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 1m0p_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.841 54.840 0.001 0.000 0.813 3 L CB 0.000 42.068 42.059 0.015 0.000 0.961 4 N N 0.365 119.085 118.700 0.033 0.000 2.515 4 N HA -0.023 4.718 4.740 0.001 0.000 0.185 4 N C 0.126 175.774 175.510 0.231 0.000 1.109 4 N CA 0.548 53.650 53.050 0.087 0.000 0.903 4 N CB 0.271 38.811 38.487 0.089 0.000 0.969 4 N HN 0.472 nan 8.380 nan 0.000 0.450 5 D N 0.424 120.910 120.400 0.144 0.000 2.355 5 D HA -0.085 4.555 4.640 0.001 0.000 0.218 5 D C 0.195 176.659 176.300 0.272 0.000 1.004 5 D CA 0.186 54.294 54.000 0.180 0.000 0.880 5 D CB -0.205 40.636 40.800 0.069 0.000 0.911 5 D HN 0.182 nan 8.370 nan 0.000 0.528 6 D N 1.337 121.855 120.400 0.196 0.000 3.630 6 D HA -0.147 4.494 4.640 0.001 0.000 0.263 6 D C 1.315 177.800 176.300 0.309 0.000 1.483 6 D CA 0.007 54.103 54.000 0.160 0.000 1.036 6 D CB 0.433 41.247 40.800 0.023 0.000 1.204 6 D HN 0.072 nan 8.370 nan 0.000 0.644 7 A N 3.718 126.680 122.820 0.236 0.000 1.892 7 A HA -0.236 4.084 4.320 0.001 0.000 0.218 7 A C 2.293 179.985 177.584 0.181 0.000 1.188 7 A CA 2.019 54.190 52.037 0.223 0.000 0.631 7 A CB -0.553 18.521 19.000 0.123 0.000 0.822 7 A HN 0.618 nan 8.150 nan 0.000 0.447 8 T N -0.936 113.689 114.554 0.118 0.000 2.665 8 T HA -0.197 4.154 4.350 0.001 0.000 0.268 8 T C 1.555 176.281 174.700 0.042 0.000 1.035 8 T CA 1.753 63.887 62.100 0.057 0.000 1.151 8 T CB -0.461 68.439 68.868 0.052 0.000 0.862 8 T HN 0.502 nan 8.240 nan 0.000 0.438 9 F N 0.323 120.208 119.950 -0.107 0.000 2.025 9 F HA -0.183 4.344 4.527 0.001 0.000 0.297 9 F C 1.946 177.565 175.800 -0.301 0.000 1.132 9 F CA 1.599 59.424 58.000 -0.292 0.000 1.191 9 F CB -0.545 38.156 39.000 -0.497 0.000 0.963 9 F HN 0.242 nan 8.300 nan 0.000 0.481 10 W N 0.501 121.953 121.300 0.252 0.000 2.350 10 W HA -0.099 4.562 4.660 0.001 0.000 0.289 10 W C 2.729 179.200 176.519 -0.080 0.000 1.215 10 W CA 1.279 58.673 57.345 0.080 0.000 1.236 10 W CB -0.582 28.974 29.460 0.160 0.000 1.130 10 W HN -0.036 nan 8.180 nan 0.000 0.541 11 R N 0.764 121.305 120.500 0.068 0.000 2.088 11 R HA -0.193 4.147 4.340 0.001 0.000 0.232 11 R C 1.988 178.078 176.300 -0.350 0.000 1.136 11 R CA 1.980 57.974 56.100 -0.177 0.000 0.926 11 R CB -0.707 29.445 30.300 -0.247 0.000 0.837 11 R HN 0.118 nan 8.270 nan 0.000 0.429 12 N N 0.543 119.074 118.700 -0.282 0.000 2.094 12 N HA -0.199 4.542 4.740 0.001 0.000 0.191 12 N C 1.608 177.065 175.510 -0.088 0.000 1.023 12 N CA 1.620 54.602 53.050 -0.114 0.000 0.857 12 N CB -0.517 37.933 38.487 -0.061 0.000 1.013 12 N HN 0.330 nan 8.380 nan 0.000 0.426 13 A N 1.299 123.970 122.820 -0.249 0.000 1.908 13 A HA -0.140 4.181 4.320 0.001 0.000 0.218 13 A C 2.300 179.878 177.584 -0.011 0.000 1.181 13 A CA 1.357 53.245 52.037 -0.249 0.000 0.627 13 A CB -0.393 18.371 19.000 -0.393 0.000 0.818 13 A HN 0.262 nan 8.150 nan 0.000 0.445 14 R N -1.768 118.754 120.500 0.035 0.000 2.073 14 R HA -0.036 4.305 4.340 0.001 0.000 0.229 14 R C 2.186 178.528 176.300 0.071 0.000 1.120 14 R CA 1.286 57.442 56.100 0.093 0.000 0.967 14 R CB -0.483 29.875 30.300 0.097 0.000 0.862 14 R HN 0.757 nan 8.270 nan 0.000 0.436 15 H N -0.735 118.210 119.070 -0.209 0.000 2.290 15 H HA -0.093 4.463 4.556 0.001 0.000 0.298 15 H C 0.852 175.841 175.328 -0.565 0.000 1.087 15 H CA 1.027 56.766 56.048 -0.515 0.000 1.291 15 H CB 0.228 29.410 29.762 -0.966 0.000 1.369 15 H HN 0.340 nan 8.280 nan 0.000 0.492 16 H N -0.876 118.277 119.070 0.138 0.000 2.512 16 H HA 0.263 4.820 4.556 0.001 0.000 0.276 16 H C -0.312 175.054 175.328 0.063 0.000 1.126 16 H CA 0.020 56.111 56.048 0.071 0.000 1.060 16 H CB 0.628 30.416 29.762 0.043 0.000 1.646 16 H HN 0.144 nan 8.280 nan 0.000 0.571 17 L N 1.496 122.824 121.223 0.174 0.000 2.322 17 L HA 0.336 4.677 4.340 0.001 0.000 0.281 17 L C 0.163 177.173 176.870 0.233 0.000 1.014 17 L CA -0.961 54.002 54.840 0.206 0.000 0.815 17 L CB 2.618 44.811 42.059 0.223 0.000 1.247 17 L HN -0.149 nan 8.230 nan 0.000 0.421 18 V N 3.625 123.689 119.914 0.250 0.000 2.686 18 V HA 0.245 4.366 4.120 0.001 0.000 0.295 18 V C 0.402 176.697 176.094 0.335 0.000 1.055 18 V CA -0.318 62.126 62.300 0.240 0.000 1.050 18 V CB 1.268 33.219 31.823 0.214 0.000 0.984 18 V HN 0.677 nan 8.190 nan 0.000 0.482 19 R N 3.126 123.726 120.500 0.166 0.000 2.368 19 R HA 0.441 4.782 4.340 0.001 0.000 0.302 19 R C -0.615 175.684 176.300 -0.002 0.000 1.002 19 R CA -0.325 55.731 56.100 -0.073 0.000 0.929 19 R CB 0.907 31.112 30.300 -0.157 0.000 1.073 19 R HN 0.856 nan 8.270 nan 0.000 0.464 20 Y N -1.129 119.137 120.300 -0.057 0.000 2.809 20 Y HA 0.541 5.092 4.550 0.001 0.000 0.251 20 Y C 0.040 175.917 175.900 -0.038 0.000 1.136 20 Y CA -0.665 57.427 58.100 -0.014 0.000 1.185 20 Y CB 0.870 39.355 38.460 0.041 0.000 1.260 20 Y HN 0.708 nan 8.280 nan 0.000 0.576 21 G N -0.384 108.247 108.800 -0.281 0.000 2.462 21 G HA2 0.477 4.437 3.960 0.001 0.000 0.424 21 G HA3 0.477 4.437 3.960 0.001 0.000 0.424 21 G C -0.076 174.629 174.900 -0.324 0.000 1.573 21 G CA -0.259 44.723 45.100 -0.198 0.000 0.913 21 G HN 1.375 nan 8.290 nan 0.000 0.672 22 G N -0.213 108.448 108.800 -0.231 0.000 2.593 22 G HA2 0.416 4.376 3.960 0.001 0.000 0.237 22 G HA3 0.416 4.376 3.960 0.001 0.000 0.237 22 G C 0.484 175.204 174.900 -0.299 0.000 1.312 22 G CA 0.937 45.903 45.100 -0.223 0.000 0.896 22 G HN 2.824 nan 8.290 nan 0.000 0.574 23 T N -1.518 112.891 114.554 -0.241 0.000 2.876 23 T HA 0.666 5.017 4.350 0.001 0.000 0.289 23 T C -0.683 173.939 174.700 -0.129 0.000 1.014 23 T CA -0.546 61.436 62.100 -0.196 0.000 0.986 23 T CB 1.251 70.070 68.868 -0.081 0.000 1.021 23 T HN 0.912 nan 8.240 nan 0.000 0.458 24 F N 2.444 122.395 119.950 0.002 0.000 2.410 24 F HA 0.467 4.995 4.527 0.001 0.000 0.348 24 F C 0.961 176.827 175.800 0.111 0.000 1.106 24 F CA -0.996 57.053 58.000 0.082 0.000 1.163 24 F CB 0.975 40.081 39.000 0.177 0.000 1.129 24 F HN 0.620 nan 8.300 nan 0.000 0.516 25 E N 5.579 126.004 120.200 0.375 0.000 2.480 25 E HA 0.046 4.397 4.350 0.001 0.000 0.258 25 E C -2.095 174.679 176.600 0.290 0.000 0.984 25 E CA -1.583 54.967 56.400 0.250 0.000 0.930 25 E CB 0.324 30.149 29.700 0.209 0.000 0.936 25 E HN 0.112 nan 8.360 nan 0.000 0.466 26 P HA 0.021 nan 4.420 nan 0.000 0.241 26 P C -0.914 176.475 177.300 0.149 0.000 1.760 26 P CA 0.363 63.464 63.100 0.002 0.000 1.081 26 P CB -0.607 31.029 31.700 -0.105 0.000 1.975 27 M N -0.038 119.809 119.600 0.412 0.000 3.084 27 M HA 0.541 5.021 4.480 0.001 0.000 0.273 27 M C -1.389 175.074 176.300 0.273 0.000 1.242 27 M CA -1.222 54.257 55.300 0.299 0.000 0.819 27 M CB 1.712 34.400 32.600 0.146 0.000 1.625 27 M HN -0.299 nan 8.290 nan 0.000 0.493 28 I N 2.751 123.338 120.570 0.028 0.000 2.521 28 I HA 0.332 4.503 4.170 0.001 0.000 0.277 28 I C -0.737 175.312 176.117 -0.113 0.000 1.054 28 I CA -0.741 60.427 61.300 -0.220 0.000 1.117 28 I CB 1.565 39.169 38.000 -0.660 0.000 1.217 28 I HN 0.525 nan 8.210 nan 0.000 0.469 29 I N 5.260 125.803 120.570 -0.045 0.000 2.578 29 I HA 0.004 4.175 4.170 0.001 0.000 0.286 29 I C 1.175 177.282 176.117 -0.017 0.000 1.126 29 I CA 0.609 61.904 61.300 -0.009 0.000 1.380 29 I CB 0.489 38.491 38.000 0.004 0.000 1.408 29 I HN 0.663 nan 8.210 nan 0.000 0.532 30 E N 5.699 125.902 120.200 0.006 0.000 2.216 30 E HA 0.021 4.372 4.350 0.001 0.000 0.192 30 E C 0.051 176.670 176.600 0.032 0.000 0.973 30 E CA 0.753 57.153 56.400 0.001 0.000 0.851 30 E CB 0.473 30.171 29.700 -0.004 0.000 0.804 30 E HN 0.727 nan 8.360 nan 0.000 0.477 31 R N -2.074 118.482 120.500 0.093 0.000 2.741 31 R HA 0.810 5.150 4.340 0.001 0.000 0.274 31 R C -1.626 174.806 176.300 0.220 0.000 1.029 31 R CA -0.684 55.487 56.100 0.118 0.000 0.880 31 R CB 0.948 31.281 30.300 0.055 0.000 1.264 31 R HN -0.054 nan 8.270 nan 0.000 0.465 32 A N 0.653 123.582 122.820 0.181 0.000 2.465 32 A HA 0.760 5.081 4.320 0.001 0.000 0.292 32 A C -1.607 176.140 177.584 0.272 0.000 1.041 32 A CA -0.663 51.452 52.037 0.130 0.000 0.718 32 A CB 1.790 20.579 19.000 -0.351 0.000 1.266 32 A HN 0.547 nan 8.150 nan 0.000 0.403 33 K N 1.409 122.059 120.400 0.417 0.000 2.498 33 K HA 0.725 5.046 4.320 0.001 0.000 0.254 33 K C 0.837 177.656 176.600 0.364 0.000 0.933 33 K CA 0.738 57.230 56.287 0.342 0.000 0.806 33 K CB 1.564 34.212 32.500 0.247 0.000 1.301 33 K HN 2.214 nan 8.250 nan 0.000 0.432 34 G N 1.921 110.877 108.800 0.261 0.000 2.685 34 G HA2 -0.331 3.629 3.960 0.001 0.000 0.329 34 G HA3 -0.331 3.629 3.960 0.001 0.000 0.329 34 G C 0.233 175.257 174.900 0.208 0.000 1.271 34 G CA 0.755 45.977 45.100 0.205 0.000 1.003 34 G HN 0.723 nan 8.290 nan 0.000 0.549 35 S N 0.685 116.468 115.700 0.138 0.000 2.679 35 S HA 0.570 5.041 4.470 0.001 0.000 0.233 35 S C -0.278 174.034 174.600 -0.480 0.000 0.951 35 S CA 0.239 58.363 58.200 -0.127 0.000 0.973 35 S CB -0.096 62.974 63.200 -0.218 0.000 0.778 35 S HN 0.401 nan 8.310 nan 0.000 0.477 36 F N 1.046 121.035 119.950 0.064 0.000 2.576 36 F HA 0.606 5.134 4.527 0.001 0.000 0.313 36 F C -0.112 175.425 175.800 -0.439 0.000 1.078 36 F CA -1.313 56.546 58.000 -0.235 0.000 0.921 36 F CB 1.688 40.432 39.000 -0.428 0.000 1.232 36 F HN -0.070 nan 8.300 nan 0.000 0.459 37 V N -0.364 119.301 119.914 -0.415 0.000 2.919 37 V HA 0.721 4.841 4.120 0.001 0.000 0.316 37 V C -1.802 173.906 176.094 -0.644 0.000 1.077 37 V CA -1.120 60.927 62.300 -0.422 0.000 0.977 37 V CB 2.026 33.693 31.823 -0.261 0.000 1.039 37 V HN 0.656 nan 8.190 nan 0.000 0.441 38 Y N 0.996 121.296 120.300 -0.001 0.000 2.386 38 Y HA 0.561 5.112 4.550 0.001 0.000 0.334 38 Y C -0.003 175.884 175.900 -0.022 0.000 1.002 38 Y CA -0.995 57.102 58.100 -0.005 0.000 1.068 38 Y CB 1.339 39.787 38.460 -0.019 0.000 1.203 38 Y HN 0.981 nan 8.280 nan 0.000 0.443 39 D N 1.329 121.787 120.400 0.097 0.000 2.314 39 D HA 0.183 4.824 4.640 0.001 0.000 0.252 39 D C 1.202 177.515 176.300 0.021 0.000 1.295 39 D CA 0.017 54.042 54.000 0.042 0.000 0.995 39 D CB 0.516 41.335 40.800 0.032 0.000 1.125 39 D HN 0.548 nan 8.370 nan 0.000 0.537 40 A N -0.708 122.098 122.820 -0.025 0.000 2.119 40 A HA -0.099 4.222 4.320 0.001 0.000 0.217 40 A C 1.457 179.028 177.584 -0.023 0.000 1.153 40 A CA 1.100 53.106 52.037 -0.053 0.000 0.692 40 A CB -0.438 18.497 19.000 -0.108 0.000 0.799 40 A HN 0.510 nan 8.150 nan 0.000 0.458 41 D N -1.447 118.953 120.400 -0.001 0.000 2.305 41 D HA 0.203 4.844 4.640 0.001 0.000 0.206 41 D C 1.438 177.744 176.300 0.010 0.000 0.974 41 D CA 1.303 55.304 54.000 0.002 0.000 0.871 41 D CB 0.262 41.066 40.800 0.006 0.000 0.947 41 D HN 0.570 nan 8.370 nan 0.000 0.516 42 G N 1.454 110.276 108.800 0.037 0.000 2.168 42 G HA2 -0.257 3.704 3.960 0.001 0.000 0.197 42 G HA3 -0.257 3.704 3.960 0.001 0.000 0.197 42 G C 0.379 175.349 174.900 0.117 0.000 0.997 42 G CA -0.145 44.989 45.100 0.056 0.000 0.658 42 G HN 0.336 nan 8.290 nan 0.000 0.513 43 R N 0.873 121.428 120.500 0.092 0.000 2.489 43 R HA 0.582 4.922 4.340 0.001 0.000 0.287 43 R C 0.663 177.023 176.300 0.100 0.000 1.053 43 R CA 0.516 56.658 56.100 0.070 0.000 1.036 43 R CB 0.339 30.656 30.300 0.029 0.000 0.966 43 R HN 0.624 nan 8.270 nan 0.000 0.432 44 A N 6.027 128.878 122.820 0.052 0.000 2.301 44 A HA 0.433 4.753 4.320 0.001 0.000 0.298 44 A C -0.312 177.239 177.584 -0.054 0.000 1.185 44 A CA -0.645 51.300 52.037 -0.154 0.000 0.830 44 A CB 0.454 19.288 19.000 -0.278 0.000 1.112 44 A HN 0.773 nan 8.150 nan 0.000 0.508 45 I N 2.858 123.408 120.570 -0.033 0.000 2.389 45 I HA 0.203 4.373 4.170 0.001 0.000 0.288 45 I C -0.456 175.731 176.117 0.117 0.000 0.999 45 I CA -0.798 60.539 61.300 0.062 0.000 1.129 45 I CB 1.734 39.712 38.000 -0.038 0.000 1.288 45 I HN 0.614 nan 8.210 nan 0.000 0.444 46 L N 6.423 127.673 121.223 0.044 0.000 2.433 46 L HA 0.146 4.486 4.340 0.001 0.000 0.275 46 L C 0.247 176.950 176.870 -0.279 0.000 1.128 46 L CA 0.520 55.116 54.840 -0.407 0.000 0.875 46 L CB 0.107 41.988 42.059 -0.297 0.000 1.171 46 L HN 0.473 nan 8.230 nan 0.000 0.463 47 D N 4.746 124.981 120.400 -0.275 0.000 2.483 47 D HA -0.003 4.637 4.640 0.001 0.000 0.220 47 D C 0.395 176.784 176.300 0.148 0.000 1.173 47 D CA -0.039 53.946 54.000 -0.025 0.000 0.964 47 D CB 0.052 40.890 40.800 0.063 0.000 1.046 47 D HN 0.461 nan 8.370 nan 0.000 0.517 48 F N 1.175 121.074 119.950 -0.085 0.000 2.769 48 F HA 0.024 4.552 4.527 0.001 0.000 0.304 48 F C 2.009 177.792 175.800 -0.028 0.000 1.158 48 F CA 0.381 58.343 58.000 -0.063 0.000 1.398 48 F CB -0.168 38.797 39.000 -0.060 0.000 1.094 48 F HN 0.286 nan 8.300 nan 0.000 0.553 49 T N -5.970 108.667 114.554 0.137 0.000 3.058 49 T HA 0.147 4.497 4.350 0.001 0.000 0.278 49 T C 0.761 175.484 174.700 0.037 0.000 0.974 49 T CA 0.322 62.465 62.100 0.072 0.000 0.893 49 T CB -0.120 68.796 68.868 0.080 0.000 1.138 49 T HN -0.104 nan 8.240 nan 0.000 0.529 50 S N 1.138 116.858 115.700 0.034 0.000 3.706 50 S HA 0.044 4.515 4.470 0.001 0.000 0.363 50 S C 1.406 176.009 174.600 0.006 0.000 0.999 50 S CA 0.997 59.187 58.200 -0.017 0.000 1.143 50 S CB -1.862 61.309 63.200 -0.049 0.000 0.902 50 S HN 1.898 nan 8.310 nan 0.000 0.476 51 G N 0.940 109.802 108.800 0.103 0.000 2.536 51 G HA2 -0.347 3.613 3.960 0.001 0.000 0.280 51 G HA3 -0.347 3.613 3.960 0.001 0.000 0.280 51 G C -0.170 174.789 174.900 0.098 0.000 1.152 51 G CA 0.619 45.814 45.100 0.158 0.000 0.970 51 G HN 0.854 nan 8.290 nan 0.000 0.549 52 Q N 1.094 120.943 119.800 0.082 0.000 3.170 52 Q HA 0.548 4.888 4.340 0.001 0.000 0.346 52 Q C 1.293 177.314 176.000 0.035 0.000 1.333 52 Q CA 0.589 56.428 55.803 0.061 0.000 0.958 52 Q CB -0.930 27.849 28.738 0.069 0.000 1.600 52 Q HN 0.647 nan 8.270 nan 0.000 0.482 53 M N -1.086 118.529 119.600 0.024 0.000 2.751 53 M HA -0.303 4.177 4.480 0.001 0.000 0.199 53 M C 0.079 176.380 176.300 0.002 0.000 0.550 53 M CA 0.903 56.207 55.300 0.006 0.000 0.640 53 M CB -2.868 29.734 32.600 0.004 0.000 2.351 53 M HN 0.343 nan 8.290 nan 0.000 0.613 54 S N -0.141 115.557 115.700 -0.003 0.000 2.942 54 S HA 0.401 4.871 4.470 0.001 0.000 0.220 54 S C 1.059 175.633 174.600 -0.043 0.000 0.945 54 S CA 0.365 58.559 58.200 -0.010 0.000 0.851 54 S CB 0.195 63.396 63.200 0.003 0.000 0.820 54 S HN 0.732 nan 8.310 nan 0.000 0.624 55 A N 2.320 125.090 122.820 -0.083 0.000 2.858 55 A HA 0.070 4.391 4.320 0.001 0.000 0.290 55 A C 1.105 178.622 177.584 -0.111 0.000 1.683 55 A CA 0.153 52.103 52.037 -0.145 0.000 1.180 55 A CB -0.856 17.942 19.000 -0.338 0.000 0.954 55 A HN 0.293 nan 8.150 nan 0.000 0.592 56 V N 2.456 122.324 119.914 -0.076 0.000 2.871 56 V HA -0.109 4.011 4.120 0.001 0.000 0.256 56 V C 1.725 177.788 176.094 -0.051 0.000 1.082 56 V CA 1.956 64.217 62.300 -0.064 0.000 1.105 56 V CB -0.232 31.556 31.823 -0.057 0.000 0.713 56 V HN 0.840 nan 8.190 nan 0.000 0.473 57 L N -0.488 120.711 121.223 -0.041 0.000 2.728 57 L HA 0.557 4.897 4.340 0.001 0.000 0.238 57 L C 1.095 178.021 176.870 0.093 0.000 1.143 57 L CA 0.396 55.255 54.840 0.033 0.000 0.937 57 L CB -0.528 41.508 42.059 -0.038 0.000 1.225 57 L HN 0.365 nan 8.230 nan 0.000 0.507 58 G N 0.283 109.068 108.800 -0.025 0.000 2.693 58 G HA2 -0.208 3.753 3.960 0.001 0.000 0.226 58 G HA3 -0.208 3.753 3.960 0.001 0.000 0.226 58 G C -0.500 174.309 174.900 -0.151 0.000 1.354 58 G CA -0.720 44.329 45.100 -0.085 0.000 0.873 58 G HN 0.284 nan 8.290 nan 0.000 0.562 59 H N -0.621 118.501 119.070 0.086 0.000 2.582 59 H HA 0.300 4.857 4.556 0.001 0.000 0.345 59 H C 1.492 176.883 175.328 0.106 0.000 1.104 59 H CA 0.701 56.806 56.048 0.095 0.000 1.390 59 H CB 0.497 30.320 29.762 0.103 0.000 1.461 59 H HN 1.288 nan 8.280 nan 0.000 0.551 60 C N 2.499 121.919 119.300 0.200 0.000 4.114 60 C HA -0.195 4.266 4.460 0.001 0.000 0.300 60 C C 1.144 176.212 174.990 0.130 0.000 1.423 60 C CA 0.169 59.280 59.018 0.154 0.000 2.034 60 C CB -3.188 24.638 27.740 0.143 0.000 1.299 60 C HN 0.792 nan 8.230 nan 0.000 0.727 61 H N 2.281 121.385 119.070 0.056 0.000 3.145 61 H HA 0.070 4.626 4.556 0.001 0.000 0.288 61 H C -0.790 174.562 175.328 0.040 0.000 0.969 61 H CA -0.441 55.632 56.048 0.042 0.000 1.444 61 H CB 0.922 30.697 29.762 0.022 0.000 1.500 61 H HN 0.255 nan 8.280 nan 0.000 0.552 62 P HA -0.215 nan 4.420 nan 0.000 0.218 62 P C 1.250 178.673 177.300 0.205 0.000 1.150 62 P CA 1.173 64.322 63.100 0.081 0.000 0.841 62 P CB 0.482 32.166 31.700 -0.028 0.000 0.784 63 E N -0.524 119.962 120.200 0.477 0.000 2.028 63 E HA -0.118 4.232 4.350 0.001 0.000 0.191 63 E C 2.098 178.778 176.600 0.134 0.000 0.988 63 E CA 0.992 57.544 56.400 0.254 0.000 0.799 63 E CB -0.803 28.968 29.700 0.119 0.000 0.755 63 E HN 0.227 nan 8.360 nan 0.000 0.447 64 I N 1.135 121.779 120.570 0.125 0.000 2.286 64 I HA -0.192 3.978 4.170 0.001 0.000 0.248 64 I C 2.539 178.709 176.117 0.088 0.000 1.115 64 I CA 0.776 62.119 61.300 0.072 0.000 1.392 64 I CB -1.562 36.482 38.000 0.073 0.000 1.065 64 I HN -0.083 nan 8.210 nan 0.000 0.418 65 V N 1.223 121.202 119.914 0.109 0.000 2.332 65 V HA -0.264 3.857 4.120 0.001 0.000 0.248 65 V C 2.816 178.960 176.094 0.082 0.000 1.055 65 V CA 2.071 64.424 62.300 0.089 0.000 1.038 65 V CB -1.259 30.614 31.823 0.083 0.000 0.651 65 V HN 0.566 nan 8.190 nan 0.000 0.450 66 S N 0.018 115.772 115.700 0.089 0.000 2.345 66 S HA -0.179 4.292 4.470 0.001 0.000 0.220 66 S C 2.096 176.758 174.600 0.103 0.000 1.031 66 S CA 1.812 60.061 58.200 0.083 0.000 0.996 66 S CB -0.430 62.818 63.200 0.079 0.000 0.882 66 S HN 0.328 nan 8.310 nan 0.000 0.445 67 V N 1.394 121.378 119.914 0.116 0.000 2.295 67 V HA -0.070 4.050 4.120 0.001 0.000 0.246 67 V C 2.310 178.527 176.094 0.205 0.000 1.049 67 V CA 2.055 64.458 62.300 0.171 0.000 1.024 67 V CB -0.647 31.241 31.823 0.108 0.000 0.648 67 V HN 0.671 nan 8.190 nan 0.000 0.447 68 I N 0.321 120.968 120.570 0.128 0.000 2.091 68 I HA -0.175 3.996 4.170 0.001 0.000 0.239 68 I C 2.393 178.581 176.117 0.119 0.000 1.061 68 I CA 2.254 63.624 61.300 0.117 0.000 1.317 68 I CB -0.847 37.200 38.000 0.079 0.000 1.031 68 I HN 0.397 nan 8.210 nan 0.000 0.401 69 G N -0.417 108.437 108.800 0.090 0.000 2.514 69 G HA2 -0.370 3.590 3.960 0.001 0.000 0.217 69 G HA3 -0.370 3.590 3.960 0.001 0.000 0.217 69 G C 1.446 176.379 174.900 0.056 0.000 1.198 69 G CA 1.097 46.235 45.100 0.063 0.000 0.780 69 G HN 0.549 nan 8.290 nan 0.000 0.565 70 E N -0.499 119.736 120.200 0.057 0.000 2.072 70 E HA -0.292 4.058 4.350 0.001 0.000 0.218 70 E C 2.238 178.773 176.600 -0.107 0.000 1.051 70 E CA 1.926 58.317 56.400 -0.016 0.000 0.880 70 E CB -0.357 29.370 29.700 0.045 0.000 0.783 70 E HN 0.601 nan 8.360 nan 0.000 0.473 71 Y N -0.312 120.002 120.300 0.024 0.000 2.373 71 Y HA -0.088 4.463 4.550 0.002 0.000 0.293 71 Y C 2.202 178.120 175.900 0.031 0.000 1.129 71 Y CA 0.761 58.877 58.100 0.027 0.000 1.226 71 Y CB -0.293 38.182 38.460 0.026 0.000 1.000 71 Y HN 0.210 nan 8.280 nan 0.000 0.549 72 A N 0.026 122.934 122.820 0.146 0.000 1.917 72 A HA -0.202 4.118 4.320 0.001 0.000 0.219 72 A C 2.467 180.083 177.584 0.054 0.000 1.182 72 A CA 2.042 54.136 52.037 0.096 0.000 0.633 72 A CB -1.368 17.676 19.000 0.073 0.000 0.819 72 A HN 0.459 nan 8.150 nan 0.000 0.448 73 G N -2.029 106.780 108.800 0.015 0.000 2.838 73 G HA2 0.087 4.047 3.960 0.001 0.000 0.210 73 G HA3 0.087 4.047 3.960 0.001 0.000 0.210 73 G C 1.505 176.384 174.900 -0.034 0.000 1.153 73 G CA 0.752 45.848 45.100 -0.007 0.000 0.778 73 G HN 0.486 nan 8.290 nan 0.000 0.539 74 K N -1.015 119.338 120.400 -0.078 0.000 2.266 74 K HA 0.425 4.746 4.320 0.001 0.000 0.209 74 K C -0.124 176.453 176.600 -0.037 0.000 1.065 74 K CA 0.104 56.320 56.287 -0.118 0.000 0.946 74 K CB 0.292 32.600 32.500 -0.319 0.000 1.069 74 K HN 0.079 nan 8.250 nan 0.000 0.472 75 L N 2.330 123.572 121.223 0.031 0.000 2.573 75 L HA 0.116 4.457 4.340 0.001 0.000 0.260 75 L C -0.573 176.413 176.870 0.194 0.000 0.997 75 L CA -0.482 54.439 54.840 0.134 0.000 0.890 75 L CB 1.439 43.633 42.059 0.223 0.000 1.179 75 L HN 0.289 nan 8.230 nan 0.000 0.439 76 D N 1.102 121.594 120.400 0.153 0.000 2.297 76 D HA -0.030 4.610 4.640 0.001 0.000 0.233 76 D C 0.459 176.880 176.300 0.202 0.000 1.056 76 D CA 0.755 54.858 54.000 0.171 0.000 0.938 76 D CB 0.117 41.005 40.800 0.145 0.000 1.048 76 D HN 0.488 nan 8.370 nan 0.000 0.442 77 H N -0.976 118.152 119.070 0.096 0.000 2.768 77 H HA 0.690 5.247 4.556 0.001 0.000 0.371 77 H C -1.294 174.089 175.328 0.091 0.000 1.151 77 H CA -0.891 55.217 56.048 0.100 0.000 1.165 77 H CB 1.425 31.257 29.762 0.116 0.000 1.722 77 H HN 0.086 nan 8.280 nan 0.000 0.543 78 L N 3.144 124.013 121.223 -0.589 0.000 2.409 78 L HA 0.298 4.639 4.340 0.001 0.000 0.255 78 L C -0.715 175.870 176.870 -0.474 0.000 1.027 78 L CA -1.373 53.252 54.840 -0.358 0.000 0.834 78 L CB 1.796 43.793 42.059 -0.104 0.000 1.426 78 L HN 0.587 nan 8.230 nan 0.000 0.411 79 F N 0.762 120.568 119.950 -0.240 0.000 2.590 79 F HA -0.053 4.474 4.527 0.001 0.000 0.389 79 F C 1.455 177.193 175.800 -0.104 0.000 1.049 79 F CA 0.389 58.327 58.000 -0.103 0.000 1.199 79 F CB 0.827 39.823 39.000 -0.007 0.000 1.058 79 F HN 0.473 nan 8.300 nan 0.000 0.556 80 S N 3.259 118.500 115.700 -0.764 0.000 2.461 80 S HA -0.229 4.242 4.470 0.001 0.000 0.246 80 S C 1.110 175.478 174.600 -0.386 0.000 1.007 80 S CA 1.655 59.426 58.200 -0.715 0.000 0.976 80 S CB -0.391 62.001 63.200 -1.348 0.000 0.763 80 S HN 0.736 nan 8.310 nan 0.000 0.508 81 E N 0.121 120.164 120.200 -0.260 0.000 2.499 81 E HA 0.284 4.634 4.350 0.001 0.000 0.207 81 E C -0.564 176.230 176.600 0.323 0.000 1.034 81 E CA -0.048 56.477 56.400 0.209 0.000 1.098 81 E CB 0.292 30.279 29.700 0.478 0.000 1.148 81 E HN 0.399 nan 8.360 nan 0.000 0.447 82 M N 1.663 121.393 119.600 0.217 0.000 2.197 82 M HA 0.359 4.840 4.480 0.001 0.000 0.301 82 M C -0.832 175.513 176.300 0.075 0.000 0.987 82 M CA -0.531 54.868 55.300 0.164 0.000 0.921 82 M CB 1.839 34.547 32.600 0.180 0.000 1.569 82 M HN -0.043 nan 8.290 nan 0.000 0.431 83 L N 1.906 123.166 121.223 0.061 0.000 2.421 83 L HA 0.689 5.029 4.340 0.001 0.000 0.263 83 L C 0.443 177.336 176.870 0.037 0.000 1.122 83 L CA -0.300 54.562 54.840 0.037 0.000 0.804 83 L CB 1.559 43.638 42.059 0.033 0.000 1.150 83 L HN 0.827 nan 8.230 nan 0.000 0.457 84 S N -0.134 115.584 115.700 0.031 0.000 2.656 84 S HA 0.466 4.937 4.470 0.001 0.000 0.273 84 S C 0.366 174.987 174.600 0.035 0.000 1.168 84 S CA -1.043 57.182 58.200 0.042 0.000 0.817 84 S CB 1.921 65.154 63.200 0.054 0.000 1.146 84 S HN 0.579 nan 8.310 nan 0.000 0.475 85 R N 0.440 120.971 120.500 0.052 0.000 2.070 85 R HA 0.016 4.357 4.340 0.001 0.000 0.233 85 R C -1.029 175.277 176.300 0.010 0.000 1.137 85 R CA 1.666 57.791 56.100 0.042 0.000 0.945 85 R CB -1.936 28.405 30.300 0.069 0.000 0.845 85 R HN 0.483 nan 8.270 nan 0.000 0.430 86 P HA -0.159 nan 4.420 nan 0.000 0.216 86 P C 1.616 178.878 177.300 -0.064 0.000 1.157 86 P CA 1.211 64.254 63.100 -0.094 0.000 0.880 86 P CB -0.052 31.522 31.700 -0.210 0.000 0.791 87 V N -0.569 119.320 119.914 -0.042 0.000 2.287 87 V HA -0.215 3.905 4.120 0.001 0.000 0.248 87 V C 2.435 178.518 176.094 -0.019 0.000 1.053 87 V CA 1.983 64.266 62.300 -0.029 0.000 1.027 87 V CB -1.257 30.555 31.823 -0.019 0.000 0.646 87 V HN -0.027 nan 8.190 nan 0.000 0.447 88 V N -0.015 119.894 119.914 -0.009 0.000 2.453 88 V HA -0.189 3.931 4.120 0.001 0.000 0.247 88 V C 2.249 178.339 176.094 -0.007 0.000 1.048 88 V CA 1.854 64.151 62.300 -0.005 0.000 1.049 88 V CB -0.741 31.083 31.823 0.002 0.000 0.672 88 V HN 0.532 nan 8.190 nan 0.000 0.457 89 D N 0.321 120.716 120.400 -0.008 0.000 2.087 89 D HA -0.179 4.462 4.640 0.001 0.000 0.192 89 D C 2.181 178.473 176.300 -0.014 0.000 0.993 89 D CA 1.291 55.285 54.000 -0.009 0.000 0.828 89 D CB -0.396 40.398 40.800 -0.010 0.000 0.968 89 D HN 0.272 nan 8.370 nan 0.000 0.448 90 L N 0.636 121.844 121.223 -0.024 0.000 2.012 90 L HA -0.236 4.105 4.340 0.001 0.000 0.210 90 L C 2.389 179.251 176.870 -0.012 0.000 1.073 90 L CA 1.547 56.374 54.840 -0.021 0.000 0.748 90 L CB -0.418 41.621 42.059 -0.033 0.000 0.891 90 L HN -0.013 nan 8.230 nan 0.000 0.431 91 A N -0.943 121.868 122.820 -0.015 0.000 1.917 91 A HA -0.254 4.067 4.320 0.001 0.000 0.219 91 A C 2.222 179.799 177.584 -0.013 0.000 1.182 91 A CA 2.542 54.569 52.037 -0.016 0.000 0.633 91 A CB -0.971 18.019 19.000 -0.017 0.000 0.819 91 A HN 0.483 nan 8.150 nan 0.000 0.448 92 T N -0.783 113.766 114.554 -0.008 0.000 2.701 92 T HA -0.127 4.223 4.350 0.001 0.000 0.263 92 T C 2.080 176.782 174.700 0.004 0.000 1.040 92 T CA 1.686 63.784 62.100 -0.004 0.000 1.147 92 T CB -0.277 68.590 68.868 -0.002 0.000 0.865 92 T HN 0.591 nan 8.240 nan 0.000 0.426 93 R N 1.667 122.171 120.500 0.007 0.000 2.122 93 R HA -0.092 4.248 4.340 0.001 0.000 0.236 93 R C 2.257 178.577 176.300 0.033 0.000 1.129 93 R CA 1.823 57.934 56.100 0.018 0.000 0.925 93 R CB -1.349 28.960 30.300 0.016 0.000 0.850 93 R HN 0.408 nan 8.270 nan 0.000 0.431 94 L N -0.080 121.161 121.223 0.031 0.000 2.010 94 L HA -0.295 4.045 4.340 0.001 0.000 0.219 94 L C 2.571 179.448 176.870 0.012 0.000 1.077 94 L CA 1.947 56.809 54.840 0.036 0.000 0.773 94 L CB -0.901 41.162 42.059 0.007 0.000 0.892 94 L HN 0.528 nan 8.230 nan 0.000 0.436 95 A N -0.413 122.403 122.820 -0.007 0.000 1.972 95 A HA -0.201 4.120 4.320 0.001 0.000 0.219 95 A C 2.016 179.601 177.584 0.002 0.000 1.169 95 A CA 1.835 53.861 52.037 -0.018 0.000 0.635 95 A CB -0.500 18.488 19.000 -0.020 0.000 0.810 95 A HN 0.487 nan 8.150 nan 0.000 0.446 96 N N 0.269 118.979 118.700 0.018 0.000 2.171 96 N HA -0.088 4.652 4.740 0.001 0.000 0.184 96 N C 1.580 177.124 175.510 0.057 0.000 1.021 96 N CA 1.773 54.841 53.050 0.029 0.000 0.854 96 N CB -0.358 38.143 38.487 0.024 0.000 0.994 96 N HN 0.774 nan 8.380 nan 0.000 0.426 97 I N -1.233 119.395 120.570 0.097 0.000 3.793 97 I HA 0.156 4.326 4.170 0.001 0.000 0.315 97 I C 0.172 176.454 176.117 0.275 0.000 1.275 97 I CA -0.130 61.267 61.300 0.162 0.000 1.214 97 I CB -0.225 37.882 38.000 0.177 0.000 1.018 97 I HN -0.171 nan 8.210 nan 0.000 0.439 98 T N -0.699 113.946 114.554 0.152 0.000 2.944 98 T HA 0.543 4.893 4.350 0.001 0.000 0.284 98 T C -2.471 172.256 174.700 0.046 0.000 1.010 98 T CA -1.951 60.191 62.100 0.069 0.000 1.025 98 T CB 1.093 69.852 68.868 -0.181 0.000 1.079 98 T HN -0.105 nan 8.240 nan 0.000 0.516 99 P HA 0.201 nan 4.420 nan 0.000 0.270 99 P C -2.624 174.672 177.300 -0.006 0.000 1.221 99 P CA -1.134 61.980 63.100 0.023 0.000 0.788 99 P CB -1.073 30.637 31.700 0.017 0.000 0.904 100 P HA 0.138 nan 4.420 nan 0.000 0.268 100 P C 0.949 178.236 177.300 -0.021 0.000 1.205 100 P CA 1.164 64.259 63.100 -0.009 0.000 0.771 100 P CB 0.038 31.736 31.700 -0.003 0.000 0.858 101 G N 1.711 110.495 108.800 -0.026 0.000 2.195 101 G HA2 -0.195 3.765 3.960 0.001 0.000 0.224 101 G HA3 -0.195 3.765 3.960 0.001 0.000 0.224 101 G C -0.244 174.627 174.900 -0.048 0.000 0.990 101 G CA -0.472 44.608 45.100 -0.034 0.000 0.639 101 G HN 0.456 nan 8.290 nan 0.000 0.514 102 L N 1.492 122.682 121.223 -0.055 0.000 2.276 102 L HA 0.521 4.861 4.340 0.001 0.000 0.286 102 L C 0.165 176.998 176.870 -0.062 0.000 1.024 102 L CA -0.797 53.998 54.840 -0.075 0.000 0.826 102 L CB 1.305 43.301 42.059 -0.106 0.000 1.211 102 L HN 0.035 nan 8.230 nan 0.000 0.422 103 D N 1.387 121.751 120.400 -0.060 0.000 2.766 103 D HA 0.137 4.778 4.640 0.001 0.000 0.284 103 D C 0.459 176.729 176.300 -0.049 0.000 1.050 103 D CA 0.370 54.341 54.000 -0.048 0.000 0.945 103 D CB 0.774 41.549 40.800 -0.042 0.000 1.272 103 D HN 0.350 nan 8.370 nan 0.000 0.482 104 R N 1.046 121.510 120.500 -0.059 0.000 2.532 104 R HA 0.798 5.138 4.340 0.001 0.000 0.295 104 R C -0.457 175.802 176.300 -0.067 0.000 0.968 104 R CA -0.657 55.408 56.100 -0.058 0.000 0.916 104 R CB 2.194 32.457 30.300 -0.061 0.000 1.124 104 R HN -0.049 nan 8.270 nan 0.000 0.463 105 A N 2.283 125.071 122.820 -0.054 0.000 2.356 105 A HA 0.650 4.970 4.320 0.001 0.000 0.323 105 A C -1.273 176.287 177.584 -0.040 0.000 1.119 105 A CA -0.756 51.247 52.037 -0.055 0.000 0.790 105 A CB 1.498 20.470 19.000 -0.047 0.000 1.273 105 A HN 0.561 nan 8.150 nan 0.000 0.452 106 L N 1.860 123.058 121.223 -0.041 0.000 2.325 106 L HA 0.580 4.921 4.340 0.001 0.000 0.281 106 L C -1.307 175.554 176.870 -0.015 0.000 1.004 106 L CA -0.203 54.628 54.840 -0.015 0.000 0.823 106 L CB 1.156 43.210 42.059 -0.009 0.000 1.236 106 L HN 0.588 nan 8.230 nan 0.000 0.415 107 L N 6.901 128.123 121.223 -0.002 0.000 2.270 107 L HA 0.426 4.766 4.340 0.001 0.000 0.286 107 L C -0.246 176.635 176.870 0.019 0.000 1.059 107 L CA -0.133 54.707 54.840 -0.000 0.000 0.839 107 L CB 0.521 42.575 42.059 -0.009 0.000 1.221 107 L HN 0.650 nan 8.230 nan 0.000 0.431 108 L N 0.929 122.168 121.223 0.027 0.000 2.422 108 L HA 0.534 4.874 4.340 0.001 0.000 0.263 108 L C 0.986 177.887 176.870 0.052 0.000 1.110 108 L CA -0.350 54.526 54.840 0.060 0.000 1.065 108 L CB 1.535 43.634 42.059 0.067 0.000 1.701 108 L HN 0.490 nan 8.230 nan 0.000 0.548 109 S N -2.185 113.557 115.700 0.070 0.000 2.731 109 S HA 0.091 4.561 4.470 0.001 0.000 0.244 109 S C 0.413 175.038 174.600 0.041 0.000 1.084 109 S CA 0.218 58.445 58.200 0.045 0.000 0.877 109 S CB 0.509 63.733 63.200 0.040 0.000 0.798 109 S HN 0.782 nan 8.310 nan 0.000 0.496 110 T N -1.075 113.515 114.554 0.060 0.000 2.930 110 T HA 0.654 5.005 4.350 0.001 0.000 0.290 110 T C 1.191 175.928 174.700 0.062 0.000 1.052 110 T CA -0.079 62.058 62.100 0.061 0.000 1.017 110 T CB 1.536 70.445 68.868 0.068 0.000 1.137 110 T HN 0.056 nan 8.240 nan 0.000 0.511 111 G N -0.002 108.842 108.800 0.073 0.000 2.443 111 G HA2 0.154 4.114 3.960 0.001 0.000 0.219 111 G HA3 0.154 4.114 3.960 0.001 0.000 0.219 111 G C 1.534 176.478 174.900 0.072 0.000 1.131 111 G CA 0.697 45.845 45.100 0.079 0.000 0.775 111 G HN 1.095 nan 8.290 nan 0.000 0.547 112 A N 0.547 123.410 122.820 0.071 0.000 1.930 112 A HA 0.114 4.434 4.320 0.001 0.000 0.215 112 A C 2.053 179.667 177.584 0.051 0.000 1.176 112 A CA 1.741 53.805 52.037 0.045 0.000 0.632 112 A CB -0.327 18.695 19.000 0.036 0.000 0.819 112 A HN 0.426 nan 8.150 nan 0.000 0.445 113 E N 0.612 120.857 120.200 0.076 0.000 2.023 113 E HA -0.214 4.136 4.350 0.001 0.000 0.196 113 E C 2.315 178.930 176.600 0.026 0.000 1.003 113 E CA 1.967 58.438 56.400 0.119 0.000 0.809 113 E CB -0.167 29.617 29.700 0.141 0.000 0.755 113 E HN 0.710 nan 8.360 nan 0.000 0.449 114 S N 1.027 116.720 115.700 -0.012 0.000 2.359 114 S HA -0.244 4.227 4.470 0.001 0.000 0.223 114 S C 1.770 176.310 174.600 -0.099 0.000 1.039 114 S CA 1.591 59.744 58.200 -0.079 0.000 1.042 114 S CB -0.741 62.442 63.200 -0.029 0.000 0.915 114 S HN 0.279 nan 8.310 nan 0.000 0.439 115 N N 1.815 120.490 118.700 -0.042 0.000 2.149 115 N HA -0.095 4.645 4.740 0.001 0.000 0.188 115 N C 1.820 177.288 175.510 -0.071 0.000 1.019 115 N CA 1.554 54.569 53.050 -0.059 0.000 0.857 115 N CB -0.496 37.969 38.487 -0.037 0.000 0.997 115 N HN 0.609 nan 8.380 nan 0.000 0.426 116 E N 1.190 121.372 120.200 -0.029 0.000 2.051 116 E HA -0.096 4.255 4.350 0.001 0.000 0.192 116 E C 2.019 178.591 176.600 -0.047 0.000 0.991 116 E CA 0.901 57.329 56.400 0.047 0.000 0.799 116 E CB -0.262 29.564 29.700 0.208 0.000 0.748 116 E HN 0.324 nan 8.360 nan 0.000 0.449 117 A N 1.810 124.339 122.820 -0.484 0.000 1.892 117 A HA -0.190 4.131 4.320 0.001 0.000 0.218 117 A C 2.459 179.897 177.584 -0.243 0.000 1.188 117 A CA 2.369 53.800 52.037 -1.009 0.000 0.631 117 A CB -0.700 17.590 19.000 -1.185 0.000 0.822 117 A HN 0.294 nan 8.150 nan 0.000 0.447 118 A N -0.175 122.533 122.820 -0.188 0.000 1.858 118 A HA -0.105 4.215 4.320 0.001 0.000 0.216 118 A C 2.149 179.711 177.584 -0.037 0.000 1.190 118 A CA 1.618 53.590 52.037 -0.108 0.000 0.617 118 A CB -0.685 18.250 19.000 -0.108 0.000 0.827 118 A HN 0.495 nan 8.150 nan 0.000 0.443 119 I N -0.665 119.889 120.570 -0.026 0.000 2.163 119 I HA -0.301 3.870 4.170 0.001 0.000 0.243 119 I C 2.731 178.890 176.117 0.071 0.000 1.085 119 I CA 1.932 63.236 61.300 0.007 0.000 1.347 119 I CB -0.311 37.685 38.000 -0.006 0.000 1.044 119 I HN 0.441 nan 8.210 nan 0.000 0.408 120 R N 1.199 121.781 120.500 0.137 0.000 2.073 120 R HA -0.239 4.101 4.340 0.001 0.000 0.234 120 R C 2.415 178.870 176.300 0.259 0.000 1.134 120 R CA 1.914 58.139 56.100 0.208 0.000 0.952 120 R CB -0.378 30.099 30.300 0.294 0.000 0.850 120 R HN 0.302 nan 8.270 nan 0.000 0.433 121 M N 0.236 120.027 119.600 0.317 0.000 2.149 121 M HA -0.161 4.320 4.480 0.001 0.000 0.261 121 M C 2.040 178.364 176.300 0.041 0.000 1.064 121 M CA 2.166 57.552 55.300 0.143 0.000 1.102 121 M CB -0.110 32.343 32.600 -0.244 0.000 1.369 121 M HN 0.376 nan 8.290 nan 0.000 0.408 122 A N 0.083 122.922 122.820 0.031 0.000 1.930 122 A HA -0.124 4.197 4.320 0.001 0.000 0.215 122 A C 1.972 179.584 177.584 0.046 0.000 1.176 122 A CA 1.552 53.600 52.037 0.018 0.000 0.632 122 A CB -0.375 18.629 19.000 0.008 0.000 0.819 122 A HN 0.530 nan 8.150 nan 0.000 0.445 123 K N -0.645 119.799 120.400 0.073 0.000 2.026 123 K HA -0.106 4.215 4.320 0.001 0.000 0.208 123 K C 1.875 178.529 176.600 0.091 0.000 1.048 123 K CA 1.380 57.719 56.287 0.087 0.000 0.929 123 K CB -0.387 32.176 32.500 0.106 0.000 0.713 123 K HN 0.353 nan 8.250 nan 0.000 0.439 124 L N 0.976 122.269 121.223 0.116 0.000 2.013 124 L HA -0.180 4.160 4.340 0.001 0.000 0.212 124 L C 2.103 179.021 176.870 0.080 0.000 1.073 124 L CA 1.704 56.615 54.840 0.120 0.000 0.753 124 L CB -0.547 41.636 42.059 0.207 0.000 0.890 124 L HN 0.167 nan 8.230 nan 0.000 0.432 125 V N -3.797 116.152 119.914 0.059 0.000 2.719 125 V HA -0.085 4.036 4.120 0.001 0.000 0.252 125 V C 2.186 178.295 176.094 0.024 0.000 1.065 125 V CA 1.619 63.937 62.300 0.030 0.000 1.086 125 V CB -1.630 30.195 31.823 0.003 0.000 0.700 125 V HN 0.662 nan 8.190 nan 0.000 0.467 126 T N -2.938 111.634 114.554 0.029 0.000 3.035 126 T HA 0.352 4.703 4.350 0.001 0.000 0.259 126 T C 1.783 176.502 174.700 0.031 0.000 1.078 126 T CA 0.949 63.063 62.100 0.023 0.000 1.132 126 T CB 0.052 68.931 68.868 0.018 0.000 0.900 126 T HN 1.637 nan 8.240 nan 0.000 0.480 127 G N 1.763 110.591 108.800 0.047 0.000 2.137 127 G HA2 -0.187 3.773 3.960 0.001 0.000 0.237 127 G HA3 -0.187 3.773 3.960 0.001 0.000 0.237 127 G C -0.053 174.896 174.900 0.082 0.000 1.002 127 G CA 0.280 45.416 45.100 0.059 0.000 0.702 127 G HN 0.677 nan 8.290 nan 0.000 0.515 128 K N -1.295 119.151 120.400 0.077 0.000 2.331 128 K HA 0.695 5.016 4.320 0.001 0.000 0.238 128 K C 0.418 177.102 176.600 0.141 0.000 1.058 128 K CA -0.385 55.948 56.287 0.076 0.000 0.871 128 K CB 1.174 33.654 32.500 -0.033 0.000 1.292 128 K HN 0.472 nan 8.250 nan 0.000 0.470 129 Y N -1.827 118.485 120.300 0.020 0.000 2.540 129 Y HA 0.379 4.929 4.550 0.001 0.000 0.257 129 Y C -0.242 175.655 175.900 -0.004 0.000 1.090 129 Y CA -0.619 57.485 58.100 0.006 0.000 1.242 129 Y CB 0.392 38.850 38.460 -0.003 0.000 1.325 129 Y HN 0.389 nan 8.280 nan 0.000 0.544 130 E N 3.008 123.027 120.200 -0.301 0.000 2.289 130 E HA 0.381 4.732 4.350 0.001 0.000 0.278 130 E C -0.622 175.951 176.600 -0.046 0.000 1.032 130 E CA -0.381 55.918 56.400 -0.169 0.000 0.854 130 E CB 1.633 31.204 29.700 -0.214 0.000 1.046 130 E HN 0.177 nan 8.360 nan 0.000 0.409 131 I N 2.724 123.276 120.570 -0.030 0.000 2.545 131 I HA 0.380 4.551 4.170 0.001 0.000 0.292 131 I C -0.415 175.646 176.117 -0.093 0.000 1.040 131 I CA -0.944 60.321 61.300 -0.058 0.000 1.068 131 I CB 1.688 39.649 38.000 -0.065 0.000 1.251 131 I HN 0.255 nan 8.210 nan 0.000 0.424 132 V N 3.973 123.743 119.914 -0.239 0.000 2.638 132 V HA 0.888 5.008 4.120 0.001 0.000 0.306 132 V C 0.289 175.739 176.094 -1.074 0.000 1.052 132 V CA -0.384 61.628 62.300 -0.481 0.000 0.885 132 V CB 1.883 33.468 31.823 -0.396 0.000 0.999 132 V HN 0.999 nan 8.190 nan 0.000 0.424 133 G N 1.886 110.139 108.800 -0.912 0.000 2.949 133 G HA2 0.748 4.709 3.960 0.001 0.000 0.285 133 G HA3 0.748 4.709 3.960 0.001 0.000 0.285 133 G C -1.501 172.923 174.900 -0.794 0.000 1.395 133 G CA -0.673 43.873 45.100 -0.923 0.000 0.901 133 G HN 0.269 nan 8.290 nan 0.000 0.519 134 F N 0.280 120.169 119.950 -0.102 0.000 2.382 134 F HA 0.495 5.023 4.527 0.001 0.000 0.331 134 F C 1.617 177.340 175.800 -0.129 0.000 1.121 134 F CA -0.329 57.655 58.000 -0.026 0.000 1.183 134 F CB 1.726 40.791 39.000 0.108 0.000 1.207 134 F HN 0.482 nan 8.300 nan 0.000 0.555 135 A N 1.555 124.469 122.820 0.156 0.000 2.209 135 A HA -0.045 4.275 4.320 0.001 0.000 0.212 135 A C 1.121 178.827 177.584 0.202 0.000 1.158 135 A CA 0.706 52.783 52.037 0.067 0.000 0.742 135 A CB -0.594 18.441 19.000 0.057 0.000 0.790 135 A HN 0.645 nan 8.150 nan 0.000 0.472 136 Q N 0.375 120.308 119.800 0.221 0.000 2.129 136 Q HA 0.180 4.521 4.340 0.001 0.000 0.274 136 Q C -0.018 176.109 176.000 0.212 0.000 0.854 136 Q CA 0.265 56.169 55.803 0.169 0.000 1.123 136 Q CB -0.930 27.827 28.738 0.032 0.000 1.226 136 Q HN 0.488 nan 8.270 nan 0.000 0.454 137 S N 0.065 115.956 115.700 0.318 0.000 2.614 137 S HA 0.510 4.981 4.470 0.001 0.000 0.265 137 S C -0.512 174.216 174.600 0.213 0.000 1.303 137 S CA -0.498 57.866 58.200 0.273 0.000 1.000 137 S CB 1.296 64.723 63.200 0.379 0.000 0.935 137 S HN 0.514 nan 8.310 nan 0.000 0.551 138 W N 2.204 123.366 121.300 -0.231 0.000 3.036 138 W HA 0.351 5.011 4.660 0.001 0.000 0.337 138 W C -1.142 175.086 176.519 -0.485 0.000 1.055 138 W CA -0.439 56.772 57.345 -0.222 0.000 1.248 138 W CB 1.253 30.636 29.460 -0.128 0.000 1.335 138 W HN 0.976 nan 8.180 nan 0.000 0.446 139 H N 2.871 121.582 119.070 -0.599 0.000 3.440 139 H HA 0.333 4.890 4.556 0.001 0.000 0.259 139 H C 0.898 175.971 175.328 -0.425 0.000 1.120 139 H CA 0.822 56.660 56.048 -0.349 0.000 1.191 139 H CB 2.211 31.872 29.762 -0.169 0.000 1.537 139 H HN 0.519 nan 8.280 nan 0.000 0.547 140 G N 0.083 108.420 108.800 -0.771 0.000 2.352 140 G HA2 0.040 4.001 3.960 0.001 0.000 0.302 140 G HA3 0.040 4.001 3.960 0.001 0.000 0.302 140 G C -0.053 174.606 174.900 -0.402 0.000 1.370 140 G CA -0.544 44.348 45.100 -0.346 0.000 0.918 140 G HN -0.105 nan 8.290 nan 0.000 0.610 141 M N 0.763 120.303 119.600 -0.099 0.000 2.510 141 M HA 0.181 4.661 4.480 0.001 0.000 0.256 141 M C 1.709 177.973 176.300 -0.061 0.000 1.132 141 M CA 1.062 56.336 55.300 -0.043 0.000 1.105 141 M CB -0.572 32.078 32.600 0.083 0.000 1.375 141 M HN 0.861 nan 8.290 nan 0.000 0.477 142 T N -2.209 112.310 114.554 -0.059 0.000 2.918 142 T HA 0.555 4.905 4.350 0.001 0.000 0.283 142 T C 1.458 176.120 174.700 -0.063 0.000 1.001 142 T CA -0.101 61.976 62.100 -0.040 0.000 1.041 142 T CB 1.706 70.572 68.868 -0.003 0.000 1.028 142 T HN 0.374 nan 8.240 nan 0.000 0.511 143 G N 1.968 110.740 108.800 -0.046 0.000 3.889 143 G HA2 -0.347 3.614 3.960 0.001 0.000 0.260 143 G HA3 -0.347 3.614 3.960 0.001 0.000 0.260 143 G C 1.658 176.515 174.900 -0.072 0.000 0.899 143 G CA 2.118 47.186 45.100 -0.053 0.000 0.756 143 G HN 1.483 nan 8.290 nan 0.000 1.407 144 A N 0.270 123.062 122.820 -0.046 0.000 1.877 144 A HA 0.238 4.559 4.320 0.001 0.000 0.216 144 A C 2.973 180.504 177.584 -0.088 0.000 1.186 144 A CA 2.992 54.996 52.037 -0.054 0.000 0.620 144 A CB -1.115 17.875 19.000 -0.017 0.000 0.822 144 A HN 1.586 nan 8.150 nan 0.000 0.443 145 A N 0.026 122.798 122.820 -0.081 0.000 1.859 145 A HA 0.020 4.341 4.320 0.001 0.000 0.217 145 A C 2.578 180.047 177.584 -0.190 0.000 1.198 145 A CA 2.834 54.805 52.037 -0.109 0.000 0.629 145 A CB -1.324 17.618 19.000 -0.097 0.000 0.830 145 A HN 1.229 nan 8.150 nan 0.000 0.446 146 A N -0.323 122.371 122.820 -0.211 0.000 1.883 146 A HA -0.128 4.192 4.320 0.001 0.000 0.217 146 A C 2.396 179.811 177.584 -0.282 0.000 1.186 146 A CA 2.376 54.247 52.037 -0.276 0.000 0.624 146 A CB -1.095 17.778 19.000 -0.213 0.000 0.822 146 A HN 0.631 nan 8.150 nan 0.000 0.444 147 S N 0.225 115.794 115.700 -0.218 0.000 2.419 147 S HA -0.037 4.434 4.470 0.001 0.000 0.235 147 S C 1.920 176.315 174.600 -0.342 0.000 1.019 147 S CA 1.128 59.180 58.200 -0.248 0.000 0.982 147 S CB -0.387 62.719 63.200 -0.157 0.000 0.789 147 S HN 0.845 nan 8.310 nan 0.000 0.490 148 A N 0.946 123.626 122.820 -0.233 0.000 2.218 148 A HA 0.217 4.538 4.320 0.001 0.000 0.209 148 A C 0.920 178.476 177.584 -0.047 0.000 1.168 148 A CA 0.199 52.206 52.037 -0.049 0.000 0.804 148 A CB -0.179 18.799 19.000 -0.037 0.000 0.834 148 A HN 0.344 nan 8.150 nan 0.000 0.482 149 T N -0.073 114.261 114.554 -0.367 0.000 2.728 149 T HA 0.407 4.758 4.350 0.001 0.000 0.296 149 T C 0.025 174.510 174.700 -0.360 0.000 0.940 149 T CA 0.136 62.078 62.100 -0.264 0.000 1.013 149 T CB 0.299 68.886 68.868 -0.468 0.000 0.912 149 T HN 0.359 nan 8.240 nan 0.000 0.484 150 Y N 0.748 121.079 120.300 0.051 0.000 2.483 150 Y HA 0.087 4.637 4.550 0.001 0.000 0.258 150 Y C 2.653 178.620 175.900 0.112 0.000 1.083 150 Y CA -0.038 58.107 58.100 0.075 0.000 1.283 150 Y CB -0.203 38.302 38.460 0.075 0.000 1.178 150 Y HN 0.692 nan 8.280 nan 0.000 0.515 151 S N 0.580 116.461 115.700 0.302 0.000 2.387 151 S HA 0.060 4.530 4.470 0.001 0.000 0.230 151 S C 0.971 175.698 174.600 0.212 0.000 1.035 151 S CA 0.950 59.290 58.200 0.233 0.000 1.014 151 S CB -0.328 63.020 63.200 0.246 0.000 0.836 151 S HN 0.326 nan 8.310 nan 0.000 0.466 152 A N -1.572 121.410 122.820 0.270 0.000 2.506 152 A HA 0.650 4.970 4.320 0.001 0.000 0.305 152 A C 0.846 178.548 177.584 0.197 0.000 1.166 152 A CA -0.103 52.069 52.037 0.226 0.000 0.638 152 A CB -0.409 18.740 19.000 0.247 0.000 1.336 152 A HN 1.567 nan 8.150 nan 0.000 0.493 153 G N -0.589 108.307 108.800 0.161 0.000 2.233 153 G HA2 -0.287 3.673 3.960 0.001 0.000 0.270 153 G HA3 -0.287 3.673 3.960 0.001 0.000 0.270 153 G C 0.738 175.641 174.900 0.005 0.000 1.011 153 G CA 1.173 46.333 45.100 0.099 0.000 0.762 153 G HN 0.822 nan 8.290 nan 0.000 0.511 154 R N -0.414 120.077 120.500 -0.015 0.000 2.173 154 R HA 0.074 4.415 4.340 0.001 0.000 0.208 154 R C 1.182 177.464 176.300 -0.030 0.000 1.035 154 R CA 0.649 56.714 56.100 -0.057 0.000 1.004 154 R CB 0.089 30.343 30.300 -0.076 0.000 0.917 154 R HN 0.398 nan 8.270 nan 0.000 0.462 155 K N 0.110 120.508 120.400 -0.004 0.000 2.154 155 K HA 0.226 4.547 4.320 0.001 0.000 0.264 155 K C 0.715 177.314 176.600 -0.001 0.000 1.008 155 K CA 0.372 56.659 56.287 0.000 0.000 0.937 155 K CB 0.906 33.413 32.500 0.011 0.000 1.002 155 K HN 0.196 nan 8.250 nan 0.000 0.469 156 G N 0.117 108.916 108.800 -0.002 0.000 2.166 156 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 156 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 156 G C 0.367 175.265 174.900 -0.004 0.000 0.986 156 G CA 0.619 45.718 45.100 -0.001 0.000 0.683 156 G HN 0.502 nan 8.290 nan 0.000 0.527 157 V N -3.316 116.591 119.914 -0.011 0.000 3.078 157 V HA 0.722 4.842 4.120 0.001 0.000 0.344 157 V C 1.132 177.213 176.094 -0.023 0.000 1.409 157 V CA 0.243 62.534 62.300 -0.014 0.000 1.146 157 V CB -0.147 31.668 31.823 -0.015 0.000 1.126 157 V HN 2.203 nan 8.190 nan 0.000 0.513 158 G N 0.993 109.780 108.800 -0.022 0.000 2.710 158 G HA2 -0.016 3.945 3.960 0.001 0.000 0.668 158 G HA3 -0.016 3.945 3.960 0.001 0.000 0.668 158 G C -2.486 172.393 174.900 -0.035 0.000 1.320 158 G CA -0.459 44.626 45.100 -0.026 0.000 0.860 158 G HN 0.474 nan 8.290 nan 0.000 0.538 159 P HA 0.519 nan 4.420 nan 0.000 0.268 159 P C 0.576 177.839 177.300 -0.061 0.000 1.208 159 P CA 0.581 63.655 63.100 -0.044 0.000 0.777 159 P CB 0.612 32.288 31.700 -0.041 0.000 0.875 160 A N 1.893 124.669 122.820 -0.074 0.000 2.250 160 A HA 0.628 4.948 4.320 0.001 0.000 0.283 160 A C 0.138 177.668 177.584 -0.090 0.000 1.206 160 A CA -0.130 51.849 52.037 -0.097 0.000 0.840 160 A CB -0.364 18.559 19.000 -0.129 0.000 1.220 160 A HN 0.607 nan 8.150 nan 0.000 0.505 161 A N -0.345 122.418 122.820 -0.096 0.000 2.477 161 A HA 0.462 4.783 4.320 0.001 0.000 0.246 161 A C 0.388 177.923 177.584 -0.081 0.000 1.078 161 A CA -0.270 51.720 52.037 -0.079 0.000 0.770 161 A CB -0.702 18.259 19.000 -0.066 0.000 1.011 161 A HN 1.351 nan 8.150 nan 0.000 0.494 162 V N 2.064 121.935 119.914 -0.073 0.000 2.726 162 V HA 0.294 4.414 4.120 0.001 0.000 0.304 162 V C 1.608 177.723 176.094 0.034 0.000 1.115 162 V CA 1.415 63.681 62.300 -0.057 0.000 1.264 162 V CB -0.636 31.103 31.823 -0.140 0.000 0.867 162 V HN 2.153 nan 8.190 nan 0.000 0.498 163 G N 3.409 112.190 108.800 -0.032 0.000 2.132 163 G HA2 -0.202 3.758 3.960 0.001 0.000 0.228 163 G HA3 -0.202 3.758 3.960 0.001 0.000 0.228 163 G C 0.055 174.713 174.900 -0.404 0.000 1.000 163 G CA -0.028 45.008 45.100 -0.107 0.000 0.693 163 G HN 1.163 nan 8.290 nan 0.000 0.515 164 S N -0.019 115.387 115.700 -0.489 0.000 2.457 164 S HA 0.851 5.322 4.470 0.001 0.000 0.289 164 S C -0.484 173.762 174.600 -0.589 0.000 1.163 164 S CA -0.606 57.380 58.200 -0.357 0.000 1.078 164 S CB 1.602 64.730 63.200 -0.120 0.000 0.987 164 S HN 0.342 nan 8.310 nan 0.000 0.482 165 F N 0.388 120.353 119.950 0.026 0.000 2.640 165 F HA 0.855 5.383 4.527 0.001 0.000 0.324 165 F C 0.215 175.804 175.800 -0.351 0.000 1.077 165 F CA -1.084 56.858 58.000 -0.097 0.000 0.965 165 F CB 1.770 40.677 39.000 -0.155 0.000 1.351 165 F HN 0.773 nan 8.300 nan 0.000 0.487 166 A N 1.207 123.893 122.820 -0.222 0.000 2.515 166 A HA 0.890 5.211 4.320 0.001 0.000 0.298 166 A C -1.358 176.051 177.584 -0.291 0.000 1.059 166 A CA -0.642 51.036 52.037 -0.600 0.000 0.698 166 A CB 1.462 19.733 19.000 -1.216 0.000 1.289 166 A HN 0.759 nan 8.150 nan 0.000 0.404 167 I N -1.094 119.364 120.570 -0.188 0.000 2.740 167 I HA 0.755 4.925 4.170 0.001 0.000 0.303 167 I C -2.815 173.417 176.117 0.192 0.000 1.044 167 I CA -2.954 58.355 61.300 0.014 0.000 1.064 167 I CB 1.944 39.981 38.000 0.062 0.000 1.249 167 I HN 0.263 nan 8.210 nan 0.000 0.433 168 P HA 0.159 nan 4.420 nan 0.000 0.268 168 P C -0.808 176.660 177.300 0.279 0.000 1.208 168 P CA -0.133 63.091 63.100 0.206 0.000 0.777 168 P CB 0.474 32.281 31.700 0.178 0.000 0.875 169 A N 3.518 126.392 122.820 0.090 0.000 2.306 169 A HA 0.560 4.880 4.320 0.001 0.000 0.314 169 A C -2.226 175.247 177.584 -0.185 0.000 1.164 169 A CA -1.844 50.002 52.037 -0.319 0.000 0.822 169 A CB -0.279 18.242 19.000 -0.797 0.000 1.130 169 A HN 0.423 nan 8.150 nan 0.000 0.496 170 P HA 0.073 nan 4.420 nan 0.000 0.264 170 P C -1.228 176.079 177.300 0.011 0.000 1.229 170 P CA 0.493 63.450 63.100 -0.237 0.000 0.780 170 P CB -0.019 31.149 31.700 -0.887 0.000 0.808 171 F N 4.740 124.768 119.950 0.130 0.000 2.552 171 F HA 0.183 4.710 4.527 0.001 0.000 0.369 171 F C 1.491 177.321 175.800 0.050 0.000 1.112 171 F CA -1.071 56.945 58.000 0.026 0.000 1.129 171 F CB 0.554 39.525 39.000 -0.048 0.000 1.360 171 F HN 0.224 nan 8.300 nan 0.000 0.473 172 T N 1.623 116.295 114.554 0.198 0.000 2.803 172 T HA -0.255 4.096 4.350 0.001 0.000 0.269 172 T C 1.740 176.331 174.700 -0.182 0.000 1.052 172 T CA 1.554 63.716 62.100 0.103 0.000 1.136 172 T CB -0.693 68.279 68.868 0.174 0.000 0.864 172 T HN 0.530 nan 8.240 nan 0.000 0.467 173 Y N 3.027 122.925 120.300 -0.671 0.000 2.220 173 Y HA 0.210 4.761 4.550 0.001 0.000 0.291 173 Y C 1.374 176.768 175.900 -0.843 0.000 1.129 173 Y CA 0.490 58.149 58.100 -0.735 0.000 1.161 173 Y CB 0.032 38.103 38.460 -0.648 0.000 0.997 173 Y HN 0.199 nan 8.280 nan 0.000 0.522 174 R N 1.169 120.779 120.500 -1.484 0.000 2.835 174 R HA 0.263 4.603 4.340 0.001 0.000 0.290 174 R C -2.700 173.211 176.300 -0.648 0.000 1.410 174 R CA -1.830 53.715 56.100 -0.925 0.000 1.590 174 R CB 0.355 30.278 30.300 -0.629 0.000 1.288 174 R HN 0.111 nan 8.270 nan 0.000 0.637 175 P HA -0.012 nan 4.420 nan 0.000 0.266 175 P C -0.224 176.744 177.300 -0.553 0.000 1.195 175 P CA 0.086 62.594 63.100 -0.987 0.000 0.768 175 P CB 0.910 31.983 31.700 -1.044 0.000 0.838 176 R N 1.158 121.435 120.500 -0.371 0.000 2.566 176 R HA 0.274 4.614 4.340 0.001 0.000 0.388 176 R C -0.497 175.866 176.300 0.104 0.000 0.989 176 R CA -0.222 55.827 56.100 -0.085 0.000 1.164 176 R CB 0.303 30.592 30.300 -0.018 0.000 1.459 176 R HN 0.365 nan 8.270 nan 0.000 0.553 177 F N 1.847 121.845 119.950 0.081 0.000 2.430 177 F HA 0.310 4.838 4.527 0.001 0.000 0.362 177 F C -0.170 175.741 175.800 0.185 0.000 1.103 177 F CA -0.721 57.382 58.000 0.172 0.000 1.045 177 F CB 1.014 40.158 39.000 0.240 0.000 1.276 177 F HN -0.152 nan 8.300 nan 0.000 0.444 178 E N 4.471 124.563 120.200 -0.181 0.000 2.249 178 E HA 0.460 4.811 4.350 0.001 0.000 0.280 178 E C -0.929 175.568 176.600 -0.173 0.000 1.016 178 E CA -0.830 55.507 56.400 -0.105 0.000 0.830 178 E CB 0.999 30.633 29.700 -0.110 0.000 1.081 178 E HN 0.560 nan 8.360 nan 0.000 0.395 179 R N 2.914 123.396 120.500 -0.029 0.000 2.569 179 R HA 0.212 4.553 4.340 0.001 0.000 0.293 179 R C -1.170 175.123 176.300 -0.011 0.000 1.186 179 R CA -0.154 55.929 56.100 -0.029 0.000 0.956 179 R CB 0.107 30.433 30.300 0.043 0.000 1.196 179 R HN 0.840 nan 8.270 nan 0.000 0.444 180 N N 2.709 121.394 118.700 -0.026 0.000 2.756 180 N HA -0.211 4.530 4.740 0.001 0.000 0.248 180 N C 0.131 175.634 175.510 -0.011 0.000 1.062 180 N CA 0.570 53.610 53.050 -0.017 0.000 0.696 180 N CB -0.551 37.930 38.487 -0.010 0.000 0.946 180 N HN 1.024 nan 8.380 nan 0.000 0.548 181 G N -1.477 107.313 108.800 -0.016 0.000 2.221 181 G HA2 -0.028 3.933 3.960 0.001 0.000 0.265 181 G HA3 -0.028 3.933 3.960 0.001 0.000 0.265 181 G C 0.064 174.972 174.900 0.012 0.000 1.041 181 G CA 0.593 45.688 45.100 -0.008 0.000 0.807 181 G HN 1.110 nan 8.290 nan 0.000 0.502 182 A N -1.356 121.482 122.820 0.030 0.000 2.609 182 A HA 0.651 4.972 4.320 0.001 0.000 0.291 182 A C -0.773 176.897 177.584 0.144 0.000 1.096 182 A CA -0.706 51.372 52.037 0.070 0.000 0.684 182 A CB 0.960 19.985 19.000 0.043 0.000 1.282 182 A HN 1.328 nan 8.150 nan 0.000 0.412 183 Y N 1.875 122.202 120.300 0.045 0.000 2.624 183 Y HA 0.356 4.907 4.550 0.001 0.000 0.354 183 Y C -0.181 175.769 175.900 0.083 0.000 1.051 183 Y CA -0.706 57.459 58.100 0.107 0.000 1.377 183 Y CB 0.309 38.862 38.460 0.155 0.000 1.168 183 Y HN 0.587 nan 8.280 nan 0.000 0.525 184 D N 5.874 126.340 120.400 0.110 0.000 2.500 184 D HA 0.002 4.642 4.640 0.001 0.000 0.219 184 D C 0.440 176.628 176.300 -0.187 0.000 1.137 184 D CA -0.347 53.593 54.000 -0.100 0.000 0.946 184 D CB -0.228 40.609 40.800 0.061 0.000 1.022 184 D HN 0.618 nan 8.370 nan 0.000 0.518 185 Y N 1.429 121.431 120.300 -0.497 0.000 2.561 185 Y HA 0.054 4.605 4.550 0.001 0.000 0.291 185 Y C 1.343 177.142 175.900 -0.167 0.000 1.141 185 Y CA -0.118 57.620 58.100 -0.603 0.000 1.303 185 Y CB -0.245 37.680 38.460 -0.891 0.000 1.015 185 Y HN 0.196 nan 8.280 nan 0.000 0.547 186 L N 1.091 122.232 121.223 -0.137 0.000 2.131 186 L HA 0.123 4.463 4.340 0.001 0.000 0.206 186 L C 2.539 179.391 176.870 -0.031 0.000 1.087 186 L CA 1.353 56.182 54.840 -0.018 0.000 0.767 186 L CB -1.487 40.483 42.059 -0.149 0.000 0.917 186 L HN 0.390 nan 8.230 nan 0.000 0.441 187 A N -1.189 121.605 122.820 -0.044 0.000 1.969 187 A HA -0.206 4.115 4.320 0.001 0.000 0.218 187 A C 2.266 179.704 177.584 -0.244 0.000 1.169 187 A CA 1.390 53.438 52.037 0.018 0.000 0.635 187 A CB -0.426 18.727 19.000 0.254 0.000 0.810 187 A HN 0.472 nan 8.150 nan 0.000 0.445 188 E N -0.180 119.689 120.200 -0.551 0.000 2.038 188 E HA -0.198 4.153 4.350 0.001 0.000 0.195 188 E C 1.943 178.415 176.600 -0.214 0.000 1.000 188 E CA 1.154 57.030 56.400 -0.874 0.000 0.803 188 E CB -0.215 29.257 29.700 -0.380 0.000 0.750 188 E HN 0.579 nan 8.360 nan 0.000 0.448 189 L N 1.044 122.280 121.223 0.022 0.000 1.978 189 L HA -0.299 4.041 4.340 0.001 0.000 0.218 189 L C 1.988 178.964 176.870 0.177 0.000 1.075 189 L CA 2.121 57.062 54.840 0.169 0.000 0.767 189 L CB -0.551 41.554 42.059 0.076 0.000 0.890 189 L HN 0.256 nan 8.230 nan 0.000 0.434 190 D N -1.117 119.332 120.400 0.082 0.000 2.103 190 D HA -0.292 4.349 4.640 0.001 0.000 0.190 190 D C 1.857 178.249 176.300 0.155 0.000 0.997 190 D CA 1.793 55.850 54.000 0.096 0.000 0.833 190 D CB -0.598 40.239 40.800 0.063 0.000 0.961 190 D HN 0.462 nan 8.370 nan 0.000 0.447 191 Y N 1.277 121.566 120.300 -0.019 0.000 2.151 191 Y HA -0.267 4.283 4.550 0.001 0.000 0.284 191 Y C 2.265 178.176 175.900 0.019 0.000 1.166 191 Y CA 2.050 60.155 58.100 0.009 0.000 1.163 191 Y CB -0.177 38.273 38.460 -0.017 0.000 0.974 191 Y HN -0.029 nan 8.280 nan 0.000 0.511 192 A N -0.126 122.821 122.820 0.212 0.000 1.877 192 A HA -0.207 4.114 4.320 0.001 0.000 0.216 192 A C 2.045 179.589 177.584 -0.066 0.000 1.186 192 A CA 1.750 53.839 52.037 0.086 0.000 0.620 192 A CB -1.451 17.609 19.000 0.100 0.000 0.822 192 A HN 0.550 nan 8.150 nan 0.000 0.443 193 F N 0.726 120.660 119.950 -0.026 0.000 2.216 193 F HA -0.137 4.391 4.527 0.001 0.000 0.300 193 F C 1.869 177.610 175.800 -0.098 0.000 1.085 193 F CA 1.728 59.696 58.000 -0.052 0.000 1.326 193 F CB -0.094 38.883 39.000 -0.039 0.000 1.027 193 F HN 0.248 nan 8.300 nan 0.000 0.497 194 D N -0.376 120.054 120.400 0.049 0.000 2.183 194 D HA -0.129 4.511 4.640 0.001 0.000 0.203 194 D C 2.257 178.482 176.300 -0.124 0.000 0.969 194 D CA 0.702 54.677 54.000 -0.042 0.000 0.842 194 D CB -0.506 40.241 40.800 -0.088 0.000 0.957 194 D HN 0.189 nan 8.370 nan 0.000 0.484 195 L N 0.875 121.981 121.223 -0.195 0.000 2.005 195 L HA -0.119 4.222 4.340 0.001 0.000 0.207 195 L C 1.983 178.701 176.870 -0.253 0.000 1.072 195 L CA 1.337 56.047 54.840 -0.218 0.000 0.744 195 L CB -0.636 41.296 42.059 -0.212 0.000 0.895 195 L HN -0.080 nan 8.230 nan 0.000 0.433 196 I N 0.196 120.580 120.570 -0.311 0.000 2.151 196 I HA -0.326 3.844 4.170 0.001 0.000 0.243 196 I C 2.294 178.221 176.117 -0.316 0.000 1.080 196 I CA 1.537 62.562 61.300 -0.459 0.000 1.339 196 I CB -1.414 36.283 38.000 -0.506 0.000 1.039 196 I HN 0.345 nan 8.210 nan 0.000 0.409 197 D N 0.609 120.922 120.400 -0.145 0.000 2.149 197 D HA -0.201 4.440 4.640 0.001 0.000 0.194 197 D C 2.235 178.477 176.300 -0.098 0.000 1.001 197 D CA 1.109 55.069 54.000 -0.066 0.000 0.849 197 D CB -0.202 40.597 40.800 -0.000 0.000 0.939 197 D HN 0.343 nan 8.370 nan 0.000 0.449 198 R N 0.451 120.879 120.500 -0.120 0.000 2.189 198 R HA -0.049 4.292 4.340 0.001 0.000 0.223 198 R C 2.033 178.265 176.300 -0.113 0.000 1.092 198 R CA 0.609 56.649 56.100 -0.100 0.000 0.989 198 R CB -0.399 29.848 30.300 -0.088 0.000 0.876 198 R HN 0.506 nan 8.270 nan 0.000 0.457 199 Q N 0.430 120.107 119.800 -0.205 0.000 2.354 199 Q HA 0.089 4.430 4.340 0.001 0.000 0.203 199 Q C 0.829 176.781 176.000 -0.080 0.000 0.933 199 Q CA -0.018 55.673 55.803 -0.187 0.000 0.901 199 Q CB 0.144 28.672 28.738 -0.351 0.000 1.007 199 Q HN 0.025 nan 8.270 nan 0.000 0.495 200 S N 1.356 116.987 115.700 -0.114 0.000 2.558 200 S HA -0.030 4.441 4.470 0.001 0.000 0.287 200 S C 1.018 175.637 174.600 0.033 0.000 1.321 200 S CA 0.162 58.362 58.200 0.000 0.000 1.048 200 S CB 0.633 63.812 63.200 -0.035 0.000 0.844 200 S HN 0.435 nan 8.310 nan 0.000 0.512 201 S N 2.754 118.479 115.700 0.042 0.000 2.634 201 S HA 0.357 4.828 4.470 0.001 0.000 0.221 201 S C 1.209 175.815 174.600 0.011 0.000 0.952 201 S CA 0.243 58.476 58.200 0.054 0.000 0.930 201 S CB -0.294 62.978 63.200 0.120 0.000 0.780 201 S HN 1.985 nan 8.310 nan 0.000 0.498 202 G N 1.934 110.720 108.800 -0.022 0.000 2.171 202 G HA2 -0.210 3.751 3.960 0.001 0.000 0.238 202 G HA3 -0.210 3.751 3.960 0.001 0.000 0.238 202 G C 0.065 174.921 174.900 -0.074 0.000 1.039 202 G CA 0.043 45.125 45.100 -0.030 0.000 0.759 202 G HN 0.555 nan 8.290 nan 0.000 0.501 203 N N 0.060 118.655 118.700 -0.176 0.000 2.416 203 N HA 0.164 4.904 4.740 0.001 0.000 0.267 203 N C 0.321 175.663 175.510 -0.280 0.000 1.294 203 N CA -0.474 52.391 53.050 -0.310 0.000 0.891 203 N CB 0.506 38.599 38.487 -0.657 0.000 1.238 203 N HN 0.175 nan 8.380 nan 0.000 0.508 204 L N 1.407 122.557 121.223 -0.121 0.000 2.615 204 L HA -0.002 4.339 4.340 0.001 0.000 0.271 204 L C 1.495 178.349 176.870 -0.026 0.000 1.183 204 L CA 0.396 55.212 54.840 -0.040 0.000 0.933 204 L CB -0.463 41.618 42.059 0.037 0.000 1.199 204 L HN 0.175 nan 8.230 nan 0.000 0.487 205 A N 3.038 125.847 122.820 -0.019 0.000 1.999 205 A HA 0.751 5.072 4.320 0.001 0.000 0.200 205 A C 0.789 178.388 177.584 0.026 0.000 1.363 205 A CA 0.878 52.916 52.037 0.001 0.000 0.844 205 A CB 0.281 19.282 19.000 0.002 0.000 0.954 205 A HN 0.770 nan 8.150 nan 0.000 0.481 206 A N -1.884 120.959 122.820 0.037 0.000 2.564 206 A HA 0.636 4.956 4.320 0.001 0.000 0.291 206 A C -1.944 175.708 177.584 0.113 0.000 1.102 206 A CA -0.370 51.709 52.037 0.071 0.000 0.660 206 A CB 0.392 19.412 19.000 0.032 0.000 1.283 206 A HN 0.836 nan 8.150 nan 0.000 0.430 207 F N 0.205 120.145 119.950 -0.017 0.000 2.547 207 F HA 0.758 5.286 4.527 0.001 0.000 0.316 207 F C -0.810 174.937 175.800 -0.087 0.000 1.121 207 F CA -0.915 57.060 58.000 -0.043 0.000 0.911 207 F CB 1.603 40.611 39.000 0.013 0.000 1.179 207 F HN 0.653 nan 8.300 nan 0.000 0.443 208 I N 4.996 125.506 120.570 -0.099 0.000 2.530 208 I HA 0.889 5.060 4.170 0.001 0.000 0.297 208 I C -1.490 174.669 176.117 0.071 0.000 1.011 208 I CA -0.380 60.886 61.300 -0.057 0.000 1.107 208 I CB 1.525 39.318 38.000 -0.344 0.000 1.285 208 I HN 0.790 nan 8.210 nan 0.000 0.436 209 A N 5.571 128.532 122.820 0.236 0.000 2.566 209 A HA 0.516 4.837 4.320 0.001 0.000 0.297 209 A C -1.426 176.441 177.584 0.472 0.000 1.059 209 A CA -0.665 51.644 52.037 0.453 0.000 0.691 209 A CB 1.232 20.560 19.000 0.547 0.000 1.282 209 A HN 0.723 nan 8.150 nan 0.000 0.401 210 E N 2.350 122.872 120.200 0.536 0.000 2.259 210 E HA 0.302 4.652 4.350 0.001 0.000 0.281 210 E C -1.708 175.061 176.600 0.282 0.000 1.027 210 E CA -1.753 54.857 56.400 0.351 0.000 0.838 210 E CB 1.374 31.223 29.700 0.249 0.000 1.066 210 E HN 0.337 nan 8.360 nan 0.000 0.401 211 P HA -0.101 nan 4.420 nan 0.000 0.215 211 P C -0.113 177.237 177.300 0.082 0.000 1.153 211 P CA 1.340 64.531 63.100 0.151 0.000 0.853 211 P CB 0.346 32.122 31.700 0.127 0.000 0.788 212 I N -1.098 119.508 120.570 0.059 0.000 2.447 212 I HA 0.148 4.319 4.170 0.001 0.000 0.287 212 I C -0.670 175.445 176.117 -0.003 0.000 1.023 212 I CA -1.221 60.077 61.300 -0.003 0.000 1.083 212 I CB 1.945 39.942 38.000 -0.004 0.000 1.245 212 I HN -0.336 nan 8.210 nan 0.000 0.434 213 L N 5.711 126.899 121.223 -0.059 0.000 2.485 213 L HA 0.108 4.449 4.340 0.001 0.000 0.279 213 L C 1.333 178.170 176.870 -0.056 0.000 1.124 213 L CA 0.780 55.592 54.840 -0.046 0.000 0.888 213 L CB 0.694 42.680 42.059 -0.122 0.000 1.217 213 L HN 0.677 nan 8.230 nan 0.000 0.464 214 S N 1.881 117.570 115.700 -0.019 0.000 2.311 214 S HA -0.134 4.336 4.470 0.001 0.000 0.209 214 S C 2.094 176.654 174.600 -0.067 0.000 1.029 214 S CA 1.296 59.474 58.200 -0.037 0.000 0.968 214 S CB -0.107 63.083 63.200 -0.017 0.000 0.946 214 S HN 0.815 nan 8.310 nan 0.000 0.450 215 S N 0.758 116.415 115.700 -0.072 0.000 2.400 215 S HA 0.014 4.485 4.470 0.001 0.000 0.232 215 S C 2.015 176.563 174.600 -0.086 0.000 1.025 215 S CA 1.455 59.580 58.200 -0.126 0.000 0.993 215 S CB -1.415 61.650 63.200 -0.226 0.000 0.808 215 S HN 0.661 nan 8.310 nan 0.000 0.478 216 G N 0.644 109.413 108.800 -0.051 0.000 2.653 216 G HA2 0.357 4.318 3.960 0.001 0.000 0.212 216 G HA3 0.357 4.318 3.960 0.001 0.000 0.212 216 G C 0.942 175.741 174.900 -0.169 0.000 1.138 216 G CA 0.149 45.201 45.100 -0.081 0.000 0.782 216 G HN 1.607 nan 8.290 nan 0.000 0.535 217 G N 0.400 109.110 108.800 -0.150 0.000 2.186 217 G HA2 -0.084 3.876 3.960 0.001 0.000 0.130 217 G HA3 -0.084 3.876 3.960 0.001 0.000 0.130 217 G C 0.336 175.146 174.900 -0.151 0.000 1.031 217 G CA -0.440 44.566 45.100 -0.157 0.000 0.697 217 G HN 0.877 nan 8.290 nan 0.000 0.494 218 I N -0.829 119.671 120.570 -0.117 0.000 7.316 218 I HA -0.218 3.952 4.170 0.001 0.000 0.126 218 I C 0.419 176.460 176.117 -0.126 0.000 1.806 218 I CA 0.746 61.993 61.300 -0.089 0.000 2.125 218 I CB -2.045 35.926 38.000 -0.048 0.000 3.572 218 I HN 0.410 nan 8.210 nan 0.000 0.196 219 I N 2.615 123.070 120.570 -0.191 0.000 2.330 219 I HA 0.302 4.473 4.170 0.001 0.000 0.289 219 I C 0.850 176.868 176.117 -0.165 0.000 1.001 219 I CA -0.265 60.891 61.300 -0.239 0.000 1.193 219 I CB 1.632 39.365 38.000 -0.445 0.000 1.345 219 I HN 0.282 nan 8.210 nan 0.000 0.461 220 E N 6.541 126.681 120.200 -0.100 0.000 2.200 220 E HA 0.365 4.715 4.350 0.001 0.000 0.283 220 E C -0.819 175.692 176.600 -0.147 0.000 1.015 220 E CA -0.694 55.657 56.400 -0.083 0.000 0.819 220 E CB 0.992 30.671 29.700 -0.035 0.000 1.081 220 E HN 0.489 nan 8.360 nan 0.000 0.397 221 L N 7.207 128.339 121.223 -0.152 0.000 2.500 221 L HA 0.183 4.523 4.340 0.001 0.000 0.272 221 L C -1.888 174.881 176.870 -0.169 0.000 1.149 221 L CA -1.795 52.900 54.840 -0.241 0.000 0.897 221 L CB -0.154 41.867 42.059 -0.063 0.000 1.178 221 L HN 0.426 nan 8.230 nan 0.000 0.473 222 P HA -0.034 nan 4.420 nan 0.000 0.269 222 P C -0.627 176.642 177.300 -0.052 0.000 1.217 222 P CA -0.369 62.545 63.100 -0.310 0.000 0.783 222 P CB 0.369 31.471 31.700 -0.997 0.000 0.898 223 D N 0.882 121.324 120.400 0.069 0.000 2.581 223 D HA 0.150 4.791 4.640 0.001 0.000 0.238 223 D C 1.660 178.093 176.300 0.222 0.000 1.145 223 D CA 2.298 56.383 54.000 0.143 0.000 0.866 223 D CB -0.368 40.522 40.800 0.151 0.000 1.151 223 D HN 0.688 nan 8.370 nan 0.000 0.500 224 G N 2.409 111.305 108.800 0.160 0.000 2.199 224 G HA2 -0.427 3.533 3.960 0.001 0.000 0.254 224 G HA3 -0.427 3.533 3.960 0.001 0.000 0.254 224 G C 0.988 175.980 174.900 0.154 0.000 0.982 224 G CA 0.525 45.710 45.100 0.142 0.000 0.632 224 G HN 0.540 nan 8.290 nan 0.000 0.529 225 Y N 0.466 120.816 120.300 0.083 0.000 2.060 225 Y HA 0.021 4.572 4.550 0.001 0.000 0.276 225 Y C 2.935 178.848 175.900 0.021 0.000 1.127 225 Y CA 3.047 61.179 58.100 0.054 0.000 1.104 225 Y CB -0.592 37.850 38.460 -0.030 0.000 0.983 225 Y HN 0.303 nan 8.280 nan 0.000 0.483 226 M N 0.387 120.092 119.600 0.175 0.000 2.113 226 M HA -0.324 4.157 4.480 0.001 0.000 0.255 226 M C 2.229 178.485 176.300 -0.072 0.000 1.073 226 M CA 2.585 57.927 55.300 0.070 0.000 1.091 226 M CB -0.860 31.805 32.600 0.108 0.000 1.309 226 M HN 0.371 nan 8.290 nan 0.000 0.407 227 A N -0.418 122.377 122.820 -0.042 0.000 1.892 227 A HA -0.079 4.241 4.320 0.001 0.000 0.218 227 A C 2.391 179.892 177.584 -0.138 0.000 1.188 227 A CA 2.605 54.602 52.037 -0.067 0.000 0.631 227 A CB -1.619 17.362 19.000 -0.032 0.000 0.822 227 A HN 0.732 nan 8.150 nan 0.000 0.447 228 A N -0.743 121.970 122.820 -0.178 0.000 1.908 228 A HA -0.088 4.233 4.320 0.001 0.000 0.218 228 A C 2.138 179.518 177.584 -0.341 0.000 1.181 228 A CA 1.870 53.761 52.037 -0.244 0.000 0.627 228 A CB -0.652 18.187 19.000 -0.269 0.000 0.818 228 A HN 0.702 nan 8.150 nan 0.000 0.445 229 L N -0.149 120.811 121.223 -0.439 0.000 2.042 229 L HA -0.142 4.199 4.340 0.001 0.000 0.210 229 L C 2.272 178.925 176.870 -0.360 0.000 1.076 229 L CA 2.732 57.288 54.840 -0.473 0.000 0.749 229 L CB -0.666 41.117 42.059 -0.460 0.000 0.893 229 L HN 0.414 nan 8.230 nan 0.000 0.432 230 K N -0.642 119.609 120.400 -0.248 0.000 2.097 230 K HA -0.142 4.179 4.320 0.001 0.000 0.206 230 K C 2.256 178.741 176.600 -0.191 0.000 1.049 230 K CA 1.353 57.532 56.287 -0.181 0.000 0.933 230 K CB -0.141 32.289 32.500 -0.117 0.000 0.717 230 K HN 0.244 nan 8.250 nan 0.000 0.442 231 R N 0.030 120.404 120.500 -0.209 0.000 2.115 231 R HA -0.038 4.302 4.340 0.001 0.000 0.230 231 R C 1.947 178.086 176.300 -0.269 0.000 1.111 231 R CA 0.960 56.940 56.100 -0.199 0.000 0.976 231 R CB -0.029 30.166 30.300 -0.176 0.000 0.870 231 R HN 0.057 nan 8.270 nan 0.000 0.445 232 K N 0.371 120.530 120.400 -0.402 0.000 2.063 232 K HA -0.135 4.186 4.320 0.001 0.000 0.208 232 K C 2.135 178.451 176.600 -0.473 0.000 1.048 232 K CA 1.310 57.211 56.287 -0.644 0.000 0.928 232 K CB -0.484 31.306 32.500 -1.184 0.000 0.713 232 K HN 0.253 nan 8.250 nan 0.000 0.442 233 C N 1.001 120.119 119.300 -0.303 0.000 2.496 233 C HA -0.053 4.408 4.460 0.001 0.000 0.281 233 C C 2.520 177.446 174.990 -0.106 0.000 1.250 233 C CA 0.501 59.444 59.018 -0.126 0.000 1.717 233 C CB -0.901 26.806 27.740 -0.055 0.000 2.082 233 C HN 0.544 nan 8.230 nan 0.000 0.472 234 E N 1.488 121.621 120.200 -0.112 0.000 2.108 234 E HA -0.304 4.047 4.350 0.001 0.000 0.203 234 E C 2.317 178.865 176.600 -0.087 0.000 1.022 234 E CA 1.688 58.036 56.400 -0.086 0.000 0.823 234 E CB -0.419 29.228 29.700 -0.088 0.000 0.744 234 E HN 0.683 nan 8.360 nan 0.000 0.456 235 A N 1.338 124.085 122.820 -0.122 0.000 1.917 235 A HA -0.205 4.116 4.320 0.001 0.000 0.219 235 A C 1.927 179.463 177.584 -0.080 0.000 1.182 235 A CA 1.643 53.613 52.037 -0.110 0.000 0.633 235 A CB -0.396 18.512 19.000 -0.152 0.000 0.819 235 A HN 0.112 nan 8.150 nan 0.000 0.448 236 R N -1.271 119.184 120.500 -0.075 0.000 2.426 236 R HA 0.328 4.669 4.340 0.001 0.000 0.263 236 R C 1.047 177.339 176.300 -0.013 0.000 0.961 236 R CA 0.460 56.543 56.100 -0.029 0.000 1.086 236 R CB -0.127 30.178 30.300 0.009 0.000 1.186 236 R HN 0.644 nan 8.270 nan 0.000 0.537 237 G N 1.308 110.093 108.800 -0.024 0.000 2.203 237 G HA2 -0.329 3.631 3.960 0.001 0.000 0.263 237 G HA3 -0.329 3.631 3.960 0.001 0.000 0.263 237 G C 0.111 175.009 174.900 -0.003 0.000 1.012 237 G CA 0.426 45.516 45.100 -0.015 0.000 0.749 237 G HN 0.248 nan 8.290 nan 0.000 0.512 238 M N 0.058 119.662 119.600 0.006 0.000 2.409 238 M HA 0.586 5.067 4.480 0.001 0.000 0.329 238 M C 0.841 177.153 176.300 0.020 0.000 1.180 238 M CA -0.754 54.563 55.300 0.029 0.000 1.053 238 M CB 1.321 33.968 32.600 0.078 0.000 1.586 238 M HN -0.082 nan 8.290 nan 0.000 0.461 239 L N 2.061 123.299 121.223 0.025 0.000 2.439 239 L HA 0.506 4.847 4.340 0.001 0.000 0.259 239 L C -0.574 176.322 176.870 0.042 0.000 1.129 239 L CA -0.849 53.999 54.840 0.013 0.000 0.803 239 L CB 0.878 42.936 42.059 -0.002 0.000 1.161 239 L HN 0.559 nan 8.230 nan 0.000 0.462 240 L N 2.421 123.658 121.223 0.023 0.000 2.316 240 L HA 0.509 4.850 4.340 0.001 0.000 0.280 240 L C -0.696 176.191 176.870 0.029 0.000 1.006 240 L CA 0.035 54.902 54.840 0.045 0.000 0.836 240 L CB 1.076 43.136 42.059 0.001 0.000 1.221 240 L HN 0.308 nan 8.230 nan 0.000 0.418 241 I N 5.727 126.324 120.570 0.045 0.000 2.336 241 I HA 0.350 4.521 4.170 0.001 0.000 0.292 241 I C -0.482 175.658 176.117 0.039 0.000 0.991 241 I CA -0.060 61.243 61.300 0.005 0.000 1.227 241 I CB 1.510 39.486 38.000 -0.040 0.000 1.366 241 I HN 0.504 nan 8.210 nan 0.000 0.466 242 L N 5.809 127.051 121.223 0.032 0.000 2.276 242 L HA 0.327 4.668 4.340 0.001 0.000 0.286 242 L C -0.277 176.639 176.870 0.076 0.000 1.024 242 L CA -0.505 54.381 54.840 0.077 0.000 0.826 242 L CB 0.989 43.089 42.059 0.067 0.000 1.211 242 L HN 0.505 nan 8.230 nan 0.000 0.422 243 D N 4.468 124.957 120.400 0.148 0.000 2.402 243 D HA 0.024 4.664 4.640 0.001 0.000 0.235 243 D C 0.146 176.546 176.300 0.168 0.000 1.226 243 D CA 0.104 54.211 54.000 0.178 0.000 0.918 243 D CB 0.652 41.666 40.800 0.357 0.000 1.043 243 D HN 0.495 nan 8.370 nan 0.000 0.506 244 E N 2.547 122.821 120.200 0.122 0.000 2.405 244 E HA 0.165 4.515 4.350 0.001 0.000 0.214 244 E C 1.248 177.926 176.600 0.130 0.000 1.101 244 E CA -0.391 56.093 56.400 0.138 0.000 1.254 244 E CB 0.700 30.500 29.700 0.166 0.000 1.240 244 E HN 0.509 nan 8.360 nan 0.000 0.439 245 A N 0.935 123.832 122.820 0.127 0.000 1.948 245 A HA -0.276 4.045 4.320 0.001 0.000 0.220 245 A C 2.030 179.670 177.584 0.093 0.000 1.177 245 A CA 1.570 53.675 52.037 0.112 0.000 0.636 245 A CB -0.020 19.060 19.000 0.133 0.000 0.815 245 A HN 0.278 nan 8.150 nan 0.000 0.449 246 Q N -2.193 117.661 119.800 0.091 0.000 2.431 246 Q HA -0.008 4.333 4.340 0.001 0.000 0.244 246 Q C 2.040 178.074 176.000 0.056 0.000 0.880 246 Q CA 0.969 56.809 55.803 0.061 0.000 0.954 246 Q CB 0.174 28.940 28.738 0.047 0.000 1.105 246 Q HN 0.812 nan 8.270 nan 0.000 0.558 247 T N -1.338 113.264 114.554 0.080 0.000 2.985 247 T HA 0.078 4.428 4.350 0.001 0.000 0.266 247 T C 1.186 175.945 174.700 0.098 0.000 1.076 247 T CA 0.458 62.605 62.100 0.078 0.000 1.135 247 T CB -0.292 68.635 68.868 0.098 0.000 0.890 247 T HN 0.171 nan 8.240 nan 0.000 0.480 248 G N 0.931 109.820 108.800 0.149 0.000 2.684 248 G HA2 0.392 4.353 3.960 0.001 0.000 0.255 248 G HA3 0.392 4.353 3.960 0.001 0.000 0.255 248 G C 0.197 175.143 174.900 0.077 0.000 1.219 248 G CA -0.051 45.195 45.100 0.243 0.000 0.901 248 G HN 0.847 nan 8.290 nan 0.000 0.548 249 V N -0.252 119.631 119.914 -0.052 0.000 5.767 249 V HA -0.200 3.920 4.120 0.001 0.000 0.311 249 V C 1.904 177.884 176.094 -0.190 0.000 0.532 249 V CA 1.711 63.901 62.300 -0.184 0.000 0.659 249 V CB -2.041 29.765 31.823 -0.029 0.000 0.353 249 V HN 2.800 nan 8.190 nan 0.000 1.082 250 G N -0.066 108.586 108.800 -0.246 0.000 2.284 250 G HA2 -0.439 3.522 3.960 0.001 0.000 0.247 250 G HA3 -0.439 3.522 3.960 0.001 0.000 0.247 250 G C 0.788 175.627 174.900 -0.101 0.000 1.012 250 G CA 1.171 46.169 45.100 -0.170 0.000 0.618 250 G HN 1.002 nan 8.290 nan 0.000 0.521 251 R N 0.988 121.443 120.500 -0.075 0.000 2.113 251 R HA -0.131 4.209 4.340 0.001 0.000 0.244 251 R C 2.682 178.953 176.300 -0.049 0.000 1.142 251 R CA 3.005 59.072 56.100 -0.055 0.000 0.953 251 R CB -0.776 29.502 30.300 -0.036 0.000 0.860 251 R HN 0.677 nan 8.270 nan 0.000 0.438 252 T N -3.504 111.029 114.554 -0.035 0.000 3.148 252 T HA 0.243 4.594 4.350 0.001 0.000 0.253 252 T C 1.258 175.938 174.700 -0.033 0.000 1.134 252 T CA 0.382 62.467 62.100 -0.026 0.000 1.051 252 T CB 0.505 69.371 68.868 -0.002 0.000 0.959 252 T HN 0.536 nan 8.240 nan 0.000 0.525 253 G N 1.041 109.812 108.800 -0.049 0.000 2.163 253 G HA2 -0.140 3.820 3.960 0.001 0.000 0.213 253 G HA3 -0.140 3.820 3.960 0.001 0.000 0.213 253 G C 0.160 175.027 174.900 -0.054 0.000 0.991 253 G CA 0.040 45.111 45.100 -0.048 0.000 0.653 253 G HN 1.194 nan 8.290 nan 0.000 0.518 254 T N -3.676 110.835 114.554 -0.071 0.000 2.896 254 T HA 0.628 4.979 4.350 0.001 0.000 0.297 254 T C 1.088 175.671 174.700 -0.194 0.000 1.108 254 T CA 0.123 62.169 62.100 -0.089 0.000 1.004 254 T CB 1.768 70.615 68.868 -0.035 0.000 1.159 254 T HN 0.401 nan 8.240 nan 0.000 0.499 255 M N 0.423 119.850 119.600 -0.289 0.000 2.106 255 M HA 0.253 4.734 4.480 0.001 0.000 0.259 255 M C -0.815 174.846 176.300 -1.066 0.000 1.068 255 M CA 1.291 56.199 55.300 -0.654 0.000 1.100 255 M CB -0.897 31.289 32.600 -0.690 0.000 1.351 255 M HN 0.645 nan 8.290 nan 0.000 0.404 256 F N -1.593 118.359 119.950 0.003 0.000 2.557 256 F HA 0.574 5.101 4.527 0.001 0.000 0.316 256 F C 0.948 176.757 175.800 0.015 0.000 1.141 256 F CA -0.960 57.046 58.000 0.010 0.000 0.922 256 F CB 0.254 39.261 39.000 0.010 0.000 1.194 256 F HN 0.007 nan 8.300 nan 0.000 0.443 257 A N 1.699 124.634 122.820 0.191 0.000 1.884 257 A HA -0.298 4.022 4.320 0.001 0.000 0.219 257 A C 2.312 179.970 177.584 0.124 0.000 1.197 257 A CA 2.655 54.766 52.037 0.123 0.000 0.637 257 A CB -1.456 17.608 19.000 0.106 0.000 0.827 257 A HN 1.065 nan 8.150 nan 0.000 0.450 258 C N -0.995 118.391 119.300 0.142 0.000 2.396 258 C HA -0.224 4.237 4.460 0.001 0.000 0.277 258 C C 2.538 177.584 174.990 0.094 0.000 1.231 258 C CA 1.260 60.340 59.018 0.103 0.000 1.775 258 C CB -1.968 25.818 27.740 0.076 0.000 2.036 258 C HN 0.678 nan 8.230 nan 0.000 0.484 259 Q N 0.793 120.669 119.800 0.127 0.000 2.135 259 Q HA -0.236 4.104 4.340 0.001 0.000 0.204 259 Q C 2.444 178.485 176.000 0.069 0.000 0.981 259 Q CA 1.900 57.764 55.803 0.102 0.000 0.856 259 Q CB -0.355 28.458 28.738 0.125 0.000 0.902 259 Q HN 0.786 nan 8.270 nan 0.000 0.425 260 R N 1.324 121.863 120.500 0.066 0.000 2.080 260 R HA -0.181 4.160 4.340 0.001 0.000 0.236 260 R C 1.146 177.474 176.300 0.046 0.000 1.137 260 R CA 2.218 58.346 56.100 0.047 0.000 0.943 260 R CB -0.058 30.268 30.300 0.044 0.000 0.846 260 R HN 0.268 nan 8.270 nan 0.000 0.431 261 D N -1.190 119.243 120.400 0.054 0.000 2.350 261 D HA 0.085 4.726 4.640 0.001 0.000 0.216 261 D C 1.008 177.331 176.300 0.038 0.000 0.968 261 D CA 1.096 55.125 54.000 0.049 0.000 0.894 261 D CB 0.090 40.925 40.800 0.058 0.000 0.909 261 D HN 0.545 nan 8.370 nan 0.000 0.520 262 G N -0.015 108.809 108.800 0.039 0.000 2.168 262 G HA2 -0.279 3.682 3.960 0.001 0.000 0.257 262 G HA3 -0.279 3.682 3.960 0.001 0.000 0.257 262 G C 0.115 175.028 174.900 0.023 0.000 0.997 262 G CA 0.211 45.329 45.100 0.030 0.000 0.708 262 G HN 0.341 nan 8.290 nan 0.000 0.520 263 V N 1.132 121.062 119.914 0.027 0.000 2.347 263 V HA 0.658 4.778 4.120 0.001 0.000 0.280 263 V C 0.663 176.764 176.094 0.012 0.000 1.021 263 V CA 0.188 62.496 62.300 0.013 0.000 0.847 263 V CB 1.654 33.484 31.823 0.011 0.000 0.990 263 V HN 0.577 nan 8.190 nan 0.000 0.444 264 T N 7.238 121.790 114.554 -0.003 0.000 2.744 264 T HA 0.524 4.875 4.350 0.001 0.000 0.291 264 T C -1.913 172.772 174.700 -0.024 0.000 0.957 264 T CA -1.625 60.467 62.100 -0.014 0.000 1.002 264 T CB 1.498 70.354 68.868 -0.020 0.000 0.919 264 T HN 0.540 nan 8.240 nan 0.000 0.468 265 P HA 0.330 nan 4.420 nan 0.000 0.275 265 P C 0.175 177.450 177.300 -0.041 0.000 1.266 265 P CA -0.273 62.811 63.100 -0.027 0.000 0.793 265 P CB 0.902 32.593 31.700 -0.015 0.000 1.074 266 D N -0.595 119.782 120.400 -0.037 0.000 2.149 266 D HA 0.064 4.705 4.640 0.001 0.000 0.201 266 D C 0.753 177.015 176.300 -0.063 0.000 0.972 266 D CA 1.454 55.426 54.000 -0.047 0.000 0.835 266 D CB 0.218 40.996 40.800 -0.036 0.000 0.966 266 D HN 0.366 nan 8.370 nan 0.000 0.476 267 I N 0.290 120.823 120.570 -0.062 0.000 2.722 267 I HA 0.289 4.459 4.170 0.001 0.000 0.295 267 I C -1.155 174.917 176.117 -0.076 0.000 1.161 267 I CA -1.099 60.152 61.300 -0.082 0.000 1.032 267 I CB 2.922 40.869 38.000 -0.089 0.000 1.244 267 I HN -0.232 nan 8.210 nan 0.000 0.421 268 L N 4.374 125.536 121.223 -0.102 0.000 2.354 268 L HA 0.837 5.178 4.340 0.001 0.000 0.269 268 L C -0.351 176.460 176.870 -0.099 0.000 1.005 268 L CA 0.182 54.957 54.840 -0.107 0.000 0.819 268 L CB 2.237 44.184 42.059 -0.186 0.000 1.311 268 L HN 0.779 nan 8.230 nan 0.000 0.423 269 T N 2.653 117.172 114.554 -0.058 0.000 2.861 269 T HA 0.762 5.113 4.350 0.001 0.000 0.287 269 T C -0.797 173.904 174.700 0.001 0.000 1.003 269 T CA -0.599 61.480 62.100 -0.035 0.000 0.977 269 T CB 1.047 69.902 68.868 -0.021 0.000 0.996 269 T HN 0.583 nan 8.240 nan 0.000 0.448 270 L N 2.655 123.880 121.223 0.004 0.000 2.333 270 L HA 0.805 5.145 4.340 0.001 0.000 0.263 270 L C 0.619 177.515 176.870 0.044 0.000 1.014 270 L CA -0.639 54.226 54.840 0.042 0.000 0.820 270 L CB 2.528 44.615 42.059 0.047 0.000 1.352 270 L HN 1.084 nan 8.230 nan 0.000 0.421 271 S N -0.437 115.299 115.700 0.059 0.000 6.462 271 S HA 0.069 4.539 4.470 0.001 0.000 0.096 271 S C 1.035 175.664 174.600 0.049 0.000 1.299 271 S CA -0.279 57.951 58.200 0.051 0.000 1.233 271 S CB -0.027 63.209 63.200 0.060 0.000 1.853 271 S HN 0.466 nan 8.310 nan 0.000 0.591 272 K N 2.131 122.565 120.400 0.057 0.000 2.015 272 K HA -0.146 4.174 4.320 0.001 0.000 0.220 272 K C 2.331 178.948 176.600 0.028 0.000 1.055 272 K CA 2.350 58.664 56.287 0.045 0.000 0.951 272 K CB -1.395 31.135 32.500 0.050 0.000 0.725 272 K HN 0.738 nan 8.250 nan 0.000 0.449 273 T N -0.123 114.449 114.554 0.031 0.000 2.962 273 T HA -0.042 4.308 4.350 0.001 0.000 0.270 273 T C 1.822 176.530 174.700 0.014 0.000 1.088 273 T CA 0.793 62.901 62.100 0.014 0.000 1.127 273 T CB -0.153 68.726 68.868 0.019 0.000 0.883 273 T HN 0.117 nan 8.240 nan 0.000 0.493 274 L N 1.923 123.166 121.223 0.032 0.000 2.072 274 L HA 0.380 4.721 4.340 0.001 0.000 0.205 274 L C 2.493 179.367 176.870 0.006 0.000 1.079 274 L CA 1.899 56.757 54.840 0.029 0.000 0.752 274 L CB -1.025 41.061 42.059 0.046 0.000 0.906 274 L HN 0.362 nan 8.230 nan 0.000 0.436 275 G N -1.842 106.961 108.800 0.006 0.000 2.880 275 G HA2 0.197 4.157 3.960 0.001 0.000 0.209 275 G HA3 0.197 4.157 3.960 0.001 0.000 0.209 275 G C 1.017 175.910 174.900 -0.011 0.000 1.157 275 G CA 0.368 45.465 45.100 -0.004 0.000 0.779 275 G HN 0.806 nan 8.290 nan 0.000 0.539 276 A N -1.306 121.505 122.820 -0.015 0.000 2.771 276 A HA 0.134 4.454 4.320 0.001 0.000 0.294 276 A C 1.910 179.477 177.584 -0.029 0.000 1.500 276 A CA 1.977 53.995 52.037 -0.030 0.000 0.829 276 A CB -1.447 17.527 19.000 -0.044 0.000 0.998 276 A HN 2.177 nan 8.150 nan 0.000 0.526 277 G N -3.234 105.560 108.800 -0.010 0.000 2.428 277 G HA2 0.116 4.077 3.960 0.001 0.000 0.199 277 G HA3 0.116 4.077 3.960 0.001 0.000 0.199 277 G C 0.052 174.963 174.900 0.018 0.000 1.005 277 G CA 0.224 45.327 45.100 0.005 0.000 0.671 277 G HN 1.830 nan 8.290 nan 0.000 0.485 278 L N 3.266 124.494 121.223 0.008 0.000 2.360 278 L HA 0.759 5.100 4.340 0.001 0.000 0.271 278 L C -1.925 174.944 176.870 -0.003 0.000 1.057 278 L CA -2.259 52.582 54.840 0.003 0.000 0.803 278 L CB 0.915 42.973 42.059 -0.002 0.000 1.207 278 L HN -0.019 nan 8.230 nan 0.000 0.445 279 P HA 0.211 nan 4.420 nan 0.000 0.268 279 P C -1.371 175.917 177.300 -0.021 0.000 1.541 279 P CA -0.160 62.931 63.100 -0.016 0.000 1.093 279 P CB 0.497 32.177 31.700 -0.034 0.000 1.551 280 L N 3.074 124.295 121.223 -0.004 0.000 2.431 280 L HA 0.834 5.175 4.340 0.001 0.000 0.266 280 L C -1.398 175.480 176.870 0.012 0.000 0.978 280 L CA -0.852 53.987 54.840 -0.001 0.000 0.822 280 L CB 2.140 44.193 42.059 -0.010 0.000 1.310 280 L HN 0.376 nan 8.230 nan 0.000 0.409 281 A N 3.241 126.071 122.820 0.016 0.000 2.530 281 A HA 1.099 5.419 4.320 0.001 0.000 0.288 281 A C -1.306 176.281 177.584 0.004 0.000 1.172 281 A CA -0.072 51.976 52.037 0.018 0.000 0.733 281 A CB 1.693 20.710 19.000 0.028 0.000 1.320 281 A HN 1.814 nan 8.150 nan 0.000 0.419 282 A N -0.637 122.179 122.820 -0.007 0.000 2.586 282 A HA 0.711 5.031 4.320 0.001 0.000 0.291 282 A C -1.034 176.517 177.584 -0.055 0.000 1.062 282 A CA 0.168 52.188 52.037 -0.029 0.000 0.666 282 A CB 0.431 19.417 19.000 -0.023 0.000 1.281 282 A HN 2.216 nan 8.150 nan 0.000 0.421 283 I N -1.667 118.856 120.570 -0.078 0.000 2.892 283 I HA 0.956 5.126 4.170 0.001 0.000 0.306 283 I C -1.241 174.814 176.117 -0.104 0.000 1.078 283 I CA -1.237 60.002 61.300 -0.101 0.000 1.032 283 I CB 2.307 40.229 38.000 -0.131 0.000 1.229 283 I HN 0.418 nan 8.210 nan 0.000 0.435 284 V N 2.343 122.185 119.914 -0.120 0.000 2.808 284 V HA 0.714 4.834 4.120 0.001 0.000 0.308 284 V C -0.316 175.704 176.094 -0.123 0.000 1.099 284 V CA -0.257 61.971 62.300 -0.121 0.000 0.920 284 V CB 1.744 33.481 31.823 -0.143 0.000 1.014 284 V HN 1.002 nan 8.190 nan 0.000 0.425 285 T N 1.303 115.789 114.554 -0.113 0.000 2.787 285 T HA 0.546 4.897 4.350 0.001 0.000 0.297 285 T C -0.233 174.415 174.700 -0.087 0.000 1.221 285 T CA 0.166 62.203 62.100 -0.106 0.000 1.006 285 T CB 1.979 70.772 68.868 -0.124 0.000 1.328 285 T HN 1.172 nan 8.240 nan 0.000 0.509 286 S N 1.077 116.731 115.700 -0.077 0.000 2.579 286 S HA 0.487 4.958 4.470 0.001 0.000 0.275 286 S C 1.691 176.256 174.600 -0.059 0.000 1.345 286 S CA 0.123 58.287 58.200 -0.061 0.000 1.031 286 S CB 0.764 63.933 63.200 -0.052 0.000 0.892 286 S HN 1.009 nan 8.310 nan 0.000 0.529 287 A N 2.632 125.424 122.820 -0.047 0.000 2.019 287 A HA 0.187 4.508 4.320 0.001 0.000 0.219 287 A C 2.355 179.919 177.584 -0.033 0.000 1.164 287 A CA 1.627 53.640 52.037 -0.041 0.000 0.644 287 A CB -1.534 17.447 19.000 -0.032 0.000 0.805 287 A HN 1.340 nan 8.150 nan 0.000 0.449 288 A N -0.021 122.781 122.820 -0.031 0.000 1.873 288 A HA -0.041 4.280 4.320 0.001 0.000 0.215 288 A C 2.099 179.667 177.584 -0.027 0.000 1.186 288 A CA 1.464 53.487 52.037 -0.023 0.000 0.616 288 A CB -0.552 18.435 19.000 -0.022 0.000 0.823 288 A HN 0.455 nan 8.150 nan 0.000 0.442 289 I N -0.549 119.995 120.570 -0.043 0.000 2.226 289 I HA -0.219 3.952 4.170 0.001 0.000 0.245 289 I C 2.641 178.718 176.117 -0.067 0.000 1.100 289 I CA 1.482 62.748 61.300 -0.056 0.000 1.374 289 I CB -0.177 37.778 38.000 -0.074 0.000 1.057 289 I HN 0.419 nan 8.210 nan 0.000 0.413 290 E N 0.922 121.078 120.200 -0.074 0.000 2.058 290 E HA -0.256 4.094 4.350 0.001 0.000 0.194 290 E C 2.006 178.603 176.600 -0.005 0.000 0.997 290 E CA 1.328 57.682 56.400 -0.077 0.000 0.801 290 E CB -0.017 29.637 29.700 -0.077 0.000 0.746 290 E HN 0.376 nan 8.360 nan 0.000 0.450 291 E N 0.563 120.768 120.200 0.009 0.000 2.070 291 E HA -0.207 4.143 4.350 0.001 0.000 0.197 291 E C 2.219 178.877 176.600 0.096 0.000 1.004 291 E CA 0.801 57.238 56.400 0.062 0.000 0.805 291 E CB -0.281 29.440 29.700 0.036 0.000 0.744 291 E HN 0.199 nan 8.360 nan 0.000 0.451 292 R N 0.016 120.541 120.500 0.042 0.000 2.075 292 R HA -0.064 4.277 4.340 0.001 0.000 0.232 292 R C 2.234 178.560 176.300 0.042 0.000 1.126 292 R CA 1.067 57.187 56.100 0.034 0.000 0.963 292 R CB -0.199 30.109 30.300 0.012 0.000 0.858 292 R HN 0.105 nan 8.270 nan 0.000 0.435 293 A N 0.022 122.859 122.820 0.028 0.000 1.908 293 A HA -0.260 4.061 4.320 0.001 0.000 0.218 293 A C 1.934 179.598 177.584 0.134 0.000 1.181 293 A CA 2.038 54.101 52.037 0.044 0.000 0.627 293 A CB -0.822 18.107 19.000 -0.118 0.000 0.818 293 A HN 0.555 nan 8.150 nan 0.000 0.445 294 H N -0.198 118.899 119.070 0.044 0.000 2.357 294 H HA -0.051 4.506 4.556 0.001 0.000 0.301 294 H C 1.887 177.250 175.328 0.058 0.000 1.082 294 H CA 1.985 58.074 56.048 0.069 0.000 1.342 294 H CB -0.170 29.619 29.762 0.046 0.000 1.389 294 H HN 0.610 nan 8.280 nan 0.000 0.511 295 E N -0.471 119.679 120.200 -0.084 0.000 2.153 295 E HA -0.112 4.238 4.350 0.001 0.000 0.194 295 E C 1.238 177.770 176.600 -0.113 0.000 0.988 295 E CA 0.685 57.008 56.400 -0.129 0.000 0.811 295 E CB 0.094 29.780 29.700 -0.023 0.000 0.746 295 E HN 0.305 nan 8.360 nan 0.000 0.466 296 L N -0.542 120.653 121.223 -0.046 0.000 2.599 296 L HA 0.147 4.488 4.340 0.001 0.000 0.230 296 L C 1.294 178.168 176.870 0.007 0.000 1.141 296 L CA 1.160 55.997 54.840 -0.005 0.000 0.877 296 L CB -0.393 41.689 42.059 0.038 0.000 1.009 296 L HN 0.251 nan 8.230 nan 0.000 0.447 297 G N -1.424 107.360 108.800 -0.027 0.000 2.137 297 G HA2 -0.371 3.590 3.960 0.001 0.000 0.237 297 G HA3 -0.371 3.590 3.960 0.001 0.000 0.237 297 G C 0.293 175.252 174.900 0.097 0.000 1.002 297 G CA 0.104 45.203 45.100 -0.001 0.000 0.702 297 G HN 0.326 nan 8.290 nan 0.000 0.515 298 Y N -0.354 119.968 120.300 0.037 0.000 2.895 298 Y HA 0.328 4.878 4.550 0.001 0.000 0.334 298 Y C 0.338 176.307 175.900 0.115 0.000 1.261 298 Y CA 0.672 58.824 58.100 0.086 0.000 1.560 298 Y CB 0.367 38.889 38.460 0.103 0.000 1.253 298 Y HN 0.639 nan 8.280 nan 0.000 0.582 299 L N 8.078 129.046 121.223 -0.425 0.000 2.436 299 L HA 0.538 4.879 4.340 0.001 0.000 0.268 299 L C -2.052 174.539 176.870 -0.465 0.000 0.974 299 L CA -0.669 53.987 54.840 -0.306 0.000 0.826 299 L CB 1.490 43.449 42.059 -0.168 0.000 1.291 299 L HN 0.649 nan 8.230 nan 0.000 0.406 300 F N 5.417 125.157 119.950 -0.351 0.000 2.883 300 F HA 0.330 4.857 4.527 0.001 0.000 0.383 300 F C -1.751 174.039 175.800 -0.016 0.000 1.342 300 F CA -0.346 57.521 58.000 -0.220 0.000 1.150 300 F CB 0.423 39.302 39.000 -0.201 0.000 2.189 300 F HN 0.500 nan 8.300 nan 0.000 0.593 301 Y N 2.855 123.038 120.300 -0.196 0.000 2.350 301 Y HA 0.509 5.060 4.550 0.001 0.000 0.340 301 Y C 0.555 176.359 175.900 -0.160 0.000 1.006 301 Y CA 0.089 58.114 58.100 -0.124 0.000 1.166 301 Y CB 0.853 39.231 38.460 -0.137 0.000 1.168 301 Y HN 0.470 nan 8.280 nan 0.000 0.502 302 T N -0.483 113.915 114.554 -0.259 0.000 2.807 302 T HA 0.300 4.651 4.350 0.001 0.000 0.277 302 T C 0.774 175.284 174.700 -0.317 0.000 1.006 302 T CA -0.276 61.703 62.100 -0.202 0.000 1.006 302 T CB 1.430 70.257 68.868 -0.067 0.000 1.274 302 T HN 0.456 nan 8.240 nan 0.000 0.569 303 T N 0.177 114.590 114.554 -0.234 0.000 2.896 303 T HA 0.013 4.364 4.350 0.001 0.000 0.263 303 T C 1.166 175.702 174.700 -0.274 0.000 1.050 303 T CA 1.012 62.926 62.100 -0.310 0.000 1.140 303 T CB -0.329 68.235 68.868 -0.507 0.000 0.877 303 T HN 0.696 nan 8.240 nan 0.000 0.457 304 H N -0.207 118.856 119.070 -0.013 0.000 2.652 304 H HA 0.389 4.945 4.556 0.001 0.000 0.274 304 H C 0.675 175.973 175.328 -0.050 0.000 1.021 304 H CA -0.419 55.638 56.048 0.015 0.000 1.187 304 H CB -0.189 29.603 29.762 0.050 0.000 1.505 304 H HN 0.153 nan 8.280 nan 0.000 0.530 305 V N 2.189 122.082 119.914 -0.035 0.000 2.584 305 V HA -0.102 4.019 4.120 0.001 0.000 0.303 305 V C 0.327 176.362 176.094 -0.098 0.000 1.035 305 V CA 0.805 63.069 62.300 -0.061 0.000 1.172 305 V CB 0.121 31.853 31.823 -0.152 0.000 0.896 305 V HN 0.661 nan 8.190 nan 0.000 0.486 306 S N 3.370 119.043 115.700 -0.045 0.000 3.749 306 S HA -0.163 4.308 4.470 0.001 0.000 0.348 306 S C -0.298 174.273 174.600 -0.048 0.000 1.045 306 S CA 0.965 59.134 58.200 -0.050 0.000 1.051 306 S CB -1.211 61.945 63.200 -0.074 0.000 0.898 306 S HN 1.019 nan 8.310 nan 0.000 0.472 307 D N 0.760 121.155 120.400 -0.009 0.000 2.198 307 D HA 0.411 5.052 4.640 0.001 0.000 0.245 307 D C -0.933 175.372 176.300 0.008 0.000 1.079 307 D CA -1.993 52.017 54.000 0.016 0.000 0.854 307 D CB 1.141 42.017 40.800 0.125 0.000 1.148 307 D HN 0.064 nan 8.370 nan 0.000 0.456 308 P HA -0.154 nan 4.420 nan 0.000 0.213 308 P C 1.749 179.023 177.300 -0.044 0.000 1.170 308 P CA 0.577 63.680 63.100 0.004 0.000 0.898 308 P CB 0.297 32.055 31.700 0.097 0.000 0.787 309 L N 0.011 121.265 121.223 0.052 0.000 1.963 309 L HA -0.163 4.178 4.340 0.001 0.000 0.220 309 L C -0.670 176.170 176.870 -0.050 0.000 1.076 309 L CA 3.263 58.127 54.840 0.040 0.000 0.772 309 L CB -2.053 40.075 42.059 0.114 0.000 0.892 309 L HN 0.016 nan 8.230 nan 0.000 0.435 310 P HA -0.224 nan 4.420 nan 0.000 0.214 310 P C 1.512 178.770 177.300 -0.069 0.000 1.163 310 P CA 2.189 65.265 63.100 -0.040 0.000 0.889 310 P CB -0.262 31.422 31.700 -0.026 0.000 0.790 311 A N 0.026 122.802 122.820 -0.073 0.000 1.903 311 A HA -0.266 4.055 4.320 0.001 0.000 0.219 311 A C 2.357 179.848 177.584 -0.155 0.000 1.191 311 A CA 2.781 54.763 52.037 -0.091 0.000 0.638 311 A CB -1.768 17.181 19.000 -0.084 0.000 0.823 311 A HN 0.218 nan 8.150 nan 0.000 0.451 312 A N -0.565 122.092 122.820 -0.271 0.000 1.859 312 A HA -0.107 4.214 4.320 0.001 0.000 0.217 312 A C 2.260 179.708 177.584 -0.226 0.000 1.198 312 A CA 2.315 54.096 52.037 -0.426 0.000 0.629 312 A CB -1.303 17.157 19.000 -0.900 0.000 0.830 312 A HN 0.599 nan 8.150 nan 0.000 0.446 313 V N 0.029 119.855 119.914 -0.146 0.000 2.250 313 V HA -0.278 3.842 4.120 0.001 0.000 0.250 313 V C 2.839 178.894 176.094 -0.065 0.000 1.060 313 V CA 2.300 64.555 62.300 -0.074 0.000 1.030 313 V CB -1.779 30.020 31.823 -0.040 0.000 0.643 313 V HN 0.648 nan 8.190 nan 0.000 0.445 314 G N -0.357 108.408 108.800 -0.059 0.000 2.440 314 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 314 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 314 G C 1.536 176.410 174.900 -0.044 0.000 1.154 314 G CA 1.073 46.149 45.100 -0.041 0.000 0.767 314 G HN 0.365 nan 8.290 nan 0.000 0.552 315 L N 1.050 122.238 121.223 -0.058 0.000 1.990 315 L HA -0.089 4.251 4.340 0.001 0.000 0.213 315 L C 2.779 179.620 176.870 -0.047 0.000 1.072 315 L CA 2.298 57.108 54.840 -0.050 0.000 0.755 315 L CB -0.916 41.103 42.059 -0.068 0.000 0.889 315 L HN 0.273 nan 8.230 nan 0.000 0.432 316 R N -0.686 119.780 120.500 -0.057 0.000 2.091 316 R HA -0.136 4.205 4.340 0.001 0.000 0.238 316 R C 2.056 178.311 176.300 -0.076 0.000 1.136 316 R CA 2.134 58.203 56.100 -0.053 0.000 0.959 316 R CB -1.109 29.165 30.300 -0.043 0.000 0.856 316 R HN 0.294 nan 8.270 nan 0.000 0.437 317 V N 0.992 120.860 119.914 -0.077 0.000 2.220 317 V HA -0.285 3.835 4.120 0.001 0.000 0.246 317 V C 2.508 178.553 176.094 -0.080 0.000 1.049 317 V CA 2.185 64.429 62.300 -0.093 0.000 1.003 317 V CB -0.700 31.083 31.823 -0.067 0.000 0.634 317 V HN 0.324 nan 8.190 nan 0.000 0.444 318 L N -0.192 121.000 121.223 -0.053 0.000 1.997 318 L HA -0.342 3.999 4.340 0.001 0.000 0.227 318 L C 2.440 179.281 176.870 -0.048 0.000 1.087 318 L CA 2.275 57.091 54.840 -0.040 0.000 0.797 318 L CB -1.014 41.037 42.059 -0.014 0.000 0.902 318 L HN 0.412 nan 8.230 nan 0.000 0.441 319 D N -0.341 120.034 120.400 -0.043 0.000 2.242 319 D HA -0.204 4.436 4.640 0.001 0.000 0.193 319 D C 2.141 178.411 176.300 -0.050 0.000 1.005 319 D CA 1.790 55.768 54.000 -0.037 0.000 0.856 319 D CB -0.681 40.101 40.800 -0.031 0.000 1.001 319 D HN 0.090 nan 8.370 nan 0.000 0.452 320 V N 0.644 120.514 119.914 -0.073 0.000 2.277 320 V HA -0.321 3.800 4.120 0.001 0.000 0.255 320 V C 2.670 178.720 176.094 -0.074 0.000 1.074 320 V CA 1.884 64.129 62.300 -0.092 0.000 1.058 320 V CB -0.877 30.827 31.823 -0.198 0.000 0.656 320 V HN 0.086 nan 8.190 nan 0.000 0.449 321 V N -0.423 119.441 119.914 -0.082 0.000 2.252 321 V HA -0.353 3.768 4.120 0.001 0.000 0.249 321 V C 2.521 178.579 176.094 -0.060 0.000 1.056 321 V CA 2.389 64.644 62.300 -0.075 0.000 1.022 321 V CB -0.895 30.876 31.823 -0.086 0.000 0.641 321 V HN 0.597 nan 8.190 nan 0.000 0.445 322 Q N 0.236 120.003 119.800 -0.054 0.000 1.975 322 Q HA -0.276 4.064 4.340 0.001 0.000 0.205 322 Q C 2.485 178.467 176.000 -0.030 0.000 0.990 322 Q CA 2.162 57.939 55.803 -0.043 0.000 0.845 322 Q CB -0.530 28.189 28.738 -0.032 0.000 0.913 322 Q HN 0.693 nan 8.270 nan 0.000 0.420 323 R N 0.882 121.368 120.500 -0.023 0.000 2.139 323 R HA -0.167 4.174 4.340 0.001 0.000 0.243 323 R C 0.423 176.720 176.300 -0.005 0.000 1.145 323 R CA 1.881 57.974 56.100 -0.011 0.000 0.976 323 R CB -0.003 30.294 30.300 -0.005 0.000 0.866 323 R HN 0.147 nan 8.270 nan 0.000 0.449 324 D N -0.443 119.952 120.400 -0.010 0.000 2.340 324 D HA 0.149 4.790 4.640 0.001 0.000 0.217 324 D C 0.540 176.836 176.300 -0.007 0.000 1.081 324 D CA 0.829 54.830 54.000 0.001 0.000 0.842 324 D CB 0.680 41.491 40.800 0.019 0.000 0.934 324 D HN 0.488 nan 8.370 nan 0.000 0.511 325 G N 1.441 110.230 108.800 -0.018 0.000 2.341 325 G HA2 -0.323 3.637 3.960 0.001 0.000 0.292 325 G HA3 -0.323 3.637 3.960 0.001 0.000 0.292 325 G C 1.039 175.922 174.900 -0.029 0.000 1.021 325 G CA 0.485 45.571 45.100 -0.024 0.000 0.905 325 G HN 0.427 nan 8.290 nan 0.000 0.508 326 L N -0.932 120.270 121.223 -0.035 0.000 2.275 326 L HA -0.046 4.294 4.340 0.001 0.000 0.215 326 L C 2.842 179.680 176.870 -0.053 0.000 1.119 326 L CA 0.746 55.563 54.840 -0.039 0.000 0.790 326 L CB -0.484 41.551 42.059 -0.041 0.000 0.919 326 L HN 0.256 nan 8.230 nan 0.000 0.443 327 V N 0.513 120.387 119.914 -0.067 0.000 2.332 327 V HA -0.330 3.791 4.120 0.001 0.000 0.248 327 V C 2.776 178.835 176.094 -0.059 0.000 1.055 327 V CA 2.037 64.290 62.300 -0.079 0.000 1.038 327 V CB -0.802 30.960 31.823 -0.103 0.000 0.651 327 V HN 0.523 nan 8.190 nan 0.000 0.450 328 A N 0.347 123.140 122.820 -0.045 0.000 1.872 328 A HA -0.183 4.138 4.320 0.001 0.000 0.214 328 A C 2.279 179.845 177.584 -0.030 0.000 1.187 328 A CA 1.641 53.657 52.037 -0.034 0.000 0.614 328 A CB -0.527 18.457 19.000 -0.026 0.000 0.826 328 A HN 0.472 nan 8.150 nan 0.000 0.442 329 R N 0.593 121.076 120.500 -0.028 0.000 2.154 329 R HA -0.135 4.206 4.340 0.001 0.000 0.248 329 R C 1.859 178.140 176.300 -0.033 0.000 1.155 329 R CA 2.026 58.112 56.100 -0.023 0.000 0.979 329 R CB -0.750 29.540 30.300 -0.017 0.000 0.869 329 R HN 0.390 nan 8.270 nan 0.000 0.452 330 A N 0.050 122.844 122.820 -0.043 0.000 2.067 330 A HA -0.064 4.256 4.320 0.001 0.000 0.219 330 A C 1.612 179.166 177.584 -0.048 0.000 1.158 330 A CA 1.372 53.377 52.037 -0.053 0.000 0.661 330 A CB -0.380 18.583 19.000 -0.062 0.000 0.801 330 A HN 0.482 nan 8.150 nan 0.000 0.452 331 N N -0.156 118.520 118.700 -0.039 0.000 2.336 331 N HA -0.043 4.698 4.740 0.001 0.000 0.177 331 N C 1.737 177.231 175.510 -0.027 0.000 1.018 331 N CA 1.213 54.244 53.050 -0.032 0.000 0.878 331 N CB -0.155 38.316 38.487 -0.026 0.000 0.997 331 N HN 0.259 nan 8.380 nan 0.000 0.433 332 V N 2.752 122.652 119.914 -0.024 0.000 2.216 332 V HA -0.216 3.904 4.120 0.001 0.000 0.242 332 V C 2.549 178.631 176.094 -0.020 0.000 1.042 332 V CA 1.450 63.740 62.300 -0.017 0.000 0.991 332 V CB -0.442 31.373 31.823 -0.013 0.000 0.633 332 V HN 0.232 nan 8.190 nan 0.000 0.449 333 M N 0.404 119.989 119.600 -0.025 0.000 2.149 333 M HA -0.116 4.364 4.480 0.001 0.000 0.261 333 M C 2.302 178.573 176.300 -0.048 0.000 1.064 333 M CA 2.110 57.392 55.300 -0.032 0.000 1.102 333 M CB -1.728 30.848 32.600 -0.041 0.000 1.369 333 M HN 0.516 nan 8.290 nan 0.000 0.408 334 G N 0.078 108.845 108.800 -0.055 0.000 2.432 334 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 334 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 334 G C 1.214 176.087 174.900 -0.045 0.000 1.135 334 G CA 1.389 46.451 45.100 -0.064 0.000 0.767 334 G HN 0.473 nan 8.290 nan 0.000 0.550 335 D N -0.426 119.956 120.400 -0.030 0.000 2.183 335 D HA -0.007 4.633 4.640 0.001 0.000 0.205 335 D C 2.385 178.677 176.300 -0.012 0.000 0.962 335 D CA 0.387 54.376 54.000 -0.018 0.000 0.849 335 D CB -0.130 40.663 40.800 -0.012 0.000 0.978 335 D HN 0.193 nan 8.370 nan 0.000 0.488 336 R N 0.166 120.660 120.500 -0.012 0.000 2.083 336 R HA -0.113 4.227 4.340 0.001 0.000 0.237 336 R C 2.382 178.684 176.300 0.005 0.000 1.137 336 R CA 0.895 56.995 56.100 0.000 0.000 0.951 336 R CB -0.573 29.730 30.300 0.006 0.000 0.851 336 R HN 0.282 nan 8.270 nan 0.000 0.434 337 L N 0.717 121.934 121.223 -0.011 0.000 1.971 337 L HA -0.289 4.051 4.340 0.001 0.000 0.215 337 L C 2.783 179.653 176.870 -0.001 0.000 1.072 337 L CA 1.815 56.648 54.840 -0.011 0.000 0.758 337 L CB -0.472 41.539 42.059 -0.080 0.000 0.889 337 L HN 0.334 nan 8.230 nan 0.000 0.433 338 R N -0.428 120.064 120.500 -0.014 0.000 2.132 338 R HA -0.251 4.089 4.340 0.001 0.000 0.233 338 R C 2.390 178.695 176.300 0.008 0.000 1.125 338 R CA 2.227 58.324 56.100 -0.005 0.000 0.914 338 R CB -0.270 30.024 30.300 -0.010 0.000 0.845 338 R HN 0.357 nan 8.270 nan 0.000 0.431 339 R N -0.898 119.607 120.500 0.009 0.000 2.196 339 R HA -0.232 4.108 4.340 0.001 0.000 0.244 339 R C 2.356 178.671 176.300 0.025 0.000 1.121 339 R CA 1.883 57.991 56.100 0.015 0.000 0.930 339 R CB -1.323 28.985 30.300 0.013 0.000 0.890 339 R HN 0.529 nan 8.270 nan 0.000 0.435 340 G N 1.529 110.347 108.800 0.031 0.000 2.556 340 G HA2 -0.278 3.682 3.960 0.001 0.000 0.220 340 G HA3 -0.278 3.682 3.960 0.001 0.000 0.220 340 G C 1.575 176.506 174.900 0.052 0.000 1.156 340 G CA 1.168 46.295 45.100 0.045 0.000 0.766 340 G HN 0.194 nan 8.290 nan 0.000 0.583 341 L N -0.300 120.948 121.223 0.042 0.000 2.042 341 L HA -0.079 4.261 4.340 0.001 0.000 0.210 341 L C 2.901 179.801 176.870 0.050 0.000 1.076 341 L CA 0.768 55.634 54.840 0.043 0.000 0.749 341 L CB -0.515 41.560 42.059 0.026 0.000 0.893 341 L HN 0.193 nan 8.230 nan 0.000 0.432 342 L N -0.758 120.487 121.223 0.036 0.000 2.141 342 L HA -0.171 4.170 4.340 0.001 0.000 0.209 342 L C 2.111 179.008 176.870 0.045 0.000 1.094 342 L CA 0.982 55.842 54.840 0.034 0.000 0.763 342 L CB -0.685 41.386 42.059 0.020 0.000 0.908 342 L HN 0.159 nan 8.230 nan 0.000 0.437 343 D N 0.319 120.747 120.400 0.046 0.000 2.092 343 D HA -0.160 4.480 4.640 0.001 0.000 0.193 343 D C 2.383 178.728 176.300 0.074 0.000 0.994 343 D CA 1.357 55.383 54.000 0.043 0.000 0.828 343 D CB -0.277 40.547 40.800 0.040 0.000 0.963 343 D HN 0.232 nan 8.370 nan 0.000 0.450 344 L N 0.137 121.443 121.223 0.140 0.000 2.046 344 L HA -0.124 4.217 4.340 0.001 0.000 0.208 344 L C 2.558 179.619 176.870 0.317 0.000 1.077 344 L CA 0.790 55.822 54.840 0.321 0.000 0.747 344 L CB -0.422 41.813 42.059 0.293 0.000 0.896 344 L HN 0.066 nan 8.230 nan 0.000 0.432 345 M N -0.060 119.643 119.600 0.171 0.000 2.195 345 M HA -0.264 4.217 4.480 0.001 0.000 0.260 345 M C 2.052 178.406 176.300 0.091 0.000 1.066 345 M CA 1.780 57.161 55.300 0.134 0.000 1.089 345 M CB -0.011 32.631 32.600 0.070 0.000 1.377 345 M HN 0.206 nan 8.290 nan 0.000 0.411 346 E N -0.432 119.795 120.200 0.045 0.000 2.072 346 E HA -0.147 4.203 4.350 0.001 0.000 0.190 346 E C 2.114 178.665 176.600 -0.081 0.000 0.982 346 E CA 0.904 57.298 56.400 -0.010 0.000 0.803 346 E CB 0.117 29.805 29.700 -0.020 0.000 0.755 346 E HN 0.505 nan 8.360 nan 0.000 0.453 347 R N -0.255 120.143 120.500 -0.169 0.000 2.062 347 R HA -0.033 4.307 4.340 0.001 0.000 0.231 347 R C 0.180 176.174 176.300 -0.511 0.000 1.136 347 R CA 0.769 56.569 56.100 -0.500 0.000 0.948 347 R CB -0.109 29.581 30.300 -1.018 0.000 0.845 347 R HN 0.054 nan 8.270 nan 0.000 0.430 348 F N 0.865 120.818 119.950 0.005 0.000 2.411 348 F HA 0.130 4.658 4.527 0.001 0.000 0.352 348 F C 1.278 177.087 175.800 0.016 0.000 1.123 348 F CA -0.892 57.115 58.000 0.010 0.000 1.044 348 F CB 0.976 39.982 39.000 0.010 0.000 1.135 348 F HN -0.052 nan 8.300 nan 0.000 0.461 349 D N 2.229 122.736 120.400 0.178 0.000 2.219 349 D HA -0.172 4.469 4.640 0.001 0.000 0.205 349 D C 1.976 178.348 176.300 0.119 0.000 0.970 349 D CA 1.266 55.336 54.000 0.116 0.000 0.851 349 D CB 0.179 41.026 40.800 0.079 0.000 0.943 349 D HN 0.675 nan 8.370 nan 0.000 0.488 350 C N 0.278 119.661 119.300 0.138 0.000 2.449 350 C HA 0.206 4.666 4.460 0.001 0.000 0.283 350 C C 1.539 176.589 174.990 0.100 0.000 1.453 350 C CA -0.697 58.384 59.018 0.105 0.000 1.779 350 C CB -1.666 26.127 27.740 0.089 0.000 1.779 350 C HN 0.171 nan 8.230 nan 0.000 0.546 351 I N 2.536 123.174 120.570 0.114 0.000 2.278 351 I HA 0.227 4.398 4.170 0.001 0.000 0.296 351 I C 1.625 177.782 176.117 0.067 0.000 1.121 351 I CA 0.302 61.657 61.300 0.091 0.000 1.267 351 I CB 0.501 38.568 38.000 0.110 0.000 1.447 351 I HN 0.435 nan 8.210 nan 0.000 0.509 352 G N 4.415 113.248 108.800 0.054 0.000 2.453 352 G HA2 -0.073 3.888 3.960 0.001 0.000 0.215 352 G HA3 -0.073 3.888 3.960 0.001 0.000 0.215 352 G C 0.107 174.945 174.900 -0.103 0.000 1.147 352 G CA 0.355 45.489 45.100 0.056 0.000 0.802 352 G HN 0.555 nan 8.290 nan 0.000 0.535 353 D N -1.371 118.901 120.400 -0.213 0.000 2.837 353 D HA 0.456 5.096 4.640 0.001 0.000 0.220 353 D C -1.267 174.926 176.300 -0.178 0.000 1.236 353 D CA -0.417 53.367 54.000 -0.359 0.000 0.838 353 D CB 2.415 42.613 40.800 -1.004 0.000 1.647 353 D HN -0.098 nan 8.370 nan 0.000 0.486 354 V N 4.219 124.060 119.914 -0.123 0.000 2.376 354 V HA 0.659 4.779 4.120 0.001 0.000 0.287 354 V C -0.074 175.990 176.094 -0.051 0.000 1.015 354 V CA -0.563 61.704 62.300 -0.056 0.000 0.834 354 V CB 1.052 32.863 31.823 -0.020 0.000 1.001 354 V HN 0.632 nan 8.190 nan 0.000 0.428 355 R N 3.292 123.770 120.500 -0.037 0.000 2.831 355 R HA 0.984 5.324 4.340 0.001 0.000 0.266 355 R C 0.026 176.318 176.300 -0.013 0.000 1.051 355 R CA -0.216 55.872 56.100 -0.020 0.000 0.943 355 R CB 2.194 32.489 30.300 -0.009 0.000 1.228 355 R HN 1.137 nan 8.270 nan 0.000 0.467 356 G N 0.253 109.048 108.800 -0.009 0.000 2.298 356 G HA2 0.125 4.085 3.960 0.001 0.000 0.309 356 G HA3 0.125 4.085 3.960 0.001 0.000 0.309 356 G C -1.645 173.246 174.900 -0.015 0.000 1.279 356 G CA -0.478 44.612 45.100 -0.015 0.000 1.042 356 G HN 0.737 nan 8.290 nan 0.000 0.480 357 R N -0.939 119.549 120.500 -0.020 0.000 2.604 357 R HA 0.591 4.932 4.340 0.001 0.000 0.270 357 R C 0.901 177.182 176.300 -0.030 0.000 1.052 357 R CA 1.189 57.277 56.100 -0.019 0.000 0.902 357 R CB 1.351 31.645 30.300 -0.010 0.000 1.233 357 R HN 2.706 nan 8.270 nan 0.000 0.455 358 G N 2.066 110.846 108.800 -0.033 0.000 2.611 358 G HA2 -0.343 3.618 3.960 0.001 0.000 0.301 358 G HA3 -0.343 3.618 3.960 0.001 0.000 0.301 358 G C -0.465 174.397 174.900 -0.064 0.000 1.233 358 G CA 0.325 45.398 45.100 -0.045 0.000 0.993 358 G HN 0.448 nan 8.290 nan 0.000 0.553 359 L N 0.265 121.442 121.223 -0.076 0.000 3.001 359 L HA 0.666 5.007 4.340 0.001 0.000 0.234 359 L C -0.010 176.798 176.870 -0.104 0.000 1.321 359 L CA 0.163 54.938 54.840 -0.108 0.000 1.138 359 L CB 0.175 42.165 42.059 -0.115 0.000 1.503 359 L HN 0.559 nan 8.230 nan 0.000 0.487 360 L N 0.834 122.010 121.223 -0.077 0.000 2.529 360 L HA 0.543 4.884 4.340 0.001 0.000 0.258 360 L C -1.312 175.528 176.870 -0.050 0.000 1.032 360 L CA -0.079 54.724 54.840 -0.061 0.000 0.899 360 L CB 0.971 43.007 42.059 -0.039 0.000 1.174 360 L HN 0.013 nan 8.230 nan 0.000 0.458 361 L N 2.606 123.796 121.223 -0.054 0.000 2.333 361 L HA 1.039 5.380 4.340 0.001 0.000 0.263 361 L C 0.272 177.138 176.870 -0.007 0.000 1.014 361 L CA -0.744 54.077 54.840 -0.033 0.000 0.820 361 L CB 2.289 44.323 42.059 -0.041 0.000 1.352 361 L HN 0.549 nan 8.230 nan 0.000 0.421 362 G N -0.016 108.788 108.800 0.006 0.000 2.667 362 G HA2 0.652 4.612 3.960 0.001 0.000 0.298 362 G HA3 0.652 4.612 3.960 0.001 0.000 0.298 362 G C -1.683 173.242 174.900 0.042 0.000 1.377 362 G CA -0.491 44.630 45.100 0.035 0.000 0.964 362 G HN 0.282 nan 8.290 nan 0.000 0.493 363 V N 0.916 120.891 119.914 0.102 0.000 2.378 363 V HA 0.434 4.555 4.120 0.001 0.000 0.288 363 V C -0.013 176.139 176.094 0.097 0.000 1.016 363 V CA -0.881 61.476 62.300 0.096 0.000 0.840 363 V CB 1.307 33.225 31.823 0.158 0.000 0.994 363 V HN 0.883 nan 8.190 nan 0.000 0.431 364 E N 5.181 125.388 120.200 0.013 0.000 2.194 364 E HA 0.378 4.729 4.350 0.001 0.000 0.284 364 E C -0.748 175.894 176.600 0.071 0.000 1.035 364 E CA -0.605 55.816 56.400 0.034 0.000 0.836 364 E CB 0.807 30.514 29.700 0.010 0.000 1.070 364 E HN 0.559 nan 8.360 nan 0.000 0.401 365 I N 6.329 126.948 120.570 0.082 0.000 2.325 365 I HA 0.198 4.368 4.170 0.001 0.000 0.291 365 I C 0.097 176.266 176.117 0.087 0.000 1.019 365 I CA -0.631 60.721 61.300 0.088 0.000 1.302 365 I CB 0.367 38.417 38.000 0.082 0.000 1.401 365 I HN 0.361 nan 8.210 nan 0.000 0.485 366 V N 4.177 124.148 119.914 0.095 0.000 3.001 366 V HA 0.549 4.669 4.120 0.001 0.000 0.314 366 V C 0.790 176.926 176.094 0.071 0.000 1.099 366 V CA -0.958 61.396 62.300 0.091 0.000 0.989 366 V CB 2.395 34.289 31.823 0.118 0.000 1.040 366 V HN 0.603 nan 8.190 nan 0.000 0.434 367 K N 1.012 121.446 120.400 0.056 0.000 2.044 367 K HA 0.093 4.414 4.320 0.001 0.000 0.204 367 K C 0.029 176.657 176.600 0.047 0.000 1.049 367 K CA 1.451 57.765 56.287 0.045 0.000 0.945 367 K CB 0.018 32.537 32.500 0.031 0.000 0.724 367 K HN 1.033 nan 8.250 nan 0.000 0.440 368 D N -1.042 119.385 120.400 0.046 0.000 2.947 368 D HA 0.141 4.781 4.640 0.001 0.000 0.224 368 D C 0.254 176.585 176.300 0.052 0.000 1.230 368 D CA -0.568 53.459 54.000 0.045 0.000 0.871 368 D CB 1.304 42.122 40.800 0.030 0.000 1.671 368 D HN -0.217 nan 8.370 nan 0.000 0.507 369 R N 0.854 121.390 120.500 0.059 0.000 2.096 369 R HA -0.079 4.261 4.340 0.001 0.000 0.235 369 R C 1.972 178.300 176.300 0.047 0.000 1.127 369 R CA 1.255 57.398 56.100 0.072 0.000 0.968 369 R CB -0.046 30.296 30.300 0.070 0.000 0.861 369 R HN 0.487 nan 8.270 nan 0.000 0.440 370 R N -0.014 120.502 120.500 0.027 0.000 2.073 370 R HA -0.076 4.265 4.340 0.001 0.000 0.234 370 R C 2.006 178.300 176.300 -0.009 0.000 1.134 370 R CA 1.958 58.063 56.100 0.009 0.000 0.952 370 R CB -0.534 29.770 30.300 0.007 0.000 0.850 370 R HN 0.258 nan 8.270 nan 0.000 0.433 371 T N -0.398 114.152 114.554 -0.006 0.000 3.065 371 T HA 0.160 4.510 4.350 0.001 0.000 0.252 371 T C 0.307 174.985 174.700 -0.037 0.000 1.099 371 T CA -0.286 61.800 62.100 -0.024 0.000 1.063 371 T CB 0.148 69.007 68.868 -0.015 0.000 0.948 371 T HN 0.177 nan 8.240 nan 0.000 0.506 372 K N 1.464 121.856 120.400 -0.012 0.000 3.077 372 K HA -0.208 4.112 4.320 0.001 0.000 0.264 372 K C -0.117 176.476 176.600 -0.012 0.000 1.008 372 K CA 0.600 56.879 56.287 -0.012 0.000 0.740 372 K CB -1.518 30.882 32.500 -0.166 0.000 1.273 372 K HN 0.715 nan 8.250 nan 0.000 0.477 373 E N 1.515 121.720 120.200 0.008 0.000 2.180 373 E HA 0.170 4.520 4.350 0.001 0.000 0.283 373 E C -2.445 174.171 176.600 0.027 0.000 1.061 373 E CA -2.279 54.126 56.400 0.008 0.000 0.861 373 E CB 0.752 30.456 29.700 0.007 0.000 1.056 373 E HN -0.074 nan 8.360 nan 0.000 0.407 374 P HA -0.025 nan 4.420 nan 0.000 0.264 374 P C -1.224 176.092 177.300 0.026 0.000 1.183 374 P CA 0.165 63.286 63.100 0.034 0.000 0.763 374 P CB 0.854 32.568 31.700 0.025 0.000 0.807 375 A N 3.482 126.320 122.820 0.030 0.000 2.343 375 A HA 0.201 4.521 4.320 0.001 0.000 0.305 375 A C -0.095 177.494 177.584 0.009 0.000 1.308 375 A CA -0.422 51.630 52.037 0.025 0.000 0.949 375 A CB -0.321 18.700 19.000 0.036 0.000 1.148 375 A HN 0.407 nan 8.150 nan 0.000 0.545 376 D N 2.228 122.632 120.400 0.006 0.000 2.317 376 D HA 0.409 5.050 4.640 0.001 0.000 0.252 376 D C 1.351 177.650 176.300 -0.002 0.000 1.174 376 D CA 1.331 55.329 54.000 -0.003 0.000 0.866 376 D CB 1.434 42.234 40.800 -0.001 0.000 1.127 376 D HN 0.879 nan 8.370 nan 0.000 0.467 377 G N 1.853 110.647 108.800 -0.009 0.000 2.458 377 G HA2 -0.369 3.592 3.960 0.001 0.000 0.237 377 G HA3 -0.369 3.592 3.960 0.001 0.000 0.237 377 G C 1.067 175.970 174.900 0.004 0.000 1.113 377 G CA 0.403 45.499 45.100 -0.005 0.000 0.655 377 G HN 0.493 nan 8.290 nan 0.000 0.513 378 L N 2.223 123.453 121.223 0.011 0.000 1.971 378 L HA 0.145 4.485 4.340 0.001 0.000 0.215 378 L C 2.934 179.829 176.870 0.042 0.000 1.072 378 L CA 3.385 58.240 54.840 0.025 0.000 0.758 378 L CB -1.378 40.699 42.059 0.031 0.000 0.889 378 L HN 0.695 nan 8.230 nan 0.000 0.433 379 G N -1.019 107.794 108.800 0.021 0.000 2.574 379 G HA2 -0.366 3.594 3.960 0.001 0.000 0.220 379 G HA3 -0.366 3.594 3.960 0.001 0.000 0.220 379 G C 1.574 176.498 174.900 0.039 0.000 1.173 379 G CA 1.510 46.609 45.100 -0.001 0.000 0.772 379 G HN 0.731 nan 8.290 nan 0.000 0.585 380 A N 0.024 122.843 122.820 -0.002 0.000 1.968 380 A HA 0.099 4.419 4.320 0.001 0.000 0.217 380 A C 2.260 179.877 177.584 0.056 0.000 1.169 380 A CA 1.908 53.957 52.037 0.020 0.000 0.638 380 A CB -0.321 18.673 19.000 -0.011 0.000 0.812 380 A HN 0.386 nan 8.150 nan 0.000 0.446 381 K N -0.084 120.342 120.400 0.043 0.000 2.009 381 K HA -0.139 4.182 4.320 0.001 0.000 0.210 381 K C 1.859 178.488 176.600 0.047 0.000 1.049 381 K CA 1.755 58.061 56.287 0.031 0.000 0.929 381 K CB -0.415 32.095 32.500 0.018 0.000 0.714 381 K HN 0.558 nan 8.250 nan 0.000 0.440 382 I N 0.858 121.476 120.570 0.081 0.000 2.087 382 I HA -0.336 3.834 4.170 0.001 0.000 0.240 382 I C 2.222 178.391 176.117 0.088 0.000 1.054 382 I CA 1.784 63.120 61.300 0.060 0.000 1.311 382 I CB -1.440 36.637 38.000 0.128 0.000 1.024 382 I HN 0.257 nan 8.210 nan 0.000 0.402 383 T N 0.569 115.296 114.554 0.287 0.000 2.624 383 T HA -0.268 4.082 4.350 0.001 0.000 0.268 383 T C 2.047 176.808 174.700 0.103 0.000 1.041 383 T CA 1.730 64.001 62.100 0.284 0.000 1.159 383 T CB -0.468 68.583 68.868 0.304 0.000 0.863 383 T HN 0.314 nan 8.240 nan 0.000 0.434 384 R N 0.745 121.285 120.500 0.067 0.000 2.083 384 R HA -0.127 4.213 4.340 0.001 0.000 0.237 384 R C 2.428 178.730 176.300 0.002 0.000 1.137 384 R CA 1.432 57.547 56.100 0.026 0.000 0.951 384 R CB -0.128 30.181 30.300 0.015 0.000 0.851 384 R HN 0.416 nan 8.270 nan 0.000 0.434 385 E N 0.047 120.242 120.200 -0.009 0.000 2.110 385 E HA -0.191 4.160 4.350 0.001 0.000 0.193 385 E C 2.158 178.726 176.600 -0.053 0.000 0.988 385 E CA 1.049 57.430 56.400 -0.032 0.000 0.804 385 E CB -0.394 29.280 29.700 -0.043 0.000 0.745 385 E HN 0.428 nan 8.360 nan 0.000 0.458 386 C N 0.722 119.981 119.300 -0.068 0.000 2.413 386 C HA -0.159 4.302 4.460 0.001 0.000 0.276 386 C C 2.830 177.776 174.990 -0.074 0.000 1.236 386 C CA 1.031 59.987 59.018 -0.104 0.000 1.735 386 C CB -0.829 26.830 27.740 -0.135 0.000 2.031 386 C HN 0.403 nan 8.230 nan 0.000 0.474 387 M N 1.448 121.024 119.600 -0.039 0.000 2.080 387 M HA -0.125 4.355 4.480 0.001 0.000 0.260 387 M C 2.002 178.287 176.300 -0.025 0.000 1.068 387 M CA 1.671 56.957 55.300 -0.024 0.000 1.109 387 M CB -0.915 31.686 32.600 0.001 0.000 1.342 387 M HN 0.362 nan 8.290 nan 0.000 0.405 388 N N 0.275 118.961 118.700 -0.024 0.000 2.018 388 N HA -0.182 4.559 4.740 0.001 0.000 0.196 388 N C 1.705 177.198 175.510 -0.029 0.000 1.043 388 N CA 1.967 55.003 53.050 -0.023 0.000 0.856 388 N CB -0.546 37.927 38.487 -0.024 0.000 1.042 388 N HN 0.424 nan 8.380 nan 0.000 0.423 389 L N 0.179 121.377 121.223 -0.042 0.000 2.447 389 L HA -0.106 4.235 4.340 0.001 0.000 0.225 389 L C 1.131 177.972 176.870 -0.047 0.000 1.148 389 L CA 0.805 55.615 54.840 -0.050 0.000 0.808 389 L CB -0.692 41.324 42.059 -0.071 0.000 0.928 389 L HN 0.367 nan 8.230 nan 0.000 0.448 390 G N 0.953 109.727 108.800 -0.043 0.000 2.204 390 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 390 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 390 G C -0.526 174.347 174.900 -0.044 0.000 1.062 390 G CA 0.148 45.231 45.100 -0.028 0.000 0.798 390 G HN 0.198 nan 8.290 nan 0.000 0.496 391 L N 0.669 121.834 121.223 -0.097 0.000 2.372 391 L HA 0.843 5.183 4.340 0.001 0.000 0.274 391 L C 0.167 176.954 176.870 -0.139 0.000 0.988 391 L CA -0.548 54.181 54.840 -0.184 0.000 0.833 391 L CB 1.958 43.839 42.059 -0.296 0.000 1.236 391 L HN 0.357 nan 8.230 nan 0.000 0.410 392 S N 6.413 122.050 115.700 -0.104 0.000 2.499 392 S HA 0.723 5.193 4.470 0.001 0.000 0.275 392 S C -0.189 174.429 174.600 0.030 0.000 1.257 392 S CA -0.470 57.719 58.200 -0.019 0.000 1.050 392 S CB 0.109 63.319 63.200 0.017 0.000 0.937 392 S HN 0.679 nan 8.310 nan 0.000 0.490 393 M N 3.840 123.483 119.600 0.072 0.000 2.691 393 M HA 0.485 4.965 4.480 0.001 0.000 0.293 393 M C -0.787 175.633 176.300 0.200 0.000 1.259 393 M CA -0.834 54.563 55.300 0.162 0.000 0.827 393 M CB 2.053 34.734 32.600 0.136 0.000 1.753 393 M HN 0.723 nan 8.290 nan 0.000 0.465 394 N N 1.487 120.350 118.700 0.271 0.000 2.478 394 N HA 0.449 5.190 4.740 0.001 0.000 0.291 394 N C -2.378 173.143 175.510 0.019 0.000 1.090 394 N CA -0.305 52.822 53.050 0.127 0.000 0.911 394 N CB 2.360 40.882 38.487 0.058 0.000 1.546 394 N HN 0.673 nan 8.380 nan 0.000 0.500 395 I N 3.349 123.812 120.570 -0.180 0.000 2.493 395 I HA 0.551 4.722 4.170 0.001 0.000 0.298 395 I C -1.023 174.933 176.117 -0.269 0.000 0.998 395 I CA -0.679 60.341 61.300 -0.467 0.000 1.137 395 I CB 1.621 39.175 38.000 -0.743 0.000 1.310 395 I HN 0.251 nan 8.210 nan 0.000 0.445 396 V N 5.940 125.705 119.914 -0.249 0.000 2.540 396 V HA 0.642 4.763 4.120 0.001 0.000 0.302 396 V C -1.170 174.838 176.094 -0.143 0.000 1.035 396 V CA -0.282 61.917 62.300 -0.168 0.000 0.873 396 V CB 1.542 33.281 31.823 -0.140 0.000 0.992 396 V HN 0.940 nan 8.190 nan 0.000 0.428 397 Q N 5.155 124.888 119.800 -0.112 0.000 2.347 397 Q HA 0.576 4.917 4.340 0.001 0.000 0.265 397 Q C -1.393 174.578 176.000 -0.048 0.000 1.024 397 Q CA -0.592 55.163 55.803 -0.079 0.000 0.731 397 Q CB 1.633 30.324 28.738 -0.078 0.000 1.245 397 Q HN 0.906 nan 8.270 nan 0.000 0.472 398 L N 3.341 124.546 121.223 -0.030 0.000 2.440 398 L HA 0.654 4.995 4.340 0.001 0.000 0.262 398 L C -1.971 174.903 176.870 0.008 0.000 1.072 398 L CA -2.059 52.778 54.840 -0.006 0.000 0.798 398 L CB 0.397 42.456 42.059 -0.000 0.000 1.307 398 L HN 0.562 nan 8.230 nan 0.000 0.475 399 P HA 0.288 nan 4.420 nan 0.000 0.278 399 P C 0.480 177.801 177.300 0.034 0.000 1.238 399 P CA 0.210 63.325 63.100 0.025 0.000 0.794 399 P CB 0.977 32.697 31.700 0.032 0.000 0.955 400 G N 0.686 109.504 108.800 0.030 0.000 2.234 400 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 400 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 400 G C 0.012 174.939 174.900 0.045 0.000 0.987 400 G CA 0.435 45.555 45.100 0.033 0.000 0.625 400 G HN 0.665 nan 8.290 nan 0.000 0.532 401 M N 0.819 120.456 119.600 0.062 0.000 2.446 401 M HA 0.626 5.106 4.480 0.001 0.000 0.294 401 M C 0.523 176.873 176.300 0.083 0.000 1.158 401 M CA 0.127 55.487 55.300 0.100 0.000 0.899 401 M CB 1.630 34.354 32.600 0.207 0.000 1.687 401 M HN 0.756 nan 8.290 nan 0.000 0.455 402 G N 1.846 110.712 108.800 0.110 0.000 2.464 402 G HA2 0.327 4.288 3.960 0.001 0.000 0.231 402 G HA3 0.327 4.288 3.960 0.001 0.000 0.231 402 G C 0.291 175.217 174.900 0.043 0.000 1.267 402 G CA 0.115 45.264 45.100 0.082 0.000 0.863 402 G HN 1.005 nan 8.290 nan 0.000 0.559 403 G N -0.961 107.823 108.800 -0.027 0.000 2.491 403 G HA2 0.428 4.389 3.960 0.001 0.000 0.242 403 G HA3 0.428 4.389 3.960 0.001 0.000 0.242 403 G C -0.325 174.485 174.900 -0.150 0.000 1.266 403 G CA -0.326 44.707 45.100 -0.110 0.000 0.844 403 G HN 0.725 nan 8.290 nan 0.000 0.571 404 V N 2.175 121.980 119.914 -0.182 0.000 2.459 404 V HA 0.363 4.484 4.120 0.001 0.000 0.295 404 V C -0.539 175.399 176.094 -0.259 0.000 1.029 404 V CA -0.679 61.530 62.300 -0.151 0.000 0.874 404 V CB 1.298 33.084 31.823 -0.061 0.000 0.985 404 V HN 0.538 nan 8.190 nan 0.000 0.438 405 F N 3.884 123.826 119.950 -0.012 0.000 2.412 405 F HA 0.478 5.005 4.527 0.001 0.000 0.348 405 F C 1.060 176.853 175.800 -0.012 0.000 1.102 405 F CA -0.227 57.768 58.000 -0.008 0.000 1.196 405 F CB 0.834 39.836 39.000 0.004 0.000 1.144 405 F HN 0.267 nan 8.300 nan 0.000 0.541 406 R N 4.827 125.424 120.500 0.160 0.000 2.247 406 R HA 0.419 4.759 4.340 0.001 0.000 0.329 406 R C -1.222 175.137 176.300 0.098 0.000 1.014 406 R CA -0.679 55.468 56.100 0.077 0.000 0.907 406 R CB 0.735 31.040 30.300 0.008 0.000 1.146 406 R HN 0.497 nan 8.270 nan 0.000 0.499 407 I N 2.235 122.841 120.570 0.061 0.000 2.312 407 I HA 0.261 4.432 4.170 0.001 0.000 0.291 407 I C 0.386 176.422 176.117 -0.134 0.000 1.031 407 I CA 0.214 61.503 61.300 -0.018 0.000 1.293 407 I CB 1.740 39.712 38.000 -0.046 0.000 1.403 407 I HN 0.549 nan 8.210 nan 0.000 0.484 408 A N 8.106 130.841 122.820 -0.143 0.000 3.266 408 A HA 0.623 4.944 4.320 0.001 0.000 0.310 408 A C -2.757 174.730 177.584 -0.162 0.000 1.066 408 A CA -1.206 50.745 52.037 -0.144 0.000 0.839 408 A CB -0.064 18.895 19.000 -0.069 0.000 1.192 408 A HN 0.343 nan 8.150 nan 0.000 0.496 409 P HA 0.404 nan 4.420 nan 0.000 0.276 409 P C -2.797 174.415 177.300 -0.146 0.000 1.252 409 P CA -1.574 61.380 63.100 -0.243 0.000 0.802 409 P CB -0.043 31.355 31.700 -0.502 0.000 1.035 410 P HA 0.088 nan 4.420 nan 0.000 0.267 410 P C 0.973 178.234 177.300 -0.065 0.000 1.200 410 P CA 0.361 63.419 63.100 -0.070 0.000 0.772 410 P CB 0.198 31.871 31.700 -0.045 0.000 0.855 411 L N 1.354 122.544 121.223 -0.054 0.000 2.275 411 L HA -0.089 4.252 4.340 0.001 0.000 0.215 411 L C 1.680 178.537 176.870 -0.021 0.000 1.119 411 L CA 1.505 56.317 54.840 -0.048 0.000 0.790 411 L CB -1.129 40.900 42.059 -0.051 0.000 0.919 411 L HN 0.458 nan 8.230 nan 0.000 0.443 412 T N -3.092 111.462 114.554 -0.000 0.000 3.219 412 T HA 0.120 4.471 4.350 0.001 0.000 0.249 412 T C 0.612 175.327 174.700 0.025 0.000 1.099 412 T CA -0.240 61.879 62.100 0.031 0.000 0.988 412 T CB -0.363 68.550 68.868 0.074 0.000 0.999 412 T HN 0.050 nan 8.240 nan 0.000 0.550 413 V N 3.189 123.103 119.914 0.001 0.000 2.963 413 V HA 0.427 4.547 4.120 0.001 0.000 0.306 413 V C 0.572 176.682 176.094 0.027 0.000 1.077 413 V CA -0.301 62.005 62.300 0.010 0.000 1.124 413 V CB 1.001 32.813 31.823 -0.018 0.000 0.987 413 V HN 0.741 nan 8.190 nan 0.000 0.487 414 S N 3.310 119.040 115.700 0.051 0.000 2.693 414 S HA 0.407 4.877 4.470 0.001 0.000 0.276 414 S C 0.700 175.334 174.600 0.056 0.000 1.192 414 S CA 0.013 58.246 58.200 0.056 0.000 0.994 414 S CB 1.413 64.659 63.200 0.077 0.000 1.012 414 S HN 0.800 nan 8.310 nan 0.000 0.550 415 E N 0.608 120.837 120.200 0.049 0.000 2.047 415 E HA -0.093 4.258 4.350 0.001 0.000 0.191 415 E C 1.294 177.931 176.600 0.062 0.000 0.987 415 E CA 1.608 58.036 56.400 0.047 0.000 0.799 415 E CB -0.126 29.596 29.700 0.037 0.000 0.752 415 E HN 0.682 nan 8.360 nan 0.000 0.449 416 D N 0.264 120.704 120.400 0.067 0.000 2.117 416 D HA -0.148 4.492 4.640 0.001 0.000 0.197 416 D C 1.717 178.076 176.300 0.097 0.000 0.987 416 D CA 0.899 54.943 54.000 0.074 0.000 0.829 416 D CB -0.143 40.700 40.800 0.072 0.000 0.961 416 D HN 0.223 nan 8.370 nan 0.000 0.460 417 E N 0.348 120.619 120.200 0.117 0.000 2.097 417 E HA -0.181 4.170 4.350 0.001 0.000 0.196 417 E C 2.299 178.998 176.600 0.165 0.000 1.000 417 E CA 0.507 56.993 56.400 0.144 0.000 0.804 417 E CB -0.031 29.744 29.700 0.126 0.000 0.740 417 E HN 0.267 nan 8.360 nan 0.000 0.454 418 I N 1.434 122.096 120.570 0.153 0.000 2.091 418 I HA -0.322 3.849 4.170 0.001 0.000 0.239 418 I C 1.879 178.109 176.117 0.190 0.000 1.061 418 I CA 1.553 62.972 61.300 0.199 0.000 1.317 418 I CB -0.482 37.579 38.000 0.101 0.000 1.031 418 I HN 0.196 nan 8.210 nan 0.000 0.401 419 D N 0.649 121.115 120.400 0.111 0.000 2.103 419 D HA -0.229 4.412 4.640 0.001 0.000 0.190 419 D C 2.015 178.349 176.300 0.057 0.000 0.997 419 D CA 1.225 55.272 54.000 0.079 0.000 0.833 419 D CB -0.689 40.145 40.800 0.058 0.000 0.961 419 D HN 0.203 nan 8.370 nan 0.000 0.447 420 L N 1.443 122.696 121.223 0.050 0.000 2.030 420 L HA -0.204 4.137 4.340 0.001 0.000 0.222 420 L C 2.212 179.037 176.870 -0.075 0.000 1.082 420 L CA 2.770 57.617 54.840 0.010 0.000 0.785 420 L CB -1.290 40.797 42.059 0.047 0.000 0.895 420 L HN 0.101 nan 8.230 nan 0.000 0.439 421 G N -0.293 108.418 108.800 -0.149 0.000 2.514 421 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 421 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 421 G C 1.558 176.334 174.900 -0.206 0.000 1.198 421 G CA 0.988 45.792 45.100 -0.492 0.000 0.780 421 G HN 0.398 nan 8.290 nan 0.000 0.565 422 L N 1.267 122.500 121.223 0.017 0.000 2.010 422 L HA -0.187 4.154 4.340 0.001 0.000 0.219 422 L C 3.142 180.007 176.870 -0.009 0.000 1.077 422 L CA 2.381 57.246 54.840 0.041 0.000 0.773 422 L CB -1.411 40.693 42.059 0.075 0.000 0.892 422 L HN 0.422 nan 8.230 nan 0.000 0.436 423 S N -0.608 115.086 115.700 -0.010 0.000 2.351 423 S HA -0.188 4.282 4.470 0.001 0.000 0.220 423 S C 2.169 176.742 174.600 -0.046 0.000 1.035 423 S CA 1.511 59.705 58.200 -0.009 0.000 1.031 423 S CB -0.316 62.881 63.200 -0.004 0.000 0.928 423 S HN 0.400 nan 8.310 nan 0.000 0.433 424 L N 1.213 122.383 121.223 -0.089 0.000 2.129 424 L HA -0.104 4.237 4.340 0.001 0.000 0.212 424 L C 2.665 179.447 176.870 -0.147 0.000 1.087 424 L CA 1.125 55.896 54.840 -0.115 0.000 0.757 424 L CB -0.620 41.348 42.059 -0.152 0.000 0.896 424 L HN 0.400 nan 8.230 nan 0.000 0.434 425 L N -0.117 121.002 121.223 -0.173 0.000 2.027 425 L HA -0.138 4.202 4.340 0.001 0.000 0.206 425 L C 2.514 179.253 176.870 -0.219 0.000 1.074 425 L CA 1.898 56.605 54.840 -0.222 0.000 0.745 425 L CB -0.907 41.026 42.059 -0.210 0.000 0.898 425 L HN 0.347 nan 8.230 nan 0.000 0.433 426 G N -0.883 107.853 108.800 -0.108 0.000 2.446 426 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 426 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 426 G C 1.357 176.226 174.900 -0.050 0.000 1.168 426 G CA 0.499 45.582 45.100 -0.027 0.000 0.771 426 G HN 0.473 nan 8.290 nan 0.000 0.551 427 Q N 0.416 120.201 119.800 -0.024 0.000 2.045 427 Q HA -0.164 4.177 4.340 0.001 0.000 0.206 427 Q C 2.998 178.955 176.000 -0.072 0.000 0.991 427 Q CA 1.608 57.398 55.803 -0.022 0.000 0.851 427 Q CB -0.460 28.258 28.738 -0.033 0.000 0.911 427 Q HN 0.487 nan 8.270 nan 0.000 0.418 428 A N 0.561 123.304 122.820 -0.128 0.000 1.969 428 A HA -0.131 4.189 4.320 0.001 0.000 0.218 428 A C 2.066 179.534 177.584 -0.193 0.000 1.169 428 A CA 0.992 52.943 52.037 -0.143 0.000 0.635 428 A CB -0.476 18.421 19.000 -0.171 0.000 0.810 428 A HN 0.261 nan 8.150 nan 0.000 0.445 429 I N -0.173 120.199 120.570 -0.330 0.000 2.193 429 I HA -0.217 3.954 4.170 0.001 0.000 0.240 429 I C 2.417 178.368 176.117 -0.276 0.000 1.084 429 I CA 1.343 62.350 61.300 -0.487 0.000 1.365 429 I CB -0.428 36.886 38.000 -1.143 0.000 1.064 429 I HN 0.378 nan 8.210 nan 0.000 0.410 430 E N 1.018 121.140 120.200 -0.130 0.000 2.082 430 E HA -0.332 4.019 4.350 0.001 0.000 0.215 430 E C 2.277 178.902 176.600 0.041 0.000 1.048 430 E CA 1.798 58.266 56.400 0.112 0.000 0.869 430 E CB -0.494 29.300 29.700 0.157 0.000 0.773 430 E HN 0.511 nan 8.360 nan 0.000 0.466 431 R N 0.507 121.008 120.500 0.001 0.000 2.105 431 R HA -0.111 4.229 4.340 0.001 0.000 0.239 431 R C 2.388 178.683 176.300 -0.008 0.000 1.135 431 R CA 1.179 57.277 56.100 -0.003 0.000 0.967 431 R CB -0.428 29.861 30.300 -0.017 0.000 0.861 431 R HN 0.175 nan 8.270 nan 0.000 0.442 432 A N 1.467 124.270 122.820 -0.028 0.000 1.968 432 A HA 0.001 4.322 4.320 0.001 0.000 0.217 432 A C 1.154 178.738 177.584 -0.001 0.000 1.169 432 A CA 0.585 52.609 52.037 -0.021 0.000 0.638 432 A CB -0.307 18.670 19.000 -0.039 0.000 0.812 432 A HN 0.042 nan 8.150 nan 0.000 0.446 433 L N 0.000 121.229 121.223 0.011 0.000 2.949 433 L HA 0.000 4.341 4.340 0.001 0.000 0.249 433 L CA 0.000 54.860 54.840 0.034 0.000 0.813 433 L CB 0.000 42.102 42.059 0.071 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502