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_E 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 0.000 176.341 176.300 0.068 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 K N 1.256 121.693 120.400 0.062 0.000 2.211 2 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 2 K C 0.692 177.392 176.600 0.167 0.000 1.047 2 K CA 1.436 57.780 56.287 0.094 0.000 0.935 2 K CB -0.145 32.396 32.500 0.070 0.000 0.728 2 K HN 0.248 nan 8.250 nan 0.000 0.452 3 N N 0.088 118.854 118.700 0.111 0.000 2.322 3 N HA 0.139 4.879 4.740 -0.000 0.000 0.194 3 N C -0.408 175.262 175.510 0.266 0.000 1.126 3 N CA 0.241 53.375 53.050 0.140 0.000 0.845 3 N CB 0.376 38.744 38.487 -0.199 0.000 0.976 3 N HN 0.065 nan 8.380 nan 0.000 0.475 4 I N 1.021 121.711 120.570 0.200 0.000 2.385 4 I HA 0.304 4.474 4.170 -0.000 0.000 0.294 4 I C 0.001 176.236 176.117 0.196 0.000 0.988 4 I CA -0.695 60.714 61.300 0.182 0.000 1.265 4 I CB 0.990 39.057 38.000 0.113 0.000 1.388 4 I HN -0.206 nan 8.210 nan 0.000 0.480 5 R N 5.127 125.760 120.500 0.222 0.000 2.435 5 R HA 0.393 4.733 4.340 -0.000 0.000 0.308 5 R C -1.255 175.239 176.300 0.323 0.000 0.975 5 R CA -0.792 55.449 56.100 0.236 0.000 0.867 5 R CB 1.277 31.698 30.300 0.202 0.000 1.171 5 R HN 0.522 nan 8.270 nan 0.000 0.470 6 N N 4.222 123.076 118.700 0.256 0.000 2.419 6 N HA 0.448 5.188 4.740 -0.000 0.000 0.277 6 N C -0.478 175.217 175.510 0.308 0.000 1.006 6 N CA -0.163 53.013 53.050 0.210 0.000 0.923 6 N CB 1.304 39.855 38.487 0.106 0.000 1.140 6 N HN 0.387 nan 8.380 nan 0.000 0.488 7 F N -1.351 118.657 119.950 0.097 0.000 2.662 7 F HA 0.716 5.243 4.527 -0.000 0.000 0.312 7 F C -0.244 175.633 175.800 0.128 0.000 1.113 7 F CA -1.178 56.871 58.000 0.083 0.000 0.951 7 F CB 0.710 39.739 39.000 0.048 0.000 1.344 7 F HN 0.291 nan 8.300 nan 0.000 0.462 8 S N 0.612 116.428 115.700 0.194 0.000 2.759 8 S HA 0.874 5.344 4.470 -0.000 0.000 0.310 8 S C -1.032 173.675 174.600 0.178 0.000 1.123 8 S CA -0.850 57.420 58.200 0.117 0.000 0.959 8 S CB 2.049 65.297 63.200 0.079 0.000 1.172 8 S HN 0.710 nan 8.310 nan 0.000 0.539 9 I N 0.777 121.400 120.570 0.088 0.000 2.447 9 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 9 I C -1.308 174.818 176.117 0.015 0.000 1.023 9 I CA -0.631 60.687 61.300 0.031 0.000 1.083 9 I CB 1.635 39.583 38.000 -0.087 0.000 1.245 9 I HN 0.538 nan 8.210 nan 0.000 0.434 10 I N 6.066 126.640 120.570 0.006 0.000 2.355 10 I HA 0.764 4.934 4.170 -0.000 0.000 0.288 10 I C 0.138 176.250 176.117 -0.008 0.000 0.999 10 I CA -0.051 61.247 61.300 -0.004 0.000 1.163 10 I CB 1.491 39.481 38.000 -0.017 0.000 1.316 10 I HN 0.674 nan 8.210 nan 0.000 0.454 11 A N 5.066 127.889 122.820 0.006 0.000 2.534 11 A HA 0.595 4.914 4.320 -0.000 0.000 0.300 11 A C -0.635 176.998 177.584 0.082 0.000 1.223 11 A CA -0.366 51.684 52.037 0.021 0.000 0.666 11 A CB 1.710 20.706 19.000 -0.006 0.000 1.316 11 A HN 0.753 nan 8.150 nan 0.000 0.468 12 H N -0.657 118.396 119.070 -0.028 0.000 4.025 12 H HA 0.458 5.014 4.556 -0.000 0.000 0.129 12 H C 0.227 175.543 175.328 -0.019 0.000 1.189 12 H CA 0.496 56.532 56.048 -0.020 0.000 1.007 12 H CB 0.241 29.990 29.762 -0.021 0.000 1.335 12 H HN 0.562 nan 8.280 nan 0.000 0.302 19 T N -0.198 114.337 114.554 -0.033 0.000 2.887 19 T HA 0.656 5.006 4.350 -0.000 0.000 0.292 19 T C 0.824 175.493 174.700 -0.051 0.000 1.087 19 T CA -0.867 61.208 62.100 -0.043 0.000 1.009 19 T CB 1.154 69.993 68.868 -0.048 0.000 1.203 19 T HN 0.286 nan 8.240 nan 0.000 0.518 20 L N 1.403 122.584 121.223 -0.069 0.000 2.042 20 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 20 L C 2.784 179.581 176.870 -0.122 0.000 1.076 20 L CA 2.334 57.120 54.840 -0.090 0.000 0.749 20 L CB -0.896 41.101 42.059 -0.104 0.000 0.893 20 L HN 0.923 nan 8.230 nan 0.000 0.432 21 S N -0.506 115.100 115.700 -0.156 0.000 2.369 21 S HA -0.307 4.162 4.470 -0.000 0.000 0.225 21 S C 1.686 176.267 174.600 -0.032 0.000 1.043 21 S CA 2.194 60.279 58.200 -0.192 0.000 1.074 21 S CB -0.526 62.618 63.200 -0.092 0.000 0.962 21 S HN 0.655 nan 8.310 nan 0.000 0.433 22 D N 0.086 120.483 120.400 -0.005 0.000 2.097 22 D HA -0.035 4.605 4.640 -0.000 0.000 0.195 22 D C 2.345 178.655 176.300 0.016 0.000 0.989 22 D CA 1.177 55.189 54.000 0.020 0.000 0.827 22 D CB -0.140 40.662 40.800 0.003 0.000 0.966 22 D HN 0.374 nan 8.370 nan 0.000 0.456 23 R N -0.188 120.306 120.500 -0.010 0.000 2.189 23 R HA 0.104 4.444 4.340 -0.000 0.000 0.218 23 R C 2.132 178.429 176.300 -0.005 0.000 1.074 23 R CA 0.420 56.515 56.100 -0.008 0.000 0.991 23 R CB -0.043 30.244 30.300 -0.022 0.000 0.883 23 R HN 0.267 nan 8.270 nan 0.000 0.457 24 I N 0.256 120.817 120.570 -0.015 0.000 2.286 24 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 24 I C 1.914 178.071 176.117 0.067 0.000 1.104 24 I CA 1.213 62.513 61.300 -0.000 0.000 1.397 24 I CB -0.129 37.854 38.000 -0.029 0.000 1.072 24 I HN 0.110 nan 8.210 nan 0.000 0.417 25 I N 0.386 121.015 120.570 0.099 0.000 2.335 25 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 25 I C 2.534 178.703 176.117 0.086 0.000 1.129 25 I CA 1.373 62.747 61.300 0.123 0.000 1.402 25 I CB -0.345 37.733 38.000 0.130 0.000 1.069 25 I HN 0.333 nan 8.210 nan 0.000 0.424 26 Q N 0.571 120.408 119.800 0.061 0.000 2.083 26 Q HA -0.137 4.203 4.340 -0.000 0.000 0.198 26 Q C 2.320 178.355 176.000 0.059 0.000 0.969 26 Q CA 1.521 57.354 55.803 0.050 0.000 0.838 26 Q CB -0.081 28.677 28.738 0.033 0.000 0.900 26 Q HN 0.688 nan 8.270 nan 0.000 0.436 27 I N -2.838 117.770 120.570 0.063 0.000 3.291 27 I HA 0.002 4.172 4.170 -0.000 0.000 0.279 27 I C 0.875 177.070 176.117 0.131 0.000 1.294 27 I CA -0.012 61.339 61.300 0.085 0.000 1.428 27 I CB -0.017 38.026 38.000 0.071 0.000 1.070 27 I HN 0.038 nan 8.210 nan 0.000 0.478 28 C N 0.697 120.073 119.300 0.126 0.000 3.462 28 C HA 0.717 5.177 4.460 -0.000 0.000 0.298 28 C C 2.249 177.306 174.990 0.112 0.000 3.205 28 C CA 0.241 59.349 59.018 0.150 0.000 1.845 28 C CB 0.123 27.970 27.740 0.178 0.000 3.397 28 C HN 0.584 nan 8.230 nan 0.000 0.473 29 G N 0.481 109.348 108.800 0.111 0.000 3.087 29 G HA2 0.164 4.124 3.960 -0.000 0.000 0.316 29 G HA3 0.164 4.124 3.960 -0.000 0.000 0.316 29 G C 0.480 175.423 174.900 0.070 0.000 0.941 29 G CA 1.617 46.770 45.100 0.089 0.000 0.798 29 G HN 2.090 nan 8.290 nan 0.000 1.045 58 S N 0.464 115.909 115.700 -0.424 0.000 2.536 58 S HA 0.844 5.314 4.470 -0.000 0.000 0.298 58 S C -0.633 173.692 174.600 -0.459 0.000 1.083 58 S CA -0.467 57.445 58.200 -0.481 0.000 0.995 58 S CB 2.293 65.371 63.200 -0.202 0.000 1.058 58 S HN 0.197 nan 8.310 nan 0.000 0.488 59 V N 1.595 121.072 119.914 -0.728 0.000 2.841 59 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 59 V C -0.372 175.596 176.094 -0.210 0.000 1.090 59 V CA -0.693 61.377 62.300 -0.383 0.000 0.930 59 V CB 2.118 33.720 31.823 -0.368 0.000 1.014 59 V HN 1.022 nan 8.190 nan 0.000 0.425 60 T N 5.696 120.240 114.554 -0.016 0.000 2.771 60 T HA 0.794 5.144 4.350 -0.000 0.000 0.281 60 T C -0.472 174.279 174.700 0.086 0.000 0.982 60 T CA -0.210 61.912 62.100 0.036 0.000 0.978 60 T CB 0.771 69.661 68.868 0.037 0.000 0.930 60 T HN 0.410 nan 8.240 nan 0.000 0.447 61 L N 2.228 123.530 121.223 0.131 0.000 2.327 61 L HA 0.665 5.005 4.340 -0.000 0.000 0.258 61 L C -0.803 176.170 176.870 0.173 0.000 1.024 61 L CA -1.219 53.716 54.840 0.158 0.000 0.825 61 L CB 2.073 44.254 42.059 0.202 0.000 1.386 61 L HN 0.418 nan 8.230 nan 0.000 0.417 62 D N 0.305 120.806 120.400 0.169 0.000 2.391 62 D HA 0.381 5.021 4.640 -0.000 0.000 0.245 62 D C -1.618 174.829 176.300 0.245 0.000 1.069 62 D CA -0.035 54.071 54.000 0.177 0.000 0.831 62 D CB 2.138 43.001 40.800 0.105 0.000 1.204 62 D HN 0.262 nan 8.370 nan 0.000 0.503 63 Y N 1.321 121.700 120.300 0.130 0.000 2.346 63 Y HA 0.310 4.860 4.550 -0.000 0.000 0.332 63 Y C -0.604 175.386 175.900 0.149 0.000 0.985 63 Y CA -0.848 57.331 58.100 0.131 0.000 1.112 63 Y CB 1.199 39.742 38.460 0.139 0.000 1.170 63 Y HN 0.062 nan 8.280 nan 0.000 0.447 64 K N 5.111 125.256 120.400 -0.425 0.000 2.312 64 K HA 0.611 4.931 4.320 -0.000 0.000 0.287 64 K C -0.162 175.902 176.600 -0.892 0.000 1.062 64 K CA -0.101 55.924 56.287 -0.437 0.000 0.934 64 K CB 0.701 33.055 32.500 -0.243 0.000 1.027 64 K HN 0.785 nan 8.250 nan 0.000 0.478 65 A N 1.639 124.193 122.820 -0.443 0.000 2.257 65 A HA 0.159 4.479 4.320 -0.000 0.000 0.290 65 A C 1.223 178.753 177.584 -0.089 0.000 1.201 65 A CA -0.065 51.824 52.037 -0.247 0.000 0.863 65 A CB 0.309 19.419 19.000 0.182 0.000 1.256 65 A HN 0.786 nan 8.150 nan 0.000 0.506 66 S N -0.510 115.201 115.700 0.019 0.000 2.453 66 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 66 S C 0.990 175.606 174.600 0.027 0.000 1.005 66 S CA 1.441 59.654 58.200 0.021 0.000 0.949 66 S CB -0.548 62.675 63.200 0.039 0.000 0.774 66 S HN 0.804 nan 8.310 nan 0.000 0.510 67 D N 0.803 121.240 120.400 0.062 0.000 2.348 67 D HA 0.193 4.833 4.640 -0.000 0.000 0.216 67 D C 1.589 177.911 176.300 0.038 0.000 0.970 67 D CA 0.886 54.926 54.000 0.068 0.000 0.889 67 D CB -0.862 40.013 40.800 0.124 0.000 0.912 67 D HN 0.605 nan 8.370 nan 0.000 0.524 68 G N -0.213 108.595 108.800 0.014 0.000 2.241 68 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 68 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 68 G C 0.098 174.967 174.900 -0.052 0.000 0.998 68 G CA 0.149 45.233 45.100 -0.026 0.000 0.621 68 G HN 0.518 nan 8.290 nan 0.000 0.519 69 E N 1.177 121.350 120.200 -0.044 0.000 2.331 69 E HA 0.533 4.883 4.350 -0.000 0.000 0.272 69 E C 0.053 176.493 176.600 -0.266 0.000 1.036 69 E CA 0.082 56.375 56.400 -0.178 0.000 0.864 69 E CB 0.586 30.132 29.700 -0.256 0.000 1.035 69 E HN 0.139 nan 8.360 nan 0.000 0.408 70 T N 3.424 117.800 114.554 -0.295 0.000 2.817 70 T HA 0.241 4.591 4.350 -0.000 0.000 0.293 70 T C -1.024 173.497 174.700 -0.298 0.000 0.964 70 T CA -0.087 61.897 62.100 -0.193 0.000 1.085 70 T CB 0.107 68.915 68.868 -0.100 0.000 0.921 70 T HN 0.256 nan 8.240 nan 0.000 0.502 71 Y N 1.825 122.173 120.300 0.080 0.000 2.335 71 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 71 Y C 0.633 176.620 175.900 0.146 0.000 0.977 71 Y CA -0.937 57.238 58.100 0.124 0.000 1.114 71 Y CB 1.440 40.005 38.460 0.175 0.000 1.182 71 Y HN 0.514 nan 8.280 nan 0.000 0.463 72 Q N 4.455 124.401 119.800 0.243 0.000 2.307 72 Q HA 0.347 4.687 4.340 -0.000 0.000 0.261 72 Q C -1.482 174.664 176.000 0.244 0.000 1.051 72 Q CA -0.230 55.689 55.803 0.194 0.000 0.911 72 Q CB 0.385 29.194 28.738 0.119 0.000 1.227 72 Q HN 0.691 nan 8.270 nan 0.000 0.418 73 L N 4.482 125.863 121.223 0.262 0.000 2.282 73 L HA 0.438 4.778 4.340 -0.000 0.000 0.288 73 L C -0.304 176.697 176.870 0.218 0.000 1.033 73 L CA -0.645 54.397 54.840 0.337 0.000 0.807 73 L CB 1.125 43.441 42.059 0.429 0.000 1.209 73 L HN 0.583 nan 8.230 nan 0.000 0.423 74 N N 4.568 123.354 118.700 0.144 0.000 2.626 74 N HA 0.301 5.041 4.740 -0.000 0.000 0.249 74 N C -1.039 174.317 175.510 -0.257 0.000 1.021 74 N CA -0.280 52.748 53.050 -0.036 0.000 0.886 74 N CB 1.650 40.138 38.487 0.000 0.000 1.149 74 N HN 0.411 nan 8.380 nan 0.000 0.517 75 F N 1.042 120.679 119.950 -0.521 0.000 2.458 75 F HA 0.778 5.305 4.527 -0.000 0.000 0.330 75 F C -0.781 174.804 175.800 -0.359 0.000 1.082 75 F CA -0.981 56.537 58.000 -0.804 0.000 0.995 75 F CB 0.848 39.063 39.000 -1.307 0.000 1.170 75 F HN 0.040 nan 8.300 nan 0.000 0.478 76 I N 2.805 123.323 120.570 -0.088 0.000 2.474 76 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 76 I C -0.384 175.798 176.117 0.108 0.000 1.005 76 I CA -0.563 60.695 61.300 -0.071 0.000 1.113 76 I CB 1.343 39.314 38.000 -0.048 0.000 1.289 76 I HN 0.603 nan 8.210 nan 0.000 0.436 77 D N 3.067 123.495 120.400 0.047 0.000 2.372 77 D HA 0.186 4.825 4.640 -0.000 0.000 0.243 77 D C -0.642 175.673 176.300 0.025 0.000 1.121 77 D CA 0.281 54.326 54.000 0.075 0.000 0.898 77 D CB 0.914 41.714 40.800 0.000 0.000 1.202 77 D HN 0.469 nan 8.370 nan 0.000 0.428 78 T N 5.054 119.626 114.554 0.029 0.000 2.893 78 T HA 0.341 4.691 4.350 -0.000 0.000 0.324 78 T C -2.235 172.477 174.700 0.019 0.000 1.082 78 T CA -1.212 60.900 62.100 0.019 0.000 0.983 78 T CB 1.395 70.278 68.868 0.025 0.000 1.005 78 T HN 0.284 nan 8.240 nan 0.000 0.475 79 P HA 0.175 nan 4.420 nan 0.000 0.264 79 P C 0.732 178.101 177.300 0.114 0.000 1.193 79 P CA -0.101 63.029 63.100 0.049 0.000 0.763 79 P CB 0.633 32.341 31.700 0.014 0.000 0.810 80 G N 1.098 109.979 108.800 0.135 0.000 3.440 80 G HA2 0.076 4.036 3.960 -0.000 0.000 0.263 80 G HA3 0.076 4.036 3.960 -0.000 0.000 0.263 80 G C 0.006 175.010 174.900 0.174 0.000 1.236 80 G CA 0.156 45.332 45.100 0.127 0.000 0.927 80 G HN 0.600 nan 8.290 nan 0.000 0.530 81 H N -1.185 117.953 119.070 0.115 0.000 2.821 81 H HA 0.379 4.935 4.556 -0.000 0.000 0.373 81 H C 0.812 176.110 175.328 -0.050 0.000 1.165 81 H CA -0.615 55.446 56.048 0.022 0.000 1.154 81 H CB 2.303 32.056 29.762 -0.015 0.000 1.765 81 H HN -0.015 nan 8.280 nan 0.000 0.549 82 V N -0.277 119.310 119.914 -0.545 0.000 3.623 82 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 82 V C 0.892 176.808 176.094 -0.296 0.000 1.248 82 V CA 0.746 62.839 62.300 -0.345 0.000 1.156 82 V CB -0.045 31.547 31.823 -0.384 0.000 0.870 82 V HN 0.620 nan 8.190 nan 0.000 0.453 83 D N 1.643 121.874 120.400 -0.282 0.000 2.219 83 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 83 D C 1.051 176.989 176.300 -0.604 0.000 0.970 83 D CA 1.434 55.113 54.000 -0.536 0.000 0.851 83 D CB -0.154 40.168 40.800 -0.798 0.000 0.943 83 D HN 0.689 nan 8.370 nan 0.000 0.488 84 F N -0.588 119.378 119.950 0.026 0.000 2.772 84 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 84 F C 1.972 177.787 175.800 0.026 0.000 1.136 84 F CA -0.443 57.567 58.000 0.017 0.000 1.322 84 F CB 0.159 39.168 39.000 0.016 0.000 0.967 84 F HN -0.270 nan 8.300 nan 0.000 0.513 85 S N 0.771 116.518 115.700 0.077 0.000 2.378 85 S HA -0.342 4.128 4.470 -0.000 0.000 0.229 85 S C 2.148 176.816 174.600 0.114 0.000 1.052 85 S CA 2.215 60.449 58.200 0.057 0.000 1.084 85 S CB -0.432 62.773 63.200 0.007 0.000 0.950 85 S HN 0.614 nan 8.310 nan 0.000 0.440 86 Y N 1.948 122.262 120.300 0.022 0.000 2.097 86 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 86 Y C 2.246 178.178 175.900 0.053 0.000 1.152 86 Y CA 2.355 60.471 58.100 0.026 0.000 1.136 86 Y CB -0.800 37.661 38.460 0.003 0.000 0.975 86 Y HN 0.383 nan 8.280 nan 0.000 0.498 87 E N -0.555 119.656 120.200 0.018 0.000 2.114 87 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 87 E C 2.219 178.769 176.600 -0.083 0.000 1.008 87 E CA 1.975 58.334 56.400 -0.070 0.000 0.810 87 E CB -0.355 29.396 29.700 0.086 0.000 0.739 87 E HN 0.403 nan 8.360 nan 0.000 0.456 88 V N 1.370 121.283 119.914 -0.001 0.000 2.295 88 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 88 V C 2.586 178.656 176.094 -0.040 0.000 1.049 88 V CA 2.016 64.314 62.300 -0.002 0.000 1.024 88 V CB -0.715 31.128 31.823 0.035 0.000 0.648 88 V HN 0.378 nan 8.190 nan 0.000 0.447 89 S N 0.339 116.002 115.700 -0.060 0.000 2.399 89 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 89 S C 2.041 176.580 174.600 -0.102 0.000 1.022 89 S CA 0.884 59.049 58.200 -0.058 0.000 0.983 89 S CB -0.383 62.803 63.200 -0.024 0.000 0.803 89 S HN 0.452 nan 8.310 nan 0.000 0.480 90 R N 1.369 121.742 120.500 -0.212 0.000 2.148 90 R HA 0.238 4.578 4.340 -0.000 0.000 0.223 90 R C 2.514 178.761 176.300 -0.089 0.000 1.088 90 R CA 1.056 57.039 56.100 -0.195 0.000 0.985 90 R CB -1.423 28.671 30.300 -0.345 0.000 0.880 90 R HN 0.506 nan 8.270 nan 0.000 0.451 91 S N 1.264 116.922 115.700 -0.070 0.000 2.371 91 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 91 S C 2.060 176.654 174.600 -0.010 0.000 1.029 91 S CA 0.714 58.897 58.200 -0.028 0.000 0.978 91 S CB -0.082 63.106 63.200 -0.021 0.000 0.833 91 S HN 0.164 nan 8.310 nan 0.000 0.466 92 L N 1.284 122.501 121.223 -0.010 0.000 2.093 92 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 92 L C 2.694 179.574 176.870 0.016 0.000 1.085 92 L CA 1.053 55.900 54.840 0.011 0.000 0.755 92 L CB -0.635 41.431 42.059 0.011 0.000 0.904 92 L HN 0.298 nan 8.230 nan 0.000 0.435 93 A N 0.097 122.918 122.820 0.002 0.000 2.024 93 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 93 A C 2.290 179.886 177.584 0.020 0.000 1.164 93 A CA 1.708 53.752 52.037 0.012 0.000 0.643 93 A CB -0.567 18.435 19.000 0.003 0.000 0.806 93 A HN 0.409 nan 8.150 nan 0.000 0.451 94 A N -2.045 120.785 122.820 0.016 0.000 2.251 94 A HA 0.375 4.695 4.320 -0.000 0.000 0.209 94 A C 0.700 178.304 177.584 0.033 0.000 1.187 94 A CA 0.487 52.536 52.037 0.021 0.000 0.823 94 A CB -0.638 18.370 19.000 0.013 0.000 0.846 94 A HN 0.504 nan 8.150 nan 0.000 0.486 95 C N -2.240 117.087 119.300 0.045 0.000 2.771 95 C HA 0.651 5.111 4.460 -0.000 0.000 0.333 95 C C 1.105 176.140 174.990 0.076 0.000 1.267 95 C CA -0.419 58.642 59.018 0.072 0.000 1.721 95 C CB 1.723 29.517 27.740 0.089 0.000 2.222 95 C HN 0.563 nan 8.230 nan 0.000 0.485 96 E N -0.047 120.211 120.200 0.097 0.000 2.389 96 E HA 0.315 4.665 4.350 -0.000 0.000 0.199 96 E C 0.816 177.462 176.600 0.078 0.000 0.978 96 E CA 0.501 56.948 56.400 0.079 0.000 0.912 96 E CB 0.486 30.233 29.700 0.078 0.000 0.907 96 E HN 0.877 nan 8.360 nan 0.000 0.494 97 G N -0.759 108.108 108.800 0.111 0.000 2.866 97 G HA2 0.773 4.733 3.960 -0.000 0.000 0.289 97 G HA3 0.773 4.733 3.960 -0.000 0.000 0.289 97 G C -1.488 173.496 174.900 0.139 0.000 1.396 97 G CA -0.300 44.856 45.100 0.093 0.000 0.848 97 G HN 0.123 nan 8.290 nan 0.000 0.515 98 A N -0.624 122.254 122.820 0.096 0.000 2.547 98 A HA 0.702 5.022 4.320 -0.000 0.000 0.297 98 A C -1.238 176.376 177.584 0.049 0.000 1.056 98 A CA -0.542 51.564 52.037 0.116 0.000 0.688 98 A CB 1.175 20.220 19.000 0.076 0.000 1.282 98 A HN 0.741 nan 8.150 nan 0.000 0.400 99 L N 1.989 123.250 121.223 0.063 0.000 2.275 99 L HA 0.457 4.797 4.340 -0.000 0.000 0.288 99 L C -0.492 176.372 176.870 -0.011 0.000 1.046 99 L CA -0.726 54.106 54.840 -0.014 0.000 0.805 99 L CB 1.363 43.395 42.059 -0.045 0.000 1.193 99 L HN 0.655 nan 8.230 nan 0.000 0.426 100 L N 5.651 126.857 121.223 -0.028 0.000 2.270 100 L HA 0.345 4.685 4.340 -0.000 0.000 0.286 100 L C -0.393 176.455 176.870 -0.036 0.000 1.059 100 L CA -0.049 54.772 54.840 -0.031 0.000 0.839 100 L CB 1.118 43.156 42.059 -0.034 0.000 1.221 100 L HN 0.267 nan 8.230 nan 0.000 0.431 101 V N 6.448 126.342 119.914 -0.033 0.000 2.353 101 V HA 0.348 4.468 4.120 -0.000 0.000 0.264 101 V C -0.024 176.056 176.094 -0.022 0.000 1.049 101 V CA -0.462 61.818 62.300 -0.034 0.000 0.896 101 V CB 1.118 32.916 31.823 -0.041 0.000 1.025 101 V HN 0.489 nan 8.190 nan 0.000 0.475 102 V N 3.904 123.804 119.914 -0.023 0.000 2.448 102 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 102 V C 0.060 176.147 176.094 -0.012 0.000 1.025 102 V CA -0.789 61.502 62.300 -0.016 0.000 0.859 102 V CB 1.924 33.734 31.823 -0.021 0.000 0.988 102 V HN 0.829 nan 8.190 nan 0.000 0.431 103 D N 3.722 124.121 120.400 -0.002 0.000 2.487 103 D HA 0.123 4.763 4.640 -0.000 0.000 0.243 103 D C 1.076 177.375 176.300 -0.003 0.000 1.154 103 D CA 0.524 54.523 54.000 -0.000 0.000 0.876 103 D CB 1.873 42.680 40.800 0.011 0.000 1.161 103 D HN 0.673 nan 8.370 nan 0.000 0.478 104 A N 3.130 125.947 122.820 -0.004 0.000 2.172 104 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 104 A C 1.514 179.099 177.584 0.001 0.000 1.154 104 A CA 1.151 53.186 52.037 -0.004 0.000 0.701 104 A CB 0.047 19.043 19.000 -0.006 0.000 0.789 104 A HN 0.581 nan 8.150 nan 0.000 0.465 105 G N -2.368 106.435 108.800 0.004 0.000 4.100 105 G HA2 0.404 4.364 3.960 -0.000 0.000 0.294 105 G HA3 0.404 4.364 3.960 -0.000 0.000 0.294 105 G C 0.647 175.553 174.900 0.011 0.000 1.040 105 G CA 0.005 45.110 45.100 0.008 0.000 0.829 105 G HN 0.210 nan 8.290 nan 0.000 0.505 106 Q N -0.534 119.272 119.800 0.009 0.000 2.427 106 Q HA 0.270 4.610 4.340 -0.000 0.000 0.249 106 Q C 0.960 176.961 176.000 0.001 0.000 0.783 106 Q CA 0.873 56.681 55.803 0.008 0.000 0.978 106 Q CB 1.960 30.704 28.738 0.011 0.000 1.273 106 Q HN 0.746 nan 8.270 nan 0.000 0.524 107 G N 1.131 109.929 108.800 -0.004 0.000 2.746 107 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.685 107 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.685 107 G C -0.636 174.246 174.900 -0.029 0.000 1.350 107 G CA -0.210 44.883 45.100 -0.011 0.000 0.837 107 G HN 0.206 nan 8.290 nan 0.000 0.564 108 V N 1.229 121.120 119.914 -0.039 0.000 2.715 108 V HA 0.610 4.730 4.120 -0.000 0.000 0.299 108 V C 0.691 176.737 176.094 -0.079 0.000 1.054 108 V CA 0.887 63.151 62.300 -0.060 0.000 1.077 108 V CB 0.997 32.780 31.823 -0.066 0.000 0.972 108 V HN 1.029 nan 8.190 nan 0.000 0.484 109 E N 4.786 124.923 120.200 -0.106 0.000 2.369 109 E HA 0.621 4.971 4.350 -0.000 0.000 0.270 109 E C 0.551 177.078 176.600 -0.122 0.000 0.909 109 E CA -0.354 55.970 56.400 -0.127 0.000 0.775 109 E CB 1.941 31.516 29.700 -0.208 0.000 1.270 109 E HN 0.600 nan 8.360 nan 0.000 0.445 110 A N 1.647 124.414 122.820 -0.087 0.000 1.997 110 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 110 A C 2.156 179.690 177.584 -0.083 0.000 1.172 110 A CA 2.195 54.196 52.037 -0.060 0.000 0.645 110 A CB -0.817 18.188 19.000 0.009 0.000 0.813 110 A HN 0.729 nan 8.150 nan 0.000 0.454 111 Q N 0.065 119.824 119.800 -0.067 0.000 2.096 111 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 111 Q C 1.920 177.879 176.000 -0.068 0.000 0.982 111 Q CA 2.260 58.042 55.803 -0.035 0.000 0.850 111 Q CB -1.788 26.979 28.738 0.049 0.000 0.901 111 Q HN 0.747 nan 8.270 nan 0.000 0.422 112 T N -1.182 113.320 114.554 -0.087 0.000 2.985 112 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 112 T C 2.106 176.672 174.700 -0.224 0.000 1.076 112 T CA 0.467 62.502 62.100 -0.109 0.000 1.135 112 T CB -0.280 68.542 68.868 -0.078 0.000 0.890 112 T HN 0.178 nan 8.240 nan 0.000 0.480 113 L N 0.785 121.827 121.223 -0.300 0.000 2.072 113 L HA 0.130 4.470 4.340 -0.000 0.000 0.205 113 L C 3.343 179.678 176.870 -0.893 0.000 1.079 113 L CA 1.130 55.601 54.840 -0.615 0.000 0.752 113 L CB -0.762 41.033 42.059 -0.440 0.000 0.906 113 L HN 0.370 nan 8.230 nan 0.000 0.436 114 A N 0.384 122.937 122.820 -0.445 0.000 1.877 114 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 114 A C 2.005 179.456 177.584 -0.222 0.000 1.186 114 A CA 1.955 53.819 52.037 -0.288 0.000 0.620 114 A CB -0.541 18.355 19.000 -0.174 0.000 0.822 114 A HN 0.413 nan 8.150 nan 0.000 0.443 115 N N -0.769 117.817 118.700 -0.190 0.000 2.331 115 N HA -0.102 4.638 4.740 -0.000 0.000 0.180 115 N C 1.600 177.036 175.510 -0.122 0.000 1.019 115 N CA 1.153 54.136 53.050 -0.112 0.000 0.881 115 N CB -0.899 37.547 38.487 -0.069 0.000 0.972 115 N HN 0.571 nan 8.380 nan 0.000 0.435 116 C N 0.132 119.291 119.300 -0.235 0.000 2.446 116 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 116 C C 2.358 177.297 174.990 -0.084 0.000 1.275 116 C CA 0.329 59.227 59.018 -0.200 0.000 1.727 116 C CB -1.197 26.359 27.740 -0.307 0.000 2.010 116 C HN 0.476 nan 8.230 nan 0.000 0.486 117 Y N 1.164 121.440 120.300 -0.040 0.000 2.200 117 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 117 Y C 2.846 178.731 175.900 -0.025 0.000 1.137 117 Y CA 1.405 59.482 58.100 -0.039 0.000 1.163 117 Y CB -0.716 37.705 38.460 -0.066 0.000 0.988 117 Y HN 0.402 nan 8.280 nan 0.000 0.518 118 T N -1.441 113.179 114.554 0.110 0.000 2.962 118 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 118 T C 1.937 176.666 174.700 0.048 0.000 1.088 118 T CA 0.808 62.947 62.100 0.064 0.000 1.127 118 T CB -0.385 68.505 68.868 0.036 0.000 0.883 118 T HN 0.370 nan 8.240 nan 0.000 0.493 119 A N 1.176 124.019 122.820 0.038 0.000 2.016 119 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 119 A C 2.300 179.911 177.584 0.046 0.000 1.162 119 A CA 0.785 52.843 52.037 0.034 0.000 0.662 119 A CB -0.547 18.465 19.000 0.019 0.000 0.812 119 A HN 0.502 nan 8.150 nan 0.000 0.450 120 M N -1.384 118.255 119.600 0.064 0.000 2.486 120 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 120 M C 1.679 178.012 176.300 0.056 0.000 1.125 120 M CA 0.657 55.995 55.300 0.065 0.000 1.144 120 M CB -0.047 32.606 32.600 0.090 0.000 1.353 120 M HN 0.406 nan 8.290 nan 0.000 0.466 121 E N 0.613 120.849 120.200 0.061 0.000 2.268 121 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 121 E C 0.249 176.874 176.600 0.042 0.000 0.995 121 E CA 0.617 57.045 56.400 0.048 0.000 0.836 121 E CB 0.108 29.838 29.700 0.051 0.000 0.763 121 E HN 0.470 nan 8.360 nan 0.000 0.491 122 M N 0.553 120.179 119.600 0.043 0.000 2.409 122 M HA 0.149 4.629 4.480 -0.000 0.000 0.329 122 M C -0.522 175.800 176.300 0.037 0.000 1.180 122 M CA -0.454 54.869 55.300 0.039 0.000 1.053 122 M CB 1.217 33.840 32.600 0.039 0.000 1.586 122 M HN -0.292 nan 8.290 nan 0.000 0.461 123 D N 2.817 123.237 120.400 0.035 0.000 2.688 123 D HA 0.248 4.888 4.640 -0.000 0.000 0.228 123 D C -0.782 175.538 176.300 0.034 0.000 1.116 123 D CA 0.303 54.323 54.000 0.032 0.000 1.023 123 D CB -0.333 40.484 40.800 0.029 0.000 1.100 123 D HN 0.279 nan 8.370 nan 0.000 0.487 124 L N 0.901 122.146 121.223 0.036 0.000 2.289 124 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 124 L C 0.848 177.737 176.870 0.032 0.000 1.049 124 L CA -0.835 54.029 54.840 0.040 0.000 0.804 124 L CB 1.287 43.374 42.059 0.047 0.000 1.195 124 L HN 0.001 nan 8.230 nan 0.000 0.428 125 E N 3.022 123.239 120.200 0.027 0.000 2.159 125 E HA 0.109 4.459 4.350 -0.000 0.000 0.272 125 E C -0.668 175.935 176.600 0.006 0.000 1.138 125 E CA -0.086 56.321 56.400 0.012 0.000 0.915 125 E CB 1.217 30.917 29.700 0.000 0.000 1.028 125 E HN 0.224 nan 8.360 nan 0.000 0.423 126 V N 4.378 124.294 119.914 0.004 0.000 2.461 126 V HA 0.137 4.257 4.120 -0.000 0.000 0.275 126 V C 0.384 176.464 176.094 -0.023 0.000 1.047 126 V CA -0.553 61.746 62.300 -0.003 0.000 0.955 126 V CB 1.590 33.416 31.823 0.005 0.000 0.988 126 V HN 0.286 nan 8.190 nan 0.000 0.471 127 V N 7.976 127.866 119.914 -0.041 0.000 2.384 127 V HA 0.391 4.511 4.120 -0.000 0.000 0.287 127 V C -2.202 173.858 176.094 -0.056 0.000 1.020 127 V CA -1.786 60.477 62.300 -0.062 0.000 0.850 127 V CB 2.001 33.760 31.823 -0.106 0.000 0.987 127 V HN 0.761 nan 8.190 nan 0.000 0.436 128 P HA 0.342 nan 4.420 nan 0.000 0.281 128 P C -1.005 176.265 177.300 -0.050 0.000 1.252 128 P CA -0.197 62.879 63.100 -0.041 0.000 0.778 128 P CB 1.557 33.240 31.700 -0.029 0.000 0.895 129 V N 4.877 124.762 119.914 -0.048 0.000 2.525 129 V HA 0.273 4.393 4.120 -0.000 0.000 0.299 129 V C 0.248 176.319 176.094 -0.040 0.000 1.034 129 V CA -0.605 61.664 62.300 -0.052 0.000 0.863 129 V CB 1.740 33.522 31.823 -0.067 0.000 0.999 129 V HN 0.352 nan 8.190 nan 0.000 0.423 130 L N 4.879 126.081 121.223 -0.035 0.000 2.302 130 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 130 L C 0.522 177.376 176.870 -0.026 0.000 1.090 130 L CA 0.228 55.053 54.840 -0.026 0.000 0.866 130 L CB 0.057 42.103 42.059 -0.021 0.000 1.244 130 L HN 0.667 nan 8.230 nan 0.000 0.435 131 N N 3.541 122.226 118.700 -0.025 0.000 2.508 131 N HA 0.195 4.935 4.740 -0.000 0.000 0.285 131 N C -0.461 175.038 175.510 -0.017 0.000 1.144 131 N CA -0.611 52.425 53.050 -0.025 0.000 0.978 131 N CB 0.636 39.106 38.487 -0.028 0.000 1.180 131 N HN 0.468 nan 8.380 nan 0.000 0.484 132 K N 1.829 122.220 120.400 -0.016 0.000 3.239 132 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 132 K C 0.246 176.840 176.600 -0.009 0.000 1.083 132 K CA 0.186 56.466 56.287 -0.011 0.000 0.782 132 K CB -1.684 30.811 32.500 -0.008 0.000 1.290 132 K HN 0.550 nan 8.250 nan 0.000 0.474 133 I N -2.559 118.005 120.570 -0.010 0.000 3.688 133 I HA 0.050 4.220 4.170 -0.000 0.000 0.307 133 I C 0.610 176.724 176.117 -0.006 0.000 1.287 133 I CA 0.454 61.749 61.300 -0.008 0.000 1.192 133 I CB 0.056 38.051 38.000 -0.009 0.000 1.043 133 I HN 0.039 nan 8.210 nan 0.000 0.442 134 D N 0.394 120.791 120.400 -0.005 0.000 2.470 134 D HA 0.256 4.896 4.640 -0.000 0.000 0.238 134 D C 0.965 177.264 176.300 -0.002 0.000 1.054 134 D CA 0.181 54.179 54.000 -0.004 0.000 0.896 134 D CB 0.154 40.951 40.800 -0.004 0.000 1.118 134 D HN 0.264 nan 8.370 nan 0.000 0.497 135 L N 3.001 124.224 121.223 -0.002 0.000 2.529 135 L HA 0.041 4.381 4.340 -0.000 0.000 0.287 135 L C -1.299 175.572 176.870 0.002 0.000 1.241 135 L CA -0.672 54.169 54.840 0.000 0.000 0.857 135 L CB 0.097 42.157 42.059 0.001 0.000 1.113 135 L HN -0.045 nan 8.230 nan 0.000 0.504 136 P HA 0.005 nan 4.420 nan 0.000 0.269 136 P C 0.154 177.457 177.300 0.006 0.000 1.461 136 P CA 0.449 63.552 63.100 0.004 0.000 0.809 136 P CB 0.294 31.997 31.700 0.004 0.000 1.503 137 A N -1.304 121.520 122.820 0.006 0.000 2.736 137 A HA 0.502 4.822 4.320 -0.000 0.000 0.222 137 A C 0.912 178.501 177.584 0.008 0.000 1.267 137 A CA 0.159 52.202 52.037 0.009 0.000 1.026 137 A CB -0.170 18.837 19.000 0.011 0.000 1.281 137 A HN 0.235 nan 8.150 nan 0.000 0.577 138 A N 0.703 123.526 122.820 0.005 0.000 2.524 138 A HA 0.446 4.766 4.320 -0.000 0.000 0.250 138 A C -0.425 177.161 177.584 0.004 0.000 1.078 138 A CA 0.578 52.617 52.037 0.003 0.000 0.761 138 A CB -0.019 18.982 19.000 0.000 0.000 1.012 138 A HN 0.199 nan 8.150 nan 0.000 0.500 139 D N 3.593 123.996 120.400 0.004 0.000 2.375 139 D HA 0.375 5.015 4.640 -0.000 0.000 0.259 139 D C -2.128 174.174 176.300 0.003 0.000 1.235 139 D CA -1.639 52.364 54.000 0.005 0.000 0.924 139 D CB 1.521 42.325 40.800 0.008 0.000 1.143 139 D HN 0.141 nan 8.370 nan 0.000 0.529 140 P HA -0.075 nan 4.420 nan 0.000 0.218 140 P C 0.935 178.235 177.300 0.000 0.000 1.149 140 P CA 0.879 63.978 63.100 -0.002 0.000 0.817 140 P CB 0.814 32.512 31.700 -0.003 0.000 0.785 141 E N -0.711 119.491 120.200 0.003 0.000 2.016 141 E HA -0.104 4.245 4.350 -0.000 0.000 0.190 141 E C 2.224 178.829 176.600 0.008 0.000 0.985 141 E CA 0.925 57.328 56.400 0.005 0.000 0.802 141 E CB -0.679 29.025 29.700 0.006 0.000 0.762 141 E HN -0.007 nan 8.360 nan 0.000 0.448 142 R N 0.460 120.966 120.500 0.010 0.000 2.096 142 R HA -0.092 4.247 4.340 -0.000 0.000 0.235 142 R C 2.015 178.323 176.300 0.013 0.000 1.127 142 R CA 1.089 57.198 56.100 0.014 0.000 0.968 142 R CB -0.232 30.078 30.300 0.017 0.000 0.861 142 R HN 0.120 nan 8.270 nan 0.000 0.440 143 V N 0.947 120.866 119.914 0.008 0.000 2.307 143 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 143 V C 2.545 178.640 176.094 0.001 0.000 1.045 143 V CA 1.747 64.049 62.300 0.003 0.000 1.024 143 V CB -0.750 31.072 31.823 -0.001 0.000 0.651 143 V HN 0.453 nan 8.190 nan 0.000 0.449 144 A N -0.457 122.364 122.820 0.001 0.000 1.986 144 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 144 A C 2.165 179.753 177.584 0.006 0.000 1.171 144 A CA 2.068 54.105 52.037 0.001 0.000 0.640 144 A CB -0.416 18.584 19.000 -0.000 0.000 0.811 144 A HN 0.660 nan 8.150 nan 0.000 0.451 145 E N -0.773 119.434 120.200 0.012 0.000 2.112 145 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 145 E C 1.978 178.593 176.600 0.024 0.000 0.979 145 E CA 0.777 57.189 56.400 0.020 0.000 0.814 145 E CB -0.128 29.587 29.700 0.024 0.000 0.762 145 E HN 0.707 nan 8.360 nan 0.000 0.460 146 E N 0.706 120.917 120.200 0.018 0.000 2.085 146 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 146 E C 2.100 178.697 176.600 -0.006 0.000 0.994 146 E CA 0.930 57.337 56.400 0.010 0.000 0.801 146 E CB -0.066 29.636 29.700 0.003 0.000 0.743 146 E HN 0.276 nan 8.360 nan 0.000 0.453 147 I N 0.582 121.149 120.570 -0.005 0.000 2.315 147 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 147 I C 2.476 178.599 176.117 0.009 0.000 1.117 147 I CA 1.015 62.311 61.300 -0.007 0.000 1.404 147 I CB -0.142 37.852 38.000 -0.010 0.000 1.071 147 I HN 0.071 nan 8.210 nan 0.000 0.419 148 E N 0.863 121.073 120.200 0.016 0.000 2.152 148 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 148 E C 1.645 178.271 176.600 0.042 0.000 0.983 148 E CA 1.275 57.691 56.400 0.027 0.000 0.818 148 E CB 0.151 29.865 29.700 0.023 0.000 0.758 148 E HN 0.394 nan 8.360 nan 0.000 0.467 149 D N -0.424 120.006 120.400 0.050 0.000 2.110 149 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 149 D C 1.800 178.161 176.300 0.100 0.000 0.975 149 D CA 1.243 55.298 54.000 0.091 0.000 0.839 149 D CB 0.108 40.979 40.800 0.118 0.000 0.996 149 D HN 0.187 nan 8.370 nan 0.000 0.464 150 I N -0.463 120.103 120.570 -0.007 0.000 2.235 150 I HA -0.125 4.045 4.170 -0.000 0.000 0.241 150 I C 2.366 178.509 176.117 0.042 0.000 1.085 150 I CA 0.391 61.601 61.300 -0.149 0.000 1.378 150 I CB -0.243 37.538 38.000 -0.365 0.000 1.076 150 I HN -0.042 nan 8.210 nan 0.000 0.415 151 V N 0.659 120.611 119.914 0.063 0.000 2.283 151 V HA 0.011 4.131 4.120 -0.000 0.000 0.243 151 V C 1.398 177.570 176.094 0.130 0.000 1.039 151 V CA 1.696 64.087 62.300 0.150 0.000 1.016 151 V CB -0.958 30.902 31.823 0.061 0.000 0.650 151 V HN 0.758 nan 8.190 nan 0.000 0.449 152 G N 0.310 109.154 108.800 0.073 0.000 2.427 152 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.193 152 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.193 152 G C -0.732 174.194 174.900 0.042 0.000 1.086 152 G CA -0.133 44.999 45.100 0.055 0.000 0.818 152 G HN 0.284 nan 8.290 nan 0.000 0.490 153 I N 0.274 120.864 120.570 0.033 0.000 2.569 153 I HA 0.448 4.618 4.170 -0.000 0.000 0.296 153 I C -0.108 176.017 176.117 0.013 0.000 1.028 153 I CA -1.283 60.029 61.300 0.021 0.000 1.082 153 I CB 1.995 40.004 38.000 0.015 0.000 1.264 153 I HN 0.176 nan 8.210 nan 0.000 0.429 154 D N 5.462 125.867 120.400 0.008 0.000 2.398 154 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 154 D C 0.355 176.654 176.300 -0.002 0.000 1.287 154 D CA 0.302 54.304 54.000 0.004 0.000 0.992 154 D CB 0.635 41.437 40.800 0.003 0.000 1.071 154 D HN 0.559 nan 8.370 nan 0.000 0.514 155 A N 2.918 125.737 122.820 -0.001 0.000 2.500 155 A HA 0.096 4.416 4.320 -0.000 0.000 0.267 155 A C 1.812 179.392 177.584 -0.007 0.000 1.290 155 A CA 0.103 52.136 52.037 -0.007 0.000 0.928 155 A CB -0.357 18.640 19.000 -0.006 0.000 1.066 155 A HN 0.569 nan 8.150 nan 0.000 0.516 156 T N -3.098 111.453 114.554 -0.004 0.000 2.962 156 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 156 T C 0.844 175.539 174.700 -0.007 0.000 1.088 156 T CA 1.653 63.750 62.100 -0.004 0.000 1.127 156 T CB -0.101 68.767 68.868 -0.001 0.000 0.883 156 T HN 0.276 nan 8.240 nan 0.000 0.493 157 D N 0.990 121.383 120.400 -0.012 0.000 2.623 157 D HA 0.478 5.118 4.640 -0.000 0.000 0.252 157 D C 0.211 176.498 176.300 -0.022 0.000 1.294 157 D CA -0.460 53.531 54.000 -0.015 0.000 0.824 157 D CB 0.018 40.809 40.800 -0.015 0.000 1.070 157 D HN 0.532 nan 8.370 nan 0.000 0.487 158 A N 0.352 123.159 122.820 -0.022 0.000 2.520 158 A HA 0.317 4.637 4.320 -0.000 0.000 0.245 158 A C 0.465 178.030 177.584 -0.032 0.000 1.072 158 A CA -0.178 51.841 52.037 -0.029 0.000 0.761 158 A CB 0.340 19.325 19.000 -0.026 0.000 1.004 158 A HN 0.115 nan 8.150 nan 0.000 0.499 159 V N 4.457 124.345 119.914 -0.043 0.000 2.655 159 V HA 0.239 4.359 4.120 -0.000 0.000 0.300 159 V C 0.797 176.866 176.094 -0.041 0.000 1.044 159 V CA 0.118 62.392 62.300 -0.045 0.000 1.095 159 V CB 0.260 32.047 31.823 -0.061 0.000 0.952 159 V HN 0.984 nan 8.190 nan 0.000 0.485 160 R N 3.940 124.420 120.500 -0.034 0.000 2.562 160 R HA 0.803 5.143 4.340 -0.000 0.000 0.298 160 R C -0.865 175.417 176.300 -0.029 0.000 0.961 160 R CA -0.627 55.456 56.100 -0.030 0.000 0.881 160 R CB 1.386 31.673 30.300 -0.021 0.000 1.159 160 R HN 0.760 nan 8.270 nan 0.000 0.450 161 C N -0.843 118.439 119.300 -0.031 0.000 2.994 161 C HA 0.761 5.221 4.460 -0.000 0.000 0.304 161 C C 0.149 175.125 174.990 -0.024 0.000 1.273 161 C CA -1.025 57.975 59.018 -0.030 0.000 1.537 161 C CB 1.725 29.440 27.740 -0.041 0.000 2.001 161 C HN 0.904 nan 8.230 nan 0.000 0.471 162 S N 0.195 115.883 115.700 -0.020 0.000 2.608 162 S HA 0.686 5.156 4.470 -0.000 0.000 0.291 162 S C 0.725 175.314 174.600 -0.017 0.000 1.146 162 S CA 0.209 58.400 58.200 -0.016 0.000 1.043 162 S CB 1.448 64.641 63.200 -0.011 0.000 1.037 162 S HN 1.689 nan 8.310 nan 0.000 0.520 163 A N 3.609 126.420 122.820 -0.016 0.000 2.140 163 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 163 A C 1.791 179.368 177.584 -0.012 0.000 1.181 163 A CA 0.135 52.163 52.037 -0.016 0.000 0.824 163 A CB -0.140 18.850 19.000 -0.017 0.000 0.879 163 A HN 0.855 nan 8.150 nan 0.000 0.480 164 K N -0.105 120.290 120.400 -0.009 0.000 2.076 164 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 164 K C 2.081 178.678 176.600 -0.005 0.000 1.051 164 K CA 1.828 58.111 56.287 -0.007 0.000 0.949 164 K CB -0.108 32.389 32.500 -0.005 0.000 0.726 164 K HN 0.633 nan 8.250 nan 0.000 0.443 165 T N -4.020 110.531 114.554 -0.005 0.000 3.044 165 T HA 0.235 4.585 4.350 -0.000 0.000 0.237 165 T C 1.540 176.239 174.700 -0.002 0.000 1.001 165 T CA 0.667 62.766 62.100 -0.002 0.000 1.160 165 T CB 0.584 69.451 68.868 -0.002 0.000 0.889 165 T HN 0.282 nan 8.240 nan 0.000 0.442 166 G N 1.217 110.014 108.800 -0.005 0.000 2.192 166 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.193 166 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.193 166 G C 0.141 175.037 174.900 -0.007 0.000 0.999 166 G CA -0.063 45.033 45.100 -0.007 0.000 0.659 166 G HN 1.456 nan 8.290 nan 0.000 0.503 167 V N -1.133 118.778 119.914 -0.006 0.000 2.715 167 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 167 V C 1.573 177.659 176.094 -0.014 0.000 1.054 167 V CA 1.082 63.379 62.300 -0.005 0.000 1.077 167 V CB 1.088 32.909 31.823 -0.002 0.000 0.972 167 V HN 2.197 nan 8.190 nan 0.000 0.484 168 G N 2.298 111.089 108.800 -0.015 0.000 2.299 168 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 168 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 168 G C 0.610 175.483 174.900 -0.044 0.000 1.027 168 G CA 0.419 45.503 45.100 -0.027 0.000 0.619 168 G HN 1.230 nan 8.290 nan 0.000 0.513 169 V N 1.145 121.033 119.914 -0.043 0.000 2.407 169 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 169 V C 2.653 178.694 176.094 -0.089 0.000 1.055 169 V CA 2.949 65.210 62.300 -0.064 0.000 1.049 169 V CB -0.262 31.532 31.823 -0.048 0.000 0.662 169 V HN 0.619 nan 8.190 nan 0.000 0.455 170 Q N -0.331 119.438 119.800 -0.052 0.000 2.123 170 Q HA -0.212 4.128 4.340 -0.000 0.000 0.199 170 Q C 1.865 177.826 176.000 -0.065 0.000 0.966 170 Q CA 1.645 57.419 55.803 -0.047 0.000 0.845 170 Q CB -0.029 28.743 28.738 0.058 0.000 0.907 170 Q HN 0.632 nan 8.270 nan 0.000 0.439 171 D N -0.239 120.136 120.400 -0.042 0.000 2.218 171 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 171 D C 1.865 178.111 176.300 -0.089 0.000 0.976 171 D CA 0.644 54.618 54.000 -0.043 0.000 0.853 171 D CB -0.035 40.748 40.800 -0.029 0.000 0.939 171 D HN 0.119 nan 8.370 nan 0.000 0.481 172 V N 0.688 120.531 119.914 -0.119 0.000 2.261 172 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 172 V C 2.448 178.402 176.094 -0.233 0.000 1.047 172 V CA 1.138 63.342 62.300 -0.161 0.000 1.015 172 V CB -0.403 31.324 31.823 -0.160 0.000 0.642 172 V HN 0.126 nan 8.190 nan 0.000 0.446 173 L N -0.235 120.807 121.223 -0.303 0.000 2.079 173 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 173 L C 2.558 179.221 176.870 -0.346 0.000 1.081 173 L CA 1.731 56.296 54.840 -0.457 0.000 0.752 173 L CB -0.888 40.680 42.059 -0.819 0.000 0.896 173 L HN 0.315 nan 8.230 nan 0.000 0.433 174 E N -0.585 119.503 120.200 -0.186 0.000 2.038 174 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 174 E C 2.382 178.922 176.600 -0.100 0.000 1.000 174 E CA 1.205 57.580 56.400 -0.042 0.000 0.803 174 E CB -0.207 29.504 29.700 0.019 0.000 0.750 174 E HN 0.250 nan 8.360 nan 0.000 0.448 175 R N 1.227 121.655 120.500 -0.120 0.000 2.081 175 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 175 R C 2.453 178.656 176.300 -0.162 0.000 1.131 175 R CA 0.990 57.018 56.100 -0.120 0.000 0.960 175 R CB -0.927 29.306 30.300 -0.111 0.000 0.856 175 R HN 0.219 nan 8.270 nan 0.000 0.436 176 L N -0.330 120.755 121.223 -0.230 0.000 2.012 176 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 176 L C 1.936 178.653 176.870 -0.254 0.000 1.073 176 L CA 1.571 56.230 54.840 -0.301 0.000 0.748 176 L CB -0.253 41.527 42.059 -0.465 0.000 0.891 176 L HN 0.103 nan 8.230 nan 0.000 0.431 177 V N -0.350 119.407 119.914 -0.262 0.000 2.427 177 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 177 V C 2.642 178.602 176.094 -0.223 0.000 1.051 177 V CA 1.965 64.079 62.300 -0.310 0.000 1.048 177 V CB -0.792 30.716 31.823 -0.524 0.000 0.666 177 V HN 0.474 nan 8.190 nan 0.000 0.456 178 R N -0.078 120.323 120.500 -0.165 0.000 2.081 178 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 178 R C 1.774 178.029 176.300 -0.075 0.000 1.131 178 R CA 2.030 58.069 56.100 -0.101 0.000 0.960 178 R CB -0.060 30.193 30.300 -0.077 0.000 0.856 178 R HN 0.522 nan 8.270 nan 0.000 0.436 179 D N -0.462 119.888 120.400 -0.083 0.000 2.394 179 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 179 D C 0.429 176.701 176.300 -0.047 0.000 0.990 179 D CA 0.285 54.251 54.000 -0.058 0.000 0.902 179 D CB 0.353 41.117 40.800 -0.059 0.000 1.038 179 D HN 0.145 nan 8.370 nan 0.000 0.499 180 I N 4.287 124.819 120.570 -0.064 0.000 2.517 180 I HA 0.090 4.260 4.170 -0.000 0.000 0.285 180 I C -2.046 174.068 176.117 -0.006 0.000 1.106 180 I CA -1.534 59.747 61.300 -0.032 0.000 1.402 180 I CB 0.707 38.682 38.000 -0.042 0.000 1.399 180 I HN -0.201 nan 8.210 nan 0.000 0.535 181 P HA 0.182 nan 4.420 nan 0.000 0.271 181 P C -2.536 174.795 177.300 0.051 0.000 1.218 181 P CA -1.432 61.686 63.100 0.030 0.000 0.780 181 P CB -0.078 31.641 31.700 0.030 0.000 0.901 182 P HA 0.178 nan 4.420 nan 0.000 0.272 182 P C -2.318 175.022 177.300 0.066 0.000 1.230 182 P CA -1.547 61.601 63.100 0.080 0.000 0.788 182 P CB -1.030 30.723 31.700 0.088 0.000 0.949 183 P HA 0.177 nan 4.420 nan 0.000 0.272 183 P C -0.390 176.936 177.300 0.043 0.000 1.230 183 P CA 0.343 63.475 63.100 0.054 0.000 0.788 183 P CB 0.926 32.658 31.700 0.053 0.000 0.949 184 E N -0.423 119.798 120.200 0.035 0.000 2.336 184 E HA 0.706 5.056 4.350 -0.000 0.000 0.267 184 E C -0.449 176.164 176.600 0.023 0.000 0.906 184 E CA -0.934 55.483 56.400 0.028 0.000 0.781 184 E CB 2.144 31.861 29.700 0.028 0.000 1.261 184 E HN 0.762 nan 8.360 nan 0.000 0.436 185 G N 1.425 110.236 108.800 0.018 0.000 2.326 185 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.413 185 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.413 185 G C -1.783 173.123 174.900 0.010 0.000 1.444 185 G CA -0.989 44.120 45.100 0.014 0.000 1.002 185 G HN 0.454 nan 8.290 nan 0.000 0.649 186 D N 0.878 121.282 120.400 0.007 0.000 2.249 186 D HA 0.474 5.114 4.640 -0.000 0.000 0.246 186 D C -1.238 175.062 176.300 -0.000 0.000 1.114 186 D CA -1.784 52.218 54.000 0.003 0.000 0.854 186 D CB 2.250 43.052 40.800 0.003 0.000 1.132 186 D HN -0.020 nan 8.370 nan 0.000 0.461 187 P HA -0.036 nan 4.420 nan 0.000 0.221 187 P C 0.668 177.963 177.300 -0.009 0.000 1.150 187 P CA 0.749 63.845 63.100 -0.007 0.000 0.800 187 P CB 0.580 32.275 31.700 -0.008 0.000 0.787 188 E N -0.562 119.634 120.200 -0.007 0.000 2.442 188 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 188 E C 1.337 177.933 176.600 -0.007 0.000 1.030 188 E CA 0.012 56.408 56.400 -0.008 0.000 0.869 188 E CB -0.837 28.859 29.700 -0.006 0.000 0.857 188 E HN 0.108 nan 8.360 nan 0.000 0.505 189 G N 1.835 110.632 108.800 -0.005 0.000 2.699 189 G HA2 0.147 4.107 3.960 -0.000 0.000 0.246 189 G HA3 0.147 4.107 3.960 -0.000 0.000 0.246 189 G C -2.238 172.659 174.900 -0.006 0.000 1.219 189 G CA -0.956 44.142 45.100 -0.004 0.000 0.866 189 G HN 0.005 nan 8.290 nan 0.000 0.572 190 P HA 0.056 nan 4.420 nan 0.000 0.268 190 P C 0.256 177.551 177.300 -0.008 0.000 1.205 190 P CA -0.315 62.780 63.100 -0.007 0.000 0.771 190 P CB 0.887 32.583 31.700 -0.006 0.000 0.858 191 L N 3.340 124.556 121.223 -0.011 0.000 2.513 191 L HA -0.004 4.336 4.340 -0.000 0.000 0.272 191 L C 0.235 177.098 176.870 -0.012 0.000 1.187 191 L CA 0.724 55.556 54.840 -0.014 0.000 0.895 191 L CB -0.142 41.907 42.059 -0.017 0.000 1.147 191 L HN 0.465 nan 8.230 nan 0.000 0.483 192 Q N 4.562 124.356 119.800 -0.011 0.000 2.414 192 Q HA 0.496 4.836 4.340 -0.000 0.000 0.256 192 Q C -1.141 174.853 176.000 -0.010 0.000 0.974 192 Q CA -0.452 55.345 55.803 -0.009 0.000 0.723 192 Q CB 2.073 30.809 28.738 -0.002 0.000 1.281 192 Q HN 0.746 nan 8.270 nan 0.000 0.470 193 A N 2.715 125.526 122.820 -0.015 0.000 2.304 193 A HA 0.601 4.920 4.320 -0.000 0.000 0.314 193 A C -1.186 176.392 177.584 -0.011 0.000 1.187 193 A CA -0.589 51.439 52.037 -0.015 0.000 0.810 193 A CB 0.781 19.767 19.000 -0.024 0.000 1.183 193 A HN 0.648 nan 8.150 nan 0.000 0.487 194 L N 3.298 124.520 121.223 -0.001 0.000 2.319 194 L HA 0.477 4.817 4.340 -0.000 0.000 0.280 194 L C -0.560 176.317 176.870 0.011 0.000 1.099 194 L CA -0.140 54.705 54.840 0.008 0.000 0.828 194 L CB 0.460 42.528 42.059 0.015 0.000 1.150 194 L HN 0.584 nan 8.230 nan 0.000 0.442 195 I N 6.886 127.465 120.570 0.015 0.000 2.406 195 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 195 I C 1.133 177.272 176.117 0.037 0.000 1.101 195 I CA 0.708 62.023 61.300 0.025 0.000 1.334 195 I CB 0.515 38.530 38.000 0.025 0.000 1.421 195 I HN 0.694 nan 8.210 nan 0.000 0.513 196 I N 3.455 124.052 120.570 0.045 0.000 2.277 196 I HA -0.029 4.141 4.170 -0.000 0.000 0.243 196 I C 0.554 176.708 176.117 0.062 0.000 1.094 196 I CA 1.117 62.442 61.300 0.041 0.000 1.393 196 I CB 0.032 38.065 38.000 0.054 0.000 1.078 196 I HN 0.595 nan 8.210 nan 0.000 0.417 197 D N -1.249 119.225 120.400 0.123 0.000 2.648 197 D HA 0.365 5.005 4.640 -0.000 0.000 0.244 197 D C -1.530 174.887 176.300 0.195 0.000 1.244 197 D CA -0.279 53.828 54.000 0.177 0.000 0.772 197 D CB 1.906 42.842 40.800 0.227 0.000 1.379 197 D HN -0.180 nan 8.370 nan 0.000 0.428 198 S N 1.190 116.996 115.700 0.177 0.000 2.575 198 S HA 0.750 5.220 4.470 -0.000 0.000 0.278 198 S C -1.347 173.358 174.600 0.175 0.000 1.139 198 S CA -0.943 57.265 58.200 0.013 0.000 0.954 198 S CB 0.853 64.013 63.200 -0.067 0.000 1.054 198 S HN 0.474 nan 8.310 nan 0.000 0.483 199 W N 1.512 122.824 121.300 0.019 0.000 2.962 199 W HA 0.829 5.489 4.660 -0.000 0.000 0.341 199 W C -1.602 174.968 176.519 0.085 0.000 1.155 199 W CA -1.400 55.965 57.345 0.034 0.000 1.165 199 W CB 0.440 29.895 29.460 -0.007 0.000 1.435 199 W HN 0.490 nan 8.180 nan 0.000 0.546 200 F N 3.425 123.456 119.950 0.134 0.000 2.410 200 F HA 0.312 4.839 4.527 -0.000 0.000 0.349 200 F C -0.052 175.830 175.800 0.137 0.000 1.117 200 F CA -0.496 57.529 58.000 0.042 0.000 1.104 200 F CB 0.633 39.651 39.000 0.031 0.000 1.122 200 F HN 0.428 nan 8.300 nan 0.000 0.483 201 D N 4.755 124.811 120.400 -0.573 0.000 2.193 201 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 201 D C 0.469 176.406 176.300 -0.604 0.000 1.064 201 D CA -0.247 53.544 54.000 -0.348 0.000 0.845 201 D CB 1.197 41.879 40.800 -0.197 0.000 1.148 201 D HN 0.567 nan 8.370 nan 0.000 0.464 202 N N 2.157 120.725 118.700 -0.221 0.000 2.272 202 N HA -0.209 4.531 4.740 -0.000 0.000 0.185 202 N C 1.028 176.512 175.510 -0.043 0.000 1.014 202 N CA 0.975 53.972 53.050 -0.089 0.000 0.870 202 N CB -0.076 38.434 38.487 0.039 0.000 0.975 202 N HN 0.590 nan 8.380 nan 0.000 0.433 203 Y N -0.714 119.477 120.300 -0.182 0.000 2.607 203 Y HA 0.249 4.799 4.550 -0.000 0.000 0.276 203 Y C 1.585 177.391 175.900 -0.157 0.000 1.117 203 Y CA 0.113 58.136 58.100 -0.128 0.000 1.273 203 Y CB -0.121 38.285 38.460 -0.089 0.000 1.282 203 Y HN -0.176 nan 8.280 nan 0.000 0.514 204 L N 0.454 121.526 121.223 -0.251 0.000 2.341 204 L HA 0.327 4.667 4.340 -0.000 0.000 0.214 204 L C 1.358 178.023 176.870 -0.341 0.000 1.115 204 L CA 1.290 55.944 54.840 -0.311 0.000 0.820 204 L CB -0.713 41.230 42.059 -0.193 0.000 0.944 204 L HN 0.503 nan 8.230 nan 0.000 0.452 205 G N -1.074 107.435 108.800 -0.485 0.000 2.568 205 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.222 205 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.222 205 G C -0.409 174.203 174.900 -0.481 0.000 1.321 205 G CA -0.534 44.262 45.100 -0.507 0.000 0.893 205 G HN -0.050 nan 8.290 nan 0.000 0.569 206 V N 0.426 120.251 119.914 -0.148 0.000 2.540 206 V HA 0.390 4.510 4.120 -0.000 0.000 0.297 206 V C 0.906 176.808 176.094 -0.320 0.000 1.024 206 V CA 0.152 62.368 62.300 -0.140 0.000 1.105 206 V CB 0.815 32.613 31.823 -0.041 0.000 0.938 206 V HN 0.929 nan 8.190 nan 0.000 0.482 207 V N 4.473 124.048 119.914 -0.565 0.000 2.540 207 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 207 V C 0.041 175.563 176.094 -0.953 0.000 1.035 207 V CA -0.361 61.511 62.300 -0.712 0.000 0.873 207 V CB 2.094 33.417 31.823 -0.834 0.000 0.992 207 V HN 0.882 nan 8.190 nan 0.000 0.428 208 S N 3.926 119.306 115.700 -0.534 0.000 2.537 208 S HA 0.725 5.195 4.470 -0.000 0.000 0.301 208 S C -0.783 173.728 174.600 -0.148 0.000 1.092 208 S CA -0.497 57.483 58.200 -0.367 0.000 1.048 208 S CB 1.796 64.890 63.200 -0.178 0.000 1.053 208 S HN 0.570 nan 8.310 nan 0.000 0.501 209 L N 3.509 124.759 121.223 0.046 0.000 2.272 209 L HA 0.612 4.952 4.340 -0.000 0.000 0.289 209 L C -1.131 175.810 176.870 0.118 0.000 1.032 209 L CA -0.073 54.912 54.840 0.242 0.000 0.810 209 L CB 0.237 42.556 42.059 0.432 0.000 1.205 209 L HN 0.599 nan 8.230 nan 0.000 0.422 210 I N 4.771 125.390 120.570 0.082 0.000 2.603 210 I HA 0.536 4.706 4.170 -0.000 0.000 0.300 210 I C -0.247 175.882 176.117 0.019 0.000 1.017 210 I CA -0.961 60.355 61.300 0.026 0.000 1.098 210 I CB 1.756 39.747 38.000 -0.016 0.000 1.279 210 I HN 0.474 nan 8.210 nan 0.000 0.437 211 R N 6.003 126.510 120.500 0.011 0.000 2.393 211 R HA 0.438 4.778 4.340 -0.000 0.000 0.315 211 R C -1.016 175.283 176.300 -0.003 0.000 0.952 211 R CA -0.848 55.255 56.100 0.005 0.000 0.842 211 R CB 1.258 31.566 30.300 0.013 0.000 1.163 211 R HN 0.478 nan 8.270 nan 0.000 0.450 212 I N 6.083 126.646 120.570 -0.011 0.000 2.347 212 I HA 0.067 4.236 4.170 -0.000 0.000 0.294 212 I C 1.377 177.493 176.117 -0.001 0.000 1.090 212 I CA 0.077 61.369 61.300 -0.013 0.000 1.314 212 I CB 0.751 38.737 38.000 -0.024 0.000 1.423 212 I HN 0.392 nan 8.210 nan 0.000 0.503 213 K N 3.962 124.363 120.400 0.002 0.000 2.242 213 K HA 0.095 4.415 4.320 -0.000 0.000 0.200 213 K C 0.391 176.995 176.600 0.007 0.000 1.050 213 K CA 0.521 56.814 56.287 0.009 0.000 0.981 213 K CB 0.216 32.723 32.500 0.013 0.000 0.795 213 K HN 0.526 nan 8.250 nan 0.000 0.477 214 N N -1.468 117.233 118.700 0.001 0.000 2.484 214 N HA 0.376 5.116 4.740 -0.000 0.000 0.269 214 N C -0.754 174.752 175.510 -0.007 0.000 1.237 214 N CA 0.695 53.745 53.050 -0.000 0.000 0.838 214 N CB 1.853 40.342 38.487 0.002 0.000 1.593 214 N HN 0.200 nan 8.380 nan 0.000 0.485 215 G N 0.126 108.921 108.800 -0.007 0.000 2.698 215 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.233 215 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.233 215 G C -1.238 173.651 174.900 -0.018 0.000 1.352 215 G CA -0.036 45.056 45.100 -0.012 0.000 0.879 215 G HN 0.741 nan 8.290 nan 0.000 0.567 216 T N 0.216 114.756 114.554 -0.023 0.000 3.011 216 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 216 T C -0.764 173.914 174.700 -0.038 0.000 0.997 216 T CA -0.305 61.776 62.100 -0.031 0.000 1.007 216 T CB 1.655 70.506 68.868 -0.029 0.000 1.017 216 T HN 1.172 nan 8.240 nan 0.000 0.443 217 L N 4.787 125.981 121.223 -0.050 0.000 2.262 217 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 217 L C 0.057 176.884 176.870 -0.071 0.000 1.035 217 L CA -0.066 54.739 54.840 -0.058 0.000 0.820 217 L CB 0.177 42.196 42.059 -0.065 0.000 1.204 217 L HN 0.521 nan 8.230 nan 0.000 0.424 218 R N 3.176 123.640 120.500 -0.060 0.000 2.700 218 R HA 0.383 4.723 4.340 -0.000 0.000 0.253 218 R C 0.721 176.981 176.300 -0.067 0.000 1.091 218 R CA -0.799 55.262 56.100 -0.064 0.000 1.104 218 R CB 1.069 31.340 30.300 -0.049 0.000 1.202 218 R HN 0.549 nan 8.270 nan 0.000 0.532 219 K N 0.714 121.073 120.400 -0.068 0.000 1.965 219 K HA -0.132 4.188 4.320 -0.000 0.000 0.218 219 K C 1.972 178.547 176.600 -0.043 0.000 1.048 219 K CA 1.955 58.204 56.287 -0.065 0.000 0.960 219 K CB -0.771 31.693 32.500 -0.059 0.000 0.732 219 K HN 0.767 nan 8.250 nan 0.000 0.444 220 G N 1.360 110.140 108.800 -0.032 0.000 2.499 220 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.221 220 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.221 220 G C -0.054 174.836 174.900 -0.017 0.000 1.109 220 G CA 0.562 45.649 45.100 -0.021 0.000 0.749 220 G HN 0.415 nan 8.290 nan 0.000 0.568 221 D N 0.787 121.174 120.400 -0.022 0.000 2.648 221 D HA 0.097 4.737 4.640 -0.000 0.000 0.229 221 D C 0.749 177.046 176.300 -0.006 0.000 1.119 221 D CA 0.652 54.642 54.000 -0.017 0.000 0.850 221 D CB 0.588 41.374 40.800 -0.024 0.000 1.169 221 D HN 0.553 nan 8.370 nan 0.000 0.489 222 K N 0.589 120.987 120.400 -0.003 0.000 2.262 222 K HA 0.442 4.762 4.320 -0.000 0.000 0.282 222 K C -0.048 176.556 176.600 0.008 0.000 1.066 222 K CA -0.936 55.355 56.287 0.006 0.000 0.901 222 K CB 1.095 33.592 32.500 -0.006 0.000 1.089 222 K HN 0.206 nan 8.250 nan 0.000 0.476 223 V N 0.050 119.984 119.914 0.033 0.000 3.211 223 V HA 0.565 4.685 4.120 -0.000 0.000 0.319 223 V C -0.575 175.548 176.094 0.048 0.000 1.096 223 V CA -0.893 61.428 62.300 0.036 0.000 1.029 223 V CB 1.403 33.251 31.823 0.041 0.000 1.137 223 V HN 0.931 nan 8.190 nan 0.000 0.453 224 K N 0.999 121.422 120.400 0.039 0.000 2.601 224 K HA 0.607 4.927 4.320 -0.000 0.000 0.249 224 K C -1.626 174.995 176.600 0.034 0.000 0.966 224 K CA -0.649 55.655 56.287 0.028 0.000 0.827 224 K CB 2.130 34.624 32.500 -0.009 0.000 1.178 224 K HN 0.739 nan 8.250 nan 0.000 0.437 225 V N 6.007 125.966 119.914 0.074 0.000 2.455 225 V HA 0.100 4.220 4.120 -0.000 0.000 0.273 225 V C 1.455 177.536 176.094 -0.023 0.000 1.045 225 V CA -0.133 62.187 62.300 0.034 0.000 0.976 225 V CB 1.040 32.920 31.823 0.095 0.000 0.993 225 V HN 0.926 nan 8.190 nan 0.000 0.475 226 M N 2.055 121.604 119.600 -0.085 0.000 2.419 226 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 226 M C 2.040 178.264 176.300 -0.126 0.000 1.082 226 M CA 0.961 56.200 55.300 -0.103 0.000 1.119 226 M CB -0.070 32.460 32.600 -0.116 0.000 1.398 226 M HN 0.795 nan 8.290 nan 0.000 0.453 227 S N -0.067 115.520 115.700 -0.188 0.000 2.329 227 S HA -0.132 4.338 4.470 -0.000 0.000 0.215 227 S C 2.006 176.600 174.600 -0.010 0.000 1.031 227 S CA 1.950 60.074 58.200 -0.126 0.000 0.985 227 S CB -0.485 62.622 63.200 -0.155 0.000 0.917 227 S HN 0.499 nan 8.310 nan 0.000 0.441 228 T N 0.198 114.759 114.554 0.012 0.000 2.788 228 T HA 0.036 4.386 4.350 -0.000 0.000 0.268 228 T C 1.432 176.139 174.700 0.010 0.000 1.044 228 T CA 1.997 64.120 62.100 0.038 0.000 1.139 228 T CB -0.868 68.049 68.868 0.083 0.000 0.867 228 T HN 0.729 nan 8.240 nan 0.000 0.454 229 G N 0.660 109.457 108.800 -0.005 0.000 2.159 229 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.256 229 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.256 229 G C -0.070 174.801 174.900 -0.048 0.000 0.977 229 G CA 0.327 45.413 45.100 -0.023 0.000 0.652 229 G HN 0.652 nan 8.290 nan 0.000 0.531 230 Q N 0.647 120.413 119.800 -0.057 0.000 2.227 230 Q HA 0.560 4.900 4.340 -0.000 0.000 0.245 230 Q C 0.490 176.327 176.000 -0.271 0.000 0.926 230 Q CA 0.254 55.946 55.803 -0.185 0.000 0.895 230 Q CB 1.336 29.926 28.738 -0.246 0.000 1.230 230 Q HN 0.492 nan 8.270 nan 0.000 0.450 231 T N -1.021 113.299 114.554 -0.390 0.000 2.902 231 T HA 0.658 5.008 4.350 -0.000 0.000 0.283 231 T C -0.848 173.528 174.700 -0.540 0.000 1.009 231 T CA -0.467 61.450 62.100 -0.305 0.000 1.051 231 T CB 0.607 69.379 68.868 -0.161 0.000 0.999 231 T HN 0.414 nan 8.240 nan 0.000 0.474 232 Y N -0.251 120.036 120.300 -0.021 0.000 2.588 232 Y HA 0.452 5.002 4.550 -0.000 0.000 0.343 232 Y C 0.120 176.006 175.900 -0.023 0.000 1.065 232 Y CA -1.411 56.677 58.100 -0.020 0.000 1.038 232 Y CB 1.987 40.435 38.460 -0.021 0.000 1.297 232 Y HN 0.575 nan 8.280 nan 0.000 0.467 233 N N 1.296 120.083 118.700 0.144 0.000 2.422 233 N HA 0.388 5.128 4.740 -0.000 0.000 0.266 233 N C -0.651 174.889 175.510 0.049 0.000 1.007 233 N CA -0.297 52.793 53.050 0.066 0.000 0.941 233 N CB 1.818 40.328 38.487 0.038 0.000 1.115 233 N HN 0.788 nan 8.380 nan 0.000 0.492 234 A N 2.705 125.537 122.820 0.020 0.000 2.897 234 A HA 0.025 4.345 4.320 -0.000 0.000 0.287 234 A C 0.928 178.502 177.584 -0.016 0.000 1.748 234 A CA -0.197 51.834 52.037 -0.010 0.000 1.397 234 A CB -0.249 18.730 19.000 -0.034 0.000 1.049 234 A HN 0.560 nan 8.150 nan 0.000 0.592 235 D N 1.334 121.733 120.400 -0.002 0.000 2.078 235 D HA -0.065 4.575 4.640 -0.000 0.000 0.193 235 D C 0.727 177.030 176.300 0.005 0.000 0.990 235 D CA 1.354 55.356 54.000 0.004 0.000 0.827 235 D CB 0.169 40.975 40.800 0.010 0.000 0.975 235 D HN 0.610 nan 8.370 nan 0.000 0.451 236 R N -0.262 120.254 120.500 0.027 0.000 2.686 236 R HA 0.610 4.950 4.340 -0.000 0.000 0.283 236 R C -0.971 175.272 176.300 -0.094 0.000 0.978 236 R CA -0.739 55.392 56.100 0.052 0.000 0.897 236 R CB 2.226 32.682 30.300 0.259 0.000 1.192 236 R HN -0.035 nan 8.270 nan 0.000 0.457 237 L N -1.625 119.327 121.223 -0.452 0.000 2.568 237 L HA 0.989 5.329 4.340 -0.000 0.000 0.257 237 L C -0.180 175.819 176.870 -1.451 0.000 1.024 237 L CA -0.663 53.583 54.840 -0.990 0.000 0.854 237 L CB 1.821 43.565 42.059 -0.524 0.000 1.460 237 L HN 0.760 nan 8.230 nan 0.000 0.409 238 G N -0.271 107.394 108.800 -1.891 0.000 2.336 238 G HA2 0.570 4.530 3.960 -0.000 0.000 0.286 238 G HA3 0.570 4.530 3.960 -0.000 0.000 0.286 238 G C -1.816 172.366 174.900 -1.198 0.000 1.269 238 G CA -0.120 44.197 45.100 -1.305 0.000 0.873 238 G HN 1.315 nan 8.290 nan 0.000 0.494 239 I N -2.779 117.502 120.570 -0.481 0.000 3.108 239 I HA 0.876 5.046 4.170 -0.000 0.000 0.312 239 I C -1.190 174.859 176.117 -0.112 0.000 1.095 239 I CA -1.497 59.660 61.300 -0.238 0.000 1.000 239 I CB 2.265 40.197 38.000 -0.113 0.000 1.229 239 I HN 0.337 nan 8.210 nan 0.000 0.454 240 F N 0.518 120.593 119.950 0.210 0.000 2.422 240 F HA 0.543 5.070 4.527 -0.000 0.000 0.333 240 F C 0.872 176.695 175.800 0.038 0.000 1.095 240 F CA -0.423 57.648 58.000 0.119 0.000 1.038 240 F CB 2.139 41.165 39.000 0.044 0.000 1.156 240 F HN 0.492 nan 8.300 nan 0.000 0.483 241 T N 0.973 115.664 114.554 0.227 0.000 3.087 241 T HA 0.110 4.460 4.350 -0.000 0.000 0.283 241 T C -1.444 173.316 174.700 0.101 0.000 0.956 241 T CA -0.114 62.064 62.100 0.130 0.000 0.894 241 T CB 0.030 68.962 68.868 0.106 0.000 1.160 241 T HN 0.405 nan 8.240 nan 0.000 0.532 242 P HA 0.150 nan 4.420 nan 0.000 0.236 242 P C 0.335 177.742 177.300 0.178 0.000 1.177 242 P CA 0.251 63.410 63.100 0.098 0.000 0.773 242 P CB 0.237 31.939 31.700 0.005 0.000 0.878 243 K N 1.061 121.545 120.400 0.141 0.000 2.414 243 K HA 0.022 4.342 4.320 -0.000 0.000 0.272 243 K C 0.566 177.306 176.600 0.233 0.000 0.993 243 K CA 0.060 56.436 56.287 0.148 0.000 0.964 243 K CB 0.326 32.877 32.500 0.084 0.000 0.925 243 K HN 0.106 nan 8.250 nan 0.000 0.487 244 Q N 2.519 122.445 119.800 0.211 0.000 2.307 244 Q HA 0.158 4.498 4.340 -0.000 0.000 0.261 244 Q C -1.292 174.799 176.000 0.152 0.000 1.051 244 Q CA -0.313 55.573 55.803 0.138 0.000 0.911 244 Q CB 0.599 29.314 28.738 -0.038 0.000 1.227 244 Q HN 0.222 nan 8.270 nan 0.000 0.418 245 V N 4.403 124.459 119.914 0.237 0.000 2.531 245 V HA 0.210 4.330 4.120 -0.000 0.000 0.301 245 V C -0.769 175.459 176.094 0.224 0.000 1.034 245 V CA -0.985 61.427 62.300 0.187 0.000 0.865 245 V CB 1.982 33.864 31.823 0.098 0.000 0.995 245 V HN 0.813 nan 8.190 nan 0.000 0.424 246 D N 3.902 124.422 120.400 0.200 0.000 2.389 246 D HA 0.396 5.036 4.640 -0.000 0.000 0.247 246 D C 0.166 176.418 176.300 -0.081 0.000 1.128 246 D CA 0.083 54.127 54.000 0.074 0.000 0.884 246 D CB 0.670 41.539 40.800 0.115 0.000 1.194 246 D HN 0.253 nan 8.370 nan 0.000 0.441 247 R N 0.704 121.069 120.500 -0.225 0.000 2.832 247 R HA 0.319 4.659 4.340 -0.000 0.000 0.271 247 R C 0.907 177.104 176.300 -0.171 0.000 0.996 247 R CA -0.556 55.431 56.100 -0.188 0.000 0.977 247 R CB 1.380 31.538 30.300 -0.237 0.000 1.168 247 R HN 0.447 nan 8.270 nan 0.000 0.482 248 T N -0.323 114.159 114.554 -0.119 0.000 3.014 248 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 248 T C 0.162 174.796 174.700 -0.111 0.000 1.078 248 T CA 1.111 63.152 62.100 -0.098 0.000 1.135 248 T CB 0.324 69.153 68.868 -0.065 0.000 0.895 248 T HN 0.653 nan 8.240 nan 0.000 0.480 249 E N -0.263 119.862 120.200 -0.125 0.000 2.412 249 E HA 0.482 4.832 4.350 -0.000 0.000 0.279 249 E C -1.727 174.786 176.600 -0.145 0.000 0.984 249 E CA -1.044 55.283 56.400 -0.122 0.000 0.788 249 E CB 1.106 30.756 29.700 -0.084 0.000 1.277 249 E HN 0.142 nan 8.360 nan 0.000 0.455 250 L N 2.577 123.718 121.223 -0.137 0.000 2.353 250 L HA 0.399 4.739 4.340 -0.000 0.000 0.270 250 L C -0.055 176.765 176.870 -0.085 0.000 1.003 250 L CA -0.756 54.007 54.840 -0.130 0.000 0.862 250 L CB 1.146 43.109 42.059 -0.160 0.000 1.221 250 L HN 0.574 nan 8.230 nan 0.000 0.430 251 K N 1.071 121.431 120.400 -0.066 0.000 2.127 251 K HA 0.345 4.665 4.320 -0.000 0.000 0.240 251 K C -0.069 176.513 176.600 -0.031 0.000 1.024 251 K CA -0.753 55.507 56.287 -0.044 0.000 0.918 251 K CB 1.156 33.634 32.500 -0.037 0.000 1.108 251 K HN 0.335 nan 8.250 nan 0.000 0.485 252 C N 1.141 120.429 119.300 -0.020 0.000 2.523 252 C HA 0.267 4.727 4.460 -0.000 0.000 0.406 252 C C 1.472 176.463 174.990 0.001 0.000 1.449 252 C CA 2.030 61.042 59.018 -0.009 0.000 1.588 252 C CB -1.872 25.866 27.740 -0.004 0.000 2.514 252 C HN 1.038 nan 8.230 nan 0.000 0.606 253 G N 4.386 113.189 108.800 0.005 0.000 2.194 253 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.236 253 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.236 253 G C -0.055 174.856 174.900 0.018 0.000 0.987 253 G CA 0.311 45.423 45.100 0.019 0.000 0.635 253 G HN 0.773 nan 8.290 nan 0.000 0.520 254 E N -0.528 119.672 120.200 -0.001 0.000 2.280 254 E HA 0.587 4.937 4.350 -0.000 0.000 0.264 254 E C -0.336 176.254 176.600 -0.016 0.000 1.064 254 E CA -0.596 55.799 56.400 -0.009 0.000 0.900 254 E CB 2.107 31.788 29.700 -0.031 0.000 1.123 254 E HN 0.130 nan 8.360 nan 0.000 0.418 255 V N 1.285 121.189 119.914 -0.016 0.000 2.444 255 V HA 0.683 4.803 4.120 -0.000 0.000 0.294 255 V C 0.248 176.329 176.094 -0.022 0.000 1.022 255 V CA -0.439 61.856 62.300 -0.008 0.000 0.850 255 V CB 1.315 33.139 31.823 0.002 0.000 0.992 255 V HN 0.805 nan 8.190 nan 0.000 0.426 256 G N 3.471 112.248 108.800 -0.037 0.000 2.721 256 G HA2 0.661 4.621 3.960 -0.000 0.000 0.296 256 G HA3 0.661 4.621 3.960 -0.000 0.000 0.296 256 G C -1.511 173.368 174.900 -0.035 0.000 1.383 256 G CA -0.754 44.270 45.100 -0.126 0.000 0.788 256 G HN 0.724 nan 8.290 nan 0.000 0.500 257 W N -0.425 120.783 121.300 -0.154 0.000 2.578 257 W HA 0.797 5.457 4.660 -0.000 0.000 0.346 257 W C -1.849 174.588 176.519 -0.136 0.000 1.075 257 W CA -1.347 55.934 57.345 -0.108 0.000 1.233 257 W CB 1.456 30.841 29.460 -0.125 0.000 1.358 257 W HN 0.483 nan 8.180 nan 0.000 0.574 258 L N 3.058 124.367 121.223 0.142 0.000 2.385 258 L HA 0.606 4.946 4.340 -0.000 0.000 0.273 258 L C -1.330 175.593 176.870 0.088 0.000 0.990 258 L CA -0.883 53.975 54.840 0.030 0.000 0.821 258 L CB 1.990 44.013 42.059 -0.061 0.000 1.279 258 L HN 0.303 nan 8.230 nan 0.000 0.412 259 V N 4.690 124.676 119.914 0.119 0.000 2.325 259 V HA 0.463 4.583 4.120 -0.000 0.000 0.280 259 V C -0.520 175.565 176.094 -0.015 0.000 1.016 259 V CA -0.434 61.894 62.300 0.047 0.000 0.818 259 V CB 0.901 32.800 31.823 0.126 0.000 1.019 259 V HN 0.966 nan 8.190 nan 0.000 0.434 260 C N 2.182 121.432 119.300 -0.083 0.000 2.634 260 C HA 0.864 5.324 4.460 -0.000 0.000 0.313 260 C C 0.984 175.893 174.990 -0.135 0.000 1.198 260 C CA -1.003 57.971 59.018 -0.074 0.000 1.605 260 C CB 1.316 29.025 27.740 -0.051 0.000 2.196 260 C HN 0.906 nan 8.230 nan 0.000 0.486 261 A N 1.906 124.702 122.820 -0.040 0.000 2.863 261 A HA 0.347 4.667 4.320 -0.000 0.000 0.246 261 A C 0.394 177.951 177.584 -0.045 0.000 1.772 261 A CA 0.044 52.069 52.037 -0.020 0.000 1.456 261 A CB -1.157 17.869 19.000 0.043 0.000 0.930 261 A HN 0.780 nan 8.150 nan 0.000 0.630 262 I N 0.825 121.216 120.570 -0.298 0.000 2.648 262 I HA -0.027 4.143 4.170 -0.000 0.000 0.284 262 I C 1.307 177.384 176.117 -0.066 0.000 1.153 262 I CA -0.333 60.736 61.300 -0.384 0.000 1.426 262 I CB 0.797 38.456 38.000 -0.568 0.000 1.381 262 I HN 0.462 nan 8.210 nan 0.000 0.571 263 K N 4.280 124.699 120.400 0.033 0.000 2.001 263 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 263 K C 0.019 176.648 176.600 0.050 0.000 1.048 263 K CA 1.270 57.596 56.287 0.065 0.000 0.932 263 K CB -0.334 32.212 32.500 0.076 0.000 0.715 263 K HN 0.821 nan 8.250 nan 0.000 0.437 264 D N -1.663 118.762 120.400 0.043 0.000 2.596 264 D HA 0.153 4.793 4.640 -0.000 0.000 0.262 264 D C 1.012 177.336 176.300 0.039 0.000 1.210 264 D CA -0.733 53.287 54.000 0.033 0.000 0.873 264 D CB 0.521 41.347 40.800 0.043 0.000 1.408 264 D HN -0.006 nan 8.370 nan 0.000 0.441 265 I N -2.193 118.378 120.570 0.003 0.000 2.315 265 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 265 I C 1.544 177.630 176.117 -0.052 0.000 1.125 265 I CA 1.061 62.333 61.300 -0.048 0.000 1.392 265 I CB -0.759 37.197 38.000 -0.073 0.000 1.065 265 I HN 0.355 nan 8.210 nan 0.000 0.424 266 H N 1.476 120.566 119.070 0.033 0.000 2.492 266 H HA -0.086 4.470 4.556 -0.000 0.000 0.296 266 H C 2.383 177.743 175.328 0.054 0.000 1.095 266 H CA 1.540 57.617 56.048 0.049 0.000 1.281 266 H CB -0.348 29.436 29.762 0.036 0.000 1.374 266 H HN 0.606 nan 8.280 nan 0.000 0.545 267 G N -0.082 108.799 108.800 0.135 0.000 2.464 267 G HA2 0.100 4.060 3.960 -0.000 0.000 0.217 267 G HA3 0.100 4.060 3.960 -0.000 0.000 0.217 267 G C 0.791 175.716 174.900 0.041 0.000 1.138 267 G CA 0.523 45.680 45.100 0.095 0.000 0.793 267 G HN 0.409 nan 8.290 nan 0.000 0.539 268 A N 1.036 123.858 122.820 0.004 0.000 3.064 268 A HA 0.687 5.006 4.320 -0.000 0.000 0.339 268 A C -2.771 174.834 177.584 0.035 0.000 1.078 268 A CA -1.241 50.787 52.037 -0.015 0.000 0.869 268 A CB 0.995 19.943 19.000 -0.086 0.000 1.067 268 A HN 0.096 nan 8.150 nan 0.000 0.480 269 P HA 0.122 nan 4.420 nan 0.000 0.276 269 P C 0.459 177.890 177.300 0.218 0.000 1.230 269 P CA -0.040 63.171 63.100 0.185 0.000 0.776 269 P CB 1.186 33.079 31.700 0.321 0.000 0.888 270 V N 3.820 123.862 119.914 0.213 0.000 2.539 270 V HA 0.234 4.354 4.120 -0.000 0.000 0.300 270 V C 1.328 177.607 176.094 0.308 0.000 1.019 270 V CA 2.072 64.488 62.300 0.193 0.000 1.160 270 V CB -0.908 31.000 31.823 0.142 0.000 0.901 270 V HN 1.001 nan 8.190 nan 0.000 0.481 271 G N 3.903 112.825 108.800 0.203 0.000 2.238 271 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 271 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 271 G C 0.209 175.289 174.900 0.301 0.000 0.996 271 G CA 0.201 45.470 45.100 0.282 0.000 0.632 271 G HN 0.917 nan 8.290 nan 0.000 0.503 272 D N 1.274 121.771 120.400 0.162 0.000 2.363 272 D HA 0.515 5.155 4.640 -0.000 0.000 0.240 272 D C 0.821 177.060 176.300 -0.101 0.000 1.236 272 D CA 1.275 55.156 54.000 -0.200 0.000 0.927 272 D CB 1.098 41.755 40.800 -0.239 0.000 1.150 272 D HN 0.494 nan 8.370 nan 0.000 0.458 273 T N -0.151 114.313 114.554 -0.151 0.000 2.841 273 T HA 0.585 4.934 4.350 -0.000 0.000 0.283 273 T C -0.440 174.220 174.700 -0.066 0.000 1.000 273 T CA -0.870 61.185 62.100 -0.074 0.000 0.977 273 T CB 0.585 69.422 68.868 -0.052 0.000 0.979 273 T HN 0.223 nan 8.240 nan 0.000 0.446 274 L N 3.159 124.358 121.223 -0.039 0.000 2.295 274 L HA 0.656 4.996 4.340 -0.000 0.000 0.285 274 L C 0.574 177.431 176.870 -0.021 0.000 1.035 274 L CA -0.597 54.228 54.840 -0.026 0.000 0.806 274 L CB 1.920 43.967 42.059 -0.021 0.000 1.214 274 L HN 0.834 nan 8.230 nan 0.000 0.426 275 T N 3.231 117.775 114.554 -0.016 0.000 2.916 275 T HA 0.583 4.933 4.350 -0.000 0.000 0.292 275 T C -0.420 174.274 174.700 -0.010 0.000 1.064 275 T CA -0.584 61.507 62.100 -0.015 0.000 1.011 275 T CB 1.058 69.915 68.868 -0.017 0.000 1.152 275 T HN 0.298 nan 8.240 nan 0.000 0.510 276 L N 3.008 124.224 121.223 -0.012 0.000 2.426 276 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 276 L C 1.795 178.657 176.870 -0.013 0.000 1.169 276 L CA -0.431 54.401 54.840 -0.012 0.000 0.836 276 L CB 0.703 42.753 42.059 -0.014 0.000 1.112 276 L HN 0.940 nan 8.230 nan 0.000 0.465 277 A N 4.375 127.187 122.820 -0.014 0.000 1.855 277 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 277 A C 2.223 179.795 177.584 -0.019 0.000 1.191 277 A CA 1.560 53.586 52.037 -0.020 0.000 0.613 277 A CB -0.454 18.530 19.000 -0.025 0.000 0.829 277 A HN 0.933 nan 8.150 nan 0.000 0.442 278 R N -0.731 119.758 120.500 -0.017 0.000 2.152 278 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 278 R C 0.149 176.441 176.300 -0.014 0.000 1.117 278 R CA 1.699 57.790 56.100 -0.016 0.000 0.981 278 R CB -0.417 29.874 30.300 -0.015 0.000 0.870 278 R HN 0.436 nan 8.270 nan 0.000 0.451 279 N N 1.244 119.936 118.700 -0.013 0.000 2.727 279 N HA 0.283 5.023 4.740 -0.000 0.000 0.252 279 N C -2.841 172.662 175.510 -0.012 0.000 1.283 279 N CA -2.343 50.700 53.050 -0.012 0.000 0.782 279 N CB 1.575 40.055 38.487 -0.011 0.000 1.199 279 N HN 0.012 nan 8.380 nan 0.000 0.520 280 P HA 0.270 nan 4.420 nan 0.000 0.284 280 P C -0.512 176.782 177.300 -0.010 0.000 1.253 280 P CA -0.452 62.641 63.100 -0.012 0.000 0.800 280 P CB 1.114 32.805 31.700 -0.014 0.000 0.961 281 A N 2.310 125.124 122.820 -0.010 0.000 2.445 281 A HA 0.029 4.349 4.320 -0.000 0.000 0.242 281 A C 1.442 179.023 177.584 -0.005 0.000 1.075 281 A CA -0.113 51.920 52.037 -0.007 0.000 0.777 281 A CB -0.316 18.680 19.000 -0.007 0.000 1.013 281 A HN 0.701 nan 8.150 nan 0.000 0.493 282 E N 0.570 120.769 120.200 -0.001 0.000 2.158 282 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 282 E C 0.398 177.001 176.600 0.004 0.000 0.982 282 E CA 0.873 57.274 56.400 0.002 0.000 0.823 282 E CB 0.105 29.807 29.700 0.004 0.000 0.766 282 E HN 0.570 nan 8.360 nan 0.000 0.468 283 K N -0.273 120.131 120.400 0.006 0.000 2.378 283 K HA 0.474 4.793 4.320 -0.000 0.000 0.252 283 K C -1.230 175.375 176.600 0.009 0.000 0.931 283 K CA -0.554 55.741 56.287 0.012 0.000 0.794 283 K CB 1.861 34.373 32.500 0.019 0.000 1.181 283 K HN 0.019 nan 8.250 nan 0.000 0.425 284 A N 3.501 126.326 122.820 0.009 0.000 2.313 284 A HA 0.361 4.681 4.320 -0.000 0.000 0.261 284 A C -0.254 177.348 177.584 0.029 0.000 1.090 284 A CA -0.491 51.547 52.037 0.002 0.000 0.807 284 A CB 0.095 19.082 19.000 -0.022 0.000 1.055 284 A HN 0.747 nan 8.150 nan 0.000 0.492 285 L N 1.395 122.636 121.223 0.030 0.000 2.456 285 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 285 L C -1.789 175.137 176.870 0.093 0.000 1.189 285 L CA -1.367 53.505 54.840 0.053 0.000 0.846 285 L CB -0.126 41.961 42.059 0.046 0.000 1.111 285 L HN 0.497 nan 8.230 nan 0.000 0.475 286 P HA 0.156 nan 4.420 nan 0.000 0.270 286 P C 0.672 178.060 177.300 0.148 0.000 1.223 286 P CA 0.159 63.325 63.100 0.110 0.000 0.785 286 P CB 0.705 32.454 31.700 0.081 0.000 0.923 287 G N -0.073 108.825 108.800 0.165 0.000 2.176 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 287 G C -0.020 175.063 174.900 0.306 0.000 0.979 287 G CA -0.212 45.004 45.100 0.193 0.000 0.641 287 G HN 0.582 nan 8.290 nan 0.000 0.530 288 F N 2.660 122.711 119.950 0.167 0.000 2.495 288 F HA 0.563 5.090 4.527 -0.000 0.000 0.365 288 F C 0.606 176.467 175.800 0.102 0.000 1.090 288 F CA 0.380 58.500 58.000 0.200 0.000 1.235 288 F CB 0.527 39.603 39.000 0.127 0.000 1.119 288 F HN 0.381 nan 8.300 nan 0.000 0.562 289 K N 4.619 124.439 120.400 -0.967 0.000 2.568 289 K HA 0.369 4.689 4.320 -0.000 0.000 0.273 289 K C -1.769 174.185 176.600 -1.078 0.000 0.951 289 K CA -1.336 54.292 56.287 -1.097 0.000 0.854 289 K CB 1.467 33.584 32.500 -0.638 0.000 1.424 289 K HN 0.285 nan 8.250 nan 0.000 0.427 290 K N 2.228 122.191 120.400 -0.729 0.000 2.263 290 K HA 0.216 4.536 4.320 -0.000 0.000 0.282 290 K C -0.815 175.566 176.600 -0.365 0.000 1.089 290 K CA -0.566 55.480 56.287 -0.402 0.000 0.907 290 K CB 1.165 33.552 32.500 -0.189 0.000 1.148 290 K HN 0.547 nan 8.250 nan 0.000 0.470 291 V N 5.754 125.445 119.914 -0.372 0.000 2.415 291 V HA 0.079 4.199 4.120 -0.000 0.000 0.267 291 V C 0.852 176.839 176.094 -0.179 0.000 1.042 291 V CA -0.201 61.917 62.300 -0.302 0.000 1.000 291 V CB 0.031 31.689 31.823 -0.276 0.000 1.015 291 V HN 0.473 nan 8.190 nan 0.000 0.478 292 K N 6.369 126.659 120.400 -0.184 0.000 2.237 292 K HA 0.300 4.620 4.320 -0.000 0.000 0.270 292 K C -2.187 174.344 176.600 -0.116 0.000 1.015 292 K CA -1.451 54.751 56.287 -0.142 0.000 0.949 292 K CB 0.443 32.848 32.500 -0.158 0.000 0.976 292 K HN 0.425 nan 8.250 nan 0.000 0.472 293 P HA -0.145 nan 4.420 nan 0.000 0.263 293 P C -0.230 177.038 177.300 -0.053 0.000 1.175 293 P CA 0.540 63.554 63.100 -0.143 0.000 0.761 293 P CB 0.562 32.011 31.700 -0.419 0.000 0.794 294 Q N 1.975 121.770 119.800 -0.009 0.000 2.396 294 Q HA 0.133 4.473 4.340 -0.000 0.000 0.209 294 Q C -0.439 175.650 176.000 0.149 0.000 0.906 294 Q CA 0.521 56.363 55.803 0.065 0.000 0.927 294 Q CB 0.557 29.329 28.738 0.057 0.000 1.069 294 Q HN 0.253 nan 8.270 nan 0.000 0.523 295 V N 1.253 121.236 119.914 0.115 0.000 2.709 295 V HA 0.418 4.538 4.120 -0.000 0.000 0.308 295 V C -1.526 174.643 176.094 0.125 0.000 1.062 295 V CA -0.783 61.644 62.300 0.213 0.000 0.901 295 V CB 1.674 33.640 31.823 0.238 0.000 1.003 295 V HN 0.149 nan 8.190 nan 0.000 0.425 296 Y N 2.061 122.508 120.300 0.245 0.000 2.485 296 Y HA 0.858 5.407 4.550 -0.000 0.000 0.345 296 Y C 0.269 176.349 175.900 0.298 0.000 0.998 296 Y CA -0.604 57.650 58.100 0.257 0.000 1.059 296 Y CB 2.422 40.992 38.460 0.184 0.000 1.234 296 Y HN 0.793 nan 8.280 nan 0.000 0.461 297 A N 0.947 124.050 122.820 0.472 0.000 2.574 297 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 297 A C -0.856 176.954 177.584 0.377 0.000 1.062 297 A CA -0.440 51.839 52.037 0.404 0.000 0.686 297 A CB 1.010 20.243 19.000 0.388 0.000 1.285 297 A HN 0.913 nan 8.150 nan 0.000 0.403 298 G N 0.567 109.578 108.800 0.351 0.000 2.325 298 G HA2 0.559 4.519 3.960 -0.000 0.000 0.298 298 G HA3 0.559 4.519 3.960 -0.000 0.000 0.298 298 G C -0.728 174.350 174.900 0.297 0.000 1.134 298 G CA -0.314 44.988 45.100 0.337 0.000 0.876 298 G HN 0.640 nan 8.290 nan 0.000 0.452 299 L N 2.114 123.382 121.223 0.075 0.000 2.305 299 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 299 L C -0.996 175.813 176.870 -0.103 0.000 1.013 299 L CA -0.615 54.317 54.840 0.153 0.000 0.819 299 L CB 1.474 43.769 42.059 0.393 0.000 1.227 299 L HN 0.384 nan 8.230 nan 0.000 0.417 300 F N 3.230 123.288 119.950 0.180 0.000 2.569 300 F HA 0.512 5.039 4.527 -0.000 0.000 0.312 300 F C -2.314 173.483 175.800 -0.005 0.000 1.109 300 F CA -2.441 55.654 58.000 0.159 0.000 0.919 300 F CB 1.773 40.849 39.000 0.127 0.000 1.211 300 F HN 0.239 nan 8.300 nan 0.000 0.446 301 P HA 0.148 nan 4.420 nan 0.000 0.275 301 P C 0.729 178.093 177.300 0.107 0.000 1.227 301 P CA -0.187 62.933 63.100 0.034 0.000 0.781 301 P CB 1.124 32.880 31.700 0.093 0.000 0.906 302 V N 1.019 120.965 119.914 0.053 0.000 2.295 302 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 302 V C 1.300 177.435 176.094 0.069 0.000 1.049 302 V CA 2.078 64.412 62.300 0.057 0.000 1.024 302 V CB -0.582 31.260 31.823 0.032 0.000 0.648 302 V HN 0.651 nan 8.190 nan 0.000 0.447 303 S N -0.419 115.323 115.700 0.070 0.000 2.451 303 S HA 0.247 4.717 4.470 -0.000 0.000 0.301 303 S C 1.267 175.939 174.600 0.121 0.000 1.116 303 S CA -0.028 58.220 58.200 0.081 0.000 1.093 303 S CB 1.633 64.871 63.200 0.063 0.000 1.017 303 S HN 0.521 nan 8.310 nan 0.000 0.482 304 S N 3.172 118.951 115.700 0.132 0.000 2.447 304 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 304 S C 0.889 175.593 174.600 0.173 0.000 1.006 304 S CA 0.890 59.194 58.200 0.174 0.000 0.957 304 S CB -0.420 62.868 63.200 0.148 0.000 0.773 304 S HN 0.772 nan 8.310 nan 0.000 0.507 305 D N 1.943 122.420 120.400 0.128 0.000 2.310 305 D HA -0.011 4.629 4.640 -0.000 0.000 0.212 305 D C 0.895 177.279 176.300 0.141 0.000 0.965 305 D CA 0.744 54.814 54.000 0.116 0.000 0.879 305 D CB -0.350 40.499 40.800 0.081 0.000 0.921 305 D HN 0.405 nan 8.370 nan 0.000 0.510 306 D N -0.938 119.557 120.400 0.158 0.000 2.340 306 D HA -0.073 4.567 4.640 -0.000 0.000 0.220 306 D C 1.508 177.952 176.300 0.242 0.000 1.039 306 D CA -0.035 54.058 54.000 0.156 0.000 0.866 306 D CB -0.022 40.837 40.800 0.099 0.000 0.913 306 D HN 0.292 nan 8.370 nan 0.000 0.523 307 Y N 2.278 122.685 120.300 0.178 0.000 2.145 307 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 307 Y C 2.016 178.043 175.900 0.212 0.000 1.145 307 Y CA 1.613 59.863 58.100 0.250 0.000 1.148 307 Y CB 0.276 38.840 38.460 0.174 0.000 0.981 307 Y HN -0.111 nan 8.280 nan 0.000 0.507 308 E N 0.440 120.768 120.200 0.213 0.000 2.038 308 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 308 E C 2.455 179.052 176.600 -0.006 0.000 1.000 308 E CA 1.321 57.773 56.400 0.087 0.000 0.803 308 E CB -1.028 28.736 29.700 0.107 0.000 0.750 308 E HN 0.573 nan 8.360 nan 0.000 0.448 309 A N 1.325 124.172 122.820 0.047 0.000 1.902 309 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 309 A C 2.065 179.644 177.584 -0.008 0.000 1.181 309 A CA 1.318 53.372 52.037 0.029 0.000 0.623 309 A CB -0.747 18.300 19.000 0.078 0.000 0.818 309 A HN 0.233 nan 8.150 nan 0.000 0.443 310 F N 0.685 120.536 119.950 -0.166 0.000 2.075 310 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 310 F C 2.313 177.844 175.800 -0.449 0.000 1.113 310 F CA 1.780 59.634 58.000 -0.243 0.000 1.218 310 F CB -0.661 38.275 39.000 -0.108 0.000 0.984 310 F HN 0.232 nan 8.300 nan 0.000 0.472 311 R N 0.163 120.322 120.500 -0.569 0.000 2.091 311 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 311 R C 1.938 177.862 176.300 -0.627 0.000 1.136 311 R CA 1.948 57.561 56.100 -0.812 0.000 0.959 311 R CB -0.477 29.538 30.300 -0.474 0.000 0.856 311 R HN 0.237 nan 8.270 nan 0.000 0.437 312 D N 0.050 120.218 120.400 -0.386 0.000 2.144 312 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 312 D C 1.689 177.737 176.300 -0.420 0.000 0.978 312 D CA 1.367 55.185 54.000 -0.303 0.000 0.833 312 D CB -0.177 40.525 40.800 -0.162 0.000 0.961 312 D HN 0.367 nan 8.370 nan 0.000 0.470 313 A N 0.766 123.254 122.820 -0.554 0.000 1.902 313 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 313 A C 2.398 179.539 177.584 -0.738 0.000 1.181 313 A CA 0.877 52.371 52.037 -0.904 0.000 0.623 313 A CB -0.757 17.703 19.000 -0.900 0.000 0.818 313 A HN 0.200 nan 8.150 nan 0.000 0.443 314 L N -0.769 119.966 121.223 -0.814 0.000 2.046 314 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 314 L C 2.855 179.317 176.870 -0.681 0.000 1.077 314 L CA 1.084 55.335 54.840 -0.983 0.000 0.747 314 L CB -0.888 40.034 42.059 -1.895 0.000 0.896 314 L HN 0.505 nan 8.230 nan 0.000 0.432 315 G N 0.086 108.561 108.800 -0.542 0.000 2.446 315 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 315 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 315 G C 1.684 176.485 174.900 -0.165 0.000 1.168 315 G CA 0.757 45.720 45.100 -0.228 0.000 0.771 315 G HN 0.279 nan 8.290 nan 0.000 0.551 316 K N -0.539 119.741 120.400 -0.200 0.000 2.002 316 K HA -0.009 4.311 4.320 -0.000 0.000 0.209 316 K C 2.409 178.982 176.600 -0.044 0.000 1.048 316 K CA 0.910 57.141 56.287 -0.094 0.000 0.930 316 K CB -0.357 32.115 32.500 -0.047 0.000 0.714 316 K HN 0.127 nan 8.250 nan 0.000 0.438 317 L N 0.970 122.142 121.223 -0.084 0.000 2.079 317 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 317 L C 2.352 179.234 176.870 0.020 0.000 1.081 317 L CA 1.548 56.382 54.840 -0.010 0.000 0.752 317 L CB -1.025 41.006 42.059 -0.046 0.000 0.896 317 L HN 0.127 nan 8.230 nan 0.000 0.433 318 S N -0.969 114.736 115.700 0.008 0.000 2.400 318 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 318 S C 2.016 176.632 174.600 0.026 0.000 1.025 318 S CA 0.892 59.142 58.200 0.082 0.000 0.993 318 S CB -0.214 63.087 63.200 0.168 0.000 0.808 318 S HN 0.373 nan 8.310 nan 0.000 0.478 319 L N 0.572 121.774 121.223 -0.035 0.000 2.187 319 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 319 L C 1.575 178.445 176.870 -0.002 0.000 1.100 319 L CA 1.195 55.967 54.840 -0.114 0.000 0.765 319 L CB -0.326 41.611 42.059 -0.205 0.000 0.904 319 L HN 0.299 nan 8.230 nan 0.000 0.437 320 N N -2.074 116.661 118.700 0.058 0.000 2.171 320 N HA 0.013 4.753 4.740 -0.000 0.000 0.212 320 N C -0.440 175.116 175.510 0.077 0.000 1.184 320 N CA 0.020 53.133 53.050 0.106 0.000 0.888 320 N CB 0.660 39.230 38.487 0.137 0.000 1.038 320 N HN -0.005 nan 8.380 nan 0.000 0.517 321 D N -0.015 120.423 120.400 0.063 0.000 2.454 321 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 321 D C 0.469 176.785 176.300 0.027 0.000 1.129 321 D CA -0.379 53.676 54.000 0.092 0.000 0.877 321 D CB 1.220 42.129 40.800 0.183 0.000 1.082 321 D HN 0.115 nan 8.370 nan 0.000 0.537 322 A N 2.369 125.148 122.820 -0.068 0.000 1.969 322 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 322 A C 1.829 179.434 177.584 0.035 0.000 1.169 322 A CA 1.622 53.507 52.037 -0.254 0.000 0.635 322 A CB -0.090 18.767 19.000 -0.238 0.000 0.810 322 A HN 0.515 nan 8.150 nan 0.000 0.445 323 S N -1.051 114.705 115.700 0.094 0.000 2.524 323 S HA 0.271 4.741 4.470 -0.000 0.000 0.216 323 S C 0.614 175.330 174.600 0.193 0.000 0.987 323 S CA -0.369 57.903 58.200 0.119 0.000 0.909 323 S CB -0.444 62.781 63.200 0.042 0.000 0.781 323 S HN 0.420 nan 8.310 nan 0.000 0.521 324 L N 2.462 123.842 121.223 0.262 0.000 2.462 324 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 324 L C -0.781 176.188 176.870 0.166 0.000 1.166 324 L CA -0.136 54.848 54.840 0.240 0.000 0.880 324 L CB 0.513 42.707 42.059 0.225 0.000 1.142 324 L HN 0.421 nan 8.230 nan 0.000 0.473 325 F N 7.122 126.999 119.950 -0.121 0.000 2.482 325 F HA 0.562 5.089 4.527 -0.000 0.000 0.331 325 F C -0.986 174.728 175.800 -0.142 0.000 1.115 325 F CA -0.639 57.269 58.000 -0.154 0.000 0.955 325 F CB 1.196 40.108 39.000 -0.147 0.000 1.136 325 F HN 0.407 nan 8.300 nan 0.000 0.452 326 Y N 2.951 122.671 120.300 -0.967 0.000 2.588 326 Y HA 0.707 5.257 4.550 -0.000 0.000 0.343 326 Y C -1.655 173.746 175.900 -0.833 0.000 1.065 326 Y CA -1.196 56.427 58.100 -0.795 0.000 1.038 326 Y CB 1.536 39.665 38.460 -0.552 0.000 1.297 326 Y HN 0.758 nan 8.280 nan 0.000 0.467 327 E N 3.106 123.182 120.200 -0.207 0.000 2.381 327 E HA 0.349 4.699 4.350 -0.000 0.000 0.286 327 E C -3.316 173.419 176.600 0.226 0.000 0.960 327 E CA -2.312 54.042 56.400 -0.076 0.000 0.793 327 E CB 2.899 32.478 29.700 -0.201 0.000 1.225 327 E HN 0.433 nan 8.360 nan 0.000 0.420 328 P HA 0.008 nan 4.420 nan 0.000 0.265 328 P C -0.886 176.414 177.300 -0.000 0.000 1.187 328 P CA 0.512 63.607 63.100 -0.009 0.000 0.766 328 P CB 0.575 32.312 31.700 0.062 0.000 0.820 329 E N 1.452 121.607 120.200 -0.074 0.000 2.291 329 E HA 0.380 4.730 4.350 -0.000 0.000 0.276 329 E C -1.327 175.351 176.600 0.130 0.000 0.896 329 E CA -0.657 55.779 56.400 0.059 0.000 0.774 329 E CB 1.295 31.070 29.700 0.123 0.000 1.227 329 E HN 0.379 nan 8.360 nan 0.000 0.413 330 S N 2.212 117.954 115.700 0.071 0.000 2.449 330 S HA 0.675 5.145 4.470 -0.000 0.000 0.310 330 S C -0.466 174.081 174.600 -0.087 0.000 1.096 330 S CA -0.767 57.361 58.200 -0.120 0.000 1.095 330 S CB 1.669 64.555 63.200 -0.522 0.000 1.007 330 S HN 0.305 nan 8.310 nan 0.000 0.474 331 S N 2.127 117.742 115.700 -0.141 0.000 2.593 331 S HA 0.418 4.888 4.470 -0.000 0.000 0.297 331 S C 1.212 175.661 174.600 -0.250 0.000 1.112 331 S CA -0.900 57.170 58.200 -0.217 0.000 1.043 331 S CB 1.594 64.563 63.200 -0.385 0.000 1.054 331 S HN 0.798 nan 8.310 nan 0.000 0.516 332 S N 1.754 117.343 115.700 -0.185 0.000 2.368 332 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 332 S C 1.799 176.312 174.600 -0.145 0.000 1.030 332 S CA 1.006 59.114 58.200 -0.153 0.000 0.999 332 S CB -0.468 62.669 63.200 -0.105 0.000 0.844 332 S HN 0.816 nan 8.310 nan 0.000 0.459 333 A N 0.803 123.531 122.820 -0.154 0.000 1.973 333 A HA 0.430 4.750 4.320 -0.000 0.000 0.210 333 A C 2.007 179.497 177.584 -0.157 0.000 1.200 333 A CA 0.234 52.195 52.037 -0.127 0.000 0.707 333 A CB -0.368 18.567 19.000 -0.107 0.000 0.862 333 A HN 0.408 nan 8.150 nan 0.000 0.461 334 L N -0.985 120.070 121.223 -0.279 0.000 2.446 334 L HA 0.310 4.650 4.340 -0.000 0.000 0.219 334 L C 1.415 178.166 176.870 -0.198 0.000 1.116 334 L CA 0.521 55.146 54.840 -0.360 0.000 0.844 334 L CB -0.480 41.060 42.059 -0.866 0.000 0.970 334 L HN 0.616 nan 8.230 nan 0.000 0.457 335 G N -0.184 108.516 108.800 -0.168 0.000 2.587 335 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.212 335 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.212 335 G C -0.622 174.294 174.900 0.025 0.000 1.327 335 G CA -0.783 44.293 45.100 -0.041 0.000 0.898 335 G HN -0.064 nan 8.290 nan 0.000 0.551 336 F N 1.988 122.034 119.950 0.159 0.000 2.424 336 F HA 0.589 5.116 4.527 -0.000 0.000 0.356 336 F C 1.277 177.258 175.800 0.302 0.000 1.110 336 F CA 1.256 59.318 58.000 0.103 0.000 1.161 336 F CB 1.503 40.313 39.000 -0.318 0.000 1.115 336 F HN 0.901 nan 8.300 nan 0.000 0.507 337 G N 2.291 111.232 108.800 0.235 0.000 2.815 337 G HA2 0.669 4.629 3.960 -0.000 0.000 0.305 337 G HA3 0.669 4.629 3.960 -0.000 0.000 0.305 337 G C -2.018 172.456 174.900 -0.711 0.000 1.277 337 G CA -0.677 44.284 45.100 -0.232 0.000 0.795 337 G HN 0.252 nan 8.290 nan 0.000 0.528 338 F N -0.046 119.715 119.950 -0.314 0.000 2.540 338 F HA 0.628 5.155 4.527 -0.000 0.000 0.317 338 F C 0.455 176.157 175.800 -0.164 0.000 1.104 338 F CA -0.752 57.128 58.000 -0.201 0.000 0.913 338 F CB 2.483 41.313 39.000 -0.285 0.000 1.170 338 F HN 0.244 nan 8.300 nan 0.000 0.450 339 R N 2.304 122.885 120.500 0.136 0.000 2.254 339 R HA 0.662 5.002 4.340 -0.000 0.000 0.318 339 R C -1.642 174.792 176.300 0.223 0.000 1.031 339 R CA -0.143 56.083 56.100 0.210 0.000 0.905 339 R CB 0.534 30.994 30.300 0.266 0.000 1.050 339 R HN 0.798 nan 8.270 nan 0.000 0.456 340 C N 2.984 122.414 119.300 0.216 0.000 2.498 340 C HA 0.635 5.095 4.460 -0.000 0.000 0.316 340 C C 0.407 175.268 174.990 -0.215 0.000 1.209 340 C CA -0.769 58.225 59.018 -0.039 0.000 1.518 340 C CB 1.468 29.088 27.740 -0.199 0.000 2.147 340 C HN 0.948 nan 8.230 nan 0.000 0.483 341 G N 1.575 110.157 108.800 -0.363 0.000 2.379 341 G HA2 0.796 4.755 3.960 -0.000 0.000 0.327 341 G HA3 0.796 4.755 3.960 -0.000 0.000 0.327 341 G C -1.235 173.198 174.900 -0.777 0.000 1.145 341 G CA -0.111 44.471 45.100 -0.864 0.000 0.905 341 G HN 0.527 nan 8.290 nan 0.000 0.466 342 F N 0.103 119.971 119.950 -0.137 0.000 2.620 342 F HA 0.412 4.939 4.527 -0.000 0.000 0.320 342 F C 1.215 177.083 175.800 0.113 0.000 1.069 342 F CA -0.969 57.120 58.000 0.148 0.000 0.953 342 F CB 1.962 41.036 39.000 0.124 0.000 1.322 342 F HN 0.273 nan 8.300 nan 0.000 0.479 343 L N 0.830 122.295 121.223 0.404 0.000 2.083 343 L HA 0.146 4.485 4.340 -0.000 0.000 0.209 343 L C 1.144 178.050 176.870 0.059 0.000 1.083 343 L CA 1.443 56.312 54.840 0.049 0.000 0.752 343 L CB -0.506 41.419 42.059 -0.223 0.000 0.899 343 L HN 0.837 nan 8.230 nan 0.000 0.433 344 G N -2.737 106.148 108.800 0.142 0.000 2.570 344 G HA2 0.252 4.212 3.960 -0.000 0.000 0.310 344 G HA3 0.252 4.212 3.960 -0.000 0.000 0.310 344 G C -0.079 174.871 174.900 0.084 0.000 1.266 344 G CA -0.615 44.543 45.100 0.097 0.000 0.825 344 G HN -0.150 nan 8.290 nan 0.000 0.483 345 L N 0.429 121.692 121.223 0.066 0.000 1.988 345 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 345 L C 2.711 179.499 176.870 -0.136 0.000 1.071 345 L CA 1.215 56.044 54.840 -0.017 0.000 0.744 345 L CB -0.249 41.817 42.059 0.012 0.000 0.893 345 L HN 0.512 nan 8.230 nan 0.000 0.433 346 L N -2.905 118.196 121.223 -0.203 0.000 2.492 346 L HA -0.090 4.250 4.340 -0.000 0.000 0.223 346 L C 2.229 179.024 176.870 -0.125 0.000 1.132 346 L CA 1.309 56.013 54.840 -0.227 0.000 0.850 346 L CB -2.101 39.749 42.059 -0.348 0.000 0.966 346 L HN 0.308 nan 8.230 nan 0.000 0.454 347 H N 1.125 120.083 119.070 -0.185 0.000 2.326 347 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 347 H C 2.357 177.620 175.328 -0.108 0.000 1.081 347 H CA 2.385 58.413 56.048 -0.033 0.000 1.334 347 H CB -0.080 29.692 29.762 0.016 0.000 1.385 347 H HN 0.270 nan 8.280 nan 0.000 0.504 348 M N 0.072 119.398 119.600 -0.455 0.000 2.108 348 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 348 M C 1.857 177.790 176.300 -0.613 0.000 1.066 348 M CA 2.175 56.817 55.300 -1.096 0.000 1.107 348 M CB -0.005 31.992 32.600 -1.005 0.000 1.356 348 M HN 0.405 nan 8.290 nan 0.000 0.406 349 E N 0.120 120.123 120.200 -0.328 0.000 2.152 349 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 349 E C 1.870 178.393 176.600 -0.129 0.000 0.983 349 E CA 1.218 57.503 56.400 -0.191 0.000 0.818 349 E CB -0.127 29.496 29.700 -0.129 0.000 0.758 349 E HN 0.590 nan 8.360 nan 0.000 0.467 350 I N 0.672 121.176 120.570 -0.110 0.000 2.226 350 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 350 I C 2.169 178.263 176.117 -0.038 0.000 1.100 350 I CA 1.106 62.383 61.300 -0.038 0.000 1.374 350 I CB -0.090 37.936 38.000 0.043 0.000 1.057 350 I HN 0.115 nan 8.210 nan 0.000 0.413 351 I N -0.001 120.514 120.570 -0.091 0.000 2.286 351 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 351 I C 2.603 178.720 176.117 -0.000 0.000 1.104 351 I CA 1.283 62.568 61.300 -0.024 0.000 1.397 351 I CB -0.310 37.696 38.000 0.009 0.000 1.072 351 I HN 0.246 nan 8.210 nan 0.000 0.417 352 Q N 0.149 119.908 119.800 -0.069 0.000 2.061 352 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 352 Q C 2.216 178.212 176.000 -0.007 0.000 0.984 352 Q CA 1.444 57.227 55.803 -0.034 0.000 0.846 352 Q CB -0.211 28.479 28.738 -0.079 0.000 0.902 352 Q HN 0.404 nan 8.270 nan 0.000 0.421 353 E N 0.782 120.970 120.200 -0.020 0.000 2.153 353 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 353 E C 1.882 178.491 176.600 0.014 0.000 0.988 353 E CA 0.888 57.283 56.400 -0.008 0.000 0.811 353 E CB 0.110 29.799 29.700 -0.017 0.000 0.746 353 E HN 0.184 nan 8.360 nan 0.000 0.466 354 R N -0.438 120.085 120.500 0.039 0.000 2.075 354 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 354 R C 2.337 178.743 176.300 0.177 0.000 1.114 354 R CA 0.478 56.627 56.100 0.082 0.000 0.972 354 R CB -0.027 30.341 30.300 0.115 0.000 0.869 354 R HN 0.078 nan 8.270 nan 0.000 0.437 355 L N 1.115 122.445 121.223 0.178 0.000 2.083 355 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 355 L C 2.174 179.125 176.870 0.135 0.000 1.083 355 L CA 1.752 56.718 54.840 0.209 0.000 0.752 355 L CB -0.849 41.283 42.059 0.121 0.000 0.899 355 L HN 0.278 nan 8.230 nan 0.000 0.433 356 E N -0.817 119.420 120.200 0.062 0.000 2.072 356 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 356 E C 2.252 178.861 176.600 0.016 0.000 0.982 356 E CA 0.848 57.262 56.400 0.024 0.000 0.803 356 E CB 0.223 29.925 29.700 0.003 0.000 0.755 356 E HN 0.394 nan 8.360 nan 0.000 0.453 357 R N -0.144 120.358 120.500 0.004 0.000 2.087 357 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 357 R C 2.347 178.599 176.300 -0.079 0.000 1.137 357 R CA 0.585 56.666 56.100 -0.031 0.000 1.022 357 R CB -0.194 30.084 30.300 -0.036 0.000 0.920 357 R HN 0.142 nan 8.270 nan 0.000 0.451 358 E N 0.052 120.170 120.200 -0.137 0.000 2.047 358 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 358 E C 0.953 177.283 176.600 -0.451 0.000 0.987 358 E CA 1.377 57.554 56.400 -0.372 0.000 0.799 358 E CB 0.127 29.459 29.700 -0.614 0.000 0.752 358 E HN 0.314 nan 8.360 nan 0.000 0.449 359 Y N -0.363 119.935 120.300 -0.004 0.000 2.458 359 Y HA 0.141 4.691 4.550 -0.000 0.000 0.256 359 Y C -0.137 175.763 175.900 0.000 0.000 1.159 359 Y CA -0.049 58.052 58.100 0.001 0.000 1.261 359 Y CB 0.625 39.090 38.460 0.009 0.000 1.119 359 Y HN -0.088 nan 8.280 nan 0.000 0.524 360 D N 1.222 121.674 120.400 0.087 0.000 2.956 360 D HA -0.183 4.457 4.640 -0.000 0.000 0.240 360 D C -1.283 175.048 176.300 0.051 0.000 1.141 360 D CA 0.621 54.649 54.000 0.046 0.000 0.820 360 D CB -1.034 39.783 40.800 0.029 0.000 0.988 360 D HN 0.290 nan 8.370 nan 0.000 0.417 361 L N 1.690 122.935 121.223 0.036 0.000 2.409 361 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 361 L C -0.220 176.622 176.870 -0.046 0.000 0.980 361 L CA -1.047 53.787 54.840 -0.011 0.000 0.826 361 L CB 1.823 43.857 42.059 -0.040 0.000 1.268 361 L HN -0.070 nan 8.230 nan 0.000 0.407 362 D N 4.937 125.310 120.400 -0.046 0.000 2.365 362 D HA 0.476 5.116 4.640 -0.000 0.000 0.237 362 D C -0.526 175.727 176.300 -0.079 0.000 1.190 362 D CA 0.256 54.230 54.000 -0.044 0.000 0.867 362 D CB 1.112 41.903 40.800 -0.016 0.000 1.050 362 D HN 0.211 nan 8.370 nan 0.000 0.491 363 L N 2.921 124.090 121.223 -0.089 0.000 2.365 363 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 363 L C 0.074 176.940 176.870 -0.007 0.000 1.000 363 L CA -0.995 53.778 54.840 -0.112 0.000 0.819 363 L CB 2.079 44.001 42.059 -0.227 0.000 1.284 363 L HN 0.103 nan 8.230 nan 0.000 0.418 364 I N 1.685 122.290 120.570 0.058 0.000 2.441 364 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 364 I C 0.459 176.684 176.117 0.180 0.000 1.049 364 I CA 0.365 61.736 61.300 0.118 0.000 1.381 364 I CB 1.305 39.394 38.000 0.149 0.000 1.409 364 I HN 0.561 nan 8.210 nan 0.000 0.523 365 T N 4.862 119.509 114.554 0.155 0.000 2.841 365 T HA 0.456 4.806 4.350 -0.000 0.000 0.283 365 T C 0.053 174.869 174.700 0.193 0.000 1.000 365 T CA -0.463 61.751 62.100 0.190 0.000 0.977 365 T CB 1.007 69.957 68.868 0.137 0.000 0.979 365 T HN 0.806 nan 8.240 nan 0.000 0.446 366 T N 2.085 116.787 114.554 0.246 0.000 2.913 366 T HA 0.665 5.015 4.350 -0.000 0.000 0.287 366 T C 0.643 175.456 174.700 0.188 0.000 1.008 366 T CA -0.588 61.640 62.100 0.214 0.000 1.067 366 T CB 0.767 69.791 68.868 0.259 0.000 0.996 366 T HN 0.919 nan 8.240 nan 0.000 0.513 367 A N 4.352 127.267 122.820 0.158 0.000 2.573 367 A HA 0.343 4.663 4.320 -0.000 0.000 0.250 367 A C -1.694 176.000 177.584 0.183 0.000 1.049 367 A CA -0.929 51.198 52.037 0.150 0.000 0.767 367 A CB -0.951 18.127 19.000 0.130 0.000 0.965 367 A HN 0.794 nan 8.150 nan 0.000 0.514 368 P HA 0.168 nan 4.420 nan 0.000 0.271 368 P C -0.074 177.360 177.300 0.224 0.000 1.216 368 P CA 0.257 63.489 63.100 0.220 0.000 0.771 368 P CB 1.011 32.824 31.700 0.188 0.000 0.864 369 T N 1.287 116.004 114.554 0.272 0.000 2.912 369 T HA 0.549 4.899 4.350 -0.000 0.000 0.288 369 T C -0.026 174.833 174.700 0.265 0.000 1.030 369 T CA -0.657 61.601 62.100 0.264 0.000 1.020 369 T CB 1.010 70.039 68.868 0.268 0.000 1.056 369 T HN 0.251 nan 8.240 nan 0.000 0.480 370 V N 1.576 121.577 119.914 0.145 0.000 3.302 370 V HA 0.816 4.936 4.120 -0.000 0.000 0.316 370 V C -0.211 175.842 176.094 -0.069 0.000 1.111 370 V CA -0.810 61.508 62.300 0.030 0.000 1.029 370 V CB 1.252 33.004 31.823 -0.118 0.000 1.170 370 V HN 0.680 nan 8.190 nan 0.000 0.452 371 V N 1.804 121.704 119.914 -0.023 0.000 2.368 371 V HA 0.371 4.491 4.120 -0.000 0.000 0.266 371 V C -0.709 175.442 176.094 0.096 0.000 1.045 371 V CA -0.112 62.229 62.300 0.068 0.000 0.899 371 V CB -0.060 31.859 31.823 0.161 0.000 1.006 371 V HN 0.750 nan 8.190 nan 0.000 0.470 372 Y N 2.439 122.867 120.300 0.214 0.000 2.334 372 Y HA 0.404 4.954 4.550 -0.000 0.000 0.328 372 Y C 0.606 176.467 175.900 -0.065 0.000 1.130 372 Y CA -0.615 57.577 58.100 0.153 0.000 1.163 372 Y CB 1.172 39.678 38.460 0.077 0.000 1.207 372 Y HN 0.591 nan 8.280 nan 0.000 0.471 373 E N 2.699 122.766 120.200 -0.223 0.000 2.115 373 E HA 0.475 4.825 4.350 -0.000 0.000 0.282 373 E C -1.680 174.714 176.600 -0.342 0.000 0.987 373 E CA -0.455 55.556 56.400 -0.647 0.000 0.797 373 E CB 0.693 29.648 29.700 -1.242 0.000 1.086 373 E HN 0.461 nan 8.360 nan 0.000 0.397 374 V N 4.915 124.625 119.914 -0.339 0.000 2.378 374 V HA 0.215 4.335 4.120 -0.000 0.000 0.288 374 V C -0.188 175.808 176.094 -0.164 0.000 1.016 374 V CA -0.798 61.396 62.300 -0.177 0.000 0.840 374 V CB 1.413 33.165 31.823 -0.119 0.000 0.994 374 V HN 0.725 nan 8.190 nan 0.000 0.431 375 E N 3.111 123.269 120.200 -0.068 0.000 2.130 375 E HA 0.344 4.694 4.350 -0.000 0.000 0.284 375 E C -0.098 176.533 176.600 0.052 0.000 1.018 375 E CA -0.337 56.062 56.400 -0.003 0.000 0.817 375 E CB 0.927 30.689 29.700 0.102 0.000 1.078 375 E HN 0.727 nan 8.360 nan 0.000 0.396 376 T N 3.047 117.598 114.554 -0.004 0.000 2.860 376 T HA -0.058 4.292 4.350 -0.000 0.000 0.299 376 T C 1.357 176.075 174.700 0.030 0.000 1.045 376 T CA -0.047 62.056 62.100 0.005 0.000 1.071 376 T CB 1.309 70.159 68.868 -0.030 0.000 0.985 376 T HN 0.658 nan 8.240 nan 0.000 0.537 377 T N 1.293 115.873 114.554 0.042 0.000 2.699 377 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 377 T C 1.266 175.952 174.700 -0.023 0.000 1.036 377 T CA 1.677 63.803 62.100 0.042 0.000 1.147 377 T CB -0.257 68.630 68.868 0.032 0.000 0.862 377 T HN 0.509 nan 8.240 nan 0.000 0.446 378 S N 1.619 117.298 115.700 -0.034 0.000 2.494 378 S HA 0.254 4.724 4.470 -0.000 0.000 0.312 378 S C 0.336 174.890 174.600 -0.078 0.000 1.121 378 S CA -0.655 57.512 58.200 -0.055 0.000 1.068 378 S CB -0.218 62.959 63.200 -0.038 0.000 1.141 378 S HN 0.356 nan 8.310 nan 0.000 0.527 379 R N 3.775 124.199 120.500 -0.127 0.000 4.134 379 R HA -0.062 4.278 4.340 -0.000 0.000 0.157 379 R C 0.601 176.832 176.300 -0.114 0.000 1.876 379 R CA 0.417 56.414 56.100 -0.172 0.000 1.334 379 R CB -0.868 29.274 30.300 -0.264 0.000 1.277 379 R HN 0.751 nan 8.270 nan 0.000 0.721 380 E N -0.943 119.205 120.200 -0.085 0.000 2.244 380 E HA 0.391 4.741 4.350 -0.000 0.000 0.266 380 E C -1.004 175.540 176.600 -0.093 0.000 0.914 380 E CA -0.977 55.378 56.400 -0.075 0.000 0.794 380 E CB 1.699 31.364 29.700 -0.058 0.000 1.210 380 E HN -0.115 nan 8.360 nan 0.000 0.414 381 V N 3.711 123.557 119.914 -0.113 0.000 2.394 381 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 381 V C 0.200 176.140 176.094 -0.257 0.000 1.031 381 V CA -0.507 61.669 62.300 -0.206 0.000 0.881 381 V CB 0.489 32.176 31.823 -0.226 0.000 0.982 381 V HN 0.687 nan 8.190 nan 0.000 0.451 382 I N 1.379 121.741 120.570 -0.347 0.000 3.042 382 I HA 0.694 4.864 4.170 -0.000 0.000 0.310 382 I C -1.653 174.153 176.117 -0.518 0.000 1.117 382 I CA -1.119 59.995 61.300 -0.310 0.000 1.003 382 I CB 2.464 40.390 38.000 -0.123 0.000 1.228 382 I HN 0.409 nan 8.210 nan 0.000 0.443 383 Y N 2.755 123.011 120.300 -0.073 0.000 2.328 383 Y HA 0.618 5.168 4.550 -0.000 0.000 0.337 383 Y C -0.306 175.564 175.900 -0.050 0.000 0.966 383 Y CA -0.941 57.114 58.100 -0.076 0.000 1.136 383 Y CB 2.084 40.497 38.460 -0.078 0.000 1.170 383 Y HN 0.256 nan 8.280 nan 0.000 0.470 384 V N 4.411 124.389 119.914 0.106 0.000 2.347 384 V HA 0.153 4.273 4.120 -0.000 0.000 0.280 384 V C -0.137 175.976 176.094 0.032 0.000 1.021 384 V CA -0.550 61.788 62.300 0.062 0.000 0.847 384 V CB 1.288 33.150 31.823 0.065 0.000 0.990 384 V HN 0.818 nan 8.190 nan 0.000 0.444 385 D N 2.352 122.675 120.400 -0.127 0.000 2.146 385 D HA -0.003 4.637 4.640 -0.000 0.000 0.209 385 D C 1.113 177.268 176.300 -0.242 0.000 0.973 385 D CA 1.137 54.885 54.000 -0.420 0.000 0.860 385 D CB 0.135 40.524 40.800 -0.686 0.000 1.015 385 D HN 0.642 nan 8.370 nan 0.000 0.465 386 S N 0.275 115.907 115.700 -0.113 0.000 2.449 386 S HA 0.422 4.892 4.470 -0.000 0.000 0.310 386 S C -2.260 172.360 174.600 0.033 0.000 1.096 386 S CA -1.341 56.856 58.200 -0.004 0.000 1.095 386 S CB 2.685 65.897 63.200 0.019 0.000 1.007 386 S HN -0.256 nan 8.310 nan 0.000 0.474 387 P HA -0.157 nan 4.420 nan 0.000 0.217 387 P C 1.673 178.982 177.300 0.015 0.000 1.148 387 P CA 1.516 64.637 63.100 0.035 0.000 0.828 387 P CB -0.118 31.612 31.700 0.050 0.000 0.783 388 S N -0.712 115.005 115.700 0.027 0.000 2.442 388 S HA -0.117 4.353 4.470 -0.000 0.000 0.236 388 S C 1.634 176.240 174.600 0.009 0.000 1.007 388 S CA 1.047 59.258 58.200 0.019 0.000 0.965 388 S CB -0.810 62.408 63.200 0.031 0.000 0.773 388 S HN 0.216 nan 8.310 nan 0.000 0.504 389 K N 0.201 120.605 120.400 0.007 0.000 2.404 389 K HA 0.328 4.647 4.320 -0.000 0.000 0.194 389 K C 0.040 176.634 176.600 -0.011 0.000 1.023 389 K CA -0.333 55.954 56.287 0.000 0.000 1.094 389 K CB -0.040 32.461 32.500 0.001 0.000 0.841 389 K HN 0.306 nan 8.250 nan 0.000 0.523 390 L N 3.446 124.659 121.223 -0.017 0.000 2.513 390 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 390 L C -2.090 174.761 176.870 -0.033 0.000 1.187 390 L CA -1.365 53.455 54.840 -0.034 0.000 0.895 390 L CB 0.068 42.092 42.059 -0.059 0.000 1.147 390 L HN -0.030 nan 8.230 nan 0.000 0.483 391 P HA 0.055 nan 4.420 nan 0.000 0.269 391 P C -0.755 176.528 177.300 -0.029 0.000 1.211 391 P CA -0.295 62.788 63.100 -0.028 0.000 0.781 391 P CB 0.288 31.971 31.700 -0.028 0.000 0.877 392 A N 1.836 124.644 122.820 -0.021 0.000 2.492 392 A HA 0.061 4.381 4.320 -0.000 0.000 0.236 392 A C 1.763 179.334 177.584 -0.022 0.000 1.078 392 A CA -0.222 51.803 52.037 -0.019 0.000 0.773 392 A CB -0.435 18.557 19.000 -0.012 0.000 1.023 392 A HN 0.377 nan 8.150 nan 0.000 0.504 393 V N 1.630 121.530 119.914 -0.023 0.000 2.332 393 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 393 V C 2.066 178.148 176.094 -0.021 0.000 1.055 393 V CA 2.681 64.964 62.300 -0.029 0.000 1.038 393 V CB -1.281 30.524 31.823 -0.029 0.000 0.651 393 V HN 0.940 nan 8.190 nan 0.000 0.450 394 N N 0.802 119.495 118.700 -0.012 0.000 2.289 394 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 394 N C 1.381 176.894 175.510 0.005 0.000 1.016 394 N CA 1.101 54.149 53.050 -0.003 0.000 0.872 394 N CB -0.373 38.113 38.487 -0.001 0.000 0.973 394 N HN 0.494 nan 8.380 nan 0.000 0.433 395 N N 0.190 118.890 118.700 -0.000 0.000 2.336 395 N HA 0.106 4.846 4.740 -0.000 0.000 0.189 395 N C -0.362 175.156 175.510 0.013 0.000 1.113 395 N CA 0.199 53.252 53.050 0.005 0.000 0.858 395 N CB 0.714 39.198 38.487 -0.005 0.000 0.970 395 N HN 0.294 nan 8.380 nan 0.000 0.471 396 I N 1.483 122.057 120.570 0.006 0.000 2.291 396 I HA 0.018 4.188 4.170 -0.000 0.000 0.290 396 I C 1.130 177.267 176.117 0.034 0.000 1.050 396 I CA -0.525 60.779 61.300 0.007 0.000 1.245 396 I CB 0.759 38.739 38.000 -0.035 0.000 1.405 396 I HN -0.013 nan 8.210 nan 0.000 0.478 397 Y N 6.848 127.122 120.300 -0.043 0.000 2.130 397 Y HA 0.041 4.591 4.550 -0.000 0.000 0.287 397 Y C 0.776 176.656 175.900 -0.033 0.000 1.124 397 Y CA 1.132 59.211 58.100 -0.035 0.000 1.118 397 Y CB 0.381 38.819 38.460 -0.035 0.000 0.994 397 Y HN 0.546 nan 8.280 nan 0.000 0.497 398 E N 0.561 120.708 120.200 -0.088 0.000 2.291 398 E HA 0.330 4.680 4.350 -0.000 0.000 0.276 398 E C -2.257 174.314 176.600 -0.048 0.000 0.896 398 E CA -0.924 55.376 56.400 -0.168 0.000 0.774 398 E CB 1.472 31.070 29.700 -0.170 0.000 1.227 398 E HN 0.174 nan 8.360 nan 0.000 0.413 399 L N 4.659 125.847 121.223 -0.057 0.000 2.265 399 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 399 L C -0.935 175.955 176.870 0.034 0.000 1.033 399 L CA -0.168 54.656 54.840 -0.028 0.000 0.814 399 L CB 0.850 42.874 42.059 -0.059 0.000 1.203 399 L HN 0.537 nan 8.230 nan 0.000 0.423 400 R N 3.673 124.211 120.500 0.062 0.000 2.460 400 R HA 0.481 4.821 4.340 -0.000 0.000 0.303 400 R C -0.814 175.683 176.300 0.328 0.000 0.968 400 R CA -0.594 55.596 56.100 0.150 0.000 0.889 400 R CB 1.790 32.146 30.300 0.093 0.000 1.123 400 R HN 0.668 nan 8.270 nan 0.000 0.455 401 E N 4.751 125.197 120.200 0.409 0.000 2.199 401 E HA 0.367 4.717 4.350 -0.000 0.000 0.269 401 E C -2.448 174.401 176.600 0.416 0.000 0.899 401 E CA -2.447 54.239 56.400 0.476 0.000 0.772 401 E CB 1.993 31.922 29.700 0.382 0.000 1.155 401 E HN 0.235 nan 8.360 nan 0.000 0.408 402 P HA 0.130 nan 4.420 nan 0.000 0.271 402 P C -0.433 176.847 177.300 -0.033 0.000 1.220 402 P CA -0.123 63.033 63.100 0.093 0.000 0.768 402 P CB 0.557 32.328 31.700 0.118 0.000 0.848 403 I N 2.460 122.911 120.570 -0.199 0.000 2.437 403 I HA 0.504 4.674 4.170 -0.000 0.000 0.298 403 I C 0.672 176.625 176.117 -0.273 0.000 0.984 403 I CA -1.081 60.099 61.300 -0.200 0.000 1.214 403 I CB 1.283 39.169 38.000 -0.190 0.000 1.365 403 I HN 0.350 nan 8.210 nan 0.000 0.469 404 A N 5.027 127.749 122.820 -0.163 0.000 2.342 404 A HA 0.494 4.814 4.320 -0.000 0.000 0.323 404 A C -0.234 177.294 177.584 -0.093 0.000 1.125 404 A CA -0.635 51.345 52.037 -0.095 0.000 0.785 404 A CB 1.067 20.059 19.000 -0.013 0.000 1.221 404 A HN 0.757 nan 8.150 nan 0.000 0.463 405 E N 1.337 121.490 120.200 -0.078 0.000 2.167 405 E HA 0.400 4.750 4.350 -0.000 0.000 0.284 405 E C -1.250 175.281 176.600 -0.115 0.000 1.016 405 E CA -0.396 55.922 56.400 -0.137 0.000 0.817 405 E CB 0.519 30.117 29.700 -0.170 0.000 1.080 405 E HN 0.648 nan 8.360 nan 0.000 0.397 406 C N 5.313 124.547 119.300 -0.110 0.000 2.258 406 C HA 0.336 4.796 4.460 -0.000 0.000 0.321 406 C C -0.656 174.318 174.990 -0.026 0.000 1.168 406 C CA -0.947 58.093 59.018 0.036 0.000 1.531 406 C CB -1.057 26.764 27.740 0.135 0.000 2.095 406 C HN 0.742 nan 8.230 nan 0.000 0.449 407 H N 2.744 121.920 119.070 0.178 0.000 2.742 407 H HA 0.536 5.092 4.556 -0.000 0.000 0.302 407 H C 0.072 175.498 175.328 0.163 0.000 1.069 407 H CA 0.413 56.553 56.048 0.155 0.000 1.446 407 H CB 0.382 30.229 29.762 0.141 0.000 1.462 407 H HN 0.565 nan 8.280 nan 0.000 0.499 408 M N 3.783 123.531 119.600 0.247 0.000 2.393 408 M HA 0.351 4.831 4.480 -0.000 0.000 0.299 408 M C -1.305 175.094 176.300 0.165 0.000 1.103 408 M CA -0.665 54.749 55.300 0.191 0.000 0.910 408 M CB 2.594 35.292 32.600 0.163 0.000 1.659 408 M HN 0.296 nan 8.290 nan 0.000 0.445 409 L N 5.468 126.772 121.223 0.136 0.000 2.333 409 L HA 0.783 5.123 4.340 -0.000 0.000 0.280 409 L C -1.001 175.936 176.870 0.112 0.000 1.004 409 L CA -0.593 54.323 54.840 0.126 0.000 0.820 409 L CB 1.750 43.869 42.059 0.100 0.000 1.247 409 L HN 0.788 nan 8.230 nan 0.000 0.416 410 L N 2.787 124.092 121.223 0.137 0.000 2.556 410 L HA 0.707 5.047 4.340 -0.000 0.000 0.257 410 L C -2.828 174.162 176.870 0.200 0.000 0.955 410 L CA -1.715 53.220 54.840 0.158 0.000 0.850 410 L CB 2.062 44.202 42.059 0.135 0.000 1.398 410 L HN 0.243 nan 8.230 nan 0.000 0.412 411 P HA 0.068 nan 4.420 nan 0.000 0.268 411 P C -0.174 177.258 177.300 0.220 0.000 1.208 411 P CA 0.020 63.263 63.100 0.239 0.000 0.777 411 P CB 0.830 32.690 31.700 0.267 0.000 0.875 412 Q N 1.874 121.768 119.800 0.157 0.000 2.135 412 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 412 Q C 1.910 177.935 176.000 0.041 0.000 0.981 412 Q CA 2.048 57.931 55.803 0.133 0.000 0.856 412 Q CB -0.543 28.262 28.738 0.112 0.000 0.902 412 Q HN 0.587 nan 8.270 nan 0.000 0.425 413 A N -0.732 122.036 122.820 -0.087 0.000 2.263 413 A HA -0.104 4.216 4.320 -0.000 0.000 0.205 413 A C 0.463 177.720 177.584 -0.545 0.000 1.226 413 A CA 0.782 52.620 52.037 -0.330 0.000 0.810 413 A CB -0.215 18.499 19.000 -0.478 0.000 0.784 413 A HN 0.405 nan 8.150 nan 0.000 0.486 414 Y N -2.009 118.294 120.300 0.005 0.000 2.437 414 Y HA 0.128 4.678 4.550 -0.000 0.000 0.266 414 Y C 1.764 177.672 175.900 0.015 0.000 1.077 414 Y CA -0.165 57.934 58.100 -0.002 0.000 1.235 414 Y CB -0.173 38.281 38.460 -0.011 0.000 1.303 414 Y HN 0.274 nan 8.280 nan 0.000 0.536 415 L N -1.103 120.216 121.223 0.159 0.000 2.089 415 L HA -0.039 4.301 4.340 -0.000 0.000 0.213 415 L C 2.161 179.085 176.870 0.091 0.000 1.079 415 L CA 2.445 57.358 54.840 0.121 0.000 0.758 415 L CB -1.366 40.762 42.059 0.115 0.000 0.891 415 L HN 0.098 nan 8.230 nan 0.000 0.433 416 G N -0.182 108.661 108.800 0.073 0.000 2.422 416 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 416 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 416 G C 1.280 176.211 174.900 0.050 0.000 1.146 416 G CA 0.988 46.119 45.100 0.053 0.000 0.769 416 G HN 0.531 nan 8.290 nan 0.000 0.547 417 N N -0.457 118.284 118.700 0.069 0.000 2.494 417 N HA 0.062 4.802 4.740 -0.000 0.000 0.182 417 N C 1.897 177.431 175.510 0.040 0.000 1.076 417 N CA 0.290 53.380 53.050 0.066 0.000 0.908 417 N CB 0.438 38.995 38.487 0.117 0.000 0.967 417 N HN 0.255 nan 8.380 nan 0.000 0.449 418 V N 0.923 120.860 119.914 0.039 0.000 2.521 418 V HA 0.023 4.143 4.120 -0.000 0.000 0.239 418 V C 2.067 178.123 176.094 -0.063 0.000 1.053 418 V CA 0.572 62.867 62.300 -0.009 0.000 1.073 418 V CB -0.346 31.483 31.823 0.011 0.000 0.746 418 V HN 0.310 nan 8.190 nan 0.000 0.476 419 I N -0.437 120.109 120.570 -0.041 0.000 2.614 419 I HA -0.169 4.001 4.170 -0.000 0.000 0.258 419 I C 2.080 178.167 176.117 -0.050 0.000 1.189 419 I CA 1.968 63.214 61.300 -0.091 0.000 1.462 419 I CB -1.574 36.501 38.000 0.124 0.000 1.092 419 I HN 0.343 nan 8.210 nan 0.000 0.442 420 T N 1.060 115.609 114.554 -0.009 0.000 2.951 420 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 420 T C 1.945 176.641 174.700 -0.007 0.000 1.073 420 T CA 1.219 63.321 62.100 0.004 0.000 1.134 420 T CB -0.123 68.755 68.868 0.016 0.000 0.884 420 T HN 0.477 nan 8.240 nan 0.000 0.479 421 L N -0.228 120.984 121.223 -0.018 0.000 2.068 421 L HA 0.016 4.356 4.340 -0.000 0.000 0.204 421 L C 2.725 179.593 176.870 -0.003 0.000 1.076 421 L CA 1.074 55.919 54.840 0.009 0.000 0.753 421 L CB -0.506 41.563 42.059 0.018 0.000 0.910 421 L HN 0.319 nan 8.230 nan 0.000 0.439 422 C N -0.637 118.594 119.300 -0.114 0.000 2.398 422 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 422 C C 2.853 177.732 174.990 -0.186 0.000 1.222 422 C CA 1.318 60.160 59.018 -0.293 0.000 1.746 422 C CB -0.785 26.350 27.740 -1.008 0.000 2.039 422 C HN 0.656 nan 8.230 nan 0.000 0.470 423 V N -0.657 119.202 119.914 -0.091 0.000 2.427 423 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 423 V C 2.314 178.402 176.094 -0.010 0.000 1.051 423 V CA 2.257 64.564 62.300 0.011 0.000 1.048 423 V CB -0.903 30.953 31.823 0.054 0.000 0.666 423 V HN 0.577 nan 8.190 nan 0.000 0.456 424 E N 0.684 120.877 120.200 -0.012 0.000 2.153 424 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 424 E C 1.262 177.853 176.600 -0.015 0.000 0.988 424 E CA 0.960 57.359 56.400 -0.001 0.000 0.811 424 E CB -0.016 29.693 29.700 0.015 0.000 0.746 424 E HN 0.490 nan 8.360 nan 0.000 0.466 425 K N 0.762 121.137 120.400 -0.042 0.000 2.627 425 K HA 0.102 4.422 4.320 -0.000 0.000 0.212 425 K C -0.058 176.468 176.600 -0.123 0.000 1.041 425 K CA -0.155 56.077 56.287 -0.093 0.000 1.205 425 K CB -0.239 32.150 32.500 -0.184 0.000 0.936 425 K HN 0.148 nan 8.250 nan 0.000 0.489 426 R N -0.643 119.804 120.500 -0.089 0.000 3.525 426 R HA -0.150 4.190 4.340 -0.000 0.000 0.276 426 R C 0.506 176.767 176.300 -0.064 0.000 1.116 426 R CA 0.655 56.696 56.100 -0.098 0.000 0.745 426 R CB -2.056 28.141 30.300 -0.172 0.000 1.185 426 R HN 0.374 nan 8.270 nan 0.000 0.454 427 G N -0.142 108.647 108.800 -0.017 0.000 2.476 427 G HA2 0.514 4.474 3.960 -0.000 0.000 0.269 427 G HA3 0.514 4.474 3.960 -0.000 0.000 0.269 427 G C -0.278 174.744 174.900 0.204 0.000 1.195 427 G CA -0.399 44.760 45.100 0.097 0.000 0.843 427 G HN 0.031 nan 8.290 nan 0.000 0.545 428 V N 1.446 121.465 119.914 0.175 0.000 2.443 428 V HA 0.273 4.393 4.120 -0.000 0.000 0.293 428 V C 0.074 175.972 176.094 -0.328 0.000 1.021 428 V CA -0.749 61.541 62.300 -0.017 0.000 0.848 428 V CB 1.398 33.188 31.823 -0.055 0.000 0.998 428 V HN 0.888 nan 8.190 nan 0.000 0.424 429 Q N 2.212 121.603 119.800 -0.682 0.000 2.297 429 Q HA 0.175 4.515 4.340 -0.000 0.000 0.267 429 Q C 0.700 176.392 176.000 -0.513 0.000 1.006 429 Q CA 0.365 55.487 55.803 -1.134 0.000 0.896 429 Q CB 1.246 29.422 28.738 -0.938 0.000 1.186 429 Q HN 0.836 nan 8.270 nan 0.000 0.392 430 T N 3.033 117.331 114.554 -0.426 0.000 3.033 430 T HA 0.106 4.456 4.350 -0.000 0.000 0.248 430 T C -0.344 174.252 174.700 -0.173 0.000 1.040 430 T CA 0.379 62.341 62.100 -0.230 0.000 1.133 430 T CB 0.169 68.932 68.868 -0.174 0.000 0.895 430 T HN 0.714 nan 8.240 nan 0.000 0.465 431 N N -0.071 118.524 118.700 -0.176 0.000 2.935 431 N HA 0.389 5.129 4.740 -0.000 0.000 0.248 431 N C -1.953 173.493 175.510 -0.106 0.000 1.276 431 N CA -0.552 52.429 53.050 -0.115 0.000 0.906 431 N CB 1.427 39.873 38.487 -0.068 0.000 1.564 431 N HN 0.058 nan 8.380 nan 0.000 0.500 432 M N 2.905 122.435 119.600 -0.116 0.000 2.238 432 M HA 0.525 5.005 4.480 -0.000 0.000 0.278 432 M C -1.954 174.205 176.300 -0.235 0.000 1.040 432 M CA -0.608 54.592 55.300 -0.166 0.000 0.969 432 M CB 1.445 33.932 32.600 -0.188 0.000 1.694 432 M HN 0.317 nan 8.290 nan 0.000 0.472 433 V N 4.500 124.248 119.914 -0.277 0.000 2.709 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.308 433 V C -1.405 174.394 176.094 -0.491 0.000 1.062 433 V CA -0.651 61.449 62.300 -0.333 0.000 0.901 433 V CB 2.184 33.861 31.823 -0.243 0.000 1.003 433 V HN 0.761 nan 8.190 nan 0.000 0.425 434 Y N 2.251 122.386 120.300 -0.274 0.000 2.326 434 Y HA 0.482 5.032 4.550 -0.000 0.000 0.337 434 Y C 0.330 176.017 175.900 -0.356 0.000 1.023 434 Y CA -0.208 57.757 58.100 -0.225 0.000 1.143 434 Y CB 1.032 39.436 38.460 -0.093 0.000 1.183 434 Y HN 0.674 nan 8.280 nan 0.000 0.485 435 H N 2.605 121.797 119.070 0.204 0.000 2.439 435 H HA 0.384 4.940 4.556 -0.000 0.000 0.239 435 H C 0.823 176.223 175.328 0.120 0.000 1.432 435 H CA 0.029 56.156 56.048 0.132 0.000 1.373 435 H CB 0.489 30.312 29.762 0.101 0.000 1.463 435 H HN 0.976 nan 8.280 nan 0.000 0.530 436 G N 2.635 111.537 108.800 0.171 0.000 2.574 436 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.301 436 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.301 436 G C 0.988 175.949 174.900 0.102 0.000 1.166 436 G CA 0.381 45.545 45.100 0.106 0.000 0.971 436 G HN 0.685 nan 8.290 nan 0.000 0.542 437 N N 1.256 120.018 118.700 0.104 0.000 2.295 437 N HA 0.189 4.929 4.740 -0.000 0.000 0.221 437 N C 0.477 176.086 175.510 0.166 0.000 1.129 437 N CA 0.496 53.610 53.050 0.107 0.000 0.836 437 N CB 0.870 39.396 38.487 0.065 0.000 1.040 437 N HN 0.665 nan 8.380 nan 0.000 0.494 438 Q N 0.716 120.644 119.800 0.214 0.000 2.309 438 Q HA 0.487 4.827 4.340 -0.000 0.000 0.264 438 Q C -1.388 174.767 176.000 0.258 0.000 1.008 438 Q CA -0.691 55.252 55.803 0.233 0.000 0.853 438 Q CB 2.334 31.212 28.738 0.232 0.000 1.314 438 Q HN 0.063 nan 8.270 nan 0.000 0.448 439 V N 2.116 122.150 119.914 0.200 0.000 2.448 439 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 439 V C -0.505 175.651 176.094 0.104 0.000 1.025 439 V CA -0.881 61.466 62.300 0.079 0.000 0.859 439 V CB 1.509 33.352 31.823 0.033 0.000 0.988 439 V HN 0.871 nan 8.190 nan 0.000 0.431 440 A N 6.039 128.895 122.820 0.060 0.000 3.016 440 A HA 0.549 4.869 4.320 -0.000 0.000 0.303 440 A C -0.116 177.508 177.584 0.068 0.000 1.507 440 A CA -0.204 51.914 52.037 0.136 0.000 1.196 440 A CB -0.438 18.712 19.000 0.249 0.000 1.169 440 A HN 0.829 nan 8.150 nan 0.000 0.544 441 L N 1.574 122.851 121.223 0.091 0.000 2.360 441 L HA 0.288 4.628 4.340 -0.000 0.000 0.276 441 L C 0.671 177.632 176.870 0.152 0.000 1.121 441 L CA 0.169 55.079 54.840 0.116 0.000 0.845 441 L CB 1.295 43.455 42.059 0.169 0.000 1.143 441 L HN 0.535 nan 8.230 nan 0.000 0.452 442 T N 3.706 118.319 114.554 0.098 0.000 2.890 442 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 442 T C -0.978 173.716 174.700 -0.010 0.000 0.993 442 T CA -0.288 61.839 62.100 0.045 0.000 0.979 442 T CB 0.379 69.237 68.868 -0.017 0.000 0.967 442 T HN 0.318 nan 8.240 nan 0.000 0.441 443 Y N 2.221 122.478 120.300 -0.071 0.000 2.528 443 Y HA 0.537 5.087 4.550 -0.000 0.000 0.335 443 Y C 0.652 176.486 175.900 -0.109 0.000 1.093 443 Y CA -0.817 57.242 58.100 -0.069 0.000 1.134 443 Y CB 1.851 40.293 38.460 -0.031 0.000 1.253 443 Y HN 0.577 nan 8.280 nan 0.000 0.478 444 E N 3.432 123.644 120.200 0.020 0.000 2.102 444 E HA 0.410 4.760 4.350 -0.000 0.000 0.263 444 E C -1.334 175.261 176.600 -0.010 0.000 0.894 444 E CA -0.207 56.172 56.400 -0.036 0.000 0.746 444 E CB 1.009 30.656 29.700 -0.089 0.000 1.129 444 E HN 0.405 nan 8.360 nan 0.000 0.416 445 I N 4.191 124.719 120.570 -0.070 0.000 2.465 445 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 445 I C -2.364 173.656 176.117 -0.162 0.000 1.014 445 I CA -2.829 58.384 61.300 -0.145 0.000 1.093 445 I CB 1.879 39.698 38.000 -0.302 0.000 1.267 445 I HN 0.184 nan 8.210 nan 0.000 0.431 446 P HA -0.005 nan 4.420 nan 0.000 0.262 446 P C 0.532 177.762 177.300 -0.118 0.000 1.182 446 P CA 0.033 63.078 63.100 -0.093 0.000 0.761 446 P CB 0.511 32.177 31.700 -0.057 0.000 0.795 447 M N 5.595 125.149 119.600 -0.077 0.000 2.149 447 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 447 M C 1.789 178.058 176.300 -0.052 0.000 1.064 447 M CA 2.214 57.475 55.300 -0.066 0.000 1.102 447 M CB -1.117 31.489 32.600 0.011 0.000 1.369 447 M HN 0.383 nan 8.290 nan 0.000 0.408 448 A N -0.918 121.892 122.820 -0.018 0.000 1.978 448 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 448 A C 2.043 179.645 177.584 0.029 0.000 1.170 448 A CA 2.148 54.212 52.037 0.045 0.000 0.636 448 A CB -0.793 18.303 19.000 0.160 0.000 0.810 448 A HN 0.585 nan 8.150 nan 0.000 0.448 449 E N -0.724 119.450 120.200 -0.044 0.000 2.170 449 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 449 E C 1.883 178.385 176.600 -0.162 0.000 0.981 449 E CA 0.872 57.216 56.400 -0.093 0.000 0.830 449 E CB -0.106 29.497 29.700 -0.162 0.000 0.775 449 E HN 0.307 nan 8.360 nan 0.000 0.470 450 V N -0.245 119.522 119.914 -0.245 0.000 2.358 450 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 450 V C 2.140 178.235 176.094 0.002 0.000 1.047 450 V CA 1.455 63.594 62.300 -0.269 0.000 1.035 450 V CB -0.345 31.214 31.823 -0.439 0.000 0.658 450 V HN 0.146 nan 8.190 nan 0.000 0.452 451 V N -0.737 119.182 119.914 0.009 0.000 2.548 451 V HA -0.006 4.114 4.120 -0.000 0.000 0.249 451 V C 1.179 177.340 176.094 0.112 0.000 1.055 451 V CA 0.480 62.830 62.300 0.082 0.000 1.065 451 V CB -0.471 31.413 31.823 0.102 0.000 0.681 451 V HN 0.300 nan 8.190 nan 0.000 0.462 452 L N 1.974 123.259 121.223 0.104 0.000 2.433 452 L HA 0.144 4.484 4.340 -0.000 0.000 0.275 452 L C 0.259 177.218 176.870 0.148 0.000 1.128 452 L CA 0.519 55.428 54.840 0.115 0.000 0.875 452 L CB -0.272 41.847 42.059 0.099 0.000 1.171 452 L HN 0.315 nan 8.230 nan 0.000 0.463 453 D N 3.511 123.995 120.400 0.140 0.000 3.465 453 D HA -0.242 4.398 4.640 -0.000 0.000 0.252 453 D C 0.556 176.972 176.300 0.193 0.000 1.399 453 D CA 0.749 54.841 54.000 0.153 0.000 0.946 453 D CB 0.131 40.995 40.800 0.107 0.000 1.183 453 D HN 0.487 nan 8.370 nan 0.000 0.622 454 F N 3.997 123.982 119.950 0.059 0.000 2.581 454 F HA 0.111 4.638 4.527 -0.000 0.000 0.278 454 F C 1.469 177.303 175.800 0.057 0.000 1.000 454 F CA -0.348 57.669 58.000 0.029 0.000 1.230 454 F CB -0.392 38.605 39.000 -0.005 0.000 1.008 454 F HN 0.189 nan 8.300 nan 0.000 0.695 455 F N 2.123 121.956 119.950 -0.195 0.000 2.154 455 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 455 F C 1.867 177.536 175.800 -0.218 0.000 1.087 455 F CA 2.230 60.079 58.000 -0.252 0.000 1.274 455 F CB -0.548 38.437 39.000 -0.024 0.000 1.009 455 F HN -0.021 nan 8.300 nan 0.000 0.485 456 D N -0.172 120.158 120.400 -0.116 0.000 2.117 456 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 456 D C 2.461 178.622 176.300 -0.230 0.000 0.982 456 D CA 1.167 55.066 54.000 -0.168 0.000 0.828 456 D CB -0.290 40.496 40.800 -0.023 0.000 0.967 456 D HN 0.297 nan 8.370 nan 0.000 0.464 457 R N -0.090 120.283 120.500 -0.213 0.000 2.090 457 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 457 R C 2.363 178.496 176.300 -0.279 0.000 1.110 457 R CA 0.407 56.395 56.100 -0.188 0.000 0.973 457 R CB -0.310 29.936 30.300 -0.090 0.000 0.869 457 R HN 0.182 nan 8.270 nan 0.000 0.440 458 L N 1.047 121.980 121.223 -0.483 0.000 2.201 458 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 458 L C 2.111 178.752 176.870 -0.381 0.000 1.105 458 L CA 1.610 56.174 54.840 -0.460 0.000 0.775 458 L CB -0.072 41.590 42.059 -0.662 0.000 0.913 458 L HN -0.062 nan 8.230 nan 0.000 0.440 459 K N -0.513 119.618 120.400 -0.448 0.000 2.062 459 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 459 K C 2.330 178.777 176.600 -0.254 0.000 1.051 459 K CA 1.352 57.399 56.287 -0.399 0.000 0.941 459 K CB -0.070 32.120 32.500 -0.517 0.000 0.719 459 K HN 0.572 nan 8.250 nan 0.000 0.440 460 S N -0.984 114.591 115.700 -0.208 0.000 2.377 460 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 460 S C 2.085 176.613 174.600 -0.120 0.000 1.030 460 S CA 1.631 59.750 58.200 -0.135 0.000 0.970 460 S CB -0.507 62.634 63.200 -0.097 0.000 0.830 460 S HN 0.261 nan 8.310 nan 0.000 0.473 461 T N 1.656 116.134 114.554 -0.128 0.000 3.007 461 T HA 0.029 4.379 4.350 -0.000 0.000 0.270 461 T C 1.574 176.208 174.700 -0.111 0.000 1.107 461 T CA 1.491 63.542 62.100 -0.082 0.000 1.118 461 T CB -0.551 68.278 68.868 -0.065 0.000 0.889 461 T HN 0.725 nan 8.240 nan 0.000 0.506 462 S N -0.481 115.070 115.700 -0.248 0.000 2.603 462 S HA 0.321 4.791 4.470 -0.000 0.000 0.232 462 S C 0.619 174.893 174.600 -0.543 0.000 1.016 462 S CA -0.447 57.405 58.200 -0.579 0.000 0.976 462 S CB -0.035 62.908 63.200 -0.430 0.000 0.921 462 S HN 0.536 nan 8.310 nan 0.000 0.516 463 R N 0.854 121.206 120.500 -0.247 0.000 3.422 463 R HA -0.158 4.182 4.340 -0.000 0.000 0.267 463 R C 1.016 177.320 176.300 0.006 0.000 1.074 463 R CA 0.420 56.459 56.100 -0.102 0.000 0.718 463 R CB -2.252 28.010 30.300 -0.064 0.000 1.157 463 R HN 1.119 nan 8.270 nan 0.000 0.440 464 G N -1.906 106.841 108.800 -0.088 0.000 2.175 464 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.244 464 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.244 464 G C 0.280 175.080 174.900 -0.166 0.000 0.982 464 G CA 0.365 45.387 45.100 -0.129 0.000 0.641 464 G HN 0.414 nan 8.290 nan 0.000 0.527 465 Y N 0.799 120.951 120.300 -0.246 0.000 2.503 465 Y HA 0.578 5.128 4.550 -0.000 0.000 0.278 465 Y C 2.084 177.901 175.900 -0.139 0.000 1.111 465 Y CA 0.705 58.691 58.100 -0.190 0.000 1.270 465 Y CB 0.429 38.742 38.460 -0.244 0.000 1.063 465 Y HN 0.535 nan 8.280 nan 0.000 0.548 466 A N 0.706 123.496 122.820 -0.049 0.000 2.309 466 A HA 0.486 4.806 4.320 -0.000 0.000 0.290 466 A C 0.147 177.705 177.584 -0.043 0.000 1.206 466 A CA -0.366 51.650 52.037 -0.034 0.000 0.850 466 A CB -0.148 18.813 19.000 -0.065 0.000 1.118 466 A HN 0.224 nan 8.150 nan 0.000 0.523 467 S N 3.329 119.045 115.700 0.026 0.000 2.457 467 S HA 0.583 5.053 4.470 -0.000 0.000 0.289 467 S C -0.371 174.328 174.600 0.165 0.000 1.163 467 S CA -0.641 57.609 58.200 0.083 0.000 1.078 467 S CB 0.861 64.099 63.200 0.063 0.000 0.987 467 S HN 0.692 nan 8.310 nan 0.000 0.482 468 L N 2.805 124.204 121.223 0.293 0.000 2.264 468 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 468 L C -0.946 176.133 176.870 0.349 0.000 1.044 468 L CA -0.312 54.753 54.840 0.375 0.000 0.807 468 L CB 1.168 43.564 42.059 0.562 0.000 1.192 468 L HN 0.882 nan 8.230 nan 0.000 0.425 469 D N 3.995 124.572 120.400 0.294 0.000 2.593 469 D HA 0.444 5.083 4.640 -0.000 0.000 0.251 469 D C -1.507 174.984 176.300 0.318 0.000 1.140 469 D CA -0.174 53.933 54.000 0.179 0.000 0.855 469 D CB 1.077 41.941 40.800 0.107 0.000 1.267 469 D HN 0.327 nan 8.370 nan 0.000 0.532 470 Y N 1.944 122.300 120.300 0.093 0.000 2.504 470 Y HA 0.558 5.107 4.550 -0.000 0.000 0.344 470 Y C -1.350 174.593 175.900 0.072 0.000 1.023 470 Y CA -1.092 57.070 58.100 0.104 0.000 1.020 470 Y CB 1.120 39.637 38.460 0.096 0.000 1.282 470 Y HN 0.341 nan 8.280 nan 0.000 0.454 471 N N 2.647 121.441 118.700 0.157 0.000 2.405 471 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 471 N C -1.457 174.151 175.510 0.162 0.000 1.262 471 N CA -0.722 52.383 53.050 0.092 0.000 0.773 471 N CB 2.412 40.950 38.487 0.085 0.000 1.490 471 N HN 0.710 nan 8.380 nan 0.000 0.486 472 F N 0.818 120.772 119.950 0.008 0.000 2.553 472 F HA 0.109 4.636 4.527 -0.000 0.000 0.356 472 F C 1.208 176.976 175.800 -0.054 0.000 1.142 472 F CA 0.545 58.518 58.000 -0.046 0.000 1.322 472 F CB 0.988 39.923 39.000 -0.107 0.000 1.126 472 F HN 0.798 nan 8.300 nan 0.000 0.599 473 K N 2.898 122.611 120.400 -1.144 0.000 2.494 473 K HA 0.376 4.696 4.320 -0.000 0.000 0.201 473 K C -0.455 175.578 176.600 -0.945 0.000 1.338 473 K CA 0.064 55.899 56.287 -0.754 0.000 0.935 473 K CB 0.375 32.623 32.500 -0.421 0.000 1.514 473 K HN 0.701 nan 8.250 nan 0.000 0.490 474 R N -0.758 118.981 120.500 -1.269 0.000 2.753 474 R HA 0.226 4.566 4.340 -0.000 0.000 0.272 474 R C -1.579 174.445 176.300 -0.460 0.000 1.034 474 R CA -0.586 55.151 56.100 -0.605 0.000 0.869 474 R CB 0.257 30.407 30.300 -0.251 0.000 1.264 474 R HN 0.019 nan 8.270 nan 0.000 0.481 475 F N 1.552 121.557 119.950 0.091 0.000 2.379 475 F HA 0.414 4.941 4.527 -0.000 0.000 0.332 475 F C 0.462 176.308 175.800 0.076 0.000 1.096 475 F CA -0.019 58.071 58.000 0.150 0.000 1.105 475 F CB 1.688 40.830 39.000 0.237 0.000 1.189 475 F HN 0.285 nan 8.300 nan 0.000 0.515 476 Q N 1.868 121.837 119.800 0.281 0.000 2.315 476 Q HA 0.607 4.947 4.340 -0.000 0.000 0.273 476 Q C -1.126 174.965 176.000 0.151 0.000 1.053 476 Q CA -1.062 54.839 55.803 0.164 0.000 0.817 476 Q CB 2.131 30.918 28.738 0.083 0.000 1.326 476 Q HN 0.818 nan 8.270 nan 0.000 0.423 477 A N 2.207 125.091 122.820 0.105 0.000 2.567 477 A HA 0.346 4.666 4.320 -0.000 0.000 0.240 477 A C -0.243 177.386 177.584 0.074 0.000 1.053 477 A CA 0.802 52.882 52.037 0.070 0.000 0.755 477 A CB 0.279 19.297 19.000 0.030 0.000 0.978 477 A HN 0.494 nan 8.150 nan 0.000 0.507 478 S N 0.581 116.330 115.700 0.082 0.000 2.537 478 S HA 0.348 4.818 4.470 -0.000 0.000 0.271 478 S C -1.317 173.343 174.600 0.100 0.000 1.148 478 S CA -0.663 57.608 58.200 0.119 0.000 0.868 478 S CB 1.435 64.734 63.200 0.164 0.000 1.115 478 S HN 0.744 nan 8.310 nan 0.000 0.461 479 D N 2.998 123.476 120.400 0.130 0.000 2.498 479 D HA 0.302 4.942 4.640 -0.000 0.000 0.229 479 D C -0.552 175.680 176.300 -0.113 0.000 1.188 479 D CA 0.222 54.207 54.000 -0.025 0.000 1.028 479 D CB -0.298 40.448 40.800 -0.089 0.000 1.087 479 D HN 0.340 nan 8.370 nan 0.000 0.510 480 M N 3.188 122.754 119.600 -0.055 0.000 2.294 480 M HA 0.370 4.850 4.480 -0.000 0.000 0.335 480 M C -0.809 175.415 176.300 -0.127 0.000 1.079 480 M CA -0.940 54.319 55.300 -0.069 0.000 0.982 480 M CB 1.785 34.349 32.600 -0.059 0.000 1.651 480 M HN 0.097 nan 8.290 nan 0.000 0.437 481 V N 1.635 121.476 119.914 -0.122 0.000 3.113 481 V HA 0.763 4.883 4.120 -0.000 0.000 0.316 481 V C -0.910 175.128 176.094 -0.094 0.000 1.125 481 V CA -1.103 61.132 62.300 -0.109 0.000 1.026 481 V CB 2.004 33.768 31.823 -0.097 0.000 1.080 481 V HN 0.882 nan 8.190 nan 0.000 0.444 482 R N 1.120 121.575 120.500 -0.075 0.000 2.343 482 R HA 0.742 5.082 4.340 -0.000 0.000 0.320 482 R C -1.730 174.556 176.300 -0.024 0.000 0.956 482 R CA -0.482 55.585 56.100 -0.054 0.000 0.836 482 R CB 1.835 32.100 30.300 -0.058 0.000 1.151 482 R HN 0.734 nan 8.270 nan 0.000 0.450 483 V N 5.014 124.925 119.914 -0.006 0.000 2.350 483 V HA 0.222 4.342 4.120 -0.000 0.000 0.276 483 V C -0.306 175.796 176.094 0.013 0.000 1.028 483 V CA -0.624 61.680 62.300 0.007 0.000 0.860 483 V CB 1.353 33.186 31.823 0.017 0.000 0.990 483 V HN 0.804 nan 8.190 nan 0.000 0.453 484 D N 3.367 123.773 120.400 0.010 0.000 2.225 484 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 484 D C -0.504 175.803 176.300 0.010 0.000 1.052 484 D CA -0.143 53.864 54.000 0.010 0.000 0.909 484 D CB 2.626 43.428 40.800 0.005 0.000 1.186 484 D HN 0.255 nan 8.370 nan 0.000 0.431 485 V N 2.663 122.582 119.914 0.008 0.000 2.448 485 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 485 V C -0.073 176.016 176.094 -0.008 0.000 1.025 485 V CA -0.804 61.498 62.300 0.003 0.000 0.859 485 V CB 1.345 33.171 31.823 0.006 0.000 0.988 485 V HN 0.301 nan 8.190 nan 0.000 0.431 486 L N 5.317 126.534 121.223 -0.010 0.000 2.381 486 L HA 0.844 5.184 4.340 -0.000 0.000 0.274 486 L C -0.560 176.298 176.870 -0.019 0.000 0.988 486 L CA -0.711 54.118 54.840 -0.019 0.000 0.824 486 L CB 1.758 43.806 42.059 -0.019 0.000 1.263 486 L HN 0.692 nan 8.230 nan 0.000 0.410 487 I N 0.538 121.092 120.570 -0.027 0.000 2.418 487 I HA 0.612 4.782 4.170 -0.000 0.000 0.287 487 I C -0.263 175.837 176.117 -0.028 0.000 1.008 487 I CA -0.339 60.946 61.300 -0.024 0.000 1.104 487 I CB 1.806 39.791 38.000 -0.025 0.000 1.264 487 I HN 0.776 nan 8.210 nan 0.000 0.438 488 N N 4.479 123.166 118.700 -0.022 0.000 2.741 488 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 488 N C 0.960 176.449 175.510 -0.035 0.000 1.115 488 N CA 1.699 54.733 53.050 -0.028 0.000 0.724 488 N CB -1.098 37.370 38.487 -0.032 0.000 1.090 488 N HN 1.396 nan 8.380 nan 0.000 0.558 489 G N -1.264 107.518 108.800 -0.030 0.000 2.363 489 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.238 489 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.238 489 G C -0.218 174.661 174.900 -0.034 0.000 1.062 489 G CA 0.437 45.518 45.100 -0.032 0.000 0.629 489 G HN 0.448 nan 8.290 nan 0.000 0.514 490 E N 1.599 121.775 120.200 -0.039 0.000 2.415 490 E HA 0.152 4.502 4.350 -0.000 0.000 0.260 490 E C 0.815 177.391 176.600 -0.040 0.000 1.016 490 E CA -0.187 56.188 56.400 -0.043 0.000 0.924 490 E CB 0.653 30.321 29.700 -0.053 0.000 0.961 490 E HN 0.517 nan 8.360 nan 0.000 0.459 491 R N 2.739 123.218 120.500 -0.035 0.000 2.351 491 R HA 0.096 4.436 4.340 -0.000 0.000 0.318 491 R C -0.623 175.656 176.300 -0.035 0.000 1.055 491 R CA -0.173 55.910 56.100 -0.029 0.000 0.968 491 R CB 0.344 30.631 30.300 -0.021 0.000 0.974 491 R HN 0.182 nan 8.270 nan 0.000 0.439 492 V N 6.383 126.277 119.914 -0.035 0.000 2.247 492 V HA 0.025 4.145 4.120 -0.000 0.000 0.262 492 V C 0.504 176.588 176.094 -0.016 0.000 1.096 492 V CA -0.321 61.950 62.300 -0.047 0.000 0.895 492 V CB 0.860 32.642 31.823 -0.068 0.000 1.141 492 V HN 0.828 nan 8.190 nan 0.000 0.478 493 D N 4.169 124.568 120.400 -0.001 0.000 2.123 493 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 493 D C 2.154 178.494 176.300 0.066 0.000 0.992 493 D CA 1.798 55.816 54.000 0.031 0.000 0.833 493 D CB 0.125 40.948 40.800 0.037 0.000 0.954 493 D HN 0.626 nan 8.370 nan 0.000 0.455 494 A N -0.262 122.609 122.820 0.085 0.000 2.178 494 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 494 A C 1.864 179.535 177.584 0.144 0.000 1.157 494 A CA 0.754 52.894 52.037 0.171 0.000 0.689 494 A CB -0.166 18.997 19.000 0.272 0.000 0.787 494 A HN 0.178 nan 8.150 nan 0.000 0.465 495 L N -1.777 119.491 121.223 0.075 0.000 2.731 495 L HA 0.434 4.774 4.340 -0.000 0.000 0.240 495 L C 1.298 178.210 176.870 0.069 0.000 1.120 495 L CA 0.419 55.299 54.840 0.066 0.000 0.913 495 L CB -0.316 41.753 42.059 0.017 0.000 1.213 495 L HN 0.283 nan 8.230 nan 0.000 0.515 496 A N 0.443 123.302 122.820 0.065 0.000 2.483 496 A HA 0.450 4.770 4.320 -0.000 0.000 0.238 496 A C -0.388 177.242 177.584 0.077 0.000 1.070 496 A CA 0.054 52.125 52.037 0.057 0.000 0.770 496 A CB -0.170 18.857 19.000 0.044 0.000 1.008 496 A HN 0.265 nan 8.150 nan 0.000 0.497 497 L N -0.078 121.184 121.223 0.065 0.000 2.327 497 L HA 0.840 5.180 4.340 -0.000 0.000 0.258 497 L C -0.686 176.213 176.870 0.047 0.000 1.024 497 L CA -0.748 54.142 54.840 0.084 0.000 0.825 497 L CB 1.235 43.354 42.059 0.100 0.000 1.386 497 L HN 0.506 nan 8.230 nan 0.000 0.417 498 I N 0.867 121.473 120.570 0.060 0.000 2.378 498 I HA 0.686 4.856 4.170 -0.000 0.000 0.291 498 I C -0.057 176.091 176.117 0.053 0.000 0.992 498 I CA -0.146 61.127 61.300 -0.045 0.000 1.154 498 I CB 1.859 39.662 38.000 -0.328 0.000 1.315 498 I HN 0.860 nan 8.210 nan 0.000 0.448 499 T N 3.343 117.913 114.554 0.027 0.000 2.841 499 T HA 0.339 4.689 4.350 -0.000 0.000 0.296 499 T C -1.067 173.682 174.700 0.080 0.000 1.166 499 T CA -0.543 61.611 62.100 0.090 0.000 1.007 499 T CB 1.150 70.067 68.868 0.081 0.000 1.253 499 T HN 0.592 nan 8.240 nan 0.000 0.511 500 H N 1.712 120.800 119.070 0.032 0.000 2.652 500 H HA 0.442 4.998 4.556 -0.000 0.000 0.349 500 H C 1.656 176.987 175.328 0.004 0.000 1.099 500 H CA 0.167 56.226 56.048 0.017 0.000 1.417 500 H CB 0.788 30.565 29.762 0.025 0.000 1.457 500 H HN 0.575 nan 8.280 nan 0.000 0.568 501 R N 2.047 122.215 120.500 -0.553 0.000 2.143 501 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 501 R C 1.083 177.296 176.300 -0.146 0.000 1.126 501 R CA 2.269 58.170 56.100 -0.331 0.000 0.927 501 R CB -0.223 29.848 30.300 -0.383 0.000 0.860 501 R HN 0.784 nan 8.270 nan 0.000 0.433 502 D N -0.375 119.978 120.400 -0.078 0.000 2.271 502 D HA -0.142 4.498 4.640 -0.000 0.000 0.207 502 D C 0.643 176.986 176.300 0.072 0.000 0.983 502 D CA 1.308 55.350 54.000 0.069 0.000 0.878 502 D CB -0.252 40.663 40.800 0.191 0.000 0.920 502 D HN 0.251 nan 8.370 nan 0.000 0.479 503 N N -1.503 117.250 118.700 0.089 0.000 2.194 503 N HA 0.017 4.757 4.740 -0.000 0.000 0.231 503 N C 1.118 176.656 175.510 0.047 0.000 1.247 503 N CA 0.087 53.177 53.050 0.066 0.000 0.884 503 N CB 0.752 39.287 38.487 0.081 0.000 1.146 503 N HN -0.054 nan 8.380 nan 0.000 0.516 504 S N -0.168 115.546 115.700 0.023 0.000 2.382 504 S HA -0.251 4.219 4.470 -0.000 0.000 0.228 504 S C 1.949 176.556 174.600 0.013 0.000 1.027 504 S CA 1.052 59.259 58.200 0.011 0.000 0.991 504 S CB -0.241 62.946 63.200 -0.022 0.000 0.823 504 S HN 0.304 nan 8.310 nan 0.000 0.469 505 Q N 2.384 122.188 119.800 0.007 0.000 2.061 505 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 505 Q C 1.907 177.919 176.000 0.019 0.000 0.984 505 Q CA 2.256 58.065 55.803 0.010 0.000 0.846 505 Q CB -1.004 27.737 28.738 0.005 0.000 0.902 505 Q HN 0.735 nan 8.270 nan 0.000 0.421 506 N N -1.111 117.604 118.700 0.024 0.000 2.069 506 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 506 N C 1.692 177.223 175.510 0.035 0.000 1.031 506 N CA 1.302 54.370 53.050 0.030 0.000 0.852 506 N CB -0.076 38.432 38.487 0.035 0.000 1.018 506 N HN 0.075 nan 8.380 nan 0.000 0.423 507 R N 0.034 120.558 120.500 0.040 0.000 2.096 507 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 507 R C 2.070 178.394 176.300 0.040 0.000 1.127 507 R CA 1.453 57.581 56.100 0.046 0.000 0.968 507 R CB -1.016 29.317 30.300 0.054 0.000 0.861 507 R HN 0.344 nan 8.270 nan 0.000 0.440 508 G N 0.164 108.984 108.800 0.032 0.000 2.421 508 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 508 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 508 G C 1.534 176.450 174.900 0.027 0.000 1.171 508 G CA 0.492 45.609 45.100 0.028 0.000 0.775 508 G HN 0.206 nan 8.290 nan 0.000 0.543 509 R N 0.880 121.395 120.500 0.025 0.000 2.091 509 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 509 R C 2.416 178.732 176.300 0.027 0.000 1.136 509 R CA 1.786 57.900 56.100 0.023 0.000 0.959 509 R CB -0.532 29.781 30.300 0.021 0.000 0.856 509 R HN 0.517 nan 8.270 nan 0.000 0.437 510 E N 0.307 120.527 120.200 0.032 0.000 2.153 510 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 510 E C 2.111 178.735 176.600 0.040 0.000 0.988 510 E CA 0.919 57.341 56.400 0.037 0.000 0.811 510 E CB -0.086 29.640 29.700 0.044 0.000 0.746 510 E HN 0.279 nan 8.360 nan 0.000 0.466 511 L N 0.357 121.604 121.223 0.039 0.000 2.056 511 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 511 L C 2.298 179.188 176.870 0.032 0.000 1.078 511 L CA 0.724 55.588 54.840 0.040 0.000 0.749 511 L CB 0.010 42.093 42.059 0.040 0.000 0.901 511 L HN 0.044 nan 8.230 nan 0.000 0.433 512 V N -0.477 119.453 119.914 0.027 0.000 2.358 512 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 512 V C 2.476 178.584 176.094 0.022 0.000 1.047 512 V CA 1.518 63.831 62.300 0.021 0.000 1.035 512 V CB -0.513 31.321 31.823 0.017 0.000 0.658 512 V HN 0.433 nan 8.190 nan 0.000 0.452 513 E N 0.320 120.535 120.200 0.025 0.000 2.072 513 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 513 E C 2.166 178.785 176.600 0.032 0.000 0.985 513 E CA 1.263 57.678 56.400 0.026 0.000 0.801 513 E CB -0.317 29.399 29.700 0.026 0.000 0.750 513 E HN 0.621 nan 8.360 nan 0.000 0.452 514 K N 0.247 120.669 120.400 0.037 0.000 2.032 514 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 514 K C 1.941 178.564 176.600 0.038 0.000 1.048 514 K CA 1.404 57.717 56.287 0.042 0.000 0.927 514 K CB 0.020 32.549 32.500 0.048 0.000 0.712 514 K HN -0.014 nan 8.250 nan 0.000 0.441 515 M N 1.201 120.820 119.600 0.030 0.000 2.296 515 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 515 M C 1.710 178.023 176.300 0.022 0.000 1.064 515 M CA 1.392 56.705 55.300 0.022 0.000 1.109 515 M CB -0.537 32.071 32.600 0.012 0.000 1.396 515 M HN 0.129 nan 8.290 nan 0.000 0.430 516 K N 0.162 120.577 120.400 0.024 0.000 2.097 516 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 516 K C 1.425 178.044 176.600 0.032 0.000 1.049 516 K CA 1.119 57.420 56.287 0.023 0.000 0.933 516 K CB -0.164 32.347 32.500 0.019 0.000 0.717 516 K HN 0.301 nan 8.250 nan 0.000 0.442 517 D N 0.942 121.366 120.400 0.041 0.000 2.144 517 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 517 D C 1.859 178.192 176.300 0.055 0.000 0.978 517 D CA 0.887 54.922 54.000 0.059 0.000 0.833 517 D CB 0.042 40.884 40.800 0.070 0.000 0.961 517 D HN 0.144 nan 8.370 nan 0.000 0.470 518 L N -0.121 121.128 121.223 0.042 0.000 2.375 518 L HA 0.140 4.480 4.340 -0.000 0.000 0.215 518 L C 0.624 177.511 176.870 0.029 0.000 1.108 518 L CA 0.308 55.170 54.840 0.036 0.000 0.830 518 L CB 0.300 42.377 42.059 0.031 0.000 0.959 518 L HN -0.143 nan 8.230 nan 0.000 0.457 519 I N 1.825 122.411 120.570 0.026 0.000 2.390 519 I HA 0.253 4.423 4.170 -0.000 0.000 0.283 519 I C -2.108 174.024 176.117 0.025 0.000 1.016 519 I CA -1.852 59.461 61.300 0.022 0.000 1.151 519 I CB 1.473 39.482 38.000 0.015 0.000 1.293 519 I HN -0.167 nan 8.210 nan 0.000 0.458 520 P HA 0.213 nan 4.420 nan 0.000 0.276 520 P C -0.735 176.574 177.300 0.016 0.000 1.261 520 P CA -0.639 62.475 63.100 0.024 0.000 0.800 520 P CB 0.656 32.371 31.700 0.025 0.000 1.066 521 R N 1.237 121.743 120.500 0.010 0.000 2.449 521 R HA 0.126 4.466 4.340 -0.000 0.000 0.296 521 R C 0.663 176.958 176.300 -0.008 0.000 1.047 521 R CA 0.377 56.479 56.100 0.003 0.000 1.018 521 R CB 0.114 30.413 30.300 -0.002 0.000 0.962 521 R HN 0.583 nan 8.270 nan 0.000 0.428 522 Q N 0.852 120.643 119.800 -0.016 0.000 3.348 522 Q HA 0.123 4.463 4.340 -0.000 0.000 0.330 522 Q C 0.812 176.746 176.000 -0.109 0.000 0.928 522 Q CA -0.905 54.871 55.803 -0.045 0.000 0.823 522 Q CB 0.404 29.130 28.738 -0.021 0.000 1.774 522 Q HN 0.504 nan 8.270 nan 0.000 0.433 523 Q N -0.367 119.310 119.800 -0.206 0.000 2.124 523 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 523 Q C -0.558 175.049 176.000 -0.656 0.000 0.977 523 Q CA 1.380 56.888 55.803 -0.491 0.000 0.850 523 Q CB 0.249 28.565 28.738 -0.704 0.000 0.901 523 Q HN 0.348 nan 8.270 nan 0.000 0.429 524 F N 0.522 120.471 119.950 -0.001 0.000 2.577 524 F HA 0.293 4.820 4.527 -0.000 0.000 0.318 524 F C -0.210 175.588 175.800 -0.004 0.000 1.065 524 F CA -1.590 56.408 58.000 -0.003 0.000 0.929 524 F CB 1.183 40.181 39.000 -0.004 0.000 1.237 524 F HN -0.158 nan 8.300 nan 0.000 0.468 525 D N 2.028 122.551 120.400 0.204 0.000 2.472 525 D HA 0.216 4.856 4.640 -0.000 0.000 0.237 525 D C -0.360 175.999 176.300 0.098 0.000 1.141 525 D CA 0.897 54.962 54.000 0.109 0.000 0.875 525 D CB 0.772 41.619 40.800 0.078 0.000 1.192 525 D HN 0.281 nan 8.370 nan 0.000 0.450 526 I N 1.510 122.117 120.570 0.061 0.000 2.448 526 I HA 0.316 4.486 4.170 -0.000 0.000 0.281 526 I C -0.239 175.891 176.117 0.022 0.000 1.027 526 I CA -0.725 60.600 61.300 0.042 0.000 1.111 526 I CB 1.707 39.732 38.000 0.042 0.000 1.236 526 I HN 0.271 nan 8.210 nan 0.000 0.452 527 A N 8.020 130.847 122.820 0.012 0.000 2.269 527 A HA 0.728 5.048 4.320 -0.000 0.000 0.302 527 A C -0.362 177.222 177.584 0.000 0.000 1.266 527 A CA -0.200 51.840 52.037 0.005 0.000 0.894 527 A CB -0.000 19.000 19.000 0.000 0.000 1.147 527 A HN 0.675 nan 8.150 nan 0.000 0.537 528 I N 2.577 123.149 120.570 0.002 0.000 2.359 528 I HA 0.390 4.560 4.170 -0.000 0.000 0.294 528 I C 0.168 176.286 176.117 0.002 0.000 0.987 528 I CA -0.210 61.090 61.300 0.000 0.000 1.225 528 I CB 1.697 39.699 38.000 0.004 0.000 1.366 528 I HN 0.839 nan 8.210 nan 0.000 0.466 529 Q N 5.438 125.238 119.800 -0.000 0.000 2.345 529 Q HA 0.849 5.189 4.340 -0.000 0.000 0.275 529 Q C -1.619 174.385 176.000 0.006 0.000 1.063 529 Q CA -1.121 54.683 55.803 0.003 0.000 0.819 529 Q CB 2.382 31.120 28.738 0.000 0.000 1.356 529 Q HN 0.645 nan 8.270 nan 0.000 0.418 530 A N 1.487 124.314 122.820 0.011 0.000 2.292 530 A HA 0.915 5.235 4.320 -0.000 0.000 0.319 530 A C -0.846 176.748 177.584 0.017 0.000 1.206 530 A CA -0.065 51.980 52.037 0.015 0.000 0.835 530 A CB 1.225 20.236 19.000 0.019 0.000 1.164 530 A HN 0.930 nan 8.150 nan 0.000 0.505 531 A N 1.893 124.724 122.820 0.017 0.000 2.515 531 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 531 A C -1.004 176.597 177.584 0.027 0.000 1.094 531 A CA -0.480 51.572 52.037 0.026 0.000 0.718 531 A CB 1.011 20.023 19.000 0.020 0.000 1.307 531 A HN 0.765 nan 8.150 nan 0.000 0.408 532 I N 2.133 122.729 120.570 0.044 0.000 2.420 532 I HA 0.539 4.708 4.170 -0.000 0.000 0.282 532 I C 0.974 177.137 176.117 0.077 0.000 1.019 532 I CA 0.452 61.773 61.300 0.036 0.000 1.130 532 I CB 1.008 39.013 38.000 0.008 0.000 1.262 532 I HN 1.286 nan 8.210 nan 0.000 0.454 533 G N 4.848 113.680 108.800 0.053 0.000 2.536 533 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.280 533 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.280 533 G C 0.671 175.596 174.900 0.042 0.000 1.152 533 G CA 0.499 45.638 45.100 0.065 0.000 0.970 533 G HN 0.460 nan 8.290 nan 0.000 0.549 534 T N 0.994 115.563 114.554 0.024 0.000 3.067 534 T HA 0.196 4.546 4.350 -0.000 0.000 0.261 534 T C 0.791 175.386 174.700 -0.175 0.000 1.110 534 T CA 1.588 63.615 62.100 -0.122 0.000 1.113 534 T CB -0.087 68.633 68.868 -0.247 0.000 0.917 534 T HN 0.644 nan 8.240 nan 0.000 0.499 535 H N 0.659 119.720 119.070 -0.014 0.000 2.723 535 H HA 0.408 4.964 4.556 -0.000 0.000 0.294 535 H C -0.127 175.194 175.328 -0.011 0.000 1.079 535 H CA -0.643 55.397 56.048 -0.013 0.000 1.411 535 H CB 0.021 29.775 29.762 -0.014 0.000 1.439 535 H HN 0.201 nan 8.280 nan 0.000 0.474 536 I N 4.990 125.602 120.570 0.069 0.000 2.452 536 I HA -0.038 4.132 4.170 -0.000 0.000 0.287 536 I C 1.279 177.426 176.117 0.050 0.000 1.079 536 I CA 0.325 61.650 61.300 0.042 0.000 1.387 536 I CB 0.483 38.492 38.000 0.015 0.000 1.404 536 I HN 0.735 nan 8.210 nan 0.000 0.522 537 I N 3.610 124.203 120.570 0.038 0.000 4.035 537 I HA 0.563 4.732 4.170 -0.000 0.000 0.321 537 I C 0.678 176.808 176.117 0.021 0.000 1.289 537 I CA 0.052 61.369 61.300 0.029 0.000 1.236 537 I CB 0.422 38.435 38.000 0.022 0.000 1.076 537 I HN 0.472 nan 8.210 nan 0.000 0.418 538 A N 1.382 124.213 122.820 0.019 0.000 2.480 538 A HA 0.727 5.047 4.320 -0.000 0.000 0.289 538 A C -1.003 176.588 177.584 0.013 0.000 1.044 538 A CA -0.557 51.490 52.037 0.016 0.000 0.761 538 A CB 1.325 20.335 19.000 0.017 0.000 1.289 538 A HN 0.247 nan 8.150 nan 0.000 0.401 539 R N 1.117 121.623 120.500 0.011 0.000 2.686 539 R HA 0.813 5.153 4.340 -0.000 0.000 0.283 539 R C -1.197 175.108 176.300 0.008 0.000 0.978 539 R CA -0.198 55.907 56.100 0.008 0.000 0.897 539 R CB 2.168 32.472 30.300 0.006 0.000 1.192 539 R HN 0.861 nan 8.270 nan 0.000 0.457 540 S N 0.722 116.426 115.700 0.008 0.000 2.541 540 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 540 S C -1.591 173.014 174.600 0.008 0.000 1.133 540 S CA -0.396 57.809 58.200 0.008 0.000 0.876 540 S CB 2.020 65.226 63.200 0.009 0.000 1.105 540 S HN 0.546 nan 8.310 nan 0.000 0.470 541 T N 2.861 117.421 114.554 0.009 0.000 2.815 541 T HA 0.499 4.849 4.350 -0.000 0.000 0.289 541 T C -0.916 173.792 174.700 0.013 0.000 1.000 541 T CA -0.431 61.676 62.100 0.012 0.000 0.958 541 T CB 0.478 69.353 68.868 0.012 0.000 0.944 541 T HN 0.477 nan 8.240 nan 0.000 0.442 542 V N 7.576 127.499 119.914 0.016 0.000 2.390 542 V HA 0.217 4.337 4.120 -0.000 0.000 0.260 542 V C 0.865 176.971 176.094 0.020 0.000 1.043 542 V CA -0.553 61.757 62.300 0.016 0.000 1.047 542 V CB -0.378 31.456 31.823 0.019 0.000 1.066 542 V HN 0.718 nan 8.190 nan 0.000 0.481 543 K N 4.772 125.180 120.400 0.014 0.000 2.485 543 K HA 0.050 4.369 4.320 -0.000 0.000 0.277 543 K C 0.635 177.242 176.600 0.011 0.000 0.990 543 K CA 0.205 56.500 56.287 0.014 0.000 0.994 543 K CB 0.543 33.047 32.500 0.007 0.000 0.906 543 K HN 0.906 nan 8.250 nan 0.000 0.488 544 Q N 1.334 121.142 119.800 0.014 0.000 2.394 544 Q HA 0.156 4.496 4.340 -0.000 0.000 0.248 544 Q C -0.234 175.754 176.000 -0.020 0.000 0.992 544 Q CA -0.820 54.981 55.803 -0.003 0.000 0.888 544 Q CB 0.421 29.159 28.738 -0.001 0.000 1.257 544 Q HN 0.130 nan 8.270 nan 0.000 0.462 545 L N 2.171 123.370 121.223 -0.040 0.000 2.483 545 L HA 0.126 4.466 4.340 -0.000 0.000 0.276 545 L C 0.897 177.741 176.870 -0.044 0.000 1.213 545 L CA 0.698 55.514 54.840 -0.040 0.000 0.843 545 L CB 0.102 42.130 42.059 -0.052 0.000 1.107 545 L HN 0.705 nan 8.230 nan 0.000 0.487 546 R N 1.815 122.296 120.500 -0.031 0.000 2.863 546 R HA 0.119 4.459 4.340 -0.000 0.000 0.273 546 R C 0.058 176.335 176.300 -0.039 0.000 1.057 546 R CA -0.332 55.751 56.100 -0.029 0.000 1.191 546 R CB 0.389 30.677 30.300 -0.019 0.000 1.104 546 R HN 0.587 nan 8.270 nan 0.000 0.519 547 K N 2.232 122.611 120.400 -0.035 0.000 2.382 547 K HA -0.042 4.278 4.320 -0.000 0.000 0.275 547 K C -0.377 176.205 176.600 -0.031 0.000 1.009 547 K CA -0.294 55.970 56.287 -0.038 0.000 0.970 547 K CB 0.517 32.999 32.500 -0.030 0.000 0.934 547 K HN 0.644 nan 8.250 nan 0.000 0.479 548 N N -1.193 117.487 118.700 -0.033 0.000 2.965 548 N HA -0.148 4.592 4.740 -0.000 0.000 0.232 548 N C -0.650 174.847 175.510 -0.023 0.000 0.913 548 N CA 1.047 54.082 53.050 -0.025 0.000 0.981 548 N CB -1.375 37.101 38.487 -0.018 0.000 1.077 548 N HN 0.432 nan 8.380 nan 0.000 0.589 549 V N 2.225 122.123 119.914 -0.027 0.000 2.509 549 V HA 0.378 4.497 4.120 -0.000 0.000 0.284 549 V C 1.047 177.126 176.094 -0.025 0.000 1.047 549 V CA -0.573 61.713 62.300 -0.022 0.000 0.952 549 V CB 1.657 33.468 31.823 -0.021 0.000 0.988 549 V HN 0.070 nan 8.190 nan 0.000 0.469 550 L N 3.563 124.776 121.223 -0.017 0.000 2.375 550 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 550 L C 0.784 177.646 176.870 -0.012 0.000 1.107 550 L CA -0.334 54.497 54.840 -0.015 0.000 0.806 550 L CB 0.842 42.897 42.059 -0.007 0.000 1.146 550 L HN 0.750 nan 8.230 nan 0.000 0.447 551 A N 3.308 126.120 122.820 -0.013 0.000 2.440 551 A HA 0.424 4.744 4.320 -0.000 0.000 0.251 551 A C -0.184 177.404 177.584 0.007 0.000 1.089 551 A CA -0.065 51.969 52.037 -0.005 0.000 0.779 551 A CB 0.134 19.131 19.000 -0.006 0.000 1.022 551 A HN 0.776 nan 8.150 nan 0.000 0.492 552 K N 0.377 120.786 120.400 0.015 0.000 2.395 552 K HA 0.699 5.019 4.320 -0.000 0.000 0.245 552 K C -1.472 175.153 176.600 0.042 0.000 1.017 552 K CA -0.595 55.708 56.287 0.027 0.000 0.852 552 K CB 2.263 34.781 32.500 0.029 0.000 1.311 552 K HN 0.640 nan 8.250 nan 0.000 0.452 553 C N 1.153 120.486 119.300 0.056 0.000 2.783 553 C HA 0.331 4.791 4.460 -0.000 0.000 0.312 553 C C -1.012 174.052 174.990 0.124 0.000 1.182 553 C CA -0.942 58.124 59.018 0.080 0.000 1.432 553 C CB 0.688 28.459 27.740 0.053 0.000 1.933 553 C HN 0.795 nan 8.230 nan 0.000 0.473 554 Y N 1.960 122.263 120.300 0.005 0.000 2.379 554 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 554 Y C 0.736 176.640 175.900 0.006 0.000 1.238 554 Y CA 0.890 58.993 58.100 0.005 0.000 1.405 554 Y CB 0.506 38.969 38.460 0.006 0.000 1.310 554 Y HN 0.834 nan 8.280 nan 0.000 0.569 555 G N 0.000 108.405 108.800 -0.659 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 44.772 45.100 -0.546 0.000 0.502 555 G HN 0.000 nan 8.290 nan 0.000 0.925