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 1aqf_1_B DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.122 176.117 0.008 0.000 1.063 12 I CA 0.000 61.298 61.300 -0.004 0.000 1.566 12 I CB 0.000 38.002 38.000 0.004 0.000 1.214 13 Q N 1.455 121.261 119.800 0.009 0.000 2.681 13 Q HA 0.035 4.376 4.340 0.002 0.000 0.286 13 Q C -0.444 175.579 176.000 0.038 0.000 1.231 13 Q CA 1.268 57.089 55.803 0.029 0.000 1.043 13 Q CB 0.456 29.224 28.738 0.049 0.000 1.336 13 Q HN 0.640 nan 8.270 nan 0.000 0.516 14 T N 0.934 115.514 114.554 0.043 0.000 2.940 14 T HA 0.190 4.541 4.350 0.002 0.000 0.288 14 T C -0.731 174.001 174.700 0.053 0.000 1.045 14 T CA -0.531 61.594 62.100 0.042 0.000 1.018 14 T CB 1.427 70.316 68.868 0.035 0.000 1.151 14 T HN 0.705 nan 8.240 nan 0.000 0.529 15 Q N 0.958 120.787 119.800 0.049 0.000 2.407 15 Q HA -0.236 4.105 4.340 0.002 0.000 0.277 15 Q C -0.357 175.696 176.000 0.088 0.000 1.161 15 Q CA 0.379 56.218 55.803 0.061 0.000 0.924 15 Q CB -0.757 28.012 28.738 0.052 0.000 1.318 15 Q HN 0.530 nan 8.270 nan 0.000 0.513 16 Q N -2.329 117.521 119.800 0.082 0.000 2.457 16 Q HA -0.250 4.091 4.340 0.002 0.000 0.283 16 Q C 0.485 176.567 176.000 0.137 0.000 1.234 16 Q CA 1.450 57.314 55.803 0.101 0.000 0.877 16 Q CB -1.773 27.028 28.738 0.106 0.000 1.250 16 Q HN 0.696 nan 8.270 nan 0.000 0.481 17 L N -1.412 119.883 121.223 0.121 0.000 2.217 17 L HA -0.162 4.179 4.340 0.002 0.000 0.211 17 L C 2.192 179.162 176.870 0.167 0.000 1.107 17 L CA 1.297 56.209 54.840 0.120 0.000 0.783 17 L CB -0.350 41.760 42.059 0.085 0.000 0.919 17 L HN 0.353 nan 8.230 nan 0.000 0.442 18 H N 0.580 119.682 119.070 0.054 0.000 2.357 18 H HA -0.071 4.487 4.556 0.002 0.000 0.301 18 H C 2.107 177.478 175.328 0.072 0.000 1.082 18 H CA 1.433 57.509 56.048 0.047 0.000 1.342 18 H CB 0.122 29.901 29.762 0.028 0.000 1.389 18 H HN 0.220 nan 8.280 nan 0.000 0.511 19 A N 0.675 123.479 122.820 -0.028 0.000 1.968 19 A HA 0.088 4.409 4.320 0.002 0.000 0.217 19 A C 2.533 180.220 177.584 0.171 0.000 1.169 19 A CA 1.253 53.284 52.037 -0.010 0.000 0.638 19 A CB -1.060 17.946 19.000 0.011 0.000 0.812 19 A HN 0.560 nan 8.150 nan 0.000 0.446 20 A N -1.353 121.569 122.820 0.171 0.000 2.178 20 A HA -0.027 4.294 4.320 0.002 0.000 0.218 20 A C 1.855 179.514 177.584 0.124 0.000 1.157 20 A CA 1.525 53.635 52.037 0.122 0.000 0.689 20 A CB -0.373 18.718 19.000 0.152 0.000 0.787 20 A HN 0.387 nan 8.150 nan 0.000 0.465 21 M N -0.563 119.091 119.600 0.090 0.000 2.556 21 M HA 0.265 4.747 4.480 0.002 0.000 0.245 21 M C 1.189 177.536 176.300 0.078 0.000 1.128 21 M CA -0.252 55.097 55.300 0.082 0.000 1.069 21 M CB -1.395 31.264 32.600 0.099 0.000 1.469 21 M HN 0.390 nan 8.290 nan 0.000 0.494 22 A N 1.503 124.358 122.820 0.058 0.000 2.492 22 A HA 0.095 4.416 4.320 0.002 0.000 0.236 22 A C 0.832 178.510 177.584 0.155 0.000 1.078 22 A CA 0.335 52.388 52.037 0.027 0.000 0.773 22 A CB 0.121 19.059 19.000 -0.104 0.000 1.023 22 A HN 0.483 nan 8.150 nan 0.000 0.504 23 D N -0.407 120.038 120.400 0.075 0.000 2.277 23 D HA 0.101 4.742 4.640 0.002 0.000 0.209 23 D C 0.682 176.999 176.300 0.028 0.000 0.970 23 D CA 1.283 55.315 54.000 0.054 0.000 0.874 23 D CB -0.267 40.534 40.800 0.002 0.000 0.982 23 D HN 0.409 nan 8.370 nan 0.000 0.504 24 T N -1.338 113.214 114.554 -0.004 0.000 2.907 24 T HA 0.350 4.702 4.350 0.002 0.000 0.292 24 T C 0.311 174.962 174.700 -0.081 0.000 1.043 24 T CA -0.765 61.261 62.100 -0.124 0.000 1.003 24 T CB 0.682 69.493 68.868 -0.095 0.000 1.084 24 T HN -0.243 nan 8.240 nan 0.000 0.483 25 F N 2.025 122.059 119.950 0.139 0.000 2.065 25 F HA -0.028 4.500 4.527 0.001 0.000 0.298 25 F C 2.216 177.972 175.800 -0.072 0.000 1.112 25 F CA 0.893 58.908 58.000 0.025 0.000 1.212 25 F CB -1.062 38.002 39.000 0.107 0.000 0.975 25 F HN 0.421 nan 8.300 nan 0.000 0.476 26 L N 0.193 121.501 121.223 0.141 0.000 2.043 26 L HA -0.211 4.130 4.340 0.002 0.000 0.212 26 L C 2.324 179.177 176.870 -0.028 0.000 1.075 26 L CA 1.901 56.766 54.840 0.042 0.000 0.752 26 L CB -0.664 41.415 42.059 0.034 0.000 0.891 26 L HN 0.127 nan 8.230 nan 0.000 0.432 27 E N -1.516 118.656 120.200 -0.047 0.000 2.152 27 E HA -0.246 4.106 4.350 0.002 0.000 0.192 27 E C 2.058 178.584 176.600 -0.123 0.000 0.983 27 E CA 0.929 57.282 56.400 -0.080 0.000 0.818 27 E CB -0.163 29.495 29.700 -0.070 0.000 0.758 27 E HN 0.628 nan 8.360 nan 0.000 0.467 28 H N 0.932 119.807 119.070 -0.325 0.000 2.319 28 H HA -0.098 4.459 4.556 0.002 0.000 0.297 28 H C 2.066 177.227 175.328 -0.278 0.000 1.097 28 H CA 1.916 57.687 56.048 -0.462 0.000 1.285 28 H CB -0.185 29.019 29.762 -0.930 0.000 1.368 28 H HN 0.060 nan 8.280 nan 0.000 0.495 29 M N -1.118 118.314 119.600 -0.281 0.000 2.059 29 M HA -0.212 4.269 4.480 0.002 0.000 0.259 29 M C 2.637 178.816 176.300 -0.201 0.000 1.072 29 M CA 1.763 56.905 55.300 -0.264 0.000 1.117 29 M CB -0.386 32.131 32.600 -0.137 0.000 1.320 29 M HN 0.348 nan 8.290 nan 0.000 0.408 30 C N -0.138 119.080 119.300 -0.137 0.000 2.401 30 C HA -0.153 4.308 4.460 0.002 0.000 0.286 30 C C 2.489 177.415 174.990 -0.105 0.000 1.332 30 C CA 0.926 59.884 59.018 -0.099 0.000 1.795 30 C CB -1.493 26.205 27.740 -0.070 0.000 1.922 30 C HN 0.453 nan 8.230 nan 0.000 0.520 31 R N -0.322 120.085 120.500 -0.155 0.000 2.300 31 R HA 0.215 4.556 4.340 0.002 0.000 0.199 31 R C 0.217 176.446 176.300 -0.118 0.000 0.920 31 R CA -0.139 55.870 56.100 -0.151 0.000 1.046 31 R CB -0.027 30.112 30.300 -0.268 0.000 0.984 31 R HN 0.490 nan 8.270 nan 0.000 0.493 32 L N 1.930 123.055 121.223 -0.163 0.000 2.559 32 L HA -0.048 4.294 4.340 0.002 0.000 0.274 32 L C 0.001 176.835 176.870 -0.061 0.000 1.205 32 L CA 0.492 55.250 54.840 -0.136 0.000 0.907 32 L CB 0.038 41.987 42.059 -0.183 0.000 1.153 32 L HN -0.035 nan 8.230 nan 0.000 0.490 33 D N 3.022 123.405 120.400 -0.027 0.000 2.350 33 D HA 0.305 4.946 4.640 0.002 0.000 0.245 33 D C 0.583 176.880 176.300 -0.005 0.000 1.036 33 D CA -0.502 53.496 54.000 -0.003 0.000 0.848 33 D CB 1.914 42.730 40.800 0.027 0.000 1.307 33 D HN 0.448 nan 8.370 nan 0.000 0.469 34 I N -0.954 119.613 120.570 -0.005 0.000 3.875 34 I HA 0.266 4.438 4.170 0.002 0.000 0.329 34 I C -0.018 176.100 176.117 0.002 0.000 1.295 34 I CA 0.029 61.326 61.300 -0.005 0.000 1.129 34 I CB 0.382 38.377 38.000 -0.008 0.000 1.008 34 I HN -0.031 nan 8.210 nan 0.000 0.413 35 D N 0.877 121.281 120.400 0.007 0.000 2.407 35 D HA 0.085 4.726 4.640 0.002 0.000 0.208 35 D C 0.742 177.052 176.300 0.016 0.000 1.083 35 D CA 0.396 54.402 54.000 0.010 0.000 0.844 35 D CB 0.750 41.555 40.800 0.009 0.000 0.967 35 D HN 0.200 nan 8.370 nan 0.000 0.506 36 S N 0.897 116.608 115.700 0.019 0.000 2.400 36 S HA 0.512 4.983 4.470 0.002 0.000 0.295 36 S C 0.023 174.637 174.600 0.023 0.000 1.113 36 S CA -0.637 57.580 58.200 0.027 0.000 1.064 36 S CB 0.182 63.406 63.200 0.040 0.000 0.990 36 S HN 0.167 nan 8.310 nan 0.000 0.502 37 A N 7.551 130.385 122.820 0.023 0.000 2.409 37 A HA 0.587 4.908 4.320 0.002 0.000 0.262 37 A C -2.150 175.447 177.584 0.022 0.000 1.113 37 A CA -1.304 50.745 52.037 0.020 0.000 0.790 37 A CB -0.135 18.878 19.000 0.021 0.000 1.046 37 A HN 0.663 nan 8.150 nan 0.000 0.496 38 P HA 0.299 nan 4.420 nan 0.000 0.274 38 P C 0.176 177.483 177.300 0.012 0.000 1.260 38 P CA -0.270 62.837 63.100 0.013 0.000 0.793 38 P CB 0.291 31.989 31.700 -0.004 0.000 1.048 39 I N -3.241 117.331 120.570 0.003 0.000 3.468 39 I HA 0.288 4.459 4.170 0.002 0.000 0.299 39 I C 1.458 177.574 176.117 -0.001 0.000 1.141 39 I CA -0.407 60.892 61.300 -0.001 0.000 0.950 39 I CB -0.511 37.476 38.000 -0.022 0.000 1.522 39 I HN 0.121 nan 8.210 nan 0.000 0.699 40 T N 0.662 115.226 114.554 0.016 0.000 2.978 40 T HA 0.243 4.594 4.350 0.002 0.000 0.262 40 T C 0.764 175.499 174.700 0.058 0.000 1.063 40 T CA 0.628 62.772 62.100 0.073 0.000 1.140 40 T CB -0.206 68.758 68.868 0.160 0.000 0.886 40 T HN 0.693 nan 8.240 nan 0.000 0.470 41 A N 1.668 124.401 122.820 -0.145 0.000 2.354 41 A HA 0.587 4.908 4.320 0.002 0.000 0.269 41 A C 0.301 177.820 177.584 -0.108 0.000 1.109 41 A CA -0.389 51.473 52.037 -0.293 0.000 0.800 41 A CB 0.346 18.814 19.000 -0.887 0.000 1.045 41 A HN 0.298 nan 8.150 nan 0.000 0.489 42 R N 2.250 122.760 120.500 0.017 0.000 2.320 42 R HA 0.206 4.547 4.340 0.002 0.000 0.319 42 R C -0.489 175.872 176.300 0.101 0.000 0.969 42 R CA -0.237 55.885 56.100 0.037 0.000 0.857 42 R CB 0.403 30.729 30.300 0.042 0.000 1.160 42 R HN 0.960 nan 8.270 nan 0.000 0.491 43 N N 0.632 119.374 118.700 0.069 0.000 2.457 43 N HA -0.040 4.701 4.740 0.002 0.000 0.180 43 N C -0.374 175.202 175.510 0.110 0.000 1.050 43 N CA 0.557 53.666 53.050 0.099 0.000 0.906 43 N CB 0.352 38.893 38.487 0.091 0.000 0.968 43 N HN 0.416 nan 8.380 nan 0.000 0.445 44 T N 0.781 115.390 114.554 0.092 0.000 2.737 44 T HA 0.303 4.654 4.350 0.002 0.000 0.296 44 T C 0.777 175.539 174.700 0.104 0.000 0.922 44 T CA -0.741 61.409 62.100 0.083 0.000 1.079 44 T CB 1.234 70.137 68.868 0.058 0.000 0.892 44 T HN 0.139 nan 8.240 nan 0.000 0.514 45 G N 2.601 111.461 108.800 0.101 0.000 2.441 45 G HA2 0.470 4.431 3.960 0.002 0.000 0.243 45 G HA3 0.470 4.431 3.960 0.002 0.000 0.243 45 G C -0.287 174.660 174.900 0.079 0.000 1.281 45 G CA -0.629 44.538 45.100 0.112 0.000 0.854 45 G HN 0.804 nan 8.290 nan 0.000 0.560 46 I N 2.915 123.528 120.570 0.072 0.000 2.390 46 I HA 0.241 4.412 4.170 0.002 0.000 0.283 46 I C -0.008 176.131 176.117 0.036 0.000 1.016 46 I CA -0.400 60.935 61.300 0.058 0.000 1.151 46 I CB 1.273 39.316 38.000 0.071 0.000 1.293 46 I HN 0.215 nan 8.210 nan 0.000 0.458 47 I N 5.103 125.702 120.570 0.048 0.000 2.472 47 I HA 0.270 4.442 4.170 0.002 0.000 0.290 47 I C -0.248 175.907 176.117 0.063 0.000 1.016 47 I CA -0.281 61.057 61.300 0.063 0.000 1.348 47 I CB 1.390 39.457 38.000 0.112 0.000 1.417 47 I HN 0.519 nan 8.210 nan 0.000 0.521 48 C N 3.688 123.021 119.300 0.055 0.000 2.369 48 C HA 0.376 4.837 4.460 0.002 0.000 0.322 48 C C 0.422 175.451 174.990 0.066 0.000 1.258 48 C CA -0.608 58.444 59.018 0.055 0.000 1.487 48 C CB 1.145 28.908 27.740 0.040 0.000 2.165 48 C HN 0.693 nan 8.230 nan 0.000 0.483 49 T N 4.981 119.580 114.554 0.075 0.000 2.761 49 T HA 0.311 4.662 4.350 0.002 0.000 0.296 49 T C 0.275 175.019 174.700 0.074 0.000 0.934 49 T CA -0.125 62.023 62.100 0.081 0.000 1.091 49 T CB 0.106 69.028 68.868 0.089 0.000 0.896 49 T HN 0.373 nan 8.240 nan 0.000 0.515 50 I N 3.244 123.861 120.570 0.078 0.000 2.428 50 I HA 0.633 4.804 4.170 0.002 0.000 0.289 50 I C 0.990 177.179 176.117 0.120 0.000 1.019 50 I CA 0.191 61.544 61.300 0.087 0.000 1.351 50 I CB 0.755 38.804 38.000 0.081 0.000 1.412 50 I HN 0.856 nan 8.210 nan 0.000 0.513 51 G N 6.054 114.922 108.800 0.114 0.000 2.490 51 G HA2 0.396 4.357 3.960 0.002 0.000 0.308 51 G HA3 0.396 4.357 3.960 0.002 0.000 0.308 51 G C -2.561 172.410 174.900 0.118 0.000 1.286 51 G CA -0.392 44.794 45.100 0.143 0.000 0.825 51 G HN 0.256 nan 8.290 nan 0.000 0.479 52 P HA -0.273 nan 4.420 nan 0.000 0.226 52 P C 1.769 179.096 177.300 0.045 0.000 1.154 52 P CA 3.199 66.352 63.100 0.088 0.000 0.901 52 P CB 0.042 31.775 31.700 0.056 0.000 0.788 53 A N -1.339 121.502 122.820 0.035 0.000 2.132 53 A HA 0.081 4.402 4.320 0.002 0.000 0.213 53 A C 1.412 179.006 177.584 0.016 0.000 1.154 53 A CA 1.147 53.194 52.037 0.016 0.000 0.753 53 A CB -0.462 18.543 19.000 0.008 0.000 0.826 53 A HN 0.329 nan 8.150 nan 0.000 0.469 54 S N -1.482 114.236 115.700 0.031 0.000 2.422 54 S HA 0.426 4.897 4.470 0.002 0.000 0.226 54 S C 0.500 175.118 174.600 0.030 0.000 1.242 54 S CA -0.502 57.715 58.200 0.029 0.000 1.231 54 S CB 0.294 63.517 63.200 0.038 0.000 1.067 54 S HN 0.483 nan 8.310 nan 0.000 0.462 55 R N 1.487 121.997 120.500 0.017 0.000 2.369 55 R HA 0.182 4.523 4.340 0.002 0.000 0.210 55 R C 0.624 176.910 176.300 -0.024 0.000 0.881 55 R CA 0.644 56.743 56.100 -0.002 0.000 1.031 55 R CB 0.300 30.588 30.300 -0.019 0.000 1.184 55 R HN 0.595 nan 8.270 nan 0.000 0.581 56 S N -0.350 115.340 115.700 -0.017 0.000 2.572 56 S HA -0.001 4.470 4.470 0.002 0.000 0.267 56 S C 1.290 175.879 174.600 -0.018 0.000 1.361 56 S CA -0.471 57.716 58.200 -0.022 0.000 1.009 56 S CB 1.389 64.579 63.200 -0.016 0.000 0.888 56 S HN -0.038 nan 8.310 nan 0.000 0.553 57 V N 1.181 121.081 119.914 -0.023 0.000 2.649 57 V HA -0.023 4.098 4.120 0.002 0.000 0.248 57 V C 2.535 178.620 176.094 -0.015 0.000 1.054 57 V CA 1.485 63.771 62.300 -0.022 0.000 1.073 57 V CB -0.930 30.872 31.823 -0.034 0.000 0.699 57 V HN 0.913 nan 8.190 nan 0.000 0.463 58 E N -0.384 119.808 120.200 -0.012 0.000 2.418 58 E HA -0.126 4.225 4.350 0.002 0.000 0.197 58 E C 2.108 178.716 176.600 0.014 0.000 1.026 58 E CA 1.150 57.548 56.400 -0.002 0.000 0.862 58 E CB 0.067 29.764 29.700 -0.005 0.000 0.799 58 E HN 0.507 nan 8.360 nan 0.000 0.518 59 T N 0.818 115.379 114.554 0.011 0.000 2.852 59 T HA -0.053 4.298 4.350 0.002 0.000 0.256 59 T C 1.662 176.383 174.700 0.034 0.000 1.038 59 T CA 0.223 62.335 62.100 0.019 0.000 1.141 59 T CB 0.039 68.913 68.868 0.010 0.000 0.869 59 T HN -0.007 nan 8.240 nan 0.000 0.439 60 L N 1.770 123.012 121.223 0.032 0.000 2.051 60 L HA -0.116 4.225 4.340 0.002 0.000 0.214 60 L C 2.297 179.218 176.870 0.084 0.000 1.076 60 L CA 1.748 56.615 54.840 0.045 0.000 0.758 60 L CB -0.753 41.325 42.059 0.032 0.000 0.890 60 L HN 0.228 nan 8.230 nan 0.000 0.433 61 K N -0.942 119.516 120.400 0.097 0.000 2.009 61 K HA -0.231 4.090 4.320 0.002 0.000 0.210 61 K C 2.082 178.805 176.600 0.206 0.000 1.049 61 K CA 1.470 57.880 56.287 0.206 0.000 0.929 61 K CB -0.177 32.410 32.500 0.144 0.000 0.714 61 K HN 0.116 nan 8.250 nan 0.000 0.440 62 E N 0.759 121.029 120.200 0.117 0.000 2.110 62 E HA -0.128 4.223 4.350 0.002 0.000 0.193 62 E C 1.864 178.493 176.600 0.049 0.000 0.988 62 E CA 1.303 57.749 56.400 0.077 0.000 0.804 62 E CB 0.004 29.734 29.700 0.050 0.000 0.745 62 E HN 0.201 nan 8.360 nan 0.000 0.458 63 M N -0.678 118.951 119.600 0.049 0.000 2.098 63 M HA -0.057 4.424 4.480 0.002 0.000 0.262 63 M C 2.055 178.364 176.300 0.014 0.000 1.072 63 M CA 1.074 56.391 55.300 0.027 0.000 1.133 63 M CB -0.158 32.461 32.600 0.030 0.000 1.344 63 M HN 0.108 nan 8.290 nan 0.000 0.414 64 I N 0.021 120.617 120.570 0.045 0.000 2.236 64 I HA -0.401 3.770 4.170 0.002 0.000 0.249 64 I C 2.247 178.327 176.117 -0.063 0.000 1.102 64 I CA 1.598 62.912 61.300 0.024 0.000 1.365 64 I CB -0.446 37.643 38.000 0.149 0.000 1.051 64 I HN 0.361 nan 8.210 nan 0.000 0.420 65 K N -0.037 120.332 120.400 -0.053 0.000 2.116 65 K HA -0.066 4.255 4.320 0.002 0.000 0.203 65 K C 2.201 178.740 176.600 -0.102 0.000 1.052 65 K CA 1.114 57.330 56.287 -0.118 0.000 0.952 65 K CB 0.124 32.602 32.500 -0.036 0.000 0.729 65 K HN 0.115 nan 8.250 nan 0.000 0.446 66 S N -1.279 114.377 115.700 -0.073 0.000 2.436 66 S HA 0.033 4.504 4.470 0.002 0.000 0.228 66 S C 1.183 175.680 174.600 -0.173 0.000 1.014 66 S CA 1.064 59.205 58.200 -0.099 0.000 0.950 66 S CB 0.704 63.877 63.200 -0.045 0.000 0.784 66 S HN 0.614 nan 8.310 nan 0.000 0.504 67 G N -0.158 108.569 108.800 -0.121 0.000 3.859 67 G HA2 -0.029 3.932 3.960 0.002 0.000 0.220 67 G HA3 -0.029 3.932 3.960 0.002 0.000 0.220 67 G C 0.121 174.999 174.900 -0.037 0.000 0.892 67 G CA -0.542 44.491 45.100 -0.112 0.000 0.858 67 G HN 0.282 nan 8.290 nan 0.000 0.625 68 M N 1.371 120.949 119.600 -0.038 0.000 2.255 68 M HA 0.152 4.633 4.480 0.002 0.000 0.356 68 M C 1.047 177.293 176.300 -0.090 0.000 1.338 68 M CA 1.223 56.499 55.300 -0.040 0.000 0.962 68 M CB 0.243 32.828 32.600 -0.025 0.000 1.877 68 M HN 0.364 nan 8.290 nan 0.000 0.463 69 N N 1.689 120.308 118.700 -0.134 0.000 2.430 69 N HA 0.195 4.936 4.740 0.002 0.000 0.235 69 N C -1.156 174.101 175.510 -0.422 0.000 1.108 69 N CA -0.295 52.538 53.050 -0.362 0.000 0.834 69 N CB 0.961 39.301 38.487 -0.245 0.000 1.430 69 N HN 0.359 nan 8.380 nan 0.000 0.463 70 V N 0.766 120.573 119.914 -0.179 0.000 2.735 70 V HA 0.790 4.911 4.120 0.002 0.000 0.310 70 V C -1.001 175.069 176.094 -0.040 0.000 1.061 70 V CA -1.173 61.064 62.300 -0.105 0.000 0.913 70 V CB 1.738 33.555 31.823 -0.010 0.000 1.005 70 V HN 0.139 nan 8.190 nan 0.000 0.428 71 A N 4.007 126.802 122.820 -0.042 0.000 2.287 71 A HA 0.777 5.098 4.320 0.002 0.000 0.317 71 A C -0.237 177.327 177.584 -0.033 0.000 1.220 71 A CA -0.607 51.420 52.037 -0.016 0.000 0.835 71 A CB 0.722 19.717 19.000 -0.009 0.000 1.180 71 A HN 0.788 nan 8.150 nan 0.000 0.500 72 R N 2.845 123.344 120.500 -0.001 0.000 2.393 72 R HA 0.602 4.943 4.340 0.002 0.000 0.310 72 R C -1.499 174.807 176.300 0.010 0.000 0.968 72 R CA -0.684 55.401 56.100 -0.026 0.000 0.867 72 R CB 1.002 31.345 30.300 0.071 0.000 1.124 72 R HN 0.661 nan 8.270 nan 0.000 0.450 73 M N 3.792 123.381 119.600 -0.019 0.000 2.036 73 M HA 0.219 4.700 4.480 0.002 0.000 0.337 73 M C -0.610 175.683 176.300 -0.012 0.000 1.012 73 M CA -0.686 54.605 55.300 -0.015 0.000 0.962 73 M CB 1.008 33.637 32.600 0.049 0.000 1.423 73 M HN 0.331 nan 8.290 nan 0.000 0.405 74 N N 2.342 121.034 118.700 -0.013 0.000 2.402 74 N HA 0.095 4.836 4.740 0.002 0.000 0.259 74 N C -0.238 175.238 175.510 -0.055 0.000 1.167 74 N CA 0.232 53.302 53.050 0.033 0.000 0.949 74 N CB 0.072 38.606 38.487 0.079 0.000 1.212 74 N HN 0.469 nan 8.380 nan 0.000 0.493 75 F N 1.141 121.023 119.950 -0.113 0.000 2.795 75 F HA 0.046 4.574 4.527 0.002 0.000 0.303 75 F C 1.946 177.730 175.800 -0.027 0.000 1.186 75 F CA 0.231 58.181 58.000 -0.083 0.000 1.415 75 F CB -0.004 38.929 39.000 -0.112 0.000 1.106 75 F HN 0.445 nan 8.300 nan 0.000 0.558 76 S N -1.727 113.961 115.700 -0.020 0.000 2.522 76 S HA 0.010 4.482 4.470 0.002 0.000 0.227 76 S C 0.301 174.608 174.600 -0.488 0.000 0.986 76 S CA 0.537 58.600 58.200 -0.228 0.000 0.929 76 S CB -0.269 62.741 63.200 -0.318 0.000 0.769 76 S HN 0.464 nan 8.310 nan 0.000 0.529 77 H N -1.489 117.584 119.070 0.006 0.000 3.038 77 H HA 0.562 5.119 4.556 0.002 0.000 0.289 77 H C 0.517 175.790 175.328 -0.092 0.000 1.510 77 H CA -0.392 55.621 56.048 -0.058 0.000 1.227 77 H CB 0.686 30.384 29.762 -0.107 0.000 1.880 77 H HN 0.215 nan 8.280 nan 0.000 0.594 78 G N 0.064 108.805 108.800 -0.098 0.000 2.992 78 G HA2 -0.144 3.817 3.960 0.002 0.000 0.340 78 G HA3 -0.144 3.817 3.960 0.002 0.000 0.340 78 G C -0.116 174.638 174.900 -0.243 0.000 1.539 78 G CA 0.209 45.052 45.100 -0.429 0.000 0.997 78 G HN 0.600 nan 8.290 nan 0.000 0.561 79 T N -1.425 112.962 114.554 -0.280 0.000 2.942 79 T HA 0.602 4.953 4.350 0.002 0.000 0.289 79 T C 1.641 176.339 174.700 -0.004 0.000 1.044 79 T CA 0.474 62.544 62.100 -0.050 0.000 1.023 79 T CB 0.933 69.769 68.868 -0.053 0.000 1.123 79 T HN 0.627 nan 8.240 nan 0.000 0.512 80 H N 0.990 119.947 119.070 -0.189 0.000 2.292 80 H HA -0.175 4.382 4.556 0.002 0.000 0.292 80 H C 1.886 177.152 175.328 -0.103 0.000 1.100 80 H CA 2.337 58.167 56.048 -0.363 0.000 1.238 80 H CB 0.271 29.740 29.762 -0.488 0.000 1.355 80 H HN 0.733 nan 8.280 nan 0.000 0.484 81 E N 0.381 120.650 120.200 0.116 0.000 2.153 81 E HA -0.212 4.139 4.350 0.002 0.000 0.194 81 E C 1.930 178.574 176.600 0.074 0.000 0.988 81 E CA 1.036 57.503 56.400 0.113 0.000 0.811 81 E CB -0.368 29.378 29.700 0.076 0.000 0.746 81 E HN 0.526 nan 8.360 nan 0.000 0.466 82 Y N 1.909 122.131 120.300 -0.130 0.000 2.133 82 Y HA -0.243 4.308 4.550 0.002 0.000 0.287 82 Y C 2.314 178.111 175.900 -0.172 0.000 1.134 82 Y CA 1.942 59.915 58.100 -0.211 0.000 1.133 82 Y CB -0.196 38.041 38.460 -0.372 0.000 0.987 82 Y HN 0.046 nan 8.280 nan 0.000 0.502 83 H N -0.207 118.998 119.070 0.227 0.000 2.267 83 H HA -0.119 4.439 4.556 0.002 0.000 0.297 83 H C 2.389 177.855 175.328 0.230 0.000 1.080 83 H CA 1.419 57.569 56.048 0.170 0.000 1.278 83 H CB -1.185 28.586 29.762 0.014 0.000 1.365 83 H HN 0.450 nan 8.280 nan 0.000 0.489 84 A N 0.704 123.823 122.820 0.498 0.000 2.148 84 A HA -0.224 4.097 4.320 0.002 0.000 0.222 84 A C 2.287 179.976 177.584 0.174 0.000 1.161 84 A CA 1.971 54.261 52.037 0.421 0.000 0.662 84 A CB -0.413 18.908 19.000 0.535 0.000 0.799 84 A HN 0.610 nan 8.150 nan 0.000 0.466 85 E N -1.518 118.724 120.200 0.071 0.000 2.251 85 E HA -0.053 4.298 4.350 0.002 0.000 0.194 85 E C 1.774 178.334 176.600 -0.067 0.000 0.964 85 E CA 0.869 57.248 56.400 -0.034 0.000 0.868 85 E CB 0.136 29.758 29.700 -0.131 0.000 0.828 85 E HN 0.514 nan 8.360 nan 0.000 0.481 86 T N 1.819 116.325 114.554 -0.081 0.000 2.708 86 T HA -0.132 4.219 4.350 0.002 0.000 0.266 86 T C 1.916 176.629 174.700 0.022 0.000 1.037 86 T CA 1.431 63.501 62.100 -0.049 0.000 1.146 86 T CB -0.200 68.700 68.868 0.054 0.000 0.865 86 T HN 0.169 nan 8.240 nan 0.000 0.435 87 I N 1.248 121.865 120.570 0.079 0.000 2.091 87 I HA -0.253 3.918 4.170 0.002 0.000 0.239 87 I C 2.655 178.793 176.117 0.035 0.000 1.061 87 I CA 1.608 62.951 61.300 0.072 0.000 1.317 87 I CB -0.487 37.574 38.000 0.101 0.000 1.031 87 I HN 0.222 nan 8.210 nan 0.000 0.401 88 K N 1.631 122.049 120.400 0.030 0.000 2.113 88 K HA -0.238 4.083 4.320 0.002 0.000 0.208 88 K C 1.616 178.216 176.600 -0.001 0.000 1.047 88 K CA 2.331 58.625 56.287 0.012 0.000 0.928 88 K CB -0.301 32.205 32.500 0.010 0.000 0.716 88 K HN 0.486 nan 8.250 nan 0.000 0.446 89 N N -0.045 118.650 118.700 -0.009 0.000 2.270 89 N HA -0.103 4.638 4.740 0.002 0.000 0.181 89 N C 1.745 177.254 175.510 -0.003 0.000 1.016 89 N CA 0.799 53.839 53.050 -0.016 0.000 0.870 89 N CB 0.071 38.540 38.487 -0.030 0.000 0.979 89 N HN -0.072 nan 8.380 nan 0.000 0.431 90 V N 2.067 121.987 119.914 0.010 0.000 2.220 90 V HA -0.269 3.853 4.120 0.002 0.000 0.246 90 V C 2.219 178.330 176.094 0.028 0.000 1.049 90 V CA 1.734 64.047 62.300 0.021 0.000 1.003 90 V CB -0.516 31.321 31.823 0.024 0.000 0.634 90 V HN 0.309 nan 8.190 nan 0.000 0.444 91 R N -0.361 120.156 120.500 0.028 0.000 2.154 91 R HA -0.190 4.151 4.340 0.002 0.000 0.248 91 R C 2.242 178.560 176.300 0.031 0.000 1.155 91 R CA 1.951 58.075 56.100 0.039 0.000 0.979 91 R CB -0.941 29.376 30.300 0.028 0.000 0.869 91 R HN 0.510 nan 8.270 nan 0.000 0.452 92 T N 0.886 115.443 114.554 0.005 0.000 2.812 92 T HA -0.048 4.303 4.350 0.002 0.000 0.264 92 T C 2.004 176.677 174.700 -0.044 0.000 1.042 92 T CA 1.298 63.386 62.100 -0.019 0.000 1.140 92 T CB -0.154 68.695 68.868 -0.031 0.000 0.870 92 T HN 0.413 nan 8.240 nan 0.000 0.445 93 A N 1.255 124.056 122.820 -0.031 0.000 1.933 93 A HA -0.109 4.212 4.320 0.002 0.000 0.218 93 A C 2.516 180.083 177.584 -0.028 0.000 1.175 93 A CA 2.023 54.025 52.037 -0.058 0.000 0.628 93 A CB -1.187 17.817 19.000 0.008 0.000 0.814 93 A HN 0.474 nan 8.150 nan 0.000 0.444 94 T N 0.284 114.889 114.554 0.084 0.000 2.674 94 T HA -0.108 4.243 4.350 0.002 0.000 0.265 94 T C 1.521 176.423 174.700 0.335 0.000 1.039 94 T CA 1.467 63.692 62.100 0.208 0.000 1.150 94 T CB -0.248 68.713 68.868 0.156 0.000 0.864 94 T HN 0.471 nan 8.240 nan 0.000 0.427 95 E N 1.400 121.739 120.200 0.231 0.000 2.511 95 E HA 0.016 4.367 4.350 0.002 0.000 0.196 95 E C 2.299 178.917 176.600 0.029 0.000 1.066 95 E CA 0.199 56.724 56.400 0.207 0.000 0.871 95 E CB -0.287 29.471 29.700 0.096 0.000 0.863 95 E HN 0.548 nan 8.360 nan 0.000 0.520 96 S N 0.196 115.808 115.700 -0.147 0.000 2.382 96 S HA -0.135 4.336 4.470 0.002 0.000 0.228 96 S C 1.419 175.827 174.600 -0.320 0.000 1.027 96 S CA 0.721 58.700 58.200 -0.368 0.000 0.991 96 S CB -0.295 62.461 63.200 -0.740 0.000 0.823 96 S HN 0.179 nan 8.310 nan 0.000 0.469 97 F N 1.690 121.734 119.950 0.156 0.000 2.732 97 F HA 0.569 5.097 4.527 0.002 0.000 0.303 97 F C 2.244 178.157 175.800 0.188 0.000 1.110 97 F CA -0.232 57.874 58.000 0.177 0.000 1.355 97 F CB -0.711 38.413 39.000 0.207 0.000 1.081 97 F HN 0.270 nan 8.300 nan 0.000 0.565 98 A N 0.539 123.467 122.820 0.180 0.000 2.042 98 A HA -0.276 4.045 4.320 0.002 0.000 0.222 98 A C 2.490 180.018 177.584 -0.093 0.000 1.167 98 A CA 2.078 54.010 52.037 -0.175 0.000 0.649 98 A CB -1.103 17.752 19.000 -0.242 0.000 0.809 98 A HN 0.453 nan 8.150 nan 0.000 0.457 99 S N -0.493 115.215 115.700 0.014 0.000 2.372 99 S HA -0.206 4.265 4.470 0.002 0.000 0.227 99 S C 0.814 175.434 174.600 0.034 0.000 1.044 99 S CA 1.480 59.694 58.200 0.023 0.000 1.050 99 S CB -0.381 62.847 63.200 0.046 0.000 0.901 99 S HN 0.521 nan 8.310 nan 0.000 0.447 100 D N 2.169 122.616 120.400 0.079 0.000 2.462 100 D HA 0.400 5.041 4.640 0.002 0.000 0.249 100 D C -1.992 174.367 176.300 0.098 0.000 1.117 100 D CA -2.629 51.417 54.000 0.076 0.000 0.900 100 D CB 1.625 42.475 40.800 0.083 0.000 1.039 100 D HN 0.045 nan 8.370 nan 0.000 0.516 101 P HA -0.177 nan 4.420 nan 0.000 0.218 101 P C 1.533 178.909 177.300 0.127 0.000 1.146 101 P CA 0.485 63.632 63.100 0.079 0.000 0.820 101 P CB 0.505 32.226 31.700 0.035 0.000 0.778 102 I N -1.600 119.024 120.570 0.091 0.000 2.315 102 I HA -0.126 4.045 4.170 0.002 0.000 0.248 102 I C 1.866 178.033 176.117 0.083 0.000 1.117 102 I CA 1.269 62.612 61.300 0.071 0.000 1.404 102 I CB -1.109 36.912 38.000 0.035 0.000 1.071 102 I HN -0.108 nan 8.210 nan 0.000 0.419 103 L N -1.291 119.995 121.223 0.106 0.000 3.017 103 L HA 0.157 4.498 4.340 0.002 0.000 0.255 103 L C -0.446 176.499 176.870 0.124 0.000 1.247 103 L CA -0.105 54.783 54.840 0.080 0.000 1.038 103 L CB -0.263 41.810 42.059 0.023 0.000 1.380 103 L HN 0.064 nan 8.230 nan 0.000 0.548 104 Y N 0.925 121.256 120.300 0.053 0.000 2.353 104 Y HA 0.565 5.116 4.550 0.002 0.000 0.340 104 Y C 0.051 175.984 175.900 0.054 0.000 0.972 104 Y CA -0.810 57.338 58.100 0.080 0.000 1.157 104 Y CB 0.559 39.096 38.460 0.129 0.000 1.157 104 Y HN 0.033 nan 8.280 nan 0.000 0.495 105 R N 8.077 128.301 120.500 -0.459 0.000 2.255 105 R HA 0.389 4.730 4.340 0.002 0.000 0.326 105 R C -2.496 173.395 176.300 -0.682 0.000 0.986 105 R CA -1.881 53.933 56.100 -0.477 0.000 0.847 105 R CB 0.965 31.090 30.300 -0.292 0.000 1.111 105 R HN 0.513 nan 8.270 nan 0.000 0.452 106 P HA 0.125 nan 4.420 nan 0.000 0.273 106 P C -0.810 176.458 177.300 -0.052 0.000 1.250 106 P CA -0.329 62.626 63.100 -0.241 0.000 0.793 106 P CB 0.777 32.497 31.700 0.034 0.000 1.011 107 V N 0.140 120.034 119.914 -0.033 0.000 2.610 107 V HA 0.489 4.610 4.120 0.002 0.000 0.298 107 V C 0.183 176.242 176.094 -0.058 0.000 1.067 107 V CA -0.851 61.377 62.300 -0.119 0.000 0.894 107 V CB 1.422 33.198 31.823 -0.079 0.000 1.015 107 V HN 0.752 nan 8.190 nan 0.000 0.432 108 A N 4.379 127.125 122.820 -0.123 0.000 2.280 108 A HA 0.854 5.176 4.320 0.002 0.000 0.268 108 A C -0.407 177.153 177.584 -0.041 0.000 1.111 108 A CA -0.368 51.651 52.037 -0.030 0.000 0.814 108 A CB 1.019 20.008 19.000 -0.019 0.000 1.093 108 A HN 0.850 nan 8.150 nan 0.000 0.498 109 V N -0.248 119.648 119.914 -0.031 0.000 2.686 109 V HA 0.670 4.791 4.120 0.002 0.000 0.306 109 V C -0.010 176.014 176.094 -0.116 0.000 1.065 109 V CA 0.101 62.368 62.300 -0.056 0.000 0.894 109 V CB 1.469 33.274 31.823 -0.030 0.000 1.004 109 V HN 1.399 nan 8.190 nan 0.000 0.424 110 A N 4.677 127.376 122.820 -0.202 0.000 2.435 110 A HA 0.885 5.206 4.320 0.002 0.000 0.304 110 A C -1.351 175.983 177.584 -0.416 0.000 1.064 110 A CA -0.577 51.212 52.037 -0.413 0.000 0.727 110 A CB 1.722 20.248 19.000 -0.789 0.000 1.284 110 A HN 0.872 nan 8.150 nan 0.000 0.415 111 L N 1.958 122.939 121.223 -0.403 0.000 2.265 111 L HA 0.391 4.733 4.340 0.002 0.000 0.289 111 L C -0.934 175.795 176.870 -0.235 0.000 1.033 111 L CA -0.496 54.189 54.840 -0.258 0.000 0.814 111 L CB 0.879 42.747 42.059 -0.319 0.000 1.203 111 L HN 0.719 nan 8.230 nan 0.000 0.423 112 D N 3.944 124.302 120.400 -0.070 0.000 2.428 112 D HA 0.130 4.771 4.640 0.002 0.000 0.221 112 D C -0.221 176.151 176.300 0.120 0.000 1.123 112 D CA -0.147 53.901 54.000 0.079 0.000 0.869 112 D CB 1.110 42.005 40.800 0.158 0.000 1.032 112 D HN 0.425 nan 8.370 nan 0.000 0.506 113 T N 2.730 117.332 114.554 0.079 0.000 2.932 113 T HA -0.041 4.310 4.350 0.002 0.000 0.312 113 T C 1.502 176.254 174.700 0.086 0.000 1.071 113 T CA 0.082 62.221 62.100 0.066 0.000 1.128 113 T CB 1.448 70.339 68.868 0.037 0.000 0.984 113 T HN 0.416 nan 8.240 nan 0.000 0.549 114 K N 2.057 122.507 120.400 0.083 0.000 2.031 114 K HA 0.123 4.444 4.320 0.002 0.000 0.205 114 K C 1.004 177.611 176.600 0.012 0.000 1.049 114 K CA 1.082 57.389 56.287 0.033 0.000 0.939 114 K CB -0.483 32.029 32.500 0.020 0.000 0.717 114 K HN 0.932 nan 8.250 nan 0.000 0.438 115 G N 0.837 109.654 108.800 0.029 0.000 2.781 115 G HA2 -0.160 3.801 3.960 0.002 0.000 0.683 115 G HA3 -0.160 3.801 3.960 0.002 0.000 0.683 115 G C -2.780 172.115 174.900 -0.009 0.000 1.390 115 G CA -0.497 44.620 45.100 0.029 0.000 0.850 115 G HN 0.224 nan 8.290 nan 0.000 0.557 116 P HA 0.347 nan 4.420 nan 0.000 0.271 116 P C -0.077 177.134 177.300 -0.149 0.000 1.220 116 P CA 0.376 63.461 63.100 -0.025 0.000 0.768 116 P CB 0.845 32.583 31.700 0.063 0.000 0.848 117 E N 2.192 122.312 120.200 -0.133 0.000 2.404 117 E HA 0.681 5.032 4.350 0.002 0.000 0.264 117 E C -0.553 175.949 176.600 -0.162 0.000 0.946 117 E CA -0.999 55.290 56.400 -0.185 0.000 0.806 117 E CB 1.612 31.234 29.700 -0.130 0.000 1.334 117 E HN 0.266 nan 8.360 nan 0.000 0.429 118 I N 1.325 121.802 120.570 -0.155 0.000 2.439 118 I HA 0.384 4.555 4.170 0.002 0.000 0.285 118 I C -0.613 175.469 176.117 -0.058 0.000 1.021 118 I CA -0.835 60.398 61.300 -0.112 0.000 1.091 118 I CB 1.085 39.008 38.000 -0.128 0.000 1.242 118 I HN 0.171 nan 8.210 nan 0.000 0.439 119 R N 3.108 123.588 120.500 -0.033 0.000 2.778 119 R HA 0.612 4.953 4.340 0.002 0.000 0.277 119 R C -0.267 176.051 176.300 0.030 0.000 0.977 119 R CA -0.711 55.400 56.100 0.017 0.000 0.950 119 R CB 2.184 32.520 30.300 0.060 0.000 1.165 119 R HN 0.672 nan 8.270 nan 0.000 0.474 120 T N -1.715 112.897 114.554 0.097 0.000 2.874 120 T HA 0.538 4.889 4.350 0.002 0.000 0.281 120 T C 0.894 175.802 174.700 0.348 0.000 0.994 120 T CA -0.601 61.602 62.100 0.173 0.000 1.015 120 T CB 1.550 70.502 68.868 0.141 0.000 1.028 120 T HN 0.536 nan 8.240 nan 0.000 0.523 121 G N 0.212 109.337 108.800 0.540 0.000 2.494 121 G HA2 0.494 4.455 3.960 0.002 0.000 0.270 121 G HA3 0.494 4.455 3.960 0.002 0.000 0.270 121 G C -0.732 174.287 174.900 0.198 0.000 1.423 121 G CA -0.886 44.489 45.100 0.458 0.000 1.055 121 G HN 0.613 nan 8.290 nan 0.000 0.536 122 L N 0.296 121.569 121.223 0.082 0.000 2.331 122 L HA 0.288 4.629 4.340 0.002 0.000 0.278 122 L C 0.319 177.227 176.870 0.063 0.000 1.106 122 L CA -0.636 54.235 54.840 0.051 0.000 0.824 122 L CB 1.356 43.414 42.059 -0.001 0.000 1.142 122 L HN 0.183 nan 8.230 nan 0.000 0.443 123 I N 5.309 125.918 120.570 0.065 0.000 2.311 123 I HA 0.054 4.226 4.170 0.002 0.000 0.297 123 I C 0.704 176.850 176.117 0.048 0.000 1.131 123 I CA 0.071 61.411 61.300 0.067 0.000 1.289 123 I CB -0.762 37.280 38.000 0.071 0.000 1.446 123 I HN 0.631 nan 8.210 nan 0.000 0.524 124 K N 4.344 124.771 120.400 0.046 0.000 3.161 124 K HA -0.206 4.115 4.320 0.002 0.000 0.270 124 K C 1.069 177.675 176.600 0.011 0.000 1.115 124 K CA 0.448 56.754 56.287 0.030 0.000 0.789 124 K CB -1.557 30.962 32.500 0.032 0.000 1.256 124 K HN 1.006 nan 8.250 nan 0.000 0.492 125 G N -0.669 108.131 108.800 -0.000 0.000 2.302 125 G HA2 -0.393 3.568 3.960 0.002 0.000 0.263 125 G HA3 -0.393 3.568 3.960 0.002 0.000 0.263 125 G C 0.078 174.972 174.900 -0.011 0.000 0.995 125 G CA 0.799 45.888 45.100 -0.018 0.000 0.622 125 G HN 0.667 nan 8.290 nan 0.000 0.538 126 S N -0.933 114.769 115.700 0.002 0.000 2.600 126 S HA 0.683 5.154 4.470 0.002 0.000 0.300 126 S C 1.488 176.095 174.600 0.012 0.000 1.087 126 S CA 0.555 58.757 58.200 0.003 0.000 0.965 126 S CB 1.481 64.682 63.200 0.002 0.000 1.089 126 S HN 1.153 nan 8.310 nan 0.000 0.496 127 G N 0.745 109.552 108.800 0.010 0.000 2.408 127 G HA2 -0.082 3.879 3.960 0.002 0.000 0.215 127 G HA3 -0.082 3.879 3.960 0.002 0.000 0.215 127 G C 1.291 176.202 174.900 0.017 0.000 1.156 127 G CA 1.179 46.290 45.100 0.017 0.000 0.793 127 G HN 0.891 nan 8.290 nan 0.000 0.535 128 T N -0.702 113.858 114.554 0.009 0.000 3.072 128 T HA 0.467 4.818 4.350 0.002 0.000 0.266 128 T C 1.310 176.014 174.700 0.007 0.000 1.127 128 T CA 0.559 62.661 62.100 0.004 0.000 1.107 128 T CB -0.088 68.778 68.868 -0.003 0.000 0.910 128 T HN 0.380 nan 8.240 nan 0.000 0.513 129 A N 1.788 124.618 122.820 0.017 0.000 2.425 129 A HA 0.515 4.836 4.320 0.002 0.000 0.242 129 A C 0.389 177.996 177.584 0.039 0.000 1.077 129 A CA -0.589 51.462 52.037 0.025 0.000 0.781 129 A CB 0.197 19.215 19.000 0.030 0.000 1.020 129 A HN 0.706 nan 8.150 nan 0.000 0.494 130 E N 0.186 120.416 120.200 0.049 0.000 2.408 130 E HA 0.698 5.050 4.350 0.002 0.000 0.275 130 E C -2.011 174.666 176.600 0.128 0.000 0.935 130 E CA -0.707 55.745 56.400 0.086 0.000 0.775 130 E CB 1.922 31.660 29.700 0.063 0.000 1.277 130 E HN 0.485 nan 8.360 nan 0.000 0.455 131 V N 0.875 120.900 119.914 0.185 0.000 3.078 131 V HA 0.310 4.431 4.120 0.002 0.000 0.311 131 V C -1.089 175.132 176.094 0.211 0.000 1.138 131 V CA -0.746 61.657 62.300 0.173 0.000 1.007 131 V CB 2.115 34.002 31.823 0.106 0.000 1.045 131 V HN 0.765 nan 8.190 nan 0.000 0.432 132 E N 3.383 123.656 120.200 0.122 0.000 2.081 132 E HA 0.327 4.678 4.350 0.002 0.000 0.281 132 E C -1.258 175.279 176.600 -0.105 0.000 0.986 132 E CA -0.503 55.857 56.400 -0.066 0.000 0.796 132 E CB 1.066 30.711 29.700 -0.092 0.000 1.085 132 E HN 0.350 nan 8.360 nan 0.000 0.398 133 L N 4.770 125.891 121.223 -0.170 0.000 2.283 133 L HA 0.252 4.593 4.340 0.002 0.000 0.287 133 L C 0.415 177.189 176.870 -0.161 0.000 1.073 133 L CA 0.100 54.870 54.840 -0.117 0.000 0.822 133 L CB 0.626 42.632 42.059 -0.088 0.000 1.186 133 L HN 0.306 nan 8.230 nan 0.000 0.436 134 K N 3.270 123.608 120.400 -0.104 0.000 2.118 134 K HA 0.280 4.601 4.320 0.002 0.000 0.254 134 K C -0.129 176.433 176.600 -0.064 0.000 0.961 134 K CA -0.790 55.439 56.287 -0.096 0.000 0.876 134 K CB 1.891 34.351 32.500 -0.068 0.000 1.077 134 K HN 0.386 nan 8.250 nan 0.000 0.440 135 K N 0.133 120.498 120.400 -0.058 0.000 2.451 135 K HA 0.032 4.353 4.320 0.002 0.000 0.280 135 K C 0.710 177.296 176.600 -0.024 0.000 1.020 135 K CA 1.370 57.634 56.287 -0.037 0.000 1.008 135 K CB 0.138 32.618 32.500 -0.033 0.000 0.917 135 K HN 0.821 nan 8.250 nan 0.000 0.478 136 G N 2.115 110.907 108.800 -0.014 0.000 2.284 136 G HA2 -0.328 3.633 3.960 0.002 0.000 0.247 136 G HA3 -0.328 3.633 3.960 0.002 0.000 0.247 136 G C 0.318 175.215 174.900 -0.005 0.000 1.012 136 G CA 0.151 45.247 45.100 -0.007 0.000 0.618 136 G HN 0.938 nan 8.290 nan 0.000 0.521 137 A N -0.242 122.572 122.820 -0.010 0.000 2.504 137 A HA 0.565 4.886 4.320 0.002 0.000 0.242 137 A C 0.806 178.391 177.584 0.001 0.000 1.100 137 A CA 1.828 53.861 52.037 -0.007 0.000 0.786 137 A CB 0.106 19.099 19.000 -0.012 0.000 1.050 137 A HN 0.952 nan 8.150 nan 0.000 0.512 138 T N -0.420 114.135 114.554 0.003 0.000 2.952 138 T HA 0.671 5.022 4.350 0.002 0.000 0.286 138 T C -0.901 173.805 174.700 0.010 0.000 1.024 138 T CA -0.317 61.789 62.100 0.009 0.000 1.029 138 T CB 0.503 69.376 68.868 0.009 0.000 1.094 138 T HN 0.673 nan 8.240 nan 0.000 0.515 139 L N 2.245 123.478 121.223 0.017 0.000 2.751 139 L HA 0.436 4.778 4.340 0.002 0.000 0.261 139 L C -1.136 175.751 176.870 0.028 0.000 0.927 139 L CA -0.674 54.176 54.840 0.018 0.000 0.968 139 L CB 1.591 43.663 42.059 0.023 0.000 1.432 139 L HN 0.512 nan 8.230 nan 0.000 0.439 140 K N 5.893 126.303 120.400 0.016 0.000 2.183 140 K HA 0.550 4.871 4.320 0.002 0.000 0.274 140 K C -0.920 175.699 176.600 0.032 0.000 1.009 140 K CA -0.652 55.655 56.287 0.034 0.000 0.888 140 K CB 1.381 33.870 32.500 -0.019 0.000 1.078 140 K HN 0.579 nan 8.250 nan 0.000 0.459 141 I N 3.083 123.694 120.570 0.067 0.000 2.406 141 I HA 0.389 4.560 4.170 0.002 0.000 0.290 141 I C -0.697 175.466 176.117 0.077 0.000 0.999 141 I CA -0.079 61.254 61.300 0.054 0.000 1.124 141 I CB 1.379 39.400 38.000 0.035 0.000 1.289 141 I HN 0.825 nan 8.210 nan 0.000 0.441 142 T N 4.392 118.990 114.554 0.074 0.000 2.926 142 T HA 0.639 4.990 4.350 0.002 0.000 0.289 142 T C 0.517 175.281 174.700 0.107 0.000 1.054 142 T CA -0.761 61.406 62.100 0.112 0.000 1.015 142 T CB 1.800 70.709 68.868 0.068 0.000 1.167 142 T HN 0.636 nan 8.240 nan 0.000 0.526 143 L N -0.283 121.015 121.223 0.125 0.000 2.766 143 L HA 0.412 4.753 4.340 0.002 0.000 0.242 143 L C 0.698 177.768 176.870 0.333 0.000 1.136 143 L CA -0.445 54.441 54.840 0.076 0.000 0.933 143 L CB 0.056 42.108 42.059 -0.012 0.000 1.241 143 L HN 0.599 nan 8.230 nan 0.000 0.522 144 D N 1.803 122.446 120.400 0.404 0.000 2.349 144 D HA -0.027 4.614 4.640 0.002 0.000 0.266 144 D C 0.770 177.341 176.300 0.451 0.000 1.293 144 D CA 0.325 54.567 54.000 0.403 0.000 0.926 144 D CB 0.416 41.456 40.800 0.401 0.000 1.090 144 D HN 0.258 nan 8.370 nan 0.000 0.502 145 N N 2.570 121.463 118.700 0.323 0.000 2.586 145 N HA -0.210 4.531 4.740 0.002 0.000 0.191 145 N C 1.468 176.900 175.510 -0.130 0.000 1.085 145 N CA 0.455 53.547 53.050 0.070 0.000 0.921 145 N CB 0.224 38.764 38.487 0.087 0.000 0.954 145 N HN 0.408 nan 8.380 nan 0.000 0.448 146 A N 0.720 123.514 122.820 -0.042 0.000 1.972 146 A HA -0.144 4.177 4.320 0.002 0.000 0.219 146 A C 0.934 178.225 177.584 -0.488 0.000 1.169 146 A CA 1.119 52.994 52.037 -0.271 0.000 0.635 146 A CB -0.481 18.336 19.000 -0.305 0.000 0.810 146 A HN 0.356 nan 8.150 nan 0.000 0.446 147 Y N -0.868 119.358 120.300 -0.124 0.000 2.645 147 Y HA 0.300 4.851 4.550 0.002 0.000 0.307 147 Y C 1.672 177.338 175.900 -0.390 0.000 1.151 147 Y CA 0.134 58.152 58.100 -0.136 0.000 1.291 147 Y CB -0.339 38.145 38.460 0.040 0.000 1.135 147 Y HN 0.395 nan 8.280 nan 0.000 0.523 148 M N -0.170 119.017 119.600 -0.689 0.000 2.254 148 M HA -0.123 4.358 4.480 0.002 0.000 0.265 148 M C 0.770 176.776 176.300 -0.491 0.000 1.066 148 M CA 1.996 56.589 55.300 -1.178 0.000 1.123 148 M CB 0.269 31.975 32.600 -1.490 0.000 1.388 148 M HN 0.264 nan 8.290 nan 0.000 0.425 149 E N -0.083 119.936 120.200 -0.301 0.000 2.501 149 E HA 0.108 4.459 4.350 0.002 0.000 0.200 149 E C -0.359 176.198 176.600 -0.072 0.000 1.016 149 E CA -0.011 56.295 56.400 -0.156 0.000 0.921 149 E CB 0.602 30.212 29.700 -0.150 0.000 1.034 149 E HN 0.388 nan 8.360 nan 0.000 0.468 150 K N 0.407 120.788 120.400 -0.031 0.000 3.239 150 K HA 0.259 4.580 4.320 0.002 0.000 0.204 150 K C -0.998 175.693 176.600 0.151 0.000 1.126 150 K CA -0.325 55.989 56.287 0.045 0.000 0.948 150 K CB 0.597 33.102 32.500 0.008 0.000 0.818 150 K HN 0.009 nan 8.250 nan 0.000 0.480 151 C N 2.316 121.696 119.300 0.133 0.000 2.585 151 C HA 0.276 4.737 4.460 0.002 0.000 0.406 151 C C 0.582 175.641 174.990 0.116 0.000 1.312 151 C CA -0.659 58.454 59.018 0.158 0.000 1.924 151 C CB -0.783 27.061 27.740 0.173 0.000 2.578 151 C HN 0.654 nan 8.230 nan 0.000 0.580 152 D N 0.760 121.223 120.400 0.104 0.000 2.714 152 D HA 0.221 4.862 4.640 0.002 0.000 0.278 152 D C 0.744 177.082 176.300 0.064 0.000 1.102 152 D CA -0.718 53.330 54.000 0.079 0.000 1.108 152 D CB 0.216 41.059 40.800 0.072 0.000 1.444 152 D HN 0.577 nan 8.370 nan 0.000 0.568 153 E N -0.305 119.926 120.200 0.053 0.000 2.533 153 E HA -0.158 4.193 4.350 0.002 0.000 0.203 153 E C -0.290 176.325 176.600 0.026 0.000 1.101 153 E CA 0.881 57.304 56.400 0.038 0.000 0.894 153 E CB -0.685 29.035 29.700 0.033 0.000 0.843 153 E HN 0.526 nan 8.360 nan 0.000 0.552 154 N N -0.511 118.205 118.700 0.026 0.000 2.272 154 N HA 0.297 5.038 4.740 0.002 0.000 0.228 154 N C -0.331 175.174 175.510 -0.008 0.000 1.206 154 N CA -0.176 52.879 53.050 0.007 0.000 0.855 154 N CB 1.143 39.631 38.487 0.003 0.000 1.248 154 N HN -0.011 nan 8.380 nan 0.000 0.476 155 I N 1.509 122.082 120.570 0.004 0.000 2.499 155 I HA 0.323 4.494 4.170 0.002 0.000 0.288 155 I C -1.383 174.764 176.117 0.051 0.000 1.048 155 I CA -0.518 60.766 61.300 -0.027 0.000 1.062 155 I CB 2.623 40.535 38.000 -0.148 0.000 1.238 155 I HN -0.103 nan 8.210 nan 0.000 0.426 156 L N 5.493 126.755 121.223 0.066 0.000 2.365 156 L HA 0.501 4.842 4.340 0.002 0.000 0.273 156 L C -1.674 175.320 176.870 0.207 0.000 1.000 156 L CA -0.539 54.383 54.840 0.138 0.000 0.819 156 L CB 2.357 44.477 42.059 0.101 0.000 1.284 156 L HN 0.728 nan 8.230 nan 0.000 0.418 157 W N 5.821 127.158 121.300 0.062 0.000 2.702 157 W HA 0.586 5.247 4.660 0.002 0.000 0.331 157 W C -1.742 174.824 176.519 0.077 0.000 1.049 157 W CA -0.529 56.863 57.345 0.078 0.000 1.230 157 W CB 1.237 30.768 29.460 0.117 0.000 1.408 157 W HN 0.128 nan 8.180 nan 0.000 0.492 158 L N 5.127 125.897 121.223 -0.755 0.000 2.323 158 L HA 0.297 4.639 4.340 0.002 0.000 0.265 158 L C 0.780 176.898 176.870 -1.254 0.000 1.012 158 L CA -0.586 53.821 54.840 -0.722 0.000 0.820 158 L CB 1.589 43.467 42.059 -0.301 0.000 1.334 158 L HN 0.665 nan 8.230 nan 0.000 0.427 159 D N -0.887 119.057 120.400 -0.761 0.000 2.355 159 D HA -0.148 4.494 4.640 0.002 0.000 0.218 159 D C 0.490 176.703 176.300 -0.145 0.000 1.004 159 D CA 0.369 54.093 54.000 -0.460 0.000 0.880 159 D CB -0.276 40.458 40.800 -0.110 0.000 0.911 159 D HN 0.312 nan 8.370 nan 0.000 0.528 160 Y N 2.436 122.573 120.300 -0.271 0.000 2.620 160 Y HA 0.173 4.724 4.550 0.002 0.000 0.352 160 Y C 1.328 177.143 175.900 -0.143 0.000 1.140 160 Y CA -1.082 56.926 58.100 -0.153 0.000 1.529 160 Y CB 0.171 38.564 38.460 -0.112 0.000 1.321 160 Y HN -0.217 nan 8.280 nan 0.000 0.501 161 K N 2.999 123.308 120.400 -0.152 0.000 2.113 161 K HA -0.216 4.105 4.320 0.002 0.000 0.208 161 K C 0.959 177.319 176.600 -0.399 0.000 1.047 161 K CA 1.317 57.472 56.287 -0.221 0.000 0.928 161 K CB 0.207 32.657 32.500 -0.083 0.000 0.716 161 K HN 0.690 nan 8.250 nan 0.000 0.446 162 N N 1.143 119.407 118.700 -0.726 0.000 2.398 162 N HA -0.059 4.682 4.740 0.002 0.000 0.188 162 N C 1.583 176.615 175.510 -0.796 0.000 1.122 162 N CA 0.068 52.710 53.050 -0.680 0.000 0.866 162 N CB 0.100 38.309 38.487 -0.464 0.000 0.970 162 N HN 0.275 nan 8.380 nan 0.000 0.462 163 I N 0.530 120.450 120.570 -1.083 0.000 2.462 163 I HA -0.364 3.807 4.170 0.002 0.000 0.259 163 I C 1.373 177.354 176.117 -0.228 0.000 1.156 163 I CA 1.195 62.189 61.300 -0.510 0.000 1.417 163 I CB 0.048 37.943 38.000 -0.174 0.000 1.088 163 I HN 0.143 nan 8.210 nan 0.000 0.442 164 C N 0.168 119.323 119.300 -0.242 0.000 2.533 164 C HA 0.016 4.477 4.460 0.002 0.000 0.272 164 C C 2.522 177.431 174.990 -0.134 0.000 1.371 164 C CA 0.037 58.952 59.018 -0.170 0.000 1.758 164 C CB -0.783 26.848 27.740 -0.180 0.000 1.972 164 C HN 0.441 nan 8.230 nan 0.000 0.522 165 K N 0.422 120.741 120.400 -0.135 0.000 2.186 165 K HA 0.007 4.328 4.320 0.002 0.000 0.202 165 K C 1.907 178.473 176.600 -0.056 0.000 1.052 165 K CA 0.737 56.970 56.287 -0.090 0.000 0.965 165 K CB -0.173 32.274 32.500 -0.088 0.000 0.746 165 K HN 0.304 nan 8.250 nan 0.000 0.457 166 V N 1.017 120.906 119.914 -0.042 0.000 3.129 166 V HA -0.007 4.114 4.120 0.002 0.000 0.259 166 V C 0.325 176.423 176.094 0.007 0.000 1.116 166 V CA 0.561 62.872 62.300 0.018 0.000 1.127 166 V CB 0.575 32.472 31.823 0.123 0.000 0.742 166 V HN -0.127 nan 8.190 nan 0.000 0.474 167 V N 0.979 120.879 119.914 -0.022 0.000 2.823 167 V HA 0.545 4.666 4.120 0.002 0.000 0.312 167 V C -1.067 174.994 176.094 -0.054 0.000 1.072 167 V CA -0.975 61.305 62.300 -0.033 0.000 0.937 167 V CB 2.172 33.978 31.823 -0.028 0.000 1.013 167 V HN 0.360 nan 8.190 nan 0.000 0.430 168 D N 1.460 121.829 120.400 -0.053 0.000 2.497 168 D HA 0.472 5.113 4.640 0.002 0.000 0.243 168 D C -0.519 175.749 176.300 -0.052 0.000 1.039 168 D CA -0.602 53.365 54.000 -0.056 0.000 1.052 168 D CB 1.863 42.633 40.800 -0.050 0.000 1.344 168 D HN 0.204 nan 8.370 nan 0.000 0.553 169 V N 0.536 120.420 119.914 -0.050 0.000 2.540 169 V HA 0.371 4.492 4.120 0.002 0.000 0.297 169 V C 1.540 177.613 176.094 -0.035 0.000 1.024 169 V CA 1.650 63.925 62.300 -0.041 0.000 1.105 169 V CB 0.083 31.884 31.823 -0.035 0.000 0.938 169 V HN 1.007 nan 8.190 nan 0.000 0.482 170 G N 3.652 112.433 108.800 -0.030 0.000 2.218 170 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 170 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 170 G C 0.479 175.358 174.900 -0.036 0.000 0.994 170 G CA 0.123 45.207 45.100 -0.028 0.000 0.637 170 G HN 0.712 nan 8.290 nan 0.000 0.505 171 S N 0.374 116.047 115.700 -0.046 0.000 2.589 171 S HA 0.519 4.990 4.470 0.002 0.000 0.265 171 S C 0.505 175.067 174.600 -0.062 0.000 1.342 171 S CA 0.352 58.515 58.200 -0.062 0.000 1.005 171 S CB 1.065 64.227 63.200 -0.063 0.000 0.909 171 S HN 0.479 nan 8.310 nan 0.000 0.555 172 K N 0.618 120.955 120.400 -0.104 0.000 2.156 172 K HA 0.674 4.995 4.320 0.002 0.000 0.250 172 K C -1.502 174.998 176.600 -0.167 0.000 0.955 172 K CA -0.562 55.652 56.287 -0.122 0.000 0.855 172 K CB 1.475 33.869 32.500 -0.177 0.000 1.101 172 K HN 0.299 nan 8.250 nan 0.000 0.434 173 V N 3.265 123.129 119.914 -0.083 0.000 2.525 173 V HA 0.328 4.450 4.120 0.002 0.000 0.299 173 V C -1.480 174.724 176.094 0.183 0.000 1.034 173 V CA -0.950 61.339 62.300 -0.019 0.000 0.863 173 V CB 1.101 32.938 31.823 0.023 0.000 0.999 173 V HN 0.590 nan 8.190 nan 0.000 0.423 174 Y N 3.520 123.832 120.300 0.020 0.000 2.335 174 Y HA 0.711 5.261 4.550 0.001 0.000 0.338 174 Y C 0.072 175.979 175.900 0.011 0.000 0.977 174 Y CA -1.398 56.712 58.100 0.017 0.000 1.114 174 Y CB 2.061 40.532 38.460 0.019 0.000 1.182 174 Y HN 0.383 nan 8.280 nan 0.000 0.463 175 V N 2.713 122.730 119.914 0.171 0.000 2.715 175 V HA 0.342 4.463 4.120 0.002 0.000 0.310 175 V C -0.139 175.987 176.094 0.054 0.000 1.054 175 V CA -1.186 61.171 62.300 0.094 0.000 0.928 175 V CB 1.724 33.595 31.823 0.079 0.000 1.007 175 V HN 0.769 nan 8.190 nan 0.000 0.437 176 D N 2.917 123.345 120.400 0.047 0.000 2.760 176 D HA -0.162 4.479 4.640 0.002 0.000 0.244 176 D C 0.129 176.438 176.300 0.014 0.000 1.123 176 D CA 0.994 55.014 54.000 0.033 0.000 0.719 176 D CB -1.028 39.795 40.800 0.039 0.000 1.045 176 D HN 0.910 nan 8.370 nan 0.000 0.426 177 D N -0.630 119.780 120.400 0.017 0.000 2.689 177 D HA -0.123 4.518 4.640 0.002 0.000 0.237 177 D C 1.336 177.617 176.300 -0.032 0.000 1.148 177 D CA 2.477 56.480 54.000 0.005 0.000 0.656 177 D CB -1.413 39.389 40.800 0.003 0.000 1.050 177 D HN 0.986 nan 8.370 nan 0.000 0.426 178 G N -1.454 107.306 108.800 -0.066 0.000 2.176 178 G HA2 -0.408 3.554 3.960 0.002 0.000 0.253 178 G HA3 -0.408 3.554 3.960 0.002 0.000 0.253 178 G C 1.135 175.862 174.900 -0.290 0.000 0.979 178 G CA 0.494 45.427 45.100 -0.279 0.000 0.641 178 G HN 0.498 nan 8.290 nan 0.000 0.530 179 L N -0.391 120.753 121.223 -0.132 0.000 2.046 179 L HA 0.284 4.625 4.340 0.002 0.000 0.208 179 L C 1.273 178.089 176.870 -0.089 0.000 1.077 179 L CA 1.426 56.213 54.840 -0.090 0.000 0.747 179 L CB -0.021 42.023 42.059 -0.024 0.000 0.896 179 L HN 0.386 nan 8.230 nan 0.000 0.432 180 I N -1.827 118.705 120.570 -0.062 0.000 2.493 180 I HA 0.216 4.387 4.170 0.002 0.000 0.298 180 I C -0.179 175.942 176.117 0.006 0.000 0.998 180 I CA 0.062 61.345 61.300 -0.027 0.000 1.137 180 I CB 1.928 39.932 38.000 0.008 0.000 1.310 180 I HN -0.204 nan 8.210 nan 0.000 0.445 181 S N 7.159 122.884 115.700 0.042 0.000 2.707 181 S HA 0.823 5.294 4.470 0.002 0.000 0.303 181 S C -1.049 173.634 174.600 0.139 0.000 1.132 181 S CA -0.650 57.657 58.200 0.179 0.000 1.046 181 S CB 0.349 63.637 63.200 0.147 0.000 1.004 181 S HN 0.432 nan 8.310 nan 0.000 0.483 182 L N 2.696 124.004 121.223 0.142 0.000 2.333 182 L HA 0.719 5.061 4.340 0.002 0.000 0.269 182 L C -0.231 176.676 176.870 0.061 0.000 1.010 182 L CA -0.976 53.912 54.840 0.079 0.000 0.818 182 L CB 1.411 43.504 42.059 0.056 0.000 1.306 182 L HN 0.671 nan 8.230 nan 0.000 0.430 183 Q N 1.056 120.880 119.800 0.040 0.000 2.290 183 Q HA 0.508 4.850 4.340 0.002 0.000 0.259 183 Q C -1.162 174.844 176.000 0.009 0.000 0.941 183 Q CA -0.816 54.999 55.803 0.020 0.000 0.912 183 Q CB 1.974 30.724 28.738 0.019 0.000 1.244 183 Q HN 0.617 nan 8.270 nan 0.000 0.441 184 V N 5.566 125.477 119.914 -0.006 0.000 2.425 184 V HA -0.004 4.117 4.120 0.002 0.000 0.276 184 V C 0.826 176.914 176.094 -0.009 0.000 1.017 184 V CA 0.243 62.536 62.300 -0.012 0.000 1.062 184 V CB 0.616 32.422 31.823 -0.030 0.000 0.997 184 V HN 0.789 nan 8.190 nan 0.000 0.476 185 K N 2.898 123.298 120.400 0.001 0.000 2.352 185 K HA 0.172 4.493 4.320 0.002 0.000 0.194 185 K C 0.489 177.091 176.600 0.004 0.000 1.038 185 K CA 0.421 56.711 56.287 0.005 0.000 1.023 185 K CB 0.410 32.918 32.500 0.014 0.000 0.840 185 K HN 0.861 nan 8.250 nan 0.000 0.519 186 Q N 0.044 119.844 119.800 0.000 0.000 2.364 186 Q HA 0.233 4.575 4.340 0.002 0.000 0.251 186 Q C -1.371 174.598 176.000 -0.052 0.000 0.927 186 Q CA -0.467 55.334 55.803 -0.004 0.000 0.924 186 Q CB 1.435 30.198 28.738 0.041 0.000 1.419 186 Q HN -0.135 nan 8.270 nan 0.000 0.427 187 K N 1.419 121.761 120.400 -0.097 0.000 2.140 187 K HA 0.865 5.186 4.320 0.002 0.000 0.237 187 K C -0.305 176.076 176.600 -0.365 0.000 1.045 187 K CA 0.276 56.446 56.287 -0.195 0.000 0.896 187 K CB 0.845 33.249 32.500 -0.160 0.000 1.122 187 K HN 0.785 nan 8.250 nan 0.000 0.503 188 G N -0.312 108.127 108.800 -0.602 0.000 2.559 188 G HA2 0.297 4.258 3.960 0.002 0.000 0.291 188 G HA3 0.297 4.258 3.960 0.002 0.000 0.291 188 G C -2.552 171.934 174.900 -0.691 0.000 1.424 188 G CA -0.980 43.454 45.100 -1.110 0.000 0.786 188 G HN 0.430 nan 8.290 nan 0.000 0.485 189 P HA 0.125 nan 4.420 nan 0.000 0.224 189 P C 0.638 177.867 177.300 -0.118 0.000 1.157 189 P CA 1.576 64.567 63.100 -0.183 0.000 0.799 189 P CB 0.341 32.024 31.700 -0.028 0.000 0.809 190 D N -2.576 117.791 120.400 -0.056 0.000 2.510 190 D HA 0.083 4.725 4.640 0.002 0.000 0.234 190 D C 0.208 176.582 176.300 0.124 0.000 1.178 190 D CA -0.438 53.604 54.000 0.070 0.000 0.816 190 D CB -0.036 40.870 40.800 0.177 0.000 1.143 190 D HN 0.142 nan 8.370 nan 0.000 0.526 191 F N -0.471 119.460 119.950 -0.032 0.000 2.640 191 F HA 0.797 5.325 4.527 0.002 0.000 0.324 191 F C -1.688 174.088 175.800 -0.039 0.000 1.077 191 F CA -1.671 56.306 58.000 -0.038 0.000 0.965 191 F CB 1.090 40.067 39.000 -0.038 0.000 1.351 191 F HN -0.226 nan 8.300 nan 0.000 0.487 192 L N 1.631 122.889 121.223 0.058 0.000 2.401 192 L HA 0.671 5.013 4.340 0.002 0.000 0.266 192 L C -1.120 175.821 176.870 0.118 0.000 0.991 192 L CA -0.992 53.831 54.840 -0.029 0.000 0.818 192 L CB 2.256 44.293 42.059 -0.038 0.000 1.321 192 L HN 0.647 nan 8.230 nan 0.000 0.413 193 V N 2.429 122.401 119.914 0.096 0.000 2.293 193 V HA 0.494 4.615 4.120 0.002 0.000 0.275 193 V C 0.230 176.354 176.094 0.051 0.000 1.021 193 V CA -0.398 61.967 62.300 0.110 0.000 0.815 193 V CB 1.554 33.468 31.823 0.151 0.000 1.025 193 V HN 0.924 nan 8.190 nan 0.000 0.448 194 T N 1.821 116.400 114.554 0.043 0.000 2.944 194 T HA 0.728 5.079 4.350 0.002 0.000 0.284 194 T C -0.444 174.272 174.700 0.027 0.000 1.010 194 T CA -0.689 61.428 62.100 0.029 0.000 1.025 194 T CB 2.207 71.094 68.868 0.030 0.000 1.079 194 T HN 0.701 nan 8.240 nan 0.000 0.516 195 E N 0.888 121.101 120.200 0.022 0.000 2.212 195 E HA 0.546 4.897 4.350 0.002 0.000 0.268 195 E C -1.274 175.338 176.600 0.019 0.000 0.902 195 E CA -1.085 55.326 56.400 0.018 0.000 0.779 195 E CB 2.000 31.708 29.700 0.014 0.000 1.172 195 E HN 0.501 nan 8.360 nan 0.000 0.409 196 V N 3.579 123.501 119.914 0.012 0.000 2.555 196 V HA 0.138 4.259 4.120 0.002 0.000 0.286 196 V C -0.044 176.056 176.094 0.010 0.000 1.044 196 V CA 0.168 62.474 62.300 0.010 0.000 1.026 196 V CB 1.043 32.863 31.823 -0.005 0.000 0.981 196 V HN 0.740 nan 8.190 nan 0.000 0.480 197 E N 4.978 125.189 120.200 0.020 0.000 2.216 197 E HA 0.349 4.700 4.350 0.002 0.000 0.260 197 E C -0.452 176.155 176.600 0.011 0.000 0.880 197 E CA -0.647 55.766 56.400 0.021 0.000 0.765 197 E CB 0.561 30.287 29.700 0.044 0.000 1.174 197 E HN 0.782 nan 8.360 nan 0.000 0.417 198 N N 2.482 121.178 118.700 -0.008 0.000 2.573 198 N HA -0.157 4.584 4.740 0.002 0.000 0.275 198 N C -0.467 175.020 175.510 -0.039 0.000 1.208 198 N CA 0.855 53.889 53.050 -0.026 0.000 0.688 198 N CB -0.376 38.093 38.487 -0.030 0.000 0.882 198 N HN 0.633 nan 8.380 nan 0.000 0.548 199 G N -0.471 108.294 108.800 -0.057 0.000 2.557 199 G HA2 0.874 4.835 3.960 0.002 0.000 0.302 199 G HA3 0.874 4.835 3.960 0.002 0.000 0.302 199 G C 0.658 175.476 174.900 -0.136 0.000 1.311 199 G CA 0.133 45.182 45.100 -0.084 0.000 1.030 199 G HN 0.683 nan 8.290 nan 0.000 0.509 200 G N -1.844 106.826 108.800 -0.216 0.000 2.552 200 G HA2 0.365 4.326 3.960 0.002 0.000 0.137 200 G HA3 0.365 4.326 3.960 0.002 0.000 0.137 200 G C -1.685 172.897 174.900 -0.529 0.000 1.135 200 G CA -0.774 44.099 45.100 -0.378 0.000 1.047 200 G HN 0.475 nan 8.290 nan 0.000 0.501 201 F N 1.405 121.360 119.950 0.008 0.000 2.388 201 F HA 0.585 5.113 4.527 0.002 0.000 0.358 201 F C 0.409 176.219 175.800 0.016 0.000 1.122 201 F CA -0.664 57.343 58.000 0.012 0.000 1.056 201 F CB 1.941 40.947 39.000 0.009 0.000 1.155 201 F HN 0.175 nan 8.300 nan 0.000 0.461 202 L N 4.797 126.147 121.223 0.212 0.000 2.328 202 L HA 0.421 4.762 4.340 0.002 0.000 0.280 202 L C 0.703 177.651 176.870 0.131 0.000 1.111 202 L CA -0.047 54.876 54.840 0.138 0.000 0.909 202 L CB -0.278 41.839 42.059 0.097 0.000 1.277 202 L HN 0.787 nan 8.230 nan 0.000 0.433 203 G N 2.402 111.270 108.800 0.112 0.000 2.489 203 G HA2 0.151 4.112 3.960 0.002 0.000 0.271 203 G HA3 0.151 4.112 3.960 0.002 0.000 0.271 203 G C -0.451 174.498 174.900 0.081 0.000 1.427 203 G CA -0.315 44.835 45.100 0.083 0.000 1.057 203 G HN 0.493 nan 8.290 nan 0.000 0.532 204 S N -1.288 114.454 115.700 0.069 0.000 2.537 204 S HA 0.481 4.952 4.470 0.002 0.000 0.301 204 S C -0.128 174.519 174.600 0.078 0.000 1.092 204 S CA -0.450 57.797 58.200 0.078 0.000 1.048 204 S CB 1.037 64.275 63.200 0.064 0.000 1.053 204 S HN 0.564 nan 8.310 nan 0.000 0.501 205 K N 1.284 121.744 120.400 0.100 0.000 3.974 205 K HA -0.164 4.157 4.320 0.002 0.000 0.280 205 K C -1.247 175.397 176.600 0.074 0.000 0.949 205 K CA 0.597 56.943 56.287 0.099 0.000 0.817 205 K CB -0.752 31.800 32.500 0.087 0.000 1.535 205 K HN 0.262 nan 8.250 nan 0.000 0.444 206 K N -0.153 120.291 120.400 0.074 0.000 2.221 206 K HA 0.606 4.927 4.320 0.002 0.000 0.243 206 K C 0.250 176.875 176.600 0.042 0.000 0.968 206 K CA -0.202 56.119 56.287 0.056 0.000 0.846 206 K CB 1.794 34.331 32.500 0.062 0.000 1.141 206 K HN 0.292 nan 8.250 nan 0.000 0.434 207 G N 0.344 109.159 108.800 0.025 0.000 2.372 207 G HA2 0.491 4.452 3.960 0.002 0.000 0.283 207 G HA3 0.491 4.452 3.960 0.002 0.000 0.283 207 G C -0.844 174.063 174.900 0.012 0.000 1.177 207 G CA -0.397 44.704 45.100 0.001 0.000 0.842 207 G HN 0.284 nan 8.290 nan 0.000 0.503 208 V N 2.567 122.475 119.914 -0.009 0.000 2.732 208 V HA 0.540 4.662 4.120 0.002 0.000 0.310 208 V C -0.147 175.937 176.094 -0.016 0.000 1.053 208 V CA -1.032 61.274 62.300 0.010 0.000 0.957 208 V CB 1.905 33.730 31.823 0.004 0.000 1.018 208 V HN 0.775 nan 8.190 nan 0.000 0.452 209 N N 2.382 121.100 118.700 0.031 0.000 2.406 209 N HA 0.439 5.180 4.740 0.002 0.000 0.283 209 N C -1.826 173.671 175.510 -0.020 0.000 1.074 209 N CA -0.537 52.525 53.050 0.021 0.000 0.916 209 N CB 2.528 41.073 38.487 0.098 0.000 1.639 209 N HN 0.359 nan 8.380 nan 0.000 0.485 210 L N 2.818 124.027 121.223 -0.023 0.000 2.504 210 L HA 0.368 4.709 4.340 0.002 0.000 0.249 210 L C -2.236 174.590 176.870 -0.073 0.000 1.120 210 L CA -1.536 53.264 54.840 -0.067 0.000 0.997 210 L CB 0.247 42.305 42.059 -0.002 0.000 1.349 210 L HN 0.249 nan 8.230 nan 0.000 0.439 211 P HA 0.067 nan 4.420 nan 0.000 0.261 211 P C 1.075 178.333 177.300 -0.071 0.000 1.173 211 P CA 0.745 63.812 63.100 -0.053 0.000 0.760 211 P CB 0.704 32.274 31.700 -0.217 0.000 0.783 212 G N 1.399 110.202 108.800 0.004 0.000 2.160 212 G HA2 -0.039 3.922 3.960 0.002 0.000 0.251 212 G HA3 -0.039 3.922 3.960 0.002 0.000 0.251 212 G C 0.208 175.036 174.900 -0.121 0.000 1.008 212 G CA 0.078 45.022 45.100 -0.259 0.000 0.724 212 G HN 0.904 nan 8.290 nan 0.000 0.514 213 A N -0.773 122.023 122.820 -0.040 0.000 2.380 213 A HA 0.966 5.287 4.320 0.002 0.000 0.315 213 A C 0.569 178.148 177.584 -0.008 0.000 1.101 213 A CA 0.342 52.365 52.037 -0.024 0.000 0.771 213 A CB 1.495 20.489 19.000 -0.010 0.000 1.287 213 A HN 1.903 nan 8.150 nan 0.000 0.436 214 A N 1.575 124.392 122.820 -0.006 0.000 3.077 214 A HA 0.473 4.794 4.320 0.002 0.000 0.255 214 A C 0.226 177.822 177.584 0.021 0.000 1.728 214 A CA -0.206 51.825 52.037 -0.009 0.000 1.383 214 A CB -1.321 17.673 19.000 -0.010 0.000 1.097 214 A HN 0.970 nan 8.150 nan 0.000 0.634 215 V N 1.566 121.486 119.914 0.011 0.000 2.506 215 V HA -0.099 4.022 4.120 0.002 0.000 0.296 215 V C 1.365 177.480 176.094 0.034 0.000 1.004 215 V CA 0.843 63.164 62.300 0.034 0.000 1.150 215 V CB 0.168 32.002 31.823 0.018 0.000 0.911 215 V HN 0.792 nan 8.190 nan 0.000 0.476 216 D N 3.696 124.177 120.400 0.135 0.000 2.350 216 D HA -0.023 4.618 4.640 0.002 0.000 0.216 216 D C 0.861 177.236 176.300 0.126 0.000 0.968 216 D CA 0.416 54.502 54.000 0.142 0.000 0.894 216 D CB 0.046 41.002 40.800 0.260 0.000 0.909 216 D HN 0.543 nan 8.370 nan 0.000 0.520 217 L N 1.259 122.537 121.223 0.091 0.000 2.499 217 L HA 0.104 4.445 4.340 0.002 0.000 0.281 217 L C -1.680 175.229 176.870 0.065 0.000 1.234 217 L CA -1.156 53.729 54.840 0.074 0.000 0.839 217 L CB -0.132 41.936 42.059 0.016 0.000 1.104 217 L HN -0.007 nan 8.230 nan 0.000 0.500 218 P HA -0.042 nan 4.420 nan 0.000 0.265 218 P C -0.026 177.308 177.300 0.056 0.000 1.193 218 P CA 0.025 63.159 63.100 0.057 0.000 0.765 218 P CB 0.773 32.508 31.700 0.058 0.000 0.823 219 A N 3.063 125.907 122.820 0.040 0.000 2.024 219 A HA -0.027 4.294 4.320 0.002 0.000 0.220 219 A C 1.048 178.663 177.584 0.052 0.000 1.164 219 A CA 1.509 53.567 52.037 0.034 0.000 0.643 219 A CB -0.298 18.713 19.000 0.019 0.000 0.806 219 A HN 0.458 nan 8.150 nan 0.000 0.451 220 V N -1.577 118.368 119.914 0.051 0.000 3.167 220 V HA 0.608 4.729 4.120 0.002 0.000 0.310 220 V C -0.408 175.716 176.094 0.050 0.000 1.207 220 V CA 0.030 62.361 62.300 0.050 0.000 1.059 220 V CB 2.441 34.288 31.823 0.040 0.000 1.079 220 V HN 0.570 nan 8.190 nan 0.000 0.446 221 S N 0.163 115.891 115.700 0.047 0.000 2.600 221 S HA 0.482 4.953 4.470 0.002 0.000 0.300 221 S C 0.654 175.283 174.600 0.047 0.000 1.087 221 S CA -0.089 58.138 58.200 0.046 0.000 0.965 221 S CB 1.759 64.984 63.200 0.041 0.000 1.089 221 S HN 0.790 nan 8.310 nan 0.000 0.496 222 E N 0.938 121.166 120.200 0.048 0.000 2.136 222 E HA -0.278 4.073 4.350 0.002 0.000 0.202 222 E C 1.806 178.440 176.600 0.057 0.000 1.019 222 E CA 1.823 58.253 56.400 0.049 0.000 0.819 222 E CB -0.118 29.610 29.700 0.047 0.000 0.739 222 E HN 0.725 nan 8.360 nan 0.000 0.458 223 K N 0.333 120.769 120.400 0.060 0.000 2.001 223 K HA -0.185 4.136 4.320 0.002 0.000 0.208 223 K C 1.793 178.445 176.600 0.087 0.000 1.048 223 K CA 1.790 58.125 56.287 0.080 0.000 0.932 223 K CB -0.034 32.514 32.500 0.080 0.000 0.715 223 K HN 0.002 nan 8.250 nan 0.000 0.437 224 D N 0.962 121.401 120.400 0.064 0.000 2.172 224 D HA -0.203 4.438 4.640 0.002 0.000 0.196 224 D C 1.851 178.169 176.300 0.031 0.000 0.999 224 D CA 1.225 55.250 54.000 0.043 0.000 0.856 224 D CB -0.138 40.685 40.800 0.039 0.000 0.934 224 D HN 0.299 nan 8.370 nan 0.000 0.453 225 I N 0.536 121.133 120.570 0.045 0.000 2.090 225 I HA -0.336 3.835 4.170 0.002 0.000 0.236 225 I C 2.367 178.520 176.117 0.060 0.000 1.064 225 I CA 1.347 62.673 61.300 0.044 0.000 1.324 225 I CB -0.324 37.704 38.000 0.046 0.000 1.044 225 I HN 0.028 nan 8.210 nan 0.000 0.399 226 Q N 0.222 120.078 119.800 0.092 0.000 2.297 226 Q HA -0.215 4.126 4.340 0.002 0.000 0.208 226 Q C 1.418 177.526 176.000 0.180 0.000 0.981 226 Q CA 1.493 57.385 55.803 0.148 0.000 0.876 226 Q CB -0.403 28.435 28.738 0.167 0.000 0.921 226 Q HN 0.409 nan 8.270 nan 0.000 0.446 227 D N 0.536 120.995 120.400 0.098 0.000 2.123 227 D HA -0.042 4.599 4.640 0.002 0.000 0.200 227 D C 1.720 177.928 176.300 -0.153 0.000 0.976 227 D CA 0.782 54.751 54.000 -0.052 0.000 0.831 227 D CB -0.003 40.759 40.800 -0.062 0.000 0.974 227 D HN 0.242 nan 8.370 nan 0.000 0.469 228 L N 0.662 121.836 121.223 -0.081 0.000 1.988 228 L HA -0.158 4.183 4.340 0.002 0.000 0.207 228 L C 2.351 179.189 176.870 -0.052 0.000 1.071 228 L CA 1.205 55.989 54.840 -0.092 0.000 0.744 228 L CB -0.417 41.614 42.059 -0.046 0.000 0.893 228 L HN -0.031 nan 8.230 nan 0.000 0.433 229 K N -0.224 120.184 120.400 0.013 0.000 2.089 229 K HA -0.272 4.049 4.320 0.002 0.000 0.210 229 K C 2.081 178.709 176.600 0.047 0.000 1.048 229 K CA 2.025 58.334 56.287 0.036 0.000 0.926 229 K CB -0.631 31.913 32.500 0.073 0.000 0.714 229 K HN 0.147 nan 8.250 nan 0.000 0.448 230 F N 1.791 121.690 119.950 -0.086 0.000 2.171 230 F HA -0.074 4.454 4.527 0.002 0.000 0.300 230 F C 2.177 177.887 175.800 -0.149 0.000 1.090 230 F CA 1.671 59.607 58.000 -0.107 0.000 1.293 230 F CB -0.594 38.255 39.000 -0.251 0.000 1.013 230 F HN 0.011 nan 8.300 nan 0.000 0.486 231 G N 0.004 108.690 108.800 -0.190 0.000 2.422 231 G HA2 -0.194 3.767 3.960 0.002 0.000 0.218 231 G HA3 -0.194 3.767 3.960 0.002 0.000 0.218 231 G C 1.766 176.512 174.900 -0.256 0.000 1.146 231 G CA 1.064 45.985 45.100 -0.299 0.000 0.769 231 G HN 0.352 nan 8.290 nan 0.000 0.547 232 V N 0.927 120.738 119.914 -0.171 0.000 2.261 232 V HA -0.145 3.977 4.120 0.002 0.000 0.246 232 V C 2.753 178.757 176.094 -0.150 0.000 1.047 232 V CA 2.029 64.255 62.300 -0.123 0.000 1.015 232 V CB -0.339 31.443 31.823 -0.067 0.000 0.642 232 V HN 0.370 nan 8.190 nan 0.000 0.446 233 E N -0.193 119.902 120.200 -0.174 0.000 2.267 233 E HA -0.226 4.125 4.350 0.002 0.000 0.197 233 E C 1.978 178.429 176.600 -0.249 0.000 0.998 233 E CA 0.886 57.181 56.400 -0.175 0.000 0.830 233 E CB -0.180 29.430 29.700 -0.151 0.000 0.751 233 E HN 0.621 nan 8.360 nan 0.000 0.491 234 Q N 0.232 119.811 119.800 -0.370 0.000 2.319 234 Q HA -0.001 4.340 4.340 0.002 0.000 0.202 234 Q C -0.281 175.604 176.000 -0.192 0.000 0.896 234 Q CA -0.007 55.584 55.803 -0.354 0.000 0.942 234 Q CB 0.452 28.826 28.738 -0.606 0.000 1.083 234 Q HN 0.100 nan 8.270 nan 0.000 0.510 235 D N 0.521 120.833 120.400 -0.148 0.000 2.723 235 D HA -0.131 4.510 4.640 0.002 0.000 0.236 235 D C -0.303 175.954 176.300 -0.073 0.000 1.138 235 D CA 0.489 54.437 54.000 -0.087 0.000 0.676 235 D CB -1.327 39.437 40.800 -0.060 0.000 1.069 235 D HN 0.178 nan 8.370 nan 0.000 0.430 236 V N -2.543 117.311 119.914 -0.100 0.000 2.740 236 V HA 0.179 4.300 4.120 0.002 0.000 0.303 236 V C 1.495 177.561 176.094 -0.047 0.000 1.054 236 V CA -0.015 62.234 62.300 -0.084 0.000 1.106 236 V CB 1.257 33.005 31.823 -0.125 0.000 0.957 236 V HN -0.026 nan 8.190 nan 0.000 0.486 237 D N 3.380 123.765 120.400 -0.025 0.000 2.317 237 D HA 0.120 4.761 4.640 0.002 0.000 0.211 237 D C 0.605 176.919 176.300 0.024 0.000 0.966 237 D CA 1.418 55.429 54.000 0.019 0.000 0.876 237 D CB 0.343 41.173 40.800 0.049 0.000 0.927 237 D HN 0.838 nan 8.370 nan 0.000 0.519 238 M N -2.381 117.206 119.600 -0.022 0.000 2.790 238 M HA 0.372 4.854 4.480 0.002 0.000 0.272 238 M C -1.991 174.268 176.300 -0.069 0.000 1.168 238 M CA -0.883 54.422 55.300 0.008 0.000 0.829 238 M CB 2.692 35.352 32.600 0.099 0.000 1.675 238 M HN -0.416 nan 8.290 nan 0.000 0.505 239 V N 2.850 122.777 119.914 0.022 0.000 2.380 239 V HA 0.454 4.575 4.120 0.002 0.000 0.286 239 V C -1.210 175.015 176.094 0.218 0.000 1.015 239 V CA -0.361 61.940 62.300 0.002 0.000 0.834 239 V CB 1.424 33.233 31.823 -0.022 0.000 1.009 239 V HN 0.657 nan 8.190 nan 0.000 0.428 240 F N 4.001 123.946 119.950 -0.008 0.000 2.462 240 F HA 0.519 5.048 4.527 0.002 0.000 0.360 240 F C 0.911 176.714 175.800 0.004 0.000 1.134 240 F CA -1.070 56.931 58.000 0.001 0.000 1.148 240 F CB 0.205 39.213 39.000 0.013 0.000 1.147 240 F HN 0.498 nan 8.300 nan 0.000 0.550 241 A N 2.877 125.814 122.820 0.195 0.000 2.309 241 A HA 0.542 4.863 4.320 0.002 0.000 0.298 241 A C 0.338 177.990 177.584 0.114 0.000 1.165 241 A CA -0.439 51.666 52.037 0.114 0.000 0.821 241 A CB 0.363 19.405 19.000 0.070 0.000 1.102 241 A HN 0.592 nan 8.150 nan 0.000 0.500 242 S N 1.142 116.911 115.700 0.115 0.000 2.545 242 S HA 0.465 4.936 4.470 0.002 0.000 0.275 242 S C -0.233 174.499 174.600 0.221 0.000 1.299 242 S CA 0.037 58.320 58.200 0.139 0.000 1.048 242 S CB -0.142 63.121 63.200 0.105 0.000 0.938 242 S HN 1.182 nan 8.310 nan 0.000 0.496 243 F N 2.609 122.560 119.950 0.001 0.000 2.688 243 F HA -0.157 4.371 4.527 0.001 0.000 0.276 243 F C -0.925 174.867 175.800 -0.013 0.000 1.034 243 F CA -0.287 57.707 58.000 -0.010 0.000 0.991 243 F CB -1.027 37.960 39.000 -0.021 0.000 1.119 243 F HN 0.351 nan 8.300 nan 0.000 0.837 244 I N 4.348 124.900 120.570 -0.030 0.000 2.395 244 I HA 0.200 4.371 4.170 0.002 0.000 0.289 244 I C 1.337 177.327 176.117 -0.212 0.000 1.023 244 I CA 0.105 61.340 61.300 -0.108 0.000 1.350 244 I CB 1.360 39.321 38.000 -0.066 0.000 1.409 244 I HN 0.422 nan 8.210 nan 0.000 0.507 245 R N 4.409 124.756 120.500 -0.256 0.000 2.369 245 R HA 0.213 4.554 4.340 0.002 0.000 0.210 245 R C 0.006 176.212 176.300 -0.156 0.000 0.881 245 R CA 0.118 56.062 56.100 -0.260 0.000 1.031 245 R CB 0.694 30.787 30.300 -0.346 0.000 1.184 245 R HN 0.652 nan 8.270 nan 0.000 0.581 246 K N -1.933 118.383 120.400 -0.140 0.000 2.658 246 K HA 0.424 4.745 4.320 0.002 0.000 0.293 246 K C -0.296 176.223 176.600 -0.134 0.000 1.026 246 K CA -0.127 56.090 56.287 -0.115 0.000 0.871 246 K CB 0.779 33.225 32.500 -0.089 0.000 1.524 246 K HN -0.133 nan 8.250 nan 0.000 0.400 247 A N 1.037 123.775 122.820 -0.137 0.000 1.908 247 A HA -0.076 4.245 4.320 0.002 0.000 0.218 247 A C 2.260 179.713 177.584 -0.217 0.000 1.181 247 A CA 2.478 54.389 52.037 -0.210 0.000 0.627 247 A CB -1.196 17.712 19.000 -0.154 0.000 0.818 247 A HN 0.906 nan 8.150 nan 0.000 0.445 248 A N 0.073 122.864 122.820 -0.050 0.000 2.032 248 A HA -0.237 4.085 4.320 0.002 0.000 0.221 248 A C 1.649 179.239 177.584 0.010 0.000 1.165 248 A CA 2.000 54.064 52.037 0.045 0.000 0.645 248 A CB -0.535 18.489 19.000 0.039 0.000 0.807 248 A HN 0.549 nan 8.150 nan 0.000 0.453 249 D N -0.197 120.166 120.400 -0.061 0.000 2.137 249 D HA -0.065 4.576 4.640 0.002 0.000 0.202 249 D C 2.073 178.334 176.300 -0.064 0.000 0.970 249 D CA 1.558 55.528 54.000 -0.050 0.000 0.837 249 D CB -0.573 40.186 40.800 -0.068 0.000 0.981 249 D HN 0.330 nan 8.370 nan 0.000 0.475 250 V N 0.577 120.394 119.914 -0.161 0.000 2.594 250 V HA -0.216 3.905 4.120 0.002 0.000 0.253 250 V C 2.024 178.040 176.094 -0.129 0.000 1.069 250 V CA 1.481 63.674 62.300 -0.179 0.000 1.082 250 V CB -1.045 30.604 31.823 -0.291 0.000 0.680 250 V HN 0.253 nan 8.190 nan 0.000 0.469 251 H N -0.081 118.978 119.070 -0.018 0.000 2.326 251 H HA -0.087 4.470 4.556 0.002 0.000 0.301 251 H C 2.578 177.903 175.328 -0.005 0.000 1.081 251 H CA 1.341 57.381 56.048 -0.012 0.000 1.334 251 H CB 0.152 29.905 29.762 -0.015 0.000 1.385 251 H HN 0.326 nan 8.280 nan 0.000 0.504 252 E N 0.551 120.832 120.200 0.136 0.000 2.097 252 E HA -0.152 4.199 4.350 0.002 0.000 0.196 252 E C 2.413 179.048 176.600 0.058 0.000 1.000 252 E CA 1.072 57.519 56.400 0.078 0.000 0.804 252 E CB -0.125 29.606 29.700 0.052 0.000 0.740 252 E HN 0.290 nan 8.360 nan 0.000 0.454 253 V N 0.721 120.663 119.914 0.047 0.000 2.490 253 V HA -0.236 3.886 4.120 0.002 0.000 0.250 253 V C 2.440 178.557 176.094 0.039 0.000 1.061 253 V CA 1.717 64.037 62.300 0.034 0.000 1.064 253 V CB -0.522 31.314 31.823 0.022 0.000 0.670 253 V HN 0.108 nan 8.190 nan 0.000 0.461 254 R N 0.522 121.058 120.500 0.061 0.000 2.061 254 R HA -0.153 4.188 4.340 0.002 0.000 0.230 254 R C 2.432 178.757 176.300 0.042 0.000 1.140 254 R CA 1.873 58.008 56.100 0.059 0.000 0.940 254 R CB -0.399 29.958 30.300 0.095 0.000 0.839 254 R HN 0.451 nan 8.270 nan 0.000 0.429 255 K N 0.096 120.522 120.400 0.044 0.000 2.077 255 K HA -0.214 4.107 4.320 0.002 0.000 0.213 255 K C 1.817 178.431 176.600 0.024 0.000 1.051 255 K CA 1.976 58.280 56.287 0.028 0.000 0.929 255 K CB -0.152 32.365 32.500 0.029 0.000 0.715 255 K HN 0.090 nan 8.250 nan 0.000 0.451 256 I N 1.229 121.815 120.570 0.027 0.000 2.142 256 I HA -0.261 3.910 4.170 0.002 0.000 0.240 256 I C 2.312 178.438 176.117 0.015 0.000 1.078 256 I CA 1.393 62.706 61.300 0.022 0.000 1.343 256 I CB -1.165 36.848 38.000 0.022 0.000 1.046 256 I HN 0.247 nan 8.210 nan 0.000 0.405 257 L N 0.118 121.350 121.223 0.014 0.000 2.191 257 L HA -0.026 4.315 4.340 0.002 0.000 0.212 257 L C 1.737 178.613 176.870 0.009 0.000 1.103 257 L CA 0.831 55.674 54.840 0.006 0.000 0.769 257 L CB -0.937 41.124 42.059 0.005 0.000 0.908 257 L HN 0.495 nan 8.230 nan 0.000 0.438 258 G N -0.079 108.730 108.800 0.015 0.000 2.582 258 G HA2 -0.391 3.570 3.960 0.002 0.000 0.300 258 G HA3 -0.391 3.570 3.960 0.002 0.000 0.300 258 G C 0.804 175.711 174.900 0.013 0.000 1.300 258 G CA 0.563 45.671 45.100 0.014 0.000 0.959 258 G HN 0.304 nan 8.290 nan 0.000 0.548 259 E N -0.170 120.037 120.200 0.011 0.000 2.110 259 E HA -0.119 4.233 4.350 0.002 0.000 0.193 259 E C 2.610 179.216 176.600 0.010 0.000 0.988 259 E CA 1.223 57.629 56.400 0.011 0.000 0.804 259 E CB -0.159 29.547 29.700 0.010 0.000 0.745 259 E HN 0.441 nan 8.360 nan 0.000 0.458 260 K N -0.148 120.256 120.400 0.006 0.000 2.057 260 K HA -0.065 4.256 4.320 0.002 0.000 0.206 260 K C 1.120 177.721 176.600 0.001 0.000 1.050 260 K CA 1.011 57.299 56.287 0.002 0.000 0.935 260 K CB -0.017 32.481 32.500 -0.004 0.000 0.715 260 K HN 0.009 nan 8.250 nan 0.000 0.439 261 G N 1.833 110.633 108.800 0.001 0.000 3.818 261 G HA2 0.151 4.112 3.960 0.002 0.000 0.338 261 G HA3 0.151 4.112 3.960 0.002 0.000 0.338 261 G C 0.427 175.336 174.900 0.015 0.000 1.318 261 G CA -0.475 44.627 45.100 0.002 0.000 1.242 261 G HN 0.222 nan 8.290 nan 0.000 0.493 262 K N -0.263 120.151 120.400 0.022 0.000 2.348 262 K HA 0.041 4.362 4.320 0.002 0.000 0.194 262 K C 1.143 177.768 176.600 0.041 0.000 1.052 262 K CA 0.220 56.526 56.287 0.031 0.000 1.004 262 K CB 0.231 32.749 32.500 0.030 0.000 0.873 262 K HN 0.274 nan 8.250 nan 0.000 0.523 263 N N 1.429 120.153 118.700 0.041 0.000 2.398 263 N HA 0.065 4.806 4.740 0.002 0.000 0.188 263 N C 0.121 175.665 175.510 0.056 0.000 1.122 263 N CA 0.155 53.238 53.050 0.055 0.000 0.866 263 N CB 0.044 38.562 38.487 0.052 0.000 0.970 263 N HN 0.141 nan 8.380 nan 0.000 0.462 264 I N 1.555 122.149 120.570 0.041 0.000 2.452 264 I HA 0.056 4.227 4.170 0.002 0.000 0.287 264 I C 0.210 176.356 176.117 0.049 0.000 1.079 264 I CA -0.254 61.066 61.300 0.033 0.000 1.387 264 I CB 0.542 38.548 38.000 0.010 0.000 1.404 264 I HN -0.019 nan 8.210 nan 0.000 0.522 265 K N 7.700 128.138 120.400 0.063 0.000 2.285 265 K HA 0.420 4.742 4.320 0.002 0.000 0.286 265 K C -0.357 176.290 176.600 0.078 0.000 1.072 265 K CA -0.467 55.865 56.287 0.076 0.000 0.913 265 K CB 1.242 33.800 32.500 0.096 0.000 1.067 265 K HN 0.473 nan 8.250 nan 0.000 0.479 266 I N 4.399 125.006 120.570 0.061 0.000 2.352 266 I HA 0.085 4.257 4.170 0.002 0.000 0.290 266 I C -0.089 176.061 176.117 0.055 0.000 1.036 266 I CA -0.565 60.771 61.300 0.060 0.000 1.336 266 I CB 0.521 38.540 38.000 0.032 0.000 1.407 266 I HN 0.242 nan 8.210 nan 0.000 0.497 267 I N 5.943 126.572 120.570 0.099 0.000 2.354 267 I HA 0.206 4.378 4.170 0.002 0.000 0.286 267 I C 0.309 176.436 176.117 0.016 0.000 1.007 267 I CA -0.242 61.080 61.300 0.037 0.000 1.167 267 I CB 1.113 39.119 38.000 0.010 0.000 1.320 267 I HN 0.396 nan 8.210 nan 0.000 0.458 268 S N 6.182 121.870 115.700 -0.020 0.000 2.505 268 S HA 0.278 4.749 4.470 0.002 0.000 0.276 268 S C 0.258 174.851 174.600 -0.011 0.000 1.274 268 S CA -0.486 57.704 58.200 -0.016 0.000 1.053 268 S CB 0.246 63.418 63.200 -0.048 0.000 0.919 268 S HN 0.302 nan 8.310 nan 0.000 0.490 269 K N 3.761 124.169 120.400 0.013 0.000 2.266 269 K HA 0.254 4.575 4.320 0.002 0.000 0.274 269 K C -0.412 176.213 176.600 0.042 0.000 1.090 269 K CA -0.516 55.782 56.287 0.017 0.000 0.925 269 K CB 0.468 32.993 32.500 0.042 0.000 1.225 269 K HN 0.487 nan 8.250 nan 0.000 0.458 270 I N 3.476 124.070 120.570 0.041 0.000 2.574 270 I HA -0.026 4.145 4.170 0.002 0.000 0.291 270 I C 0.910 177.049 176.117 0.036 0.000 1.131 270 I CA 0.755 62.080 61.300 0.043 0.000 1.352 270 I CB -0.414 37.615 38.000 0.050 0.000 1.431 270 I HN 0.668 nan 8.210 nan 0.000 0.543 271 E N 4.169 124.416 120.200 0.079 0.000 2.473 271 E HA 0.040 4.391 4.350 0.002 0.000 0.204 271 E C 0.156 176.840 176.600 0.139 0.000 0.994 271 E CA 0.117 56.605 56.400 0.147 0.000 0.945 271 E CB 0.536 30.440 29.700 0.340 0.000 0.990 271 E HN 0.801 nan 8.360 nan 0.000 0.493 272 N N -1.488 117.252 118.700 0.066 0.000 3.020 272 N HA 0.014 4.755 4.740 0.002 0.000 0.248 272 N C 0.266 175.775 175.510 -0.001 0.000 1.480 272 N CA -0.494 52.583 53.050 0.045 0.000 0.874 272 N CB 0.383 38.961 38.487 0.152 0.000 1.433 272 N HN -0.222 nan 8.380 nan 0.000 0.530 273 H N 0.085 119.153 119.070 -0.004 0.000 2.330 273 H HA -0.171 4.385 4.556 0.001 0.000 0.290 273 H C 1.163 176.467 175.328 -0.039 0.000 1.111 273 H CA 2.788 58.821 56.048 -0.025 0.000 1.226 273 H CB 0.301 30.047 29.762 -0.026 0.000 1.355 273 H HN 0.589 nan 8.280 nan 0.000 0.485 274 E N -0.473 119.761 120.200 0.056 0.000 2.005 274 E HA -0.174 4.177 4.350 0.002 0.000 0.198 274 E C 2.720 179.309 176.600 -0.017 0.000 1.010 274 E CA 1.038 57.428 56.400 -0.016 0.000 0.825 274 E CB -0.558 29.083 29.700 -0.098 0.000 0.769 274 E HN 0.615 nan 8.360 nan 0.000 0.456 275 G N 0.935 109.707 108.800 -0.046 0.000 2.469 275 G HA2 -0.262 3.699 3.960 0.002 0.000 0.220 275 G HA3 -0.262 3.699 3.960 0.002 0.000 0.220 275 G C 1.738 176.688 174.900 0.084 0.000 1.136 275 G CA 1.140 46.235 45.100 -0.008 0.000 0.759 275 G HN 0.143 nan 8.290 nan 0.000 0.562 276 V N 0.125 120.067 119.914 0.046 0.000 2.283 276 V HA -0.091 4.031 4.120 0.002 0.000 0.243 276 V C 2.808 178.943 176.094 0.069 0.000 1.039 276 V CA 2.000 64.321 62.300 0.035 0.000 1.016 276 V CB -0.494 31.306 31.823 -0.039 0.000 0.650 276 V HN 0.299 nan 8.190 nan 0.000 0.449 277 R N 0.010 120.539 120.500 0.050 0.000 2.083 277 R HA -0.113 4.228 4.340 0.002 0.000 0.237 277 R C 1.907 178.236 176.300 0.049 0.000 1.137 277 R CA 1.558 57.684 56.100 0.043 0.000 0.951 277 R CB -0.123 30.196 30.300 0.032 0.000 0.851 277 R HN 0.421 nan 8.270 nan 0.000 0.434 278 R N -0.323 120.200 120.500 0.039 0.000 2.555 278 R HA 0.034 4.375 4.340 0.002 0.000 0.272 278 R C 0.916 177.232 176.300 0.028 0.000 1.089 278 R CA -0.312 55.797 56.100 0.015 0.000 1.126 278 R CB -0.071 30.212 30.300 -0.028 0.000 1.250 278 R HN 0.165 nan 8.270 nan 0.000 0.551 279 F N 2.028 121.944 119.950 -0.056 0.000 2.091 279 F HA -0.314 4.215 4.527 0.003 0.000 0.299 279 F C 1.502 177.268 175.800 -0.056 0.000 1.103 279 F CA 1.831 59.795 58.000 -0.060 0.000 1.228 279 F CB 0.035 39.000 39.000 -0.057 0.000 0.984 279 F HN 0.088 nan 8.300 nan 0.000 0.477 280 D N 0.436 120.793 120.400 -0.071 0.000 2.205 280 D HA -0.289 4.352 4.640 0.002 0.000 0.190 280 D C 2.184 178.350 176.300 -0.224 0.000 1.002 280 D CA 2.218 56.136 54.000 -0.138 0.000 0.848 280 D CB -0.835 39.950 40.800 -0.026 0.000 0.975 280 D HN 0.662 nan 8.370 nan 0.000 0.449 281 E N 0.349 120.455 120.200 -0.157 0.000 2.209 281 E HA -0.156 4.195 4.350 0.002 0.000 0.196 281 E C 2.312 178.781 176.600 -0.218 0.000 0.993 281 E CA 0.810 57.119 56.400 -0.152 0.000 0.819 281 E CB -0.429 29.212 29.700 -0.098 0.000 0.745 281 E HN 0.350 nan 8.360 nan 0.000 0.477 282 I N 0.955 121.349 120.570 -0.294 0.000 2.233 282 I HA -0.220 3.951 4.170 0.002 0.000 0.243 282 I C 2.628 178.510 176.117 -0.391 0.000 1.093 282 I CA 0.743 61.848 61.300 -0.325 0.000 1.380 282 I CB -0.237 37.580 38.000 -0.306 0.000 1.067 282 I HN 0.181 nan 8.210 nan 0.000 0.413 283 L N 0.786 121.647 121.223 -0.604 0.000 1.990 283 L HA -0.312 4.030 4.340 0.002 0.000 0.213 283 L C 2.616 179.334 176.870 -0.254 0.000 1.072 283 L CA 1.968 56.509 54.840 -0.497 0.000 0.755 283 L CB -0.445 41.276 42.059 -0.565 0.000 0.889 283 L HN 0.346 nan 8.230 nan 0.000 0.432 284 E N -0.598 119.472 120.200 -0.216 0.000 2.187 284 E HA -0.267 4.085 4.350 0.002 0.000 0.199 284 E C 1.618 178.161 176.600 -0.096 0.000 1.004 284 E CA 1.363 57.690 56.400 -0.122 0.000 0.813 284 E CB 0.023 29.658 29.700 -0.107 0.000 0.736 284 E HN 0.587 nan 8.360 nan 0.000 0.468 285 A N -0.172 122.561 122.820 -0.145 0.000 2.348 285 A HA 0.203 4.524 4.320 0.002 0.000 0.224 285 A C 0.601 178.106 177.584 -0.132 0.000 1.227 285 A CA -0.192 51.758 52.037 -0.144 0.000 0.885 285 A CB 0.552 19.375 19.000 -0.295 0.000 0.933 285 A HN 0.104 nan 8.150 nan 0.000 0.506 286 S N -0.298 115.325 115.700 -0.128 0.000 2.718 286 S HA 0.379 4.850 4.470 0.002 0.000 0.300 286 S C -0.188 174.382 174.600 -0.051 0.000 1.117 286 S CA -0.565 57.579 58.200 -0.093 0.000 1.002 286 S CB 1.170 64.303 63.200 -0.111 0.000 1.092 286 S HN 0.268 nan 8.310 nan 0.000 0.542 287 D N 0.276 120.660 120.400 -0.026 0.000 2.346 287 D HA 0.311 4.952 4.640 0.002 0.000 0.206 287 D C 0.752 177.031 176.300 -0.035 0.000 1.001 287 D CA 0.594 54.591 54.000 -0.004 0.000 0.871 287 D CB 0.505 41.322 40.800 0.028 0.000 0.943 287 D HN 0.663 nan 8.370 nan 0.000 0.518 288 G N -0.276 108.491 108.800 -0.055 0.000 2.441 288 G HA2 0.458 4.419 3.960 0.002 0.000 0.294 288 G HA3 0.458 4.419 3.960 0.002 0.000 0.294 288 G C -1.841 173.017 174.900 -0.071 0.000 1.393 288 G CA -0.585 44.464 45.100 -0.086 0.000 0.796 288 G HN -0.069 nan 8.290 nan 0.000 0.494 289 I N 0.589 121.118 120.570 -0.069 0.000 2.722 289 I HA 0.499 4.670 4.170 0.002 0.000 0.295 289 I C -0.642 175.422 176.117 -0.087 0.000 1.161 289 I CA -0.632 60.653 61.300 -0.026 0.000 1.032 289 I CB 2.173 40.247 38.000 0.122 0.000 1.244 289 I HN 0.706 nan 8.210 nan 0.000 0.421 290 M N 6.669 126.205 119.600 -0.108 0.000 2.181 290 M HA 0.442 4.923 4.480 0.002 0.000 0.323 290 M C -1.338 174.906 176.300 -0.094 0.000 1.004 290 M CA -0.643 54.557 55.300 -0.166 0.000 0.941 290 M CB 1.490 33.914 32.600 -0.294 0.000 1.579 290 M HN 0.276 nan 8.290 nan 0.000 0.427 291 V N 5.163 125.022 119.914 -0.091 0.000 2.326 291 V HA 0.270 4.391 4.120 0.002 0.000 0.249 291 V C 0.784 176.844 176.094 -0.058 0.000 1.114 291 V CA -0.419 61.837 62.300 -0.075 0.000 1.028 291 V CB -0.483 31.287 31.823 -0.088 0.000 1.170 291 V HN 0.881 nan 8.190 nan 0.000 0.494 292 A N 5.230 128.028 122.820 -0.038 0.000 2.906 292 A HA 0.298 4.619 4.320 0.002 0.000 0.289 292 A C 1.527 179.104 177.584 -0.011 0.000 1.675 292 A CA -0.391 51.636 52.037 -0.017 0.000 1.372 292 A CB -0.393 18.612 19.000 0.008 0.000 1.091 292 A HN 0.876 nan 8.150 nan 0.000 0.579 293 R N 1.551 122.041 120.500 -0.017 0.000 2.159 293 R HA -0.141 4.200 4.340 0.002 0.000 0.237 293 R C 2.201 178.499 176.300 -0.003 0.000 1.131 293 R CA 1.471 57.563 56.100 -0.014 0.000 0.982 293 R CB -0.356 29.937 30.300 -0.011 0.000 0.868 293 R HN 0.661 nan 8.270 nan 0.000 0.453 294 G N 1.825 110.628 108.800 0.005 0.000 2.639 294 G HA2 -0.301 3.660 3.960 0.002 0.000 0.216 294 G HA3 -0.301 3.660 3.960 0.002 0.000 0.216 294 G C 0.795 175.702 174.900 0.010 0.000 1.267 294 G CA 1.340 46.446 45.100 0.010 0.000 0.801 294 G HN 0.245 nan 8.290 nan 0.000 0.592 295 D N 0.121 120.529 120.400 0.015 0.000 2.269 295 D HA -0.033 4.608 4.640 0.002 0.000 0.208 295 D C 2.323 178.640 176.300 0.028 0.000 0.963 295 D CA 0.124 54.136 54.000 0.021 0.000 0.864 295 D CB -0.190 40.621 40.800 0.019 0.000 0.936 295 D HN 0.176 nan 8.370 nan 0.000 0.505 296 L N 1.176 122.406 121.223 0.011 0.000 2.046 296 L HA 0.031 4.372 4.340 0.002 0.000 0.208 296 L C 2.165 179.017 176.870 -0.029 0.000 1.077 296 L CA 1.682 56.513 54.840 -0.016 0.000 0.747 296 L CB -1.040 40.997 42.059 -0.038 0.000 0.896 296 L HN 0.070 nan 8.230 nan 0.000 0.432 297 G N -1.144 107.648 108.800 -0.012 0.000 2.744 297 G HA2 -0.061 3.900 3.960 0.002 0.000 0.211 297 G HA3 -0.061 3.900 3.960 0.002 0.000 0.211 297 G C 1.365 176.275 174.900 0.016 0.000 1.143 297 G CA 0.357 45.454 45.100 -0.005 0.000 0.788 297 G HN 0.329 nan 8.290 nan 0.000 0.534 298 I N 0.238 120.828 120.570 0.033 0.000 2.556 298 I HA 0.070 4.242 4.170 0.002 0.000 0.251 298 I C 2.326 178.548 176.117 0.174 0.000 1.105 298 I CA 0.797 62.138 61.300 0.068 0.000 1.436 298 I CB -0.659 37.375 38.000 0.057 0.000 1.139 298 I HN 0.215 nan 8.210 nan 0.000 0.438 299 E N 1.049 121.327 120.200 0.130 0.000 2.112 299 E HA -0.037 4.314 4.350 0.002 0.000 0.190 299 E C 0.915 177.563 176.600 0.079 0.000 0.979 299 E CA 0.482 56.971 56.400 0.149 0.000 0.814 299 E CB 0.227 29.986 29.700 0.099 0.000 0.762 299 E HN 0.533 nan 8.360 nan 0.000 0.460 300 I N -2.800 117.730 120.570 -0.065 0.000 2.863 300 I HA 0.536 4.707 4.170 0.002 0.000 0.311 300 I C -2.576 173.535 176.117 -0.010 0.000 1.026 300 I CA -3.182 58.023 61.300 -0.158 0.000 1.077 300 I CB 1.870 39.626 38.000 -0.406 0.000 1.262 300 I HN -0.300 nan 8.210 nan 0.000 0.461 301 P HA 0.134 nan 4.420 nan 0.000 0.271 301 P C 0.299 177.612 177.300 0.020 0.000 1.220 301 P CA -0.006 63.119 63.100 0.041 0.000 0.768 301 P CB 1.303 33.039 31.700 0.059 0.000 0.848 302 A N 4.543 127.381 122.820 0.030 0.000 1.892 302 A HA -0.280 4.041 4.320 0.002 0.000 0.218 302 A C 1.751 179.378 177.584 0.071 0.000 1.188 302 A CA 2.045 54.103 52.037 0.035 0.000 0.631 302 A CB -1.270 17.746 19.000 0.028 0.000 0.822 302 A HN 0.666 nan 8.150 nan 0.000 0.447 303 E N 0.232 120.483 120.200 0.084 0.000 2.219 303 E HA -0.223 4.128 4.350 0.002 0.000 0.198 303 E C 1.483 178.205 176.600 0.202 0.000 0.998 303 E CA 1.539 58.030 56.400 0.151 0.000 0.818 303 E CB -0.242 29.525 29.700 0.110 0.000 0.741 303 E HN 0.681 nan 8.360 nan 0.000 0.477 304 K N 0.501 120.923 120.400 0.037 0.000 2.374 304 K HA 0.119 4.440 4.320 0.002 0.000 0.196 304 K C 1.723 178.181 176.600 -0.236 0.000 1.023 304 K CA 0.061 56.261 56.287 -0.146 0.000 1.103 304 K CB 0.609 33.035 32.500 -0.123 0.000 0.848 304 K HN -0.038 nan 8.250 nan 0.000 0.528 305 V N 1.966 121.839 119.914 -0.069 0.000 2.255 305 V HA -0.295 3.826 4.120 0.002 0.000 0.247 305 V C 2.132 178.155 176.094 -0.119 0.000 1.051 305 V CA 2.096 64.353 62.300 -0.072 0.000 1.018 305 V CB -0.730 31.093 31.823 -0.000 0.000 0.641 305 V HN 0.391 nan 8.190 nan 0.000 0.445 306 F N 0.045 119.962 119.950 -0.055 0.000 2.307 306 F HA -0.142 4.385 4.527 0.000 0.000 0.301 306 F C 1.872 177.631 175.800 -0.067 0.000 1.076 306 F CA 1.398 59.364 58.000 -0.058 0.000 1.383 306 F CB -1.084 37.888 39.000 -0.047 0.000 1.055 306 F HN 0.087 nan 8.300 nan 0.000 0.526 307 L N 0.746 121.338 121.223 -1.052 0.000 2.044 307 L HA -0.065 4.276 4.340 0.002 0.000 0.205 307 L C 2.998 179.646 176.870 -0.370 0.000 1.075 307 L CA 1.160 55.562 54.840 -0.730 0.000 0.747 307 L CB -1.136 40.520 42.059 -0.671 0.000 0.903 307 L HN 0.316 nan 8.230 nan 0.000 0.435 308 A N -0.556 122.068 122.820 -0.327 0.000 1.972 308 A HA -0.258 4.063 4.320 0.002 0.000 0.219 308 A C 2.264 179.704 177.584 -0.241 0.000 1.169 308 A CA 1.805 53.685 52.037 -0.261 0.000 0.635 308 A CB -0.504 18.363 19.000 -0.222 0.000 0.810 308 A HN 0.553 nan 8.150 nan 0.000 0.446 309 Q N -0.259 119.432 119.800 -0.181 0.000 2.062 309 Q HA -0.163 4.178 4.340 0.002 0.000 0.196 309 Q C 1.728 177.653 176.000 -0.126 0.000 0.967 309 Q CA 1.330 57.055 55.803 -0.131 0.000 0.832 309 Q CB -0.174 28.528 28.738 -0.059 0.000 0.899 309 Q HN 0.518 nan 8.270 nan 0.000 0.442 310 K N 0.666 121.008 120.400 -0.096 0.000 2.032 310 K HA -0.170 4.151 4.320 0.002 0.000 0.209 310 K C 2.207 178.736 176.600 -0.118 0.000 1.048 310 K CA 1.336 57.578 56.287 -0.074 0.000 0.927 310 K CB -0.596 31.887 32.500 -0.029 0.000 0.712 310 K HN 0.380 nan 8.250 nan 0.000 0.441 311 M N 1.493 120.995 119.600 -0.163 0.000 2.082 311 M HA -0.172 4.309 4.480 0.002 0.000 0.258 311 M C 2.176 178.324 176.300 -0.254 0.000 1.071 311 M CA 1.637 56.825 55.300 -0.185 0.000 1.103 311 M CB -0.557 31.915 32.600 -0.214 0.000 1.307 311 M HN 0.083 nan 8.290 nan 0.000 0.409 312 I N 0.134 120.471 120.570 -0.389 0.000 2.208 312 I HA -0.343 3.828 4.170 0.002 0.000 0.245 312 I C 2.396 178.356 176.117 -0.262 0.000 1.097 312 I CA 1.299 62.247 61.300 -0.587 0.000 1.363 312 I CB -0.288 37.308 38.000 -0.674 0.000 1.051 312 I HN 0.318 nan 8.210 nan 0.000 0.413 313 I N 0.063 120.533 120.570 -0.168 0.000 2.353 313 I HA -0.154 4.017 4.170 0.002 0.000 0.248 313 I C 2.551 178.637 176.117 -0.053 0.000 1.119 313 I CA 1.237 62.486 61.300 -0.085 0.000 1.417 313 I CB -0.604 37.353 38.000 -0.071 0.000 1.078 313 I HN 0.230 nan 8.210 nan 0.000 0.421 314 G N 0.568 109.329 108.800 -0.064 0.000 2.480 314 G HA2 -0.273 3.688 3.960 0.002 0.000 0.216 314 G HA3 -0.273 3.688 3.960 0.002 0.000 0.216 314 G C 1.734 176.630 174.900 -0.006 0.000 1.200 314 G CA 0.636 45.714 45.100 -0.036 0.000 0.782 314 G HN 0.225 nan 8.290 nan 0.000 0.554 315 R N -0.780 119.724 120.500 0.007 0.000 2.133 315 R HA -0.121 4.220 4.340 0.002 0.000 0.247 315 R C 2.690 179.059 176.300 0.115 0.000 1.151 315 R CA 1.602 57.752 56.100 0.085 0.000 0.971 315 R CB -0.652 29.745 30.300 0.161 0.000 0.866 315 R HN 0.432 nan 8.270 nan 0.000 0.447 316 C N -0.250 119.114 119.300 0.107 0.000 2.466 316 C HA -0.004 4.457 4.460 0.002 0.000 0.278 316 C C 2.151 177.154 174.990 0.022 0.000 1.288 316 C CA 0.464 59.533 59.018 0.085 0.000 1.722 316 C CB -1.110 26.671 27.740 0.069 0.000 2.017 316 C HN 0.587 nan 8.230 nan 0.000 0.488 317 N N 0.415 119.115 118.700 0.000 0.000 2.043 317 N HA -0.200 4.541 4.740 0.002 0.000 0.193 317 N C 2.075 177.558 175.510 -0.046 0.000 1.037 317 N CA 0.967 54.002 53.050 -0.025 0.000 0.851 317 N CB -0.340 38.132 38.487 -0.025 0.000 1.027 317 N HN 0.460 nan 8.380 nan 0.000 0.422 318 R N 1.043 121.529 120.500 -0.023 0.000 2.153 318 R HA -0.178 4.163 4.340 0.002 0.000 0.252 318 R C 1.493 177.780 176.300 -0.022 0.000 1.158 318 R CA 1.820 57.909 56.100 -0.019 0.000 0.975 318 R CB -0.157 30.151 30.300 0.015 0.000 0.871 318 R HN 0.229 nan 8.270 nan 0.000 0.450 319 A N -0.808 122.009 122.820 -0.005 0.000 2.308 319 A HA 0.265 4.587 4.320 0.002 0.000 0.217 319 A C 0.956 178.530 177.584 -0.018 0.000 1.216 319 A CA 0.622 52.660 52.037 0.003 0.000 0.864 319 A CB 0.304 19.315 19.000 0.018 0.000 0.902 319 A HN 0.513 nan 8.150 nan 0.000 0.499 320 G N 0.155 108.929 108.800 -0.043 0.000 2.333 320 G HA2 -0.243 3.718 3.960 0.002 0.000 0.296 320 G HA3 -0.243 3.718 3.960 0.002 0.000 0.296 320 G C -0.172 174.748 174.900 0.032 0.000 1.059 320 G CA 0.629 45.710 45.100 -0.030 0.000 1.050 320 G HN 0.545 nan 8.290 nan 0.000 0.508 321 K N 0.778 121.185 120.400 0.012 0.000 2.413 321 K HA 0.468 4.790 4.320 0.002 0.000 0.257 321 K C -2.402 174.160 176.600 -0.062 0.000 0.946 321 K CA -2.231 54.052 56.287 -0.007 0.000 0.823 321 K CB 2.672 35.164 32.500 -0.013 0.000 1.109 321 K HN 0.057 nan 8.250 nan 0.000 0.427 322 P HA -0.014 nan 4.420 nan 0.000 0.266 322 P C -0.957 176.242 177.300 -0.169 0.000 1.195 322 P CA -0.353 62.581 63.100 -0.276 0.000 0.768 322 P CB 0.851 32.190 31.700 -0.603 0.000 0.838 323 V N 4.669 124.501 119.914 -0.136 0.000 2.733 323 V HA 0.475 4.596 4.120 0.002 0.000 0.306 323 V C -0.810 175.218 176.094 -0.111 0.000 1.084 323 V CA -0.942 61.297 62.300 -0.102 0.000 0.905 323 V CB 1.525 33.316 31.823 -0.054 0.000 1.010 323 V HN 0.322 nan 8.190 nan 0.000 0.424 324 I N 5.783 126.272 120.570 -0.136 0.000 2.437 324 I HA 0.476 4.647 4.170 0.002 0.000 0.298 324 I C -0.186 175.868 176.117 -0.106 0.000 0.984 324 I CA -0.470 60.749 61.300 -0.134 0.000 1.214 324 I CB 1.684 39.551 38.000 -0.222 0.000 1.365 324 I HN 0.651 nan 8.210 nan 0.000 0.469 325 C N 5.816 125.073 119.300 -0.073 0.000 2.329 325 C HA 0.889 5.350 4.460 0.002 0.000 0.329 325 C C 0.268 175.232 174.990 -0.042 0.000 1.275 325 C CA -0.004 58.982 59.018 -0.054 0.000 1.726 325 C CB 0.036 27.755 27.740 -0.034 0.000 2.291 325 C HN 0.914 nan 8.230 nan 0.000 0.514 326 A N 3.987 126.784 122.820 -0.037 0.000 2.532 326 A HA 0.936 5.257 4.320 0.002 0.000 0.290 326 A C -0.130 177.452 177.584 -0.004 0.000 1.143 326 A CA -0.170 51.856 52.037 -0.018 0.000 0.728 326 A CB 0.946 19.930 19.000 -0.026 0.000 1.317 326 A HN 1.460 nan 8.150 nan 0.000 0.414 327 T N 0.803 115.363 114.554 0.011 0.000 0.567 327 T HA -0.097 4.254 4.350 0.002 0.000 0.771 327 T C 0.081 174.789 174.700 0.014 0.000 0.992 327 T CA 1.105 63.214 62.100 0.016 0.000 4.062 327 T CB -1.122 67.754 68.868 0.012 0.000 2.294 327 T HN 1.522 nan 8.240 nan 0.000 0.396 328 Q N 0.237 120.048 119.800 0.018 0.000 2.480 328 Q HA -0.281 4.060 4.340 0.002 0.000 0.265 328 Q C 1.541 177.548 176.000 0.012 0.000 1.072 328 Q CA 1.464 57.276 55.803 0.015 0.000 1.018 328 Q CB -1.054 27.691 28.738 0.012 0.000 1.433 328 Q HN 0.812 nan 8.270 nan 0.000 0.513 329 M N -0.830 118.779 119.600 0.014 0.000 2.086 329 M HA -0.150 4.331 4.480 0.002 0.000 0.261 329 M C 0.456 176.762 176.300 0.011 0.000 1.067 329 M CA 1.359 56.666 55.300 0.012 0.000 1.116 329 M CB 0.159 32.768 32.600 0.014 0.000 1.348 329 M HN 0.145 nan 8.290 nan 0.000 0.407 330 L N -0.045 121.188 121.223 0.016 0.000 2.913 330 L HA 0.197 4.538 4.340 0.002 0.000 0.283 330 L C 1.039 177.917 176.870 0.013 0.000 1.336 330 L CA 0.159 55.006 54.840 0.012 0.000 0.815 330 L CB -0.068 42.003 42.059 0.019 0.000 1.188 330 L HN 0.135 nan 8.230 nan 0.000 0.551 331 E N -0.027 120.180 120.200 0.011 0.000 2.058 331 E HA -0.234 4.118 4.350 0.002 0.000 0.194 331 E C 1.906 178.511 176.600 0.009 0.000 0.997 331 E CA 1.698 58.107 56.400 0.014 0.000 0.801 331 E CB 0.316 30.023 29.700 0.012 0.000 0.746 331 E HN 0.567 nan 8.360 nan 0.000 0.450 332 S N 0.487 116.184 115.700 -0.004 0.000 2.440 332 S HA -0.198 4.273 4.470 0.002 0.000 0.238 332 S C 1.979 176.562 174.600 -0.028 0.000 1.010 332 S CA 1.141 59.332 58.200 -0.015 0.000 0.972 332 S CB -0.180 63.005 63.200 -0.025 0.000 0.774 332 S HN 0.150 nan 8.310 nan 0.000 0.501 333 M N 0.757 120.344 119.600 -0.023 0.000 2.296 333 M HA 0.147 4.629 4.480 0.002 0.000 0.265 333 M C 1.791 178.106 176.300 0.025 0.000 1.064 333 M CA 1.131 56.407 55.300 -0.039 0.000 1.109 333 M CB -0.327 32.267 32.600 -0.010 0.000 1.396 333 M HN 0.375 nan 8.290 nan 0.000 0.430 334 I N -0.273 120.333 120.570 0.059 0.000 2.236 334 I HA -0.383 3.788 4.170 0.002 0.000 0.249 334 I C 1.966 178.175 176.117 0.154 0.000 1.102 334 I CA 1.662 63.024 61.300 0.103 0.000 1.365 334 I CB -0.339 37.700 38.000 0.065 0.000 1.051 334 I HN 0.329 nan 8.210 nan 0.000 0.420 335 K N -0.587 119.874 120.400 0.101 0.000 2.412 335 K HA 0.161 4.482 4.320 0.002 0.000 0.202 335 K C 0.372 177.005 176.600 0.055 0.000 1.102 335 K CA -0.045 56.321 56.287 0.132 0.000 1.027 335 K CB 0.844 33.392 32.500 0.079 0.000 0.931 335 K HN 0.007 nan 8.250 nan 0.000 0.557 336 K N 0.657 120.986 120.400 -0.119 0.000 2.259 336 K HA 0.237 4.558 4.320 0.002 0.000 0.249 336 K C -2.298 173.900 176.600 -0.670 0.000 0.942 336 K CA -2.380 53.719 56.287 -0.313 0.000 0.816 336 K CB 1.832 34.233 32.500 -0.166 0.000 1.155 336 K HN -0.280 nan 8.250 nan 0.000 0.428 337 P HA 0.031 nan 4.420 nan 0.000 0.245 337 P C -0.706 176.388 177.300 -0.343 0.000 1.212 337 P CA 0.487 63.036 63.100 -0.918 0.000 0.774 337 P CB 0.484 31.816 31.700 -0.615 0.000 0.999 338 R N -0.240 120.112 120.500 -0.248 0.000 2.888 338 R HA 0.625 4.966 4.340 0.002 0.000 0.264 338 R C -2.802 173.439 176.300 -0.098 0.000 1.045 338 R CA -2.051 53.974 56.100 -0.126 0.000 0.962 338 R CB 1.626 31.872 30.300 -0.090 0.000 1.210 338 R HN -0.094 nan 8.270 nan 0.000 0.479 339 P HA 0.212 nan 4.420 nan 0.000 0.294 339 P C -0.960 176.319 177.300 -0.035 0.000 1.325 339 P CA -0.685 62.389 63.100 -0.042 0.000 0.978 339 P CB 1.570 33.255 31.700 -0.025 0.000 1.288 340 T N -0.988 113.549 114.554 -0.029 0.000 2.828 340 T HA 0.221 4.572 4.350 0.002 0.000 0.290 340 T C 1.529 176.215 174.700 -0.024 0.000 1.019 340 T CA -0.629 61.455 62.100 -0.026 0.000 1.031 340 T CB 0.550 69.404 68.868 -0.024 0.000 1.001 340 T HN 0.210 nan 8.240 nan 0.000 0.531 341 R N 1.174 121.660 120.500 -0.024 0.000 2.105 341 R HA -0.068 4.273 4.340 0.002 0.000 0.239 341 R C 2.588 178.873 176.300 -0.025 0.000 1.135 341 R CA 1.506 57.592 56.100 -0.024 0.000 0.967 341 R CB -1.544 28.741 30.300 -0.025 0.000 0.861 341 R HN 0.851 nan 8.270 nan 0.000 0.442 342 A N 1.263 124.067 122.820 -0.026 0.000 2.066 342 A HA -0.113 4.208 4.320 0.002 0.000 0.218 342 A C 1.970 179.541 177.584 -0.022 0.000 1.157 342 A CA 0.907 52.927 52.037 -0.028 0.000 0.670 342 A CB -0.189 18.793 19.000 -0.030 0.000 0.804 342 A HN 0.349 nan 8.150 nan 0.000 0.453 343 E N -0.450 119.739 120.200 -0.019 0.000 2.047 343 E HA -0.117 4.234 4.350 0.002 0.000 0.191 343 E C 2.174 178.767 176.600 -0.012 0.000 0.987 343 E CA 0.841 57.233 56.400 -0.013 0.000 0.799 343 E CB -0.349 29.343 29.700 -0.013 0.000 0.752 343 E HN 0.596 nan 8.360 nan 0.000 0.449 344 G N 0.474 109.265 108.800 -0.015 0.000 2.422 344 G HA2 -0.291 3.670 3.960 0.002 0.000 0.218 344 G HA3 -0.291 3.670 3.960 0.002 0.000 0.218 344 G C 1.688 176.578 174.900 -0.017 0.000 1.146 344 G CA 0.874 45.966 45.100 -0.014 0.000 0.769 344 G HN 0.186 nan 8.290 nan 0.000 0.547 345 S N 0.071 115.757 115.700 -0.024 0.000 2.370 345 S HA -0.153 4.318 4.470 0.002 0.000 0.226 345 S C 2.095 176.679 174.600 -0.025 0.000 1.033 345 S CA 1.756 59.938 58.200 -0.030 0.000 1.011 345 S CB -0.370 62.807 63.200 -0.038 0.000 0.852 345 S HN 0.455 nan 8.310 nan 0.000 0.457 346 D N 0.452 120.839 120.400 -0.021 0.000 2.092 346 D HA -0.105 4.537 4.640 0.002 0.000 0.193 346 D C 1.901 178.195 176.300 -0.010 0.000 0.994 346 D CA 1.519 55.510 54.000 -0.015 0.000 0.828 346 D CB -0.352 40.442 40.800 -0.010 0.000 0.963 346 D HN 0.263 nan 8.370 nan 0.000 0.450 347 V N 0.911 120.821 119.914 -0.006 0.000 2.261 347 V HA -0.224 3.897 4.120 0.002 0.000 0.246 347 V C 2.623 178.714 176.094 -0.005 0.000 1.047 347 V CA 1.951 64.250 62.300 -0.001 0.000 1.015 347 V CB -1.153 30.674 31.823 0.006 0.000 0.642 347 V HN 0.313 nan 8.190 nan 0.000 0.446 348 A N 0.359 123.173 122.820 -0.010 0.000 1.883 348 A HA -0.316 4.005 4.320 0.002 0.000 0.217 348 A C 2.053 179.628 177.584 -0.016 0.000 1.186 348 A CA 2.612 54.641 52.037 -0.014 0.000 0.624 348 A CB -0.959 18.029 19.000 -0.021 0.000 0.822 348 A HN 0.661 nan 8.150 nan 0.000 0.444 349 N N -0.289 118.399 118.700 -0.020 0.000 2.188 349 N HA 0.003 4.744 4.740 0.002 0.000 0.184 349 N C 1.822 177.323 175.510 -0.014 0.000 1.018 349 N CA 1.199 54.236 53.050 -0.021 0.000 0.858 349 N CB -0.250 38.221 38.487 -0.027 0.000 0.989 349 N HN 0.483 nan 8.380 nan 0.000 0.426 350 A N 0.130 122.944 122.820 -0.010 0.000 1.969 350 A HA -0.057 4.264 4.320 0.002 0.000 0.218 350 A C 2.268 179.846 177.584 -0.009 0.000 1.169 350 A CA 0.968 52.999 52.037 -0.010 0.000 0.635 350 A CB -0.575 18.420 19.000 -0.009 0.000 0.810 350 A HN 0.120 nan 8.150 nan 0.000 0.445 351 V N -0.042 119.869 119.914 -0.005 0.000 2.307 351 V HA -0.172 3.949 4.120 0.002 0.000 0.245 351 V C 2.444 178.537 176.094 -0.002 0.000 1.045 351 V CA 1.456 63.757 62.300 0.001 0.000 1.024 351 V CB -0.523 31.304 31.823 0.005 0.000 0.651 351 V HN 0.480 nan 8.190 nan 0.000 0.449 352 L N -0.106 121.112 121.223 -0.009 0.000 2.131 352 L HA -0.149 4.192 4.340 0.002 0.000 0.210 352 L C 2.220 179.080 176.870 -0.017 0.000 1.092 352 L CA 1.810 56.642 54.840 -0.013 0.000 0.759 352 L CB -1.522 40.526 42.059 -0.019 0.000 0.903 352 L HN 0.393 nan 8.230 nan 0.000 0.435 353 D N -0.117 120.273 120.400 -0.017 0.000 2.178 353 D HA -0.073 4.569 4.640 0.002 0.000 0.201 353 D C 1.745 178.032 176.300 -0.021 0.000 0.980 353 D CA 1.444 55.431 54.000 -0.021 0.000 0.842 353 D CB 0.161 40.949 40.800 -0.019 0.000 0.948 353 D HN 0.455 nan 8.370 nan 0.000 0.472 354 G N -0.525 108.267 108.800 -0.013 0.000 2.183 354 G HA2 -0.090 3.871 3.960 0.002 0.000 0.168 354 G HA3 -0.090 3.871 3.960 0.002 0.000 0.168 354 G C 0.387 175.281 174.900 -0.009 0.000 1.008 354 G CA 0.130 45.226 45.100 -0.007 0.000 0.677 354 G HN 0.561 nan 8.290 nan 0.000 0.498 355 A N 0.592 123.403 122.820 -0.015 0.000 2.520 355 A HA 0.474 4.796 4.320 0.002 0.000 0.245 355 A C 1.329 178.904 177.584 -0.016 0.000 1.072 355 A CA 0.939 52.962 52.037 -0.025 0.000 0.761 355 A CB 0.243 19.227 19.000 -0.028 0.000 1.004 355 A HN 0.255 nan 8.150 nan 0.000 0.499 356 D N 0.555 120.933 120.400 -0.036 0.000 2.117 356 D HA -0.067 4.574 4.640 0.002 0.000 0.197 356 D C 0.335 176.628 176.300 -0.012 0.000 0.987 356 D CA 1.674 55.655 54.000 -0.031 0.000 0.829 356 D CB -0.114 40.627 40.800 -0.098 0.000 0.961 356 D HN 0.665 nan 8.370 nan 0.000 0.460 357 C N 0.558 119.842 119.300 -0.028 0.000 2.985 357 C HA 0.591 5.052 4.460 0.002 0.000 0.314 357 C C 0.282 175.265 174.990 -0.012 0.000 1.215 357 C CA -1.496 57.519 59.018 -0.004 0.000 1.414 357 C CB 1.348 29.088 27.740 0.001 0.000 1.842 357 C HN 0.151 nan 8.230 nan 0.000 0.477 358 I N -0.042 120.535 120.570 0.011 0.000 3.210 358 I HA 0.834 5.005 4.170 0.002 0.000 0.316 358 I C -0.395 175.733 176.117 0.019 0.000 1.067 358 I CA -0.763 60.542 61.300 0.010 0.000 1.047 358 I CB 1.331 39.343 38.000 0.020 0.000 1.352 358 I HN 0.795 nan 8.210 nan 0.000 0.565 359 M N 2.123 121.735 119.600 0.021 0.000 2.520 359 M HA 0.599 5.080 4.480 0.002 0.000 0.283 359 M C -2.248 174.077 176.300 0.042 0.000 1.237 359 M CA -0.517 54.804 55.300 0.036 0.000 0.885 359 M CB 2.740 35.358 32.600 0.030 0.000 1.727 359 M HN 0.563 nan 8.290 nan 0.000 0.468 360 L N 2.001 123.256 121.223 0.054 0.000 2.381 360 L HA 0.555 4.896 4.340 0.002 0.000 0.274 360 L C -0.175 176.732 176.870 0.062 0.000 0.988 360 L CA -0.086 54.786 54.840 0.054 0.000 0.824 360 L CB 2.084 44.176 42.059 0.054 0.000 1.263 360 L HN 0.763 nan 8.230 nan 0.000 0.410 361 S N 1.316 117.051 115.700 0.058 0.000 2.965 361 S HA 0.191 4.662 4.470 0.002 0.000 0.165 361 S C 1.655 176.291 174.600 0.060 0.000 0.735 361 S CA 0.501 58.739 58.200 0.064 0.000 0.985 361 S CB -0.162 63.073 63.200 0.059 0.000 0.675 361 S HN 0.877 nan 8.310 nan 0.000 0.592 362 G N 0.952 109.784 108.800 0.054 0.000 2.450 362 G HA2 -0.188 3.773 3.960 0.002 0.000 0.220 362 G HA3 -0.188 3.773 3.960 0.002 0.000 0.220 362 G C 1.030 175.962 174.900 0.054 0.000 1.130 362 G CA 1.145 46.275 45.100 0.050 0.000 0.760 362 G HN 0.550 nan 8.290 nan 0.000 0.557 363 E N 0.028 120.261 120.200 0.055 0.000 2.147 363 E HA -0.167 4.184 4.350 0.002 0.000 0.199 363 E C 2.734 179.376 176.600 0.071 0.000 1.005 363 E CA 2.038 58.475 56.400 0.063 0.000 0.810 363 E CB -0.203 29.531 29.700 0.056 0.000 0.736 363 E HN 0.644 nan 8.360 nan 0.000 0.460 364 T N -3.623 110.968 114.554 0.062 0.000 2.978 364 T HA 0.416 4.768 4.350 0.002 0.000 0.248 364 T C 1.870 176.603 174.700 0.054 0.000 1.018 364 T CA 0.205 62.340 62.100 0.059 0.000 1.026 364 T CB 0.222 69.124 68.868 0.056 0.000 1.032 364 T HN 0.137 nan 8.240 nan 0.000 0.485 365 A N 2.638 125.492 122.820 0.057 0.000 1.855 365 A HA 0.200 4.521 4.320 0.002 0.000 0.213 365 A C 2.154 179.764 177.584 0.044 0.000 1.195 365 A CA 0.979 53.050 52.037 0.057 0.000 0.610 365 A CB -0.213 18.824 19.000 0.063 0.000 0.837 365 A HN 0.523 nan 8.150 nan 0.000 0.444 366 K N -0.548 119.875 120.400 0.038 0.000 2.380 366 K HA 0.240 4.561 4.320 0.002 0.000 0.198 366 K C 1.085 177.704 176.600 0.031 0.000 1.070 366 K CA 0.244 56.547 56.287 0.026 0.000 1.040 366 K CB 0.363 32.873 32.500 0.018 0.000 0.903 366 K HN 0.362 nan 8.250 nan 0.000 0.549 367 G N 1.219 110.048 108.800 0.047 0.000 2.750 367 G HA2 -0.105 3.856 3.960 0.002 0.000 0.250 367 G HA3 -0.105 3.856 3.960 0.002 0.000 0.250 367 G C -0.112 174.815 174.900 0.046 0.000 1.230 367 G CA -0.124 45.019 45.100 0.071 0.000 0.883 367 G HN 0.041 nan 8.290 nan 0.000 0.573 368 D N -1.260 119.193 120.400 0.087 0.000 2.379 368 D HA 0.084 4.725 4.640 0.002 0.000 0.208 368 D C -0.204 175.894 176.300 -0.337 0.000 1.065 368 D CA 0.591 54.541 54.000 -0.083 0.000 0.848 368 D CB 0.442 41.242 40.800 -0.001 0.000 0.949 368 D HN 0.357 nan 8.370 nan 0.000 0.509 369 Y N -0.290 120.019 120.300 0.015 0.000 2.555 369 Y HA 0.223 4.774 4.550 0.002 0.000 0.317 369 Y C -1.759 174.153 175.900 0.019 0.000 0.928 369 Y CA -1.818 56.292 58.100 0.016 0.000 1.116 369 Y CB 1.143 39.613 38.460 0.015 0.000 1.169 369 Y HN -0.099 nan 8.280 nan 0.000 0.627 370 P HA -0.228 nan 4.420 nan 0.000 0.215 370 P C 1.472 178.819 177.300 0.078 0.000 1.163 370 P CA 1.748 64.893 63.100 0.075 0.000 0.894 370 P CB 0.528 32.251 31.700 0.039 0.000 0.791 371 L N -1.020 120.243 121.223 0.067 0.000 2.056 371 L HA -0.127 4.214 4.340 0.002 0.000 0.207 371 L C 2.535 179.454 176.870 0.081 0.000 1.078 371 L CA 1.500 56.377 54.840 0.060 0.000 0.749 371 L CB -1.229 40.856 42.059 0.043 0.000 0.901 371 L HN -0.101 nan 8.230 nan 0.000 0.433 372 E N 0.621 120.897 120.200 0.127 0.000 2.171 372 E HA -0.229 4.122 4.350 0.002 0.000 0.197 372 E C 2.221 178.877 176.600 0.093 0.000 0.997 372 E CA 1.436 57.916 56.400 0.133 0.000 0.810 372 E CB -0.315 29.519 29.700 0.224 0.000 0.738 372 E HN 0.488 nan 8.360 nan 0.000 0.467 373 A N 0.260 123.138 122.820 0.096 0.000 1.855 373 A HA -0.134 4.187 4.320 0.002 0.000 0.215 373 A C 2.469 180.093 177.584 0.067 0.000 1.191 373 A CA 1.309 53.389 52.037 0.072 0.000 0.613 373 A CB -0.801 18.244 19.000 0.075 0.000 0.829 373 A HN 0.135 nan 8.150 nan 0.000 0.442 374 V N 0.067 120.019 119.914 0.063 0.000 2.231 374 V HA -0.371 3.750 4.120 0.002 0.000 0.250 374 V C 2.667 178.807 176.094 0.077 0.000 1.058 374 V CA 2.640 64.975 62.300 0.057 0.000 1.022 374 V CB -0.866 30.975 31.823 0.031 0.000 0.640 374 V HN 0.565 nan 8.190 nan 0.000 0.445 375 R N -1.019 119.518 120.500 0.063 0.000 2.096 375 R HA -0.238 4.103 4.340 0.002 0.000 0.240 375 R C 2.277 178.664 176.300 0.145 0.000 1.139 375 R CA 2.383 58.537 56.100 0.090 0.000 0.952 375 R CB -0.441 29.900 30.300 0.068 0.000 0.854 375 R HN 0.509 nan 8.270 nan 0.000 0.436 376 M N 0.327 119.985 119.600 0.097 0.000 2.296 376 M HA -0.144 4.337 4.480 0.002 0.000 0.265 376 M C 1.658 178.008 176.300 0.083 0.000 1.064 376 M CA 1.641 56.989 55.300 0.080 0.000 1.109 376 M CB 0.244 32.873 32.600 0.047 0.000 1.396 376 M HN 0.074 nan 8.290 nan 0.000 0.430 377 Q N -1.674 118.183 119.800 0.096 0.000 2.435 377 Q HA -0.173 4.168 4.340 0.002 0.000 0.207 377 Q C 1.508 177.581 176.000 0.121 0.000 0.956 377 Q CA 1.099 56.955 55.803 0.087 0.000 0.917 377 Q CB -0.048 28.739 28.738 0.081 0.000 0.997 377 Q HN 0.704 nan 8.270 nan 0.000 0.497 378 H N -0.463 118.628 119.070 0.036 0.000 2.431 378 H HA -0.002 4.556 4.556 0.002 0.000 0.295 378 H C 1.585 176.936 175.328 0.040 0.000 1.038 378 H CA 0.676 56.750 56.048 0.043 0.000 1.360 378 H CB 0.267 30.057 29.762 0.047 0.000 1.433 378 H HN 0.057 nan 8.280 nan 0.000 0.536 379 L N 0.427 121.670 121.223 0.032 0.000 2.056 379 L HA -0.083 4.258 4.340 0.002 0.000 0.207 379 L C 2.189 179.028 176.870 -0.053 0.000 1.078 379 L CA 1.363 56.184 54.840 -0.033 0.000 0.749 379 L CB -0.559 41.523 42.059 0.039 0.000 0.901 379 L HN 0.432 nan 8.230 nan 0.000 0.433 380 I N -1.281 119.276 120.570 -0.021 0.000 2.286 380 I HA -0.187 3.984 4.170 0.002 0.000 0.245 380 I C 2.546 178.645 176.117 -0.030 0.000 1.104 380 I CA 0.963 62.252 61.300 -0.019 0.000 1.397 380 I CB -0.787 37.212 38.000 -0.003 0.000 1.072 380 I HN 0.150 nan 8.210 nan 0.000 0.417 381 A N 1.409 124.209 122.820 -0.034 0.000 2.032 381 A HA -0.201 4.120 4.320 0.002 0.000 0.221 381 A C 2.439 179.989 177.584 -0.057 0.000 1.165 381 A CA 1.569 53.587 52.037 -0.032 0.000 0.645 381 A CB -0.554 18.440 19.000 -0.009 0.000 0.807 381 A HN 0.387 nan 8.150 nan 0.000 0.453 382 R N -0.873 119.560 120.500 -0.112 0.000 2.066 382 R HA -0.023 4.318 4.340 0.002 0.000 0.224 382 R C 1.903 178.182 176.300 -0.034 0.000 1.122 382 R CA 0.939 56.983 56.100 -0.093 0.000 0.974 382 R CB -0.415 29.800 30.300 -0.141 0.000 0.871 382 R HN 0.464 nan 8.270 nan 0.000 0.435 383 E N 1.201 121.380 120.200 -0.034 0.000 2.097 383 E HA -0.193 4.158 4.350 0.002 0.000 0.196 383 E C 1.891 178.492 176.600 0.001 0.000 1.000 383 E CA 1.703 58.095 56.400 -0.013 0.000 0.804 383 E CB -0.122 29.567 29.700 -0.018 0.000 0.740 383 E HN 0.343 nan 8.360 nan 0.000 0.454 384 A N 0.801 123.621 122.820 -0.001 0.000 1.975 384 A HA -0.087 4.234 4.320 0.002 0.000 0.215 384 A C 1.949 179.554 177.584 0.034 0.000 1.170 384 A CA 0.753 52.795 52.037 0.008 0.000 0.656 384 A CB -0.232 18.767 19.000 -0.003 0.000 0.821 384 A HN 0.147 nan 8.150 nan 0.000 0.449 385 E N -0.102 120.124 120.200 0.043 0.000 2.209 385 E HA -0.128 4.223 4.350 0.002 0.000 0.196 385 E C 2.043 178.743 176.600 0.166 0.000 0.993 385 E CA 0.959 57.411 56.400 0.086 0.000 0.819 385 E CB -0.158 29.584 29.700 0.069 0.000 0.745 385 E HN 0.647 nan 8.360 nan 0.000 0.477 386 A N 0.744 123.645 122.820 0.136 0.000 1.943 386 A HA 0.207 4.528 4.320 0.002 0.000 0.213 386 A C 2.205 179.907 177.584 0.197 0.000 1.181 386 A CA 0.823 52.971 52.037 0.186 0.000 0.653 386 A CB -0.058 19.004 19.000 0.103 0.000 0.833 386 A HN 0.238 nan 8.150 nan 0.000 0.451 387 A N -0.031 122.855 122.820 0.111 0.000 2.239 387 A HA 0.269 4.591 4.320 0.002 0.000 0.209 387 A C 1.282 178.964 177.584 0.163 0.000 1.171 387 A CA 0.305 52.390 52.037 0.080 0.000 0.768 387 A CB -0.777 18.209 19.000 -0.025 0.000 0.790 387 A HN 0.641 nan 8.150 nan 0.000 0.478 388 M N -2.311 117.352 119.600 0.104 0.000 2.061 388 M HA 0.218 4.699 4.480 0.002 0.000 0.266 388 M C 0.116 176.502 176.300 0.143 0.000 1.284 388 M CA 0.279 55.585 55.300 0.009 0.000 1.112 388 M CB -0.023 32.432 32.600 -0.242 0.000 1.365 388 M HN 0.159 nan 8.290 nan 0.000 0.453 389 F N 1.117 120.961 119.950 -0.176 0.000 2.471 389 F HA 0.328 4.856 4.527 0.002 0.000 0.318 389 F C 1.109 176.800 175.800 -0.181 0.000 1.308 389 F CA -1.146 56.682 58.000 -0.286 0.000 1.162 389 F CB -0.813 38.078 39.000 -0.181 0.000 1.383 389 F HN 0.548 nan 8.300 nan 0.000 0.552 390 H N 0.689 119.768 119.070 0.015 0.000 2.330 390 H HA -0.297 4.261 4.556 0.002 0.000 0.290 390 H C 2.284 177.466 175.328 -0.244 0.000 1.111 390 H CA 2.247 58.237 56.048 -0.097 0.000 1.226 390 H CB -0.048 29.604 29.762 -0.184 0.000 1.355 390 H HN 0.431 nan 8.280 nan 0.000 0.485 391 R N 1.115 121.401 120.500 -0.357 0.000 2.097 391 R HA -0.184 4.157 4.340 0.002 0.000 0.236 391 R C 2.502 178.623 176.300 -0.297 0.000 1.135 391 R CA 2.158 58.022 56.100 -0.394 0.000 0.934 391 R CB -0.085 29.936 30.300 -0.466 0.000 0.846 391 R HN 0.139 nan 8.270 nan 0.000 0.431 392 K N -0.114 119.905 120.400 -0.635 0.000 2.097 392 K HA -0.135 4.186 4.320 0.002 0.000 0.206 392 K C 1.959 178.527 176.600 -0.054 0.000 1.049 392 K CA 1.183 57.248 56.287 -0.371 0.000 0.933 392 K CB -0.177 32.021 32.500 -0.503 0.000 0.717 392 K HN 0.138 nan 8.250 nan 0.000 0.442 393 L N 0.024 121.230 121.223 -0.028 0.000 2.156 393 L HA -0.027 4.314 4.340 0.002 0.000 0.208 393 L C 1.841 178.825 176.870 0.190 0.000 1.095 393 L CA 1.428 56.319 54.840 0.084 0.000 0.770 393 L CB -0.491 41.614 42.059 0.075 0.000 0.914 393 L HN 0.193 nan 8.230 nan 0.000 0.439 394 F N 0.575 120.594 119.950 0.115 0.000 2.146 394 F HA -0.115 4.413 4.527 0.002 0.000 0.298 394 F C 2.168 178.057 175.800 0.148 0.000 1.096 394 F CA 1.750 59.882 58.000 0.221 0.000 1.275 394 F CB -0.277 38.961 39.000 0.395 0.000 1.008 394 F HN 0.216 nan 8.300 nan 0.000 0.480 395 E N 0.344 120.744 120.200 0.334 0.000 2.023 395 E HA -0.248 4.103 4.350 0.002 0.000 0.196 395 E C 2.091 178.741 176.600 0.082 0.000 1.003 395 E CA 1.836 58.347 56.400 0.186 0.000 0.809 395 E CB -0.425 29.341 29.700 0.110 0.000 0.755 395 E HN 0.569 nan 8.360 nan 0.000 0.449 396 E N 0.500 120.748 120.200 0.080 0.000 2.118 396 E HA -0.207 4.144 4.350 0.002 0.000 0.195 396 E C 2.078 178.700 176.600 0.036 0.000 0.992 396 E CA 0.617 57.053 56.400 0.060 0.000 0.804 396 E CB -0.056 29.684 29.700 0.067 0.000 0.741 396 E HN 0.082 nan 8.360 nan 0.000 0.458 397 L N 0.719 121.960 121.223 0.030 0.000 2.083 397 L HA -0.134 4.207 4.340 0.002 0.000 0.209 397 L C 2.246 179.126 176.870 0.017 0.000 1.083 397 L CA 1.737 56.580 54.840 0.005 0.000 0.752 397 L CB -0.922 41.144 42.059 0.012 0.000 0.899 397 L HN 0.049 nan 8.230 nan 0.000 0.433 398 A N -0.931 121.863 122.820 -0.043 0.000 1.897 398 A HA -0.162 4.159 4.320 0.002 0.000 0.215 398 A C 2.383 179.954 177.584 -0.022 0.000 1.181 398 A CA 1.128 53.116 52.037 -0.082 0.000 0.620 398 A CB -0.368 18.538 19.000 -0.157 0.000 0.821 398 A HN 0.382 nan 8.150 nan 0.000 0.443 399 R N 0.054 120.557 120.500 0.006 0.000 2.120 399 R HA -0.110 4.231 4.340 0.002 0.000 0.234 399 R C 2.629 178.954 176.300 0.041 0.000 1.123 399 R CA 1.451 57.566 56.100 0.024 0.000 0.975 399 R CB -0.474 29.846 30.300 0.033 0.000 0.866 399 R HN 0.674 nan 8.270 nan 0.000 0.446 400 S N 1.112 116.837 115.700 0.043 0.000 2.351 400 S HA -0.189 4.282 4.470 0.002 0.000 0.220 400 S C 2.090 176.754 174.600 0.107 0.000 1.035 400 S CA 1.943 60.184 58.200 0.069 0.000 1.031 400 S CB -0.376 62.851 63.200 0.044 0.000 0.928 400 S HN 0.406 nan 8.310 nan 0.000 0.433 401 S N 1.432 117.143 115.700 0.019 0.000 2.603 401 S HA -0.008 4.463 4.470 0.002 0.000 0.229 401 S C 1.926 176.395 174.600 -0.218 0.000 0.972 401 S CA 1.089 59.205 58.200 -0.140 0.000 0.935 401 S CB -0.986 62.185 63.200 -0.048 0.000 0.769 401 S HN 0.894 nan 8.310 nan 0.000 0.536 402 S N 2.601 118.271 115.700 -0.050 0.000 2.428 402 S HA -0.341 4.131 4.470 0.002 0.000 0.240 402 S C 1.674 176.262 174.600 -0.020 0.000 1.036 402 S CA 1.701 59.885 58.200 -0.027 0.000 1.009 402 S CB -1.381 61.828 63.200 0.016 0.000 0.803 402 S HN 1.028 nan 8.310 nan 0.000 0.486 403 H N 0.958 120.027 119.070 -0.001 0.000 2.423 403 H HA 0.281 4.838 4.556 0.002 0.000 0.297 403 H C 1.182 176.506 175.328 -0.007 0.000 1.075 403 H CA 0.825 56.871 56.048 -0.004 0.000 1.342 403 H CB -0.592 29.169 29.762 -0.003 0.000 1.395 403 H HN 0.475 nan 8.280 nan 0.000 0.530 404 S N 0.786 116.259 115.700 -0.379 0.000 2.480 404 S HA 0.210 4.682 4.470 0.002 0.000 0.286 404 S C 0.814 175.323 174.600 -0.150 0.000 1.180 404 S CA -0.230 57.824 58.200 -0.244 0.000 1.075 404 S CB 1.213 64.243 63.200 -0.283 0.000 0.996 404 S HN 0.542 nan 8.310 nan 0.000 0.487 405 T N 0.342 114.839 114.554 -0.094 0.000 3.215 405 T HA 0.234 4.585 4.350 0.002 0.000 0.271 405 T C -0.025 174.619 174.700 -0.093 0.000 1.012 405 T CA -0.529 61.523 62.100 -0.080 0.000 0.899 405 T CB -0.448 68.390 68.868 -0.051 0.000 1.089 405 T HN 0.613 nan 8.240 nan 0.000 0.552 406 D N 1.124 121.458 120.400 -0.111 0.000 2.472 406 D HA 0.084 4.725 4.640 0.002 0.000 0.237 406 D C 1.150 177.330 176.300 -0.201 0.000 1.141 406 D CA -0.477 53.434 54.000 -0.149 0.000 0.875 406 D CB 0.589 41.304 40.800 -0.141 0.000 1.192 406 D HN -0.069 nan 8.370 nan 0.000 0.450 407 L N 3.359 124.396 121.223 -0.309 0.000 2.046 407 L HA -0.122 4.219 4.340 0.002 0.000 0.208 407 L C 2.117 178.712 176.870 -0.459 0.000 1.077 407 L CA 1.479 56.093 54.840 -0.376 0.000 0.747 407 L CB -1.035 40.720 42.059 -0.507 0.000 0.896 407 L HN 0.651 nan 8.230 nan 0.000 0.432 408 M N -0.712 118.472 119.600 -0.694 0.000 2.200 408 M HA -0.123 4.358 4.480 0.002 0.000 0.265 408 M C 2.108 178.336 176.300 -0.120 0.000 1.066 408 M CA 1.473 56.535 55.300 -0.397 0.000 1.127 408 M CB -0.348 32.013 32.600 -0.397 0.000 1.379 408 M HN 0.234 nan 8.290 nan 0.000 0.420 409 E N -0.184 119.944 120.200 -0.119 0.000 2.038 409 E HA -0.216 4.135 4.350 0.002 0.000 0.195 409 E C 1.993 178.525 176.600 -0.113 0.000 1.000 409 E CA 1.425 57.805 56.400 -0.033 0.000 0.803 409 E CB -0.346 29.337 29.700 -0.028 0.000 0.750 409 E HN 0.644 nan 8.360 nan 0.000 0.448 410 A N 1.028 123.774 122.820 -0.124 0.000 1.892 410 A HA -0.277 4.044 4.320 0.002 0.000 0.218 410 A C 2.124 179.670 177.584 -0.065 0.000 1.188 410 A CA 2.079 54.052 52.037 -0.108 0.000 0.631 410 A CB -0.544 18.410 19.000 -0.076 0.000 0.822 410 A HN 0.208 nan 8.150 nan 0.000 0.447 411 M N -0.212 119.381 119.600 -0.012 0.000 2.117 411 M HA -0.064 4.417 4.480 0.002 0.000 0.262 411 M C 2.227 178.542 176.300 0.025 0.000 1.065 411 M CA 1.725 57.056 55.300 0.052 0.000 1.114 411 M CB -0.601 32.099 32.600 0.166 0.000 1.361 411 M HN 0.423 nan 8.290 nan 0.000 0.408 412 A N -0.277 122.551 122.820 0.012 0.000 1.898 412 A HA -0.174 4.148 4.320 0.002 0.000 0.216 412 A C 2.125 179.685 177.584 -0.040 0.000 1.181 412 A CA 1.944 54.003 52.037 0.036 0.000 0.620 412 A CB -0.693 18.390 19.000 0.138 0.000 0.819 412 A HN 0.613 nan 8.150 nan 0.000 0.442 413 M N -0.477 118.990 119.600 -0.222 0.000 2.175 413 M HA -0.043 4.438 4.480 0.002 0.000 0.264 413 M C 2.294 178.616 176.300 0.036 0.000 1.063 413 M CA 1.385 56.565 55.300 -0.200 0.000 1.119 413 M CB -0.852 31.484 32.600 -0.439 0.000 1.377 413 M HN 0.432 nan 8.290 nan 0.000 0.415 414 G N 1.067 109.853 108.800 -0.023 0.000 2.433 414 G HA2 -0.219 3.742 3.960 0.002 0.000 0.216 414 G HA3 -0.219 3.742 3.960 0.002 0.000 0.216 414 G C 1.655 176.529 174.900 -0.044 0.000 1.186 414 G CA 1.329 46.418 45.100 -0.019 0.000 0.779 414 G HN 0.542 nan 8.290 nan 0.000 0.543 415 S N 0.661 116.343 115.700 -0.030 0.000 2.359 415 S HA -0.162 4.309 4.470 0.002 0.000 0.224 415 S C 2.357 176.891 174.600 -0.111 0.000 1.035 415 S CA 1.414 59.588 58.200 -0.044 0.000 1.018 415 S CB -0.779 62.418 63.200 -0.005 0.000 0.876 415 S HN 0.158 nan 8.310 nan 0.000 0.448 416 V N 2.573 122.423 119.914 -0.107 0.000 2.219 416 V HA -0.282 3.839 4.120 0.002 0.000 0.248 416 V C 2.760 178.457 176.094 -0.662 0.000 1.053 416 V CA 2.444 64.570 62.300 -0.290 0.000 1.009 416 V CB -1.056 30.743 31.823 -0.040 0.000 0.636 416 V HN 0.532 nan 8.190 nan 0.000 0.445 417 E N 0.490 120.331 120.200 -0.599 0.000 2.065 417 E HA -0.279 4.072 4.350 0.002 0.000 0.201 417 E C 2.109 178.538 176.600 -0.286 0.000 1.016 417 E CA 2.073 58.123 56.400 -0.584 0.000 0.818 417 E CB -0.594 28.890 29.700 -0.361 0.000 0.749 417 E HN 0.529 nan 8.360 nan 0.000 0.453 418 A N 0.324 123.032 122.820 -0.185 0.000 1.873 418 A HA -0.273 4.049 4.320 0.002 0.000 0.218 418 A C 2.467 179.997 177.584 -0.091 0.000 1.193 418 A CA 2.772 54.748 52.037 -0.102 0.000 0.629 418 A CB -1.408 17.547 19.000 -0.073 0.000 0.826 418 A HN 0.460 nan 8.150 nan 0.000 0.447 419 S N -1.482 114.137 115.700 -0.135 0.000 2.387 419 S HA -0.236 4.236 4.470 0.002 0.000 0.230 419 S C 1.932 176.512 174.600 -0.033 0.000 1.035 419 S CA 1.879 60.018 58.200 -0.101 0.000 1.014 419 S CB -0.672 62.439 63.200 -0.149 0.000 0.836 419 S HN 0.536 nan 8.310 nan 0.000 0.466 420 Y N 1.879 122.106 120.300 -0.123 0.000 2.163 420 Y HA 0.130 4.681 4.550 0.002 0.000 0.288 420 Y C 2.602 178.442 175.900 -0.101 0.000 1.136 420 Y CA 1.143 59.160 58.100 -0.137 0.000 1.147 420 Y CB -1.160 37.178 38.460 -0.203 0.000 0.987 420 Y HN 0.289 nan 8.280 nan 0.000 0.509 421 K N 0.910 121.354 120.400 0.074 0.000 2.044 421 K HA -0.163 4.158 4.320 0.002 0.000 0.210 421 K C 1.739 178.347 176.600 0.013 0.000 1.049 421 K CA 2.077 58.377 56.287 0.022 0.000 0.927 421 K CB -0.792 31.704 32.500 -0.007 0.000 0.713 421 K HN 0.459 nan 8.250 nan 0.000 0.443 422 C N -0.854 118.450 119.300 0.006 0.000 2.780 422 C HA 0.500 4.961 4.460 0.002 0.000 0.287 422 C C 0.203 175.199 174.990 0.010 0.000 1.288 422 C CA -0.894 58.126 59.018 0.003 0.000 1.713 422 C CB -1.117 26.619 27.740 -0.007 0.000 1.955 422 C HN 0.403 nan 8.230 nan 0.000 0.613 423 L N 0.899 122.136 121.223 0.022 0.000 3.597 423 L HA -0.157 4.184 4.340 0.002 0.000 0.440 423 L C 1.082 177.965 176.870 0.022 0.000 1.277 423 L CA 0.643 55.499 54.840 0.027 0.000 0.852 423 L CB -2.363 39.710 42.059 0.023 0.000 1.708 423 L HN 0.743 nan 8.230 nan 0.000 0.885 424 A N -0.240 122.588 122.820 0.013 0.000 2.555 424 A HA 0.491 4.812 4.320 0.002 0.000 0.233 424 A C 1.492 179.096 177.584 0.034 0.000 1.060 424 A CA 0.659 52.701 52.037 0.008 0.000 0.759 424 A CB 0.329 19.324 19.000 -0.009 0.000 0.995 424 A HN 1.130 nan 8.150 nan 0.000 0.506 425 A N 1.078 123.932 122.820 0.057 0.000 2.251 425 A HA 0.570 4.891 4.320 0.002 0.000 0.209 425 A C 0.934 178.636 177.584 0.198 0.000 1.187 425 A CA 1.384 53.502 52.037 0.135 0.000 0.823 425 A CB -0.596 18.526 19.000 0.204 0.000 0.846 425 A HN 2.523 nan 8.150 nan 0.000 0.486 426 A N -1.895 121.006 122.820 0.134 0.000 2.415 426 A HA 0.572 4.893 4.320 0.002 0.000 0.294 426 A C -2.302 175.331 177.584 0.081 0.000 1.019 426 A CA -0.574 51.553 52.037 0.149 0.000 0.603 426 A CB 0.039 19.266 19.000 0.379 0.000 1.382 426 A HN 0.456 nan 8.150 nan 0.000 0.483 427 L N 0.232 121.508 121.223 0.088 0.000 2.439 427 L HA 0.656 4.997 4.340 0.002 0.000 0.270 427 L C -0.920 175.997 176.870 0.078 0.000 0.972 427 L CA 0.125 55.000 54.840 0.058 0.000 0.836 427 L CB 1.658 43.744 42.059 0.044 0.000 1.255 427 L HN 0.591 nan 8.230 nan 0.000 0.404 428 I N 3.458 124.063 120.570 0.059 0.000 2.359 428 I HA 0.611 4.782 4.170 0.002 0.000 0.294 428 I C -0.569 175.579 176.117 0.052 0.000 0.987 428 I CA -0.564 60.775 61.300 0.066 0.000 1.225 428 I CB 1.648 39.678 38.000 0.050 0.000 1.366 428 I HN 0.205 nan 8.210 nan 0.000 0.466 429 V N 6.911 126.860 119.914 0.057 0.000 2.638 429 V HA 0.423 4.544 4.120 0.002 0.000 0.306 429 V C -0.639 175.476 176.094 0.035 0.000 1.052 429 V CA -0.727 61.602 62.300 0.047 0.000 0.885 429 V CB 1.872 33.722 31.823 0.046 0.000 0.999 429 V HN 0.295 nan 8.190 nan 0.000 0.424 430 L N 3.734 124.975 121.223 0.031 0.000 2.265 430 L HA 0.794 5.135 4.340 0.002 0.000 0.289 430 L C 0.214 177.100 176.870 0.026 0.000 1.033 430 L CA 0.645 55.494 54.840 0.015 0.000 0.814 430 L CB 1.203 43.255 42.059 -0.010 0.000 1.203 430 L HN 0.872 nan 8.230 nan 0.000 0.423 431 T N 1.259 115.818 114.554 0.008 0.000 2.843 431 T HA 0.544 4.895 4.350 0.002 0.000 0.302 431 T C 0.135 174.835 174.700 -0.001 0.000 1.232 431 T CA -0.299 61.803 62.100 0.003 0.000 1.009 431 T CB 1.435 70.278 68.868 -0.041 0.000 1.254 431 T HN 0.613 nan 8.240 nan 0.000 0.504 432 E N 0.383 120.587 120.200 0.006 0.000 2.467 432 E HA 0.114 4.465 4.350 0.002 0.000 0.213 432 E C 1.844 178.448 176.600 0.007 0.000 0.823 432 E CA 0.531 56.941 56.400 0.016 0.000 1.233 432 E CB 0.232 29.957 29.700 0.042 0.000 1.233 432 E HN 0.588 nan 8.360 nan 0.000 0.585 433 S N -0.176 115.517 115.700 -0.012 0.000 2.439 433 S HA 0.218 4.689 4.470 0.002 0.000 0.224 433 S C 1.810 176.352 174.600 -0.097 0.000 1.029 433 S CA 0.822 59.010 58.200 -0.020 0.000 0.946 433 S CB 0.376 63.569 63.200 -0.012 0.000 0.797 433 S HN 0.329 nan 8.310 nan 0.000 0.504 434 G N 1.769 110.449 108.800 -0.200 0.000 2.268 434 G HA2 -0.361 3.600 3.960 0.002 0.000 0.240 434 G HA3 -0.361 3.600 3.960 0.002 0.000 0.240 434 G C 1.004 175.332 174.900 -0.953 0.000 1.010 434 G CA 0.421 45.238 45.100 -0.471 0.000 0.618 434 G HN 0.421 nan 8.290 nan 0.000 0.516 435 R N 1.752 121.913 120.500 -0.565 0.000 2.143 435 R HA -0.098 4.243 4.340 0.002 0.000 0.239 435 R C 3.016 179.168 176.300 -0.246 0.000 1.126 435 R CA 2.671 58.564 56.100 -0.345 0.000 0.927 435 R CB -1.022 29.239 30.300 -0.064 0.000 0.860 435 R HN 0.590 nan 8.270 nan 0.000 0.433 436 S N 0.648 116.275 115.700 -0.123 0.000 2.380 436 S HA -0.305 4.166 4.470 0.002 0.000 0.229 436 S C 2.161 176.733 174.600 -0.047 0.000 1.050 436 S CA 1.544 59.735 58.200 -0.016 0.000 1.100 436 S CB -0.868 62.368 63.200 0.060 0.000 0.984 436 S HN 0.553 nan 8.310 nan 0.000 0.434 437 A N 1.647 124.391 122.820 -0.127 0.000 1.972 437 A HA -0.165 4.156 4.320 0.002 0.000 0.219 437 A C 1.826 179.387 177.584 -0.038 0.000 1.169 437 A CA 1.671 53.666 52.037 -0.071 0.000 0.635 437 A CB -1.040 17.922 19.000 -0.064 0.000 0.810 437 A HN 0.747 nan 8.150 nan 0.000 0.446 438 H N -1.500 117.444 119.070 -0.209 0.000 2.319 438 H HA -0.183 4.374 4.556 0.002 0.000 0.299 438 H C 2.399 177.660 175.328 -0.113 0.000 1.092 438 H CA 1.528 57.367 56.048 -0.348 0.000 1.302 438 H CB 0.024 29.514 29.762 -0.454 0.000 1.373 438 H HN 0.536 nan 8.280 nan 0.000 0.497 439 Q N 0.428 120.285 119.800 0.095 0.000 2.124 439 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 439 Q C 2.449 178.562 176.000 0.189 0.000 0.977 439 Q CA 1.246 57.123 55.803 0.122 0.000 0.850 439 Q CB 0.122 28.932 28.738 0.119 0.000 0.901 439 Q HN 0.250 nan 8.270 nan 0.000 0.429 440 V N 0.221 120.226 119.914 0.152 0.000 2.343 440 V HA -0.287 3.834 4.120 0.002 0.000 0.247 440 V C 2.134 178.336 176.094 0.179 0.000 1.051 440 V CA 1.795 64.197 62.300 0.171 0.000 1.036 440 V CB -1.054 30.836 31.823 0.111 0.000 0.654 440 V HN 0.468 nan 8.190 nan 0.000 0.451 441 A N 0.219 123.123 122.820 0.141 0.000 1.969 441 A HA -0.226 4.095 4.320 0.002 0.000 0.218 441 A C 2.391 180.044 177.584 0.115 0.000 1.169 441 A CA 1.780 53.907 52.037 0.149 0.000 0.635 441 A CB -0.589 18.520 19.000 0.182 0.000 0.810 441 A HN 0.523 nan 8.150 nan 0.000 0.445 442 R N -1.507 119.018 120.500 0.043 0.000 2.117 442 R HA -0.206 4.135 4.340 0.002 0.000 0.243 442 R C 0.931 177.041 176.300 -0.317 0.000 1.143 442 R CA 1.978 57.983 56.100 -0.158 0.000 0.968 442 R CB -0.434 29.695 30.300 -0.285 0.000 0.863 442 R HN 0.530 nan 8.270 nan 0.000 0.444 443 Y N 1.333 121.679 120.300 0.076 0.000 2.465 443 Y HA 0.192 4.743 4.550 0.002 0.000 0.311 443 Y C 0.013 176.057 175.900 0.240 0.000 1.204 443 Y CA -0.059 58.097 58.100 0.093 0.000 1.272 443 Y CB 0.143 38.637 38.460 0.056 0.000 1.083 443 Y HN -0.028 nan 8.280 nan 0.000 0.508 444 R N -0.552 120.112 120.500 0.274 0.000 3.022 444 R HA -0.172 4.169 4.340 0.002 0.000 0.248 444 R C -2.891 173.674 176.300 0.442 0.000 0.874 444 R CA 0.044 56.342 56.100 0.331 0.000 0.626 444 R CB -1.860 28.623 30.300 0.305 0.000 1.255 444 R HN 0.274 nan 8.270 nan 0.000 0.496 445 P HA 0.095 nan 4.420 nan 0.000 0.275 445 P C 0.693 178.118 177.300 0.210 0.000 1.266 445 P CA -0.289 62.920 63.100 0.183 0.000 0.793 445 P CB 0.554 32.290 31.700 0.060 0.000 1.074 446 R N -0.059 120.474 120.500 0.056 0.000 2.254 446 R HA 0.311 4.652 4.340 0.002 0.000 0.193 446 R C 0.561 176.844 176.300 -0.028 0.000 0.929 446 R CA 0.231 56.237 56.100 -0.156 0.000 1.038 446 R CB 0.059 30.037 30.300 -0.537 0.000 1.009 446 R HN 0.501 nan 8.270 nan 0.000 0.512 447 A N 1.705 124.522 122.820 -0.006 0.000 2.248 447 A HA 0.630 4.951 4.320 0.002 0.000 0.316 447 A C -2.488 175.086 177.584 -0.016 0.000 1.101 447 A CA -1.892 50.134 52.037 -0.019 0.000 0.875 447 A CB 0.558 19.560 19.000 0.003 0.000 1.207 447 A HN 0.165 nan 8.150 nan 0.000 0.504 448 P HA 0.485 nan 4.420 nan 0.000 0.282 448 P C -1.038 176.282 177.300 0.034 0.000 1.249 448 P CA -0.028 63.038 63.100 -0.058 0.000 0.806 448 P CB 0.708 32.256 31.700 -0.252 0.000 0.984 449 I N 2.882 123.500 120.570 0.080 0.000 2.353 449 I HA 0.332 4.503 4.170 0.002 0.000 0.293 449 I C 0.507 176.717 176.117 0.154 0.000 0.992 449 I CA -0.389 60.976 61.300 0.108 0.000 1.268 449 I CB 0.750 38.815 38.000 0.108 0.000 1.387 449 I HN 0.074 nan 8.210 nan 0.000 0.478 450 I N 6.155 126.819 120.570 0.156 0.000 2.405 450 I HA 0.429 4.601 4.170 0.002 0.000 0.280 450 I C 0.056 176.263 176.117 0.150 0.000 1.027 450 I CA -0.486 60.935 61.300 0.201 0.000 1.161 450 I CB 1.292 39.413 38.000 0.201 0.000 1.300 450 I HN 0.602 nan 8.210 nan 0.000 0.463 451 A N 7.000 129.902 122.820 0.136 0.000 2.276 451 A HA 0.641 4.962 4.320 0.002 0.000 0.300 451 A C -0.187 177.437 177.584 0.066 0.000 1.235 451 A CA -0.405 51.677 52.037 0.076 0.000 0.867 451 A CB 0.600 19.626 19.000 0.043 0.000 1.137 451 A HN 0.473 nan 8.150 nan 0.000 0.527 452 V N 2.621 122.561 119.914 0.045 0.000 2.350 452 V HA 0.663 4.784 4.120 0.002 0.000 0.276 452 V C 0.488 176.582 176.094 -0.001 0.000 1.028 452 V CA -0.212 62.104 62.300 0.028 0.000 0.860 452 V CB 0.714 32.549 31.823 0.021 0.000 0.990 452 V HN 0.953 nan 8.190 nan 0.000 0.453 453 T N 3.710 118.257 114.554 -0.013 0.000 2.883 453 T HA 0.514 4.865 4.350 0.002 0.000 0.296 453 T C 0.416 175.077 174.700 -0.065 0.000 1.117 453 T CA -0.601 61.480 62.100 -0.031 0.000 1.006 453 T CB 2.202 71.053 68.868 -0.028 0.000 1.191 453 T HN 0.652 nan 8.240 nan 0.000 0.508 454 R N 0.829 121.295 120.500 -0.057 0.000 2.404 454 R HA 0.281 4.622 4.340 0.002 0.000 0.237 454 R C 0.138 176.397 176.300 -0.069 0.000 0.907 454 R CA -0.253 55.808 56.100 -0.066 0.000 1.063 454 R CB 0.335 30.627 30.300 -0.012 0.000 1.134 454 R HN 0.408 nan 8.270 nan 0.000 0.529 455 N N 0.726 119.401 118.700 -0.043 0.000 2.422 455 N HA 0.032 4.773 4.740 0.002 0.000 0.266 455 N C 0.515 176.014 175.510 -0.019 0.000 1.007 455 N CA 0.145 53.215 53.050 0.034 0.000 0.941 455 N CB 0.701 39.226 38.487 0.064 0.000 1.115 455 N HN 0.179 nan 8.380 nan 0.000 0.492 456 H N 2.207 121.320 119.070 0.073 0.000 2.299 456 H HA -0.105 4.452 4.556 0.002 0.000 0.302 456 H C 1.128 176.513 175.328 0.095 0.000 1.078 456 H CA 1.205 57.310 56.048 0.094 0.000 1.323 456 H CB 0.347 30.165 29.762 0.093 0.000 1.381 456 H HN 0.670 nan 8.280 nan 0.000 0.498 457 Q N 0.432 120.364 119.800 0.220 0.000 2.029 457 Q HA -0.169 4.173 4.340 0.002 0.000 0.209 457 Q C 2.275 178.361 176.000 0.144 0.000 0.999 457 Q CA 2.450 58.346 55.803 0.155 0.000 0.857 457 Q CB -0.017 28.795 28.738 0.122 0.000 0.926 457 Q HN 0.340 nan 8.270 nan 0.000 0.415 458 T N 0.356 114.982 114.554 0.122 0.000 2.653 458 T HA -0.238 4.113 4.350 0.002 0.000 0.268 458 T C 1.624 176.392 174.700 0.113 0.000 1.035 458 T CA 1.556 63.722 62.100 0.110 0.000 1.154 458 T CB -0.368 68.537 68.868 0.062 0.000 0.862 458 T HN 0.479 nan 8.240 nan 0.000 0.441 459 A N 0.666 123.533 122.820 0.078 0.000 2.119 459 A HA 0.045 4.366 4.320 0.002 0.000 0.217 459 A C 2.319 179.964 177.584 0.102 0.000 1.153 459 A CA 0.936 53.002 52.037 0.048 0.000 0.692 459 A CB -0.317 18.687 19.000 0.006 0.000 0.799 459 A HN 0.376 nan 8.150 nan 0.000 0.458 460 R N -0.559 120.045 120.500 0.173 0.000 2.080 460 R HA -0.040 4.301 4.340 0.002 0.000 0.222 460 R C 2.007 178.484 176.300 0.296 0.000 1.107 460 R CA 1.374 57.623 56.100 0.249 0.000 0.980 460 R CB -0.128 30.282 30.300 0.183 0.000 0.879 460 R HN 0.693 nan 8.270 nan 0.000 0.439 461 Q N -0.421 119.521 119.800 0.237 0.000 2.432 461 Q HA 0.126 4.467 4.340 0.002 0.000 0.205 461 Q C 1.567 177.776 176.000 0.347 0.000 0.945 461 Q CA 0.658 56.618 55.803 0.262 0.000 0.924 461 Q CB 0.379 29.259 28.738 0.237 0.000 1.016 461 Q HN 0.224 nan 8.270 nan 0.000 0.503 462 A N 0.347 123.344 122.820 0.295 0.000 2.209 462 A HA -0.131 4.190 4.320 0.002 0.000 0.212 462 A C 1.105 178.896 177.584 0.344 0.000 1.158 462 A CA 0.748 52.998 52.037 0.356 0.000 0.742 462 A CB -0.476 18.623 19.000 0.165 0.000 0.790 462 A HN 0.354 nan 8.150 nan 0.000 0.472 463 H N -1.194 117.994 119.070 0.198 0.000 2.423 463 H HA -0.043 4.514 4.556 0.002 0.000 0.297 463 H C 1.608 176.984 175.328 0.081 0.000 1.075 463 H CA 1.244 57.361 56.048 0.114 0.000 1.342 463 H CB -0.000 29.794 29.762 0.054 0.000 1.395 463 H HN 0.366 nan 8.280 nan 0.000 0.530 464 L N 0.175 121.485 121.223 0.145 0.000 2.263 464 L HA -0.187 4.154 4.340 0.002 0.000 0.216 464 L C -0.143 176.500 176.870 -0.380 0.000 1.111 464 L CA 1.276 56.008 54.840 -0.178 0.000 0.773 464 L CB -0.620 41.176 42.059 -0.439 0.000 0.906 464 L HN 0.247 nan 8.230 nan 0.000 0.439 465 Y N -1.139 119.191 120.300 0.051 0.000 2.323 465 Y HA 0.467 5.018 4.550 0.002 0.000 0.331 465 Y C 0.879 176.820 175.900 0.069 0.000 1.092 465 Y CA -1.388 56.738 58.100 0.043 0.000 1.150 465 Y CB 0.399 38.887 38.460 0.047 0.000 1.200 465 Y HN -0.139 nan 8.280 nan 0.000 0.472 466 R N 1.172 121.784 120.500 0.186 0.000 2.491 466 R HA 0.455 4.796 4.340 0.002 0.000 0.283 466 R C 1.106 177.506 176.300 0.166 0.000 1.072 466 R CA 0.933 57.119 56.100 0.142 0.000 1.048 466 R CB -0.045 30.322 30.300 0.111 0.000 0.983 466 R HN 0.936 nan 8.270 nan 0.000 0.450 467 G N 4.105 112.992 108.800 0.146 0.000 2.498 467 G HA2 -0.308 3.653 3.960 0.002 0.000 0.229 467 G HA3 -0.308 3.653 3.960 0.002 0.000 0.229 467 G C 0.335 175.328 174.900 0.154 0.000 1.156 467 G CA 0.153 45.335 45.100 0.135 0.000 0.680 467 G HN 0.589 nan 8.290 nan 0.000 0.512 468 I N 0.654 121.331 120.570 0.178 0.000 2.752 468 I HA 0.378 4.549 4.170 0.002 0.000 0.287 468 I C 0.063 176.291 176.117 0.184 0.000 1.188 468 I CA 0.312 61.716 61.300 0.174 0.000 1.427 468 I CB 0.478 38.580 38.000 0.170 0.000 1.365 468 I HN 0.158 nan 8.210 nan 0.000 0.585 469 F N 8.094 128.056 119.950 0.019 0.000 2.824 469 F HA 0.420 4.947 4.527 0.002 0.000 0.375 469 F C -2.406 173.380 175.800 -0.023 0.000 1.190 469 F CA -2.375 55.630 58.000 0.008 0.000 1.180 469 F CB 0.800 39.867 39.000 0.112 0.000 1.477 469 F HN 0.182 nan 8.300 nan 0.000 0.542 470 P HA 0.158 nan 4.420 nan 0.000 0.266 470 P C -1.021 176.281 177.300 0.004 0.000 1.195 470 P CA 0.107 63.151 63.100 -0.094 0.000 0.768 470 P CB 1.432 33.007 31.700 -0.208 0.000 0.838 471 V N 3.767 123.732 119.914 0.085 0.000 2.569 471 V HA 0.194 4.315 4.120 0.002 0.000 0.301 471 V C -0.116 176.018 176.094 0.067 0.000 1.044 471 V CA -0.734 61.642 62.300 0.125 0.000 0.874 471 V CB 2.384 34.312 31.823 0.176 0.000 1.002 471 V HN 0.218 nan 8.190 nan 0.000 0.424 472 V N 3.658 123.621 119.914 0.082 0.000 2.407 472 V HA 0.291 4.412 4.120 0.002 0.000 0.278 472 V C 0.228 176.326 176.094 0.007 0.000 1.037 472 V CA -0.435 61.870 62.300 0.009 0.000 0.900 472 V CB 1.502 33.319 31.823 -0.011 0.000 0.983 472 V HN 0.985 nan 8.190 nan 0.000 0.459 473 C N 6.012 125.290 119.300 -0.036 0.000 2.265 473 C HA 0.372 4.833 4.460 0.002 0.000 0.332 473 C C 1.491 176.468 174.990 -0.023 0.000 1.248 473 C CA -0.448 58.557 59.018 -0.022 0.000 1.727 473 C CB -0.372 27.350 27.740 -0.030 0.000 2.348 473 C HN 1.032 nan 8.230 nan 0.000 0.519 474 K N 1.837 122.234 120.400 -0.005 0.000 2.308 474 K HA 0.076 4.398 4.320 0.002 0.000 0.197 474 K C 0.201 176.804 176.600 0.005 0.000 1.049 474 K CA 0.240 56.533 56.287 0.011 0.000 0.991 474 K CB 0.090 32.593 32.500 0.005 0.000 0.836 474 K HN 0.727 nan 8.250 nan 0.000 0.500 475 D N 2.853 123.250 120.400 -0.005 0.000 2.515 475 D HA -0.035 4.606 4.640 0.002 0.000 0.232 475 D C -2.310 173.983 176.300 -0.011 0.000 1.157 475 D CA -0.407 53.586 54.000 -0.011 0.000 0.871 475 D CB 0.201 40.990 40.800 -0.018 0.000 1.200 475 D HN 0.050 nan 8.370 nan 0.000 0.466 476 P HA 0.145 nan 4.420 nan 0.000 0.281 476 P C -0.640 176.649 177.300 -0.018 0.000 1.264 476 P CA -0.691 62.404 63.100 -0.008 0.000 0.824 476 P CB 0.660 32.358 31.700 -0.004 0.000 1.092 477 V N 2.286 122.193 119.914 -0.012 0.000 2.763 477 V HA 0.000 4.121 4.120 0.002 0.000 0.306 477 V C 0.832 176.916 176.094 -0.017 0.000 1.059 477 V CA 0.301 62.591 62.300 -0.016 0.000 1.138 477 V CB -0.360 31.465 31.823 0.004 0.000 0.940 477 V HN 0.471 nan 8.190 nan 0.000 0.489 478 Q N 3.157 122.939 119.800 -0.030 0.000 2.256 478 Q HA 0.308 4.649 4.340 0.002 0.000 0.257 478 Q C 0.716 176.713 176.000 -0.005 0.000 0.936 478 Q CA -0.722 55.065 55.803 -0.027 0.000 0.903 478 Q CB 1.874 30.581 28.738 -0.052 0.000 1.263 478 Q HN 0.636 nan 8.270 nan 0.000 0.440 479 E N 1.099 121.301 120.200 0.003 0.000 2.171 479 E HA -0.131 4.220 4.350 0.002 0.000 0.197 479 E C 0.173 176.794 176.600 0.034 0.000 0.997 479 E CA 0.884 57.295 56.400 0.018 0.000 0.810 479 E CB 0.096 29.802 29.700 0.009 0.000 0.738 479 E HN 0.581 nan 8.360 nan 0.000 0.467 480 A N 1.405 124.236 122.820 0.019 0.000 2.252 480 A HA 0.131 4.452 4.320 0.002 0.000 0.309 480 A C 0.777 178.387 177.584 0.043 0.000 1.285 480 A CA -0.608 51.448 52.037 0.033 0.000 0.900 480 A CB -0.049 18.952 19.000 0.002 0.000 1.157 480 A HN 0.357 nan 8.150 nan 0.000 0.536 481 W N 3.355 124.606 121.300 -0.082 0.000 2.290 481 W HA -0.387 4.275 4.660 0.002 0.000 0.328 481 W C 1.729 178.192 176.519 -0.094 0.000 1.272 481 W CA 2.965 60.254 57.345 -0.094 0.000 1.262 481 W CB -0.415 28.967 29.460 -0.130 0.000 1.151 481 W HN 0.765 nan 8.180 nan 0.000 0.473 482 A N 0.443 123.240 122.820 -0.038 0.000 2.032 482 A HA -0.267 4.054 4.320 0.002 0.000 0.221 482 A C 1.840 179.325 177.584 -0.165 0.000 1.165 482 A CA 2.155 54.119 52.037 -0.123 0.000 0.645 482 A CB -0.818 18.156 19.000 -0.043 0.000 0.807 482 A HN 0.613 nan 8.150 nan 0.000 0.453 483 E N -0.843 119.273 120.200 -0.139 0.000 2.021 483 E HA -0.148 4.204 4.350 0.002 0.000 0.189 483 E C 1.799 178.293 176.600 -0.176 0.000 0.980 483 E CA 0.709 57.036 56.400 -0.122 0.000 0.803 483 E CB -0.253 29.400 29.700 -0.078 0.000 0.766 483 E HN 0.554 nan 8.360 nan 0.000 0.449 484 D N 0.884 121.150 120.400 -0.223 0.000 2.160 484 D HA -0.185 4.456 4.640 0.002 0.000 0.189 484 D C 1.994 178.084 176.300 -0.350 0.000 1.003 484 D CA 1.140 54.976 54.000 -0.274 0.000 0.846 484 D CB -0.258 40.337 40.800 -0.341 0.000 0.949 484 D HN -0.057 nan 8.370 nan 0.000 0.446 485 V N 0.377 119.968 119.914 -0.539 0.000 2.220 485 V HA -0.278 3.843 4.120 0.002 0.000 0.246 485 V C 2.083 178.019 176.094 -0.263 0.000 1.049 485 V CA 2.409 64.412 62.300 -0.494 0.000 1.003 485 V CB -0.692 30.784 31.823 -0.580 0.000 0.634 485 V HN 0.187 nan 8.190 nan 0.000 0.444 486 D N -0.662 119.608 120.400 -0.217 0.000 2.315 486 D HA -0.187 4.454 4.640 0.002 0.000 0.211 486 D C 1.720 177.957 176.300 -0.105 0.000 0.977 486 D CA 1.096 55.018 54.000 -0.130 0.000 0.894 486 D CB -0.094 40.645 40.800 -0.102 0.000 0.910 486 D HN 0.392 nan 8.370 nan 0.000 0.490 487 L N 0.433 121.582 121.223 -0.124 0.000 2.049 487 L HA 0.006 4.347 4.340 0.002 0.000 0.203 487 L C 1.869 178.696 176.870 -0.072 0.000 1.074 487 L CA 1.430 56.216 54.840 -0.089 0.000 0.749 487 L CB -0.347 41.656 42.059 -0.094 0.000 0.907 487 L HN -0.177 nan 8.230 nan 0.000 0.439 488 R N -0.458 119.986 120.500 -0.093 0.000 2.103 488 R HA -0.157 4.184 4.340 0.002 0.000 0.242 488 R C 2.152 178.431 176.300 -0.035 0.000 1.142 488 R CA 1.648 57.709 56.100 -0.065 0.000 0.960 488 R CB -1.100 29.145 30.300 -0.092 0.000 0.858 488 R HN 0.352 nan 8.270 nan 0.000 0.439 489 V N 2.549 122.433 119.914 -0.049 0.000 2.287 489 V HA -0.285 3.837 4.120 0.002 0.000 0.248 489 V C 1.842 177.931 176.094 -0.008 0.000 1.053 489 V CA 2.012 64.296 62.300 -0.027 0.000 1.027 489 V CB -0.569 31.229 31.823 -0.042 0.000 0.646 489 V HN 0.435 nan 8.190 nan 0.000 0.447 490 N N 0.122 118.811 118.700 -0.018 0.000 2.289 490 N HA -0.149 4.592 4.740 0.002 0.000 0.184 490 N C 1.763 177.284 175.510 0.017 0.000 1.016 490 N CA 1.147 54.194 53.050 -0.004 0.000 0.872 490 N CB -0.361 38.118 38.487 -0.012 0.000 0.973 490 N HN 0.353 nan 8.380 nan 0.000 0.433 491 L N 1.782 123.013 121.223 0.013 0.000 1.970 491 L HA -0.112 4.229 4.340 0.002 0.000 0.212 491 L C 2.425 179.330 176.870 0.058 0.000 1.071 491 L CA 1.726 56.583 54.840 0.030 0.000 0.751 491 L CB -1.199 40.874 42.059 0.024 0.000 0.889 491 L HN 0.167 nan 8.230 nan 0.000 0.432 492 A N -0.502 122.360 122.820 0.070 0.000 1.903 492 A HA -0.290 4.031 4.320 0.002 0.000 0.219 492 A C 2.210 179.908 177.584 0.189 0.000 1.191 492 A CA 2.635 54.744 52.037 0.120 0.000 0.638 492 A CB -0.622 18.445 19.000 0.111 0.000 0.823 492 A HN 0.588 nan 8.150 nan 0.000 0.451 493 M N -0.682 119.005 119.600 0.145 0.000 2.175 493 M HA -0.147 4.335 4.480 0.002 0.000 0.264 493 M C 1.724 178.157 176.300 0.221 0.000 1.063 493 M CA 1.767 57.191 55.300 0.208 0.000 1.119 493 M CB -1.566 31.064 32.600 0.050 0.000 1.377 493 M HN 0.545 nan 8.290 nan 0.000 0.415 494 N N 0.375 119.136 118.700 0.102 0.000 2.166 494 N HA -0.102 4.640 4.740 0.002 0.000 0.186 494 N C 1.827 177.341 175.510 0.006 0.000 1.019 494 N CA 0.930 54.012 53.050 0.054 0.000 0.856 494 N CB -0.038 38.467 38.487 0.030 0.000 0.993 494 N HN 0.075 nan 8.380 nan 0.000 0.426 495 V N 0.668 120.580 119.914 -0.004 0.000 2.244 495 V HA -0.141 3.980 4.120 0.002 0.000 0.244 495 V C 2.506 178.391 176.094 -0.347 0.000 1.042 495 V CA 2.132 64.364 62.300 -0.114 0.000 1.006 495 V CB -1.324 30.472 31.823 -0.045 0.000 0.641 495 V HN 0.403 nan 8.190 nan 0.000 0.446 496 G N -0.179 108.413 108.800 -0.346 0.000 2.505 496 G HA2 -0.310 3.652 3.960 0.002 0.000 0.220 496 G HA3 -0.310 3.652 3.960 0.002 0.000 0.220 496 G C 1.664 175.955 174.900 -1.015 0.000 1.145 496 G CA 1.242 45.712 45.100 -1.050 0.000 0.761 496 G HN 0.492 nan 8.290 nan 0.000 0.571 497 K N 0.470 120.690 120.400 -0.301 0.000 2.057 497 K HA 0.037 4.358 4.320 0.002 0.000 0.207 497 K C 3.014 179.496 176.600 -0.197 0.000 1.049 497 K CA 0.977 57.213 56.287 -0.086 0.000 0.931 497 K CB -0.246 32.325 32.500 0.117 0.000 0.714 497 K HN 0.291 nan 8.250 nan 0.000 0.440 498 A N 1.690 124.376 122.820 -0.224 0.000 1.845 498 A HA -0.161 4.160 4.320 0.002 0.000 0.215 498 A C 2.048 179.460 177.584 -0.285 0.000 1.195 498 A CA 1.320 53.236 52.037 -0.201 0.000 0.616 498 A CB -0.380 18.523 19.000 -0.162 0.000 0.832 498 A HN 0.106 nan 8.150 nan 0.000 0.443 499 R N -1.186 119.011 120.500 -0.505 0.000 2.193 499 R HA -0.059 4.282 4.340 0.002 0.000 0.229 499 R C 1.519 177.491 176.300 -0.547 0.000 1.110 499 R CA 0.998 56.698 56.100 -0.666 0.000 0.988 499 R CB -1.044 28.502 30.300 -1.255 0.000 0.871 499 R HN 1.106 nan 8.270 nan 0.000 0.458 500 G N -0.793 107.714 108.800 -0.487 0.000 2.144 500 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 500 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 500 G C 0.603 175.465 174.900 -0.063 0.000 0.988 500 G CA 0.067 45.044 45.100 -0.205 0.000 0.659 500 G HN 0.201 nan 8.290 nan 0.000 0.522 501 F N 0.267 119.961 119.950 -0.427 0.000 2.186 501 F HA 0.315 4.843 4.527 0.002 0.000 0.299 501 F C 1.396 177.002 175.800 -0.323 0.000 1.090 501 F CA 0.822 58.546 58.000 -0.461 0.000 1.307 501 F CB -0.671 37.861 39.000 -0.781 0.000 1.019 501 F HN 0.396 nan 8.300 nan 0.000 0.489 502 F N -2.349 117.692 119.950 0.152 0.000 2.668 502 F HA 0.606 5.135 4.527 0.002 0.000 0.309 502 F C -0.405 175.411 175.800 0.027 0.000 1.117 502 F CA -2.348 55.695 58.000 0.073 0.000 0.951 502 F CB 0.940 39.978 39.000 0.064 0.000 1.323 502 F HN -0.365 nan 8.300 nan 0.000 0.451 503 K N 0.857 121.451 120.400 0.324 0.000 2.651 503 K HA 0.446 4.767 4.320 0.002 0.000 0.283 503 K C 0.703 177.390 176.600 0.144 0.000 1.018 503 K CA -0.649 55.747 56.287 0.182 0.000 1.127 503 K CB 1.495 34.060 32.500 0.109 0.000 1.501 503 K HN 0.830 nan 8.250 nan 0.000 0.608 504 K N -0.469 119.975 120.400 0.073 0.000 2.020 504 K HA 0.016 4.337 4.320 0.002 0.000 0.206 504 K C 1.884 178.486 176.600 0.003 0.000 1.038 504 K CA 1.392 57.697 56.287 0.031 0.000 0.947 504 K CB -0.638 31.875 32.500 0.022 0.000 0.744 504 K HN 0.723 nan 8.250 nan 0.000 0.442 505 G N 1.908 110.715 108.800 0.012 0.000 2.499 505 G HA2 -0.200 3.761 3.960 0.002 0.000 0.221 505 G HA3 -0.200 3.761 3.960 0.002 0.000 0.221 505 G C 0.270 175.164 174.900 -0.009 0.000 1.109 505 G CA 0.778 45.879 45.100 0.001 0.000 0.749 505 G HN 0.380 nan 8.290 nan 0.000 0.568 506 D N -0.428 119.971 120.400 -0.001 0.000 2.352 506 D HA 0.233 4.874 4.640 0.002 0.000 0.238 506 D C 0.013 176.274 176.300 -0.065 0.000 1.286 506 D CA 0.134 54.129 54.000 -0.010 0.000 0.923 506 D CB 1.558 42.384 40.800 0.043 0.000 1.146 506 D HN -0.079 nan 8.370 nan 0.000 0.471 507 V N 0.581 120.460 119.914 -0.059 0.000 2.815 507 V HA 0.451 4.573 4.120 0.002 0.000 0.314 507 V C 0.101 176.132 176.094 -0.104 0.000 1.064 507 V CA -0.640 61.613 62.300 -0.079 0.000 0.952 507 V CB 2.287 34.085 31.823 -0.042 0.000 1.020 507 V HN 0.268 nan 8.190 nan 0.000 0.439 508 V N 4.121 123.964 119.914 -0.120 0.000 2.808 508 V HA 0.472 4.593 4.120 0.002 0.000 0.308 508 V C -1.094 174.960 176.094 -0.066 0.000 1.099 508 V CA -0.559 61.672 62.300 -0.115 0.000 0.920 508 V CB 2.128 33.813 31.823 -0.229 0.000 1.014 508 V HN 0.650 nan 8.190 nan 0.000 0.425 509 I N 4.883 125.433 120.570 -0.035 0.000 2.312 509 I HA 0.337 4.508 4.170 0.002 0.000 0.291 509 I C 0.046 176.159 176.117 -0.007 0.000 1.031 509 I CA 0.013 61.300 61.300 -0.021 0.000 1.293 509 I CB 1.433 39.422 38.000 -0.018 0.000 1.403 509 I HN 0.269 nan 8.210 nan 0.000 0.484 510 V N 8.061 127.972 119.914 -0.005 0.000 2.370 510 V HA 0.412 4.533 4.120 0.002 0.000 0.279 510 V C -0.035 176.076 176.094 0.028 0.000 1.029 510 V CA -0.664 61.641 62.300 0.008 0.000 0.870 510 V CB 1.348 33.169 31.823 -0.003 0.000 0.984 510 V HN 0.389 nan 8.190 nan 0.000 0.451 511 L N 5.043 126.290 121.223 0.039 0.000 2.305 511 L HA 0.747 5.089 4.340 0.002 0.000 0.284 511 L C 0.144 177.055 176.870 0.068 0.000 1.013 511 L CA 0.229 55.104 54.840 0.058 0.000 0.819 511 L CB 1.979 44.077 42.059 0.065 0.000 1.227 511 L HN 0.821 nan 8.230 nan 0.000 0.417 512 T N 1.308 115.916 114.554 0.090 0.000 2.883 512 T HA 0.696 5.047 4.350 0.002 0.000 0.301 512 T C -0.099 174.699 174.700 0.164 0.000 1.158 512 T CA -0.420 61.755 62.100 0.124 0.000 1.007 512 T CB 1.648 70.588 68.868 0.120 0.000 1.186 512 T HN 0.606 nan 8.240 nan 0.000 0.499 513 G N 1.509 110.453 108.800 0.240 0.000 2.467 513 G HA2 0.312 4.273 3.960 0.002 0.000 0.257 513 G HA3 0.312 4.273 3.960 0.002 0.000 0.257 513 G C 0.733 175.802 174.900 0.281 0.000 1.227 513 G CA -0.660 44.546 45.100 0.177 0.000 0.835 513 G HN 0.887 nan 8.290 nan 0.000 0.556 514 W N 2.413 123.669 121.300 -0.074 0.000 2.355 514 W HA -0.012 4.650 4.660 0.002 0.000 0.309 514 W C 0.299 176.741 176.519 -0.128 0.000 1.206 514 W CA 0.736 58.044 57.345 -0.061 0.000 1.284 514 W CB 0.251 29.634 29.460 -0.128 0.000 1.145 514 W HN 0.373 nan 8.180 nan 0.000 0.502 515 R N -0.736 119.449 120.500 -0.526 0.000 2.739 515 R HA 0.283 4.624 4.340 0.002 0.000 0.271 515 R C -2.583 172.761 176.300 -1.594 0.000 1.010 515 R CA -2.089 53.295 56.100 -1.193 0.000 0.897 515 R CB 0.583 30.434 30.300 -0.749 0.000 1.236 515 R HN -0.271 nan 8.270 nan 0.000 0.466 516 P HA -0.073 nan 4.420 nan 0.000 0.266 516 P C 0.613 177.501 177.300 -0.686 0.000 1.186 516 P CA 0.818 62.952 63.100 -1.610 0.000 0.767 516 P CB 0.231 31.550 31.700 -0.635 0.000 0.820 517 G N 1.788 110.358 108.800 -0.384 0.000 2.249 517 G HA2 -0.322 3.639 3.960 0.002 0.000 0.273 517 G HA3 -0.322 3.639 3.960 0.002 0.000 0.273 517 G C 1.267 176.053 174.900 -0.190 0.000 1.036 517 G CA 0.494 45.480 45.100 -0.190 0.000 0.824 517 G HN 0.507 nan 8.290 nan 0.000 0.504 518 S N -1.230 114.319 115.700 -0.252 0.000 2.383 518 S HA 0.264 4.735 4.470 0.002 0.000 0.227 518 S C 2.441 176.957 174.600 -0.140 0.000 1.026 518 S CA 2.363 60.432 58.200 -0.218 0.000 0.981 518 S CB -0.183 62.863 63.200 -0.256 0.000 0.818 518 S HN 2.241 nan 8.310 nan 0.000 0.472 519 G N 0.076 108.846 108.800 -0.049 0.000 2.436 519 G HA2 -0.148 3.813 3.960 0.002 0.000 0.204 519 G HA3 -0.148 3.813 3.960 0.002 0.000 0.204 519 G C 0.077 175.128 174.900 0.252 0.000 1.026 519 G CA 0.039 45.201 45.100 0.104 0.000 0.658 519 G HN 0.811 nan 8.290 nan 0.000 0.499 520 F N -0.802 119.162 119.950 0.023 0.000 2.985 520 F HA 0.711 5.239 4.527 0.002 0.000 0.322 520 F C -0.318 175.515 175.800 0.055 0.000 1.187 520 F CA -0.579 57.438 58.000 0.030 0.000 0.910 520 F CB 0.524 39.535 39.000 0.018 0.000 1.411 520 F HN 0.139 nan 8.300 nan 0.000 0.492 521 T N 1.767 116.421 114.554 0.167 0.000 2.863 521 T HA 0.211 4.562 4.350 0.002 0.000 0.299 521 T C 0.187 174.888 174.700 0.001 0.000 0.973 521 T CA -0.449 61.686 62.100 0.060 0.000 0.994 521 T CB -0.464 68.487 68.868 0.137 0.000 0.961 521 T HN 0.664 nan 8.240 nan 0.000 0.552 522 N N 0.786 119.320 118.700 -0.277 0.000 2.235 522 N HA 0.061 4.802 4.740 0.002 0.000 0.209 522 N C -0.496 174.989 175.510 -0.042 0.000 1.122 522 N CA -0.597 52.322 53.050 -0.218 0.000 0.845 522 N CB 0.402 38.608 38.487 -0.469 0.000 1.004 522 N HN 0.391 nan 8.380 nan 0.000 0.499 523 T N 1.032 115.607 114.554 0.034 0.000 2.890 523 T HA 0.346 4.697 4.350 0.002 0.000 0.295 523 T C -0.785 173.959 174.700 0.073 0.000 0.993 523 T CA -0.656 61.490 62.100 0.077 0.000 0.979 523 T CB 1.689 70.670 68.868 0.189 0.000 0.967 523 T HN 0.160 nan 8.240 nan 0.000 0.441 524 M N 4.067 123.696 119.600 0.048 0.000 2.456 524 M HA 0.633 5.114 4.480 0.002 0.000 0.324 524 M C -1.444 174.873 176.300 0.028 0.000 1.124 524 M CA -0.523 54.799 55.300 0.038 0.000 0.959 524 M CB 1.642 34.257 32.600 0.025 0.000 1.692 524 M HN 0.579 nan 8.290 nan 0.000 0.444 525 R N 2.431 122.944 120.500 0.021 0.000 2.808 525 R HA 0.689 5.030 4.340 0.002 0.000 0.272 525 R C -1.495 174.802 176.300 -0.006 0.000 0.995 525 R CA -1.021 55.086 56.100 0.012 0.000 0.917 525 R CB 2.503 32.815 30.300 0.020 0.000 1.217 525 R HN 0.558 nan 8.270 nan 0.000 0.471 526 V N 2.527 122.434 119.914 -0.011 0.000 2.250 526 V HA 0.232 4.353 4.120 0.002 0.000 0.268 526 V C -0.273 175.803 176.094 -0.029 0.000 1.043 526 V CA -0.674 61.613 62.300 -0.023 0.000 0.814 526 V CB 1.141 32.950 31.823 -0.022 0.000 1.072 526 V HN 0.420 nan 8.190 nan 0.000 0.451 527 V N 6.805 126.694 119.914 -0.042 0.000 2.481 527 V HA 0.503 4.624 4.120 0.002 0.000 0.286 527 V C -2.028 174.017 176.094 -0.081 0.000 1.042 527 V CA -1.750 60.517 62.300 -0.055 0.000 0.928 527 V CB 1.937 33.724 31.823 -0.060 0.000 0.986 527 V HN 0.570 nan 8.190 nan 0.000 0.462 528 P HA 0.377 nan 4.420 nan 0.000 0.280 528 P C -0.836 176.389 177.300 -0.124 0.000 1.272 528 P CA -0.576 62.470 63.100 -0.089 0.000 0.819 528 P CB 1.080 32.746 31.700 -0.056 0.000 1.122 529 V N 2.971 122.797 119.914 -0.147 0.000 2.488 529 V HA 0.194 4.315 4.120 0.002 0.000 0.277 529 V C -1.688 174.356 176.094 -0.082 0.000 1.046 529 V CA -1.318 60.878 62.300 -0.173 0.000 0.986 529 V CB 0.225 31.907 31.823 -0.235 0.000 0.989 529 V HN 0.593 nan 8.190 nan 0.000 0.475 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 530 P CB 0.000 31.683 31.700 -0.029 0.000 0.726