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 3cb4_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKNIRNFSII AHIXXXXSTL SDRIIQICGG XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXQSVT LDYKASDGET YQLNFIDTPG HVDFSYEVSR SLAACEGALL DATA SEQUENCE VVDAGQGVEA QTLANCYTAM EMDLEVVPVL NKIDLPAADP ERVAEEIEDI DATA SEQUENCE VGIDATDAVR CSAKTGVGVQ DVLERLVRDI PPPEGDPEGP LQALIIDSWF DATA SEQUENCE DNYLGVVSLI RIKNGTLRKG DKVKVMSTGQ TYNADRLGIF TPKQVDRTEL DATA SEQUENCE KCGEVGWLVC AIKDIHGAPV GDTLTLARNP AEKALPGFKK VKPQVYAGLF DATA SEQUENCE PVSSDDYEAF RDALGKLSLN DASLFYEPES SSALGFGFRC GFLGLLHMEI DATA SEQUENCE IQERLEREYD LDLITTAPTV VYEVETTSRE VIYVDSPSKL PAVNNIYELR DATA SEQUENCE EPIAECHMLL PQAYLGNVIT LCVEKRGVQT NMVYHGNQVA LTYEIPMAEV DATA SEQUENCE VLDFFDRLKS TSRGYASLDY NFKRFQASDM VRVDVLINGE RVDALALITH DATA SEQUENCE RDNSQNRGRE LVEKMKDLIP RQQFDIAIQA AIGTHIIARS TVKQLRKNVL DATA SEQUENCE AKCYG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 K N 1.226 121.658 120.400 0.053 0.000 2.281 2 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 2 K C 0.773 177.456 176.600 0.138 0.000 1.046 2 K CA 1.420 57.754 56.287 0.078 0.000 0.938 2 K CB -0.055 32.477 32.500 0.054 0.000 0.737 2 K HN 0.218 nan 8.250 nan 0.000 0.458 3 N N -0.310 118.451 118.700 0.102 0.000 2.205 3 N HA 0.162 4.902 4.740 -0.000 0.000 0.201 3 N C -0.473 175.199 175.510 0.270 0.000 1.128 3 N CA 0.105 53.241 53.050 0.144 0.000 0.867 3 N CB 0.522 38.894 38.487 -0.192 0.000 0.996 3 N HN 0.039 nan 8.380 nan 0.000 0.503 4 I N 0.997 121.682 120.570 0.192 0.000 2.440 4 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 4 I C 0.138 176.375 176.117 0.200 0.000 0.995 4 I CA -0.535 60.876 61.300 0.184 0.000 1.306 4 I CB 0.850 38.921 38.000 0.119 0.000 1.407 4 I HN -0.241 nan 8.210 nan 0.000 0.501 5 R N 4.672 125.307 120.500 0.224 0.000 2.468 5 R HA 0.358 4.698 4.340 -0.000 0.000 0.302 5 R C -1.343 175.158 176.300 0.334 0.000 1.041 5 R CA -0.837 55.400 56.100 0.228 0.000 0.899 5 R CB 1.018 31.421 30.300 0.172 0.000 1.167 5 R HN 0.517 nan 8.270 nan 0.000 0.483 6 N N 3.942 122.801 118.700 0.264 0.000 2.426 6 N HA 0.474 5.214 4.740 -0.000 0.000 0.275 6 N C -0.335 175.376 175.510 0.334 0.000 1.019 6 N CA -0.096 53.096 53.050 0.237 0.000 0.941 6 N CB 1.087 39.651 38.487 0.128 0.000 1.123 6 N HN 0.394 nan 8.380 nan 0.000 0.486 7 F N -1.644 118.368 119.950 0.104 0.000 2.713 7 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 7 F C -0.741 175.135 175.800 0.127 0.000 1.141 7 F CA -1.197 56.851 58.000 0.080 0.000 0.939 7 F CB 0.738 39.759 39.000 0.035 0.000 1.325 7 F HN 0.307 nan 8.300 nan 0.000 0.453 8 S N 0.731 116.517 115.700 0.144 0.000 2.634 8 S HA 0.840 5.310 4.470 -0.000 0.000 0.296 8 S C -1.191 173.482 174.600 0.121 0.000 1.104 8 S CA -0.844 57.394 58.200 0.064 0.000 0.920 8 S CB 2.097 65.329 63.200 0.053 0.000 1.111 8 S HN 0.740 nan 8.310 nan 0.000 0.493 9 I N 1.447 122.051 120.570 0.057 0.000 2.355 9 I HA 0.374 4.544 4.170 -0.000 0.000 0.288 9 I C -0.946 175.181 176.117 0.017 0.000 0.999 9 I CA -0.616 60.696 61.300 0.020 0.000 1.163 9 I CB 1.038 38.991 38.000 -0.078 0.000 1.316 9 I HN 0.529 nan 8.210 nan 0.000 0.454 10 I N 6.676 127.252 120.570 0.010 0.000 2.297 10 I HA 0.636 4.806 4.170 -0.000 0.000 0.291 10 I C 0.286 176.401 176.117 -0.004 0.000 1.033 10 I CA 0.052 61.351 61.300 -0.001 0.000 1.253 10 I CB 0.889 38.877 38.000 -0.020 0.000 1.396 10 I HN 0.639 nan 8.210 nan 0.000 0.476 11 A N 5.389 128.216 122.820 0.012 0.000 2.602 11 A HA 0.504 4.824 4.320 -0.000 0.000 0.290 11 A C -0.494 177.139 177.584 0.081 0.000 1.114 11 A CA -0.496 51.558 52.037 0.029 0.000 0.683 11 A CB 1.651 20.654 19.000 0.005 0.000 1.281 11 A HN 0.755 nan 8.150 nan 0.000 0.416 12 H N 0.236 119.294 119.070 -0.020 0.000 2.570 12 H HA 0.456 5.012 4.556 -0.000 0.000 0.268 12 H C 0.208 175.532 175.328 -0.007 0.000 1.175 12 H CA 0.586 56.628 56.048 -0.011 0.000 1.686 12 H CB 0.287 30.042 29.762 -0.012 0.000 1.456 12 H HN 0.571 nan 8.280 nan 0.000 0.592 19 T N 0.659 115.201 114.554 -0.020 0.000 2.813 19 T HA 0.402 4.752 4.350 -0.000 0.000 0.297 19 T C 1.402 176.085 174.700 -0.028 0.000 1.036 19 T CA -0.638 61.447 62.100 -0.025 0.000 1.044 19 T CB 0.402 69.255 68.868 -0.025 0.000 0.993 19 T HN 0.296 nan 8.240 nan 0.000 0.535 20 L N 1.293 122.490 121.223 -0.045 0.000 2.079 20 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 20 L C 2.870 179.691 176.870 -0.082 0.000 1.081 20 L CA 2.212 57.013 54.840 -0.065 0.000 0.752 20 L CB -1.221 40.787 42.059 -0.084 0.000 0.896 20 L HN 0.959 nan 8.230 nan 0.000 0.433 21 S N -0.670 114.975 115.700 -0.092 0.000 2.381 21 S HA -0.285 4.185 4.470 -0.000 0.000 0.230 21 S C 1.753 176.387 174.600 0.058 0.000 1.052 21 S CA 2.041 60.202 58.200 -0.066 0.000 1.068 21 S CB -0.476 62.764 63.200 0.065 0.000 0.918 21 S HN 0.621 nan 8.310 nan 0.000 0.448 22 D N 0.523 120.947 120.400 0.040 0.000 2.084 22 D HA -0.024 4.616 4.640 -0.000 0.000 0.194 22 D C 2.329 178.650 176.300 0.036 0.000 0.990 22 D CA 1.164 55.190 54.000 0.044 0.000 0.826 22 D CB -0.399 40.413 40.800 0.019 0.000 0.971 22 D HN 0.387 nan 8.370 nan 0.000 0.453 23 R N 0.167 120.673 120.500 0.010 0.000 2.120 23 R HA -0.000 4.340 4.340 -0.000 0.000 0.234 23 R C 2.438 178.744 176.300 0.011 0.000 1.123 23 R CA 0.546 56.649 56.100 0.005 0.000 0.975 23 R CB -0.347 29.945 30.300 -0.012 0.000 0.866 23 R HN 0.258 nan 8.270 nan 0.000 0.446 24 I N 0.291 120.863 120.570 0.003 0.000 2.163 24 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 24 I C 2.028 178.195 176.117 0.082 0.000 1.085 24 I CA 1.457 62.767 61.300 0.016 0.000 1.347 24 I CB -0.315 37.680 38.000 -0.009 0.000 1.044 24 I HN 0.115 nan 8.210 nan 0.000 0.408 25 I N 0.285 120.926 120.570 0.118 0.000 2.208 25 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 25 I C 2.631 178.802 176.117 0.090 0.000 1.097 25 I CA 1.546 62.922 61.300 0.126 0.000 1.363 25 I CB -0.508 37.566 38.000 0.123 0.000 1.051 25 I HN 0.329 nan 8.210 nan 0.000 0.413 26 Q N 0.620 120.459 119.800 0.066 0.000 2.096 26 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 26 Q C 2.318 178.355 176.000 0.062 0.000 0.982 26 Q CA 1.934 57.770 55.803 0.053 0.000 0.850 26 Q CB -0.275 28.485 28.738 0.037 0.000 0.901 26 Q HN 0.718 nan 8.270 nan 0.000 0.422 27 I N -3.017 117.592 120.570 0.065 0.000 3.428 27 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 27 I C 1.184 177.380 176.117 0.132 0.000 1.287 27 I CA 0.116 61.466 61.300 0.083 0.000 1.396 27 I CB 0.011 38.048 38.000 0.063 0.000 1.062 27 I HN 0.090 nan 8.210 nan 0.000 0.471 28 C N 1.017 120.396 119.300 0.132 0.000 2.547 28 C HA 0.539 4.999 4.460 -0.000 0.000 0.069 28 C C 2.713 177.777 174.990 0.124 0.000 2.301 28 C CA 0.415 59.533 59.018 0.166 0.000 1.723 28 C CB -0.390 27.464 27.740 0.190 0.000 2.679 28 C HN 0.501 nan 8.230 nan 0.000 0.342 29 G N -0.040 108.831 108.800 0.120 0.000 2.806 29 G HA2 0.346 4.306 3.960 -0.000 0.000 0.214 29 G HA3 0.346 4.306 3.960 -0.000 0.000 0.214 29 G C 0.489 175.434 174.900 0.074 0.000 1.331 29 G CA 1.701 46.857 45.100 0.093 0.000 0.807 29 G HN 1.352 nan 8.290 nan 0.000 0.644 58 S N -0.015 115.429 115.700 -0.427 0.000 2.569 58 S HA 0.827 5.297 4.470 -0.000 0.000 0.280 58 S C -0.980 173.374 174.600 -0.410 0.000 1.111 58 S CA -0.398 57.538 58.200 -0.442 0.000 0.887 58 S CB 2.440 65.510 63.200 -0.217 0.000 1.095 58 S HN 0.111 nan 8.310 nan 0.000 0.476 59 V N 1.739 121.287 119.914 -0.610 0.000 2.808 59 V HA 0.619 4.739 4.120 -0.000 0.000 0.308 59 V C -0.546 175.430 176.094 -0.198 0.000 1.099 59 V CA -0.635 61.447 62.300 -0.364 0.000 0.920 59 V CB 2.189 33.749 31.823 -0.439 0.000 1.014 59 V HN 1.023 nan 8.190 nan 0.000 0.425 60 T N 5.818 120.370 114.554 -0.004 0.000 2.770 60 T HA 0.786 5.136 4.350 -0.000 0.000 0.283 60 T C -0.495 174.263 174.700 0.097 0.000 0.988 60 T CA -0.242 61.890 62.100 0.054 0.000 0.957 60 T CB 0.802 69.707 68.868 0.061 0.000 0.930 60 T HN 0.398 nan 8.240 nan 0.000 0.443 61 L N 2.101 123.410 121.223 0.144 0.000 2.309 61 L HA 0.669 5.009 4.340 -0.000 0.000 0.261 61 L C -0.761 176.219 176.870 0.182 0.000 1.021 61 L CA -1.238 53.702 54.840 0.167 0.000 0.823 61 L CB 1.985 44.169 42.059 0.208 0.000 1.366 61 L HN 0.412 nan 8.230 nan 0.000 0.423 62 D N 0.418 120.923 120.400 0.175 0.000 2.408 62 D HA 0.323 4.963 4.640 -0.000 0.000 0.243 62 D C -1.573 174.873 176.300 0.243 0.000 1.075 62 D CA -0.027 54.080 54.000 0.178 0.000 0.832 62 D CB 1.911 42.774 40.800 0.105 0.000 1.162 62 D HN 0.252 nan 8.370 nan 0.000 0.515 63 Y N 1.736 122.122 120.300 0.144 0.000 2.326 63 Y HA 0.302 4.852 4.550 -0.000 0.000 0.331 63 Y C -0.357 175.644 175.900 0.169 0.000 0.962 63 Y CA -0.878 57.308 58.100 0.143 0.000 1.167 63 Y CB 0.997 39.543 38.460 0.142 0.000 1.148 63 Y HN 0.053 nan 8.280 nan 0.000 0.463 64 K N 5.051 125.182 120.400 -0.450 0.000 2.383 64 K HA 0.538 4.858 4.320 -0.000 0.000 0.286 64 K C -0.157 175.906 176.600 -0.896 0.000 1.051 64 K CA -0.006 56.010 56.287 -0.451 0.000 0.974 64 K CB 0.507 32.852 32.500 -0.259 0.000 0.968 64 K HN 0.762 nan 8.250 nan 0.000 0.475 65 A N 1.725 124.303 122.820 -0.404 0.000 2.246 65 A HA 0.158 4.478 4.320 -0.000 0.000 0.291 65 A C 1.211 178.754 177.584 -0.068 0.000 1.103 65 A CA -0.173 51.749 52.037 -0.191 0.000 0.844 65 A CB 0.562 19.693 19.000 0.219 0.000 1.136 65 A HN 0.810 nan 8.150 nan 0.000 0.500 66 S N -0.348 115.368 115.700 0.026 0.000 2.469 66 S HA -0.163 4.306 4.470 -0.000 0.000 0.238 66 S C 0.922 175.538 174.600 0.027 0.000 0.998 66 S CA 1.519 59.734 58.200 0.025 0.000 0.957 66 S CB -0.512 62.715 63.200 0.044 0.000 0.764 66 S HN 0.810 nan 8.310 nan 0.000 0.514 67 D N 0.673 121.107 120.400 0.055 0.000 2.363 67 D HA 0.191 4.831 4.640 -0.000 0.000 0.220 67 D C 1.452 177.770 176.300 0.030 0.000 0.994 67 D CA 0.713 54.747 54.000 0.056 0.000 0.890 67 D CB -0.882 39.978 40.800 0.099 0.000 0.906 67 D HN 0.642 nan 8.370 nan 0.000 0.530 68 G N -0.194 108.611 108.800 0.007 0.000 2.157 68 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 68 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 68 G C -0.061 174.809 174.900 -0.051 0.000 0.982 68 G CA 0.157 45.240 45.100 -0.027 0.000 0.650 68 G HN 0.533 nan 8.290 nan 0.000 0.527 69 E N -0.062 120.111 120.200 -0.046 0.000 2.222 69 E HA 0.659 5.009 4.350 -0.000 0.000 0.267 69 E C -0.302 176.156 176.600 -0.237 0.000 0.963 69 E CA -0.426 55.877 56.400 -0.162 0.000 0.837 69 E CB 1.130 30.690 29.700 -0.234 0.000 1.183 69 E HN 0.065 nan 8.360 nan 0.000 0.403 70 T N 2.439 116.806 114.554 -0.312 0.000 2.749 70 T HA 0.326 4.676 4.350 -0.000 0.000 0.287 70 T C -1.255 173.251 174.700 -0.322 0.000 0.970 70 T CA -0.234 61.738 62.100 -0.213 0.000 0.980 70 T CB 0.070 68.871 68.868 -0.110 0.000 0.924 70 T HN 0.245 nan 8.240 nan 0.000 0.456 71 Y N 1.982 122.322 120.300 0.066 0.000 2.335 71 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 71 Y C 0.701 176.686 175.900 0.140 0.000 0.977 71 Y CA -0.917 57.252 58.100 0.115 0.000 1.114 71 Y CB 1.344 39.904 38.460 0.165 0.000 1.182 71 Y HN 0.494 nan 8.280 nan 0.000 0.463 72 Q N 4.737 124.678 119.800 0.234 0.000 2.324 72 Q HA 0.291 4.631 4.340 -0.000 0.000 0.257 72 Q C -1.322 174.826 176.000 0.246 0.000 1.080 72 Q CA -0.202 55.717 55.803 0.194 0.000 0.907 72 Q CB 0.317 29.128 28.738 0.121 0.000 1.274 72 Q HN 0.693 nan 8.270 nan 0.000 0.434 73 L N 4.685 126.073 121.223 0.276 0.000 2.257 73 L HA 0.393 4.733 4.340 -0.000 0.000 0.290 73 L C -0.132 176.896 176.870 0.264 0.000 1.044 73 L CA -0.484 54.564 54.840 0.347 0.000 0.810 73 L CB 0.748 43.064 42.059 0.428 0.000 1.193 73 L HN 0.533 nan 8.230 nan 0.000 0.425 74 N N 5.012 123.837 118.700 0.208 0.000 2.476 74 N HA 0.385 5.125 4.740 -0.000 0.000 0.257 74 N C -1.049 174.410 175.510 -0.085 0.000 0.970 74 N CA -0.267 52.817 53.050 0.057 0.000 0.938 74 N CB 2.049 40.569 38.487 0.054 0.000 1.144 74 N HN 0.411 nan 8.380 nan 0.000 0.500 75 F N 1.231 120.971 119.950 -0.351 0.000 2.532 75 F HA 0.729 5.256 4.527 -0.000 0.000 0.321 75 F C -1.130 174.465 175.800 -0.341 0.000 1.089 75 F CA -1.045 56.551 58.000 -0.673 0.000 0.926 75 F CB 0.920 39.093 39.000 -1.378 0.000 1.168 75 F HN 0.103 nan 8.300 nan 0.000 0.459 76 I N 2.985 123.488 120.570 -0.111 0.000 2.441 76 I HA 0.246 4.416 4.170 -0.000 0.000 0.295 76 I C -0.513 175.646 176.117 0.070 0.000 0.994 76 I CA -0.468 60.774 61.300 -0.096 0.000 1.144 76 I CB 1.391 39.360 38.000 -0.053 0.000 1.314 76 I HN 0.592 nan 8.210 nan 0.000 0.445 77 D N 3.974 124.375 120.400 0.001 0.000 2.312 77 D HA 0.167 4.807 4.640 -0.000 0.000 0.252 77 D C -0.734 175.569 176.300 0.005 0.000 1.150 77 D CA 0.001 54.035 54.000 0.057 0.000 0.870 77 D CB 1.015 41.820 40.800 0.007 0.000 1.153 77 D HN 0.435 nan 8.370 nan 0.000 0.457 78 T N 6.080 120.649 114.554 0.024 0.000 2.738 78 T HA 0.326 4.676 4.350 -0.000 0.000 0.298 78 T C -2.039 172.669 174.700 0.013 0.000 0.962 78 T CA -1.254 60.854 62.100 0.013 0.000 0.972 78 T CB 1.305 70.187 68.868 0.022 0.000 0.928 78 T HN 0.305 nan 8.240 nan 0.000 0.474 79 P HA 0.187 nan 4.420 nan 0.000 0.268 79 P C 0.497 177.860 177.300 0.105 0.000 1.205 79 P CA -0.236 62.883 63.100 0.032 0.000 0.771 79 P CB 0.597 32.282 31.700 -0.026 0.000 0.858 80 G N 0.927 109.806 108.800 0.131 0.000 3.882 80 G HA2 0.213 4.173 3.960 -0.000 0.000 0.283 80 G HA3 0.213 4.173 3.960 -0.000 0.000 0.283 80 G C -0.227 174.770 174.900 0.161 0.000 1.283 80 G CA 0.105 45.277 45.100 0.119 0.000 1.402 80 G HN 0.628 nan 8.290 nan 0.000 0.618 81 H N -1.324 117.820 119.070 0.123 0.000 3.008 81 H HA 0.364 4.920 4.556 -0.000 0.000 0.354 81 H C 0.648 175.945 175.328 -0.052 0.000 1.252 81 H CA -0.671 55.388 56.048 0.018 0.000 1.117 81 H CB 2.313 32.056 29.762 -0.032 0.000 1.857 81 H HN 0.042 nan 8.280 nan 0.000 0.547 82 V N -1.049 118.814 119.914 -0.085 0.000 3.647 82 V HA 0.142 4.262 4.120 -0.000 0.000 0.279 82 V C 0.935 176.939 176.094 -0.151 0.000 1.314 82 V CA 0.619 62.855 62.300 -0.107 0.000 1.125 82 V CB 0.263 31.959 31.823 -0.212 0.000 0.907 82 V HN 0.606 nan 8.190 nan 0.000 0.434 83 D N 2.031 122.285 120.400 -0.243 0.000 2.144 83 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 83 D C 1.036 177.031 176.300 -0.509 0.000 0.978 83 D CA 1.574 55.252 54.000 -0.537 0.000 0.833 83 D CB -0.241 40.011 40.800 -0.913 0.000 0.961 83 D HN 0.673 nan 8.370 nan 0.000 0.470 84 F N -0.120 119.832 119.950 0.004 0.000 2.898 84 F HA 0.293 4.820 4.527 -0.000 0.000 0.290 84 F C 1.979 177.795 175.800 0.027 0.000 1.195 84 F CA -0.437 57.564 58.000 0.001 0.000 1.387 84 F CB -0.016 38.984 39.000 0.000 0.000 0.976 84 F HN -0.229 nan 8.300 nan 0.000 0.510 85 S N 0.644 116.400 115.700 0.094 0.000 2.365 85 S HA -0.312 4.158 4.470 -0.000 0.000 0.225 85 S C 2.167 176.842 174.600 0.124 0.000 1.039 85 S CA 1.804 60.053 58.200 0.082 0.000 1.033 85 S CB -0.395 62.830 63.200 0.042 0.000 0.887 85 S HN 0.607 nan 8.310 nan 0.000 0.447 86 Y N 2.005 122.321 120.300 0.028 0.000 2.114 86 Y HA -0.095 4.455 4.550 -0.000 0.000 0.284 86 Y C 2.241 178.167 175.900 0.044 0.000 1.143 86 Y CA 2.264 60.376 58.100 0.020 0.000 1.135 86 Y CB -0.765 37.688 38.460 -0.011 0.000 0.980 86 Y HN 0.384 nan 8.280 nan 0.000 0.499 87 E N -0.602 119.608 120.200 0.016 0.000 2.097 87 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 87 E C 2.266 178.821 176.600 -0.076 0.000 1.000 87 E CA 1.841 58.203 56.400 -0.063 0.000 0.804 87 E CB -0.413 29.328 29.700 0.069 0.000 0.740 87 E HN 0.369 nan 8.360 nan 0.000 0.454 88 V N 1.567 121.484 119.914 0.005 0.000 2.255 88 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 88 V C 2.665 178.737 176.094 -0.037 0.000 1.051 88 V CA 2.141 64.444 62.300 0.005 0.000 1.018 88 V CB -0.769 31.082 31.823 0.048 0.000 0.641 88 V HN 0.404 nan 8.190 nan 0.000 0.445 89 S N 0.390 116.055 115.700 -0.058 0.000 2.383 89 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 89 S C 2.050 176.587 174.600 -0.106 0.000 1.030 89 S CA 1.141 59.304 58.200 -0.063 0.000 1.002 89 S CB -0.444 62.732 63.200 -0.041 0.000 0.829 89 S HN 0.469 nan 8.310 nan 0.000 0.467 90 R N 1.279 121.652 120.500 -0.212 0.000 2.115 90 R HA 0.194 4.534 4.340 -0.000 0.000 0.230 90 R C 2.623 178.875 176.300 -0.080 0.000 1.111 90 R CA 1.176 57.162 56.100 -0.190 0.000 0.976 90 R CB -1.571 28.535 30.300 -0.323 0.000 0.870 90 R HN 0.514 nan 8.270 nan 0.000 0.445 91 S N 1.176 116.839 115.700 -0.062 0.000 2.371 91 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 91 S C 2.049 176.646 174.600 -0.005 0.000 1.029 91 S CA 0.728 58.914 58.200 -0.023 0.000 0.978 91 S CB -0.075 63.113 63.200 -0.020 0.000 0.833 91 S HN 0.168 nan 8.310 nan 0.000 0.466 92 L N 1.165 122.385 121.223 -0.005 0.000 2.141 92 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 92 L C 2.591 179.472 176.870 0.019 0.000 1.094 92 L CA 0.983 55.832 54.840 0.014 0.000 0.763 92 L CB -0.562 41.506 42.059 0.014 0.000 0.908 92 L HN 0.288 nan 8.230 nan 0.000 0.437 93 A N -0.001 122.822 122.820 0.005 0.000 2.125 93 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 93 A C 2.228 179.827 177.584 0.024 0.000 1.156 93 A CA 1.520 53.565 52.037 0.014 0.000 0.671 93 A CB -0.480 18.522 19.000 0.003 0.000 0.794 93 A HN 0.394 nan 8.150 nan 0.000 0.459 94 A N -2.015 120.819 122.820 0.023 0.000 2.308 94 A HA 0.410 4.730 4.320 -0.000 0.000 0.217 94 A C 0.631 178.241 177.584 0.043 0.000 1.216 94 A CA 0.302 52.357 52.037 0.030 0.000 0.864 94 A CB -0.488 18.526 19.000 0.024 0.000 0.902 94 A HN 0.472 nan 8.150 nan 0.000 0.499 95 C N -2.039 117.291 119.300 0.051 0.000 2.595 95 C HA 0.641 5.101 4.460 -0.000 0.000 0.338 95 C C 1.098 176.134 174.990 0.078 0.000 1.219 95 C CA -0.373 58.691 59.018 0.077 0.000 1.811 95 C CB 1.699 29.493 27.740 0.090 0.000 2.313 95 C HN 0.580 nan 8.230 nan 0.000 0.499 96 E N -0.126 120.132 120.200 0.097 0.000 2.447 96 E HA 0.347 4.697 4.350 -0.000 0.000 0.204 96 E C 0.743 177.387 176.600 0.074 0.000 0.977 96 E CA 0.423 56.869 56.400 0.077 0.000 0.950 96 E CB 0.690 30.434 29.700 0.075 0.000 0.975 96 E HN 0.890 nan 8.360 nan 0.000 0.496 97 G N -0.773 108.089 108.800 0.104 0.000 2.663 97 G HA2 0.760 4.720 3.960 -0.000 0.000 0.299 97 G HA3 0.760 4.720 3.960 -0.000 0.000 0.299 97 G C -1.535 173.447 174.900 0.136 0.000 1.372 97 G CA -0.221 44.931 45.100 0.087 0.000 0.781 97 G HN 0.120 nan 8.290 nan 0.000 0.491 98 A N -0.871 122.008 122.820 0.098 0.000 2.594 98 A HA 0.771 5.091 4.320 -0.000 0.000 0.295 98 A C -1.278 176.341 177.584 0.059 0.000 1.071 98 A CA -0.576 51.537 52.037 0.127 0.000 0.685 98 A CB 1.188 20.237 19.000 0.081 0.000 1.285 98 A HN 0.821 nan 8.150 nan 0.000 0.405 99 L N 1.067 122.339 121.223 0.082 0.000 2.307 99 L HA 0.544 4.884 4.340 -0.000 0.000 0.282 99 L C -0.677 176.188 176.870 -0.010 0.000 1.051 99 L CA -0.726 54.111 54.840 -0.005 0.000 0.804 99 L CB 1.526 43.569 42.059 -0.026 0.000 1.197 99 L HN 0.633 nan 8.230 nan 0.000 0.431 100 L N 4.523 125.726 121.223 -0.034 0.000 2.335 100 L HA 0.345 4.685 4.340 -0.000 0.000 0.268 100 L C -0.442 176.404 176.870 -0.041 0.000 1.037 100 L CA -0.246 54.572 54.840 -0.037 0.000 0.895 100 L CB 1.125 43.157 42.059 -0.045 0.000 1.266 100 L HN 0.264 nan 8.230 nan 0.000 0.439 101 V N 5.423 125.316 119.914 -0.035 0.000 2.415 101 V HA 0.246 4.366 4.120 -0.000 0.000 0.267 101 V C 0.128 176.209 176.094 -0.021 0.000 1.042 101 V CA -0.259 62.021 62.300 -0.034 0.000 1.000 101 V CB 0.784 32.586 31.823 -0.035 0.000 1.015 101 V HN 0.416 nan 8.190 nan 0.000 0.478 102 V N 4.015 123.915 119.914 -0.024 0.000 2.487 102 V HA 0.343 4.463 4.120 -0.000 0.000 0.298 102 V C 0.034 176.123 176.094 -0.009 0.000 1.028 102 V CA -0.830 61.460 62.300 -0.016 0.000 0.860 102 V CB 1.936 33.743 31.823 -0.027 0.000 0.991 102 V HN 0.795 nan 8.190 nan 0.000 0.427 103 D N 3.126 123.528 120.400 0.004 0.000 2.450 103 D HA 0.183 4.823 4.640 -0.000 0.000 0.247 103 D C 0.978 177.280 176.300 0.003 0.000 1.162 103 D CA 0.494 54.499 54.000 0.008 0.000 0.879 103 D CB 2.024 42.839 40.800 0.025 0.000 1.163 103 D HN 0.691 nan 8.370 nan 0.000 0.472 104 A N 3.207 126.026 122.820 -0.000 0.000 2.119 104 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 104 A C 1.813 179.400 177.584 0.005 0.000 1.153 104 A CA 1.268 53.305 52.037 -0.001 0.000 0.692 104 A CB 0.033 19.031 19.000 -0.004 0.000 0.799 104 A HN 0.610 nan 8.150 nan 0.000 0.458 105 G N -2.225 106.581 108.800 0.010 0.000 2.887 105 G HA2 0.140 4.100 3.960 -0.000 0.000 0.211 105 G HA3 0.140 4.100 3.960 -0.000 0.000 0.211 105 G C 1.460 176.373 174.900 0.021 0.000 1.152 105 G CA 0.285 45.394 45.100 0.015 0.000 0.769 105 G HN 0.361 nan 8.290 nan 0.000 0.541 106 Q N -0.445 119.368 119.800 0.022 0.000 2.581 106 Q HA 0.325 4.665 4.340 -0.000 0.000 0.222 106 Q C 1.169 177.178 176.000 0.016 0.000 0.904 106 Q CA 1.033 56.852 55.803 0.027 0.000 0.923 106 Q CB 0.871 29.631 28.738 0.036 0.000 1.117 106 Q HN 0.463 nan 8.270 nan 0.000 0.618 107 G N 0.689 109.492 108.800 0.005 0.000 2.661 107 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 107 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 107 G C -0.621 174.263 174.900 -0.026 0.000 1.298 107 G CA -0.257 44.838 45.100 -0.008 0.000 0.855 107 G HN 0.197 nan 8.290 nan 0.000 0.560 108 V N 1.127 121.016 119.914 -0.042 0.000 3.185 108 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 108 V C 0.679 176.721 176.094 -0.086 0.000 1.090 108 V CA 1.014 63.272 62.300 -0.069 0.000 1.107 108 V CB 1.219 32.992 31.823 -0.083 0.000 1.061 108 V HN 1.104 nan 8.190 nan 0.000 0.480 109 E N 3.289 123.414 120.200 -0.125 0.000 2.408 109 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 109 E C 0.141 176.658 176.600 -0.139 0.000 0.935 109 E CA -0.321 55.991 56.400 -0.146 0.000 0.775 109 E CB 1.845 31.389 29.700 -0.260 0.000 1.277 109 E HN 0.561 nan 8.360 nan 0.000 0.455 110 A N 1.035 123.797 122.820 -0.097 0.000 2.067 110 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 110 A C 1.982 179.502 177.584 -0.107 0.000 1.158 110 A CA 1.562 53.557 52.037 -0.071 0.000 0.661 110 A CB -0.532 18.473 19.000 0.009 0.000 0.801 110 A HN 0.615 nan 8.150 nan 0.000 0.452 111 Q N -0.098 119.634 119.800 -0.113 0.000 2.311 111 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 111 Q C 1.505 177.442 176.000 -0.105 0.000 0.954 111 Q CA 1.777 57.508 55.803 -0.119 0.000 0.885 111 Q CB -1.441 27.263 28.738 -0.056 0.000 0.963 111 Q HN 0.621 nan 8.270 nan 0.000 0.471 112 T N -2.389 112.098 114.554 -0.112 0.000 3.129 112 T HA 0.261 4.611 4.350 -0.000 0.000 0.251 112 T C 1.705 176.275 174.700 -0.217 0.000 1.117 112 T CA -0.121 61.910 62.100 -0.115 0.000 1.034 112 T CB -0.049 68.772 68.868 -0.078 0.000 0.968 112 T HN 0.160 nan 8.240 nan 0.000 0.526 113 L N 0.140 121.186 121.223 -0.296 0.000 2.200 113 L HA 0.375 4.715 4.340 -0.000 0.000 0.200 113 L C 3.189 179.611 176.870 -0.747 0.000 1.072 113 L CA 0.835 55.317 54.840 -0.597 0.000 0.787 113 L CB -0.607 41.138 42.059 -0.523 0.000 0.957 113 L HN 0.337 nan 8.230 nan 0.000 0.459 114 A N 0.483 123.098 122.820 -0.342 0.000 1.902 114 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 114 A C 1.930 179.455 177.584 -0.099 0.000 1.181 114 A CA 1.907 53.862 52.037 -0.136 0.000 0.623 114 A CB -0.561 18.399 19.000 -0.067 0.000 0.818 114 A HN 0.401 nan 8.150 nan 0.000 0.443 115 N N -0.695 117.934 118.700 -0.119 0.000 2.244 115 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 115 N C 1.602 177.066 175.510 -0.077 0.000 1.016 115 N CA 1.298 54.307 53.050 -0.067 0.000 0.866 115 N CB -0.879 37.578 38.487 -0.050 0.000 0.980 115 N HN 0.560 nan 8.380 nan 0.000 0.430 116 C N -0.136 119.062 119.300 -0.170 0.000 2.457 116 C HA 0.014 4.474 4.460 -0.000 0.000 0.278 116 C C 2.340 177.283 174.990 -0.080 0.000 1.309 116 C CA 0.161 59.080 59.018 -0.164 0.000 1.735 116 C CB -1.197 26.381 27.740 -0.270 0.000 1.992 116 C HN 0.470 nan 8.230 nan 0.000 0.493 117 Y N 1.310 121.581 120.300 -0.049 0.000 2.145 117 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 117 Y C 2.944 178.824 175.900 -0.034 0.000 1.145 117 Y CA 1.643 59.711 58.100 -0.053 0.000 1.148 117 Y CB -0.701 37.704 38.460 -0.091 0.000 0.981 117 Y HN 0.448 nan 8.280 nan 0.000 0.507 118 T N -1.797 112.830 114.554 0.123 0.000 2.833 118 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 118 T C 1.983 176.715 174.700 0.053 0.000 1.054 118 T CA 0.846 62.990 62.100 0.073 0.000 1.135 118 T CB -0.596 68.302 68.868 0.051 0.000 0.869 118 T HN 0.342 nan 8.240 nan 0.000 0.466 119 A N 1.841 124.685 122.820 0.041 0.000 1.933 119 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 119 A C 2.442 180.051 177.584 0.042 0.000 1.175 119 A CA 1.652 53.709 52.037 0.034 0.000 0.628 119 A CB -0.746 18.266 19.000 0.019 0.000 0.814 119 A HN 0.593 nan 8.150 nan 0.000 0.444 120 M N -1.235 118.399 119.600 0.057 0.000 2.334 120 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 120 M C 1.867 178.196 176.300 0.048 0.000 1.082 120 M CA 1.105 56.438 55.300 0.055 0.000 1.141 120 M CB -0.344 32.301 32.600 0.075 0.000 1.380 120 M HN 0.417 nan 8.290 nan 0.000 0.440 121 E N 0.824 121.056 120.200 0.053 0.000 2.110 121 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 121 E C 0.381 177.003 176.600 0.037 0.000 0.988 121 E CA 0.720 57.145 56.400 0.041 0.000 0.804 121 E CB -0.056 29.670 29.700 0.044 0.000 0.745 121 E HN 0.496 nan 8.360 nan 0.000 0.458 122 M N 1.238 120.861 119.600 0.039 0.000 2.249 122 M HA 0.110 4.590 4.480 -0.000 0.000 0.351 122 M C -0.072 176.249 176.300 0.035 0.000 1.180 122 M CA -0.105 55.216 55.300 0.036 0.000 1.127 122 M CB 0.934 33.556 32.600 0.036 0.000 1.546 122 M HN -0.224 nan 8.290 nan 0.000 0.461 123 D N 4.265 124.685 120.400 0.033 0.000 2.662 123 D HA 0.207 4.847 4.640 -0.000 0.000 0.228 123 D C -0.699 175.620 176.300 0.031 0.000 1.093 123 D CA 0.412 54.430 54.000 0.030 0.000 1.075 123 D CB -0.152 40.664 40.800 0.027 0.000 1.122 123 D HN 0.413 nan 8.370 nan 0.000 0.475 124 L N 0.913 122.156 121.223 0.033 0.000 2.325 124 L HA 0.290 4.630 4.340 -0.000 0.000 0.278 124 L C 0.875 177.761 176.870 0.027 0.000 1.023 124 L CA -0.913 53.948 54.840 0.036 0.000 0.811 124 L CB 1.842 43.927 42.059 0.044 0.000 1.249 124 L HN -0.140 nan 8.230 nan 0.000 0.431 125 E N 2.430 122.644 120.200 0.022 0.000 2.299 125 E HA 0.160 4.510 4.350 -0.000 0.000 0.272 125 E C -0.888 175.713 176.600 0.002 0.000 1.043 125 E CA -0.139 56.264 56.400 0.006 0.000 0.895 125 E CB 1.690 31.386 29.700 -0.006 0.000 1.011 125 E HN 0.218 nan 8.360 nan 0.000 0.432 126 V N 4.567 124.480 119.914 -0.003 0.000 2.318 126 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 126 V C 0.304 176.381 176.094 -0.029 0.000 1.030 126 V CA -0.783 61.511 62.300 -0.009 0.000 0.844 126 V CB 1.300 33.121 31.823 -0.003 0.000 1.015 126 V HN 0.310 nan 8.190 nan 0.000 0.460 127 V N 8.495 128.379 119.914 -0.048 0.000 2.432 127 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 127 V C -1.832 174.224 176.094 -0.063 0.000 1.046 127 V CA -1.585 60.673 62.300 -0.070 0.000 0.945 127 V CB 1.392 33.146 31.823 -0.115 0.000 0.992 127 V HN 0.712 nan 8.190 nan 0.000 0.471 128 P HA 0.251 nan 4.420 nan 0.000 0.276 128 P C -0.898 176.367 177.300 -0.058 0.000 1.235 128 P CA -0.042 63.028 63.100 -0.050 0.000 0.772 128 P CB 1.325 33.001 31.700 -0.040 0.000 0.871 129 V N 5.153 125.034 119.914 -0.056 0.000 2.525 129 V HA 0.277 4.397 4.120 -0.000 0.000 0.299 129 V C 0.272 176.340 176.094 -0.044 0.000 1.034 129 V CA -0.649 61.616 62.300 -0.058 0.000 0.863 129 V CB 1.774 33.554 31.823 -0.072 0.000 0.999 129 V HN 0.367 nan 8.190 nan 0.000 0.423 130 L N 4.984 126.183 121.223 -0.039 0.000 2.261 130 L HA 0.472 4.812 4.340 -0.000 0.000 0.289 130 L C 0.446 177.299 176.870 -0.028 0.000 1.059 130 L CA 0.180 55.003 54.840 -0.029 0.000 0.816 130 L CB 0.491 42.535 42.059 -0.024 0.000 1.191 130 L HN 0.670 nan 8.230 nan 0.000 0.431 131 N N 3.048 121.734 118.700 -0.023 0.000 2.472 131 N HA 0.221 4.961 4.740 -0.000 0.000 0.289 131 N C -0.459 175.043 175.510 -0.014 0.000 1.156 131 N CA -0.689 52.348 53.050 -0.022 0.000 0.940 131 N CB 0.849 39.322 38.487 -0.022 0.000 1.200 131 N HN 0.487 nan 8.380 nan 0.000 0.511 132 K N 1.206 121.598 120.400 -0.013 0.000 3.150 132 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 132 K C 0.886 177.482 176.600 -0.006 0.000 1.028 132 K CA 0.261 56.544 56.287 -0.008 0.000 0.753 132 K CB -1.666 30.832 32.500 -0.004 0.000 1.288 132 K HN 0.508 nan 8.250 nan 0.000 0.473 133 I N -2.821 117.744 120.570 -0.008 0.000 2.830 133 I HA -0.100 4.070 4.170 -0.000 0.000 0.263 133 I C 1.538 177.653 176.117 -0.004 0.000 1.230 133 I CA 0.975 62.271 61.300 -0.007 0.000 1.480 133 I CB -0.092 37.902 38.000 -0.009 0.000 1.095 133 I HN 0.006 nan 8.210 nan 0.000 0.455 134 D N 1.492 121.889 120.400 -0.004 0.000 2.219 134 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 134 D C 1.097 177.397 176.300 -0.001 0.000 0.970 134 D CA 0.705 54.703 54.000 -0.003 0.000 0.851 134 D CB -0.138 40.660 40.800 -0.003 0.000 0.943 134 D HN 0.330 nan 8.370 nan 0.000 0.488 135 L N 1.983 123.206 121.223 -0.000 0.000 2.514 135 L HA 0.006 4.346 4.340 -0.000 0.000 0.280 135 L C -0.841 176.031 176.870 0.003 0.000 1.223 135 L CA -0.983 53.858 54.840 0.002 0.000 0.864 135 L CB 0.214 42.275 42.059 0.004 0.000 1.118 135 L HN -0.022 nan 8.230 nan 0.000 0.494 136 P HA -0.161 nan 4.420 nan 0.000 0.218 136 P C 0.781 178.085 177.300 0.006 0.000 1.149 136 P CA 1.179 64.281 63.100 0.005 0.000 0.817 136 P CB 0.225 31.928 31.700 0.005 0.000 0.785 137 A N -0.607 122.218 122.820 0.008 0.000 2.278 137 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 137 A C 1.196 178.786 177.584 0.010 0.000 1.213 137 A CA 0.022 52.066 52.037 0.011 0.000 0.840 137 A CB -0.838 18.171 19.000 0.014 0.000 0.866 137 A HN 0.239 nan 8.150 nan 0.000 0.489 138 A N 0.321 123.145 122.820 0.007 0.000 2.409 138 A HA 0.448 4.768 4.320 -0.000 0.000 0.267 138 A C -0.392 177.195 177.584 0.004 0.000 1.127 138 A CA -0.089 51.951 52.037 0.005 0.000 0.795 138 A CB 0.079 19.080 19.000 0.002 0.000 1.061 138 A HN 0.173 nan 8.150 nan 0.000 0.502 139 D N 3.655 124.058 120.400 0.004 0.000 2.412 139 D HA 0.369 5.009 4.640 -0.000 0.000 0.276 139 D C -2.026 174.275 176.300 0.001 0.000 1.196 139 D CA -1.729 52.274 54.000 0.004 0.000 0.905 139 D CB 1.313 42.117 40.800 0.007 0.000 1.081 139 D HN 0.151 nan 8.370 nan 0.000 0.502 140 P HA -0.090 nan 4.420 nan 0.000 0.214 140 P C 1.073 178.371 177.300 -0.004 0.000 1.162 140 P CA 0.971 64.068 63.100 -0.005 0.000 0.879 140 P CB 0.656 32.352 31.700 -0.007 0.000 0.786 141 E N -0.711 119.487 120.200 -0.002 0.000 2.097 141 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 141 E C 2.233 178.833 176.600 0.001 0.000 1.000 141 E CA 1.069 57.469 56.400 -0.001 0.000 0.804 141 E CB -0.536 29.164 29.700 0.000 0.000 0.740 141 E HN 0.067 nan 8.360 nan 0.000 0.454 142 R N 0.304 120.805 120.500 0.003 0.000 2.073 142 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 142 R C 2.079 178.381 176.300 0.003 0.000 1.120 142 R CA 1.149 57.252 56.100 0.006 0.000 0.967 142 R CB -0.266 30.039 30.300 0.009 0.000 0.862 142 R HN 0.139 nan 8.270 nan 0.000 0.436 143 V N 1.359 121.272 119.914 -0.001 0.000 2.515 143 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 143 V C 2.560 178.647 176.094 -0.012 0.000 1.058 143 V CA 1.683 63.979 62.300 -0.006 0.000 1.064 143 V CB -0.725 31.094 31.823 -0.007 0.000 0.675 143 V HN 0.441 nan 8.190 nan 0.000 0.461 144 A N -0.281 122.533 122.820 -0.010 0.000 1.908 144 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 144 A C 2.199 179.778 177.584 -0.009 0.000 1.181 144 A CA 2.044 54.074 52.037 -0.011 0.000 0.627 144 A CB -0.466 18.528 19.000 -0.009 0.000 0.818 144 A HN 0.615 nan 8.150 nan 0.000 0.445 145 E N -0.560 119.638 120.200 -0.003 0.000 2.110 145 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 145 E C 2.053 178.651 176.600 -0.003 0.000 0.988 145 E CA 1.175 57.577 56.400 0.003 0.000 0.804 145 E CB -0.155 29.552 29.700 0.012 0.000 0.745 145 E HN 0.713 nan 8.360 nan 0.000 0.458 146 E N 0.505 120.699 120.200 -0.010 0.000 2.051 146 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 146 E C 2.185 178.751 176.600 -0.057 0.000 0.991 146 E CA 0.836 57.218 56.400 -0.030 0.000 0.799 146 E CB -0.085 29.600 29.700 -0.024 0.000 0.748 146 E HN 0.276 nan 8.360 nan 0.000 0.449 147 I N 0.931 121.475 120.570 -0.042 0.000 2.226 147 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 147 I C 2.486 178.582 176.117 -0.034 0.000 1.100 147 I CA 1.169 62.443 61.300 -0.044 0.000 1.374 147 I CB -0.162 37.817 38.000 -0.036 0.000 1.057 147 I HN 0.091 nan 8.210 nan 0.000 0.413 148 E N 0.459 120.646 120.200 -0.022 0.000 2.204 148 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 148 E C 1.525 178.122 176.600 -0.006 0.000 0.989 148 E CA 1.195 57.591 56.400 -0.008 0.000 0.824 148 E CB 0.160 29.859 29.700 -0.000 0.000 0.756 148 E HN 0.372 nan 8.360 nan 0.000 0.477 149 D N -0.686 119.698 120.400 -0.027 0.000 2.202 149 D HA 0.020 4.659 4.640 -0.000 0.000 0.214 149 D C 1.707 177.913 176.300 -0.156 0.000 0.967 149 D CA 0.807 54.791 54.000 -0.028 0.000 0.871 149 D CB 0.205 41.008 40.800 0.005 0.000 1.020 149 D HN 0.143 nan 8.370 nan 0.000 0.474 150 I N -0.406 119.993 120.570 -0.285 0.000 2.494 150 I HA -0.085 4.085 4.170 -0.000 0.000 0.250 150 I C 2.019 178.108 176.117 -0.046 0.000 1.112 150 I CA 0.385 61.444 61.300 -0.402 0.000 1.438 150 I CB 0.229 37.997 38.000 -0.387 0.000 1.111 150 I HN -0.079 nan 8.210 nan 0.000 0.431 151 V N 0.439 120.349 119.914 -0.006 0.000 2.725 151 V HA 0.182 4.302 4.120 -0.000 0.000 0.247 151 V C 1.587 177.753 176.094 0.121 0.000 1.058 151 V CA 1.032 63.391 62.300 0.099 0.000 1.080 151 V CB -0.752 31.068 31.823 -0.005 0.000 0.713 151 V HN 0.660 nan 8.190 nan 0.000 0.465 152 G N 0.796 109.625 108.800 0.049 0.000 2.182 152 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 152 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 152 G C -0.400 174.518 174.900 0.030 0.000 1.042 152 G CA 0.190 45.314 45.100 0.040 0.000 0.775 152 G HN 0.340 nan 8.290 nan 0.000 0.501 153 I N 0.512 121.093 120.570 0.018 0.000 2.433 153 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 153 I C -0.114 176.002 176.117 -0.002 0.000 1.001 153 I CA -1.896 59.408 61.300 0.007 0.000 1.119 153 I CB 1.808 39.810 38.000 0.002 0.000 1.289 153 I HN 0.129 nan 8.210 nan 0.000 0.438 154 D N 5.640 126.038 120.400 -0.003 0.000 2.382 154 D HA 0.404 5.044 4.640 -0.000 0.000 0.259 154 D C 0.009 176.301 176.300 -0.013 0.000 1.224 154 D CA 0.349 54.346 54.000 -0.006 0.000 0.894 154 D CB 0.796 41.593 40.800 -0.006 0.000 1.127 154 D HN 0.568 nan 8.370 nan 0.000 0.487 155 A N 2.990 125.801 122.820 -0.014 0.000 2.643 155 A HA 0.164 4.484 4.320 -0.000 0.000 0.295 155 A C 1.468 179.043 177.584 -0.016 0.000 1.065 155 A CA 0.107 52.133 52.037 -0.019 0.000 0.986 155 A CB -0.306 18.682 19.000 -0.021 0.000 1.212 155 A HN 0.571 nan 8.150 nan 0.000 0.516 156 T N -3.156 111.390 114.554 -0.013 0.000 2.857 156 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 156 T C 0.851 175.542 174.700 -0.014 0.000 1.048 156 T CA 1.796 63.889 62.100 -0.011 0.000 1.139 156 T CB -0.163 68.700 68.868 -0.008 0.000 0.874 156 T HN 0.168 nan 8.240 nan 0.000 0.455 157 D N 1.615 122.004 120.400 -0.018 0.000 2.525 157 D HA 0.510 5.150 4.640 -0.000 0.000 0.229 157 D C 0.193 176.476 176.300 -0.029 0.000 1.202 157 D CA -0.364 53.623 54.000 -0.022 0.000 0.828 157 D CB -0.177 40.610 40.800 -0.022 0.000 1.008 157 D HN 0.624 nan 8.370 nan 0.000 0.493 158 A N 0.331 123.134 122.820 -0.028 0.000 2.548 158 A HA 0.246 4.566 4.320 -0.000 0.000 0.247 158 A C 0.428 177.990 177.584 -0.037 0.000 1.067 158 A CA -0.161 51.855 52.037 -0.034 0.000 0.757 158 A CB 0.201 19.182 19.000 -0.030 0.000 0.996 158 A HN 0.121 nan 8.150 nan 0.000 0.504 159 V N 4.954 124.840 119.914 -0.047 0.000 2.614 159 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 159 V C 0.739 176.806 176.094 -0.046 0.000 1.049 159 V CA -0.284 61.987 62.300 -0.049 0.000 1.038 159 V CB 0.340 32.123 31.823 -0.066 0.000 0.980 159 V HN 1.021 nan 8.190 nan 0.000 0.481 160 R N 3.518 123.995 120.500 -0.038 0.000 2.832 160 R HA 0.909 5.249 4.340 -0.000 0.000 0.271 160 R C -0.880 175.401 176.300 -0.032 0.000 0.996 160 R CA -0.595 55.486 56.100 -0.033 0.000 0.977 160 R CB 1.651 31.937 30.300 -0.024 0.000 1.168 160 R HN 0.822 nan 8.270 nan 0.000 0.482 161 C N -1.921 117.362 119.300 -0.029 0.000 3.311 161 C HA 0.699 5.159 4.460 -0.000 0.000 0.325 161 C C -0.383 174.594 174.990 -0.022 0.000 1.352 161 C CA -1.053 57.948 59.018 -0.028 0.000 1.308 161 C CB 1.582 29.299 27.740 -0.039 0.000 1.619 161 C HN 0.908 nan 8.230 nan 0.000 0.469 162 S N -0.171 115.518 115.700 -0.018 0.000 2.501 162 S HA 0.697 5.166 4.470 -0.000 0.000 0.301 162 S C 0.741 175.333 174.600 -0.014 0.000 1.096 162 S CA 0.248 58.439 58.200 -0.014 0.000 1.063 162 S CB 1.546 64.740 63.200 -0.009 0.000 1.042 162 S HN 1.889 nan 8.310 nan 0.000 0.494 163 A N 4.187 127.000 122.820 -0.012 0.000 2.132 163 A HA 0.215 4.535 4.320 -0.000 0.000 0.213 163 A C 1.851 179.430 177.584 -0.008 0.000 1.154 163 A CA 0.435 52.466 52.037 -0.011 0.000 0.753 163 A CB -0.179 18.815 19.000 -0.012 0.000 0.826 163 A HN 0.861 nan 8.150 nan 0.000 0.469 164 K N -0.411 119.985 120.400 -0.006 0.000 2.076 164 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 164 K C 2.072 178.670 176.600 -0.003 0.000 1.051 164 K CA 1.829 58.113 56.287 -0.004 0.000 0.949 164 K CB -0.085 32.413 32.500 -0.003 0.000 0.726 164 K HN 0.655 nan 8.250 nan 0.000 0.443 165 T N -4.413 110.139 114.554 -0.003 0.000 3.056 165 T HA 0.220 4.570 4.350 -0.000 0.000 0.243 165 T C 1.434 176.133 174.700 -0.001 0.000 0.995 165 T CA 0.569 62.668 62.100 -0.001 0.000 1.091 165 T CB 0.725 69.592 68.868 -0.001 0.000 0.990 165 T HN 0.277 nan 8.240 nan 0.000 0.464 166 G N 1.579 110.376 108.800 -0.005 0.000 2.144 166 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 166 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 166 G C 0.128 175.023 174.900 -0.008 0.000 0.988 166 G CA -0.044 45.052 45.100 -0.007 0.000 0.659 166 G HN 1.533 nan 8.290 nan 0.000 0.522 167 V N -1.619 118.291 119.914 -0.007 0.000 2.572 167 V HA 0.666 4.786 4.120 -0.000 0.000 0.291 167 V C 1.609 177.694 176.094 -0.015 0.000 1.039 167 V CA 0.792 63.088 62.300 -0.007 0.000 1.055 167 V CB 0.934 32.755 31.823 -0.004 0.000 0.969 167 V HN 2.196 nan 8.190 nan 0.000 0.482 168 G N 2.509 111.298 108.800 -0.017 0.000 2.199 168 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 168 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 168 G C 0.470 175.341 174.900 -0.048 0.000 0.982 168 G CA 0.359 45.442 45.100 -0.029 0.000 0.632 168 G HN 1.214 nan 8.290 nan 0.000 0.529 169 V N 0.668 120.554 119.914 -0.047 0.000 2.548 169 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 169 V C 2.641 178.673 176.094 -0.103 0.000 1.055 169 V CA 2.737 64.995 62.300 -0.071 0.000 1.065 169 V CB -0.197 31.593 31.823 -0.054 0.000 0.681 169 V HN 0.605 nan 8.190 nan 0.000 0.462 170 Q N -0.087 119.671 119.800 -0.071 0.000 2.124 170 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 170 Q C 1.903 177.842 176.000 -0.102 0.000 0.977 170 Q CA 1.846 57.600 55.803 -0.082 0.000 0.850 170 Q CB -0.071 28.687 28.738 0.033 0.000 0.901 170 Q HN 0.610 nan 8.270 nan 0.000 0.429 171 D N -0.277 120.084 120.400 -0.065 0.000 2.178 171 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 171 D C 1.930 178.162 176.300 -0.112 0.000 0.980 171 D CA 0.828 54.789 54.000 -0.064 0.000 0.842 171 D CB -0.054 40.721 40.800 -0.043 0.000 0.948 171 D HN 0.131 nan 8.370 nan 0.000 0.472 172 V N 0.787 120.619 119.914 -0.136 0.000 2.343 172 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 172 V C 2.430 178.370 176.094 -0.257 0.000 1.051 172 V CA 1.116 63.310 62.300 -0.176 0.000 1.036 172 V CB -0.313 31.412 31.823 -0.164 0.000 0.654 172 V HN 0.127 nan 8.190 nan 0.000 0.451 173 L N -0.489 120.544 121.223 -0.317 0.000 2.109 173 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 173 L C 2.531 179.176 176.870 -0.375 0.000 1.086 173 L CA 1.620 56.179 54.840 -0.468 0.000 0.760 173 L CB -0.831 40.750 42.059 -0.796 0.000 0.910 173 L HN 0.285 nan 8.230 nan 0.000 0.437 174 E N -0.499 119.565 120.200 -0.226 0.000 2.038 174 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 174 E C 2.354 178.876 176.600 -0.131 0.000 1.000 174 E CA 1.069 57.419 56.400 -0.084 0.000 0.803 174 E CB -0.177 29.517 29.700 -0.011 0.000 0.750 174 E HN 0.216 nan 8.360 nan 0.000 0.448 175 R N 1.339 121.753 120.500 -0.144 0.000 2.083 175 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 175 R C 2.479 178.669 176.300 -0.184 0.000 1.137 175 R CA 1.132 57.148 56.100 -0.140 0.000 0.951 175 R CB -1.063 29.159 30.300 -0.129 0.000 0.851 175 R HN 0.214 nan 8.270 nan 0.000 0.434 176 L N -0.313 120.755 121.223 -0.259 0.000 1.976 176 L HA -0.278 4.062 4.340 -0.000 0.000 0.223 176 L C 2.090 178.793 176.870 -0.278 0.000 1.081 176 L CA 2.054 56.690 54.840 -0.341 0.000 0.784 176 L CB -0.502 41.243 42.059 -0.524 0.000 0.896 176 L HN 0.135 nan 8.230 nan 0.000 0.438 177 V N -0.290 119.450 119.914 -0.291 0.000 2.392 177 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 177 V C 2.665 178.614 176.094 -0.242 0.000 1.059 177 V CA 2.232 64.332 62.300 -0.333 0.000 1.051 177 V CB -0.824 30.671 31.823 -0.546 0.000 0.658 177 V HN 0.492 nan 8.190 nan 0.000 0.455 178 R N -0.347 120.045 120.500 -0.180 0.000 2.092 178 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 178 R C 1.670 177.921 176.300 -0.082 0.000 1.119 178 R CA 1.902 57.936 56.100 -0.111 0.000 0.970 178 R CB -0.033 30.216 30.300 -0.085 0.000 0.864 178 R HN 0.501 nan 8.270 nan 0.000 0.440 179 D N -0.625 119.719 120.400 -0.094 0.000 2.422 179 D HA 0.149 4.789 4.640 -0.000 0.000 0.218 179 D C 0.212 176.478 176.300 -0.056 0.000 1.047 179 D CA 0.219 54.179 54.000 -0.067 0.000 0.885 179 D CB 0.571 41.329 40.800 -0.069 0.000 1.035 179 D HN 0.129 nan 8.370 nan 0.000 0.502 180 I N 3.974 124.499 120.570 -0.075 0.000 2.396 180 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 180 I C -2.100 174.010 176.117 -0.012 0.000 1.056 180 I CA -1.695 59.581 61.300 -0.040 0.000 1.365 180 I CB 1.113 39.082 38.000 -0.052 0.000 1.407 180 I HN -0.222 nan 8.210 nan 0.000 0.509 181 P HA 0.204 nan 4.420 nan 0.000 0.275 181 P C -2.557 174.772 177.300 0.049 0.000 1.228 181 P CA -1.582 61.535 63.100 0.027 0.000 0.786 181 P CB -0.058 31.659 31.700 0.028 0.000 0.927 182 P HA 0.128 nan 4.420 nan 0.000 0.270 182 P C -2.259 175.081 177.300 0.067 0.000 1.223 182 P CA -1.232 61.917 63.100 0.080 0.000 0.785 182 P CB -1.085 30.668 31.700 0.087 0.000 0.923 183 P HA 0.166 nan 4.420 nan 0.000 0.271 183 P C -0.463 176.865 177.300 0.046 0.000 1.233 183 P CA 0.360 63.495 63.100 0.058 0.000 0.789 183 P CB 0.752 32.487 31.700 0.059 0.000 0.951 184 E N -0.837 119.386 120.200 0.038 0.000 2.340 184 E HA 0.693 5.043 4.350 -0.000 0.000 0.273 184 E C -0.392 176.223 176.600 0.025 0.000 0.891 184 E CA -0.750 55.669 56.400 0.031 0.000 0.757 184 E CB 2.092 31.810 29.700 0.029 0.000 1.231 184 E HN 0.759 nan 8.360 nan 0.000 0.439 185 G N 1.484 110.296 108.800 0.021 0.000 2.324 185 G HA2 0.110 4.070 3.960 -0.000 0.000 0.293 185 G HA3 0.110 4.070 3.960 -0.000 0.000 0.293 185 G C -1.889 173.018 174.900 0.012 0.000 1.297 185 G CA -0.850 44.259 45.100 0.016 0.000 0.853 185 G HN 0.428 nan 8.290 nan 0.000 0.535 186 D N 0.326 120.731 120.400 0.008 0.000 2.441 186 D HA 0.528 5.168 4.640 -0.000 0.000 0.231 186 D C -1.448 174.852 176.300 0.001 0.000 1.073 186 D CA -2.029 51.974 54.000 0.005 0.000 0.850 186 D CB 2.239 43.041 40.800 0.004 0.000 1.062 186 D HN -0.059 nan 8.370 nan 0.000 0.524 187 P HA -0.112 nan 4.420 nan 0.000 0.220 187 P C 0.613 177.908 177.300 -0.008 0.000 1.144 187 P CA 0.979 64.076 63.100 -0.005 0.000 0.800 187 P CB 0.593 32.290 31.700 -0.005 0.000 0.772 188 E N -1.214 118.982 120.200 -0.005 0.000 2.415 188 E HA 0.168 4.518 4.350 -0.000 0.000 0.197 188 E C 1.320 177.916 176.600 -0.006 0.000 1.007 188 E CA 0.007 56.403 56.400 -0.007 0.000 0.890 188 E CB -0.732 28.965 29.700 -0.006 0.000 0.891 188 E HN 0.077 nan 8.360 nan 0.000 0.496 189 G N 2.208 111.006 108.800 -0.003 0.000 2.664 189 G HA2 0.138 4.098 3.960 -0.000 0.000 0.242 189 G HA3 0.138 4.098 3.960 -0.000 0.000 0.242 189 G C -2.224 172.674 174.900 -0.004 0.000 1.225 189 G CA -0.940 44.159 45.100 -0.002 0.000 0.849 189 G HN -0.023 nan 8.290 nan 0.000 0.581 190 P HA -0.035 nan 4.420 nan 0.000 0.265 190 P C 0.404 177.700 177.300 -0.007 0.000 1.187 190 P CA -0.089 63.007 63.100 -0.006 0.000 0.766 190 P CB 0.658 32.355 31.700 -0.005 0.000 0.820 191 L N 3.608 124.825 121.223 -0.010 0.000 2.513 191 L HA -0.030 4.310 4.340 -0.000 0.000 0.272 191 L C 0.345 177.209 176.870 -0.010 0.000 1.187 191 L CA 0.813 55.646 54.840 -0.012 0.000 0.895 191 L CB -0.202 41.848 42.059 -0.016 0.000 1.147 191 L HN 0.460 nan 8.230 nan 0.000 0.483 192 Q N 4.677 124.473 119.800 -0.007 0.000 2.414 192 Q HA 0.480 4.820 4.340 -0.000 0.000 0.256 192 Q C -1.085 174.913 176.000 -0.002 0.000 0.974 192 Q CA -0.446 55.354 55.803 -0.004 0.000 0.723 192 Q CB 2.059 30.799 28.738 0.002 0.000 1.281 192 Q HN 0.744 nan 8.270 nan 0.000 0.470 193 A N 2.677 125.494 122.820 -0.005 0.000 2.304 193 A HA 0.565 4.885 4.320 -0.000 0.000 0.314 193 A C -1.047 176.540 177.584 0.006 0.000 1.187 193 A CA -0.604 51.431 52.037 -0.003 0.000 0.810 193 A CB 0.681 19.674 19.000 -0.013 0.000 1.183 193 A HN 0.648 nan 8.150 nan 0.000 0.487 194 L N 3.776 125.009 121.223 0.017 0.000 2.313 194 L HA 0.455 4.795 4.340 -0.000 0.000 0.282 194 L C -0.508 176.385 176.870 0.038 0.000 1.092 194 L CA -0.084 54.775 54.840 0.032 0.000 0.831 194 L CB 0.155 42.236 42.059 0.036 0.000 1.159 194 L HN 0.575 nan 8.230 nan 0.000 0.442 195 I N 7.053 127.652 120.570 0.049 0.000 2.483 195 I HA 0.009 4.179 4.170 -0.000 0.000 0.291 195 I C 1.145 177.306 176.117 0.073 0.000 1.112 195 I CA 0.749 62.085 61.300 0.060 0.000 1.350 195 I CB 0.393 38.432 38.000 0.066 0.000 1.419 195 I HN 0.712 nan 8.210 nan 0.000 0.523 196 I N 3.463 124.077 120.570 0.073 0.000 2.400 196 I HA 0.034 4.204 4.170 -0.000 0.000 0.248 196 I C 0.514 176.685 176.117 0.089 0.000 1.109 196 I CA 0.955 62.294 61.300 0.064 0.000 1.425 196 I CB 0.019 38.060 38.000 0.069 0.000 1.094 196 I HN 0.547 nan 8.210 nan 0.000 0.425 197 D N -1.034 119.457 120.400 0.152 0.000 2.654 197 D HA 0.390 5.030 4.640 -0.000 0.000 0.231 197 D C -1.500 174.944 176.300 0.239 0.000 1.239 197 D CA -0.209 53.919 54.000 0.213 0.000 0.790 197 D CB 2.102 43.058 40.800 0.260 0.000 1.480 197 D HN -0.210 nan 8.370 nan 0.000 0.442 198 S N 1.421 117.249 115.700 0.213 0.000 2.571 198 S HA 0.756 5.226 4.470 -0.000 0.000 0.284 198 S C -1.286 173.433 174.600 0.198 0.000 1.128 198 S CA -0.919 57.309 58.200 0.047 0.000 0.970 198 S CB 0.862 64.041 63.200 -0.035 0.000 1.039 198 S HN 0.465 nan 8.310 nan 0.000 0.485 199 W N 1.734 123.049 121.300 0.024 0.000 3.032 199 W HA 0.834 5.494 4.660 -0.000 0.000 0.341 199 W C -1.804 174.770 176.519 0.092 0.000 1.202 199 W CA -1.395 55.976 57.345 0.044 0.000 1.132 199 W CB 0.410 29.875 29.460 0.010 0.000 1.465 199 W HN 0.457 nan 8.180 nan 0.000 0.576 200 F N 3.030 123.088 119.950 0.180 0.000 2.415 200 F HA 0.298 4.825 4.527 -0.000 0.000 0.348 200 F C -0.105 175.810 175.800 0.191 0.000 1.119 200 F CA -0.530 57.515 58.000 0.074 0.000 1.069 200 F CB 0.711 39.745 39.000 0.056 0.000 1.124 200 F HN 0.381 nan 8.300 nan 0.000 0.472 201 D N 5.204 125.358 120.400 -0.411 0.000 2.280 201 D HA 0.098 4.738 4.640 -0.000 0.000 0.236 201 D C 0.333 176.382 176.300 -0.417 0.000 1.082 201 D CA -0.233 53.645 54.000 -0.202 0.000 0.834 201 D CB 0.944 41.665 40.800 -0.132 0.000 1.100 201 D HN 0.562 nan 8.370 nan 0.000 0.486 202 N N 2.650 121.320 118.700 -0.051 0.000 2.588 202 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 202 N C 0.680 176.241 175.510 0.084 0.000 1.094 202 N CA 0.743 53.845 53.050 0.086 0.000 0.921 202 N CB 0.170 38.756 38.487 0.165 0.000 0.959 202 N HN 0.607 nan 8.380 nan 0.000 0.448 203 Y N -0.662 119.559 120.300 -0.132 0.000 2.652 203 Y HA 0.222 4.772 4.550 -0.000 0.000 0.274 203 Y C 1.462 177.276 175.900 -0.143 0.000 1.148 203 Y CA -0.036 58.005 58.100 -0.099 0.000 1.219 203 Y CB -0.061 38.361 38.460 -0.062 0.000 1.337 203 Y HN -0.217 nan 8.280 nan 0.000 0.490 204 L N 0.438 121.473 121.223 -0.313 0.000 2.307 204 L HA 0.403 4.743 4.340 -0.000 0.000 0.211 204 L C 1.383 178.009 176.870 -0.407 0.000 1.099 204 L CA 1.321 55.930 54.840 -0.386 0.000 0.816 204 L CB -0.812 41.098 42.059 -0.248 0.000 0.952 204 L HN 0.504 nan 8.230 nan 0.000 0.455 205 G N -0.985 107.469 108.800 -0.576 0.000 2.482 205 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 205 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 205 G C -0.545 173.943 174.900 -0.687 0.000 1.271 205 G CA -0.495 44.177 45.100 -0.713 0.000 0.944 205 G HN -0.106 nan 8.290 nan 0.000 0.568 206 V N 0.760 120.456 119.914 -0.364 0.000 2.485 206 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 206 V C 0.789 176.635 176.094 -0.413 0.000 1.022 206 V CA 0.121 62.251 62.300 -0.282 0.000 1.067 206 V CB 0.789 32.535 31.823 -0.128 0.000 0.967 206 V HN 0.905 nan 8.190 nan 0.000 0.479 207 V N 4.581 124.090 119.914 -0.674 0.000 2.555 207 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 207 V C -0.022 175.482 176.094 -0.983 0.000 1.038 207 V CA -0.432 61.382 62.300 -0.810 0.000 0.887 207 V CB 2.151 33.368 31.823 -1.010 0.000 0.991 207 V HN 0.839 nan 8.190 nan 0.000 0.434 208 S N 4.015 119.404 115.700 -0.519 0.000 2.502 208 S HA 0.659 5.129 4.470 -0.000 0.000 0.304 208 S C -0.678 173.894 174.600 -0.045 0.000 1.097 208 S CA -0.464 57.560 58.200 -0.294 0.000 1.045 208 S CB 1.693 64.806 63.200 -0.144 0.000 1.019 208 S HN 0.616 nan 8.310 nan 0.000 0.481 209 L N 4.308 125.633 121.223 0.170 0.000 2.290 209 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 209 L C -0.976 175.987 176.870 0.154 0.000 1.078 209 L CA 0.207 55.232 54.840 0.309 0.000 0.815 209 L CB 0.121 42.448 42.059 0.448 0.000 1.162 209 L HN 0.600 nan 8.230 nan 0.000 0.435 210 I N 4.879 125.513 120.570 0.107 0.000 2.603 210 I HA 0.533 4.703 4.170 -0.000 0.000 0.300 210 I C -0.345 175.795 176.117 0.037 0.000 1.017 210 I CA -0.995 60.332 61.300 0.046 0.000 1.098 210 I CB 1.755 39.755 38.000 -0.001 0.000 1.279 210 I HN 0.492 nan 8.210 nan 0.000 0.437 211 R N 5.938 126.454 120.500 0.028 0.000 2.480 211 R HA 0.476 4.816 4.340 -0.000 0.000 0.306 211 R C -1.179 175.127 176.300 0.011 0.000 0.958 211 R CA -0.808 55.305 56.100 0.021 0.000 0.861 211 R CB 1.393 31.710 30.300 0.029 0.000 1.171 211 R HN 0.474 nan 8.270 nan 0.000 0.445 212 I N 5.920 126.492 120.570 0.004 0.000 2.322 212 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 212 I C 1.256 177.379 176.117 0.008 0.000 1.060 212 I CA -0.193 61.106 61.300 -0.001 0.000 1.309 212 I CB 1.081 39.072 38.000 -0.014 0.000 1.415 212 I HN 0.385 nan 8.210 nan 0.000 0.492 213 K N 3.932 124.339 120.400 0.010 0.000 2.202 213 K HA 0.141 4.461 4.320 -0.000 0.000 0.201 213 K C 0.244 176.851 176.600 0.012 0.000 1.051 213 K CA 0.598 56.894 56.287 0.016 0.000 0.977 213 K CB 0.213 32.725 32.500 0.019 0.000 0.792 213 K HN 0.496 nan 8.250 nan 0.000 0.469 214 N N -1.166 117.537 118.700 0.006 0.000 2.329 214 N HA 0.430 5.170 4.740 -0.000 0.000 0.282 214 N C -0.647 174.861 175.510 -0.004 0.000 1.198 214 N CA 0.667 53.719 53.050 0.003 0.000 0.790 214 N CB 2.151 40.640 38.487 0.004 0.000 1.579 214 N HN 0.245 nan 8.380 nan 0.000 0.475 215 G N 0.035 108.832 108.800 -0.005 0.000 2.741 215 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.222 215 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.222 215 G C -1.227 173.663 174.900 -0.016 0.000 1.364 215 G CA -0.239 44.855 45.100 -0.011 0.000 0.866 215 G HN 0.664 nan 8.290 nan 0.000 0.555 216 T N 0.132 114.673 114.554 -0.022 0.000 2.881 216 T HA 0.553 4.902 4.350 -0.000 0.000 0.290 216 T C -0.729 173.949 174.700 -0.037 0.000 1.000 216 T CA -0.398 61.684 62.100 -0.030 0.000 0.978 216 T CB 1.905 70.755 68.868 -0.029 0.000 0.997 216 T HN 1.071 nan 8.240 nan 0.000 0.443 217 L N 3.863 125.056 121.223 -0.050 0.000 2.296 217 L HA 0.649 4.989 4.340 -0.000 0.000 0.286 217 L C -0.219 176.607 176.870 -0.073 0.000 1.023 217 L CA -0.173 54.632 54.840 -0.059 0.000 0.812 217 L CB 0.612 42.630 42.059 -0.069 0.000 1.223 217 L HN 0.574 nan 8.230 nan 0.000 0.421 218 R N 3.182 123.643 120.500 -0.065 0.000 2.902 218 R HA 0.415 4.755 4.340 -0.000 0.000 0.258 218 R C 0.521 176.778 176.300 -0.072 0.000 1.071 218 R CA -0.925 55.134 56.100 -0.069 0.000 1.024 218 R CB 1.388 31.657 30.300 -0.053 0.000 1.184 218 R HN 0.527 nan 8.270 nan 0.000 0.492 219 K N 0.787 121.143 120.400 -0.074 0.000 1.987 219 K HA -0.162 4.158 4.320 -0.000 0.000 0.216 219 K C 1.914 178.485 176.600 -0.049 0.000 1.051 219 K CA 2.200 58.444 56.287 -0.071 0.000 0.942 219 K CB -0.683 31.778 32.500 -0.064 0.000 0.722 219 K HN 0.787 nan 8.250 nan 0.000 0.444 220 G N 0.953 109.731 108.800 -0.038 0.000 2.448 220 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 220 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 220 G C -0.153 174.734 174.900 -0.023 0.000 1.127 220 G CA 0.530 45.614 45.100 -0.027 0.000 0.766 220 G HN 0.381 nan 8.290 nan 0.000 0.552 221 D N 0.871 121.255 120.400 -0.027 0.000 2.571 221 D HA 0.140 4.780 4.640 -0.000 0.000 0.231 221 D C 0.659 176.952 176.300 -0.012 0.000 1.133 221 D CA 0.542 54.529 54.000 -0.022 0.000 0.862 221 D CB 0.584 41.367 40.800 -0.028 0.000 1.179 221 D HN 0.518 nan 8.370 nan 0.000 0.474 222 K N 0.381 120.775 120.400 -0.009 0.000 2.267 222 K HA 0.403 4.723 4.320 -0.000 0.000 0.282 222 K C -0.038 176.564 176.600 0.004 0.000 1.078 222 K CA -0.931 55.356 56.287 -0.001 0.000 0.903 222 K CB 0.759 33.252 32.500 -0.012 0.000 1.111 222 K HN 0.248 nan 8.250 nan 0.000 0.475 223 V N 0.238 120.171 119.914 0.031 0.000 3.036 223 V HA 0.451 4.571 4.120 -0.000 0.000 0.308 223 V C -0.331 175.794 176.094 0.051 0.000 1.070 223 V CA -0.747 61.577 62.300 0.039 0.000 1.056 223 V CB 1.154 33.007 31.823 0.050 0.000 1.084 223 V HN 0.920 nan 8.190 nan 0.000 0.471 224 K N 2.007 122.429 120.400 0.037 0.000 2.507 224 K HA 0.636 4.956 4.320 -0.000 0.000 0.252 224 K C -1.551 175.071 176.600 0.036 0.000 0.943 224 K CA -0.698 55.604 56.287 0.024 0.000 0.808 224 K CB 2.126 34.618 32.500 -0.013 0.000 1.142 224 K HN 0.721 nan 8.250 nan 0.000 0.426 225 V N 6.516 126.474 119.914 0.074 0.000 2.408 225 V HA 0.092 4.212 4.120 -0.000 0.000 0.267 225 V C 1.465 177.545 176.094 -0.023 0.000 1.047 225 V CA -0.223 62.101 62.300 0.040 0.000 0.937 225 V CB 1.017 32.905 31.823 0.108 0.000 0.999 225 V HN 0.956 nan 8.190 nan 0.000 0.472 226 M N 2.046 121.596 119.600 -0.083 0.000 2.229 226 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 226 M C 2.116 178.337 176.300 -0.133 0.000 1.063 226 M CA 1.335 56.571 55.300 -0.106 0.000 1.114 226 M CB -0.197 32.331 32.600 -0.121 0.000 1.387 226 M HN 0.767 nan 8.290 nan 0.000 0.420 227 S N -0.057 115.520 115.700 -0.206 0.000 2.329 227 S HA -0.140 4.330 4.470 -0.000 0.000 0.215 227 S C 2.017 176.594 174.600 -0.038 0.000 1.031 227 S CA 1.997 60.098 58.200 -0.165 0.000 0.985 227 S CB -0.541 62.512 63.200 -0.246 0.000 0.917 227 S HN 0.510 nan 8.310 nan 0.000 0.441 228 T N 0.047 114.599 114.554 -0.004 0.000 2.833 228 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 228 T C 1.479 176.181 174.700 0.003 0.000 1.054 228 T CA 1.962 64.079 62.100 0.030 0.000 1.135 228 T CB -0.845 68.070 68.868 0.078 0.000 0.869 228 T HN 0.705 nan 8.240 nan 0.000 0.466 229 G N 0.419 109.211 108.800 -0.014 0.000 2.179 229 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 229 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 229 G C 0.060 174.928 174.900 -0.053 0.000 0.977 229 G CA 0.427 45.509 45.100 -0.031 0.000 0.641 229 G HN 0.655 nan 8.290 nan 0.000 0.533 230 Q N 1.053 120.816 119.800 -0.061 0.000 2.368 230 Q HA 0.486 4.826 4.340 -0.000 0.000 0.237 230 Q C 0.742 176.579 176.000 -0.271 0.000 0.987 230 Q CA 0.900 56.593 55.803 -0.184 0.000 0.896 230 Q CB 0.776 29.377 28.738 -0.229 0.000 1.241 230 Q HN 0.565 nan 8.270 nan 0.000 0.485 231 T N -0.893 113.409 114.554 -0.420 0.000 2.918 231 T HA 0.681 5.031 4.350 -0.000 0.000 0.286 231 T C -0.898 173.432 174.700 -0.617 0.000 1.026 231 T CA -0.547 61.348 62.100 -0.341 0.000 1.031 231 T CB 0.795 69.558 68.868 -0.176 0.000 1.046 231 T HN 0.444 nan 8.240 nan 0.000 0.479 232 Y N -0.446 119.841 120.300 -0.023 0.000 2.615 232 Y HA 0.493 5.043 4.550 -0.000 0.000 0.341 232 Y C -0.003 175.880 175.900 -0.028 0.000 1.089 232 Y CA -1.407 56.679 58.100 -0.024 0.000 1.049 232 Y CB 2.008 40.453 38.460 -0.025 0.000 1.296 232 Y HN 0.553 nan 8.280 nan 0.000 0.470 233 N N 1.124 119.911 118.700 0.146 0.000 2.422 233 N HA 0.405 5.145 4.740 -0.000 0.000 0.266 233 N C -0.689 174.844 175.510 0.039 0.000 1.007 233 N CA -0.271 52.816 53.050 0.062 0.000 0.941 233 N CB 1.740 40.247 38.487 0.034 0.000 1.115 233 N HN 0.796 nan 8.380 nan 0.000 0.492 234 A N 2.856 125.682 122.820 0.010 0.000 2.981 234 A HA 0.040 4.360 4.320 -0.000 0.000 0.280 234 A C 0.821 178.386 177.584 -0.033 0.000 1.797 234 A CA -0.225 51.798 52.037 -0.023 0.000 1.456 234 A CB -0.321 18.653 19.000 -0.043 0.000 1.057 234 A HN 0.551 nan 8.150 nan 0.000 0.602 235 D N 0.995 121.382 120.400 -0.021 0.000 2.084 235 D HA -0.073 4.567 4.640 -0.000 0.000 0.194 235 D C 0.798 177.086 176.300 -0.020 0.000 0.990 235 D CA 1.417 55.407 54.000 -0.017 0.000 0.826 235 D CB 0.133 40.926 40.800 -0.012 0.000 0.971 235 D HN 0.612 nan 8.370 nan 0.000 0.453 236 R N -0.512 119.982 120.500 -0.011 0.000 2.725 236 R HA 0.627 4.967 4.340 -0.000 0.000 0.277 236 R C -1.100 175.103 176.300 -0.161 0.000 0.987 236 R CA -0.799 55.297 56.100 -0.007 0.000 0.901 236 R CB 2.371 32.774 30.300 0.172 0.000 1.207 236 R HN -0.037 nan 8.270 nan 0.000 0.463 237 L N -1.827 119.098 121.223 -0.497 0.000 2.622 237 L HA 0.991 5.331 4.340 -0.000 0.000 0.258 237 L C -0.331 175.666 176.870 -1.455 0.000 0.996 237 L CA -0.543 53.658 54.840 -1.066 0.000 0.858 237 L CB 1.952 43.667 42.059 -0.573 0.000 1.449 237 L HN 0.743 nan 8.230 nan 0.000 0.411 238 G N 0.076 107.631 108.800 -2.076 0.000 2.435 238 G HA2 0.603 4.563 3.960 -0.000 0.000 0.296 238 G HA3 0.603 4.563 3.960 -0.000 0.000 0.296 238 G C -1.669 172.587 174.900 -1.073 0.000 1.240 238 G CA -0.115 44.235 45.100 -1.251 0.000 0.872 238 G HN 1.294 nan 8.290 nan 0.000 0.480 239 I N -2.556 117.796 120.570 -0.363 0.000 3.067 239 I HA 0.872 5.042 4.170 -0.000 0.000 0.312 239 I C -1.147 174.971 176.117 0.002 0.000 1.073 239 I CA -1.416 59.808 61.300 -0.126 0.000 1.016 239 I CB 2.202 40.173 38.000 -0.049 0.000 1.227 239 I HN 0.321 nan 8.210 nan 0.000 0.456 240 F N 0.573 120.671 119.950 0.247 0.000 2.432 240 F HA 0.516 5.043 4.527 -0.000 0.000 0.329 240 F C 1.060 176.888 175.800 0.047 0.000 1.076 240 F CA -0.398 57.679 58.000 0.130 0.000 1.018 240 F CB 2.100 41.127 39.000 0.045 0.000 1.201 240 F HN 0.511 nan 8.300 nan 0.000 0.489 241 T N 0.494 115.188 114.554 0.233 0.000 2.986 241 T HA 0.101 4.451 4.350 -0.000 0.000 0.264 241 T C -1.358 173.396 174.700 0.090 0.000 0.964 241 T CA -0.022 62.155 62.100 0.130 0.000 0.895 241 T CB -0.080 68.855 68.868 0.111 0.000 1.163 241 T HN 0.385 nan 8.240 nan 0.000 0.517 242 P HA 0.098 nan 4.420 nan 0.000 0.237 242 P C 0.257 177.652 177.300 0.159 0.000 1.178 242 P CA 0.358 63.503 63.100 0.075 0.000 0.766 242 P CB 0.060 31.741 31.700 -0.032 0.000 0.876 243 K N 1.105 121.582 120.400 0.128 0.000 2.485 243 K HA -0.009 4.311 4.320 -0.000 0.000 0.277 243 K C 0.611 177.330 176.600 0.199 0.000 0.990 243 K CA 0.203 56.569 56.287 0.132 0.000 0.994 243 K CB 0.266 32.815 32.500 0.083 0.000 0.906 243 K HN 0.119 nan 8.250 nan 0.000 0.488 244 Q N 3.170 123.071 119.800 0.169 0.000 2.369 244 Q HA 0.150 4.490 4.340 -0.000 0.000 0.247 244 Q C -1.164 174.914 176.000 0.130 0.000 1.083 244 Q CA -0.463 55.395 55.803 0.092 0.000 0.905 244 Q CB 0.547 29.237 28.738 -0.081 0.000 1.305 244 Q HN 0.248 nan 8.270 nan 0.000 0.465 245 V N 3.740 123.773 119.914 0.198 0.000 2.435 245 V HA 0.262 4.382 4.120 -0.000 0.000 0.290 245 V C -0.305 175.927 176.094 0.230 0.000 1.030 245 V CA -0.957 61.446 62.300 0.171 0.000 0.881 245 V CB 1.753 33.633 31.823 0.094 0.000 0.983 245 V HN 0.744 nan 8.190 nan 0.000 0.445 246 D N 3.211 123.727 120.400 0.193 0.000 2.344 246 D HA 0.522 5.162 4.640 -0.000 0.000 0.244 246 D C 0.122 176.378 176.300 -0.074 0.000 1.134 246 D CA -0.098 53.945 54.000 0.072 0.000 0.930 246 D CB 0.655 41.517 40.800 0.104 0.000 1.175 246 D HN 0.327 nan 8.370 nan 0.000 0.437 247 R N -0.046 120.335 120.500 -0.197 0.000 2.808 247 R HA 0.278 4.618 4.340 -0.000 0.000 0.272 247 R C 0.718 176.924 176.300 -0.156 0.000 0.995 247 R CA -0.571 55.431 56.100 -0.164 0.000 0.917 247 R CB 1.147 31.326 30.300 -0.201 0.000 1.217 247 R HN 0.504 nan 8.270 nan 0.000 0.471 248 T N -0.313 114.176 114.554 -0.109 0.000 2.904 248 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 248 T C 0.206 174.840 174.700 -0.110 0.000 1.059 248 T CA 1.405 63.449 62.100 -0.093 0.000 1.137 248 T CB 0.261 69.091 68.868 -0.063 0.000 0.879 248 T HN 0.635 nan 8.240 nan 0.000 0.467 249 E N -0.276 119.851 120.200 -0.122 0.000 2.375 249 E HA 0.419 4.769 4.350 -0.000 0.000 0.280 249 E C -1.767 174.752 176.600 -0.135 0.000 0.972 249 E CA -0.946 55.383 56.400 -0.119 0.000 0.782 249 E CB 0.902 30.553 29.700 -0.082 0.000 1.229 249 E HN 0.189 nan 8.360 nan 0.000 0.439 250 L N 3.065 124.206 121.223 -0.136 0.000 2.280 250 L HA 0.422 4.762 4.340 -0.000 0.000 0.287 250 L C 0.160 176.983 176.870 -0.078 0.000 1.023 250 L CA -0.628 54.139 54.840 -0.122 0.000 0.819 250 L CB 1.107 43.078 42.059 -0.146 0.000 1.212 250 L HN 0.578 nan 8.230 nan 0.000 0.420 251 K N 2.021 122.386 120.400 -0.059 0.000 2.210 251 K HA 0.366 4.686 4.320 -0.000 0.000 0.236 251 K C -0.415 176.171 176.600 -0.024 0.000 1.016 251 K CA -0.801 55.463 56.287 -0.038 0.000 0.913 251 K CB 1.387 33.868 32.500 -0.031 0.000 1.141 251 K HN 0.410 nan 8.250 nan 0.000 0.462 252 C N 1.134 120.426 119.300 -0.014 0.000 2.638 252 C HA 0.341 4.801 4.460 -0.000 0.000 0.410 252 C C 1.395 176.390 174.990 0.008 0.000 1.404 252 C CA 1.979 60.995 59.018 -0.003 0.000 1.651 252 C CB -1.819 25.921 27.740 0.000 0.000 2.495 252 C HN 1.045 nan 8.230 nan 0.000 0.606 253 G N 4.549 113.357 108.800 0.014 0.000 2.176 253 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.232 253 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.232 253 G C -0.122 174.797 174.900 0.031 0.000 0.986 253 G CA 0.195 45.313 45.100 0.029 0.000 0.643 253 G HN 0.770 nan 8.290 nan 0.000 0.522 254 E N -0.345 119.862 120.200 0.013 0.000 2.248 254 E HA 0.594 4.944 4.350 -0.000 0.000 0.272 254 E C -0.392 176.209 176.600 0.002 0.000 1.008 254 E CA -0.738 55.666 56.400 0.007 0.000 0.856 254 E CB 2.438 32.129 29.700 -0.016 0.000 1.120 254 E HN 0.101 nan 8.360 nan 0.000 0.397 255 V N 1.254 121.172 119.914 0.008 0.000 2.495 255 V HA 0.749 4.869 4.120 -0.000 0.000 0.298 255 V C 0.347 176.444 176.094 0.006 0.000 1.031 255 V CA -0.343 61.967 62.300 0.017 0.000 0.871 255 V CB 1.449 33.289 31.823 0.029 0.000 0.988 255 V HN 0.859 nan 8.190 nan 0.000 0.432 256 G N 3.159 111.964 108.800 0.007 0.000 2.554 256 G HA2 0.549 4.509 3.960 -0.000 0.000 0.306 256 G HA3 0.549 4.509 3.960 -0.000 0.000 0.306 256 G C -1.739 173.175 174.900 0.022 0.000 1.320 256 G CA -0.693 44.374 45.100 -0.055 0.000 0.800 256 G HN 0.789 nan 8.290 nan 0.000 0.481 257 W N -0.411 120.817 121.300 -0.120 0.000 2.627 257 W HA 0.816 5.476 4.660 -0.000 0.000 0.339 257 W C -1.863 174.579 176.519 -0.128 0.000 1.058 257 W CA -1.435 55.861 57.345 -0.082 0.000 1.223 257 W CB 1.524 30.913 29.460 -0.119 0.000 1.389 257 W HN 0.582 nan 8.180 nan 0.000 0.541 258 L N 3.205 124.497 121.223 0.115 0.000 2.409 258 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 258 L C -1.479 175.425 176.870 0.057 0.000 0.980 258 L CA -0.720 54.113 54.840 -0.011 0.000 0.826 258 L CB 2.043 44.053 42.059 -0.081 0.000 1.268 258 L HN 0.296 nan 8.230 nan 0.000 0.407 259 V N 4.798 124.767 119.914 0.091 0.000 2.284 259 V HA 0.386 4.506 4.120 -0.000 0.000 0.274 259 V C -0.356 175.713 176.094 -0.041 0.000 1.023 259 V CA -0.456 61.854 62.300 0.017 0.000 0.808 259 V CB 0.681 32.557 31.823 0.088 0.000 1.035 259 V HN 0.952 nan 8.190 nan 0.000 0.445 260 C N 2.235 121.476 119.300 -0.098 0.000 2.456 260 C HA 0.870 5.330 4.460 -0.000 0.000 0.325 260 C C 1.017 175.918 174.990 -0.148 0.000 1.217 260 C CA -1.041 57.927 59.018 -0.085 0.000 1.687 260 C CB 1.085 28.795 27.740 -0.049 0.000 2.270 260 C HN 0.889 nan 8.230 nan 0.000 0.499 261 A N 2.710 125.490 122.820 -0.067 0.000 3.065 261 A HA 0.364 4.684 4.320 -0.000 0.000 0.262 261 A C 0.338 177.872 177.584 -0.082 0.000 1.901 261 A CA 0.013 52.015 52.037 -0.059 0.000 1.475 261 A CB -1.097 17.906 19.000 0.004 0.000 0.984 261 A HN 0.813 nan 8.150 nan 0.000 0.618 262 I N 1.497 121.882 120.570 -0.308 0.000 2.588 262 I HA -0.005 4.165 4.170 -0.000 0.000 0.283 262 I C 1.326 177.389 176.117 -0.090 0.000 1.119 262 I CA -0.522 60.521 61.300 -0.428 0.000 1.419 262 I CB 0.869 38.490 38.000 -0.632 0.000 1.394 262 I HN 0.533 nan 8.210 nan 0.000 0.562 263 K N 4.483 124.902 120.400 0.031 0.000 1.971 263 K HA -0.168 4.152 4.320 -0.000 0.000 0.221 263 K C 0.082 176.739 176.600 0.095 0.000 1.050 263 K CA 1.614 57.952 56.287 0.085 0.000 0.967 263 K CB -0.500 32.063 32.500 0.105 0.000 0.733 263 K HN 0.791 nan 8.250 nan 0.000 0.445 264 D N -1.350 119.103 120.400 0.087 0.000 2.566 264 D HA 0.184 4.824 4.640 -0.000 0.000 0.254 264 D C 0.932 177.272 176.300 0.067 0.000 1.090 264 D CA -0.739 53.320 54.000 0.099 0.000 1.034 264 D CB 0.470 41.341 40.800 0.118 0.000 1.434 264 D HN 0.152 nan 8.370 nan 0.000 0.509 265 I N -2.563 118.019 120.570 0.020 0.000 3.083 265 I HA -0.073 4.097 4.170 -0.000 0.000 0.273 265 I C 0.757 176.802 176.117 -0.120 0.000 1.297 265 I CA 0.712 61.975 61.300 -0.063 0.000 1.452 265 I CB -0.440 37.520 38.000 -0.066 0.000 1.078 265 I HN 0.271 nan 8.210 nan 0.000 0.484 266 H N 1.540 120.645 119.070 0.058 0.000 2.529 266 H HA 0.153 4.709 4.556 -0.000 0.000 0.277 266 H C 2.283 177.655 175.328 0.074 0.000 0.999 266 H CA 1.096 57.186 56.048 0.070 0.000 1.256 266 H CB 0.131 29.928 29.762 0.059 0.000 1.402 266 H HN 0.562 nan 8.280 nan 0.000 0.566 267 G N 0.280 109.170 108.800 0.150 0.000 2.572 267 G HA2 0.101 4.061 3.960 -0.000 0.000 0.216 267 G HA3 0.101 4.061 3.960 -0.000 0.000 0.216 267 G C 0.694 175.629 174.900 0.060 0.000 1.133 267 G CA 0.547 45.716 45.100 0.116 0.000 0.791 267 G HN 0.368 nan 8.290 nan 0.000 0.538 268 A N 0.864 123.696 122.820 0.019 0.000 2.978 268 A HA 0.699 5.019 4.320 -0.000 0.000 0.341 268 A C -2.806 174.815 177.584 0.062 0.000 1.105 268 A CA -1.192 50.847 52.037 0.004 0.000 0.819 268 A CB 1.260 20.211 19.000 -0.080 0.000 1.080 268 A HN 0.075 nan 8.150 nan 0.000 0.476 269 P HA 0.155 nan 4.420 nan 0.000 0.275 269 P C 0.386 177.850 177.300 0.272 0.000 1.228 269 P CA -0.156 63.084 63.100 0.232 0.000 0.786 269 P CB 1.083 33.018 31.700 0.391 0.000 0.927 270 V N 2.870 122.945 119.914 0.268 0.000 2.529 270 V HA 0.361 4.481 4.120 -0.000 0.000 0.292 270 V C 1.278 177.612 176.094 0.400 0.000 1.028 270 V CA 1.819 64.273 62.300 0.257 0.000 1.074 270 V CB -0.599 31.343 31.823 0.200 0.000 0.958 270 V HN 0.966 nan 8.190 nan 0.000 0.481 271 G N 4.136 113.114 108.800 0.296 0.000 2.232 271 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.226 271 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.226 271 G C 0.250 175.449 174.900 0.498 0.000 0.996 271 G CA 0.241 45.578 45.100 0.395 0.000 0.626 271 G HN 0.886 nan 8.290 nan 0.000 0.509 272 D N 1.137 121.759 120.400 0.372 0.000 2.363 272 D HA 0.526 5.166 4.640 -0.000 0.000 0.240 272 D C 0.826 177.095 176.300 -0.051 0.000 1.236 272 D CA 1.257 55.179 54.000 -0.129 0.000 0.927 272 D CB 1.075 41.757 40.800 -0.197 0.000 1.150 272 D HN 0.502 nan 8.370 nan 0.000 0.458 273 T N -0.216 114.265 114.554 -0.121 0.000 2.876 273 T HA 0.555 4.905 4.350 -0.000 0.000 0.289 273 T C -0.516 174.155 174.700 -0.048 0.000 1.014 273 T CA -0.891 61.178 62.100 -0.052 0.000 0.986 273 T CB 0.566 69.412 68.868 -0.037 0.000 1.021 273 T HN 0.226 nan 8.240 nan 0.000 0.458 274 L N 3.419 124.628 121.223 -0.023 0.000 2.272 274 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 274 L C 0.660 177.521 176.870 -0.015 0.000 1.032 274 L CA -0.663 54.167 54.840 -0.015 0.000 0.810 274 L CB 1.682 43.735 42.059 -0.010 0.000 1.205 274 L HN 0.818 nan 8.230 nan 0.000 0.422 275 T N 3.450 117.996 114.554 -0.014 0.000 2.926 275 T HA 0.589 4.939 4.350 -0.000 0.000 0.289 275 T C -0.297 174.396 174.700 -0.011 0.000 1.054 275 T CA -0.554 61.537 62.100 -0.014 0.000 1.015 275 T CB 1.130 69.988 68.868 -0.017 0.000 1.167 275 T HN 0.297 nan 8.240 nan 0.000 0.526 276 L N 2.472 123.687 121.223 -0.014 0.000 2.395 276 L HA 0.444 4.784 4.340 -0.000 0.000 0.269 276 L C 1.688 178.549 176.870 -0.016 0.000 1.133 276 L CA -0.590 54.242 54.840 -0.014 0.000 0.812 276 L CB 1.094 43.144 42.059 -0.016 0.000 1.125 276 L HN 0.934 nan 8.230 nan 0.000 0.452 277 A N 3.604 126.414 122.820 -0.018 0.000 1.898 277 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 277 A C 2.173 179.744 177.584 -0.021 0.000 1.181 277 A CA 1.294 53.317 52.037 -0.023 0.000 0.620 277 A CB -0.374 18.609 19.000 -0.029 0.000 0.819 277 A HN 0.906 nan 8.150 nan 0.000 0.442 278 R N -0.879 119.609 120.500 -0.019 0.000 2.189 278 R HA -0.056 4.284 4.340 -0.000 0.000 0.218 278 R C 0.023 176.314 176.300 -0.015 0.000 1.074 278 R CA 1.653 57.742 56.100 -0.017 0.000 0.991 278 R CB -0.325 29.966 30.300 -0.016 0.000 0.883 278 R HN 0.393 nan 8.270 nan 0.000 0.457 279 N N 1.384 120.075 118.700 -0.015 0.000 2.726 279 N HA 0.259 4.999 4.740 -0.000 0.000 0.253 279 N C -2.829 172.673 175.510 -0.013 0.000 1.530 279 N CA -2.208 50.835 53.050 -0.013 0.000 0.772 279 N CB 1.399 39.879 38.487 -0.012 0.000 1.220 279 N HN 0.047 nan 8.380 nan 0.000 0.508 280 P HA 0.211 nan 4.420 nan 0.000 0.276 280 P C -0.352 176.941 177.300 -0.012 0.000 1.230 280 P CA -0.328 62.763 63.100 -0.015 0.000 0.776 280 P CB 0.948 32.637 31.700 -0.017 0.000 0.888 281 A N 2.906 125.719 122.820 -0.012 0.000 2.511 281 A HA -0.024 4.296 4.320 -0.000 0.000 0.242 281 A C 1.559 179.138 177.584 -0.008 0.000 1.069 281 A CA -0.043 51.989 52.037 -0.009 0.000 0.763 281 A CB -0.388 18.607 19.000 -0.008 0.000 1.001 281 A HN 0.709 nan 8.150 nan 0.000 0.498 282 E N 1.367 121.564 120.200 -0.004 0.000 2.072 282 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 282 E C 0.535 177.135 176.600 -0.000 0.000 0.985 282 E CA 1.199 57.597 56.400 -0.002 0.000 0.801 282 E CB 0.054 29.755 29.700 0.001 0.000 0.750 282 E HN 0.593 nan 8.360 nan 0.000 0.452 283 K N -0.151 120.250 120.400 0.002 0.000 2.376 283 K HA 0.453 4.773 4.320 -0.000 0.000 0.257 283 K C -1.349 175.254 176.600 0.004 0.000 0.939 283 K CA -0.539 55.752 56.287 0.007 0.000 0.809 283 K CB 1.753 34.262 32.500 0.015 0.000 1.121 283 K HN 0.094 nan 8.250 nan 0.000 0.425 284 A N 4.102 126.922 122.820 -0.001 0.000 2.445 284 A HA 0.214 4.534 4.320 -0.000 0.000 0.242 284 A C 0.007 177.603 177.584 0.019 0.000 1.075 284 A CA -0.336 51.695 52.037 -0.010 0.000 0.777 284 A CB 0.042 19.015 19.000 -0.044 0.000 1.013 284 A HN 0.828 nan 8.150 nan 0.000 0.493 285 L N 2.323 123.559 121.223 0.022 0.000 2.529 285 L HA 0.095 4.435 4.340 -0.000 0.000 0.287 285 L C -1.652 175.268 176.870 0.082 0.000 1.241 285 L CA -0.908 53.960 54.840 0.047 0.000 0.857 285 L CB -0.076 42.010 42.059 0.045 0.000 1.113 285 L HN 0.535 nan 8.230 nan 0.000 0.504 286 P HA 0.209 nan 4.420 nan 0.000 0.274 286 P C 0.488 177.869 177.300 0.135 0.000 1.231 286 P CA 0.060 63.220 63.100 0.101 0.000 0.790 286 P CB 0.982 32.728 31.700 0.076 0.000 0.951 287 G N 0.357 109.252 108.800 0.159 0.000 2.157 287 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.239 287 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.239 287 G C -0.112 174.949 174.900 0.269 0.000 0.982 287 G CA -0.373 44.832 45.100 0.176 0.000 0.650 287 G HN 0.558 nan 8.290 nan 0.000 0.527 288 F N 2.486 122.526 119.950 0.149 0.000 2.484 288 F HA 0.569 5.096 4.527 -0.000 0.000 0.360 288 F C 0.652 176.537 175.800 0.142 0.000 1.101 288 F CA 0.482 58.598 58.000 0.194 0.000 1.251 288 F CB 0.587 39.662 39.000 0.125 0.000 1.132 288 F HN 0.352 nan 8.300 nan 0.000 0.570 289 K N 4.627 124.503 120.400 -0.873 0.000 2.572 289 K HA 0.273 4.593 4.320 -0.000 0.000 0.263 289 K C -1.797 174.112 176.600 -1.151 0.000 0.932 289 K CA -1.273 54.462 56.287 -0.921 0.000 0.838 289 K CB 1.399 33.617 32.500 -0.469 0.000 1.366 289 K HN 0.301 nan 8.250 nan 0.000 0.425 290 K N 2.710 122.635 120.400 -0.792 0.000 2.250 290 K HA 0.189 4.509 4.320 -0.000 0.000 0.285 290 K C -0.701 175.640 176.600 -0.432 0.000 1.097 290 K CA -0.486 55.502 56.287 -0.499 0.000 0.913 290 K CB 0.712 33.081 32.500 -0.218 0.000 1.179 290 K HN 0.566 nan 8.250 nan 0.000 0.462 291 V N 5.434 125.042 119.914 -0.509 0.000 2.572 291 V HA 0.067 4.187 4.120 -0.000 0.000 0.291 291 V C 0.740 176.693 176.094 -0.234 0.000 1.039 291 V CA -0.053 62.004 62.300 -0.405 0.000 1.055 291 V CB 0.518 32.077 31.823 -0.440 0.000 0.969 291 V HN 0.518 nan 8.190 nan 0.000 0.482 292 K N 6.431 126.704 120.400 -0.212 0.000 2.172 292 K HA 0.377 4.697 4.320 -0.000 0.000 0.276 292 K C -2.361 174.152 176.600 -0.144 0.000 1.013 292 K CA -1.621 54.564 56.287 -0.170 0.000 0.913 292 K CB 0.862 33.256 32.500 -0.176 0.000 1.055 292 K HN 0.444 nan 8.250 nan 0.000 0.461 293 P HA -0.110 nan 4.420 nan 0.000 0.258 293 P C -0.143 177.047 177.300 -0.184 0.000 1.187 293 P CA 0.470 63.433 63.100 -0.228 0.000 0.767 293 P CB 0.664 32.083 31.700 -0.469 0.000 0.770 294 Q N 2.852 122.596 119.800 -0.094 0.000 2.354 294 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 294 Q C -0.316 175.729 176.000 0.076 0.000 0.933 294 Q CA 0.748 56.552 55.803 0.001 0.000 0.901 294 Q CB 0.417 29.160 28.738 0.008 0.000 1.007 294 Q HN 0.252 nan 8.270 nan 0.000 0.495 295 V N 1.154 121.080 119.914 0.021 0.000 2.709 295 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 295 V C -1.435 174.690 176.094 0.051 0.000 1.062 295 V CA -0.852 61.539 62.300 0.151 0.000 0.901 295 V CB 1.583 33.534 31.823 0.213 0.000 1.003 295 V HN 0.147 nan 8.190 nan 0.000 0.425 296 Y N 1.954 122.401 120.300 0.245 0.000 2.485 296 Y HA 0.871 5.421 4.550 -0.000 0.000 0.345 296 Y C 0.278 176.351 175.900 0.289 0.000 0.998 296 Y CA -0.645 57.605 58.100 0.249 0.000 1.059 296 Y CB 2.406 40.982 38.460 0.194 0.000 1.234 296 Y HN 0.815 nan 8.280 nan 0.000 0.461 297 A N 0.792 123.885 122.820 0.455 0.000 2.604 297 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 297 A C -0.840 176.935 177.584 0.319 0.000 1.067 297 A CA -0.394 51.871 52.037 0.380 0.000 0.683 297 A CB 0.906 20.127 19.000 0.367 0.000 1.281 297 A HN 0.930 nan 8.150 nan 0.000 0.407 298 G N 0.049 109.017 108.800 0.280 0.000 2.356 298 G HA2 0.578 4.538 3.960 -0.000 0.000 0.298 298 G HA3 0.578 4.538 3.960 -0.000 0.000 0.298 298 G C -0.870 174.038 174.900 0.013 0.000 1.145 298 G CA -0.356 44.824 45.100 0.133 0.000 0.850 298 G HN 0.681 nan 8.290 nan 0.000 0.487 299 L N 1.548 122.595 121.223 -0.294 0.000 2.376 299 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 299 L C -1.160 175.527 176.870 -0.305 0.000 0.987 299 L CA -0.533 54.256 54.840 -0.085 0.000 0.828 299 L CB 1.759 43.959 42.059 0.235 0.000 1.249 299 L HN 0.405 nan 8.230 nan 0.000 0.409 300 F N 3.125 123.206 119.950 0.218 0.000 2.529 300 F HA 0.534 5.061 4.527 -0.000 0.000 0.320 300 F C -2.257 173.599 175.800 0.094 0.000 1.118 300 F CA -2.580 55.549 58.000 0.214 0.000 0.915 300 F CB 1.557 40.642 39.000 0.142 0.000 1.161 300 F HN 0.225 nan 8.300 nan 0.000 0.445 301 P HA 0.053 nan 4.420 nan 0.000 0.268 301 P C 0.844 178.235 177.300 0.151 0.000 1.205 301 P CA 0.023 63.207 63.100 0.140 0.000 0.771 301 P CB 0.923 32.762 31.700 0.232 0.000 0.858 302 V N 1.402 121.367 119.914 0.085 0.000 2.295 302 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 302 V C 1.282 177.426 176.094 0.084 0.000 1.049 302 V CA 2.041 64.386 62.300 0.075 0.000 1.024 302 V CB -0.489 31.361 31.823 0.046 0.000 0.648 302 V HN 0.610 nan 8.190 nan 0.000 0.447 303 S N -0.525 115.227 115.700 0.087 0.000 2.437 303 S HA 0.236 4.706 4.470 -0.000 0.000 0.305 303 S C 1.329 176.012 174.600 0.137 0.000 1.109 303 S CA -0.031 58.226 58.200 0.094 0.000 1.099 303 S CB 1.511 64.755 63.200 0.074 0.000 1.004 303 S HN 0.558 nan 8.310 nan 0.000 0.475 304 S N 3.480 119.267 115.700 0.144 0.000 2.440 304 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 304 S C 0.985 175.702 174.600 0.193 0.000 1.010 304 S CA 1.277 59.588 58.200 0.185 0.000 0.972 304 S CB -0.441 62.850 63.200 0.152 0.000 0.774 304 S HN 0.773 nan 8.310 nan 0.000 0.501 305 D N 1.886 122.373 120.400 0.144 0.000 2.264 305 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 305 D C 1.156 177.547 176.300 0.151 0.000 0.966 305 D CA 0.827 54.906 54.000 0.130 0.000 0.864 305 D CB -0.391 40.462 40.800 0.090 0.000 0.933 305 D HN 0.435 nan 8.370 nan 0.000 0.499 306 D N -0.663 119.837 120.400 0.166 0.000 2.317 306 D HA -0.124 4.516 4.640 -0.000 0.000 0.211 306 D C 1.696 178.141 176.300 0.242 0.000 0.966 306 D CA 0.148 54.245 54.000 0.162 0.000 0.876 306 D CB -0.198 40.671 40.800 0.116 0.000 0.927 306 D HN 0.306 nan 8.370 nan 0.000 0.519 307 Y N 2.502 122.918 120.300 0.194 0.000 2.151 307 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 307 Y C 1.999 178.030 175.900 0.219 0.000 1.166 307 Y CA 1.705 59.962 58.100 0.261 0.000 1.163 307 Y CB 0.141 38.717 38.460 0.192 0.000 0.974 307 Y HN -0.115 nan 8.280 nan 0.000 0.511 308 E N 0.385 120.666 120.200 0.135 0.000 2.038 308 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 308 E C 2.481 179.054 176.600 -0.045 0.000 1.000 308 E CA 1.332 57.742 56.400 0.016 0.000 0.803 308 E CB -0.973 28.773 29.700 0.077 0.000 0.750 308 E HN 0.583 nan 8.360 nan 0.000 0.448 309 A N 1.284 124.121 122.820 0.028 0.000 1.933 309 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 309 A C 2.041 179.626 177.584 0.001 0.000 1.175 309 A CA 1.279 53.329 52.037 0.022 0.000 0.628 309 A CB -0.707 18.335 19.000 0.070 0.000 0.814 309 A HN 0.241 nan 8.150 nan 0.000 0.444 310 F N 0.718 120.571 119.950 -0.161 0.000 2.146 310 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 310 F C 2.257 177.804 175.800 -0.422 0.000 1.096 310 F CA 1.572 59.438 58.000 -0.223 0.000 1.275 310 F CB -0.651 38.312 39.000 -0.062 0.000 1.008 310 F HN 0.258 nan 8.300 nan 0.000 0.480 311 R N 0.208 120.411 120.500 -0.494 0.000 2.081 311 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 311 R C 1.855 177.828 176.300 -0.545 0.000 1.131 311 R CA 1.988 57.668 56.100 -0.699 0.000 0.960 311 R CB -0.418 29.632 30.300 -0.416 0.000 0.856 311 R HN 0.201 nan 8.270 nan 0.000 0.436 312 D N 0.005 120.199 120.400 -0.344 0.000 2.183 312 D HA -0.078 4.562 4.640 -0.000 0.000 0.203 312 D C 1.628 177.711 176.300 -0.362 0.000 0.969 312 D CA 1.284 55.124 54.000 -0.267 0.000 0.842 312 D CB -0.084 40.627 40.800 -0.148 0.000 0.957 312 D HN 0.385 nan 8.370 nan 0.000 0.484 313 A N 0.584 123.114 122.820 -0.483 0.000 1.929 313 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 313 A C 2.338 179.493 177.584 -0.716 0.000 1.176 313 A CA 0.613 52.156 52.037 -0.824 0.000 0.628 313 A CB -0.639 17.788 19.000 -0.954 0.000 0.816 313 A HN 0.163 nan 8.150 nan 0.000 0.444 314 L N -0.604 120.167 121.223 -0.753 0.000 2.046 314 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 314 L C 2.843 179.323 176.870 -0.649 0.000 1.077 314 L CA 1.092 55.365 54.840 -0.944 0.000 0.747 314 L CB -0.756 40.197 42.059 -1.844 0.000 0.896 314 L HN 0.486 nan 8.230 nan 0.000 0.432 315 G N -0.065 108.446 108.800 -0.482 0.000 2.440 315 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 315 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 315 G C 1.682 176.483 174.900 -0.164 0.000 1.154 315 G CA 0.772 45.752 45.100 -0.200 0.000 0.767 315 G HN 0.298 nan 8.290 nan 0.000 0.552 316 K N -0.585 119.694 120.400 -0.203 0.000 2.026 316 K HA -0.001 4.319 4.320 -0.000 0.000 0.208 316 K C 2.406 178.975 176.600 -0.050 0.000 1.048 316 K CA 0.801 57.026 56.287 -0.104 0.000 0.929 316 K CB -0.298 32.170 32.500 -0.054 0.000 0.713 316 K HN 0.134 nan 8.250 nan 0.000 0.439 317 L N 0.965 122.132 121.223 -0.094 0.000 2.127 317 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 317 L C 2.265 179.144 176.870 0.014 0.000 1.089 317 L CA 1.545 56.374 54.840 -0.018 0.000 0.757 317 L CB -0.823 41.199 42.059 -0.062 0.000 0.899 317 L HN 0.063 nan 8.230 nan 0.000 0.434 318 S N -1.136 114.562 115.700 -0.004 0.000 2.453 318 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 318 S C 1.911 176.542 174.600 0.052 0.000 1.005 318 S CA 0.486 58.735 58.200 0.081 0.000 0.949 318 S CB -0.142 63.151 63.200 0.156 0.000 0.774 318 S HN 0.351 nan 8.310 nan 0.000 0.510 319 L N 0.624 121.834 121.223 -0.021 0.000 2.275 319 L HA -0.009 4.331 4.340 -0.000 0.000 0.215 319 L C 1.396 178.286 176.870 0.034 0.000 1.119 319 L CA 1.058 55.847 54.840 -0.085 0.000 0.790 319 L CB -0.305 41.604 42.059 -0.249 0.000 0.919 319 L HN 0.274 nan 8.230 nan 0.000 0.443 320 N N -2.263 116.482 118.700 0.075 0.000 2.159 320 N HA 0.026 4.766 4.740 -0.000 0.000 0.217 320 N C -0.262 175.306 175.510 0.097 0.000 1.223 320 N CA -0.068 53.055 53.050 0.122 0.000 0.896 320 N CB 0.848 39.420 38.487 0.143 0.000 1.064 320 N HN 0.012 nan 8.380 nan 0.000 0.518 321 D N 0.343 120.797 120.400 0.090 0.000 2.441 321 D HA 0.324 4.964 4.640 -0.000 0.000 0.231 321 D C 0.321 176.681 176.300 0.099 0.000 1.073 321 D CA -0.258 53.817 54.000 0.126 0.000 0.850 321 D CB 1.523 42.437 40.800 0.189 0.000 1.062 321 D HN 0.150 nan 8.370 nan 0.000 0.524 322 A N 2.373 125.217 122.820 0.039 0.000 2.016 322 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 322 A C 1.696 179.379 177.584 0.164 0.000 1.162 322 A CA 1.129 53.133 52.037 -0.056 0.000 0.662 322 A CB 0.119 19.071 19.000 -0.079 0.000 0.812 322 A HN 0.499 nan 8.150 nan 0.000 0.450 323 S N -1.065 114.734 115.700 0.166 0.000 2.524 323 S HA 0.316 4.786 4.470 -0.000 0.000 0.215 323 S C 0.459 175.197 174.600 0.229 0.000 0.986 323 S CA -0.433 57.859 58.200 0.154 0.000 0.911 323 S CB -0.410 62.822 63.200 0.054 0.000 0.805 323 S HN 0.409 nan 8.310 nan 0.000 0.501 324 L N 2.667 124.074 121.223 0.306 0.000 2.477 324 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 324 L C -0.779 176.215 176.870 0.206 0.000 1.157 324 L CA -0.311 54.684 54.840 0.260 0.000 0.889 324 L CB 0.411 42.604 42.059 0.223 0.000 1.158 324 L HN 0.354 nan 8.230 nan 0.000 0.473 325 F N 7.025 126.928 119.950 -0.077 0.000 2.495 325 F HA 0.572 5.099 4.527 -0.000 0.000 0.327 325 F C -0.939 174.829 175.800 -0.054 0.000 1.103 325 F CA -0.661 57.285 58.000 -0.091 0.000 0.949 325 F CB 1.175 40.110 39.000 -0.108 0.000 1.142 325 F HN 0.389 nan 8.300 nan 0.000 0.457 326 Y N 3.052 122.787 120.300 -0.941 0.000 2.544 326 Y HA 0.664 5.214 4.550 -0.000 0.000 0.342 326 Y C -1.687 173.725 175.900 -0.813 0.000 1.062 326 Y CA -1.252 56.358 58.100 -0.816 0.000 1.023 326 Y CB 1.364 39.495 38.460 -0.549 0.000 1.308 326 Y HN 0.748 nan 8.280 nan 0.000 0.457 327 E N 4.087 124.095 120.200 -0.321 0.000 2.352 327 E HA 0.468 4.818 4.350 -0.000 0.000 0.280 327 E C -3.304 173.406 176.600 0.182 0.000 0.930 327 E CA -2.501 53.806 56.400 -0.156 0.000 0.765 327 E CB 3.168 32.732 29.700 -0.227 0.000 1.219 327 E HN 0.431 nan 8.360 nan 0.000 0.434 328 P HA 0.117 nan 4.420 nan 0.000 0.271 328 P C -0.921 176.390 177.300 0.018 0.000 1.218 328 P CA 0.212 63.323 63.100 0.018 0.000 0.780 328 P CB 0.902 32.633 31.700 0.052 0.000 0.901 329 E N 0.637 120.824 120.200 -0.021 0.000 2.372 329 E HA 0.437 4.787 4.350 -0.000 0.000 0.279 329 E C -1.448 175.247 176.600 0.158 0.000 0.946 329 E CA -0.645 55.815 56.400 0.101 0.000 0.769 329 E CB 1.825 31.629 29.700 0.173 0.000 1.230 329 E HN 0.473 nan 8.360 nan 0.000 0.442 330 S N 1.453 117.200 115.700 0.078 0.000 2.548 330 S HA 0.770 5.240 4.470 -0.000 0.000 0.286 330 S C -0.924 173.578 174.600 -0.162 0.000 1.098 330 S CA -0.602 57.530 58.200 -0.114 0.000 0.930 330 S CB 1.943 64.891 63.200 -0.419 0.000 1.070 330 S HN 0.268 nan 8.310 nan 0.000 0.480 331 S N 1.345 116.869 115.700 -0.293 0.000 2.600 331 S HA 0.515 4.985 4.470 -0.000 0.000 0.300 331 S C 1.084 175.502 174.600 -0.304 0.000 1.087 331 S CA -0.714 57.312 58.200 -0.289 0.000 0.965 331 S CB 1.824 64.796 63.200 -0.380 0.000 1.089 331 S HN 0.829 nan 8.310 nan 0.000 0.496 332 S N 1.649 117.216 115.700 -0.220 0.000 2.355 332 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 332 S C 1.925 176.422 174.600 -0.172 0.000 1.031 332 S CA 0.999 59.089 58.200 -0.184 0.000 0.993 332 S CB -0.583 62.539 63.200 -0.129 0.000 0.859 332 S HN 0.787 nan 8.310 nan 0.000 0.453 333 A N 1.419 124.137 122.820 -0.170 0.000 1.874 333 A HA 0.291 4.611 4.320 -0.000 0.000 0.214 333 A C 2.190 179.671 177.584 -0.172 0.000 1.189 333 A CA 0.791 52.743 52.037 -0.142 0.000 0.615 333 A CB -0.634 18.291 19.000 -0.125 0.000 0.830 333 A HN 0.420 nan 8.150 nan 0.000 0.443 334 L N -1.511 119.543 121.223 -0.282 0.000 2.270 334 L HA 0.287 4.627 4.340 -0.000 0.000 0.210 334 L C 1.433 178.163 176.870 -0.234 0.000 1.104 334 L CA 0.569 55.199 54.840 -0.351 0.000 0.804 334 L CB -0.498 41.087 42.059 -0.791 0.000 0.937 334 L HN 0.690 nan 8.230 nan 0.000 0.450 335 G N -0.572 108.073 108.800 -0.258 0.000 2.526 335 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.250 335 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.250 335 G C -0.748 174.042 174.900 -0.183 0.000 1.289 335 G CA -0.849 44.136 45.100 -0.192 0.000 0.947 335 G HN -0.088 nan 8.290 nan 0.000 0.517 336 F N 1.992 121.952 119.950 0.017 0.000 2.424 336 F HA 0.593 5.120 4.527 -0.000 0.000 0.356 336 F C 1.280 177.192 175.800 0.188 0.000 1.110 336 F CA 1.184 59.140 58.000 -0.073 0.000 1.161 336 F CB 1.431 40.086 39.000 -0.575 0.000 1.115 336 F HN 0.892 nan 8.300 nan 0.000 0.507 337 G N 2.151 111.156 108.800 0.343 0.000 2.976 337 G HA2 0.696 4.656 3.960 -0.000 0.000 0.276 337 G HA3 0.696 4.656 3.960 -0.000 0.000 0.276 337 G C -2.002 172.612 174.900 -0.477 0.000 1.207 337 G CA -0.656 44.500 45.100 0.092 0.000 0.803 337 G HN 0.249 nan 8.290 nan 0.000 0.572 338 F N -0.007 119.823 119.950 -0.200 0.000 2.561 338 F HA 0.583 5.110 4.527 -0.000 0.000 0.313 338 F C 0.329 176.023 175.800 -0.177 0.000 1.126 338 F CA -0.726 57.172 58.000 -0.169 0.000 0.918 338 F CB 2.511 41.325 39.000 -0.309 0.000 1.199 338 F HN 0.245 nan 8.300 nan 0.000 0.444 339 R N 2.534 123.098 120.500 0.107 0.000 2.265 339 R HA 0.639 4.979 4.340 -0.000 0.000 0.314 339 R C -1.515 174.863 176.300 0.129 0.000 1.053 339 R CA -0.078 56.108 56.100 0.143 0.000 0.931 339 R CB 0.499 30.917 30.300 0.197 0.000 1.024 339 R HN 0.783 nan 8.270 nan 0.000 0.457 340 C N 2.960 122.344 119.300 0.139 0.000 2.455 340 C HA 0.623 5.083 4.460 -0.000 0.000 0.320 340 C C 0.479 175.324 174.990 -0.243 0.000 1.226 340 C CA -0.699 58.257 59.018 -0.103 0.000 1.569 340 C CB 1.529 29.148 27.740 -0.201 0.000 2.200 340 C HN 0.947 nan 8.230 nan 0.000 0.491 341 G N 1.569 110.143 108.800 -0.377 0.000 2.388 341 G HA2 0.783 4.743 3.960 -0.000 0.000 0.330 341 G HA3 0.783 4.743 3.960 -0.000 0.000 0.330 341 G C -1.280 173.133 174.900 -0.811 0.000 1.142 341 G CA -0.050 44.663 45.100 -0.644 0.000 0.908 341 G HN 0.507 nan 8.290 nan 0.000 0.473 342 F N 0.077 119.968 119.950 -0.099 0.000 2.613 342 F HA 0.393 4.920 4.527 -0.000 0.000 0.314 342 F C 1.110 176.972 175.800 0.103 0.000 1.075 342 F CA -0.940 57.164 58.000 0.174 0.000 0.945 342 F CB 2.030 41.101 39.000 0.119 0.000 1.310 342 F HN 0.278 nan 8.300 nan 0.000 0.467 343 L N 1.008 122.451 121.223 0.367 0.000 2.093 343 L HA 0.180 4.520 4.340 -0.000 0.000 0.208 343 L C 1.170 178.067 176.870 0.045 0.000 1.085 343 L CA 1.404 56.253 54.840 0.015 0.000 0.755 343 L CB -0.497 41.410 42.059 -0.253 0.000 0.904 343 L HN 0.851 nan 8.230 nan 0.000 0.435 344 G N -2.640 106.235 108.800 0.126 0.000 2.435 344 G HA2 0.186 4.146 3.960 -0.000 0.000 0.296 344 G HA3 0.186 4.146 3.960 -0.000 0.000 0.296 344 G C -0.056 174.892 174.900 0.079 0.000 1.240 344 G CA -0.579 44.587 45.100 0.110 0.000 0.872 344 G HN -0.160 nan 8.290 nan 0.000 0.480 345 L N 0.643 121.908 121.223 0.069 0.000 1.976 345 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 345 L C 2.920 179.719 176.870 -0.118 0.000 1.071 345 L CA 1.574 56.406 54.840 -0.012 0.000 0.746 345 L CB -0.350 41.725 42.059 0.027 0.000 0.890 345 L HN 0.555 nan 8.230 nan 0.000 0.432 346 L N -2.550 118.555 121.223 -0.197 0.000 2.291 346 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 346 L C 2.313 179.120 176.870 -0.104 0.000 1.120 346 L CA 1.677 56.391 54.840 -0.210 0.000 0.799 346 L CB -2.325 39.525 42.059 -0.348 0.000 0.925 346 L HN 0.298 nan 8.230 nan 0.000 0.446 347 H N 0.813 119.763 119.070 -0.200 0.000 2.293 347 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 347 H C 2.379 177.626 175.328 -0.135 0.000 1.082 347 H CA 2.530 58.559 56.048 -0.032 0.000 1.308 347 H CB -0.139 29.652 29.762 0.048 0.000 1.375 347 H HN 0.296 nan 8.280 nan 0.000 0.495 348 M N 0.019 119.332 119.600 -0.478 0.000 2.108 348 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 348 M C 1.826 177.783 176.300 -0.571 0.000 1.066 348 M CA 2.106 56.721 55.300 -1.142 0.000 1.107 348 M CB -0.017 31.945 32.600 -1.063 0.000 1.356 348 M HN 0.392 nan 8.290 nan 0.000 0.406 349 E N 0.119 120.140 120.200 -0.298 0.000 2.208 349 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 349 E C 1.864 178.400 176.600 -0.107 0.000 0.988 349 E CA 1.160 57.462 56.400 -0.163 0.000 0.828 349 E CB -0.082 29.562 29.700 -0.092 0.000 0.763 349 E HN 0.581 nan 8.360 nan 0.000 0.478 350 I N 0.681 121.200 120.570 -0.085 0.000 2.163 350 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 350 I C 2.216 178.313 176.117 -0.033 0.000 1.081 350 I CA 1.079 62.367 61.300 -0.020 0.000 1.353 350 I CB -0.114 37.927 38.000 0.069 0.000 1.054 350 I HN 0.090 nan 8.210 nan 0.000 0.407 351 I N 0.202 120.722 120.570 -0.083 0.000 2.163 351 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 351 I C 2.640 178.750 176.117 -0.013 0.000 1.085 351 I CA 1.566 62.848 61.300 -0.030 0.000 1.347 351 I CB -0.371 37.626 38.000 -0.004 0.000 1.044 351 I HN 0.273 nan 8.210 nan 0.000 0.408 352 Q N 0.017 119.769 119.800 -0.080 0.000 2.061 352 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 352 Q C 2.300 178.285 176.000 -0.025 0.000 0.984 352 Q CA 1.667 57.437 55.803 -0.054 0.000 0.846 352 Q CB -0.203 28.480 28.738 -0.092 0.000 0.902 352 Q HN 0.403 nan 8.270 nan 0.000 0.421 353 E N 0.576 120.758 120.200 -0.029 0.000 2.110 353 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 353 E C 1.928 178.527 176.600 -0.002 0.000 0.988 353 E CA 0.979 57.369 56.400 -0.017 0.000 0.804 353 E CB 0.091 29.780 29.700 -0.019 0.000 0.745 353 E HN 0.156 nan 8.360 nan 0.000 0.458 354 R N -0.381 120.132 120.500 0.022 0.000 2.073 354 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 354 R C 2.403 178.788 176.300 0.142 0.000 1.120 354 R CA 0.536 56.668 56.100 0.055 0.000 0.967 354 R CB -0.116 30.238 30.300 0.090 0.000 0.862 354 R HN 0.083 nan 8.270 nan 0.000 0.436 355 L N 1.283 122.603 121.223 0.162 0.000 2.083 355 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 355 L C 2.198 179.130 176.870 0.103 0.000 1.083 355 L CA 1.807 56.761 54.840 0.190 0.000 0.752 355 L CB -0.829 41.266 42.059 0.060 0.000 0.899 355 L HN 0.313 nan 8.230 nan 0.000 0.433 356 E N -0.917 119.301 120.200 0.030 0.000 2.072 356 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 356 E C 2.260 178.856 176.600 -0.007 0.000 0.982 356 E CA 0.904 57.302 56.400 -0.003 0.000 0.803 356 E CB 0.216 29.905 29.700 -0.018 0.000 0.755 356 E HN 0.416 nan 8.360 nan 0.000 0.453 357 R N -0.070 120.418 120.500 -0.021 0.000 2.051 357 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 357 R C 2.426 178.665 176.300 -0.102 0.000 1.188 357 R CA 0.769 56.837 56.100 -0.052 0.000 0.992 357 R CB -0.221 30.046 30.300 -0.055 0.000 0.883 357 R HN 0.120 nan 8.270 nan 0.000 0.444 358 E N 0.066 120.156 120.200 -0.182 0.000 2.051 358 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 358 E C 1.327 177.642 176.600 -0.474 0.000 0.991 358 E CA 1.486 57.647 56.400 -0.398 0.000 0.799 358 E CB 0.033 29.344 29.700 -0.648 0.000 0.748 358 E HN 0.354 nan 8.360 nan 0.000 0.449 359 Y N -0.160 120.128 120.300 -0.020 0.000 2.462 359 Y HA 0.085 4.635 4.550 -0.000 0.000 0.261 359 Y C 0.230 176.119 175.900 -0.019 0.000 1.146 359 Y CA 0.054 58.145 58.100 -0.016 0.000 1.283 359 Y CB 0.472 38.926 38.460 -0.010 0.000 1.090 359 Y HN -0.110 nan 8.280 nan 0.000 0.526 360 D N 1.144 121.581 120.400 0.061 0.000 2.746 360 D HA -0.193 4.447 4.640 -0.000 0.000 0.241 360 D C -1.150 175.168 176.300 0.030 0.000 1.140 360 D CA 0.596 54.612 54.000 0.026 0.000 0.707 360 D CB -1.045 39.763 40.800 0.013 0.000 1.034 360 D HN 0.301 nan 8.370 nan 0.000 0.423 361 L N 1.576 122.808 121.223 0.015 0.000 2.342 361 L HA 0.340 4.680 4.340 -0.000 0.000 0.276 361 L C 0.102 176.932 176.870 -0.066 0.000 0.997 361 L CA -0.992 53.827 54.840 -0.035 0.000 0.838 361 L CB 1.589 43.593 42.059 -0.092 0.000 1.224 361 L HN -0.158 nan 8.230 nan 0.000 0.416 362 D N 4.880 125.253 120.400 -0.046 0.000 2.338 362 D HA 0.397 5.037 4.640 -0.000 0.000 0.255 362 D C -0.431 175.832 176.300 -0.062 0.000 1.237 362 D CA 0.488 54.465 54.000 -0.039 0.000 0.883 362 D CB 0.845 41.638 40.800 -0.012 0.000 1.087 362 D HN 0.241 nan 8.370 nan 0.000 0.485 363 L N 3.171 124.348 121.223 -0.077 0.000 2.365 363 L HA 0.422 4.762 4.340 -0.000 0.000 0.273 363 L C -0.228 176.641 176.870 -0.002 0.000 1.000 363 L CA -1.095 53.688 54.840 -0.095 0.000 0.819 363 L CB 2.014 43.935 42.059 -0.231 0.000 1.284 363 L HN 0.086 nan 8.230 nan 0.000 0.418 364 I N 1.703 122.314 120.570 0.069 0.000 2.395 364 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 364 I C 0.432 176.666 176.117 0.195 0.000 1.023 364 I CA 0.205 61.588 61.300 0.137 0.000 1.350 364 I CB 1.250 39.359 38.000 0.181 0.000 1.409 364 I HN 0.524 nan 8.210 nan 0.000 0.507 365 T N 4.775 119.431 114.554 0.169 0.000 2.928 365 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 365 T C 0.009 174.826 174.700 0.195 0.000 1.000 365 T CA -0.499 61.712 62.100 0.185 0.000 0.989 365 T CB 0.793 69.728 68.868 0.112 0.000 1.005 365 T HN 0.817 nan 8.240 nan 0.000 0.442 366 T N 2.473 117.178 114.554 0.252 0.000 2.828 366 T HA 0.663 5.013 4.350 -0.000 0.000 0.290 366 T C 0.795 175.605 174.700 0.183 0.000 1.019 366 T CA -0.437 61.796 62.100 0.221 0.000 1.031 366 T CB 0.560 69.591 68.868 0.271 0.000 1.001 366 T HN 0.965 nan 8.240 nan 0.000 0.531 367 A N 3.332 126.247 122.820 0.158 0.000 2.546 367 A HA 0.419 4.739 4.320 -0.000 0.000 0.243 367 A C -1.724 175.967 177.584 0.177 0.000 1.063 367 A CA -1.155 50.969 52.037 0.146 0.000 0.757 367 A CB -0.922 18.155 19.000 0.129 0.000 0.991 367 A HN 0.808 nan 8.150 nan 0.000 0.503 368 P HA 0.136 nan 4.420 nan 0.000 0.266 368 P C -0.175 177.254 177.300 0.216 0.000 1.195 368 P CA 0.317 63.540 63.100 0.206 0.000 0.768 368 P CB 0.782 32.581 31.700 0.166 0.000 0.838 369 T N 1.400 116.114 114.554 0.267 0.000 2.861 369 T HA 0.485 4.835 4.350 -0.000 0.000 0.287 369 T C -0.136 174.738 174.700 0.289 0.000 1.003 369 T CA -0.666 61.599 62.100 0.276 0.000 0.977 369 T CB 0.774 69.808 68.868 0.277 0.000 0.996 369 T HN 0.267 nan 8.240 nan 0.000 0.448 370 V N 2.765 122.796 119.914 0.196 0.000 3.262 370 V HA 0.806 4.926 4.120 -0.000 0.000 0.313 370 V C -0.113 175.977 176.094 -0.006 0.000 1.070 370 V CA -0.641 61.703 62.300 0.073 0.000 1.049 370 V CB 1.208 32.982 31.823 -0.081 0.000 1.157 370 V HN 0.640 nan 8.190 nan 0.000 0.454 371 V N 2.172 122.090 119.914 0.007 0.000 2.406 371 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 371 V C -0.609 175.491 176.094 0.010 0.000 1.043 371 V CA -0.117 62.235 62.300 0.087 0.000 0.915 371 V CB 0.080 32.020 31.823 0.195 0.000 0.988 371 V HN 0.777 nan 8.190 nan 0.000 0.466 372 Y N 2.384 122.796 120.300 0.187 0.000 2.361 372 Y HA 0.425 4.975 4.550 -0.000 0.000 0.332 372 Y C 0.532 176.337 175.900 -0.158 0.000 1.101 372 Y CA -0.662 57.495 58.100 0.096 0.000 1.137 372 Y CB 1.306 39.793 38.460 0.046 0.000 1.207 372 Y HN 0.635 nan 8.280 nan 0.000 0.463 373 E N 2.805 122.800 120.200 -0.340 0.000 2.081 373 E HA 0.505 4.855 4.350 -0.000 0.000 0.281 373 E C -1.698 174.653 176.600 -0.414 0.000 0.986 373 E CA -0.465 55.446 56.400 -0.815 0.000 0.796 373 E CB 0.632 29.499 29.700 -1.387 0.000 1.085 373 E HN 0.457 nan 8.360 nan 0.000 0.398 374 V N 4.351 124.031 119.914 -0.390 0.000 2.495 374 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 374 V C -0.254 175.736 176.094 -0.173 0.000 1.031 374 V CA -0.843 61.338 62.300 -0.198 0.000 0.871 374 V CB 1.556 33.302 31.823 -0.129 0.000 0.988 374 V HN 0.742 nan 8.190 nan 0.000 0.432 375 E N 2.643 122.799 120.200 -0.072 0.000 2.133 375 E HA 0.436 4.786 4.350 -0.000 0.000 0.274 375 E C -0.264 176.366 176.600 0.051 0.000 0.930 375 E CA -0.427 55.972 56.400 -0.002 0.000 0.770 375 E CB 1.200 30.953 29.700 0.089 0.000 1.104 375 E HN 0.775 nan 8.360 nan 0.000 0.403 376 T N 2.821 117.384 114.554 0.014 0.000 2.860 376 T HA -0.060 4.290 4.350 -0.000 0.000 0.299 376 T C 1.310 176.039 174.700 0.050 0.000 1.045 376 T CA -0.005 62.108 62.100 0.022 0.000 1.071 376 T CB 1.248 70.111 68.868 -0.008 0.000 0.985 376 T HN 0.652 nan 8.240 nan 0.000 0.537 377 T N 0.901 115.487 114.554 0.054 0.000 2.720 377 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 377 T C 1.367 176.047 174.700 -0.033 0.000 1.037 377 T CA 1.526 63.649 62.100 0.038 0.000 1.144 377 T CB -0.293 68.601 68.868 0.044 0.000 0.864 377 T HN 0.524 nan 8.240 nan 0.000 0.444 378 S N 1.990 117.675 115.700 -0.025 0.000 3.065 378 S HA 0.252 4.722 4.470 -0.000 0.000 0.311 378 S C 0.069 174.640 174.600 -0.048 0.000 1.204 378 S CA -0.599 57.577 58.200 -0.039 0.000 1.040 378 S CB -0.585 62.600 63.200 -0.025 0.000 1.436 378 S HN 0.396 nan 8.310 nan 0.000 0.532 379 R N 3.729 124.180 120.500 -0.082 0.000 2.614 379 R HA -0.028 4.312 4.340 -0.000 0.000 0.335 379 R C 0.386 176.654 176.300 -0.053 0.000 0.859 379 R CA 0.847 56.893 56.100 -0.090 0.000 1.123 379 R CB -0.291 29.929 30.300 -0.133 0.000 0.887 379 R HN 0.801 nan 8.270 nan 0.000 0.407 380 E N 0.006 120.181 120.200 -0.041 0.000 2.392 380 E HA 0.180 4.530 4.350 -0.000 0.000 0.281 380 E C -1.603 174.966 176.600 -0.052 0.000 1.088 380 E CA -0.991 55.389 56.400 -0.034 0.000 0.850 380 E CB 0.915 30.600 29.700 -0.025 0.000 1.267 380 E HN 0.129 nan 8.360 nan 0.000 0.438 381 V N 2.046 121.924 119.914 -0.060 0.000 2.394 381 V HA 0.565 4.684 4.120 -0.000 0.000 0.282 381 V C 0.340 176.341 176.094 -0.156 0.000 1.031 381 V CA -0.485 61.727 62.300 -0.146 0.000 0.881 381 V CB 0.272 32.006 31.823 -0.147 0.000 0.982 381 V HN 0.652 nan 8.190 nan 0.000 0.451 382 I N 1.420 121.835 120.570 -0.258 0.000 2.892 382 I HA 0.751 4.921 4.170 -0.000 0.000 0.306 382 I C -1.579 174.310 176.117 -0.380 0.000 1.078 382 I CA -1.021 60.175 61.300 -0.174 0.000 1.032 382 I CB 2.388 40.348 38.000 -0.067 0.000 1.229 382 I HN 0.419 nan 8.210 nan 0.000 0.435 383 Y N 3.083 123.344 120.300 -0.065 0.000 2.364 383 Y HA 0.654 5.204 4.550 -0.000 0.000 0.340 383 Y C -0.391 175.484 175.900 -0.042 0.000 0.975 383 Y CA -0.958 57.101 58.100 -0.068 0.000 1.089 383 Y CB 2.247 40.659 38.460 -0.080 0.000 1.192 383 Y HN 0.300 nan 8.280 nan 0.000 0.454 384 V N 4.250 124.235 119.914 0.117 0.000 2.334 384 V HA 0.162 4.282 4.120 -0.000 0.000 0.281 384 V C -0.081 176.054 176.094 0.067 0.000 1.016 384 V CA -0.639 61.709 62.300 0.081 0.000 0.832 384 V CB 1.165 33.039 31.823 0.086 0.000 0.999 384 V HN 0.830 nan 8.190 nan 0.000 0.439 385 D N 2.496 122.841 120.400 -0.092 0.000 2.084 385 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 385 D C 1.267 177.483 176.300 -0.140 0.000 0.981 385 D CA 1.425 55.220 54.000 -0.341 0.000 0.841 385 D CB 0.118 40.542 40.800 -0.626 0.000 0.997 385 D HN 0.657 nan 8.370 nan 0.000 0.454 386 S N 0.168 115.826 115.700 -0.070 0.000 2.451 386 S HA 0.386 4.856 4.470 -0.000 0.000 0.301 386 S C -2.219 172.405 174.600 0.039 0.000 1.116 386 S CA -1.333 56.877 58.200 0.017 0.000 1.093 386 S CB 2.584 65.799 63.200 0.025 0.000 1.017 386 S HN -0.245 nan 8.310 nan 0.000 0.482 387 P HA -0.146 nan 4.420 nan 0.000 0.218 387 P C 1.546 178.851 177.300 0.008 0.000 1.146 387 P CA 1.440 64.555 63.100 0.025 0.000 0.813 387 P CB -0.116 31.607 31.700 0.038 0.000 0.778 388 S N -1.249 114.464 115.700 0.022 0.000 2.507 388 S HA -0.045 4.424 4.470 -0.000 0.000 0.235 388 S C 1.468 176.071 174.600 0.005 0.000 0.988 388 S CA 0.801 59.009 58.200 0.014 0.000 0.944 388 S CB -0.705 62.509 63.200 0.024 0.000 0.762 388 S HN 0.204 nan 8.310 nan 0.000 0.526 389 K N 0.188 120.590 120.400 0.003 0.000 2.373 389 K HA 0.344 4.664 4.320 -0.000 0.000 0.202 389 K C -0.256 176.338 176.600 -0.012 0.000 1.025 389 K CA -0.362 55.923 56.287 -0.002 0.000 1.115 389 K CB 0.184 32.684 32.500 -0.001 0.000 0.858 389 K HN 0.292 nan 8.250 nan 0.000 0.525 390 L N 3.322 124.533 121.223 -0.021 0.000 2.455 390 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 390 L C -2.079 174.772 176.870 -0.033 0.000 1.174 390 L CA -1.483 53.334 54.840 -0.038 0.000 0.869 390 L CB 0.111 42.130 42.059 -0.065 0.000 1.130 390 L HN -0.020 nan 8.230 nan 0.000 0.474 391 P HA 0.065 nan 4.420 nan 0.000 0.269 391 P C -0.933 176.351 177.300 -0.027 0.000 1.217 391 P CA -0.356 62.728 63.100 -0.027 0.000 0.783 391 P CB 0.298 31.982 31.700 -0.026 0.000 0.898 392 A N 2.108 124.916 122.820 -0.019 0.000 2.520 392 A HA 0.070 4.390 4.320 -0.000 0.000 0.235 392 A C 1.737 179.310 177.584 -0.019 0.000 1.065 392 A CA -0.260 51.767 52.037 -0.017 0.000 0.764 392 A CB -0.406 18.588 19.000 -0.011 0.000 1.002 392 A HN 0.395 nan 8.150 nan 0.000 0.502 393 V N 2.459 122.361 119.914 -0.021 0.000 2.317 393 V HA -0.354 3.766 4.120 -0.000 0.000 0.251 393 V C 2.049 178.133 176.094 -0.016 0.000 1.065 393 V CA 2.728 65.013 62.300 -0.025 0.000 1.049 393 V CB -1.356 30.453 31.823 -0.025 0.000 0.651 393 V HN 0.953 nan 8.190 nan 0.000 0.450 394 N N 0.932 119.627 118.700 -0.008 0.000 2.289 394 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 394 N C 1.380 176.896 175.510 0.010 0.000 1.016 394 N CA 1.295 54.346 53.050 0.001 0.000 0.872 394 N CB -0.427 38.061 38.487 0.002 0.000 0.973 394 N HN 0.536 nan 8.380 nan 0.000 0.433 395 N N 0.237 118.939 118.700 0.005 0.000 2.412 395 N HA 0.095 4.835 4.740 -0.000 0.000 0.184 395 N C -0.291 175.231 175.510 0.020 0.000 1.101 395 N CA 0.192 53.248 53.050 0.010 0.000 0.881 395 N CB 0.592 39.078 38.487 -0.001 0.000 0.969 395 N HN 0.303 nan 8.380 nan 0.000 0.459 396 I N 1.438 122.014 120.570 0.010 0.000 2.301 396 I HA 0.002 4.172 4.170 -0.000 0.000 0.292 396 I C 1.225 177.368 176.117 0.042 0.000 1.046 396 I CA -0.486 60.819 61.300 0.009 0.000 1.282 396 I CB 0.665 38.645 38.000 -0.034 0.000 1.409 396 I HN -0.037 nan 8.210 nan 0.000 0.484 397 Y N 6.406 126.684 120.300 -0.036 0.000 2.176 397 Y HA 0.104 4.654 4.550 -0.000 0.000 0.291 397 Y C 0.744 176.628 175.900 -0.026 0.000 1.122 397 Y CA 1.044 59.127 58.100 -0.028 0.000 1.128 397 Y CB 0.403 38.847 38.460 -0.027 0.000 1.005 397 Y HN 0.544 nan 8.280 nan 0.000 0.509 398 E N 0.435 120.559 120.200 -0.127 0.000 2.304 398 E HA 0.339 4.689 4.350 -0.000 0.000 0.277 398 E C -2.273 174.284 176.600 -0.073 0.000 0.898 398 E CA -0.899 55.384 56.400 -0.196 0.000 0.764 398 E CB 1.553 31.144 29.700 -0.181 0.000 1.216 398 E HN 0.122 nan 8.360 nan 0.000 0.419 399 L N 4.520 125.701 121.223 -0.070 0.000 2.280 399 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 399 L C -1.066 175.824 176.870 0.034 0.000 1.023 399 L CA -0.242 54.578 54.840 -0.034 0.000 0.819 399 L CB 0.902 42.923 42.059 -0.063 0.000 1.212 399 L HN 0.504 nan 8.230 nan 0.000 0.420 400 R N 4.284 124.826 120.500 0.070 0.000 2.288 400 R HA 0.331 4.671 4.340 -0.000 0.000 0.326 400 R C -0.591 175.920 176.300 0.352 0.000 0.959 400 R CA -0.469 55.728 56.100 0.162 0.000 0.834 400 R CB 1.456 31.819 30.300 0.105 0.000 1.157 400 R HN 0.709 nan 8.270 nan 0.000 0.470 401 E N 5.544 125.989 120.200 0.408 0.000 2.266 401 E HA 0.318 4.668 4.350 -0.000 0.000 0.277 401 E C -2.270 174.560 176.600 0.384 0.000 1.018 401 E CA -2.189 54.489 56.400 0.463 0.000 0.840 401 E CB 1.363 31.325 29.700 0.436 0.000 1.082 401 E HN 0.180 nan 8.360 nan 0.000 0.395 402 P HA 0.137 nan 4.420 nan 0.000 0.276 402 P C -0.506 176.793 177.300 -0.002 0.000 1.235 402 P CA -0.174 63.006 63.100 0.133 0.000 0.772 402 P CB 0.526 32.325 31.700 0.164 0.000 0.871 403 I N 2.495 122.970 120.570 -0.158 0.000 2.359 403 I HA 0.437 4.607 4.170 -0.000 0.000 0.294 403 I C 0.717 176.696 176.117 -0.230 0.000 0.987 403 I CA -1.125 60.072 61.300 -0.172 0.000 1.225 403 I CB 0.959 38.855 38.000 -0.175 0.000 1.366 403 I HN 0.340 nan 8.210 nan 0.000 0.466 404 A N 5.523 128.262 122.820 -0.135 0.000 2.317 404 A HA 0.435 4.755 4.320 -0.000 0.000 0.327 404 A C 0.006 177.536 177.584 -0.091 0.000 1.178 404 A CA -0.619 51.372 52.037 -0.077 0.000 0.817 404 A CB 0.728 19.719 19.000 -0.015 0.000 1.189 404 A HN 0.759 nan 8.150 nan 0.000 0.489 405 E N 1.724 121.868 120.200 -0.094 0.000 2.105 405 E HA 0.360 4.710 4.350 -0.000 0.000 0.285 405 E C -1.192 175.276 176.600 -0.219 0.000 1.055 405 E CA -0.376 55.920 56.400 -0.174 0.000 0.843 405 E CB 0.345 29.926 29.700 -0.198 0.000 1.067 405 E HN 0.660 nan 8.360 nan 0.000 0.398 406 C N 5.107 124.308 119.300 -0.166 0.000 2.251 406 C HA 0.345 4.805 4.460 -0.000 0.000 0.323 406 C C -0.531 174.399 174.990 -0.100 0.000 1.241 406 C CA -0.874 58.123 59.018 -0.035 0.000 1.601 406 C CB -0.827 26.980 27.740 0.112 0.000 2.251 406 C HN 0.741 nan 8.230 nan 0.000 0.488 407 H N 2.708 121.878 119.070 0.166 0.000 2.594 407 H HA 0.556 5.112 4.556 -0.000 0.000 0.304 407 H C -0.053 175.365 175.328 0.150 0.000 1.068 407 H CA 0.092 56.228 56.048 0.148 0.000 1.308 407 H CB 0.521 30.366 29.762 0.139 0.000 1.409 407 H HN 0.564 nan 8.280 nan 0.000 0.460 408 M N 3.667 123.410 119.600 0.240 0.000 2.465 408 M HA 0.361 4.841 4.480 -0.000 0.000 0.316 408 M C -1.258 175.130 176.300 0.147 0.000 1.121 408 M CA -0.809 54.598 55.300 0.178 0.000 0.934 408 M CB 2.375 35.067 32.600 0.154 0.000 1.692 408 M HN 0.293 nan 8.290 nan 0.000 0.444 409 L N 5.201 126.493 121.223 0.116 0.000 2.333 409 L HA 0.771 5.111 4.340 -0.000 0.000 0.280 409 L C -0.926 175.991 176.870 0.079 0.000 1.004 409 L CA -0.525 54.374 54.840 0.099 0.000 0.820 409 L CB 1.643 43.755 42.059 0.088 0.000 1.247 409 L HN 0.759 nan 8.230 nan 0.000 0.416 410 L N 2.612 123.881 121.223 0.076 0.000 2.556 410 L HA 0.741 5.081 4.340 -0.000 0.000 0.257 410 L C -2.860 174.061 176.870 0.086 0.000 0.955 410 L CA -1.679 53.209 54.840 0.081 0.000 0.850 410 L CB 2.184 44.286 42.059 0.072 0.000 1.398 410 L HN 0.249 nan 8.230 nan 0.000 0.412 411 P HA 0.136 nan 4.420 nan 0.000 0.271 411 P C -0.265 177.101 177.300 0.109 0.000 1.218 411 P CA -0.086 63.074 63.100 0.100 0.000 0.780 411 P CB 1.036 32.789 31.700 0.088 0.000 0.901 412 Q N 2.012 121.848 119.800 0.060 0.000 2.112 412 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 412 Q C 2.143 178.157 176.000 0.023 0.000 0.987 412 Q CA 2.232 58.064 55.803 0.050 0.000 0.858 412 Q CB -0.663 28.126 28.738 0.084 0.000 0.905 412 Q HN 0.600 nan 8.270 nan 0.000 0.420 413 A N -0.109 122.687 122.820 -0.039 0.000 2.076 413 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 413 A C 1.329 178.766 177.584 -0.244 0.000 1.160 413 A CA 1.316 53.244 52.037 -0.182 0.000 0.653 413 A CB -0.473 18.331 19.000 -0.328 0.000 0.801 413 A HN 0.421 nan 8.150 nan 0.000 0.455 414 Y N -0.562 119.731 120.300 -0.013 0.000 2.509 414 Y HA 0.103 4.653 4.550 -0.000 0.000 0.270 414 Y C 1.949 177.847 175.900 -0.004 0.000 1.103 414 Y CA 0.343 58.440 58.100 -0.005 0.000 1.278 414 Y CB -0.124 38.338 38.460 0.003 0.000 1.087 414 Y HN 0.330 nan 8.280 nan 0.000 0.542 415 L N -1.525 119.773 121.223 0.126 0.000 2.263 415 L HA -0.031 4.309 4.340 -0.000 0.000 0.216 415 L C 2.061 178.966 176.870 0.058 0.000 1.111 415 L CA 1.797 56.683 54.840 0.075 0.000 0.773 415 L CB -1.753 40.332 42.059 0.044 0.000 0.906 415 L HN 0.095 nan 8.230 nan 0.000 0.439 416 G N 0.120 108.951 108.800 0.051 0.000 2.404 416 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 416 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 416 G C 1.358 176.283 174.900 0.041 0.000 1.174 416 G CA 0.809 45.931 45.100 0.037 0.000 0.780 416 G HN 0.508 nan 8.290 nan 0.000 0.537 417 N N -0.093 118.644 118.700 0.063 0.000 2.457 417 N HA 0.014 4.754 4.740 -0.000 0.000 0.180 417 N C 2.019 177.554 175.510 0.042 0.000 1.050 417 N CA 0.376 53.464 53.050 0.064 0.000 0.906 417 N CB 0.238 38.792 38.487 0.111 0.000 0.968 417 N HN 0.249 nan 8.380 nan 0.000 0.445 418 V N 1.287 121.223 119.914 0.037 0.000 2.374 418 V HA -0.033 4.087 4.120 -0.000 0.000 0.241 418 V C 2.134 178.191 176.094 -0.061 0.000 1.034 418 V CA 0.810 63.107 62.300 -0.005 0.000 1.037 418 V CB -0.432 31.394 31.823 0.006 0.000 0.682 418 V HN 0.303 nan 8.190 nan 0.000 0.463 419 I N -0.364 120.166 120.570 -0.068 0.000 2.614 419 I HA -0.152 4.018 4.170 -0.000 0.000 0.258 419 I C 2.192 178.266 176.117 -0.071 0.000 1.189 419 I CA 2.016 63.231 61.300 -0.142 0.000 1.462 419 I CB -1.823 36.178 38.000 0.002 0.000 1.092 419 I HN 0.365 nan 8.210 nan 0.000 0.442 420 T N 1.041 115.586 114.554 -0.016 0.000 2.867 420 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 420 T C 2.011 176.714 174.700 0.005 0.000 1.057 420 T CA 1.302 63.405 62.100 0.005 0.000 1.136 420 T CB -0.150 68.729 68.868 0.018 0.000 0.874 420 T HN 0.442 nan 8.240 nan 0.000 0.466 421 L N 0.171 121.399 121.223 0.008 0.000 2.023 421 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 421 L C 2.835 179.732 176.870 0.045 0.000 1.073 421 L CA 1.510 56.382 54.840 0.054 0.000 0.745 421 L CB -0.800 41.309 42.059 0.085 0.000 0.900 421 L HN 0.398 nan 8.230 nan 0.000 0.435 422 C N -0.506 118.770 119.300 -0.040 0.000 2.363 422 C HA -0.236 4.224 4.460 -0.000 0.000 0.274 422 C C 2.829 177.753 174.990 -0.111 0.000 1.183 422 C CA 1.610 60.513 59.018 -0.192 0.000 1.771 422 C CB -0.932 26.377 27.740 -0.718 0.000 2.059 422 C HN 0.663 nan 8.230 nan 0.000 0.455 423 V N -1.063 118.821 119.914 -0.049 0.000 2.871 423 V HA -0.045 4.075 4.120 -0.000 0.000 0.256 423 V C 2.214 178.306 176.094 -0.003 0.000 1.082 423 V CA 2.013 64.321 62.300 0.013 0.000 1.105 423 V CB -0.752 31.105 31.823 0.057 0.000 0.713 423 V HN 0.581 nan 8.190 nan 0.000 0.473 424 E N 0.985 121.184 120.200 -0.000 0.000 2.110 424 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 424 E C 1.299 177.895 176.600 -0.008 0.000 0.988 424 E CA 0.939 57.344 56.400 0.008 0.000 0.804 424 E CB 0.037 29.754 29.700 0.027 0.000 0.745 424 E HN 0.505 nan 8.360 nan 0.000 0.458 425 K N 0.585 120.966 120.400 -0.033 0.000 2.520 425 K HA 0.115 4.435 4.320 -0.000 0.000 0.205 425 K C 0.065 176.592 176.600 -0.123 0.000 1.035 425 K CA -0.140 56.095 56.287 -0.087 0.000 1.188 425 K CB 0.068 32.468 32.500 -0.168 0.000 0.894 425 K HN 0.153 nan 8.250 nan 0.000 0.497 426 R N -1.029 119.419 120.500 -0.087 0.000 3.872 426 R HA -0.126 4.214 4.340 -0.000 0.000 0.341 426 R C 0.573 176.837 176.300 -0.060 0.000 1.172 426 R CA 0.623 56.664 56.100 -0.097 0.000 0.901 426 R CB -2.176 28.022 30.300 -0.170 0.000 1.422 426 R HN 0.364 nan 8.270 nan 0.000 0.523 427 G N 0.297 109.087 108.800 -0.016 0.000 2.527 427 G HA2 0.441 4.401 3.960 -0.000 0.000 0.248 427 G HA3 0.441 4.401 3.960 -0.000 0.000 0.248 427 G C -0.076 174.939 174.900 0.192 0.000 1.231 427 G CA -0.300 44.862 45.100 0.104 0.000 0.838 427 G HN 0.010 nan 8.290 nan 0.000 0.570 428 V N 1.747 121.735 119.914 0.123 0.000 2.487 428 V HA 0.273 4.393 4.120 -0.000 0.000 0.298 428 V C 0.195 176.043 176.094 -0.411 0.000 1.028 428 V CA -0.741 61.521 62.300 -0.063 0.000 0.860 428 V CB 1.494 33.270 31.823 -0.079 0.000 0.991 428 V HN 0.878 nan 8.190 nan 0.000 0.427 429 Q N 2.127 121.475 119.800 -0.753 0.000 2.297 429 Q HA 0.188 4.528 4.340 -0.000 0.000 0.267 429 Q C 0.520 176.221 176.000 -0.497 0.000 1.006 429 Q CA 0.263 55.381 55.803 -1.142 0.000 0.896 429 Q CB 1.175 29.382 28.738 -0.886 0.000 1.186 429 Q HN 0.863 nan 8.270 nan 0.000 0.392 430 T N 3.056 117.370 114.554 -0.399 0.000 3.018 430 T HA 0.122 4.472 4.350 -0.000 0.000 0.246 430 T C -0.319 174.302 174.700 -0.131 0.000 1.026 430 T CA 0.205 62.184 62.100 -0.201 0.000 1.081 430 T CB 0.179 68.959 68.868 -0.147 0.000 0.970 430 T HN 0.688 nan 8.240 nan 0.000 0.475 431 N N -0.084 118.542 118.700 -0.124 0.000 2.935 431 N HA 0.407 5.147 4.740 -0.000 0.000 0.248 431 N C -2.054 173.436 175.510 -0.033 0.000 1.276 431 N CA -0.537 52.480 53.050 -0.056 0.000 0.906 431 N CB 1.358 39.834 38.487 -0.019 0.000 1.564 431 N HN -0.001 nan 8.380 nan 0.000 0.500 432 M N 2.805 122.394 119.600 -0.018 0.000 2.238 432 M HA 0.503 4.983 4.480 -0.000 0.000 0.278 432 M C -1.941 174.333 176.300 -0.043 0.000 1.040 432 M CA -0.619 54.662 55.300 -0.031 0.000 0.969 432 M CB 1.507 34.095 32.600 -0.021 0.000 1.694 432 M HN 0.336 nan 8.290 nan 0.000 0.472 433 V N 4.201 124.041 119.914 -0.123 0.000 2.735 433 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 433 V C -1.407 174.441 176.094 -0.410 0.000 1.061 433 V CA -0.708 61.487 62.300 -0.174 0.000 0.913 433 V CB 2.211 33.937 31.823 -0.161 0.000 1.005 433 V HN 0.730 nan 8.190 nan 0.000 0.428 434 Y N 2.016 122.107 120.300 -0.349 0.000 2.342 434 Y HA 0.576 5.126 4.550 -0.000 0.000 0.334 434 Y C 0.257 175.897 175.900 -0.433 0.000 1.067 434 Y CA -0.216 57.707 58.100 -0.296 0.000 1.128 434 Y CB 1.300 39.688 38.460 -0.119 0.000 1.200 434 Y HN 0.663 nan 8.280 nan 0.000 0.464 435 H N 1.930 121.091 119.070 0.152 0.000 2.917 435 H HA 0.436 4.992 4.556 -0.000 0.000 0.279 435 H C 0.693 176.079 175.328 0.097 0.000 1.211 435 H CA -0.261 55.850 56.048 0.104 0.000 1.534 435 H CB 0.795 30.597 29.762 0.068 0.000 1.581 435 H HN 0.934 nan 8.280 nan 0.000 0.510 436 G N 2.771 111.684 108.800 0.189 0.000 2.611 436 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.301 436 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.301 436 G C 0.756 175.740 174.900 0.139 0.000 1.233 436 G CA 0.326 45.504 45.100 0.131 0.000 0.993 436 G HN 0.776 nan 8.290 nan 0.000 0.553 437 N N 1.084 119.846 118.700 0.103 0.000 2.389 437 N HA 0.125 4.865 4.740 -0.000 0.000 0.237 437 N C 0.410 175.972 175.510 0.087 0.000 1.148 437 N CA 0.644 53.751 53.050 0.095 0.000 0.854 437 N CB 0.721 39.240 38.487 0.054 0.000 1.115 437 N HN 0.798 nan 8.380 nan 0.000 0.492 438 Q N 0.756 120.618 119.800 0.104 0.000 2.337 438 Q HA 0.405 4.745 4.340 -0.000 0.000 0.270 438 Q C -1.734 174.283 176.000 0.029 0.000 1.043 438 Q CA -0.703 55.151 55.803 0.084 0.000 0.794 438 Q CB 2.369 31.175 28.738 0.114 0.000 1.281 438 Q HN 0.031 nan 8.270 nan 0.000 0.446 439 V N 2.436 122.323 119.914 -0.045 0.000 2.435 439 V HA 0.720 4.840 4.120 -0.000 0.000 0.290 439 V C -0.431 175.624 176.094 -0.064 0.000 1.030 439 V CA -0.682 61.493 62.300 -0.207 0.000 0.881 439 V CB 1.467 33.107 31.823 -0.305 0.000 0.983 439 V HN 0.867 nan 8.190 nan 0.000 0.445 440 A N 6.506 129.278 122.820 -0.080 0.000 2.294 440 A HA 0.708 5.028 4.320 -0.000 0.000 0.316 440 A C -0.589 177.018 177.584 0.037 0.000 1.359 440 A CA -0.292 51.781 52.037 0.060 0.000 0.956 440 A CB -0.031 19.079 19.000 0.183 0.000 1.155 440 A HN 0.807 nan 8.150 nan 0.000 0.544 441 L N 2.512 123.790 121.223 0.092 0.000 2.295 441 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 441 L C 0.517 177.505 176.870 0.196 0.000 1.035 441 L CA -0.297 54.629 54.840 0.143 0.000 0.806 441 L CB 2.042 44.210 42.059 0.182 0.000 1.214 441 L HN 0.709 nan 8.230 nan 0.000 0.426 442 T N 2.451 117.102 114.554 0.162 0.000 2.815 442 T HA 0.480 4.830 4.350 -0.000 0.000 0.289 442 T C -1.119 173.604 174.700 0.038 0.000 1.000 442 T CA -0.260 61.908 62.100 0.114 0.000 0.958 442 T CB 0.415 69.354 68.868 0.118 0.000 0.944 442 T HN 0.330 nan 8.240 nan 0.000 0.442 443 Y N 2.177 122.443 120.300 -0.056 0.000 2.485 443 Y HA 0.497 5.047 4.550 -0.000 0.000 0.345 443 Y C 0.387 176.225 175.900 -0.104 0.000 0.998 443 Y CA -0.911 57.153 58.100 -0.059 0.000 1.059 443 Y CB 2.209 40.651 38.460 -0.028 0.000 1.234 443 Y HN 0.630 nan 8.280 nan 0.000 0.461 444 E N 4.278 124.477 120.200 -0.002 0.000 2.073 444 E HA 0.434 4.784 4.350 -0.000 0.000 0.269 444 E C -1.240 175.343 176.600 -0.028 0.000 0.917 444 E CA -0.191 56.179 56.400 -0.050 0.000 0.757 444 E CB 0.987 30.628 29.700 -0.097 0.000 1.111 444 E HN 0.415 nan 8.360 nan 0.000 0.410 445 I N 4.438 124.962 120.570 -0.077 0.000 2.509 445 I HA 0.306 4.476 4.170 -0.000 0.000 0.293 445 I C -2.330 173.696 176.117 -0.153 0.000 1.020 445 I CA -2.863 58.352 61.300 -0.142 0.000 1.088 445 I CB 1.895 39.722 38.000 -0.288 0.000 1.267 445 I HN 0.207 nan 8.210 nan 0.000 0.430 446 P HA -0.017 nan 4.420 nan 0.000 0.260 446 P C 0.475 177.710 177.300 -0.110 0.000 1.172 446 P CA 0.100 63.150 63.100 -0.083 0.000 0.760 446 P CB 0.486 32.155 31.700 -0.051 0.000 0.773 447 M N 5.623 125.179 119.600 -0.072 0.000 2.159 447 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 447 M C 1.832 178.098 176.300 -0.058 0.000 1.063 447 M CA 2.047 57.299 55.300 -0.080 0.000 1.110 447 M CB -1.132 31.467 32.600 -0.002 0.000 1.374 447 M HN 0.387 nan 8.290 nan 0.000 0.411 448 A N -0.912 121.904 122.820 -0.007 0.000 1.997 448 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 448 A C 2.046 179.653 177.584 0.038 0.000 1.172 448 A CA 2.286 54.361 52.037 0.064 0.000 0.645 448 A CB -0.757 18.354 19.000 0.185 0.000 0.813 448 A HN 0.605 nan 8.150 nan 0.000 0.454 449 E N -1.167 119.013 120.200 -0.033 0.000 2.276 449 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 449 E C 1.798 178.315 176.600 -0.139 0.000 0.983 449 E CA 0.662 57.019 56.400 -0.072 0.000 0.861 449 E CB 0.073 29.699 29.700 -0.123 0.000 0.817 449 E HN 0.270 nan 8.360 nan 0.000 0.485 450 V N -0.097 119.675 119.914 -0.235 0.000 2.515 450 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 450 V C 2.031 178.077 176.094 -0.081 0.000 1.058 450 V CA 1.240 63.374 62.300 -0.275 0.000 1.064 450 V CB -0.216 31.308 31.823 -0.499 0.000 0.675 450 V HN 0.140 nan 8.190 nan 0.000 0.461 451 V N -0.984 118.894 119.914 -0.060 0.000 2.446 451 V HA 0.041 4.161 4.120 -0.000 0.000 0.244 451 V C 1.139 177.280 176.094 0.079 0.000 1.039 451 V CA 0.477 62.788 62.300 0.019 0.000 1.045 451 V CB -0.250 31.600 31.823 0.045 0.000 0.681 451 V HN 0.303 nan 8.190 nan 0.000 0.459 452 L N 2.203 123.476 121.223 0.083 0.000 2.530 452 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 452 L C 0.252 177.203 176.870 0.135 0.000 1.141 452 L CA 0.599 55.500 54.840 0.103 0.000 0.905 452 L CB -0.648 41.467 42.059 0.094 0.000 1.202 452 L HN 0.336 nan 8.230 nan 0.000 0.473 453 D N 3.395 123.874 120.400 0.132 0.000 3.167 453 D HA -0.242 4.398 4.640 -0.000 0.000 0.232 453 D C 0.566 176.981 176.300 0.192 0.000 1.231 453 D CA 0.738 54.830 54.000 0.154 0.000 0.845 453 D CB 0.240 41.103 40.800 0.105 0.000 1.157 453 D HN 0.492 nan 8.370 nan 0.000 0.576 454 F N 5.024 125.012 119.950 0.064 0.000 2.729 454 F HA 0.110 4.637 4.527 -0.000 0.000 0.304 454 F C 1.384 177.229 175.800 0.074 0.000 1.008 454 F CA -0.414 57.609 58.000 0.038 0.000 1.188 454 F CB -0.375 38.629 39.000 0.008 0.000 0.980 454 F HN 0.218 nan 8.300 nan 0.000 0.627 455 F N 2.452 122.241 119.950 -0.269 0.000 2.120 455 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 455 F C 1.794 177.432 175.800 -0.270 0.000 1.095 455 F CA 2.320 60.129 58.000 -0.319 0.000 1.249 455 F CB -0.745 38.231 39.000 -0.040 0.000 0.995 455 F HN -0.008 nan 8.300 nan 0.000 0.480 456 D N -0.102 120.111 120.400 -0.312 0.000 2.144 456 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 456 D C 2.420 178.531 176.300 -0.315 0.000 0.978 456 D CA 1.271 55.060 54.000 -0.350 0.000 0.833 456 D CB -0.297 40.417 40.800 -0.143 0.000 0.961 456 D HN 0.327 nan 8.370 nan 0.000 0.470 457 R N -0.096 120.249 120.500 -0.257 0.000 2.148 457 R HA 0.045 4.385 4.340 -0.000 0.000 0.223 457 R C 2.318 178.456 176.300 -0.270 0.000 1.088 457 R CA 0.278 56.259 56.100 -0.198 0.000 0.985 457 R CB -0.166 30.080 30.300 -0.089 0.000 0.880 457 R HN 0.208 nan 8.270 nan 0.000 0.451 458 L N 0.805 121.751 121.223 -0.461 0.000 2.072 458 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 458 L C 2.038 178.703 176.870 -0.342 0.000 1.079 458 L CA 1.604 56.191 54.840 -0.422 0.000 0.752 458 L CB -0.046 41.652 42.059 -0.601 0.000 0.906 458 L HN -0.106 nan 8.230 nan 0.000 0.436 459 K N -0.317 119.823 120.400 -0.434 0.000 2.211 459 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 459 K C 2.259 178.683 176.600 -0.294 0.000 1.050 459 K CA 1.286 57.328 56.287 -0.408 0.000 0.945 459 K CB -0.012 32.136 32.500 -0.586 0.000 0.732 459 K HN 0.624 nan 8.250 nan 0.000 0.451 460 S N -1.225 114.329 115.700 -0.244 0.000 2.362 460 S HA -0.106 4.364 4.470 -0.000 0.000 0.221 460 S C 2.107 176.639 174.600 -0.115 0.000 1.032 460 S CA 1.517 59.622 58.200 -0.157 0.000 0.973 460 S CB -0.542 62.586 63.200 -0.121 0.000 0.849 460 S HN 0.197 nan 8.310 nan 0.000 0.465 461 T N 1.802 116.290 114.554 -0.110 0.000 3.051 461 T HA 0.032 4.382 4.350 -0.000 0.000 0.269 461 T C 1.458 176.144 174.700 -0.023 0.000 1.127 461 T CA 1.451 63.528 62.100 -0.038 0.000 1.107 461 T CB -0.568 68.281 68.868 -0.031 0.000 0.898 461 T HN 0.707 nan 8.240 nan 0.000 0.517 462 S N -0.485 115.098 115.700 -0.194 0.000 2.650 462 S HA 0.336 4.806 4.470 -0.000 0.000 0.240 462 S C 0.530 174.759 174.600 -0.617 0.000 1.007 462 S CA -0.481 57.393 58.200 -0.544 0.000 0.984 462 S CB -0.149 62.809 63.200 -0.402 0.000 0.910 462 S HN 0.466 nan 8.310 nan 0.000 0.509 463 R N 1.273 121.608 120.500 -0.276 0.000 3.225 463 R HA -0.180 4.160 4.340 -0.000 0.000 0.245 463 R C 1.004 177.126 176.300 -0.295 0.000 0.928 463 R CA 0.558 56.552 56.100 -0.176 0.000 0.632 463 R CB -2.074 28.225 30.300 -0.002 0.000 1.038 463 R HN 1.175 nan 8.270 nan 0.000 0.461 464 G N -1.216 107.382 108.800 -0.337 0.000 2.198 464 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 464 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 464 G C 0.124 174.718 174.900 -0.510 0.000 1.025 464 G CA 0.582 45.443 45.100 -0.399 0.000 0.769 464 G HN 0.614 nan 8.290 nan 0.000 0.507 465 Y N -0.227 119.918 120.300 -0.259 0.000 2.444 465 Y HA 0.566 5.116 4.550 -0.000 0.000 0.249 465 Y C 1.852 177.667 175.900 -0.143 0.000 1.134 465 Y CA 0.381 58.364 58.100 -0.194 0.000 1.261 465 Y CB 0.737 39.059 38.460 -0.231 0.000 1.143 465 Y HN 0.559 nan 8.280 nan 0.000 0.523 466 A N 0.845 123.631 122.820 -0.056 0.000 2.274 466 A HA 0.548 4.868 4.320 -0.000 0.000 0.309 466 A C -0.064 177.521 177.584 0.002 0.000 1.226 466 A CA -0.468 51.555 52.037 -0.022 0.000 0.853 466 A CB 0.050 19.017 19.000 -0.056 0.000 1.146 466 A HN 0.200 nan 8.150 nan 0.000 0.518 467 S N 3.273 119.004 115.700 0.052 0.000 2.498 467 S HA 0.567 5.037 4.470 -0.000 0.000 0.324 467 S C -0.435 174.245 174.600 0.132 0.000 1.071 467 S CA -0.588 57.664 58.200 0.087 0.000 1.113 467 S CB 0.706 63.928 63.200 0.037 0.000 0.976 467 S HN 0.699 nan 8.310 nan 0.000 0.462 468 L N 3.151 124.499 121.223 0.208 0.000 2.350 468 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 468 L C -0.556 176.412 176.870 0.163 0.000 1.099 468 L CA -0.032 54.954 54.840 0.242 0.000 0.808 468 L CB 0.913 43.195 42.059 0.371 0.000 1.149 468 L HN 0.810 nan 8.230 nan 0.000 0.442 469 D N 4.213 124.725 120.400 0.186 0.000 2.616 469 D HA 0.203 4.843 4.640 -0.000 0.000 0.238 469 D C -1.735 174.687 176.300 0.202 0.000 1.354 469 D CA -0.265 53.791 54.000 0.093 0.000 0.970 469 D CB 1.266 42.103 40.800 0.062 0.000 1.369 469 D HN 0.382 nan 8.370 nan 0.000 0.585 470 Y N 1.965 122.307 120.300 0.070 0.000 2.446 470 Y HA 0.596 5.146 4.550 -0.000 0.000 0.345 470 Y C -0.718 175.216 175.900 0.057 0.000 0.984 470 Y CA -0.965 57.164 58.100 0.049 0.000 1.058 470 Y CB 1.339 39.827 38.460 0.047 0.000 1.220 470 Y HN 0.202 nan 8.280 nan 0.000 0.455 471 N N 2.921 121.720 118.700 0.164 0.000 2.357 471 N HA 0.280 5.020 4.740 -0.000 0.000 0.284 471 N C -1.691 173.914 175.510 0.159 0.000 1.236 471 N CA -0.700 52.427 53.050 0.128 0.000 0.774 471 N CB 2.193 40.740 38.487 0.100 0.000 1.534 471 N HN 0.752 nan 8.380 nan 0.000 0.478 472 F N 1.180 121.143 119.950 0.022 0.000 2.563 472 F HA 0.150 4.677 4.527 -0.000 0.000 0.363 472 F C 1.180 176.942 175.800 -0.065 0.000 1.123 472 F CA 0.510 58.480 58.000 -0.050 0.000 1.307 472 F CB 1.050 39.990 39.000 -0.100 0.000 1.115 472 F HN 0.818 nan 8.300 nan 0.000 0.592 473 K N 3.358 123.136 120.400 -1.036 0.000 2.485 473 K HA 0.379 4.699 4.320 -0.000 0.000 0.200 473 K C -0.324 175.714 176.600 -0.937 0.000 1.352 473 K CA 0.058 55.920 56.287 -0.708 0.000 0.953 473 K CB 0.460 32.725 32.500 -0.392 0.000 1.387 473 K HN 0.732 nan 8.250 nan 0.000 0.512 474 R N -1.057 118.616 120.500 -1.378 0.000 2.765 474 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 474 R C -1.566 174.374 176.300 -0.600 0.000 1.028 474 R CA -0.637 55.029 56.100 -0.724 0.000 0.860 474 R CB 0.398 30.512 30.300 -0.309 0.000 1.270 474 R HN -0.029 nan 8.270 nan 0.000 0.484 475 F N 1.067 121.055 119.950 0.062 0.000 2.399 475 F HA 0.467 4.994 4.527 -0.000 0.000 0.328 475 F C 0.261 176.097 175.800 0.060 0.000 1.084 475 F CA -0.204 57.880 58.000 0.140 0.000 1.053 475 F CB 1.864 40.994 39.000 0.217 0.000 1.209 475 F HN 0.337 nan 8.300 nan 0.000 0.502 476 Q N 1.581 121.537 119.800 0.260 0.000 2.309 476 Q HA 0.643 4.983 4.340 -0.000 0.000 0.273 476 Q C -1.325 174.756 176.000 0.134 0.000 1.040 476 Q CA -0.922 54.967 55.803 0.143 0.000 0.834 476 Q CB 2.040 30.819 28.738 0.068 0.000 1.345 476 Q HN 0.840 nan 8.270 nan 0.000 0.414 477 A N 2.353 125.226 122.820 0.088 0.000 2.548 477 A HA 0.439 4.759 4.320 -0.000 0.000 0.247 477 A C -0.240 177.382 177.584 0.064 0.000 1.067 477 A CA 0.819 52.889 52.037 0.055 0.000 0.757 477 A CB 0.216 19.222 19.000 0.010 0.000 0.996 477 A HN 0.538 nan 8.150 nan 0.000 0.504 478 S N 0.963 116.710 115.700 0.077 0.000 2.537 478 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 478 S C -1.242 173.414 174.600 0.093 0.000 1.142 478 S CA -0.683 57.587 58.200 0.117 0.000 0.870 478 S CB 1.482 64.784 63.200 0.169 0.000 1.112 478 S HN 0.738 nan 8.310 nan 0.000 0.466 479 D N 3.029 123.489 120.400 0.100 0.000 2.441 479 D HA 0.287 4.927 4.640 -0.000 0.000 0.243 479 D C -0.522 175.696 176.300 -0.137 0.000 1.257 479 D CA 0.376 54.346 54.000 -0.050 0.000 1.027 479 D CB -0.299 40.437 40.800 -0.107 0.000 1.084 479 D HN 0.394 nan 8.370 nan 0.000 0.514 480 M N 3.481 123.035 119.600 -0.076 0.000 2.294 480 M HA 0.358 4.838 4.480 -0.000 0.000 0.335 480 M C -0.775 175.450 176.300 -0.125 0.000 1.079 480 M CA -0.898 54.350 55.300 -0.087 0.000 0.982 480 M CB 1.882 34.438 32.600 -0.074 0.000 1.651 480 M HN 0.130 nan 8.290 nan 0.000 0.437 481 V N 1.415 121.258 119.914 -0.119 0.000 2.994 481 V HA 0.741 4.861 4.120 -0.000 0.000 0.318 481 V C -0.711 175.329 176.094 -0.090 0.000 1.085 481 V CA -1.080 61.159 62.300 -0.101 0.000 0.998 481 V CB 1.855 33.625 31.823 -0.089 0.000 1.063 481 V HN 0.882 nan 8.190 nan 0.000 0.447 482 R N 1.179 121.636 120.500 -0.072 0.000 2.387 482 R HA 0.718 5.058 4.340 -0.000 0.000 0.314 482 R C -1.718 174.566 176.300 -0.027 0.000 0.958 482 R CA -0.494 55.572 56.100 -0.057 0.000 0.846 482 R CB 1.808 32.073 30.300 -0.059 0.000 1.147 482 R HN 0.709 nan 8.270 nan 0.000 0.447 483 V N 5.214 125.122 119.914 -0.011 0.000 2.311 483 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 483 V C -0.427 175.673 176.094 0.010 0.000 1.022 483 V CA -0.704 61.598 62.300 0.004 0.000 0.830 483 V CB 1.170 33.001 31.823 0.013 0.000 1.012 483 V HN 0.799 nan 8.190 nan 0.000 0.452 484 D N 3.536 123.940 120.400 0.006 0.000 2.255 484 D HA 0.419 5.059 4.640 -0.000 0.000 0.249 484 D C -0.292 176.011 176.300 0.006 0.000 1.078 484 D CA -0.051 53.953 54.000 0.006 0.000 0.896 484 D CB 2.540 43.340 40.800 -0.000 0.000 1.194 484 D HN 0.253 nan 8.370 nan 0.000 0.429 485 V N 2.869 122.785 119.914 0.004 0.000 2.459 485 V HA 0.436 4.556 4.120 -0.000 0.000 0.295 485 V C 0.047 176.133 176.094 -0.013 0.000 1.029 485 V CA -0.831 61.469 62.300 -0.001 0.000 0.874 485 V CB 1.377 33.202 31.823 0.002 0.000 0.985 485 V HN 0.314 nan 8.190 nan 0.000 0.438 486 L N 4.927 126.140 121.223 -0.016 0.000 2.385 486 L HA 0.882 5.222 4.340 -0.000 0.000 0.273 486 L C -0.610 176.245 176.870 -0.026 0.000 0.990 486 L CA -0.690 54.135 54.840 -0.025 0.000 0.821 486 L CB 1.805 43.848 42.059 -0.026 0.000 1.279 486 L HN 0.699 nan 8.230 nan 0.000 0.412 487 I N 0.377 120.925 120.570 -0.035 0.000 2.569 487 I HA 0.622 4.792 4.170 -0.000 0.000 0.296 487 I C -0.316 175.778 176.117 -0.039 0.000 1.028 487 I CA -0.369 60.911 61.300 -0.033 0.000 1.082 487 I CB 1.987 39.968 38.000 -0.032 0.000 1.264 487 I HN 0.776 nan 8.210 nan 0.000 0.429 488 N N 4.444 123.125 118.700 -0.032 0.000 2.721 488 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 488 N C 0.986 176.469 175.510 -0.046 0.000 1.072 488 N CA 1.581 54.608 53.050 -0.039 0.000 0.710 488 N CB -1.104 37.355 38.487 -0.047 0.000 0.993 488 N HN 1.387 nan 8.380 nan 0.000 0.547 489 G N -1.332 107.445 108.800 -0.039 0.000 2.328 489 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.256 489 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.256 489 G C -0.061 174.813 174.900 -0.042 0.000 1.014 489 G CA 0.780 45.856 45.100 -0.039 0.000 0.620 489 G HN 0.558 nan 8.290 nan 0.000 0.530 490 E N 0.690 120.860 120.200 -0.049 0.000 2.283 490 E HA 0.379 4.729 4.350 -0.000 0.000 0.278 490 E C 0.425 176.994 176.600 -0.050 0.000 1.027 490 E CA -0.733 55.636 56.400 -0.053 0.000 0.843 490 E CB 1.017 30.679 29.700 -0.064 0.000 1.062 490 E HN 0.306 nan 8.360 nan 0.000 0.401 491 R N 2.351 122.823 120.500 -0.045 0.000 2.296 491 R HA 0.116 4.456 4.340 -0.000 0.000 0.323 491 R C -0.810 175.463 176.300 -0.047 0.000 1.067 491 R CA -0.188 55.889 56.100 -0.038 0.000 0.946 491 R CB 0.333 30.615 30.300 -0.030 0.000 0.991 491 R HN 0.226 nan 8.270 nan 0.000 0.448 492 V N 6.157 126.043 119.914 -0.046 0.000 2.270 492 V HA 0.033 4.153 4.120 -0.000 0.000 0.263 492 V C 0.458 176.537 176.094 -0.025 0.000 1.066 492 V CA -0.400 61.864 62.300 -0.059 0.000 0.857 492 V CB 0.928 32.701 31.823 -0.083 0.000 1.099 492 V HN 0.830 nan 8.190 nan 0.000 0.476 493 D N 4.274 124.669 120.400 -0.010 0.000 2.123 493 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 493 D C 2.194 178.529 176.300 0.059 0.000 0.992 493 D CA 1.714 55.728 54.000 0.023 0.000 0.833 493 D CB 0.067 40.885 40.800 0.029 0.000 0.954 493 D HN 0.623 nan 8.370 nan 0.000 0.455 494 A N 0.195 123.062 122.820 0.077 0.000 2.084 494 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 494 A C 1.965 179.639 177.584 0.150 0.000 1.161 494 A CA 0.992 53.130 52.037 0.168 0.000 0.653 494 A CB -0.317 18.831 19.000 0.247 0.000 0.802 494 A HN 0.172 nan 8.150 nan 0.000 0.457 495 L N -1.569 119.700 121.223 0.075 0.000 2.616 495 L HA 0.399 4.739 4.340 -0.000 0.000 0.229 495 L C 1.343 178.255 176.870 0.069 0.000 1.110 495 L CA 0.425 55.307 54.840 0.069 0.000 0.884 495 L CB -0.486 41.586 42.059 0.020 0.000 1.115 495 L HN 0.318 nan 8.230 nan 0.000 0.481 496 A N 0.317 123.176 122.820 0.066 0.000 2.445 496 A HA 0.492 4.812 4.320 -0.000 0.000 0.242 496 A C -0.421 177.208 177.584 0.075 0.000 1.075 496 A CA -0.058 52.012 52.037 0.055 0.000 0.777 496 A CB -0.050 18.975 19.000 0.042 0.000 1.013 496 A HN 0.245 nan 8.150 nan 0.000 0.493 497 L N -0.359 120.900 121.223 0.060 0.000 2.376 497 L HA 0.834 5.174 4.340 -0.000 0.000 0.258 497 L C -0.752 176.139 176.870 0.036 0.000 1.013 497 L CA -0.639 54.246 54.840 0.076 0.000 0.822 497 L CB 1.424 43.538 42.059 0.091 0.000 1.388 497 L HN 0.495 nan 8.230 nan 0.000 0.413 498 I N 0.882 121.477 120.570 0.042 0.000 2.362 498 I HA 0.679 4.849 4.170 -0.000 0.000 0.289 498 I C -0.158 175.976 176.117 0.030 0.000 0.994 498 I CA -0.102 61.158 61.300 -0.066 0.000 1.158 498 I CB 1.894 39.683 38.000 -0.352 0.000 1.315 498 I HN 0.831 nan 8.210 nan 0.000 0.451 499 T N 3.409 117.972 114.554 0.014 0.000 2.864 499 T HA 0.321 4.671 4.350 -0.000 0.000 0.299 499 T C -0.965 173.778 174.700 0.073 0.000 1.166 499 T CA -0.542 61.606 62.100 0.080 0.000 1.007 499 T CB 1.051 69.965 68.868 0.078 0.000 1.219 499 T HN 0.580 nan 8.240 nan 0.000 0.506 500 H N 1.987 121.074 119.070 0.028 0.000 2.815 500 H HA 0.362 4.918 4.556 -0.000 0.000 0.350 500 H C 1.708 177.037 175.328 0.003 0.000 1.080 500 H CA 0.356 56.413 56.048 0.015 0.000 1.433 500 H CB 0.725 30.502 29.762 0.024 0.000 1.432 500 H HN 0.528 nan 8.280 nan 0.000 0.592 501 R N 2.399 122.552 120.500 -0.579 0.000 2.133 501 R HA -0.218 4.122 4.340 -0.000 0.000 0.245 501 R C 1.088 177.290 176.300 -0.164 0.000 1.137 501 R CA 2.422 58.311 56.100 -0.352 0.000 0.947 501 R CB -0.249 29.811 30.300 -0.400 0.000 0.865 501 R HN 0.777 nan 8.270 nan 0.000 0.437 502 D N -0.474 119.874 120.400 -0.086 0.000 2.221 502 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 502 D C 0.369 176.706 176.300 0.062 0.000 0.982 502 D CA 1.247 55.286 54.000 0.065 0.000 0.857 502 D CB -0.114 40.807 40.800 0.201 0.000 0.934 502 D HN 0.283 nan 8.370 nan 0.000 0.475 503 N N -1.576 117.170 118.700 0.077 0.000 2.433 503 N HA 0.082 4.822 4.740 -0.000 0.000 0.270 503 N C 0.691 176.225 175.510 0.041 0.000 1.354 503 N CA -0.074 53.010 53.050 0.056 0.000 0.889 503 N CB 0.973 39.500 38.487 0.068 0.000 1.285 503 N HN -0.059 nan 8.380 nan 0.000 0.503 504 S N -0.357 115.352 115.700 0.016 0.000 2.387 504 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 504 S C 1.962 176.567 174.600 0.008 0.000 1.026 504 S CA 0.775 58.979 58.200 0.006 0.000 0.972 504 S CB -0.178 63.008 63.200 -0.025 0.000 0.814 504 S HN 0.314 nan 8.310 nan 0.000 0.477 505 Q N 2.493 122.295 119.800 0.003 0.000 2.061 505 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 505 Q C 1.924 177.933 176.000 0.016 0.000 0.984 505 Q CA 2.294 58.102 55.803 0.007 0.000 0.846 505 Q CB -0.928 27.811 28.738 0.002 0.000 0.902 505 Q HN 0.694 nan 8.270 nan 0.000 0.421 506 N N -1.288 117.424 118.700 0.021 0.000 2.142 506 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 506 N C 1.508 177.037 175.510 0.032 0.000 1.023 506 N CA 0.973 54.039 53.050 0.027 0.000 0.852 506 N CB 0.013 38.519 38.487 0.032 0.000 0.998 506 N HN 0.067 nan 8.380 nan 0.000 0.424 507 R N -0.263 120.259 120.500 0.037 0.000 2.148 507 R HA 0.108 4.448 4.340 -0.000 0.000 0.227 507 R C 2.034 178.357 176.300 0.038 0.000 1.103 507 R CA 0.990 57.116 56.100 0.043 0.000 0.983 507 R CB -0.924 29.407 30.300 0.051 0.000 0.874 507 R HN 0.302 nan 8.270 nan 0.000 0.451 508 G N 0.051 108.869 108.800 0.030 0.000 2.402 508 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 508 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 508 G C 1.531 176.446 174.900 0.025 0.000 1.162 508 G CA 0.207 45.323 45.100 0.026 0.000 0.777 508 G HN 0.162 nan 8.290 nan 0.000 0.539 509 R N 0.831 121.346 120.500 0.024 0.000 2.081 509 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 509 R C 2.428 178.744 176.300 0.025 0.000 1.131 509 R CA 1.701 57.815 56.100 0.022 0.000 0.960 509 R CB -0.454 29.858 30.300 0.020 0.000 0.856 509 R HN 0.511 nan 8.270 nan 0.000 0.436 510 E N 0.346 120.565 120.200 0.031 0.000 2.106 510 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 510 E C 2.088 178.711 176.600 0.039 0.000 0.984 510 E CA 0.834 57.255 56.400 0.036 0.000 0.806 510 E CB -0.112 29.613 29.700 0.042 0.000 0.750 510 E HN 0.257 nan 8.360 nan 0.000 0.458 511 L N 0.554 121.800 121.223 0.039 0.000 2.093 511 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 511 L C 2.216 179.105 176.870 0.032 0.000 1.085 511 L CA 0.691 55.555 54.840 0.040 0.000 0.755 511 L CB 0.066 42.149 42.059 0.041 0.000 0.904 511 L HN 0.053 nan 8.230 nan 0.000 0.435 512 V N -0.471 119.459 119.914 0.026 0.000 2.358 512 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 512 V C 2.476 178.583 176.094 0.021 0.000 1.047 512 V CA 1.447 63.759 62.300 0.020 0.000 1.035 512 V CB -0.496 31.337 31.823 0.016 0.000 0.658 512 V HN 0.426 nan 8.190 nan 0.000 0.452 513 E N 0.423 120.637 120.200 0.024 0.000 2.051 513 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 513 E C 2.152 178.772 176.600 0.032 0.000 0.991 513 E CA 1.268 57.682 56.400 0.024 0.000 0.799 513 E CB -0.370 29.345 29.700 0.024 0.000 0.748 513 E HN 0.552 nan 8.360 nan 0.000 0.449 514 K N 0.006 120.429 120.400 0.038 0.000 2.044 514 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 514 K C 2.055 178.680 176.600 0.042 0.000 1.049 514 K CA 1.439 57.753 56.287 0.045 0.000 0.927 514 K CB 0.014 32.544 32.500 0.051 0.000 0.713 514 K HN -0.002 nan 8.250 nan 0.000 0.443 515 M N 1.197 120.817 119.600 0.033 0.000 2.086 515 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 515 M C 1.880 178.195 176.300 0.025 0.000 1.067 515 M CA 1.567 56.882 55.300 0.025 0.000 1.116 515 M CB -0.881 31.728 32.600 0.015 0.000 1.348 515 M HN 0.065 nan 8.290 nan 0.000 0.407 516 K N 0.209 120.623 120.400 0.023 0.000 2.218 516 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 516 K C 1.449 178.067 176.600 0.030 0.000 1.046 516 K CA 1.177 57.477 56.287 0.021 0.000 0.933 516 K CB -0.251 32.257 32.500 0.014 0.000 0.728 516 K HN 0.417 nan 8.250 nan 0.000 0.454 517 D N 0.459 120.884 120.400 0.041 0.000 2.194 517 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 517 D C 1.733 178.069 176.300 0.061 0.000 0.964 517 D CA 0.801 54.839 54.000 0.062 0.000 0.846 517 D CB 0.186 41.031 40.800 0.075 0.000 0.962 517 D HN 0.201 nan 8.370 nan 0.000 0.490 518 L N 0.198 121.449 121.223 0.047 0.000 2.567 518 L HA 0.214 4.554 4.340 -0.000 0.000 0.225 518 L C 0.573 177.464 176.870 0.034 0.000 1.119 518 L CA 0.216 55.082 54.840 0.043 0.000 0.871 518 L CB 0.479 42.562 42.059 0.041 0.000 1.036 518 L HN -0.184 nan 8.230 nan 0.000 0.459 519 I N 1.889 122.477 120.570 0.030 0.000 2.466 519 I HA 0.276 4.446 4.170 -0.000 0.000 0.279 519 I C -2.169 173.963 176.117 0.026 0.000 1.033 519 I CA -1.755 59.559 61.300 0.025 0.000 1.123 519 I CB 1.905 39.915 38.000 0.017 0.000 1.237 519 I HN -0.174 nan 8.210 nan 0.000 0.460 520 P HA 0.204 nan 4.420 nan 0.000 0.274 520 P C -0.786 176.525 177.300 0.017 0.000 1.256 520 P CA -0.619 62.496 63.100 0.025 0.000 0.795 520 P CB 0.650 32.366 31.700 0.026 0.000 1.038 521 R N 1.366 121.872 120.500 0.010 0.000 2.404 521 R HA 0.110 4.450 4.340 -0.000 0.000 0.315 521 R C 0.751 177.048 176.300 -0.006 0.000 1.032 521 R CA 0.308 56.409 56.100 0.003 0.000 0.992 521 R CB 0.092 30.390 30.300 -0.003 0.000 0.959 521 R HN 0.573 nan 8.270 nan 0.000 0.428 522 Q N 1.196 120.990 119.800 -0.009 0.000 3.138 522 Q HA 0.118 4.458 4.340 -0.000 0.000 0.205 522 Q C 1.128 177.075 176.000 -0.088 0.000 1.131 522 Q CA -0.789 54.997 55.803 -0.029 0.000 0.558 522 Q CB 0.326 29.064 28.738 0.001 0.000 4.484 522 Q HN 0.506 nan 8.270 nan 0.000 0.324 523 Q N -0.419 119.287 119.800 -0.156 0.000 2.062 523 Q HA 0.036 4.376 4.340 -0.000 0.000 0.196 523 Q C -0.449 175.223 176.000 -0.547 0.000 0.967 523 Q CA 1.092 56.644 55.803 -0.419 0.000 0.832 523 Q CB 0.335 28.704 28.738 -0.616 0.000 0.899 523 Q HN 0.291 nan 8.270 nan 0.000 0.442 524 F N 1.051 120.998 119.950 -0.004 0.000 2.538 524 F HA 0.277 4.804 4.527 -0.000 0.000 0.325 524 F C -0.193 175.603 175.800 -0.007 0.000 1.066 524 F CA -1.473 56.524 58.000 -0.006 0.000 0.946 524 F CB 1.024 40.019 39.000 -0.008 0.000 1.199 524 F HN -0.132 nan 8.300 nan 0.000 0.473 525 D N 2.291 122.803 120.400 0.186 0.000 2.583 525 D HA 0.105 4.745 4.640 -0.000 0.000 0.232 525 D C -0.289 176.066 176.300 0.093 0.000 1.128 525 D CA 1.014 55.075 54.000 0.102 0.000 0.859 525 D CB 0.495 41.339 40.800 0.073 0.000 1.169 525 D HN 0.276 nan 8.370 nan 0.000 0.481 526 I N 1.721 122.327 120.570 0.059 0.000 2.382 526 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 526 I C 0.032 176.161 176.117 0.020 0.000 1.002 526 I CA -0.766 60.557 61.300 0.039 0.000 1.135 526 I CB 1.733 39.756 38.000 0.038 0.000 1.288 526 I HN 0.269 nan 8.210 nan 0.000 0.448 527 A N 8.092 130.918 122.820 0.009 0.000 2.260 527 A HA 0.772 5.092 4.320 -0.000 0.000 0.308 527 A C -0.441 177.141 177.584 -0.003 0.000 1.254 527 A CA -0.307 51.731 52.037 0.002 0.000 0.874 527 A CB 0.118 19.117 19.000 -0.002 0.000 1.153 527 A HN 0.685 nan 8.150 nan 0.000 0.527 528 I N 2.678 123.247 120.570 -0.001 0.000 2.378 528 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 528 I C -0.045 176.071 176.117 -0.000 0.000 0.992 528 I CA -0.298 61.001 61.300 -0.002 0.000 1.154 528 I CB 1.748 39.749 38.000 0.001 0.000 1.315 528 I HN 0.846 nan 8.210 nan 0.000 0.448 529 Q N 5.486 125.285 119.800 -0.002 0.000 2.359 529 Q HA 0.867 5.207 4.340 -0.000 0.000 0.274 529 Q C -1.537 174.465 176.000 0.003 0.000 1.074 529 Q CA -1.067 54.736 55.803 0.001 0.000 0.810 529 Q CB 2.490 31.227 28.738 -0.002 0.000 1.342 529 Q HN 0.644 nan 8.270 nan 0.000 0.427 530 A N 1.545 124.370 122.820 0.009 0.000 2.312 530 A HA 0.959 5.279 4.320 -0.000 0.000 0.328 530 A C -0.825 176.767 177.584 0.014 0.000 1.158 530 A CA -0.053 51.992 52.037 0.012 0.000 0.821 530 A CB 1.339 20.349 19.000 0.016 0.000 1.170 530 A HN 1.012 nan 8.150 nan 0.000 0.490 531 A N 1.276 124.105 122.820 0.015 0.000 2.594 531 A HA 0.699 5.019 4.320 -0.000 0.000 0.295 531 A C -1.177 176.421 177.584 0.023 0.000 1.071 531 A CA -0.406 51.644 52.037 0.023 0.000 0.685 531 A CB 0.892 19.901 19.000 0.015 0.000 1.285 531 A HN 0.757 nan 8.150 nan 0.000 0.405 532 I N 2.524 123.118 120.570 0.040 0.000 2.382 532 I HA 0.546 4.716 4.170 -0.000 0.000 0.285 532 I C 1.089 177.248 176.117 0.070 0.000 1.007 532 I CA 0.528 61.848 61.300 0.034 0.000 1.142 532 I CB 1.102 39.109 38.000 0.012 0.000 1.289 532 I HN 1.334 nan 8.210 nan 0.000 0.453 533 G N 4.816 113.641 108.800 0.042 0.000 2.591 533 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.298 533 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.298 533 G C 0.778 175.691 174.900 0.022 0.000 1.195 533 G CA 0.631 45.758 45.100 0.045 0.000 0.989 533 G HN 0.474 nan 8.290 nan 0.000 0.551 534 T N 1.088 115.640 114.554 -0.002 0.000 2.867 534 T HA 0.061 4.411 4.350 -0.000 0.000 0.268 534 T C 0.992 175.576 174.700 -0.193 0.000 1.057 534 T CA 1.955 63.967 62.100 -0.146 0.000 1.136 534 T CB -0.211 68.479 68.868 -0.297 0.000 0.874 534 T HN 0.632 nan 8.240 nan 0.000 0.466 535 H N 0.403 119.464 119.070 -0.015 0.000 2.800 535 H HA 0.378 4.934 4.556 -0.000 0.000 0.291 535 H C -0.012 175.308 175.328 -0.013 0.000 1.076 535 H CA -0.508 55.531 56.048 -0.014 0.000 1.452 535 H CB 0.032 29.785 29.762 -0.015 0.000 1.461 535 H HN 0.222 nan 8.280 nan 0.000 0.488 536 I N 5.134 125.744 120.570 0.067 0.000 2.533 536 I HA -0.048 4.122 4.170 -0.000 0.000 0.284 536 I C 1.309 177.458 176.117 0.053 0.000 1.109 536 I CA 0.391 61.716 61.300 0.042 0.000 1.412 536 I CB 0.522 38.531 38.000 0.015 0.000 1.396 536 I HN 0.743 nan 8.210 nan 0.000 0.543 537 I N 3.387 123.980 120.570 0.038 0.000 4.187 537 I HA 0.559 4.729 4.170 -0.000 0.000 0.326 537 I C 0.635 176.764 176.117 0.020 0.000 1.302 537 I CA 0.013 61.330 61.300 0.029 0.000 1.196 537 I CB 0.514 38.527 38.000 0.021 0.000 1.095 537 I HN 0.476 nan 8.210 nan 0.000 0.411 538 A N 1.471 124.302 122.820 0.018 0.000 2.491 538 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 538 A C -1.062 176.529 177.584 0.011 0.000 1.047 538 A CA -0.554 51.492 52.037 0.014 0.000 0.735 538 A CB 1.425 20.434 19.000 0.015 0.000 1.281 538 A HN 0.250 nan 8.150 nan 0.000 0.398 539 R N 1.334 121.840 120.500 0.009 0.000 2.628 539 R HA 0.783 5.123 4.340 -0.000 0.000 0.288 539 R C -1.433 174.870 176.300 0.006 0.000 0.980 539 R CA -0.192 55.912 56.100 0.006 0.000 0.891 539 R CB 2.153 32.455 30.300 0.004 0.000 1.188 539 R HN 0.750 nan 8.270 nan 0.000 0.450 540 S N 0.771 116.474 115.700 0.005 0.000 2.540 540 S HA 0.351 4.821 4.470 -0.000 0.000 0.275 540 S C -1.424 173.179 174.600 0.005 0.000 1.123 540 S CA -0.374 57.829 58.200 0.005 0.000 0.907 540 S CB 1.878 65.081 63.200 0.006 0.000 1.081 540 S HN 0.554 nan 8.310 nan 0.000 0.476 541 T N 3.182 117.740 114.554 0.006 0.000 2.864 541 T HA 0.440 4.790 4.350 -0.000 0.000 0.310 541 T C -0.687 174.020 174.700 0.010 0.000 1.040 541 T CA -0.456 61.650 62.100 0.009 0.000 0.977 541 T CB 0.158 69.031 68.868 0.009 0.000 0.976 541 T HN 0.383 nan 8.240 nan 0.000 0.459 542 V N 7.565 127.487 119.914 0.013 0.000 2.400 542 V HA 0.145 4.265 4.120 -0.000 0.000 0.263 542 V C 0.981 177.086 176.094 0.017 0.000 1.026 542 V CA -0.282 62.026 62.300 0.014 0.000 1.077 542 V CB -0.654 31.178 31.823 0.017 0.000 1.054 542 V HN 0.720 nan 8.190 nan 0.000 0.477 543 K N 4.902 125.308 120.400 0.011 0.000 2.485 543 K HA 0.059 4.379 4.320 -0.000 0.000 0.277 543 K C 0.641 177.246 176.600 0.008 0.000 0.990 543 K CA 0.137 56.430 56.287 0.011 0.000 0.994 543 K CB 0.582 33.084 32.500 0.004 0.000 0.906 543 K HN 0.905 nan 8.250 nan 0.000 0.488 544 Q N 1.208 121.014 119.800 0.009 0.000 2.454 544 Q HA 0.155 4.495 4.340 -0.000 0.000 0.247 544 Q C -0.246 175.738 176.000 -0.026 0.000 1.028 544 Q CA -0.722 55.075 55.803 -0.010 0.000 0.910 544 Q CB 0.394 29.124 28.738 -0.014 0.000 1.276 544 Q HN 0.152 nan 8.270 nan 0.000 0.489 545 L N 1.816 123.012 121.223 -0.046 0.000 2.452 545 L HA 0.232 4.572 4.340 -0.000 0.000 0.267 545 L C 0.750 177.590 176.870 -0.050 0.000 1.188 545 L CA 0.360 55.173 54.840 -0.044 0.000 0.821 545 L CB 0.586 42.614 42.059 -0.051 0.000 1.102 545 L HN 0.690 nan 8.230 nan 0.000 0.470 546 R N 1.131 121.608 120.500 -0.037 0.000 2.707 546 R HA 0.199 4.539 4.340 -0.000 0.000 0.270 546 R C -0.096 176.177 176.300 -0.044 0.000 1.083 546 R CA -0.588 55.490 56.100 -0.036 0.000 1.182 546 R CB 0.432 30.717 30.300 -0.024 0.000 1.084 546 R HN 0.549 nan 8.270 nan 0.000 0.528 547 K N 1.620 121.994 120.400 -0.043 0.000 2.355 547 K HA 0.035 4.355 4.320 -0.000 0.000 0.270 547 K C -0.135 176.445 176.600 -0.034 0.000 1.003 547 K CA -0.452 55.808 56.287 -0.045 0.000 0.957 547 K CB 0.329 32.805 32.500 -0.039 0.000 0.939 547 K HN 0.545 nan 8.250 nan 0.000 0.482 548 N N -1.667 117.013 118.700 -0.034 0.000 2.936 548 N HA -0.158 4.582 4.740 -0.000 0.000 0.236 548 N C -0.989 174.507 175.510 -0.023 0.000 0.930 548 N CA 1.165 54.200 53.050 -0.025 0.000 0.966 548 N CB -1.464 37.012 38.487 -0.018 0.000 1.090 548 N HN 0.391 nan 8.380 nan 0.000 0.592 549 V N 1.674 121.571 119.914 -0.027 0.000 2.439 549 V HA 0.360 4.480 4.120 -0.000 0.000 0.282 549 V C 0.959 177.039 176.094 -0.023 0.000 1.039 549 V CA -0.695 61.591 62.300 -0.022 0.000 0.913 549 V CB 1.574 33.383 31.823 -0.023 0.000 0.983 549 V HN 0.093 nan 8.190 nan 0.000 0.460 550 L N 3.982 125.196 121.223 -0.015 0.000 2.349 550 L HA 0.516 4.856 4.340 -0.000 0.000 0.275 550 L C 0.870 177.735 176.870 -0.008 0.000 1.115 550 L CA -0.243 54.590 54.840 -0.012 0.000 0.820 550 L CB 0.957 43.014 42.059 -0.005 0.000 1.135 550 L HN 0.778 nan 8.230 nan 0.000 0.445 551 A N 4.618 127.433 122.820 -0.009 0.000 2.492 551 A HA 0.364 4.684 4.320 -0.000 0.000 0.254 551 A C -0.136 177.453 177.584 0.009 0.000 1.091 551 A CA -0.042 51.995 52.037 -0.001 0.000 0.768 551 A CB 0.034 19.034 19.000 -0.002 0.000 1.028 551 A HN 0.779 nan 8.150 nan 0.000 0.498 552 K N 0.811 121.221 120.400 0.016 0.000 2.352 552 K HA 0.717 5.037 4.320 -0.000 0.000 0.240 552 K C -1.284 175.341 176.600 0.042 0.000 1.017 552 K CA -0.648 55.655 56.287 0.027 0.000 0.851 552 K CB 2.151 34.668 32.500 0.028 0.000 1.261 552 K HN 0.601 nan 8.250 nan 0.000 0.451 553 C N 0.963 120.295 119.300 0.054 0.000 2.797 553 C HA 0.336 4.796 4.460 -0.000 0.000 0.306 553 C C -1.146 173.917 174.990 0.122 0.000 1.207 553 C CA -0.878 58.188 59.018 0.079 0.000 1.507 553 C CB 0.772 28.544 27.740 0.054 0.000 2.028 553 C HN 0.802 nan 8.230 nan 0.000 0.475 554 Y N 2.062 122.365 120.300 0.005 0.000 2.359 554 Y HA 0.487 5.037 4.550 -0.000 0.000 0.330 554 Y C 0.734 176.637 175.900 0.005 0.000 1.143 554 Y CA 0.678 58.780 58.100 0.004 0.000 1.318 554 Y CB 0.501 38.964 38.460 0.005 0.000 1.234 554 Y HN 0.855 nan 8.280 nan 0.000 0.522 555 G N 0.000 108.490 108.800 -0.517 0.000 5.446 555 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 555 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 555 G CA 0.000 44.816 45.100 -0.473 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925