P CA 1.571 64.666 63.100 -0.008 0.000 0.853 98 P CB 0.103 31.791 31.700 -0.020 0.000 0.788 99 D N -2.615 117.785 120.400 -0.001 0.000 2.650 99 D HA 0.249 4.889 4.640 -0.000 0.000 0.265 99 D C -0.059 176.241 176.300 0.001 0.000 1.339 99 D CA -0.419 53.580 54.000 -0.000 0.000 0.816 99 D CB -0.147 40.651 40.800 -0.004 0.000 1.091 99 D HN 0.128 nan 8.370 nan 0.000 0.483 100 S N -0.751 114.952 115.700 0.005 0.000 2.663 100 S HA 0.691 5.161 4.470 -0.000 0.000 0.264 100 S C -1.488 173.117 174.600 0.007 0.000 1.112 100 S CA -1.335 56.866 58.200 0.002 0.000 0.823 100 S CB 1.767 64.967 63.200 0.001 0.000 1.111 100 S HN 0.499 nan 8.310 nan 0.000 0.476 101 R N 0.087 120.584 120.500 -0.006 0.000 2.663 101 R HA 0.763 5.103 4.340 -0.000 0.000 0.267 101 R C -2.359 173.910 176.300 -0.052 0.000 1.038 101 R CA -0.819 55.276 56.100 -0.008 0.000 0.886 101 R CB 1.409 31.719 30.300 0.017 0.000 1.249 101 R HN 0.612 nan 8.270 nan 0.000 0.463 102 D N 1.350 121.702 120.400 -0.079 0.000 2.787 102 D HA 0.350 4.990 4.640 -0.000 0.000 0.246 102 D C -0.940 175.141 176.300 -0.364 0.000 1.150 102 D CA -0.610 53.254 54.000 -0.226 0.000 0.864 102 D CB 2.433 43.143 40.800 -0.149 0.000 1.481 102 D HN 0.468 nan 8.370 nan 0.000 0.509 103 S N 1.115 116.507 115.700 -0.513 0.000 2.501 103 S HA 0.631 5.101 4.470 -0.000 0.000 0.301 103 S C -1.076 173.141 174.600 -0.638 0.000 1.096 103 S CA -0.614 57.341 58.200 -0.408 0.000 1.063 103 S CB 0.908 64.001 63.200 -0.178 0.000 1.042 103 S HN 0.286 nan 8.310 nan 0.000 0.494 104 Y N 0.745 120.998 120.300 -0.077 0.000 2.492 104 Y HA 0.531 5.081 4.550 -0.000 0.000 0.346 104 Y C -0.198 175.635 175.900 -0.113 0.000 0.997 104 Y CA -0.920 57.126 58.100 -0.089 0.000 1.025 104 Y CB 1.097 39.495 38.460 -0.103 0.000 1.263 104 Y HN 0.455 nan 8.280 nan 0.000 0.454 105 I N 4.220 124.802 120.570 0.019 0.000 2.315 105 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 105 I C -1.163 174.828 176.117 -0.209 0.000 1.006 105 I CA -0.620 60.645 61.300 -0.059 0.000 1.265 105 I CB 0.908 38.881 38.000 -0.046 0.000 1.387 105 I HN 0.317 nan 8.210 nan 0.000 0.475 106 L N 7.338 128.441 121.223 -0.201 0.000 2.280 106 L HA 0.349 4.689 4.340 -0.000 0.000 0.287 106 L C 0.279 177.077 176.870 -0.119 0.000 1.023 106 L CA -0.330 54.306 54.840 -0.340 0.000 0.819 106 L CB 0.936 42.895 42.059 -0.167 0.000 1.212 106 L HN 0.446 nan 8.230 nan 0.000 0.420 107 E N 1.689 121.909 120.200 0.034 0.000 2.312 107 E HA 0.161 4.511 4.350 -0.000 0.000 0.259 107 E C -0.335 176.367 176.600 0.169 0.000 1.122 107 E CA -0.711 55.790 56.400 0.168 0.000 0.922 107 E CB 0.594 30.428 29.700 0.223 0.000 1.109 107 E HN 0.434 nan 8.360 nan 0.000 0.442 108 Q N -0.295 119.537 119.800 0.053 0.000 2.269 108 Q HA 0.132 4.472 4.340 -0.000 0.000 0.300 108 Q C 0.646 176.612 176.000 -0.057 0.000 1.070 108 Q CA 1.305 57.101 55.803 -0.011 0.000 0.957 108 Q CB -0.130 28.592 28.738 -0.026 0.000 1.131 108 Q HN 0.776 nan 8.270 nan 0.000 0.377 109 G N 2.702 111.439 108.800 -0.105 0.000 2.232 109 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 109 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 109 G C -0.330 174.442 174.900 -0.213 0.000 0.996 109 G CA 0.066 45.067 45.100 -0.164 0.000 0.626 109 G HN 0.788 nan 8.290 nan 0.000 0.509 110 H N 1.316 120.274 119.070 -0.186 0.000 2.815 110 H HA 0.587 5.143 4.556 -0.000 0.000 0.350 110 H C 0.647 175.763 175.328 -0.354 0.000 1.080 110 H CA 1.366 57.266 56.048 -0.248 0.000 1.433 110 H CB 1.264 30.916 29.762 -0.183 0.000 1.432 110 H HN 0.723 nan 8.280 nan 0.000 0.592 111 A N 2.485 125.020 122.820 -0.474 0.000 2.454 111 A HA 0.613 4.933 4.320 -0.000 0.000 0.302 111 A C -1.154 176.019 177.584 -0.685 0.000 1.079 111 A CA -0.675 51.014 52.037 -0.580 0.000 0.731 111 A CB 1.948 20.544 19.000 -0.674 0.000 1.299 111 A HN 0.596 nan 8.150 nan 0.000 0.413 112 Q N 0.699 120.314 119.800 -0.310 0.000 2.327 112 Q HA 0.375 4.715 4.340 -0.000 0.000 0.265 112 Q C -1.384 174.600 176.000 -0.028 0.000 0.993 112 Q CA -0.356 55.357 55.803 -0.150 0.000 0.885 112 Q CB 1.565 30.178 28.738 -0.209 0.000 1.379 112 Q HN 0.735 nan 8.270 nan 0.000 0.408 113 K N 4.596 125.036 120.400 0.067 0.000 2.258 113 K HA 0.452 4.772 4.320 -0.000 0.000 0.284 113 K C -0.864 175.721 176.600 -0.026 0.000 1.051 113 K CA -0.325 55.997 56.287 0.059 0.000 0.923 113 K CB 0.491 33.052 32.500 0.102 0.000 1.046 113 K HN 0.748 nan 8.250 nan 0.000 0.474 114 I N 7.527 128.066 120.570 -0.053 0.000 2.359 114 I HA 0.240 4.410 4.170 -0.000 0.000 0.284 114 I C -2.156 173.897 176.117 -0.107 0.000 1.018 114 I CA -2.759 58.465 61.300 -0.127 0.000 1.173 114 I CB 1.563 39.400 38.000 -0.273 0.000 1.326 114 I HN 0.464 nan 8.210 nan 0.000 0.462 115 P HA -0.026 nan 4.420 nan 0.000 0.266 115 P C -0.166 177.057 177.300 -0.128 0.000 1.193 115 P CA -0.076 62.969 63.100 -0.091 0.000 0.770 115 P CB 0.563 32.228 31.700 -0.058 0.000 0.836 116 A N 3.087 125.811 122.820 -0.161 0.000 2.531 116 A HA 0.389 4.709 4.320 -0.000 0.000 0.236 116 A C 1.598 179.131 177.584 -0.085 0.000 1.062 116 A CA 0.799 52.723 52.037 -0.187 0.000 0.760 116 A CB -1.346 17.549 19.000 -0.176 0.000 0.995 116 A HN 0.893 nan 8.150 nan 0.000 0.501 117 G N 1.630 110.418 108.800 -0.019 0.000 2.179 117 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 117 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 117 G C 0.407 175.321 174.900 0.024 0.000 0.977 117 G CA 0.603 45.737 45.100 0.056 0.000 0.641 117 G HN 1.289 nan 8.290 nan 0.000 0.533 118 T N 2.348 116.933 114.554 0.052 0.000 2.761 118 T HA 0.477 4.827 4.350 -0.000 0.000 0.296 118 T C 0.635 175.460 174.700 0.208 0.000 0.934 118 T CA 0.533 62.675 62.100 0.071 0.000 1.091 118 T CB 1.263 70.149 68.868 0.030 0.000 0.896 118 T HN 0.220 nan 8.240 nan 0.000 0.515 119 T N 5.461 120.098 114.554 0.137 0.000 2.870 119 T HA 0.470 4.820 4.350 -0.000 0.000 0.300 119 T C -0.254 174.585 174.700 0.232 0.000 0.989 119 T CA -0.036 62.159 62.100 0.159 0.000 1.139 119 T CB -0.393 68.543 68.868 0.114 0.000 0.920 119 T HN 0.532 nan 8.240 nan 0.000 0.537 120 F N 1.971 121.876 119.950 -0.075 0.000 2.686 120 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 120 F C -1.601 174.222 175.800 0.039 0.000 1.128 120 F CA -2.430 55.522 58.000 -0.080 0.000 0.946 120 F CB 1.063 39.980 39.000 -0.140 0.000 1.336 120 F HN 0.496 nan 8.300 nan 0.000 0.457 121 F N 1.099 121.079 119.950 0.050 0.000 2.620 121 F HA 0.911 5.438 4.527 -0.000 0.000 0.320 121 F C -2.226 173.645 175.800 0.119 0.000 1.069 121 F CA -1.555 56.435 58.000 -0.015 0.000 0.953 121 F CB 1.707 40.715 39.000 0.013 0.000 1.322 121 F HN 0.670 nan 8.300 nan 0.000 0.479 122 L N 2.618 124.004 121.223 0.272 0.000 2.408 122 L HA 0.847 5.187 4.340 -0.000 0.000 0.268 122 L C -1.476 175.535 176.870 0.235 0.000 0.986 122 L CA -0.879 54.067 54.840 0.177 0.000 0.820 122 L CB 2.062 44.168 42.059 0.077 0.000 1.303 122 L HN 0.870 nan 8.230 nan 0.000 0.411 123 V N 3.999 124.034 119.914 0.202 0.000 2.789 123 V HA 0.635 4.755 4.120 -0.000 0.000 0.311 123 V C -1.365 174.818 176.094 0.148 0.000 1.073 123 V CA -0.580 61.834 62.300 0.190 0.000 0.921 123 V CB 2.091 34.031 31.823 0.196 0.000 1.009 123 V HN 0.898 nan 8.190 nan 0.000 0.426 124 N N 7.558 126.339 118.700 0.136 0.000 2.500 124 N HA 0.506 5.246 4.740 -0.000 0.000 0.236 124 N C -1.658 173.891 175.510 0.065 0.000 1.022 124 N CA -2.283 50.827 53.050 0.099 0.000 0.935 124 N CB 1.763 40.303 38.487 0.089 0.000 1.147 124 N HN 0.594 nan 8.380 nan 0.000 0.512 125 P HA 0.008 nan 4.420 nan 0.000 0.245 125 P C -0.122 177.194 177.300 0.027 0.000 1.206 125 P CA 0.216 63.340 63.100 0.040 0.000 0.781 125 P CB 0.444 32.167 31.700 0.039 0.000 0.994 126 D N 0.912 121.327 120.400 0.026 0.000 2.382 126 D HA -0.035 4.605 4.640 -0.000 0.000 0.245 126 D C 0.379 176.688 176.300 0.014 0.000 1.120 126 D CA 0.128 54.138 54.000 0.018 0.000 0.890 126 D CB 1.107 41.917 40.800 0.016 0.000 1.201 126 D HN -0.164 nan 8.370 nan 0.000 0.433 127 D N 2.074 122.481 120.400 0.011 0.000 2.277 127 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 127 D C 0.665 176.970 176.300 0.009 0.000 0.962 127 D CA 1.027 55.032 54.000 0.009 0.000 0.865 127 D CB 0.342 41.147 40.800 0.008 0.000 0.939 127 D HN 0.441 nan 8.370 nan 0.000 0.510 128 N N -1.057 117.648 118.700 0.009 0.000 2.211 128 N HA 0.092 4.832 4.740 -0.000 0.000 0.216 128 N C -0.489 175.025 175.510 0.006 0.000 1.240 128 N CA -0.276 52.779 53.050 0.008 0.000 0.895 128 N CB 0.804 39.295 38.487 0.007 0.000 1.102 128 N HN -0.094 nan 8.380 nan 0.000 0.498 129 E N 1.281 121.484 120.200 0.005 0.000 2.266 129 E HA 0.233 4.583 4.350 -0.000 0.000 0.277 129 E C -0.609 175.990 176.600 -0.003 0.000 1.018 129 E CA -0.239 56.161 56.400 0.001 0.000 0.840 129 E CB 1.186 30.888 29.700 0.003 0.000 1.082 129 E HN 0.253 nan 8.360 nan 0.000 0.395 130 N N 0.910 119.601 118.700 -0.015 0.000 2.424 130 N HA 0.198 4.938 4.740 -0.000 0.000 0.257 130 N C -0.553 174.936 175.510 -0.034 0.000 1.250 130 N CA -0.482 52.546 53.050 -0.036 0.000 0.946 130 N CB 0.588 39.041 38.487 -0.057 0.000 1.175 130 N HN 0.143 nan 8.380 nan 0.000 0.477 131 L N 1.144 122.335 121.223 -0.054 0.000 2.305 131 L HA 0.434 4.774 4.340 -0.000 0.000 0.284 131 L C -0.929 175.897 176.870 -0.073 0.000 1.013 131 L CA -0.362 54.467 54.840 -0.019 0.000 0.819 131 L CB 0.955 43.049 42.059 0.058 0.000 1.227 131 L HN 0.432 nan 8.230 nan 0.000 0.417 132 R N 6.027 126.509 120.500 -0.031 0.000 2.393 132 R HA 0.696 5.035 4.340 -0.000 0.000 0.315 132 R C -1.118 175.203 176.300 0.034 0.000 0.952 132 R CA -0.522 55.558 56.100 -0.034 0.000 0.842 132 R CB 1.722 32.004 30.300 -0.031 0.000 1.163 132 R HN 0.649 nan 8.270 nan 0.000 0.450 133 I N 3.432 124.066 120.570 0.107 0.000 2.689 133 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 133 I C -0.674 175.528 176.117 0.143 0.000 1.059 133 I CA -1.030 60.351 61.300 0.135 0.000 1.055 133 I CB 2.404 40.553 38.000 0.247 0.000 1.243 133 I HN 0.502 nan 8.210 nan 0.000 0.425 134 I N 5.152 125.784 120.570 0.103 0.000 2.499 134 I HA 0.394 4.564 4.170 -0.000 0.000 0.288 134 I C -1.212 175.035 176.117 0.217 0.000 1.048 134 I CA -0.454 60.961 61.300 0.192 0.000 1.062 134 I CB 1.253 39.395 38.000 0.238 0.000 1.238 134 I HN 0.511 nan 8.210 nan 0.000 0.426 135 K N 7.038 127.546 120.400 0.181 0.000 2.345 135 K HA 0.447 4.767 4.320 -0.000 0.000 0.255 135 K C -1.351 175.255 176.600 0.010 0.000 0.934 135 K CA -0.886 55.447 56.287 0.076 0.000 0.801 135 K CB 2.604 35.015 32.500 -0.149 0.000 1.137 135 K HN 0.392 nan 8.250 nan 0.000 0.424 136 L N 2.612 123.732 121.223 -0.171 0.000 2.276 136 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 136 L C -0.886 176.020 176.870 0.058 0.000 1.061 136 L CA 0.092 54.735 54.840 -0.328 0.000 0.807 136 L CB 1.017 42.566 42.059 -0.850 0.000 1.177 136 L HN 0.753 nan 8.230 nan 0.000 0.429 137 A N 5.792 128.707 122.820 0.159 0.000 2.330 137 A HA 0.794 5.114 4.320 -0.000 0.000 0.327 137 A C -0.947 176.671 177.584 0.056 0.000 1.155 137 A CA -0.441 51.691 52.037 0.157 0.000 0.803 137 A CB 0.696 19.794 19.000 0.163 0.000 1.208 137 A HN 0.591 nan 8.150 nan 0.000 0.477 138 I N 3.645 124.151 120.570 -0.106 0.000 2.502 138 I HA 0.311 4.481 4.170 -0.000 0.000 0.276 138 I C -2.478 173.527 176.117 -0.186 0.000 1.057 138 I CA -1.767 59.428 61.300 -0.174 0.000 1.163 138 I CB 1.470 39.350 38.000 -0.199 0.000 1.288 138 I HN 0.325 nan 8.210 nan 0.000 0.479 139 P HA 0.064 nan 4.420 nan 0.000 0.267 139 P C 0.760 178.021 177.300 -0.065 0.000 1.200 139 P CA 0.052 63.137 63.100 -0.025 0.000 0.772 139 P CB 1.130 32.894 31.700 0.108 0.000 0.855 140 V N 1.944 121.832 119.914 -0.043 0.000 2.627 140 V HA -0.050 4.070 4.120 -0.000 0.000 0.239 140 V C 1.854 177.930 176.094 -0.030 0.000 1.077 140 V CA 1.288 63.559 62.300 -0.050 0.000 1.103 140 V CB -0.709 31.084 31.823 -0.050 0.000 0.802 140 V HN 0.489 nan 8.190 nan 0.000 0.482 141 N N 0.675 119.375 118.700 -0.000 0.000 2.135 141 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 141 N C 0.849 176.346 175.510 -0.022 0.000 1.027 141 N CA 0.895 53.944 53.050 -0.001 0.000 0.849 141 N CB -0.120 38.385 38.487 0.030 0.000 1.002 141 N HN 0.378 nan 8.380 nan 0.000 0.425 142 N N 0.636 119.325 118.700 -0.017 0.000 2.342 142 N HA 0.171 4.911 4.740 -0.000 0.000 0.293 142 N C -2.101 173.356 175.510 -0.089 0.000 1.026 142 N CA -1.748 51.264 53.050 -0.063 0.000 0.857 142 N CB 2.691 41.158 38.487 -0.033 0.000 1.256 142 N HN -0.122 nan 8.380 nan 0.000 0.484 143 P HA -0.075 nan 4.420 nan 0.000 0.223 143 P C 0.271 177.530 177.300 -0.069 0.000 1.151 143 P CA 1.377 64.358 63.100 -0.198 0.000 0.787 143 P CB 0.232 31.755 31.700 -0.296 0.000 0.788 144 H N -0.800 118.285 119.070 0.025 0.000 2.592 144 H HA 0.210 4.766 4.556 -0.000 0.000 0.265 144 H C 1.012 176.375 175.328 0.058 0.000 0.955 144 H CA -0.325 55.746 56.048 0.038 0.000 1.175 144 H CB 0.346 30.117 29.762 0.015 0.000 1.433 144 H HN 0.185 nan 8.280 nan 0.000 0.537 145 R N 0.158 120.759 120.500 0.167 0.000 2.728 145 R HA 0.334 4.674 4.340 -0.000 0.000 0.274 145 R C -1.800 174.616 176.300 0.192 0.000 1.030 145 R CA -0.967 55.215 56.100 0.138 0.000 0.876 145 R CB 1.269 31.571 30.300 0.003 0.000 1.259 145 R HN 0.027 nan 8.270 nan 0.000 0.468 146 F N -1.385 118.605 119.950 0.066 0.000 2.640 146 F HA 0.590 5.117 4.527 -0.000 0.000 0.324 146 F C -1.071 174.770 175.800 0.069 0.000 1.077 146 F CA -1.285 56.753 58.000 0.064 0.000 0.965 146 F CB 1.670 40.712 39.000 0.070 0.000 1.351 146 F HN 0.354 nan 8.300 nan 0.000 0.487 147 Q N 0.640 120.558 119.800 0.197 0.000 2.345 147 Q HA 0.338 4.678 4.340 -0.000 0.000 0.268 147 Q C -1.711 174.387 176.000 0.165 0.000 1.054 147 Q CA -0.952 54.845 55.803 -0.009 0.000 0.835 147 Q CB 2.574 31.200 28.738 -0.186 0.000 1.339 147 Q HN 0.553 nan 8.270 nan 0.000 0.447 148 D N 1.722 122.163 120.400 0.067 0.000 2.373 148 D HA 0.298 4.938 4.640 -0.000 0.000 0.227 148 D C -1.214 175.112 176.300 0.044 0.000 1.091 148 D CA -0.190 53.948 54.000 0.229 0.000 0.840 148 D CB 0.444 41.486 40.800 0.404 0.000 1.060 148 D HN 0.245 nan 8.370 nan 0.000 0.502 149 F N 2.966 122.881 119.950 -0.059 0.000 2.371 149 F HA 0.319 4.846 4.527 -0.000 0.000 0.363 149 F C 0.218 176.118 175.800 0.167 0.000 1.122 149 F CA -0.646 57.351 58.000 -0.005 0.000 1.129 149 F CB 0.402 39.099 39.000 -0.507 0.000 1.173 149 F HN 0.162 nan 8.300 nan 0.000 0.489 150 F N 4.187 124.385 119.950 0.412 0.000 2.410 150 F HA 0.227 4.754 4.527 -0.000 0.000 0.349 150 F C 0.903 176.821 175.800 0.195 0.000 1.117 150 F CA -0.637 57.538 58.000 0.292 0.000 1.104 150 F CB 1.358 40.398 39.000 0.067 0.000 1.122 150 F HN 0.350 nan 8.300 nan 0.000 0.483 151 L N 2.665 124.000 121.223 0.187 0.000 2.240 151 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 151 L C 1.323 178.145 176.870 -0.081 0.000 1.106 151 L CA 0.859 55.555 54.840 -0.239 0.000 0.793 151 L CB -0.715 41.325 42.059 -0.032 0.000 0.927 151 L HN 0.555 nan 8.230 nan 0.000 0.446 152 S N -1.284 114.464 115.700 0.080 0.000 2.589 152 S HA 0.221 4.691 4.470 -0.000 0.000 0.265 152 S C 0.375 175.013 174.600 0.063 0.000 1.342 152 S CA -0.150 58.091 58.200 0.067 0.000 1.005 152 S CB 0.806 64.062 63.200 0.093 0.000 0.909 152 S HN 0.320 nan 8.310 nan 0.000 0.555 153 S N 1.150 116.881 115.700 0.053 0.000 2.640 153 S HA 0.637 5.107 4.470 -0.000 0.000 0.320 153 S C -0.334 174.287 174.600 0.034 0.000 1.097 153 S CA -0.383 57.857 58.200 0.067 0.000 1.092 153 S CB -0.040 63.239 63.200 0.131 0.000 0.988 153 S HN 1.110 nan 8.310 nan 0.000 0.470 154 T N 1.271 115.835 114.554 0.015 0.000 2.831 154 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 154 T C 0.661 175.370 174.700 0.014 0.000 1.070 154 T CA -0.758 61.346 62.100 0.008 0.000 1.010 154 T CB 1.007 69.865 68.868 -0.017 0.000 1.264 154 T HN 0.415 nan 8.240 nan 0.000 0.532 155 E N -0.143 120.071 120.200 0.023 0.000 2.268 155 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 155 E C 2.068 178.684 176.600 0.026 0.000 0.995 155 E CA 0.855 57.270 56.400 0.025 0.000 0.836 155 E CB -0.188 29.530 29.700 0.029 0.000 0.763 155 E HN 0.694 nan 8.360 nan 0.000 0.491 156 A N 0.804 123.644 122.820 0.033 0.000 2.021 156 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 156 A C 0.785 178.366 177.584 -0.004 0.000 1.163 156 A CA 0.640 52.706 52.037 0.048 0.000 0.676 156 A CB 0.151 19.241 19.000 0.151 0.000 0.818 156 A HN 0.193 nan 8.150 nan 0.000 0.453 157 Q N -1.632 118.147 119.800 -0.036 0.000 2.522 157 Q HA 0.562 4.902 4.340 -0.000 0.000 0.285 157 Q C -1.306 174.689 176.000 -0.010 0.000 0.982 157 Q CA -0.693 55.087 55.803 -0.038 0.000 0.805 157 Q CB 0.525 29.207 28.738 -0.092 0.000 1.457 157 Q HN 0.313 nan 8.270 nan 0.000 0.394 158 Q N 0.495 120.296 119.800 0.001 0.000 2.259 158 Q HA 0.537 4.877 4.340 -0.000 0.000 0.246 158 Q C -0.444 175.577 176.000 0.036 0.000 0.920 158 Q CA -0.718 55.083 55.803 -0.003 0.000 0.895 158 Q CB 1.655 30.368 28.738 -0.041 0.000 1.220 158 Q HN 0.701 nan 8.270 nan 0.000 0.439 159 S N 0.698 116.416 115.700 0.031 0.000 2.564 159 S HA -0.001 4.469 4.470 -0.000 0.000 0.278 159 S C 0.633 175.263 174.600 0.050 0.000 1.333 159 S CA -0.379 57.836 58.200 0.024 0.000 1.048 159 S CB 0.266 63.524 63.200 0.096 0.000 0.900 159 S HN 0.615 nan 8.310 nan 0.000 0.505 160 Y N 3.587 124.024 120.300 0.228 0.000 2.651 160 Y HA 0.116 4.666 4.550 -0.000 0.000 0.296 160 Y C 1.353 177.361 175.900 0.180 0.000 1.150 160 Y CA 0.453 58.679 58.100 0.210 0.000 1.348 160 Y CB -0.824 37.856 38.460 0.367 0.000 0.983 160 Y HN 0.548 nan 8.280 nan 0.000 0.555 161 L N -0.086 121.299 121.223 0.270 0.000 2.275 161 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 161 L C 2.493 179.585 176.870 0.371 0.000 1.119 161 L CA 0.775 55.920 54.840 0.507 0.000 0.790 161 L CB -0.382 42.012 42.059 0.558 0.000 0.919 161 L HN 0.170 nan 8.230 nan 0.000 0.443 162 R N 0.243 120.747 120.500 0.006 0.000 2.237 162 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 162 R C 2.128 178.380 176.300 -0.081 0.000 1.080 162 R CA 1.043 56.988 56.100 -0.258 0.000 0.995 162 R CB -0.594 29.448 30.300 -0.430 0.000 0.875 162 R HN 0.392 nan 8.270 nan 0.000 0.462 163 G N -0.029 108.717 108.800 -0.090 0.000 2.471 163 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 163 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 163 G C 0.459 175.219 174.900 -0.233 0.000 1.125 163 G CA 0.043 45.024 45.100 -0.200 0.000 0.775 163 G HN 0.112 nan 8.290 nan 0.000 0.548 164 F N 1.404 121.434 119.950 0.134 0.000 2.371 164 F HA 0.389 4.916 4.527 -0.000 0.000 0.329 164 F C 1.304 177.170 175.800 0.110 0.000 1.107 164 F CA -0.857 57.221 58.000 0.130 0.000 1.137 164 F CB 1.249 40.355 39.000 0.176 0.000 1.214 164 F HN -0.014 nan 8.300 nan 0.000 0.536 165 S N 1.310 117.177 115.700 0.278 0.000 2.600 165 S HA 0.198 4.668 4.470 -0.000 0.000 0.265 165 S C 0.867 175.544 174.600 0.127 0.000 1.325 165 S CA -0.808 57.471 58.200 0.131 0.000 1.002 165 S CB 1.085 64.334 63.200 0.082 0.000 0.921 165 S HN 0.706 nan 8.310 nan 0.000 0.554 166 K N 0.955 121.330 120.400 -0.041 0.000 2.063 166 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 166 K C 1.973 178.614 176.600 0.068 0.000 1.048 166 K CA 1.493 57.712 56.287 -0.113 0.000 0.928 166 K CB -0.363 31.851 32.500 -0.478 0.000 0.713 166 K HN 0.523 nan 8.250 nan 0.000 0.442 167 N N 0.883 119.606 118.700 0.038 0.000 2.166 167 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 167 N C 1.730 177.286 175.510 0.078 0.000 1.019 167 N CA 1.045 54.129 53.050 0.057 0.000 0.856 167 N CB -0.018 38.488 38.487 0.032 0.000 0.993 167 N HN 0.110 nan 8.380 nan 0.000 0.426 168 I N 1.449 122.073 120.570 0.091 0.000 2.286 168 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 168 I C 2.376 178.540 176.117 0.077 0.000 1.104 168 I CA 0.651 61.986 61.300 0.058 0.000 1.397 168 I CB -1.139 36.902 38.000 0.067 0.000 1.072 168 I HN 0.091 nan 8.210 nan 0.000 0.417 169 L N 0.430 121.781 121.223 0.214 0.000 2.017 169 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 169 L C 2.577 179.652 176.870 0.342 0.000 1.073 169 L CA 1.496 56.550 54.840 0.357 0.000 0.745 169 L CB -0.573 41.832 42.059 0.577 0.000 0.894 169 L HN 0.271 nan 8.230 nan 0.000 0.432 170 E N 0.102 120.473 120.200 0.285 0.000 2.058 170 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 170 E C 2.275 178.960 176.600 0.142 0.000 0.997 170 E CA 1.265 57.801 56.400 0.226 0.000 0.801 170 E CB -0.214 29.596 29.700 0.184 0.000 0.746 170 E HN 0.512 nan 8.360 nan 0.000 0.450 171 A N 1.046 123.917 122.820 0.084 0.000 1.902 171 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 171 A C 2.359 179.928 177.584 -0.026 0.000 1.181 171 A CA 1.624 53.677 52.037 0.025 0.000 0.623 171 A CB -0.401 18.601 19.000 0.005 0.000 0.818 171 A HN 0.112 nan 8.150 nan 0.000 0.443 172 S N -0.911 114.742 115.700 -0.079 0.000 2.356 172 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 172 S C 1.238 175.638 174.600 -0.334 0.000 1.032 172 S CA 1.353 59.392 58.200 -0.268 0.000 1.005 172 S CB -0.415 62.519 63.200 -0.443 0.000 0.867 172 S HN 0.546 nan 8.310 nan 0.000 0.449 173 F N 1.291 121.240 119.950 -0.002 0.000 2.765 173 F HA 0.255 4.782 4.527 -0.000 0.000 0.302 173 F C 0.631 176.426 175.800 -0.009 0.000 1.111 173 F CA -0.420 57.574 58.000 -0.010 0.000 1.359 173 F CB -0.305 38.685 39.000 -0.017 0.000 1.097 173 F HN 0.006 nan 8.300 nan 0.000 0.577 174 D N 1.288 121.761 120.400 0.121 0.000 2.735 174 D HA -0.229 4.411 4.640 -0.000 0.000 0.235 174 D C -0.185 176.169 176.300 0.090 0.000 1.175 174 D CA 0.893 54.940 54.000 0.079 0.000 0.683 174 D CB -0.806 40.022 40.800 0.046 0.000 1.008 174 D HN 0.237 nan 8.370 nan 0.000 0.416 175 S N -0.024 115.743 115.700 0.112 0.000 2.587 175 S HA 0.390 4.860 4.470 -0.000 0.000 0.269 175 S C -1.516 173.137 174.600 0.089 0.000 1.154 175 S CA -0.414 57.832 58.200 0.077 0.000 0.824 175 S CB 1.190 64.419 63.200 0.049 0.000 1.118 175 S HN 0.251 nan 8.310 nan 0.000 0.462 176 D N 1.606 122.043 120.400 0.062 0.000 2.372 176 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 176 D C 1.074 177.439 176.300 0.109 0.000 1.121 176 D CA -0.375 53.680 54.000 0.093 0.000 0.898 176 D CB 0.362 41.200 40.800 0.063 0.000 1.202 176 D HN 0.495 nan 8.370 nan 0.000 0.428 177 F N 1.253 121.227 119.950 0.039 0.000 2.216 177 F HA -0.148 4.379 4.527 0.000 0.000 0.300 177 F C 2.497 178.308 175.800 0.019 0.000 1.085 177 F CA 1.418 59.447 58.000 0.049 0.000 1.326 177 F CB 0.048 39.099 39.000 0.086 0.000 1.027 177 F HN 0.402 nan 8.300 nan 0.000 0.497 178 K N 0.641 121.072 120.400 0.051 0.000 2.044 178 K HA -0.321 3.999 4.320 -0.000 0.000 0.210 178 K C 2.193 178.691 176.600 -0.171 0.000 1.049 178 K CA 2.189 58.454 56.287 -0.038 0.000 0.927 178 K CB -0.475 32.039 32.500 0.023 0.000 0.713 178 K HN 0.501 nan 8.250 nan 0.000 0.443 179 E N 0.463 120.572 120.200 -0.152 0.000 2.047 179 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 179 E C 2.143 178.548 176.600 -0.325 0.000 0.987 179 E CA 1.239 57.526 56.400 -0.189 0.000 0.799 179 E CB -0.101 29.520 29.700 -0.131 0.000 0.752 179 E HN 0.397 nan 8.360 nan 0.000 0.449 180 I N 1.352 121.676 120.570 -0.410 0.000 2.163 180 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 180 I C 2.526 178.121 176.117 -0.870 0.000 1.085 180 I CA 1.480 62.404 61.300 -0.625 0.000 1.347 180 I CB -0.502 37.184 38.000 -0.524 0.000 1.044 180 I HN 0.222 nan 8.210 nan 0.000 0.408 181 N N 1.066 119.213 118.700 -0.922 0.000 2.120 181 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 181 N C 2.020 177.299 175.510 -0.383 0.000 1.024 181 N CA 1.462 54.105 53.050 -0.680 0.000 0.852 181 N CB -0.150 37.970 38.487 -0.612 0.000 1.003 181 N HN 0.131 nan 8.380 nan 0.000 0.424 182 R N -0.246 120.063 120.500 -0.318 0.000 2.073 182 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 182 R C 1.736 177.905 176.300 -0.219 0.000 1.134 182 R CA 1.473 57.453 56.100 -0.200 0.000 0.952 182 R CB -0.245 29.961 30.300 -0.158 0.000 0.850 182 R HN 0.142 nan 8.270 nan 0.000 0.433 183 V N 0.777 120.510 119.914 -0.301 0.000 2.407 183 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 183 V C 2.072 177.973 176.094 -0.322 0.000 1.041 183 V CA 1.460 63.589 62.300 -0.286 0.000 1.040 183 V CB -0.141 31.498 31.823 -0.306 0.000 0.671 183 V HN 0.326 nan 8.190 nan 0.000 0.455 184 L N -2.530 118.384 121.223 -0.516 0.000 2.537 184 L HA 0.218 4.558 4.340 -0.000 0.000 0.224 184 L C 1.975 178.702 176.870 -0.239 0.000 1.065 184 L CA 0.431 54.972 54.840 -0.498 0.000 0.860 184 L CB -0.106 41.482 42.059 -0.785 0.000 1.086 184 L HN 0.242 nan 8.230 nan 0.000 0.482 185 F N 0.313 120.188 119.950 -0.125 0.000 2.482 185 F HA 0.412 4.939 4.527 0.000 0.000 0.278 185 F C 1.637 177.402 175.800 -0.058 0.000 0.969 185 F CA -0.191 57.766 58.000 -0.072 0.000 1.223 185 F CB -1.306 37.663 39.000 -0.051 0.000 1.140 185 F HN -0.029 nan 8.300 nan 0.000 0.672 186 G N 2.595 111.462 108.800 0.111 0.000 2.296 186 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.263 186 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.263 186 G C -0.295 174.645 174.900 0.066 0.000 0.887 186 G CA 0.325 45.453 45.100 0.047 0.000 1.318 186 G HN 0.416 nan 8.290 nan 0.000 0.403 196 E N 0.928 121.130 120.200 0.004 0.000 4.220 196 E HA -0.101 4.249 4.350 -0.000 0.000 0.160 196 E C -0.413 176.189 176.600 0.004 0.000 1.630 196 E CA 0.915 57.319 56.400 0.007 0.000 0.960 196 E CB -1.517 28.189 29.700 0.010 0.000 1.061 196 E HN 0.225 nan 8.360 nan 0.000 0.360 197 S N 3.073 118.772 115.700 -0.001 0.000 2.470 197 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 197 S C 0.759 175.357 174.600 -0.004 0.000 1.024 197 S CA 0.430 58.625 58.200 -0.008 0.000 0.931 197 S CB 0.137 63.325 63.200 -0.020 0.000 0.791 197 S HN 0.466 nan 8.310 nan 0.000 0.513 198 R N 1.966 122.468 120.500 0.004 0.000 2.784 198 R HA 0.158 4.498 4.340 -0.000 0.000 0.266 198 R C 0.203 176.512 176.300 0.015 0.000 1.044 198 R CA 0.095 56.200 56.100 0.009 0.000 1.151 198 R CB 0.296 30.608 30.300 0.020 0.000 1.037 198 R HN 0.238 nan 8.270 nan 0.000 0.478 199 E N 1.447 121.657 120.200 0.017 0.000 2.342 199 E HA -0.045 4.305 4.350 -0.000 0.000 0.257 199 E C 0.659 177.287 176.600 0.046 0.000 1.150 199 E CA -0.051 56.368 56.400 0.032 0.000 0.926 199 E CB 0.774 30.491 29.700 0.027 0.000 1.074 199 E HN 0.587 nan 8.360 nan 0.000 0.449 200 E N -0.020 120.226 120.200 0.076 0.000 2.051 200 E HA -0.007 4.343 4.350 -0.000 0.000 0.189 200 E C 0.559 177.225 176.600 0.110 0.000 0.979 200 E CA 0.713 57.163 56.400 0.084 0.000 0.803 200 E CB 0.258 30.014 29.700 0.093 0.000 0.761 200 E HN 0.499 nan 8.360 nan 0.000 0.451 201 G N -0.816 108.072 108.800 0.147 0.000 2.866 201 G HA2 0.291 4.251 3.960 -0.000 0.000 0.289 201 G HA3 0.291 4.251 3.960 -0.000 0.000 0.289 201 G C 0.334 175.180 174.900 -0.089 0.000 1.396 201 G CA 0.001 45.196 45.100 0.159 0.000 0.848 201 G HN 0.111 nan 8.290 nan 0.000 0.515 202 V N -2.017 117.565 119.914 -0.555 0.000 3.510 202 V HA 0.392 4.512 4.120 -0.000 0.000 0.270 202 V C 0.566 176.503 176.094 -0.261 0.000 1.201 202 V CA 0.547 62.508 62.300 -0.565 0.000 1.166 202 V CB -1.225 29.919 31.823 -1.131 0.000 0.825 202 V HN 0.361 nan 8.190 nan 0.000 0.484 203 I N 2.084 122.613 120.570 -0.069 0.000 2.439 203 I HA 0.570 4.740 4.170 -0.000 0.000 0.285 203 I C -0.496 175.758 176.117 0.228 0.000 1.021 203 I CA -0.842 60.555 61.300 0.162 0.000 1.091 203 I CB 1.930 40.141 38.000 0.352 0.000 1.242 203 I HN 0.115 nan 8.210 nan 0.000 0.439 204 V N 1.915 121.873 119.914 0.074 0.000 3.113 204 V HA 0.614 4.734 4.120 -0.000 0.000 0.316 204 V C -0.528 175.369 176.094 -0.329 0.000 1.125 204 V CA -0.752 61.504 62.300 -0.075 0.000 1.026 204 V CB 2.071 33.868 31.823 -0.042 0.000 1.080 204 V HN 0.793 nan 8.190 nan 0.000 0.444 205 E N 1.059 120.894 120.200 -0.607 0.000 2.191 205 E HA 0.657 5.007 4.350 -0.000 0.000 0.278 205 E C -1.415 175.036 176.600 -0.248 0.000 0.972 205 E CA -0.714 55.363 56.400 -0.538 0.000 0.804 205 E CB 1.702 30.915 29.700 -0.811 0.000 1.110 205 E HN 0.735 nan 8.360 nan 0.000 0.394 206 L N 2.893 124.026 121.223 -0.151 0.000 2.313 206 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 206 L C 0.003 176.836 176.870 -0.063 0.000 1.010 206 L CA -1.120 53.668 54.840 -0.087 0.000 0.814 206 L CB 1.688 43.715 42.059 -0.054 0.000 1.304 206 L HN 0.451 nan 8.230 nan 0.000 0.441 207 K N 0.537 120.912 120.400 -0.043 0.000 2.118 207 K HA 0.305 4.625 4.320 -0.000 0.000 0.264 207 K C 0.785 177.375 176.600 -0.017 0.000 1.000 207 K CA -0.771 55.500 56.287 -0.027 0.000 0.929 207 K CB 1.213 33.700 32.500 -0.022 0.000 1.021 207 K HN 0.432 nan 8.250 nan 0.000 0.463 208 R N 1.995 122.489 120.500 -0.010 0.000 2.113 208 R HA -0.251 4.089 4.340 -0.000 0.000 0.244 208 R C 1.949 178.249 176.300 0.001 0.000 1.142 208 R CA 2.303 58.402 56.100 -0.003 0.000 0.953 208 R CB -0.434 29.866 30.300 -0.001 0.000 0.860 208 R HN 0.851 nan 8.270 nan 0.000 0.438 209 E N 0.978 121.177 120.200 -0.002 0.000 2.097 209 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 209 E C 1.914 178.516 176.600 0.003 0.000 1.000 209 E CA 1.279 57.680 56.400 0.001 0.000 0.804 209 E CB -0.380 29.319 29.700 -0.002 0.000 0.740 209 E HN 0.461 nan 8.360 nan 0.000 0.454 210 Q N 0.239 120.037 119.800 -0.004 0.000 2.046 210 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 210 Q C 2.437 178.443 176.000 0.011 0.000 0.975 210 Q CA 1.308 57.109 55.803 -0.004 0.000 0.836 210 Q CB -0.076 28.650 28.738 -0.020 0.000 0.896 210 Q HN 0.363 nan 8.270 nan 0.000 0.428 211 I N 1.393 121.971 120.570 0.013 0.000 2.091 211 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 211 I C 2.348 178.487 176.117 0.037 0.000 1.061 211 I CA 1.550 62.867 61.300 0.029 0.000 1.317 211 I CB -1.350 36.663 38.000 0.022 0.000 1.031 211 I HN 0.342 nan 8.210 nan 0.000 0.401 212 Q N 0.331 120.147 119.800 0.026 0.000 2.135 212 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 212 Q C 2.032 178.054 176.000 0.037 0.000 0.981 212 Q CA 1.480 57.298 55.803 0.026 0.000 0.856 212 Q CB -0.617 28.131 28.738 0.016 0.000 0.902 212 Q HN 0.505 nan 8.270 nan 0.000 0.425 213 E N 0.851 121.074 120.200 0.038 0.000 2.204 213 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 213 E C 1.610 178.258 176.600 0.079 0.000 0.989 213 E CA 0.554 56.985 56.400 0.052 0.000 0.824 213 E CB -0.085 29.635 29.700 0.033 0.000 0.756 213 E HN 0.331 nan 8.360 nan 0.000 0.477 214 L N -0.219 121.053 121.223 0.082 0.000 2.591 214 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 214 L C 1.769 178.707 176.870 0.112 0.000 1.133 214 L CA -0.031 54.884 54.840 0.124 0.000 0.880 214 L CB -0.056 42.100 42.059 0.160 0.000 1.033 214 L HN 0.215 nan 8.230 nan 0.000 0.450 215 M N -0.144 119.505 119.600 0.081 0.000 2.615 215 M HA -0.014 4.466 4.480 -0.000 0.000 0.262 215 M C 2.173 178.499 176.300 0.044 0.000 1.198 215 M CA 0.801 56.132 55.300 0.053 0.000 1.165 215 M CB -0.094 32.527 32.600 0.034 0.000 1.310 215 M HN 0.219 nan 8.290 nan 0.000 0.494 216 K N -0.054 120.383 120.400 0.061 0.000 2.052 216 K HA -0.238 4.082 4.320 -0.000 0.000 0.215 216 K C 0.995 177.548 176.600 -0.078 0.000 1.053 216 K CA 2.266 58.558 56.287 0.009 0.000 0.934 216 K CB -0.765 31.769 32.500 0.057 0.000 0.717 216 K HN 0.346 nan 8.250 nan 0.000 0.450 217 H N 0.386 119.441 119.070 -0.024 0.000 2.551 217 H HA 0.393 4.949 4.556 0.000 0.000 0.271 217 H C -0.037 175.237 175.328 -0.091 0.000 0.984 217 H CA 0.176 56.194 56.048 -0.049 0.000 1.164 217 H CB 0.414 30.147 29.762 -0.047 0.000 1.437 217 H HN 0.426 nan 8.280 nan 0.000 0.550 218 A N 1.452 124.277 122.820 0.008 0.000 2.492 218 A HA 0.162 4.482 4.320 -0.000 0.000 0.254 218 A C 0.196 177.740 177.584 -0.066 0.000 1.091 218 A CA -0.246 51.754 52.037 -0.061 0.000 0.768 218 A CB 0.122 19.106 19.000 -0.027 0.000 1.028 218 A HN 0.325 nan 8.150 nan 0.000 0.498 219 K N 1.738 122.076 120.400 -0.104 0.000 2.118 219 K HA 0.478 4.798 4.320 -0.000 0.000 0.264 219 K C -0.327 176.299 176.600 0.043 0.000 1.000 219 K CA -0.226 56.049 56.287 -0.021 0.000 0.929 219 K CB 1.256 33.755 32.500 -0.001 0.000 1.021 219 K HN 0.618 nan 8.250 nan 0.000 0.463 220 S N 0.524 116.250 115.700 0.043 0.000 2.509 220 S HA 0.077 4.547 4.470 -0.000 0.000 0.297 220 S C 0.989 175.638 174.600 0.080 0.000 1.118 220 S CA -0.679 57.545 58.200 0.041 0.000 1.074 220 S CB 1.779 64.996 63.200 0.028 0.000 1.038 220 S HN 0.676 nan 8.310 nan 0.000 0.498 221 S N 2.225 117.987 115.700 0.103 0.000 2.368 221 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 221 S C 0.757 175.434 174.600 0.128 0.000 1.030 221 S CA 1.285 59.590 58.200 0.174 0.000 0.999 221 S CB -0.357 63.081 63.200 0.397 0.000 0.844 221 S HN 1.054 nan 8.310 nan 0.000 0.459 222 S N 1.200 116.965 115.700 0.108 0.000 3.407 222 S HA -0.176 4.294 4.470 -0.000 0.000 0.394 222 S C 1.113 175.752 174.600 0.065 0.000 0.801 222 S CA 0.629 58.873 58.200 0.073 0.000 1.347 222 S CB -0.537 62.696 63.200 0.055 0.000 1.257 222 S HN 0.702 nan 8.310 nan 0.000 0.618 223 R N 5.364 125.897 120.500 0.056 0.000 2.133 223 R HA -0.235 4.105 4.340 -0.000 0.000 0.247 223 R C 1.945 178.266 176.300 0.035 0.000 1.151 223 R CA 2.439 58.563 56.100 0.040 0.000 0.971 223 R CB -1.280 29.035 30.300 0.025 0.000 0.866 223 R HN 0.915 nan 8.270 nan 0.000 0.447 224 K N 0.647 121.067 120.400 0.032 0.000 2.148 224 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 224 K C 0.623 177.240 176.600 0.028 0.000 1.050 224 K CA 0.663 56.966 56.287 0.027 0.000 0.942 224 K CB 0.013 32.526 32.500 0.023 0.000 0.724 224 K HN 0.295 nan 8.250 nan 0.000 0.446 225 E N 0.573 120.793 120.200 0.035 0.000 2.421 225 E HA 0.111 4.461 4.350 -0.000 0.000 0.253 225 E C -0.913 175.709 176.600 0.037 0.000 1.277 225 E CA -0.623 55.799 56.400 0.036 0.000 0.968 225 E CB 0.505 30.230 29.700 0.043 0.000 1.040 225 E HN 0.014 nan 8.360 nan 0.000 0.512 226 L N 1.772 123.016 121.223 0.035 0.000 2.257 226 L HA 0.119 4.459 4.340 -0.000 0.000 0.290 226 L C -0.182 176.713 176.870 0.042 0.000 1.044 226 L CA 0.240 55.099 54.840 0.033 0.000 0.810 226 L CB 0.744 42.819 42.059 0.026 0.000 1.193 226 L HN 0.461 nan 8.230 nan 0.000 0.425 227 S N 2.288 118.015 115.700 0.045 0.000 2.593 227 S HA 0.449 4.919 4.470 -0.000 0.000 0.269 227 S C 0.157 174.785 174.600 0.046 0.000 1.334 227 S CA -0.730 57.505 58.200 0.057 0.000 1.015 227 S CB 0.790 64.027 63.200 0.062 0.000 0.912 227 S HN 0.581 nan 8.310 nan 0.000 0.541 228 S N 2.344 118.079 115.700 0.057 0.000 2.474 228 S HA 0.237 4.707 4.470 -0.000 0.000 0.321 228 S C 0.931 175.551 174.600 0.033 0.000 1.080 228 S CA -0.793 57.434 58.200 0.046 0.000 1.106 228 S CB 1.491 64.730 63.200 0.065 0.000 0.984 228 S HN 0.679 nan 8.310 nan 0.000 0.464 229 Q N 2.104 121.906 119.800 0.004 0.000 2.325 229 Q HA -0.177 4.163 4.340 -0.000 0.000 0.211 229 Q C 1.161 177.148 176.000 -0.021 0.000 0.988 229 Q CA 1.327 57.111 55.803 -0.032 0.000 0.887 229 Q CB -0.314 28.396 28.738 -0.046 0.000 0.915 229 Q HN 0.837 nan 8.270 nan 0.000 0.440 230 D N -0.791 119.613 120.400 0.007 0.000 2.340 230 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 230 D C -0.022 176.271 176.300 -0.012 0.000 1.081 230 D CA 0.003 54.008 54.000 0.010 0.000 0.842 230 D CB 0.294 41.104 40.800 0.018 0.000 0.934 230 D HN 0.195 nan 8.370 nan 0.000 0.511 231 E N 0.629 120.824 120.200 -0.007 0.000 2.264 231 E HA 0.410 4.760 4.350 -0.000 0.000 0.260 231 E C -2.635 173.940 176.600 -0.041 0.000 0.961 231 E CA -2.482 53.824 56.400 -0.156 0.000 0.834 231 E CB 1.382 31.053 29.700 -0.047 0.000 1.230 231 E HN -0.112 nan 8.360 nan 0.000 0.412 232 P HA -0.095 nan 4.420 nan 0.000 0.263 232 P C -1.181 176.252 177.300 0.222 0.000 1.175 232 P CA 0.736 63.795 63.100 -0.067 0.000 0.761 232 P CB 0.071 31.657 31.700 -0.190 0.000 0.794 233 F N 0.136 120.152 119.950 0.111 0.000 2.577 233 F HA 0.593 5.120 4.527 -0.000 0.000 0.318 233 F C -0.464 175.276 175.800 -0.101 0.000 1.065 233 F CA -1.414 56.609 58.000 0.038 0.000 0.929 233 F CB 1.518 40.525 39.000 0.011 0.000 1.237 233 F HN 0.119 nan 8.300 nan 0.000 0.468 234 N N 3.031 121.623 118.700 -0.180 0.000 2.483 234 N HA 0.355 5.095 4.740 -0.000 0.000 0.267 234 N C 0.764 176.203 175.510 -0.118 0.000 0.998 234 N CA -0.789 52.029 53.050 -0.387 0.000 0.918 234 N CB 1.380 39.388 38.487 -0.799 0.000 1.215 234 N HN 0.940 nan 8.380 nan 0.000 0.500 235 L N 1.710 122.921 121.223 -0.020 0.000 2.353 235 L HA 0.055 4.395 4.340 -0.000 0.000 0.220 235 L C 1.437 178.258 176.870 -0.081 0.000 1.133 235 L CA 0.858 55.729 54.840 0.051 0.000 0.798 235 L CB -0.089 42.051 42.059 0.136 0.000 0.922 235 L HN 0.463 nan 8.230 nan 0.000 0.445 236 R N 0.384 120.709 120.500 -0.293 0.000 2.307 236 R HA 0.050 4.390 4.340 -0.000 0.000 0.199 236 R C 0.865 176.921 176.300 -0.407 0.000 1.000 236 R CA 0.457 56.146 56.100 -0.686 0.000 1.023 236 R CB -0.258 29.656 30.300 -0.643 0.000 0.908 236 R HN 0.485 nan 8.270 nan 0.000 0.473 237 N N 0.505 119.096 118.700 -0.183 0.000 2.322 237 N HA -0.018 4.722 4.740 -0.000 0.000 0.194 237 N C 0.014 175.533 175.510 0.014 0.000 1.126 237 N CA 0.232 53.237 53.050 -0.075 0.000 0.845 237 N CB 0.631 39.078 38.487 -0.066 0.000 0.976 237 N HN 0.137 nan 8.380 nan 0.000 0.475 238 S N -0.721 115.018 115.700 0.066 0.000 2.681 238 S HA 0.344 4.814 4.470 -0.000 0.000 0.299 238 S C 0.021 174.738 174.600 0.195 0.000 1.113 238 S CA -0.897 57.371 58.200 0.113 0.000 1.013 238 S CB 2.277 65.540 63.200 0.104 0.000 1.076 238 S HN 0.006 nan 8.310 nan 0.000 0.534 239 K N 1.283 121.749 120.400 0.111 0.000 2.368 239 K HA 0.266 4.586 4.320 -0.000 0.000 0.282 239 K C -2.505 174.107 176.600 0.020 0.000 1.035 239 K CA -1.495 54.836 56.287 0.073 0.000 0.973 239 K CB -0.168 32.346 32.500 0.022 0.000 0.957 239 K HN 0.371 nan 8.250 nan 0.000 0.474 240 P HA -0.047 nan 4.420 nan 0.000 0.268 240 P C 0.594 177.765 177.300 -0.215 0.000 1.205 240 P CA 0.001 62.907 63.100 -0.323 0.000 0.771 240 P CB 0.406 31.797 31.700 -0.514 0.000 0.858 241 I N -0.691 119.692 120.570 -0.312 0.000 2.500 241 I HA -0.004 4.166 4.170 -0.000 0.000 0.252 241 I C -0.156 175.726 176.117 -0.391 0.000 1.142 241 I CA 1.086 62.119 61.300 -0.445 0.000 1.451 241 I CB -0.356 37.178 38.000 -0.777 0.000 1.093 241 I HN 0.083 nan 8.210 nan 0.000 0.430 242 Y N 0.661 120.835 120.300 -0.210 0.000 2.462 242 Y HA 0.745 5.295 4.550 -0.000 0.000 0.346 242 Y C -0.119 175.816 175.900 0.058 0.000 0.976 242 Y CA -2.007 55.988 58.100 -0.174 0.000 1.044 242 Y CB 1.714 39.895 38.460 -0.465 0.000 1.230 242 Y HN -0.014 nan 8.280 nan 0.000 0.455 243 S N 2.599 118.465 115.700 0.278 0.000 2.590 243 S HA 0.639 5.109 4.470 -0.000 0.000 0.286 243 S C -1.579 173.119 174.600 0.162 0.000 1.147 243 S CA -0.616 57.693 58.200 0.180 0.000 0.963 243 S CB 0.334 63.552 63.200 0.030 0.000 1.124 243 S HN 0.983 nan 8.310 nan 0.000 0.458 244 N N 2.550 121.341 118.700 0.151 0.000 3.364 244 N HA 0.358 5.098 4.740 -0.000 0.000 0.294 244 N C 0.384 175.887 175.510 -0.013 0.000 1.562 244 N CA -0.840 52.266 53.050 0.092 0.000 0.862 244 N CB 0.134 38.725 38.487 0.173 0.000 1.691 244 N HN 0.389 nan 8.380 nan 0.000 0.572 245 K N -0.927 119.407 120.400 -0.109 0.000 2.160 245 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 245 K C 0.402 176.722 176.600 -0.467 0.000 1.047 245 K CA 1.703 57.781 56.287 -0.349 0.000 0.930 245 K CB -0.320 31.835 32.500 -0.575 0.000 0.720 245 K HN 0.477 nan 8.250 nan 0.000 0.450 246 F N -0.650 119.285 119.950 -0.024 0.000 2.656 246 F HA 0.269 4.796 4.527 -0.000 0.000 0.291 246 F C 1.161 176.779 175.800 -0.303 0.000 1.122 246 F CA 0.395 58.351 58.000 -0.074 0.000 1.427 246 F CB 0.930 39.953 39.000 0.038 0.000 1.125 246 F HN 0.058 nan 8.300 nan 0.000 0.583 247 G N 0.046 108.617 108.800 -0.382 0.000 2.547 247 G HA2 0.569 4.529 3.960 -0.000 0.000 0.291 247 G HA3 0.569 4.529 3.960 -0.000 0.000 0.291 247 G C -1.722 172.771 174.900 -0.680 0.000 1.471 247 G CA -1.177 43.331 45.100 -0.988 0.000 0.798 247 G HN 0.105 nan 8.290 nan 0.000 0.504 248 R N -0.981 119.273 120.500 -0.410 0.000 2.725 248 R HA 0.711 5.051 4.340 -0.000 0.000 0.277 248 R C -1.879 174.476 176.300 0.093 0.000 0.987 248 R CA -1.178 54.903 56.100 -0.033 0.000 0.901 248 R CB 2.526 32.725 30.300 -0.168 0.000 1.207 248 R HN 0.507 nan 8.270 nan 0.000 0.463 249 W N 4.070 125.307 121.300 -0.106 0.000 2.554 249 W HA 0.405 5.065 4.660 -0.000 0.000 0.324 249 W C -1.807 174.465 176.519 -0.411 0.000 1.018 249 W CA -1.469 55.783 57.345 -0.156 0.000 1.243 249 W CB 1.227 30.674 29.460 -0.022 0.000 1.345 249 W HN 0.644 nan 8.180 nan 0.000 0.441 250 Y N 3.416 123.776 120.300 0.101 0.000 2.361 250 Y HA 0.446 4.996 4.550 -0.000 0.000 0.332 250 Y C 0.217 176.176 175.900 0.099 0.000 1.101 250 Y CA -0.433 57.704 58.100 0.061 0.000 1.137 250 Y CB 1.828 40.279 38.460 -0.014 0.000 1.207 250 Y HN 0.416 nan 8.280 nan 0.000 0.463 251 E N 2.821 123.141 120.200 0.201 0.000 2.354 251 E HA 0.462 4.812 4.350 -0.000 0.000 0.283 251 E C -1.790 174.848 176.600 0.063 0.000 0.938 251 E CA -0.635 55.833 56.400 0.113 0.000 0.777 251 E CB 1.471 31.195 29.700 0.040 0.000 1.222 251 E HN 0.675 nan 8.360 nan 0.000 0.423 252 M N 2.868 122.531 119.600 0.105 0.000 2.321 252 M HA 0.389 4.869 4.480 -0.000 0.000 0.315 252 M C -0.609 175.768 176.300 0.128 0.000 1.052 252 M CA -0.594 54.769 55.300 0.106 0.000 0.936 252 M CB 2.169 34.874 32.600 0.175 0.000 1.639 252 M HN 0.698 nan 8.290 nan 0.000 0.433 253 T N -1.060 113.536 114.554 0.070 0.000 2.940 253 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 253 T C -2.244 172.503 174.700 0.079 0.000 1.045 253 T CA -1.733 60.434 62.100 0.112 0.000 1.018 253 T CB 1.536 70.430 68.868 0.043 0.000 1.151 253 T HN 0.421 nan 8.240 nan 0.000 0.529 254 P HA -0.032 nan 4.420 nan 0.000 0.222 254 P C 0.752 178.063 177.300 0.019 0.000 1.147 254 P CA 0.969 64.102 63.100 0.056 0.000 0.790 254 P CB 0.140 31.888 31.700 0.080 0.000 0.780 255 E N 0.605 120.818 120.200 0.021 0.000 2.204 255 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 255 E C 1.567 178.157 176.600 -0.017 0.000 0.989 255 E CA 1.214 57.616 56.400 0.003 0.000 0.824 255 E CB -0.444 29.257 29.700 0.003 0.000 0.756 255 E HN 0.395 nan 8.360 nan 0.000 0.477 256 K N -0.272 120.112 120.400 -0.026 0.000 2.358 256 K HA 0.176 4.496 4.320 -0.000 0.000 0.200 256 K C 0.181 176.724 176.600 -0.095 0.000 1.030 256 K CA -0.096 56.162 56.287 -0.048 0.000 1.097 256 K CB 0.520 32.998 32.500 -0.037 0.000 0.862 256 K HN -0.086 nan 8.250 nan 0.000 0.534 257 N N 0.567 119.196 118.700 -0.118 0.000 2.425 257 N HA 0.118 4.858 4.740 -0.000 0.000 0.289 257 N C -2.517 172.898 175.510 -0.159 0.000 1.074 257 N CA -1.620 51.295 53.050 -0.225 0.000 0.905 257 N CB 2.067 40.296 38.487 -0.430 0.000 1.586 257 N HN -0.254 nan 8.380 nan 0.000 0.490 258 P HA -0.116 nan 4.420 nan 0.000 0.217 258 P C 0.827 178.092 177.300 -0.059 0.000 1.151 258 P CA 1.233 64.286 63.100 -0.078 0.000 0.828 258 P CB 0.758 32.420 31.700 -0.063 0.000 0.788 259 Q N -0.790 118.954 119.800 -0.092 0.000 2.084 259 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 259 Q C 2.201 178.227 176.000 0.042 0.000 0.978 259 Q CA 1.026 56.828 55.803 -0.003 0.000 0.844 259 Q CB -0.515 28.265 28.738 0.069 0.000 0.898 259 Q HN 0.171 nan 8.270 nan 0.000 0.426 260 L N 1.030 122.256 121.223 0.005 0.000 2.093 260 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 260 L C 2.195 179.105 176.870 0.067 0.000 1.085 260 L CA 1.661 56.551 54.840 0.082 0.000 0.755 260 L CB -0.643 41.459 42.059 0.073 0.000 0.904 260 L HN 0.110 nan 8.230 nan 0.000 0.435 261 K N -0.340 120.075 120.400 0.025 0.000 2.057 261 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 261 K C 1.821 178.442 176.600 0.035 0.000 1.050 261 K CA 1.662 57.966 56.287 0.029 0.000 0.935 261 K CB -0.070 32.433 32.500 0.006 0.000 0.715 261 K HN 0.233 nan 8.250 nan 0.000 0.439 262 D N 0.361 120.778 120.400 0.028 0.000 2.178 262 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 262 D C 1.628 177.954 176.300 0.044 0.000 0.980 262 D CA 1.058 55.074 54.000 0.028 0.000 0.842 262 D CB 0.122 40.933 40.800 0.019 0.000 0.948 262 D HN 0.252 nan 8.370 nan 0.000 0.472 263 L N -0.742 120.522 121.223 0.068 0.000 2.554 263 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 263 L C 0.294 177.226 176.870 0.103 0.000 1.104 263 L CA 0.118 55.015 54.840 0.095 0.000 0.866 263 L CB -0.106 42.028 42.059 0.126 0.000 1.047 263 L HN -0.032 nan 8.230 nan 0.000 0.468 264 D N 1.053 121.503 120.400 0.084 0.000 2.737 264 D HA -0.169 4.471 4.640 -0.000 0.000 0.238 264 D C -0.997 175.346 176.300 0.071 0.000 1.157 264 D CA 0.341 54.389 54.000 0.079 0.000 0.694 264 D CB -0.650 40.194 40.800 0.072 0.000 1.021 264 D HN -0.035 nan 8.370 nan 0.000 0.420 265 V N 1.987 121.955 119.914 0.090 0.000 2.888 265 V HA 0.704 4.824 4.120 -0.000 0.000 0.309 265 V C 0.197 176.384 176.094 0.155 0.000 1.114 265 V CA -0.937 61.394 62.300 0.052 0.000 0.940 265 V CB 1.868 33.750 31.823 0.097 0.000 1.021 265 V HN 0.246 nan 8.190 nan 0.000 0.426 266 F N 3.890 123.913 119.950 0.123 0.000 2.541 266 F HA 0.949 5.476 4.527 0.000 0.000 0.331 266 F C -0.427 175.433 175.800 0.099 0.000 1.057 266 F CA -1.181 56.885 58.000 0.109 0.000 0.975 266 F CB 1.655 40.702 39.000 0.077 0.000 1.246 266 F HN 0.464 nan 8.300 nan 0.000 0.484 267 I N 0.230 121.095 120.570 0.492 0.000 2.608 267 I HA 0.749 4.919 4.170 -0.000 0.000 0.295 267 I C -1.198 174.938 176.117 0.032 0.000 1.049 267 I CA -0.731 60.648 61.300 0.133 0.000 1.063 267 I CB 2.172 40.275 38.000 0.172 0.000 1.248 267 I HN 0.610 nan 8.210 nan 0.000 0.424 268 S N 2.970 118.457 115.700 -0.354 0.000 2.568 268 S HA 0.659 5.129 4.470 -0.000 0.000 0.293 268 S C -0.645 173.580 174.600 -0.625 0.000 1.089 268 S CA -0.737 57.275 58.200 -0.314 0.000 0.945 268 S CB 1.901 65.007 63.200 -0.156 0.000 1.077 268 S HN 0.718 nan 8.310 nan 0.000 0.485 269 S N 1.704 117.153 115.700 -0.419 0.000 2.776 269 S HA 0.561 5.031 4.470 -0.000 0.000 0.284 269 S C -1.334 173.005 174.600 -0.434 0.000 1.160 269 S CA -0.465 57.561 58.200 -0.291 0.000 1.051 269 S CB 0.328 63.529 63.200 0.002 0.000 1.037 269 S HN 0.482 nan 8.310 nan 0.000 0.485 270 V N 4.654 124.066 119.914 -0.837 0.000 2.448 270 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 270 V C -0.751 175.044 176.094 -0.498 0.000 1.025 270 V CA -0.894 60.897 62.300 -0.847 0.000 0.859 270 V CB 1.838 32.739 31.823 -1.538 0.000 0.988 270 V HN 0.735 nan 8.190 nan 0.000 0.431 271 D N 5.312 125.572 120.400 -0.233 0.000 2.193 271 D HA 0.689 5.329 4.640 -0.000 0.000 0.244 271 D C -0.383 175.787 176.300 -0.215 0.000 1.064 271 D CA -0.054 53.858 54.000 -0.147 0.000 0.845 271 D CB 1.915 42.679 40.800 -0.059 0.000 1.148 271 D HN 0.393 nan 8.370 nan 0.000 0.464 272 M N 1.520 121.052 119.600 -0.114 0.000 2.386 272 M HA 0.249 4.729 4.480 -0.000 0.000 0.293 272 M C -0.203 176.085 176.300 -0.020 0.000 1.120 272 M CA -0.960 54.275 55.300 -0.109 0.000 0.909 272 M CB 3.008 35.629 32.600 0.035 0.000 1.661 272 M HN 0.135 nan 8.290 nan 0.000 0.452 273 K N 1.437 121.835 120.400 -0.004 0.000 2.087 273 K HA 0.393 4.713 4.320 -0.000 0.000 0.255 273 K C -0.269 176.380 176.600 0.080 0.000 0.988 273 K CA -0.741 55.567 56.287 0.034 0.000 0.915 273 K CB 1.620 34.134 32.500 0.023 0.000 1.043 273 K HN 0.696 nan 8.250 nan 0.000 0.457 274 E N 0.469 120.711 120.200 0.069 0.000 2.568 274 E HA -0.059 4.291 4.350 -0.000 0.000 0.262 274 E C 0.520 177.182 176.600 0.102 0.000 0.961 274 E CA 1.440 57.886 56.400 0.075 0.000 0.945 274 E CB -0.119 29.616 29.700 0.058 0.000 0.924 274 E HN 0.878 nan 8.360 nan 0.000 0.467 275 G N 2.216 111.070 108.800 0.090 0.000 2.179 275 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 275 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 275 G C 0.164 175.113 174.900 0.082 0.000 0.977 275 G CA 0.158 45.311 45.100 0.089 0.000 0.641 275 G HN 0.869 nan 8.290 nan 0.000 0.533 276 A N -0.305 122.587 122.820 0.119 0.000 2.327 276 A HA 0.809 5.129 4.320 -0.000 0.000 0.283 276 A C -0.165 177.474 177.584 0.091 0.000 1.127 276 A CA -0.038 52.059 52.037 0.099 0.000 0.810 276 A CB 1.234 20.358 19.000 0.207 0.000 1.066 276 A HN 1.531 nan 8.150 nan 0.000 0.492 277 L N 2.877 124.132 121.223 0.053 0.000 2.325 277 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 277 L C -0.898 176.123 176.870 0.251 0.000 1.004 277 L CA -0.695 54.212 54.840 0.112 0.000 0.823 277 L CB 1.508 43.576 42.059 0.016 0.000 1.236 277 L HN 0.608 nan 8.230 nan 0.000 0.415 278 L N 6.177 127.601 121.223 0.335 0.000 2.283 278 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 278 L C -0.481 176.562 176.870 0.288 0.000 1.073 278 L CA 0.096 55.170 54.840 0.390 0.000 0.822 278 L CB 0.168 42.532 42.059 0.508 0.000 1.186 278 L HN 0.628 nan 8.230 nan 0.000 0.436 279 L N 6.966 128.332 121.223 0.238 0.000 2.529 279 L HA 0.075 4.415 4.340 -0.000 0.000 0.287 279 L C -1.736 175.347 176.870 0.356 0.000 1.241 279 L CA -1.369 53.621 54.840 0.251 0.000 0.857 279 L CB -0.201 41.981 42.059 0.204 0.000 1.113 279 L HN 0.523 nan 8.230 nan 0.000 0.504 280 P HA -0.008 nan 4.420 nan 0.000 0.264 280 P C -0.924 176.453 177.300 0.128 0.000 1.183 280 P CA 0.693 63.878 63.100 0.142 0.000 0.763 280 P CB 0.367 32.119 31.700 0.088 0.000 0.807 281 H N 0.933 119.923 119.070 -0.134 0.000 2.887 281 H HA 0.487 5.043 4.556 -0.000 0.000 0.290 281 H C -1.595 173.657 175.328 -0.125 0.000 1.429 281 H CA -0.825 55.008 56.048 -0.358 0.000 1.137 281 H CB 0.752 29.855 29.762 -1.098 0.000 1.824 281 H HN 0.492 nan 8.280 nan 0.000 0.520 282 Y N -0.456 119.716 120.300 -0.213 0.000 2.552 282 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 282 Y C -1.821 174.076 175.900 -0.004 0.000 1.094 282 Y CA -1.055 56.960 58.100 -0.143 0.000 1.028 282 Y CB 1.118 39.537 38.460 -0.068 0.000 1.321 282 Y HN 0.596 nan 8.280 nan 0.000 0.456 283 N N 1.523 120.391 118.700 0.280 0.000 2.434 283 N HA 0.233 4.973 4.740 -0.000 0.000 0.272 283 N C 0.660 176.392 175.510 0.370 0.000 1.040 283 N CA 0.061 53.258 53.050 0.245 0.000 0.956 283 N CB 1.780 40.431 38.487 0.272 0.000 1.108 283 N HN 0.803 nan 8.380 nan 0.000 0.481 284 S N 3.185 119.068 115.700 0.305 0.000 2.359 284 S HA -0.281 4.189 4.470 -0.000 0.000 0.223 284 S C 1.228 175.951 174.600 0.205 0.000 1.039 284 S CA 1.303 59.705 58.200 0.336 0.000 1.042 284 S CB -0.215 63.120 63.200 0.226 0.000 0.915 284 S HN 0.799 nan 8.310 nan 0.000 0.439 285 K N 0.211 120.710 120.400 0.165 0.000 2.521 285 K HA 0.582 4.902 4.320 -0.000 0.000 0.213 285 K C 0.315 176.972 176.600 0.094 0.000 1.223 285 K CA 0.191 56.547 56.287 0.115 0.000 1.013 285 K CB 0.558 33.116 32.500 0.097 0.000 1.017 285 K HN 0.341 nan 8.250 nan 0.000 0.591 286 A N 2.111 125.010 122.820 0.133 0.000 2.331 286 A HA 0.537 4.857 4.320 -0.000 0.000 0.283 286 A C -0.269 177.314 177.584 -0.002 0.000 1.142 286 A CA -0.693 51.384 52.037 0.067 0.000 0.812 286 A CB 0.062 19.161 19.000 0.166 0.000 1.074 286 A HN 0.332 nan 8.150 nan 0.000 0.497 287 I N 2.928 123.434 120.570 -0.107 0.000 2.304 287 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 287 I C -0.526 175.468 176.117 -0.204 0.000 1.018 287 I CA -0.469 60.734 61.300 -0.161 0.000 1.260 287 I CB 1.375 39.248 38.000 -0.212 0.000 1.390 287 I HN 0.256 nan 8.210 nan 0.000 0.475 288 V N 7.860 127.696 119.914 -0.129 0.000 2.427 288 V HA 0.388 4.508 4.120 -0.000 0.000 0.286 288 V C 0.172 176.225 176.094 -0.068 0.000 1.034 288 V CA -0.430 61.822 62.300 -0.078 0.000 0.893 288 V CB 1.730 33.608 31.823 0.091 0.000 0.982 288 V HN 0.481 nan 8.190 nan 0.000 0.452 289 I N 6.624 127.175 120.570 -0.032 0.000 2.359 289 I HA 0.448 4.618 4.170 -0.000 0.000 0.284 289 I C 0.062 176.307 176.117 0.215 0.000 1.018 289 I CA -0.194 61.139 61.300 0.055 0.000 1.173 289 I CB 1.069 39.103 38.000 0.058 0.000 1.326 289 I HN 0.653 nan 8.210 nan 0.000 0.462 290 M N 6.622 126.362 119.600 0.233 0.000 2.508 290 M HA 0.820 5.300 4.480 -0.000 0.000 0.327 290 M C -1.438 175.053 176.300 0.318 0.000 1.160 290 M CA -0.715 54.739 55.300 0.258 0.000 0.980 290 M CB 2.708 35.399 32.600 0.151 0.000 1.693 290 M HN 0.306 nan 8.290 nan 0.000 0.452 291 V N 3.714 123.842 119.914 0.357 0.000 2.789 291 V HA 0.514 4.634 4.120 -0.000 0.000 0.311 291 V C -0.870 175.428 176.094 0.340 0.000 1.073 291 V CA -0.938 61.576 62.300 0.357 0.000 0.921 291 V CB 2.283 34.335 31.823 0.382 0.000 1.009 291 V HN 0.852 nan 8.190 nan 0.000 0.426 292 I N 5.583 126.325 120.570 0.287 0.000 2.379 292 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 292 I C 1.313 177.555 176.117 0.209 0.000 1.063 292 I CA 0.645 62.099 61.300 0.256 0.000 1.351 292 I CB 0.141 38.265 38.000 0.207 0.000 1.410 292 I HN 0.871 nan 8.210 nan 0.000 0.505 293 N N 5.234 124.055 118.700 0.201 0.000 2.132 293 N HA -0.015 4.725 4.740 -0.000 0.000 0.187 293 N C 0.066 175.636 175.510 0.100 0.000 1.038 293 N CA 0.744 53.873 53.050 0.131 0.000 0.846 293 N CB 0.624 39.177 38.487 0.110 0.000 1.012 293 N HN 0.661 nan 8.380 nan 0.000 0.429 294 E N -1.563 118.699 120.200 0.103 0.000 2.343 294 E HA 0.478 4.828 4.350 -0.000 0.000 0.278 294 E C -0.959 175.696 176.600 0.091 0.000 0.910 294 E CA -0.378 56.070 56.400 0.080 0.000 0.757 294 E CB 2.378 32.111 29.700 0.054 0.000 1.218 294 E HN 0.475 nan 8.360 nan 0.000 0.435 295 G N 1.855 110.703 108.800 0.079 0.000 2.498 295 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.651 295 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.651 295 G C -1.230 173.720 174.900 0.084 0.000 1.284 295 G CA -0.888 44.259 45.100 0.079 0.000 0.950 295 G HN 0.406 nan 8.290 nan 0.000 0.511 296 E N -0.824 119.422 120.200 0.075 0.000 2.343 296 E HA 0.875 5.225 4.350 -0.000 0.000 0.270 296 E C 0.241 176.875 176.600 0.058 0.000 0.895 296 E CA 0.223 56.662 56.400 0.066 0.000 0.767 296 E CB 2.046 31.777 29.700 0.052 0.000 1.248 296 E HN 1.749 nan 8.360 nan 0.000 0.440 297 A N 1.453 124.293 122.820 0.034 0.000 2.610 297 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 297 A C -1.448 176.115 177.584 -0.035 0.000 1.086 297 A CA -0.903 51.141 52.037 0.012 0.000 0.677 297 A CB 1.374 20.382 19.000 0.013 0.000 1.278 297 A HN 0.394 nan 8.150 nan 0.000 0.414 298 K N 0.612 120.986 120.400 -0.045 0.000 2.244 298 K HA 0.656 4.976 4.320 -0.000 0.000 0.260 298 K C -1.292 175.240 176.600 -0.115 0.000 0.951 298 K CA -0.249 55.992 56.287 -0.076 0.000 0.826 298 K CB 2.364 34.840 32.500 -0.040 0.000 1.108 298 K HN 0.605 nan 8.250 nan 0.000 0.433 299 I N 1.509 121.961 120.570 -0.197 0.000 2.530 299 I HA 0.243 4.413 4.170 -0.000 0.000 0.297 299 I C -1.056 174.958 176.117 -0.172 0.000 1.011 299 I CA -0.473 60.666 61.300 -0.269 0.000 1.107 299 I CB 1.526 39.161 38.000 -0.609 0.000 1.285 299 I HN 0.599 nan 8.210 nan 0.000 0.436 300 E N 6.956 127.097 120.200 -0.098 0.000 2.216 300 E HA 0.374 4.724 4.350 -0.000 0.000 0.260 300 E C -1.597 175.032 176.600 0.048 0.000 0.880 300 E CA -0.702 55.699 56.400 0.002 0.000 0.765 300 E CB 2.450 32.158 29.700 0.013 0.000 1.174 300 E HN 0.361 nan 8.360 nan 0.000 0.417 301 L N 3.577 124.903 121.223 0.171 0.000 2.329 301 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 301 L C -1.363 175.683 176.870 0.294 0.000 1.014 301 L CA -0.798 54.187 54.840 0.241 0.000 0.814 301 L CB 1.819 44.106 42.059 0.381 0.000 1.257 301 L HN 0.266 nan 8.230 nan 0.000 0.424 302 V N 4.974 125.015 119.914 0.211 0.000 2.384 302 V HA 0.827 4.947 4.120 -0.000 0.000 0.287 302 V C 0.545 176.697 176.094 0.096 0.000 1.020 302 V CA -0.060 62.333 62.300 0.156 0.000 0.850 302 V CB 0.872 32.723 31.823 0.046 0.000 0.987 302 V HN 0.944 nan 8.190 nan 0.000 0.436 303 G N 3.966 112.882 108.800 0.194 0.000 2.735 303 G HA2 0.792 4.752 3.960 -0.000 0.000 0.301 303 G HA3 0.792 4.752 3.960 -0.000 0.000 0.301 303 G C -1.290 173.588 174.900 -0.037 0.000 1.279 303 G CA -0.854 44.247 45.100 0.002 0.000 1.019 303 G HN 0.548 nan 8.290 nan 0.000 0.497 304 L N 0.625 121.797 121.223 -0.085 0.000 2.329 304 L HA 0.484 4.824 4.340 -0.000 0.000 0.279 304 L C 0.818 177.709 176.870 0.034 0.000 1.014 304 L CA -0.685 54.128 54.840 -0.046 0.000 0.814 304 L CB 1.938 43.942 42.059 -0.092 0.000 1.257 304 L HN 0.570 nan 8.230 nan 0.000 0.424 305 S N 0.776 116.488 115.700 0.020 0.000 2.634 305 S HA 0.179 4.649 4.470 -0.000 0.000 0.261 305 S C -0.234 174.386 174.600 0.034 0.000 1.271 305 S CA -0.603 57.618 58.200 0.035 0.000 0.985 305 S CB 0.642 63.847 63.200 0.010 0.000 0.968 305 S HN 0.561 nan 8.310 nan 0.000 0.568 318 E N 2.117 122.309 120.200 -0.013 0.000 2.318 318 E HA 0.499 4.849 4.350 -0.000 0.000 0.265 318 E C -0.796 175.791 176.600 -0.021 0.000 1.069 318 E CA -0.782 55.609 56.400 -0.016 0.000 0.893 318 E CB 2.649 32.340 29.700 -0.015 0.000 1.076 318 E HN 0.450 nan 8.360 nan 0.000 0.414 319 V N 1.701 121.600 119.914 -0.025 0.000 2.834 319 V HA 0.050 4.170 4.120 -0.000 0.000 0.301 319 V C -0.560 175.506 176.094 -0.045 0.000 1.066 319 V CA 0.037 62.318 62.300 -0.031 0.000 1.052 319 V CB 1.598 33.407 31.823 -0.025 0.000 1.021 319 V HN 0.601 nan 8.190 nan 0.000 0.480 320 Q N 4.496 124.265 119.800 -0.053 0.000 2.333 320 Q HA 0.464 4.804 4.340 -0.000 0.000 0.265 320 Q C -0.715 175.142 176.000 -0.238 0.000 0.989 320 Q CA -0.163 55.554 55.803 -0.144 0.000 0.842 320 Q CB 1.251 29.944 28.738 -0.075 0.000 1.262 320 Q HN 0.723 nan 8.270 nan 0.000 0.451 321 R N 3.036 123.356 120.500 -0.301 0.000 2.312 321 R HA 0.421 4.761 4.340 -0.000 0.000 0.311 321 R C -1.049 175.045 176.300 -0.343 0.000 1.004 321 R CA -0.372 55.604 56.100 -0.207 0.000 0.902 321 R CB 1.000 31.247 30.300 -0.087 0.000 1.073 321 R HN 0.571 nan 8.270 nan 0.000 0.457 322 Y N 2.763 123.166 120.300 0.172 0.000 2.338 322 Y HA 0.420 4.970 4.550 -0.000 0.000 0.328 322 Y C 0.097 176.118 175.900 0.202 0.000 0.965 322 Y CA -0.893 57.355 58.100 0.247 0.000 1.208 322 Y CB 1.234 39.945 38.460 0.418 0.000 1.132 322 Y HN 0.244 nan 8.280 nan 0.000 0.469 323 R N 2.139 122.791 120.500 0.253 0.000 2.854 323 R HA 0.974 5.314 4.340 -0.000 0.000 0.271 323 R C -1.095 175.248 176.300 0.072 0.000 0.996 323 R CA -1.372 54.799 56.100 0.119 0.000 0.961 323 R CB 2.266 32.592 30.300 0.044 0.000 1.182 323 R HN 0.693 nan 8.270 nan 0.000 0.479 324 A N 0.801 123.577 122.820 -0.074 0.000 2.605 324 A HA 0.421 4.741 4.320 -0.000 0.000 0.294 324 A C -1.488 175.929 177.584 -0.278 0.000 1.062 324 A CA -0.808 51.075 52.037 -0.257 0.000 0.682 324 A CB 1.638 20.396 19.000 -0.403 0.000 1.278 324 A HN 0.662 nan 8.150 nan 0.000 0.410 325 E N 1.289 121.306 120.200 -0.306 0.000 2.113 325 E HA 0.513 4.863 4.350 -0.000 0.000 0.273 325 E C -1.135 175.380 176.600 -0.140 0.000 0.924 325 E CA -0.350 55.953 56.400 -0.161 0.000 0.764 325 E CB 1.462 31.117 29.700 -0.075 0.000 1.104 325 E HN 0.518 nan 8.360 nan 0.000 0.406 326 L N 2.299 123.487 121.223 -0.059 0.000 2.322 326 L HA 0.489 4.829 4.340 -0.000 0.000 0.279 326 L C 0.308 177.245 176.870 0.112 0.000 1.036 326 L CA -0.500 54.389 54.840 0.082 0.000 0.807 326 L CB 1.333 43.430 42.059 0.063 0.000 1.226 326 L HN 0.532 nan 8.230 nan 0.000 0.433 327 S N -0.169 115.634 115.700 0.172 0.000 2.685 327 S HA 0.340 4.810 4.470 -0.000 0.000 0.282 327 S C -0.755 173.932 174.600 0.146 0.000 1.159 327 S CA -1.052 57.229 58.200 0.135 0.000 0.833 327 S CB 1.523 64.791 63.200 0.114 0.000 1.151 327 S HN 0.648 nan 8.310 nan 0.000 0.485 328 E N 0.532 120.798 120.200 0.110 0.000 3.056 328 E HA -0.103 4.247 4.350 -0.000 0.000 0.264 328 E C -0.372 176.284 176.600 0.095 0.000 0.899 328 E CA 1.304 57.762 56.400 0.097 0.000 0.966 328 E CB -0.248 29.490 29.700 0.063 0.000 0.913 328 E HN 0.595 nan 8.360 nan 0.000 0.522 329 D N 1.876 122.342 120.400 0.110 0.000 2.837 329 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 329 D C -0.680 175.735 176.300 0.191 0.000 1.033 329 D CA 1.409 55.465 54.000 0.094 0.000 1.021 329 D CB -0.836 39.935 40.800 -0.048 0.000 1.101 329 D HN 0.528 nan 8.370 nan 0.000 0.431 330 D N 0.037 120.584 120.400 0.244 0.000 2.399 330 D HA 0.305 4.945 4.640 -0.000 0.000 0.241 330 D C 0.450 176.988 176.300 0.396 0.000 1.133 330 D CA 0.116 54.321 54.000 0.341 0.000 0.890 330 D CB 1.170 42.221 40.800 0.418 0.000 1.201 330 D HN -0.122 nan 8.370 nan 0.000 0.432 331 V N 2.393 122.565 119.914 0.430 0.000 2.628 331 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 331 V C -0.690 175.721 176.094 0.528 0.000 1.045 331 V CA -0.805 61.744 62.300 0.415 0.000 0.905 331 V CB 1.691 33.693 31.823 0.298 0.000 0.997 331 V HN 0.400 nan 8.190 nan 0.000 0.436 332 F N 3.452 123.595 119.950 0.321 0.000 2.581 332 F HA 0.726 5.253 4.527 0.000 0.000 0.311 332 F C -0.794 175.143 175.800 0.228 0.000 1.113 332 F CA -0.569 57.645 58.000 0.358 0.000 0.935 332 F CB 1.940 41.105 39.000 0.276 0.000 1.232 332 F HN 0.249 nan 8.300 nan 0.000 0.445 333 V N 6.880 126.661 119.914 -0.223 0.000 2.398 333 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 333 V C -0.108 175.836 176.094 -0.250 0.000 1.026 333 V CA -0.578 61.627 62.300 -0.158 0.000 0.868 333 V CB 1.535 33.284 31.823 -0.124 0.000 0.982 333 V HN 0.554 nan 8.190 nan 0.000 0.443 334 I N 7.162 127.677 120.570 -0.091 0.000 2.371 334 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 334 I C -2.422 173.533 176.117 -0.271 0.000 1.031 334 I CA -1.908 59.323 61.300 -0.115 0.000 1.180 334 I CB 1.639 39.685 38.000 0.076 0.000 1.336 334 I HN 0.408 nan 8.210 nan 0.000 0.467 335 P HA 0.041 nan 4.420 nan 0.000 0.269 335 P C -0.126 176.994 177.300 -0.299 0.000 1.209 335 P CA -0.183 62.550 63.100 -0.611 0.000 0.776 335 P CB 0.626 31.517 31.700 -1.348 0.000 0.876 336 A N 3.260 125.999 122.820 -0.135 0.000 2.531 336 A HA 0.337 4.657 4.320 -0.000 0.000 0.236 336 A C 1.438 179.090 177.584 0.114 0.000 1.062 336 A CA 0.772 52.823 52.037 0.023 0.000 0.760 336 A CB -1.338 17.680 19.000 0.030 0.000 0.995 336 A HN 0.792 nan 8.150 nan 0.000 0.501 337 A N 0.641 123.537 122.820 0.127 0.000 4.030 337 A HA -0.203 4.117 4.320 -0.000 0.000 0.261 337 A C 0.270 177.830 177.584 -0.039 0.000 0.920 337 A CA 1.535 53.540 52.037 -0.053 0.000 1.304 337 A CB -2.626 16.328 19.000 -0.076 0.000 1.035 337 A HN 1.338 nan 8.150 nan 0.000 0.829 338 Y N 0.625 120.848 120.300 -0.128 0.000 2.402 338 Y HA 0.441 4.991 4.550 -0.000 0.000 0.333 338 Y C -1.994 173.868 175.900 -0.063 0.000 1.076 338 Y CA -1.648 56.380 58.100 -0.120 0.000 1.299 338 Y CB 0.041 38.398 38.460 -0.171 0.000 1.197 338 Y HN 0.174 nan 8.280 nan 0.000 0.517 339 P HA 0.154 nan 4.420 nan 0.000 0.271 339 P C -0.944 176.356 177.300 0.000 0.000 1.216 339 P CA 0.037 63.165 63.100 0.047 0.000 0.776 339 P CB 1.111 32.837 31.700 0.043 0.000 0.881 340 V N 1.906 121.740 119.914 -0.134 0.000 3.087 340 V HA 0.834 4.954 4.120 -0.000 0.000 0.306 340 V C -1.632 174.390 176.094 -0.119 0.000 1.187 340 V CA -0.747 61.482 62.300 -0.119 0.000 0.999 340 V CB 2.115 33.862 31.823 -0.127 0.000 1.049 340 V HN 0.648 nan 8.190 nan 0.000 0.431 341 A N 5.918 128.730 122.820 -0.014 0.000 2.486 341 A HA 0.927 5.247 4.320 -0.000 0.000 0.300 341 A C -1.442 176.169 177.584 0.046 0.000 1.048 341 A CA -0.553 51.526 52.037 0.069 0.000 0.696 341 A CB 1.655 20.693 19.000 0.063 0.000 1.278 341 A HN 0.817 nan 8.150 nan 0.000 0.405 342 I N 1.790 122.429 120.570 0.114 0.000 2.499 342 I HA 0.325 4.495 4.170 -0.000 0.000 0.288 342 I C -0.362 175.822 176.117 0.112 0.000 1.048 342 I CA -0.349 60.992 61.300 0.068 0.000 1.062 342 I CB 2.183 40.225 38.000 0.071 0.000 1.238 342 I HN 0.807 nan 8.210 nan 0.000 0.426 343 N N 4.897 123.631 118.700 0.057 0.000 2.476 343 N HA 0.564 5.304 4.740 -0.000 0.000 0.257 343 N C -0.578 174.972 175.510 0.066 0.000 0.970 343 N CA -0.418 52.672 53.050 0.066 0.000 0.938 343 N CB 1.413 39.920 38.487 0.033 0.000 1.144 343 N HN 0.736 nan 8.380 nan 0.000 0.500 344 A N 2.622 125.501 122.820 0.099 0.000 2.396 344 A HA 0.156 4.476 4.320 -0.000 0.000 0.279 344 A C 1.153 178.778 177.584 0.069 0.000 1.165 344 A CA -0.300 51.794 52.037 0.095 0.000 0.824 344 A CB -0.024 19.047 19.000 0.118 0.000 1.100 344 A HN 0.777 nan 8.150 nan 0.000 0.516 345 T N -0.645 113.943 114.554 0.055 0.000 3.144 345 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 345 T C 0.478 175.207 174.700 0.047 0.000 1.089 345 T CA 0.430 62.557 62.100 0.045 0.000 0.989 345 T CB -0.743 68.144 68.868 0.033 0.000 0.992 345 T HN 1.530 nan 8.240 nan 0.000 0.540 346 S N 0.059 115.792 115.700 0.055 0.000 2.595 346 S HA 0.429 4.899 4.470 -0.000 0.000 0.270 346 S C -1.548 173.086 174.600 0.057 0.000 1.145 346 S CA -1.134 57.096 58.200 0.051 0.000 0.825 346 S CB 0.541 63.769 63.200 0.047 0.000 1.107 346 S HN 0.064 nan 8.310 nan 0.000 0.461 347 N N 0.426 119.154 118.700 0.047 0.000 2.353 347 N HA 0.447 5.187 4.740 -0.000 0.000 0.248 347 N C -0.583 174.960 175.510 0.055 0.000 1.240 347 N CA 0.188 53.263 53.050 0.042 0.000 0.862 347 N CB 0.256 38.760 38.487 0.028 0.000 1.086 347 N HN 0.742 nan 8.380 nan 0.000 0.453 348 L N 1.631 122.890 121.223 0.061 0.000 2.434 348 L HA 0.524 4.864 4.340 -0.000 0.000 0.260 348 L C -1.126 175.791 176.870 0.078 0.000 0.983 348 L CA -0.638 54.259 54.840 0.095 0.000 0.820 348 L CB 2.058 44.206 42.059 0.148 0.000 1.361 348 L HN 0.556 nan 8.230 nan 0.000 0.410 349 N N 3.170 121.931 118.700 0.102 0.000 2.454 349 N HA 0.455 5.195 4.740 -0.000 0.000 0.291 349 N C -1.898 173.702 175.510 0.150 0.000 1.079 349 N CA -0.310 52.765 53.050 0.041 0.000 0.893 349 N CB 1.630 40.126 38.487 0.015 0.000 1.512 349 N HN 0.537 nan 8.380 nan 0.000 0.497 350 F N 1.833 121.802 119.950 0.032 0.000 2.593 350 F HA 0.749 5.276 4.527 -0.000 0.000 0.320 350 F C -1.518 174.311 175.800 0.048 0.000 1.060 350 F CA -1.114 56.922 58.000 0.059 0.000 0.940 350 F CB 1.225 40.253 39.000 0.046 0.000 1.268 350 F HN 0.218 nan 8.300 nan 0.000 0.475 351 F N 1.622 121.675 119.950 0.173 0.000 2.522 351 F HA 0.862 5.389 4.527 -0.000 0.000 0.324 351 F C -0.974 174.874 175.800 0.080 0.000 1.077 351 F CA -0.902 57.090 58.000 -0.014 0.000 0.944 351 F CB 1.838 40.781 39.000 -0.094 0.000 1.175 351 F HN 0.948 nan 8.300 nan 0.000 0.468 352 A N 4.466 126.796 122.820 -0.816 0.000 2.475 352 A HA 0.739 5.059 4.320 -0.000 0.000 0.301 352 A C -2.072 175.170 177.584 -0.571 0.000 1.059 352 A CA -0.479 51.349 52.037 -0.349 0.000 0.710 352 A CB 0.769 19.785 19.000 0.026 0.000 1.288 352 A HN 0.650 nan 8.150 nan 0.000 0.408 353 F N 0.954 120.849 119.950 -0.092 0.000 2.444 353 F HA 0.566 5.093 4.527 0.000 0.000 0.342 353 F C 1.015 176.581 175.800 -0.390 0.000 1.121 353 F CA -0.215 57.698 58.000 -0.144 0.000 0.997 353 F CB 2.515 41.491 39.000 -0.039 0.000 1.130 353 F HN 0.684 nan 8.300 nan 0.000 0.454 354 G N 4.880 113.301 108.800 -0.631 0.000 2.468 354 G HA2 0.573 4.533 3.960 -0.000 0.000 0.320 354 G HA3 0.573 4.533 3.960 -0.000 0.000 0.320 354 G C -0.795 173.698 174.900 -0.678 0.000 1.137 354 G CA -0.352 44.042 45.100 -1.177 0.000 0.984 354 G HN 0.359 nan 8.290 nan 0.000 0.462 355 I N 1.521 121.823 120.570 -0.446 0.000 2.662 355 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 355 I C 1.302 177.308 176.117 -0.185 0.000 1.046 355 I CA -0.278 60.817 61.300 -0.342 0.000 1.361 355 I CB 1.073 38.766 38.000 -0.511 0.000 1.429 355 I HN 0.778 nan 8.210 nan 0.000 0.558 356 N N 2.969 121.628 118.700 -0.068 0.000 2.740 356 N HA -0.246 4.494 4.740 -0.000 0.000 0.248 356 N C 0.917 176.445 175.510 0.029 0.000 1.062 356 N CA 0.430 53.482 53.050 0.003 0.000 0.704 356 N CB -0.145 38.344 38.487 0.004 0.000 0.968 356 N HN 0.799 nan 8.380 nan 0.000 0.547 357 A N 0.498 123.337 122.820 0.032 0.000 1.930 357 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 357 A C 0.877 178.591 177.584 0.218 0.000 1.175 357 A CA 1.106 53.243 52.037 0.167 0.000 0.627 357 A CB -0.200 18.910 19.000 0.183 0.000 0.815 357 A HN 0.687 nan 8.150 nan 0.000 0.443 358 E N 0.959 121.241 120.200 0.137 0.000 2.966 358 E HA -0.144 4.206 4.350 -0.000 0.000 0.254 358 E C -0.374 176.285 176.600 0.098 0.000 0.923 358 E CA 0.460 56.924 56.400 0.107 0.000 0.960 358 E CB -0.156 29.588 29.700 0.073 0.000 0.901 358 E HN 0.466 nan 8.360 nan 0.000 0.525 359 N N 2.401 121.150 118.700 0.082 0.000 2.714 359 N HA -0.279 4.461 4.740 -0.000 0.000 0.250 359 N C -0.374 175.178 175.510 0.070 0.000 1.117 359 N CA 0.990 54.075 53.050 0.058 0.000 0.719 359 N CB -1.527 36.988 38.487 0.047 0.000 1.081 359 N HN 0.682 nan 8.380 nan 0.000 0.557 360 N N 1.261 120.026 118.700 0.109 0.000 2.395 360 N HA -0.064 4.676 4.740 -0.000 0.000 0.246 360 N C -0.632 174.906 175.510 0.047 0.000 1.246 360 N CA 0.717 53.843 53.050 0.127 0.000 0.879 360 N CB 0.493 39.139 38.487 0.264 0.000 1.098 360 N HN 0.072 nan 8.380 nan 0.000 0.444 361 Q N 2.775 122.603 119.800 0.047 0.000 2.339 361 Q HA 0.189 4.529 4.340 -0.000 0.000 0.268 361 Q C -0.748 175.221 176.000 -0.052 0.000 1.027 361 Q CA -0.519 55.280 55.803 -0.007 0.000 0.759 361 Q CB 1.729 30.471 28.738 0.007 0.000 1.244 361 Q HN 0.562 nan 8.270 nan 0.000 0.464 362 R N 2.615 123.057 120.500 -0.095 0.000 2.267 362 R HA 0.196 4.536 4.340 -0.000 0.000 0.319 362 R C -0.469 175.674 176.300 -0.262 0.000 1.067 362 R CA 0.152 56.145 56.100 -0.178 0.000 0.936 362 R CB 0.437 30.619 30.300 -0.197 0.000 1.006 362 R HN 0.426 nan 8.270 nan 0.000 0.452 363 N N 5.285 123.671 118.700 -0.522 0.000 2.501 363 N HA 0.136 4.875 4.740 -0.000 0.000 0.245 363 N C -1.118 174.110 175.510 -0.469 0.000 0.974 363 N CA -0.212 52.508 53.050 -0.550 0.000 0.941 363 N CB 0.835 38.704 38.487 -1.029 0.000 1.122 363 N HN 0.305 nan 8.380 nan 0.000 0.507 364 F N 1.221 121.055 119.950 -0.194 0.000 2.382 364 F HA 0.225 4.752 4.527 0.000 0.000 0.331 364 F C 1.581 177.338 175.800 -0.072 0.000 1.121 364 F CA -0.436 57.501 58.000 -0.105 0.000 1.183 364 F CB 1.136 40.037 39.000 -0.166 0.000 1.207 364 F HN 0.323 nan 8.300 nan 0.000 0.555 365 L N 2.280 123.588 121.223 0.142 0.000 2.728 365 L HA 0.500 4.840 4.340 -0.000 0.000 0.238 365 L C 0.237 177.148 176.870 0.069 0.000 1.143 365 L CA -0.006 54.892 54.840 0.096 0.000 0.937 365 L CB -0.254 41.864 42.059 0.098 0.000 1.225 365 L HN 0.651 nan 8.230 nan 0.000 0.507 366 A N -0.896 121.969 122.820 0.074 0.000 2.581 366 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 366 A C -0.098 177.453 177.584 -0.055 0.000 1.119 366 A CA -0.094 51.946 52.037 0.006 0.000 0.670 366 A CB 0.682 19.687 19.000 0.008 0.000 1.280 366 A HN 0.211 nan 8.150 nan 0.000 0.425 367 G N -1.289 107.453 108.800 -0.097 0.000 2.796 367 G HA2 0.390 4.350 3.960 -0.000 0.000 0.571 367 G HA3 0.390 4.350 3.960 -0.000 0.000 0.571 367 G C 0.639 175.432 174.900 -0.179 0.000 1.370 367 G CA 0.159 45.157 45.100 -0.170 0.000 0.856 367 G HN 2.229 nan 8.290 nan 0.000 0.538 368 G N -0.550 108.118 108.800 -0.220 0.000 3.702 368 G HA2 0.544 4.504 3.960 -0.000 0.000 0.288 368 G HA3 0.544 4.504 3.960 -0.000 0.000 0.288 368 G C 0.167 174.931 174.900 -0.228 0.000 1.193 368 G CA 0.960 45.950 45.100 -0.183 0.000 0.952 368 G HN 0.781 nan 8.290 nan 0.000 0.544 369 K N 0.524 120.726 120.400 -0.330 0.000 2.561 369 K HA 0.336 4.656 4.320 -0.000 0.000 0.254 369 K C -0.320 176.099 176.600 -0.302 0.000 0.942 369 K CA -0.586 55.502 56.287 -0.332 0.000 0.818 369 K CB 1.092 33.304 32.500 -0.480 0.000 1.306 369 K HN -0.027 nan 8.250 nan 0.000 0.435 370 D N 0.805 121.139 120.400 -0.109 0.000 3.012 370 D HA -0.226 4.414 4.640 -0.000 0.000 0.222 370 D C -0.671 175.653 176.300 0.041 0.000 1.167 370 D CA 0.750 54.753 54.000 0.005 0.000 0.854 370 D CB -0.524 40.344 40.800 0.114 0.000 1.107 370 D HN 0.499 nan 8.370 nan 0.000 0.421 371 N N 0.992 119.680 118.700 -0.020 0.000 2.415 371 N HA 0.157 4.897 4.740 -0.000 0.000 0.246 371 N C 0.882 176.400 175.510 0.014 0.000 1.078 371 N CA -0.033 53.023 53.050 0.011 0.000 0.942 371 N CB 1.546 40.014 38.487 -0.032 0.000 1.140 371 N HN -0.024 nan 8.380 nan 0.000 0.501 372 V N 5.453 125.381 119.914 0.023 0.000 2.490 372 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 372 V C 2.031 178.158 176.094 0.055 0.000 1.061 372 V CA 1.739 64.059 62.300 0.032 0.000 1.064 372 V CB -0.311 31.534 31.823 0.037 0.000 0.670 372 V HN 0.728 nan 8.190 nan 0.000 0.461 373 M N 0.597 120.235 119.600 0.065 0.000 2.080 373 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 373 M C 2.237 178.570 176.300 0.054 0.000 1.068 373 M CA 2.282 57.630 55.300 0.081 0.000 1.109 373 M CB -0.549 32.093 32.600 0.069 0.000 1.342 373 M HN 0.650 nan 8.290 nan 0.000 0.405 374 S N -0.289 115.425 115.700 0.023 0.000 2.595 374 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 374 S C 1.117 175.725 174.600 0.014 0.000 0.974 374 S CA 0.729 58.934 58.200 0.008 0.000 0.942 374 S CB -0.301 62.889 63.200 -0.016 0.000 0.766 374 S HN 0.396 nan 8.310 nan 0.000 0.536 375 E N 0.453 120.669 120.200 0.026 0.000 2.526 375 E HA 0.350 4.700 4.350 -0.000 0.000 0.208 375 E C -0.093 176.527 176.600 0.033 0.000 0.997 375 E CA -0.114 56.300 56.400 0.024 0.000 0.961 375 E CB 0.407 30.120 29.700 0.022 0.000 1.030 375 E HN 0.631 nan 8.360 nan 0.000 0.483 376 I N 3.407 124.006 120.570 0.048 0.000 2.337 376 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 376 I C -2.158 173.988 176.117 0.048 0.000 1.046 376 I CA -1.979 59.354 61.300 0.055 0.000 1.324 376 I CB 0.661 38.712 38.000 0.085 0.000 1.409 376 I HN -0.315 nan 8.210 nan 0.000 0.494 377 P HA -0.033 nan 4.420 nan 0.000 0.267 377 P C 0.797 178.119 177.300 0.037 0.000 1.195 377 P CA 0.206 63.323 63.100 0.028 0.000 0.773 377 P CB 0.446 32.158 31.700 0.020 0.000 0.837 378 T N 0.741 115.313 114.554 0.031 0.000 2.652 378 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 378 T C 1.484 176.206 174.700 0.038 0.000 1.039 378 T CA 1.596 63.718 62.100 0.036 0.000 1.153 378 T CB -0.577 68.306 68.868 0.025 0.000 0.863 378 T HN 0.592 nan 8.240 nan 0.000 0.428 379 E N 1.568 121.783 120.200 0.025 0.000 2.118 379 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 379 E C 2.331 178.941 176.600 0.017 0.000 0.992 379 E CA 0.927 57.338 56.400 0.019 0.000 0.804 379 E CB -1.089 28.618 29.700 0.011 0.000 0.741 379 E HN 0.415 nan 8.360 nan 0.000 0.458 380 V N 1.820 121.745 119.914 0.017 0.000 2.379 380 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 380 V C 2.655 178.755 176.094 0.011 0.000 1.044 380 V CA 1.261 63.564 62.300 0.004 0.000 1.036 380 V CB -0.554 31.272 31.823 0.005 0.000 0.664 380 V HN 0.155 nan 8.190 nan 0.000 0.453 381 L N 0.091 121.354 121.223 0.067 0.000 2.131 381 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 381 L C 2.599 179.562 176.870 0.154 0.000 1.092 381 L CA 1.679 56.618 54.840 0.165 0.000 0.759 381 L CB -0.536 41.640 42.059 0.195 0.000 0.903 381 L HN 0.413 nan 8.230 nan 0.000 0.435 382 E N 0.654 120.903 120.200 0.082 0.000 2.085 382 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 382 E C 1.924 178.548 176.600 0.040 0.000 0.994 382 E CA 2.063 58.501 56.400 0.064 0.000 0.801 382 E CB -0.016 29.706 29.700 0.037 0.000 0.743 382 E HN 0.382 nan 8.360 nan 0.000 0.453 383 V N -2.366 117.548 119.914 0.001 0.000 3.174 383 V HA 0.112 4.232 4.120 -0.000 0.000 0.254 383 V C 2.086 178.123 176.094 -0.094 0.000 1.120 383 V CA 1.027 63.309 62.300 -0.031 0.000 1.114 383 V CB 0.065 31.867 31.823 -0.035 0.000 0.756 383 V HN 0.107 nan 8.190 nan 0.000 0.467 384 S N 0.257 115.853 115.700 -0.172 0.000 2.383 384 S HA 0.199 4.669 4.470 -0.000 0.000 0.227 384 S C 0.465 174.696 174.600 -0.616 0.000 1.026 384 S CA 1.234 59.165 58.200 -0.449 0.000 0.981 384 S CB -0.339 62.472 63.200 -0.648 0.000 0.818 384 S HN 0.635 nan 8.310 nan 0.000 0.472 385 F N -0.203 119.748 119.950 0.001 0.000 2.575 385 F HA 0.412 4.939 4.527 0.000 0.000 0.330 385 F C -1.793 174.006 175.800 -0.001 0.000 1.056 385 F CA -2.484 55.516 58.000 -0.000 0.000 0.964 385 F CB 0.552 39.553 39.000 0.001 0.000 1.258 385 F HN -0.218 nan 8.300 nan 0.000 0.484 386 P HA -0.140 nan 4.420 nan 0.000 0.214 386 P C -0.020 177.333 177.300 0.088 0.000 1.163 386 P CA 1.434 64.598 63.100 0.107 0.000 0.889 386 P CB -0.056 31.697 31.700 0.088 0.000 0.790 387 A N -0.336 122.540 122.820 0.093 0.000 2.327 387 A HA 0.384 4.704 4.320 -0.000 0.000 0.255 387 A C 0.672 178.297 177.584 0.069 0.000 1.099 387 A CA 0.019 52.092 52.037 0.058 0.000 0.801 387 A CB -0.423 18.594 19.000 0.029 0.000 1.062 387 A HN 0.245 nan 8.150 nan 0.000 0.496 388 S N -0.359 115.368 115.700 0.044 0.000 2.593 388 S HA 0.360 4.830 4.470 -0.000 0.000 0.269 388 S C 1.287 175.917 174.600 0.051 0.000 1.334 388 S CA -0.112 58.114 58.200 0.043 0.000 1.015 388 S CB 0.821 64.037 63.200 0.026 0.000 0.912 388 S HN 1.459 nan 8.310 nan 0.000 0.541 389 G N 0.503 109.334 108.800 0.053 0.000 2.501 389 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 389 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 389 G C 1.202 176.123 174.900 0.034 0.000 1.114 389 G CA 0.885 46.019 45.100 0.057 0.000 0.757 389 G HN 0.818 nan 8.290 nan 0.000 0.559 390 K N 0.360 120.773 120.400 0.023 0.000 1.991 390 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 390 K C 2.363 178.964 176.600 0.002 0.000 1.045 390 K CA 0.828 57.122 56.287 0.010 0.000 0.937 390 K CB -0.167 32.338 32.500 0.008 0.000 0.720 390 K HN -0.021 nan 8.250 nan 0.000 0.438 391 K N 0.804 121.205 120.400 0.002 0.000 2.097 391 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 391 K C 2.178 178.760 176.600 -0.029 0.000 1.049 391 K CA 1.101 57.381 56.287 -0.011 0.000 0.933 391 K CB -0.271 32.225 32.500 -0.007 0.000 0.717 391 K HN 0.096 nan 8.250 nan 0.000 0.442 392 V N 1.627 121.527 119.914 -0.023 0.000 2.270 392 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 392 V C 2.082 178.141 176.094 -0.059 0.000 1.043 392 V CA 1.700 63.961 62.300 -0.065 0.000 1.014 392 V CB -0.464 31.350 31.823 -0.015 0.000 0.645 392 V HN 0.360 nan 8.190 nan 0.000 0.447 393 E N 0.090 120.278 120.200 -0.019 0.000 2.204 393 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 393 E C 2.210 178.792 176.600 -0.029 0.000 0.990 393 E CA 1.246 57.636 56.400 -0.017 0.000 0.821 393 E CB -0.129 29.570 29.700 -0.000 0.000 0.750 393 E HN 0.602 nan 8.360 nan 0.000 0.477 394 K N 1.172 121.553 120.400 -0.031 0.000 2.007 394 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 394 K C 2.252 178.826 176.600 -0.044 0.000 1.047 394 K CA 0.801 57.069 56.287 -0.032 0.000 0.937 394 K CB -0.142 32.343 32.500 -0.026 0.000 0.718 394 K HN 0.068 nan 8.250 nan 0.000 0.438 395 L N 1.862 123.050 121.223 -0.058 0.000 2.187 395 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 395 L C 1.922 178.747 176.870 -0.075 0.000 1.100 395 L CA 1.465 56.262 54.840 -0.072 0.000 0.765 395 L CB -0.212 41.788 42.059 -0.099 0.000 0.904 395 L HN 0.307 nan 8.230 nan 0.000 0.437 396 I N -0.775 119.750 120.570 -0.076 0.000 2.286 396 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 396 I C 2.054 178.137 176.117 -0.056 0.000 1.104 396 I CA 1.208 62.467 61.300 -0.068 0.000 1.397 396 I CB -0.266 37.700 38.000 -0.057 0.000 1.072 396 I HN 0.212 nan 8.210 nan 0.000 0.417 397 K N 0.493 120.864 120.400 -0.048 0.000 2.487 397 K HA -0.070 4.250 4.320 -0.000 0.000 0.192 397 K C 1.875 178.449 176.600 -0.044 0.000 1.027 397 K CA 0.204 56.464 56.287 -0.045 0.000 1.054 397 K CB 0.110 32.588 32.500 -0.036 0.000 0.824 397 K HN 0.166 nan 8.250 nan 0.000 0.510 398 K N 1.259 121.632 120.400 -0.045 0.000 2.057 398 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 398 K C 0.858 177.433 176.600 -0.041 0.000 1.049 398 K CA 1.075 57.338 56.287 -0.040 0.000 0.931 398 K CB 0.193 32.670 32.500 -0.040 0.000 0.714 398 K HN -0.087 nan 8.250 nan 0.000 0.440 399 Q N 0.449 120.218 119.800 -0.051 0.000 2.361 399 Q HA 0.039 4.379 4.340 -0.000 0.000 0.250 399 Q C 0.139 176.099 176.000 -0.066 0.000 1.023 399 Q CA -0.005 55.764 55.803 -0.056 0.000 0.915 399 Q CB 1.310 30.010 28.738 -0.064 0.000 1.238 399 Q HN 0.215 nan 8.270 nan 0.000 0.451 400 S N 2.226 117.893 115.700 -0.055 0.000 2.548 400 S HA 0.167 4.637 4.470 -0.000 0.000 0.215 400 S C 0.304 174.859 174.600 -0.074 0.000 0.976 400 S CA -0.265 57.899 58.200 -0.060 0.000 0.908 400 S CB 0.128 63.305 63.200 -0.038 0.000 0.781 400 S HN 0.563 nan 8.310 nan 0.000 0.519 401 E N 1.873 122.031 120.200 -0.071 0.000 2.369 401 E HA 0.526 4.876 4.350 -0.000 0.000 0.255 401 E C -0.627 175.861 176.600 -0.186 0.000 1.172 401 E CA -0.086 56.270 56.400 -0.072 0.000 0.932 401 E CB 1.070 30.758 29.700 -0.021 0.000 1.040 401 E HN 0.223 nan 8.360 nan 0.000 0.454 402 S N -0.756 114.790 115.700 -0.257 0.000 2.547 402 S HA 0.363 4.833 4.470 -0.000 0.000 0.281 402 S C -0.211 173.977 174.600 -0.686 0.000 1.118 402 S CA -0.573 57.262 58.200 -0.609 0.000 0.947 402 S CB 1.298 64.026 63.200 -0.787 0.000 1.053 402 S HN 0.771 nan 8.310 nan 0.000 0.482 403 H N 0.680 119.266 119.070 -0.806 0.000 4.955 403 H HA -0.247 4.309 4.556 -0.000 0.000 0.059 403 H C -0.680 174.257 175.328 -0.653 0.000 0.580 403 H CA 2.270 57.611 56.048 -1.178 0.000 0.969 403 H CB -0.774 28.153 29.762 -1.391 0.000 0.469 403 H HN 0.524 nan 8.280 nan 0.000 0.792 404 F N 1.366 121.329 119.950 0.022 0.000 2.467 404 F HA 0.551 5.078 4.527 -0.000 0.000 0.336 404 F C 0.270 176.073 175.800 0.004 0.000 1.123 404 F CA -0.335 57.721 58.000 0.093 0.000 0.964 404 F CB 1.824 40.957 39.000 0.221 0.000 1.136 404 F HN 0.206 nan 8.300 nan 0.000 0.447 405 V N -0.941 118.961 119.914 -0.021 0.000 3.158 405 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 405 V C -0.802 174.743 176.094 -0.914 0.000 1.181 405 V CA -1.011 61.045 62.300 -0.407 0.000 1.054 405 V CB 2.003 33.703 31.823 -0.205 0.000 1.085 405 V HN 0.700 nan 8.190 nan 0.000 0.446 406 D N 1.142 120.831 120.400 -1.186 0.000 2.383 406 D HA 0.298 4.938 4.640 -0.000 0.000 0.252 406 D C 1.047 177.150 176.300 -0.328 0.000 1.166 406 D CA 0.476 53.962 54.000 -0.857 0.000 0.879 406 D CB 2.059 42.602 40.800 -0.428 0.000 1.164 406 D HN 0.971 nan 8.370 nan 0.000 0.462 407 A N 3.949 126.653 122.820 -0.194 0.000 2.172 407 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 407 A C 1.243 178.798 177.584 -0.049 0.000 1.154 407 A CA 0.810 52.798 52.037 -0.081 0.000 0.701 407 A CB -0.083 18.901 19.000 -0.028 0.000 0.789 407 A HN 0.678 nan 8.150 nan 0.000 0.465 408 Q N 0.248 120.021 119.800 -0.046 0.000 3.605 408 Q HA 0.310 4.650 4.340 -0.000 0.000 0.222 408 Q C -2.750 173.242 176.000 -0.013 0.000 0.915 408 Q CA -1.551 54.240 55.803 -0.018 0.000 0.731 408 Q CB 0.971 29.710 28.738 0.001 0.000 1.423 408 Q HN 0.220 nan 8.270 nan 0.000 0.446 409 P HA 0.000 nan 4.420 nan 0.000 0.216 409 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 409 P CB 0.000 31.688 31.700 -0.021 0.000 0.726