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 3hii_1_B DATA FIRST_RESID 28 DATA SEQUENCE RKAGVFSDLS NQELKAVHSF LWSKKELRLQ PSSTTTMAKN TVFLIEMLLP DATA SEQUENCE KKYHVLRFLD KGERHPVREA RAVIFFGDQE HPNVTEFAVG PLPGPCYMRA DATA SEQUENCE LSPRPGYQSS WASRPISTAE YALLYHTLQE ATKPLHQFFL NTTGFSFQDc DATA SEQUENCE HDRcLAFTDV APRGVASGQR RSWLIIQRYV EGYFLHPTGL ELLVDHGSTD DATA SEQUENCE AGHWAVEQVW YNGKFYGSPE ELARKYADGE VDVVVLXXXX XXXXXXXXXX DATA SEQUENCE EPPLFSSHKP RGDFPSPIHV SGPRLVQPHG PRFRLEGNAV LYGGWSFAFR DATA SEQUENCE LRSSSGLQVL NVHFGGERIA YEVSVQEAVA LYGGHTPAGM QTKYLDVGWG DATA SEQUENCE LGSVTHELAP GIDcPETATF LDTFHYYDAD DPVHYPRALc LFEMPTGVPL DATA SEQUENCE RRHFNSNFKG GFNFYAGLKG QVLVLRTTST VYNXDYIWDF IFYPNGVMEA DATA SEQUENCE KMHATGYVHA TFYTPEGLRH GTRLHTHLIG NIHTHLVHYR VDLDVAGTKN DATA SEQUENCE SFQTLQMKLE NITNPWSPRH RVVQPTLEQT QYSWERQAAF RFKRKLPKYL DATA SEQUENCE LFTSPQENPW GHKRSYRLQI HSMADQVLPP GWQEEQAITW ARYPLAVTKY DATA SEQUENCE RESELCSSSI YHQNDPWDPP VVFEQFLHNN ENIENEDLVA WVTVGFLHIP DATA SEQUENCE HSEDIPNTAT PGNSVGFLLR PFNFFPEDPS LASRDTVIVW PRDNGPNYVQ DATA SEQUENCE RWIPEDRDCS MPPPFSYNGT YRPV 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.344 176.300 0.074 0.000 0.893 28 R CA 0.000 56.117 56.100 0.028 0.000 0.921 28 R CB 0.000 30.307 30.300 0.012 0.000 0.687 29 K N 0.880 121.306 120.400 0.044 0.000 2.217 29 K HA 0.019 4.388 4.320 0.082 0.000 0.202 29 K C 2.207 178.880 176.600 0.122 0.000 1.051 29 K CA 1.322 57.662 56.287 0.089 0.000 0.952 29 K CB 0.282 32.660 32.500 -0.203 0.000 0.736 29 K HN 0.743 nan 8.250 nan 0.000 0.453 30 A N 1.482 124.360 122.820 0.097 0.000 2.139 30 A HA -0.126 4.243 4.320 0.082 0.000 0.221 30 A C 2.286 179.938 177.584 0.113 0.000 1.159 30 A CA 1.717 53.858 52.037 0.175 0.000 0.662 30 A CB -1.089 17.973 19.000 0.103 0.000 0.796 30 A HN 0.431 nan 8.150 nan 0.000 0.463 31 G N -0.594 108.250 108.800 0.075 0.000 2.475 31 G HA2 -0.208 3.801 3.960 0.082 0.000 0.220 31 G HA3 -0.208 3.801 3.960 0.082 0.000 0.220 31 G C 1.543 176.471 174.900 0.048 0.000 1.125 31 G CA 1.125 46.265 45.100 0.067 0.000 0.755 31 G HN 0.566 nan 8.290 nan 0.000 0.565 32 V N -0.079 119.802 119.914 -0.056 0.000 2.469 32 V HA -0.099 4.070 4.120 0.082 0.000 0.251 32 V C 2.137 178.063 176.094 -0.280 0.000 1.064 32 V CA 1.666 63.810 62.300 -0.261 0.000 1.066 32 V CB -0.418 31.029 31.823 -0.626 0.000 0.667 32 V HN 0.346 nan 8.190 nan 0.000 0.461 33 F N 0.924 120.885 119.950 0.019 0.000 2.765 33 F HA 0.285 4.861 4.527 0.081 0.000 0.302 33 F C 1.469 177.248 175.800 -0.035 0.000 1.111 33 F CA 0.244 58.236 58.000 -0.014 0.000 1.359 33 F CB -0.691 38.276 39.000 -0.056 0.000 1.097 33 F HN 0.216 nan 8.300 nan 0.000 0.577 34 S N -0.435 115.319 115.700 0.089 0.000 2.584 34 S HA 0.185 4.704 4.470 0.082 0.000 0.273 34 S C -0.047 174.577 174.600 0.039 0.000 1.311 34 S CA -1.086 57.126 58.200 0.020 0.000 1.034 34 S CB 1.062 64.254 63.200 -0.014 0.000 0.939 34 S HN 0.041 nan 8.310 nan 0.000 0.513 35 D N 1.106 121.527 120.400 0.035 0.000 2.361 35 D HA 0.185 4.874 4.640 0.082 0.000 0.239 35 D C 0.358 176.684 176.300 0.043 0.000 1.200 35 D CA -0.088 53.946 54.000 0.057 0.000 0.915 35 D CB 0.443 41.284 40.800 0.069 0.000 1.170 35 D HN 0.507 nan 8.370 nan 0.000 0.444 36 L N 1.150 122.401 121.223 0.048 0.000 2.453 36 L HA 0.040 4.429 4.340 0.082 0.000 0.272 36 L C 1.347 178.226 176.870 0.014 0.000 1.182 36 L CA -0.272 54.580 54.840 0.020 0.000 0.858 36 L CB 0.454 42.525 42.059 0.020 0.000 1.120 36 L HN 0.392 nan 8.230 nan 0.000 0.474 37 S N 1.453 117.135 115.700 -0.030 0.000 2.617 37 S HA 0.021 4.540 4.470 0.082 0.000 0.259 37 S C 0.926 175.387 174.600 -0.231 0.000 1.301 37 S CA -0.429 57.720 58.200 -0.085 0.000 0.984 37 S CB 0.838 63.985 63.200 -0.089 0.000 0.954 37 S HN 0.684 nan 8.310 nan 0.000 0.572 38 N N 1.172 119.529 118.700 -0.572 0.000 2.061 38 N HA -0.172 4.617 4.740 0.082 0.000 0.193 38 N C 2.481 177.769 175.510 -0.369 0.000 1.030 38 N CA 2.436 54.989 53.050 -0.828 0.000 0.856 38 N CB -1.261 36.374 38.487 -1.419 0.000 1.023 38 N HN 0.837 nan 8.380 nan 0.000 0.424 39 Q N 0.714 120.354 119.800 -0.267 0.000 2.061 39 Q HA -0.146 4.243 4.340 0.082 0.000 0.204 39 Q C 2.120 178.047 176.000 -0.121 0.000 0.984 39 Q CA 1.998 57.706 55.803 -0.157 0.000 0.846 39 Q CB -1.074 27.593 28.738 -0.118 0.000 0.902 39 Q HN 0.724 nan 8.270 nan 0.000 0.421 40 E N 0.106 120.237 120.200 -0.115 0.000 2.077 40 E HA -0.070 4.329 4.350 0.082 0.000 0.193 40 E C 2.207 178.759 176.600 -0.080 0.000 0.989 40 E CA 1.054 57.401 56.400 -0.088 0.000 0.800 40 E CB -0.167 29.489 29.700 -0.074 0.000 0.746 40 E HN 0.603 nan 8.360 nan 0.000 0.452 41 L N 0.961 122.130 121.223 -0.091 0.000 2.017 41 L HA -0.223 4.166 4.340 0.082 0.000 0.208 41 L C 2.408 179.220 176.870 -0.097 0.000 1.073 41 L CA 1.379 56.166 54.840 -0.088 0.000 0.745 41 L CB -0.308 41.723 42.059 -0.048 0.000 0.894 41 L HN 0.029 nan 8.230 nan 0.000 0.432 42 K N -0.126 120.222 120.400 -0.086 0.000 2.103 42 K HA -0.185 4.185 4.320 0.082 0.000 0.207 42 K C 2.193 178.794 176.600 0.001 0.000 1.048 42 K CA 1.425 57.687 56.287 -0.042 0.000 0.930 42 K CB -0.288 32.176 32.500 -0.061 0.000 0.716 42 K HN 0.319 nan 8.250 nan 0.000 0.444 43 A N 0.805 123.610 122.820 -0.025 0.000 1.898 43 A HA -0.110 4.259 4.320 0.082 0.000 0.216 43 A C 2.340 179.941 177.584 0.029 0.000 1.181 43 A CA 1.339 53.371 52.037 -0.008 0.000 0.620 43 A CB -0.518 18.452 19.000 -0.049 0.000 0.819 43 A HN 0.075 nan 8.150 nan 0.000 0.442 44 V N -0.557 119.362 119.914 0.007 0.000 2.358 44 V HA -0.239 3.930 4.120 0.082 0.000 0.246 44 V C 2.454 178.626 176.094 0.131 0.000 1.047 44 V CA 2.014 64.341 62.300 0.045 0.000 1.035 44 V CB -0.968 30.849 31.823 -0.011 0.000 0.658 44 V HN 0.760 nan 8.190 nan 0.000 0.452 45 H N -0.354 118.687 119.070 -0.050 0.000 2.321 45 H HA -0.162 4.440 4.556 0.076 0.000 0.300 45 H C 2.652 178.047 175.328 0.112 0.000 1.087 45 H CA 1.877 57.912 56.048 -0.022 0.000 1.319 45 H CB 0.123 29.779 29.762 -0.177 0.000 1.379 45 H HN 0.447 nan 8.280 nan 0.000 0.501 46 S N -0.001 115.757 115.700 0.096 0.000 2.359 46 S HA -0.207 4.312 4.470 0.082 0.000 0.224 46 S C 2.105 176.777 174.600 0.119 0.000 1.035 46 S CA 1.495 59.738 58.200 0.072 0.000 1.018 46 S CB -0.771 62.469 63.200 0.067 0.000 0.876 46 S HN 0.479 nan 8.310 nan 0.000 0.448 47 F N 2.031 121.979 119.950 -0.003 0.000 2.095 47 F HA -0.074 4.505 4.527 0.087 0.000 0.298 47 F C 1.834 177.624 175.800 -0.017 0.000 1.104 47 F CA 1.751 59.741 58.000 -0.017 0.000 1.232 47 F CB -0.521 38.450 39.000 -0.047 0.000 0.987 47 F HN 0.221 nan 8.300 nan 0.000 0.475 48 L N -1.581 119.578 121.223 -0.107 0.000 2.056 48 L HA -0.212 4.177 4.340 0.082 0.000 0.207 48 L C 2.258 178.995 176.870 -0.222 0.000 1.078 48 L CA 1.330 56.024 54.840 -0.245 0.000 0.749 48 L CB -0.943 41.073 42.059 -0.072 0.000 0.901 48 L HN 0.238 nan 8.230 nan 0.000 0.433 49 W N 0.259 121.381 121.300 -0.296 0.000 2.465 49 W HA -0.161 4.527 4.660 0.046 0.000 0.268 49 W C 2.967 179.376 176.519 -0.184 0.000 1.242 49 W CA 1.498 58.698 57.345 -0.241 0.000 1.248 49 W CB -0.376 28.926 29.460 -0.264 0.000 1.118 49 W HN 0.229 nan 8.180 nan 0.000 0.587 50 S N -0.221 115.470 115.700 -0.015 0.000 2.515 50 S HA -0.022 4.497 4.470 0.082 0.000 0.231 50 S C 0.748 175.260 174.600 -0.146 0.000 0.987 50 S CA 0.343 58.506 58.200 -0.061 0.000 0.936 50 S CB -0.358 62.805 63.200 -0.062 0.000 0.766 50 S HN 0.109 nan 8.310 nan 0.000 0.528 51 K N 1.695 121.950 120.400 -0.242 0.000 2.219 51 K HA 0.334 4.703 4.320 0.082 0.000 0.280 51 K C 1.236 177.727 176.600 -0.181 0.000 1.104 51 K CA 0.175 56.322 56.287 -0.233 0.000 0.925 51 K CB 0.935 33.245 32.500 -0.316 0.000 1.261 51 K HN 0.356 nan 8.250 nan 0.000 0.445 52 K N 2.943 123.268 120.400 -0.126 0.000 2.211 52 K HA -0.152 4.217 4.320 0.082 0.000 0.203 52 K C 1.598 178.136 176.600 -0.104 0.000 1.050 52 K CA 1.621 57.844 56.287 -0.108 0.000 0.945 52 K CB -0.439 32.021 32.500 -0.066 0.000 0.732 52 K HN 0.717 nan 8.250 nan 0.000 0.451 53 E N 1.021 121.167 120.200 -0.091 0.000 2.409 53 E HA -0.110 4.289 4.350 0.082 0.000 0.198 53 E C 1.705 178.271 176.600 -0.058 0.000 1.024 53 E CA 0.862 57.220 56.400 -0.070 0.000 0.861 53 E CB -0.411 29.253 29.700 -0.060 0.000 0.788 53 E HN 0.617 nan 8.360 nan 0.000 0.521 54 L N 0.239 121.415 121.223 -0.080 0.000 2.395 54 L HA 0.104 4.493 4.340 0.082 0.000 0.218 54 L C 0.861 177.703 176.870 -0.047 0.000 1.130 54 L CA 0.379 55.209 54.840 -0.017 0.000 0.826 54 L CB -0.439 41.562 42.059 -0.096 0.000 0.941 54 L HN 0.017 nan 8.230 nan 0.000 0.451 55 R N 0.254 120.676 120.500 -0.130 0.000 3.416 55 R HA -0.167 4.223 4.340 0.082 0.000 0.263 55 R C -0.291 175.873 176.300 -0.226 0.000 1.053 55 R CA 0.169 56.184 56.100 -0.142 0.000 0.705 55 R CB -2.339 27.929 30.300 -0.054 0.000 1.124 55 R HN 0.315 nan 8.270 nan 0.000 0.444 56 L N 1.126 122.074 121.223 -0.457 0.000 2.456 56 L HA 0.079 4.469 4.340 0.082 0.000 0.272 56 L C 0.929 177.405 176.870 -0.657 0.000 1.189 56 L CA 0.693 55.151 54.840 -0.636 0.000 0.846 56 L CB 0.549 41.926 42.059 -1.137 0.000 1.111 56 L HN 0.218 nan 8.230 nan 0.000 0.475 57 Q N 2.912 122.574 119.800 -0.231 0.000 2.451 57 Q HA 0.469 4.858 4.340 0.082 0.000 0.281 57 Q C -2.510 173.703 176.000 0.355 0.000 1.099 57 Q CA -2.124 53.726 55.803 0.079 0.000 0.806 57 Q CB 2.147 30.940 28.738 0.090 0.000 1.419 57 Q HN 0.335 nan 8.270 nan 0.000 0.427 58 P HA -0.086 nan 4.420 nan 0.000 0.269 58 P C 0.494 177.954 177.300 0.267 0.000 1.215 58 P CA 0.198 63.540 63.100 0.403 0.000 0.780 58 P CB 0.624 32.493 31.700 0.283 0.000 0.898 59 S N 0.875 116.708 115.700 0.221 0.000 2.402 59 S HA -0.196 4.324 4.470 0.082 0.000 0.233 59 S C 1.714 176.408 174.600 0.156 0.000 1.030 59 S CA 1.801 60.096 58.200 0.158 0.000 1.003 59 S CB -1.583 61.654 63.200 0.063 0.000 0.813 59 S HN 0.543 nan 8.310 nan 0.000 0.477 60 S N 0.603 116.386 115.700 0.140 0.000 2.515 60 S HA 0.057 4.576 4.470 0.082 0.000 0.231 60 S C 0.730 175.405 174.600 0.124 0.000 0.987 60 S CA 0.306 58.580 58.200 0.124 0.000 0.936 60 S CB -1.105 62.154 63.200 0.098 0.000 0.766 60 S HN 0.486 nan 8.310 nan 0.000 0.528 61 T N 4.014 118.651 114.554 0.137 0.000 2.853 61 T HA 0.233 4.632 4.350 0.082 0.000 0.298 61 T C 0.712 175.481 174.700 0.116 0.000 0.978 61 T CA 0.552 62.723 62.100 0.119 0.000 1.152 61 T CB 0.795 69.740 68.868 0.129 0.000 0.914 61 T HN 0.533 nan 8.240 nan 0.000 0.539 62 T N 0.613 115.218 114.554 0.084 0.000 3.591 62 T HA 0.389 4.788 4.350 0.082 0.000 0.232 62 T C 0.203 174.931 174.700 0.047 0.000 1.116 62 T CA -0.717 61.429 62.100 0.076 0.000 1.063 62 T CB -0.292 68.604 68.868 0.047 0.000 1.227 62 T HN 0.537 nan 8.240 nan 0.000 0.685 63 T N 1.291 115.893 114.554 0.080 0.000 2.916 63 T HA 0.466 4.865 4.350 0.082 0.000 0.305 63 T C 0.843 175.635 174.700 0.153 0.000 1.119 63 T CA -0.888 61.252 62.100 0.066 0.000 1.008 63 T CB 1.266 70.159 68.868 0.042 0.000 1.129 63 T HN 0.144 nan 8.240 nan 0.000 0.480 64 M N 2.104 121.814 119.600 0.184 0.000 2.506 64 M HA 0.268 4.797 4.480 0.082 0.000 0.260 64 M C 1.475 177.965 176.300 0.318 0.000 1.104 64 M CA 0.427 55.926 55.300 0.331 0.000 1.112 64 M CB -0.962 31.900 32.600 0.436 0.000 1.401 64 M HN 0.687 nan 8.290 nan 0.000 0.473 65 A N 2.872 125.792 122.820 0.168 0.000 3.118 65 A HA 0.268 4.637 4.320 0.082 0.000 0.256 65 A C 0.349 177.986 177.584 0.087 0.000 1.667 65 A CA -0.278 51.811 52.037 0.087 0.000 1.338 65 A CB -0.856 18.159 19.000 0.025 0.000 1.127 65 A HN 0.488 nan 8.150 nan 0.000 0.634 66 K N -0.572 119.918 120.400 0.150 0.000 2.512 66 K HA 0.528 4.897 4.320 0.082 0.000 0.263 66 K C -1.530 175.179 176.600 0.181 0.000 0.966 66 K CA -1.067 55.302 56.287 0.136 0.000 0.851 66 K CB 1.073 33.661 32.500 0.146 0.000 1.395 66 K HN 0.065 nan 8.250 nan 0.000 0.440 67 N N 1.321 120.094 118.700 0.122 0.000 2.438 67 N HA 0.393 5.182 4.740 0.082 0.000 0.282 67 N C -1.127 174.411 175.510 0.045 0.000 1.037 67 N CA -0.255 52.854 53.050 0.100 0.000 0.942 67 N CB 1.764 40.307 38.487 0.094 0.000 1.136 67 N HN 0.781 nan 8.380 nan 0.000 0.481 68 T N -2.823 111.772 114.554 0.068 0.000 2.932 68 T HA 0.380 4.779 4.350 0.082 0.000 0.318 68 T C -0.735 174.008 174.700 0.072 0.000 1.265 68 T CA -0.833 61.327 62.100 0.101 0.000 1.036 68 T CB 0.656 69.632 68.868 0.179 0.000 1.209 68 T HN 0.017 nan 8.240 nan 0.000 0.484 69 V N 4.072 124.094 119.914 0.180 0.000 2.405 69 V HA 0.272 4.441 4.120 0.082 0.000 0.264 69 V C 0.825 177.064 176.094 0.242 0.000 1.048 69 V CA -0.373 62.068 62.300 0.235 0.000 0.966 69 V CB -0.231 31.813 31.823 0.368 0.000 1.015 69 V HN 0.908 nan 8.190 nan 0.000 0.477 70 F N 5.904 125.744 119.950 -0.183 0.000 2.219 70 F HA 0.306 4.877 4.527 0.073 0.000 0.294 70 F C 0.425 176.084 175.800 -0.234 0.000 1.086 70 F CA 0.783 58.493 58.000 -0.483 0.000 1.330 70 F CB 0.485 38.795 39.000 -1.151 0.000 1.047 70 F HN 0.387 nan 8.300 nan 0.000 0.495 71 L N 0.736 121.977 121.223 0.030 0.000 2.482 71 L HA 0.566 4.955 4.340 0.082 0.000 0.263 71 L C -1.713 175.318 176.870 0.269 0.000 0.957 71 L CA -0.771 54.125 54.840 0.093 0.000 0.836 71 L CB 1.887 43.981 42.059 0.059 0.000 1.324 71 L HN -0.029 nan 8.230 nan 0.000 0.406 72 I N 4.401 125.163 120.570 0.321 0.000 2.499 72 I HA 0.599 4.818 4.170 0.082 0.000 0.288 72 I C -0.801 175.426 176.117 0.184 0.000 1.048 72 I CA -0.281 61.123 61.300 0.174 0.000 1.062 72 I CB 1.974 39.960 38.000 -0.022 0.000 1.238 72 I HN 0.809 nan 8.210 nan 0.000 0.426 73 E N 6.240 126.533 120.200 0.156 0.000 2.449 73 E HA 0.442 4.841 4.350 0.082 0.000 0.278 73 E C -1.174 175.497 176.600 0.117 0.000 0.992 73 E CA -1.089 55.398 56.400 0.145 0.000 0.807 73 E CB 2.102 31.899 29.700 0.161 0.000 1.350 73 E HN 0.345 nan 8.360 nan 0.000 0.462 74 M N 2.124 121.787 119.600 0.105 0.000 2.239 74 M HA 0.191 4.720 4.480 0.082 0.000 0.348 74 M C -1.260 175.108 176.300 0.113 0.000 1.239 74 M CA -0.412 54.943 55.300 0.092 0.000 1.114 74 M CB 0.537 33.185 32.600 0.081 0.000 1.641 74 M HN 0.675 nan 8.290 nan 0.000 0.453 75 L N 6.831 128.121 121.223 0.112 0.000 2.276 75 L HA 0.358 4.748 4.340 0.082 0.000 0.286 75 L C -0.970 175.982 176.870 0.137 0.000 1.024 75 L CA -0.527 54.393 54.840 0.133 0.000 0.826 75 L CB 0.828 42.972 42.059 0.141 0.000 1.211 75 L HN 0.720 nan 8.230 nan 0.000 0.422 76 L N 8.176 129.494 121.223 0.158 0.000 2.540 76 L HA 0.279 4.668 4.340 0.082 0.000 0.276 76 L C -1.805 175.174 176.870 0.181 0.000 1.212 76 L CA -0.515 54.433 54.840 0.180 0.000 0.893 76 L CB -0.329 41.870 42.059 0.234 0.000 1.138 76 L HN 0.554 nan 8.230 nan 0.000 0.491 77 P HA 0.106 nan 4.420 nan 0.000 0.273 77 P C -1.011 176.430 177.300 0.234 0.000 1.250 77 P CA -0.449 62.759 63.100 0.179 0.000 0.793 77 P CB 0.313 32.089 31.700 0.127 0.000 1.011 78 K N 0.762 121.319 120.400 0.262 0.000 2.436 78 K HA -0.035 4.334 4.320 0.082 0.000 0.275 78 K C 1.388 178.105 176.600 0.195 0.000 0.999 78 K CA 0.101 56.530 56.287 0.237 0.000 0.980 78 K CB 0.319 32.943 32.500 0.206 0.000 0.919 78 K HN 0.379 nan 8.250 nan 0.000 0.484 79 K N 2.371 122.858 120.400 0.146 0.000 2.103 79 K HA -0.252 4.118 4.320 0.082 0.000 0.207 79 K C 1.839 178.378 176.600 -0.102 0.000 1.048 79 K CA 1.503 57.746 56.287 -0.073 0.000 0.930 79 K CB -0.127 32.105 32.500 -0.446 0.000 0.716 79 K HN 0.620 nan 8.250 nan 0.000 0.444 80 Y N 1.181 121.365 120.300 -0.194 0.000 2.081 80 Y HA -0.333 4.266 4.550 0.081 0.000 0.280 80 Y C 2.168 177.986 175.900 -0.137 0.000 1.163 80 Y CA 2.155 60.121 58.100 -0.224 0.000 1.135 80 Y CB -0.361 37.907 38.460 -0.319 0.000 0.970 80 Y HN 0.255 nan 8.280 nan 0.000 0.498 81 H N -1.200 117.860 119.070 -0.017 0.000 2.395 81 H HA -0.077 4.528 4.556 0.082 0.000 0.299 81 H C 2.544 177.844 175.328 -0.047 0.000 1.070 81 H CA 1.639 57.637 56.048 -0.083 0.000 1.356 81 H CB -0.697 29.098 29.762 0.056 0.000 1.401 81 H HN 0.351 nan 8.280 nan 0.000 0.524 82 V N 1.324 121.316 119.914 0.131 0.000 2.343 82 V HA -0.207 3.962 4.120 0.082 0.000 0.247 82 V C 2.788 178.981 176.094 0.164 0.000 1.051 82 V CA 1.252 63.646 62.300 0.157 0.000 1.036 82 V CB -0.620 31.357 31.823 0.256 0.000 0.654 82 V HN 0.246 nan 8.190 nan 0.000 0.451 83 L N -0.705 120.550 121.223 0.054 0.000 2.141 83 L HA -0.123 4.266 4.340 0.082 0.000 0.209 83 L C 2.765 179.610 176.870 -0.041 0.000 1.094 83 L CA 1.418 56.265 54.840 0.011 0.000 0.763 83 L CB -0.507 41.502 42.059 -0.084 0.000 0.908 83 L HN 0.230 nan 8.230 nan 0.000 0.437 84 R N -0.849 119.584 120.500 -0.112 0.000 2.115 84 R HA -0.171 4.218 4.340 0.082 0.000 0.230 84 R C 2.222 178.528 176.300 0.011 0.000 1.111 84 R CA 1.361 57.397 56.100 -0.108 0.000 0.976 84 R CB -0.296 29.872 30.300 -0.221 0.000 0.870 84 R HN 0.208 nan 8.270 nan 0.000 0.445 85 F N 1.116 121.007 119.950 -0.098 0.000 2.146 85 F HA -0.088 4.489 4.527 0.083 0.000 0.298 85 F C 1.627 177.379 175.800 -0.080 0.000 1.096 85 F CA 1.368 59.309 58.000 -0.098 0.000 1.275 85 F CB -0.169 38.734 39.000 -0.162 0.000 1.008 85 F HN -0.120 nan 8.300 nan 0.000 0.480 86 L N -0.366 120.703 121.223 -0.256 0.000 2.095 86 L HA -0.085 4.304 4.340 0.082 0.000 0.204 86 L C 1.719 178.479 176.870 -0.185 0.000 1.080 86 L CA 1.290 55.939 54.840 -0.319 0.000 0.759 86 L CB -0.522 41.512 42.059 -0.042 0.000 0.914 86 L HN 0.017 nan 8.230 nan 0.000 0.439 87 D N -0.677 119.671 120.400 -0.086 0.000 2.380 87 D HA 0.004 4.693 4.640 0.082 0.000 0.212 87 D C 1.225 177.494 176.300 -0.053 0.000 1.021 87 D CA 0.729 54.703 54.000 -0.044 0.000 0.884 87 D CB 0.371 41.169 40.800 -0.004 0.000 1.001 87 D HN 0.153 nan 8.370 nan 0.000 0.506 88 K N -0.152 120.212 120.400 -0.061 0.000 2.506 88 K HA 0.324 4.693 4.320 0.082 0.000 0.204 88 K C 0.605 177.182 176.600 -0.037 0.000 1.045 88 K CA 0.002 56.264 56.287 -0.043 0.000 1.074 88 K CB 1.594 34.071 32.500 -0.039 0.000 0.842 88 K HN 0.007 nan 8.250 nan 0.000 0.514 89 G N 2.037 110.799 108.800 -0.064 0.000 2.283 89 G HA2 -0.296 3.713 3.960 0.082 0.000 0.280 89 G HA3 -0.296 3.713 3.960 0.082 0.000 0.280 89 G C -0.133 174.777 174.900 0.016 0.000 1.029 89 G CA 0.539 45.611 45.100 -0.048 0.000 0.840 89 G HN 0.375 nan 8.290 nan 0.000 0.505 90 E N -0.387 119.844 120.200 0.052 0.000 2.561 90 E HA 0.659 5.059 4.350 0.082 0.000 0.254 90 E C 1.141 177.860 176.600 0.200 0.000 1.213 90 E CA -0.342 56.115 56.400 0.095 0.000 0.995 90 E CB 0.459 30.197 29.700 0.063 0.000 1.233 90 E HN 0.581 nan 8.360 nan 0.000 0.556 91 R N 1.203 121.784 120.500 0.135 0.000 2.679 91 R HA -0.037 4.352 4.340 0.082 0.000 0.268 91 R C 0.269 176.606 176.300 0.062 0.000 1.044 91 R CA 0.035 56.203 56.100 0.114 0.000 1.105 91 R CB -0.611 29.708 30.300 0.032 0.000 0.989 91 R HN 0.529 nan 8.270 nan 0.000 0.447 92 H N 3.327 122.264 119.070 -0.223 0.000 3.070 92 H HA 0.101 4.706 4.556 0.082 0.000 0.313 92 H C -1.981 173.050 175.328 -0.496 0.000 0.997 92 H CA -1.364 54.170 56.048 -0.856 0.000 1.438 92 H CB 0.776 30.143 29.762 -0.659 0.000 1.455 92 H HN 0.512 nan 8.280 nan 0.000 0.575 93 P HA -0.032 nan 4.420 nan 0.000 0.271 93 P C -0.404 176.894 177.300 -0.002 0.000 1.233 93 P CA -0.452 62.584 63.100 -0.108 0.000 0.789 93 P CB 0.553 32.194 31.700 -0.098 0.000 0.951 94 V N 2.127 122.019 119.914 -0.037 0.000 2.529 94 V HA 0.036 4.205 4.120 0.082 0.000 0.292 94 V C 1.119 177.215 176.094 0.003 0.000 1.028 94 V CA 0.179 62.467 62.300 -0.019 0.000 1.074 94 V CB -0.299 31.536 31.823 0.020 0.000 0.958 94 V HN 0.440 nan 8.190 nan 0.000 0.481 95 R N 4.273 124.749 120.500 -0.039 0.000 2.308 95 R HA 0.443 4.832 4.340 0.082 0.000 0.305 95 R C -0.252 176.035 176.300 -0.023 0.000 1.053 95 R CA -0.186 55.896 56.100 -0.030 0.000 0.957 95 R CB 0.694 30.943 30.300 -0.084 0.000 1.022 95 R HN 0.845 nan 8.270 nan 0.000 0.461 96 E N 1.645 121.852 120.200 0.013 0.000 2.416 96 E HA 0.549 4.948 4.350 0.082 0.000 0.273 96 E C -1.454 175.161 176.600 0.026 0.000 0.935 96 E CA -1.212 55.193 56.400 0.009 0.000 0.784 96 E CB 2.094 31.846 29.700 0.086 0.000 1.301 96 E HN 0.645 nan 8.360 nan 0.000 0.454 97 A N 1.295 124.125 122.820 0.017 0.000 2.340 97 A HA 0.562 4.931 4.320 0.082 0.000 0.331 97 A C -0.610 177.042 177.584 0.112 0.000 1.140 97 A CA -0.605 51.465 52.037 0.056 0.000 0.801 97 A CB 1.126 20.141 19.000 0.025 0.000 1.234 97 A HN 0.543 nan 8.150 nan 0.000 0.469 98 R N 1.476 122.060 120.500 0.141 0.000 2.254 98 R HA 0.589 4.978 4.340 0.082 0.000 0.318 98 R C -0.722 175.699 176.300 0.202 0.000 1.031 98 R CA -0.004 56.207 56.100 0.185 0.000 0.905 98 R CB 0.868 31.278 30.300 0.183 0.000 1.050 98 R HN 0.835 nan 8.270 nan 0.000 0.456 99 A N 4.776 127.751 122.820 0.259 0.000 2.335 99 A HA 0.427 4.796 4.320 0.082 0.000 0.304 99 A C -1.039 176.758 177.584 0.355 0.000 1.118 99 A CA -0.680 51.522 52.037 0.275 0.000 0.757 99 A CB 1.691 20.846 19.000 0.257 0.000 1.188 99 A HN 0.494 nan 8.150 nan 0.000 0.460 100 V N 4.360 124.463 119.914 0.315 0.000 2.350 100 V HA 0.370 4.540 4.120 0.082 0.000 0.276 100 V C -0.158 176.115 176.094 0.299 0.000 1.028 100 V CA -0.056 62.454 62.300 0.351 0.000 0.860 100 V CB 0.849 32.894 31.823 0.371 0.000 0.990 100 V HN 0.723 nan 8.190 nan 0.000 0.453 101 I N 5.135 125.893 120.570 0.312 0.000 2.362 101 I HA 0.411 4.630 4.170 0.082 0.000 0.289 101 I C -0.774 175.444 176.117 0.169 0.000 0.994 101 I CA -0.465 60.881 61.300 0.076 0.000 1.158 101 I CB 1.630 39.499 38.000 -0.218 0.000 1.315 101 I HN 0.367 nan 8.210 nan 0.000 0.451 102 F N 6.045 125.987 119.950 -0.013 0.000 2.413 102 F HA 0.276 4.847 4.527 0.073 0.000 0.359 102 F C 0.101 175.963 175.800 0.104 0.000 1.122 102 F CA -0.807 57.311 58.000 0.196 0.000 1.160 102 F CB 0.008 39.136 39.000 0.212 0.000 1.146 102 F HN 0.251 nan 8.300 nan 0.000 0.514 103 F N 2.131 122.379 119.950 0.495 0.000 2.425 103 F HA 0.304 4.878 4.527 0.078 0.000 0.354 103 F C 1.365 177.071 175.800 -0.158 0.000 1.162 103 F CA -0.274 57.832 58.000 0.176 0.000 1.250 103 F CB 0.622 39.691 39.000 0.116 0.000 1.579 103 F HN 0.627 nan 8.300 nan 0.000 0.589 104 G N 0.042 108.848 108.800 0.010 0.000 2.838 104 G HA2 -0.123 3.886 3.960 0.082 0.000 0.210 104 G HA3 -0.123 3.886 3.960 0.082 0.000 0.210 104 G C 0.446 175.243 174.900 -0.172 0.000 1.153 104 G CA 0.020 44.894 45.100 -0.377 0.000 0.778 104 G HN 0.369 nan 8.290 nan 0.000 0.539 105 D N 0.892 121.283 120.400 -0.014 0.000 2.943 105 D HA 0.235 4.924 4.640 0.082 0.000 0.249 105 D C 0.438 176.713 176.300 -0.041 0.000 1.231 105 D CA -0.281 53.710 54.000 -0.014 0.000 0.979 105 D CB -0.436 40.383 40.800 0.032 0.000 1.053 105 D HN 0.560 nan 8.370 nan 0.000 0.504 106 Q N -2.094 117.640 119.800 -0.110 0.000 2.633 106 Q HA 0.456 4.845 4.340 0.082 0.000 0.289 106 Q C 0.624 176.506 176.000 -0.197 0.000 0.940 106 Q CA -0.801 54.926 55.803 -0.127 0.000 0.785 106 Q CB 0.211 28.885 28.738 -0.106 0.000 1.467 106 Q HN -0.135 nan 8.270 nan 0.000 0.401 107 E N 0.765 120.826 120.200 -0.231 0.000 2.085 107 E HA -0.132 4.267 4.350 0.082 0.000 0.194 107 E C 0.200 176.472 176.600 -0.546 0.000 0.994 107 E CA 1.925 58.087 56.400 -0.398 0.000 0.801 107 E CB -0.508 28.896 29.700 -0.493 0.000 0.743 107 E HN 0.549 nan 8.360 nan 0.000 0.453 108 H N 0.086 119.067 119.070 -0.148 0.000 2.539 108 H HA 0.359 4.965 4.556 0.084 0.000 0.247 108 H C -2.560 172.635 175.328 -0.223 0.000 1.363 108 H CA -2.785 53.164 56.048 -0.164 0.000 1.371 108 H CB 0.717 30.409 29.762 -0.117 0.000 1.438 108 H HN 0.194 nan 8.280 nan 0.000 0.523 109 P HA -0.039 nan 4.420 nan 0.000 0.267 109 P C 0.195 177.337 177.300 -0.264 0.000 1.200 109 P CA 0.298 63.034 63.100 -0.606 0.000 0.772 109 P CB 0.796 31.565 31.700 -1.552 0.000 0.855 110 N N 0.054 118.753 118.700 -0.003 0.000 2.934 110 N HA 0.445 5.234 4.740 0.082 0.000 0.253 110 N C -1.909 173.914 175.510 0.521 0.000 1.466 110 N CA -0.902 52.326 53.050 0.296 0.000 0.858 110 N CB 0.762 39.352 38.487 0.172 0.000 1.459 110 N HN -0.018 nan 8.380 nan 0.000 0.532 111 V N 0.126 120.272 119.914 0.386 0.000 2.435 111 V HA 0.670 4.840 4.120 0.082 0.000 0.290 111 V C -0.412 175.869 176.094 0.312 0.000 1.030 111 V CA -0.286 62.239 62.300 0.374 0.000 0.881 111 V CB 1.112 33.087 31.823 0.254 0.000 0.983 111 V HN 0.832 nan 8.190 nan 0.000 0.445 112 T N 4.172 118.961 114.554 0.393 0.000 2.861 112 T HA 0.477 4.876 4.350 0.082 0.000 0.287 112 T C -0.661 174.082 174.700 0.072 0.000 1.003 112 T CA -0.692 61.518 62.100 0.183 0.000 0.977 112 T CB 1.739 70.733 68.868 0.210 0.000 0.996 112 T HN 0.696 nan 8.240 nan 0.000 0.448 113 E N 1.624 121.756 120.200 -0.112 0.000 2.214 113 E HA 0.594 4.993 4.350 0.082 0.000 0.274 113 E C -1.178 175.223 176.600 -0.333 0.000 0.977 113 E CA -0.606 55.791 56.400 -0.005 0.000 0.827 113 E CB 1.549 31.334 29.700 0.142 0.000 1.130 113 E HN 0.413 nan 8.360 nan 0.000 0.394 114 F N 0.189 120.272 119.950 0.221 0.000 2.588 114 F HA 0.475 5.052 4.527 0.082 0.000 0.314 114 F C -0.008 175.908 175.800 0.193 0.000 1.069 114 F CA -1.084 57.042 58.000 0.210 0.000 0.931 114 F CB 1.620 40.753 39.000 0.222 0.000 1.260 114 F HN 0.412 nan 8.300 nan 0.000 0.465 115 A N 2.022 125.071 122.820 0.383 0.000 2.269 115 A HA 0.686 5.055 4.320 0.082 0.000 0.302 115 A C -0.975 176.782 177.584 0.289 0.000 1.266 115 A CA -0.502 51.718 52.037 0.305 0.000 0.894 115 A CB 0.161 19.340 19.000 0.298 0.000 1.147 115 A HN 0.542 nan 8.150 nan 0.000 0.537 116 V N 2.595 122.583 119.914 0.122 0.000 2.398 116 V HA 0.836 5.005 4.120 0.082 0.000 0.286 116 V C 0.708 176.571 176.094 -0.384 0.000 1.026 116 V CA 0.454 62.686 62.300 -0.114 0.000 0.868 116 V CB 1.185 32.995 31.823 -0.022 0.000 0.982 116 V HN 1.330 nan 8.190 nan 0.000 0.443 117 G N 5.441 113.649 108.800 -0.986 0.000 2.550 117 G HA2 0.669 4.678 3.960 0.082 0.000 0.293 117 G HA3 0.669 4.678 3.960 0.082 0.000 0.293 117 G C -3.452 170.724 174.900 -1.207 0.000 1.402 117 G CA -0.847 43.688 45.100 -0.941 0.000 0.784 117 G HN 0.479 nan 8.290 nan 0.000 0.482 118 P HA 0.600 nan 4.420 nan 0.000 0.282 118 P C -0.811 176.347 177.300 -0.237 0.000 1.287 118 P CA -0.545 62.428 63.100 -0.212 0.000 0.792 118 P CB 1.549 33.222 31.700 -0.045 0.000 1.163 119 L N 0.626 121.749 121.223 -0.167 0.000 2.385 119 L HA 0.469 4.858 4.340 0.082 0.000 0.273 119 L C -1.961 174.823 176.870 -0.144 0.000 0.990 119 L CA -2.122 52.624 54.840 -0.156 0.000 0.821 119 L CB 1.822 43.801 42.059 -0.133 0.000 1.279 119 L HN 0.299 nan 8.230 nan 0.000 0.412 120 P HA 0.232 nan 4.420 nan 0.000 0.274 120 P C 0.205 177.429 177.300 -0.126 0.000 1.246 120 P CA 0.002 63.030 63.100 -0.119 0.000 0.795 120 P CB 0.919 32.562 31.700 -0.096 0.000 1.006 121 G N 0.612 109.335 108.800 -0.128 0.000 2.470 121 G HA2 -0.097 3.912 3.960 0.082 0.000 0.286 121 G HA3 -0.097 3.912 3.960 0.082 0.000 0.286 121 G C -2.490 172.284 174.900 -0.210 0.000 1.115 121 G CA -0.680 44.344 45.100 -0.127 0.000 1.122 121 G HN 0.522 nan 8.290 nan 0.000 0.522 122 P HA 0.299 nan 4.420 nan 0.000 0.268 122 P C 1.112 177.992 177.300 -0.699 0.000 1.205 122 P CA 0.510 63.214 63.100 -0.660 0.000 0.771 122 P CB 1.165 32.302 31.700 -0.939 0.000 0.858 123 C N 1.478 120.418 119.300 -0.601 0.000 3.911 123 C HA 0.435 4.944 4.460 0.082 0.000 0.318 123 C C -0.066 174.971 174.990 0.077 0.000 1.643 123 C CA -0.464 58.457 59.018 -0.163 0.000 1.845 123 C CB -1.381 26.374 27.740 0.026 0.000 2.981 123 C HN 0.593 nan 8.230 nan 0.000 0.656 124 Y N -1.045 119.195 120.300 -0.099 0.000 2.638 124 Y HA 0.830 5.430 4.550 0.083 0.000 0.339 124 Y C -0.767 175.240 175.900 0.178 0.000 1.084 124 Y CA -2.008 56.163 58.100 0.118 0.000 1.068 124 Y CB 1.136 39.638 38.460 0.071 0.000 1.294 124 Y HN 0.139 nan 8.280 nan 0.000 0.480 125 M N 2.398 122.286 119.600 0.481 0.000 2.164 125 M HA 0.741 5.271 4.480 0.082 0.000 0.260 125 M C -1.661 174.928 176.300 0.482 0.000 0.974 125 M CA -0.398 55.142 55.300 0.401 0.000 1.020 125 M CB 1.296 34.044 32.600 0.245 0.000 1.903 125 M HN 1.159 nan 8.290 nan 0.000 0.469 126 R N 3.235 124.067 120.500 0.554 0.000 2.393 126 R HA 0.899 5.288 4.340 0.082 0.000 0.315 126 R C -0.276 176.277 176.300 0.422 0.000 0.952 126 R CA 0.008 56.374 56.100 0.443 0.000 0.842 126 R CB 1.176 31.654 30.300 0.296 0.000 1.163 126 R HN 0.964 nan 8.270 nan 0.000 0.450 127 A N 2.369 125.372 122.820 0.305 0.000 2.498 127 A HA 0.594 4.963 4.320 0.082 0.000 0.239 127 A C 0.086 177.648 177.584 -0.037 0.000 1.068 127 A CA 0.034 52.008 52.037 -0.106 0.000 0.766 127 A CB 0.080 19.018 19.000 -0.102 0.000 1.003 127 A HN 0.789 nan 8.150 nan 0.000 0.497 128 L N 0.875 122.038 121.223 -0.100 0.000 2.319 128 L HA 0.660 5.049 4.340 0.082 0.000 0.267 128 L C 1.273 178.141 176.870 -0.003 0.000 1.011 128 L CA -0.045 54.797 54.840 0.004 0.000 0.818 128 L CB 1.405 43.497 42.059 0.056 0.000 1.316 128 L HN 1.138 nan 8.230 nan 0.000 0.432 129 S N 1.258 116.977 115.700 0.030 0.000 3.292 129 S HA -0.120 4.399 4.470 0.082 0.000 0.360 129 S C -1.429 173.175 174.600 0.007 0.000 0.930 129 S CA -0.263 57.956 58.200 0.031 0.000 1.317 129 S CB -1.965 61.270 63.200 0.058 0.000 0.920 129 S HN 0.441 nan 8.310 nan 0.000 0.540 130 P HA 0.367 nan 4.420 nan 0.000 0.269 130 P C -0.370 176.932 177.300 0.004 0.000 1.209 130 P CA -0.068 63.034 63.100 0.002 0.000 0.776 130 P CB 0.436 32.139 31.700 0.006 0.000 0.876 131 R N 2.242 122.753 120.500 0.017 0.000 2.494 131 R HA 0.330 4.719 4.340 0.082 0.000 0.284 131 R C -2.327 174.008 176.300 0.057 0.000 1.525 131 R CA -1.589 54.524 56.100 0.022 0.000 1.460 131 R CB 0.724 31.023 30.300 -0.002 0.000 1.134 131 R HN 0.391 nan 8.270 nan 0.000 0.592 132 P HA 0.031 nan 4.420 nan 0.000 0.263 132 P C 0.865 178.187 177.300 0.036 0.000 1.195 132 P CA 0.843 63.958 63.100 0.025 0.000 0.762 132 P CB 0.901 32.607 31.700 0.010 0.000 0.799 133 G N 2.034 110.851 108.800 0.029 0.000 2.241 133 G HA2 -0.296 3.713 3.960 0.082 0.000 0.244 133 G HA3 -0.296 3.713 3.960 0.082 0.000 0.244 133 G C -0.070 174.867 174.900 0.062 0.000 0.998 133 G CA -0.218 44.897 45.100 0.026 0.000 0.621 133 G HN 0.596 nan 8.290 nan 0.000 0.519 134 Y N 1.966 122.239 120.300 -0.045 0.000 2.359 134 Y HA 0.549 5.148 4.550 0.081 0.000 0.334 134 Y C 1.396 177.268 175.900 -0.048 0.000 1.058 134 Y CA 0.178 58.250 58.100 -0.047 0.000 1.244 134 Y CB 0.812 39.242 38.460 -0.051 0.000 1.187 134 Y HN 0.217 nan 8.280 nan 0.000 0.510 135 Q N 2.393 121.857 119.800 -0.561 0.000 2.217 135 Q HA 0.125 4.515 4.340 0.082 0.000 0.217 135 Q C 0.706 176.373 176.000 -0.555 0.000 0.844 135 Q CA 0.080 55.620 55.803 -0.439 0.000 0.957 135 Q CB 0.851 29.439 28.738 -0.250 0.000 1.127 135 Q HN 0.580 nan 8.270 nan 0.000 0.503 136 S N 0.101 115.164 115.700 -1.062 0.000 2.582 136 S HA 0.032 4.551 4.470 0.082 0.000 0.234 136 S C 1.462 175.853 174.600 -0.347 0.000 0.961 136 S CA -0.048 57.800 58.200 -0.587 0.000 0.953 136 S CB 0.327 63.304 63.200 -0.372 0.000 0.800 136 S HN 0.298 nan 8.310 nan 0.000 0.471 137 S N 1.490 116.991 115.700 -0.331 0.000 2.368 137 S HA -0.207 4.312 4.470 0.082 0.000 0.226 137 S C 1.535 176.163 174.600 0.047 0.000 1.044 137 S CA 1.362 59.571 58.200 0.015 0.000 1.062 137 S CB -0.367 62.863 63.200 0.051 0.000 0.931 137 S HN 0.851 nan 8.310 nan 0.000 0.440 138 W N 1.562 122.773 121.300 -0.148 0.000 2.381 138 W HA -0.057 4.644 4.660 0.068 0.000 0.301 138 W C 2.466 178.878 176.519 -0.178 0.000 1.205 138 W CA 1.034 58.276 57.345 -0.171 0.000 1.285 138 W CB -0.566 28.820 29.460 -0.123 0.000 1.133 138 W HN 0.500 nan 8.180 nan 0.000 0.521 139 A N 0.476 123.267 122.820 -0.049 0.000 1.972 139 A HA -0.233 4.136 4.320 0.082 0.000 0.219 139 A C 1.982 179.484 177.584 -0.137 0.000 1.169 139 A CA 2.244 54.204 52.037 -0.130 0.000 0.635 139 A CB -1.138 17.829 19.000 -0.054 0.000 0.810 139 A HN 0.356 nan 8.150 nan 0.000 0.446 140 S N 0.233 115.898 115.700 -0.059 0.000 2.489 140 S HA -0.058 4.461 4.470 0.082 0.000 0.228 140 S C 1.139 175.739 174.600 -0.001 0.000 0.995 140 S CA 0.186 58.410 58.200 0.040 0.000 0.934 140 S CB -0.490 62.809 63.200 0.165 0.000 0.771 140 S HN 0.750 nan 8.310 nan 0.000 0.522 141 R N 1.483 121.848 120.500 -0.225 0.000 2.694 141 R HA 0.370 4.760 4.340 0.082 0.000 0.268 141 R C -2.966 173.099 176.300 -0.392 0.000 1.061 141 R CA -1.413 54.463 56.100 -0.373 0.000 1.133 141 R CB -0.780 28.864 30.300 -1.093 0.000 1.020 141 R HN 0.064 nan 8.270 nan 0.000 0.475 142 P HA -0.013 nan 4.420 nan 0.000 0.270 142 P C 0.007 177.121 177.300 -0.311 0.000 1.223 142 P CA -0.181 62.728 63.100 -0.317 0.000 0.785 142 P CB 0.459 32.068 31.700 -0.153 0.000 0.923 143 I N 0.998 121.382 120.570 -0.309 0.000 3.004 143 I HA 0.169 4.388 4.170 0.082 0.000 0.287 143 I C 0.326 176.437 176.117 -0.011 0.000 1.144 143 I CA 0.758 61.916 61.300 -0.235 0.000 1.353 143 I CB 0.533 38.314 38.000 -0.364 0.000 1.417 143 I HN 0.482 nan 8.210 nan 0.000 0.602 144 S N 2.258 117.967 115.700 0.015 0.000 2.618 144 S HA 0.343 4.862 4.470 0.082 0.000 0.277 144 S C 0.417 175.182 174.600 0.275 0.000 1.138 144 S CA -0.385 57.964 58.200 0.248 0.000 0.844 144 S CB 1.535 64.919 63.200 0.308 0.000 1.127 144 S HN 0.642 nan 8.310 nan 0.000 0.474 145 T N 1.738 116.512 114.554 0.367 0.000 2.665 145 T HA -0.118 4.281 4.350 0.082 0.000 0.268 145 T C 2.150 177.042 174.700 0.320 0.000 1.035 145 T CA 2.186 64.517 62.100 0.386 0.000 1.151 145 T CB -0.989 68.046 68.868 0.278 0.000 0.862 145 T HN 0.909 nan 8.240 nan 0.000 0.438 146 A N 0.992 123.964 122.820 0.253 0.000 1.933 146 A HA -0.143 4.226 4.320 0.082 0.000 0.218 146 A C 2.180 179.917 177.584 0.254 0.000 1.175 146 A CA 1.994 54.167 52.037 0.226 0.000 0.628 146 A CB -0.593 18.530 19.000 0.205 0.000 0.814 146 A HN 0.635 nan 8.150 nan 0.000 0.444 147 E N -1.628 118.717 120.200 0.241 0.000 2.106 147 E HA -0.192 4.207 4.350 0.082 0.000 0.192 147 E C 1.673 178.439 176.600 0.277 0.000 0.984 147 E CA 1.083 57.642 56.400 0.264 0.000 0.806 147 E CB -0.224 29.544 29.700 0.113 0.000 0.750 147 E HN 0.692 nan 8.360 nan 0.000 0.458 148 Y N 0.321 120.799 120.300 0.297 0.000 2.145 148 Y HA -0.151 4.447 4.550 0.081 0.000 0.286 148 Y C 2.330 178.434 175.900 0.341 0.000 1.145 148 Y CA 1.176 59.472 58.100 0.328 0.000 1.148 148 Y CB -0.861 37.746 38.460 0.246 0.000 0.981 148 Y HN 0.152 nan 8.280 nan 0.000 0.507 149 A N -0.134 122.934 122.820 0.414 0.000 1.940 149 A HA -0.178 4.191 4.320 0.082 0.000 0.219 149 A C 2.288 180.074 177.584 0.336 0.000 1.176 149 A CA 1.790 54.011 52.037 0.307 0.000 0.631 149 A CB -1.099 18.019 19.000 0.197 0.000 0.814 149 A HN 0.482 nan 8.150 nan 0.000 0.446 150 L N -1.027 120.390 121.223 0.324 0.000 2.072 150 L HA -0.089 4.300 4.340 0.082 0.000 0.205 150 L C 2.545 179.681 176.870 0.444 0.000 1.079 150 L CA 0.679 55.684 54.840 0.275 0.000 0.752 150 L CB -0.448 41.669 42.059 0.097 0.000 0.906 150 L HN 0.354 nan 8.230 nan 0.000 0.436 151 L N -1.403 120.150 121.223 0.551 0.000 2.012 151 L HA -0.293 4.096 4.340 0.082 0.000 0.210 151 L C 2.626 179.638 176.870 0.237 0.000 1.073 151 L CA 1.568 56.625 54.840 0.362 0.000 0.748 151 L CB -0.562 41.627 42.059 0.216 0.000 0.891 151 L HN 0.198 nan 8.230 nan 0.000 0.431 152 Y N -0.266 120.212 120.300 0.297 0.000 2.181 152 Y HA -0.348 4.250 4.550 0.080 0.000 0.288 152 Y C 2.812 178.764 175.900 0.086 0.000 1.146 152 Y CA 2.118 60.363 58.100 0.241 0.000 1.164 152 Y CB -0.236 38.421 38.460 0.329 0.000 0.982 152 Y HN 0.257 nan 8.280 nan 0.000 0.515 153 H N -0.935 118.243 119.070 0.180 0.000 2.353 153 H HA -0.123 4.485 4.556 0.088 0.000 0.300 153 H C 2.045 177.350 175.328 -0.038 0.000 1.090 153 H CA 2.398 58.480 56.048 0.056 0.000 1.327 153 H CB -0.414 29.387 29.762 0.066 0.000 1.383 153 H HN 0.262 nan 8.280 nan 0.000 0.508 154 T N 1.047 115.565 114.554 -0.059 0.000 2.746 154 T HA -0.118 4.281 4.350 0.082 0.000 0.267 154 T C 2.277 176.840 174.700 -0.228 0.000 1.039 154 T CA 1.381 63.416 62.100 -0.109 0.000 1.142 154 T CB -0.320 68.634 68.868 0.142 0.000 0.866 154 T HN 0.237 nan 8.240 nan 0.000 0.444 155 L N 0.803 121.833 121.223 -0.322 0.000 2.017 155 L HA -0.186 4.203 4.340 0.082 0.000 0.208 155 L C 3.545 180.059 176.870 -0.593 0.000 1.073 155 L CA 1.918 56.460 54.840 -0.496 0.000 0.745 155 L CB -1.144 40.460 42.059 -0.759 0.000 0.894 155 L HN 0.387 nan 8.230 nan 0.000 0.432 156 Q N -0.009 119.388 119.800 -0.671 0.000 2.061 156 Q HA -0.263 4.126 4.340 0.082 0.000 0.204 156 Q C 1.990 177.836 176.000 -0.257 0.000 0.984 156 Q CA 1.909 57.419 55.803 -0.488 0.000 0.846 156 Q CB -0.645 27.895 28.738 -0.329 0.000 0.902 156 Q HN 0.514 nan 8.270 nan 0.000 0.421 157 E N -0.181 119.836 120.200 -0.305 0.000 2.028 157 E HA 0.009 4.408 4.350 0.082 0.000 0.190 157 E C 2.403 178.918 176.600 -0.141 0.000 0.984 157 E CA 1.195 57.460 56.400 -0.225 0.000 0.800 157 E CB -0.531 28.977 29.700 -0.320 0.000 0.758 157 E HN 0.672 nan 8.360 nan 0.000 0.448 158 A N 1.302 124.033 122.820 -0.148 0.000 2.019 158 A HA -0.134 4.235 4.320 0.082 0.000 0.219 158 A C 2.262 179.815 177.584 -0.051 0.000 1.164 158 A CA 2.145 54.130 52.037 -0.087 0.000 0.644 158 A CB -0.700 18.253 19.000 -0.079 0.000 0.805 158 A HN 0.354 nan 8.150 nan 0.000 0.449 159 T N -3.437 111.099 114.554 -0.029 0.000 3.122 159 T HA 0.189 4.588 4.350 0.082 0.000 0.250 159 T C 1.342 176.092 174.700 0.083 0.000 1.067 159 T CA 0.400 62.547 62.100 0.078 0.000 0.966 159 T CB -0.039 69.042 68.868 0.355 0.000 1.002 159 T HN 0.466 nan 8.240 nan 0.000 0.542 160 K N 1.710 122.136 120.400 0.042 0.000 2.113 160 K HA -0.075 4.294 4.320 0.082 0.000 0.208 160 K C -0.757 175.853 176.600 0.017 0.000 1.047 160 K CA 1.652 57.967 56.287 0.046 0.000 0.928 160 K CB -1.138 31.359 32.500 -0.006 0.000 0.716 160 K HN 0.378 nan 8.250 nan 0.000 0.446 161 P HA -0.117 nan 4.420 nan 0.000 0.222 161 P C 0.828 178.053 177.300 -0.125 0.000 1.147 161 P CA 1.056 64.119 63.100 -0.062 0.000 0.790 161 P CB 0.093 31.744 31.700 -0.080 0.000 0.780 162 L N -2.497 118.574 121.223 -0.252 0.000 2.611 162 L HA 0.047 4.436 4.340 0.082 0.000 0.229 162 L C 2.176 178.716 176.870 -0.551 0.000 1.137 162 L CA 0.083 54.594 54.840 -0.549 0.000 0.901 162 L CB -0.738 40.724 42.059 -0.995 0.000 1.098 162 L HN 0.044 nan 8.230 nan 0.000 0.456 163 H N 1.314 120.255 119.070 -0.216 0.000 2.289 163 H HA -0.272 4.333 4.556 0.082 0.000 0.296 163 H C 2.352 177.702 175.328 0.037 0.000 1.091 163 H CA 2.888 58.948 56.048 0.021 0.000 1.274 163 H CB 0.218 30.028 29.762 0.079 0.000 1.364 163 H HN 0.383 nan 8.280 nan 0.000 0.490 164 Q N 0.115 119.931 119.800 0.028 0.000 2.119 164 Q HA -0.105 4.284 4.340 0.082 0.000 0.201 164 Q C 2.401 178.371 176.000 -0.049 0.000 0.972 164 Q CA 1.483 57.296 55.803 0.016 0.000 0.847 164 Q CB -1.363 27.452 28.738 0.128 0.000 0.903 164 Q HN 0.705 nan 8.270 nan 0.000 0.433 165 F N 0.414 120.163 119.950 -0.335 0.000 2.095 165 F HA -0.096 4.479 4.527 0.081 0.000 0.298 165 F C 1.872 177.421 175.800 -0.419 0.000 1.104 165 F CA 1.669 59.247 58.000 -0.705 0.000 1.232 165 F CB -0.216 38.227 39.000 -0.929 0.000 0.987 165 F HN 0.248 nan 8.300 nan 0.000 0.475 166 F N 0.752 120.525 119.950 -0.295 0.000 2.069 166 F HA -0.210 4.366 4.527 0.081 0.000 0.298 166 F C 2.382 177.987 175.800 -0.325 0.000 1.113 166 F CA 1.334 59.137 58.000 -0.328 0.000 1.214 166 F CB -1.473 37.432 39.000 -0.159 0.000 0.978 166 F HN 0.009 nan 8.300 nan 0.000 0.474 167 L N -0.390 120.780 121.223 -0.089 0.000 2.017 167 L HA -0.258 4.131 4.340 0.082 0.000 0.208 167 L C 2.252 179.068 176.870 -0.089 0.000 1.073 167 L CA 1.406 56.188 54.840 -0.097 0.000 0.745 167 L CB -0.721 41.260 42.059 -0.131 0.000 0.894 167 L HN 0.115 nan 8.230 nan 0.000 0.432 168 N N -0.552 118.073 118.700 -0.125 0.000 2.166 168 N HA -0.143 4.646 4.740 0.082 0.000 0.186 168 N C 1.841 177.258 175.510 -0.155 0.000 1.019 168 N CA 1.931 54.928 53.050 -0.089 0.000 0.856 168 N CB -0.414 38.078 38.487 0.008 0.000 0.993 168 N HN 0.464 nan 8.380 nan 0.000 0.426 169 T N -4.080 110.269 114.554 -0.341 0.000 3.051 169 T HA 0.057 4.456 4.350 0.082 0.000 0.255 169 T C 1.670 176.245 174.700 -0.208 0.000 1.085 169 T CA 1.308 63.196 62.100 -0.354 0.000 1.109 169 T CB -0.083 68.334 68.868 -0.752 0.000 0.921 169 T HN 0.299 nan 8.240 nan 0.000 0.488 170 T N -3.293 111.165 114.554 -0.160 0.000 2.993 170 T HA 0.474 4.873 4.350 0.082 0.000 0.260 170 T C 1.912 176.658 174.700 0.077 0.000 0.939 170 T CA 0.828 62.872 62.100 -0.094 0.000 0.886 170 T CB -0.142 68.626 68.868 -0.166 0.000 1.209 170 T HN 0.889 nan 8.240 nan 0.000 0.518 171 G N 1.219 110.075 108.800 0.093 0.000 2.175 171 G HA2 -0.204 3.806 3.960 0.082 0.000 0.265 171 G HA3 -0.204 3.806 3.960 0.082 0.000 0.265 171 G C -0.172 174.882 174.900 0.256 0.000 0.979 171 G CA 0.549 45.749 45.100 0.166 0.000 0.663 171 G HN 0.553 nan 8.290 nan 0.000 0.533 172 F N 0.452 120.324 119.950 -0.130 0.000 2.618 172 F HA 0.848 5.424 4.527 0.081 0.000 0.332 172 F C 0.694 176.356 175.800 -0.229 0.000 1.061 172 F CA -0.764 57.137 58.000 -0.166 0.000 0.974 172 F CB 2.171 41.050 39.000 -0.202 0.000 1.310 172 F HN 0.556 nan 8.300 nan 0.000 0.491 173 S N -0.662 114.978 115.700 -0.099 0.000 2.703 173 S HA 0.499 5.018 4.470 0.082 0.000 0.273 173 S C -0.679 173.765 174.600 -0.259 0.000 1.178 173 S CA -0.583 57.510 58.200 -0.178 0.000 0.838 173 S CB 0.825 64.032 63.200 0.012 0.000 1.178 173 S HN 0.239 nan 8.310 nan 0.000 0.494 174 F N 1.052 121.044 119.950 0.070 0.000 2.746 174 F HA 0.442 5.019 4.527 0.083 0.000 0.297 174 F C 1.038 176.886 175.800 0.079 0.000 1.113 174 F CA 0.022 58.044 58.000 0.038 0.000 1.367 174 F CB 0.296 39.278 39.000 -0.030 0.000 1.111 174 F HN 0.445 nan 8.300 nan 0.000 0.590 175 Q N 0.308 120.285 119.800 0.296 0.000 2.340 175 Q HA 0.208 4.597 4.340 0.082 0.000 0.268 175 Q C -0.724 175.340 176.000 0.107 0.000 1.031 175 Q CA -0.700 55.206 55.803 0.171 0.000 0.804 175 Q CB 1.613 30.406 28.738 0.093 0.000 1.286 175 Q HN 0.136 nan 8.270 nan 0.000 0.448 176 D N 1.106 121.489 120.400 -0.028 0.000 2.686 176 D HA -0.197 4.493 4.640 0.082 0.000 0.235 176 D C 0.700 176.890 176.300 -0.184 0.000 1.160 176 D CA 0.922 54.841 54.000 -0.134 0.000 0.645 176 D CB -1.143 39.694 40.800 0.060 0.000 1.039 176 D HN 0.778 nan 8.370 nan 0.000 0.423 177 c N -2.950 115.475 118.600 -0.293 0.000 2.558 177 c HA 0.078 4.697 4.570 0.082 0.000 0.288 177 c C 1.860 175.862 174.090 -0.146 0.000 1.338 177 c CA 0.506 56.739 56.329 -0.159 0.000 1.760 177 c CB 0.130 42.583 42.510 -0.094 0.000 2.159 177 c HN 0.657 nan 8.230 nan 0.000 0.518 178 H N 2.721 121.782 119.070 -0.015 0.000 1.453 178 H HA -0.237 4.368 4.556 0.082 0.000 0.090 178 H C 0.958 176.252 175.328 -0.058 0.000 0.605 178 H CA 2.672 58.703 56.048 -0.028 0.000 1.901 178 H CB -1.944 27.797 29.762 -0.034 0.000 2.257 178 H HN 0.662 nan 8.280 nan 0.000 0.961 179 D N 2.555 122.973 120.400 0.030 0.000 2.339 179 D HA 0.058 4.747 4.640 0.082 0.000 0.217 179 D C 0.638 176.774 176.300 -0.273 0.000 1.050 179 D CA 0.379 54.331 54.000 -0.080 0.000 0.856 179 D CB 0.060 40.813 40.800 -0.077 0.000 0.922 179 D HN 0.360 nan 8.370 nan 0.000 0.518 180 R N 0.122 120.365 120.500 -0.428 0.000 2.835 180 R HA 0.350 4.739 4.340 0.082 0.000 0.290 180 R C -1.019 174.911 176.300 -0.617 0.000 1.410 180 R CA -0.417 55.002 56.100 -1.134 0.000 1.590 180 R CB 0.575 30.148 30.300 -1.212 0.000 1.288 180 R HN 0.038 nan 8.270 nan 0.000 0.637 181 c N 1.595 120.119 118.600 -0.126 0.000 2.358 181 c HA 0.468 5.087 4.570 0.082 0.000 0.342 181 c C 0.776 174.957 174.090 0.152 0.000 1.234 181 c CA -0.840 55.505 56.329 0.027 0.000 1.969 181 c CB 0.647 43.193 42.510 0.060 0.000 2.346 181 c HN 0.560 nan 8.230 nan 0.000 0.525 182 L N 2.735 123.833 121.223 -0.208 0.000 2.436 182 L HA 0.572 4.961 4.340 0.082 0.000 0.265 182 L C 0.611 177.396 176.870 -0.141 0.000 1.168 182 L CA 0.208 54.807 54.840 -0.401 0.000 0.815 182 L CB 0.343 41.682 42.059 -1.200 0.000 1.109 182 L HN 0.872 nan 8.230 nan 0.000 0.462 183 A N 1.875 124.717 122.820 0.036 0.000 2.486 183 A HA 0.894 5.263 4.320 0.082 0.000 0.289 183 A C -1.213 176.591 177.584 0.366 0.000 1.176 183 A CA -0.455 51.691 52.037 0.182 0.000 0.757 183 A CB 1.714 20.628 19.000 -0.144 0.000 1.337 183 A HN 0.579 nan 8.150 nan 0.000 0.423 184 F N -1.767 118.349 119.950 0.278 0.000 2.599 184 F HA 0.822 5.397 4.527 0.079 0.000 0.311 184 F C -0.571 175.415 175.800 0.310 0.000 1.076 184 F CA -0.654 57.525 58.000 0.297 0.000 0.937 184 F CB 1.734 40.915 39.000 0.303 0.000 1.282 184 F HN 0.325 nan 8.300 nan 0.000 0.460 185 T N 2.462 117.317 114.554 0.502 0.000 2.791 185 T HA 0.272 4.671 4.350 0.082 0.000 0.288 185 T C -1.122 173.885 174.700 0.513 0.000 0.999 185 T CA -0.680 61.663 62.100 0.404 0.000 0.952 185 T CB 0.681 69.854 68.868 0.508 0.000 0.938 185 T HN 0.707 nan 8.240 nan 0.000 0.444 186 D N 2.410 123.123 120.400 0.522 0.000 2.304 186 D HA 0.336 5.025 4.640 0.082 0.000 0.247 186 D C 0.522 177.103 176.300 0.470 0.000 1.089 186 D CA -0.525 53.796 54.000 0.534 0.000 0.910 186 D CB 1.217 42.377 40.800 0.601 0.000 1.199 186 D HN 0.359 nan 8.370 nan 0.000 0.426 187 V N -2.051 118.098 119.914 0.392 0.000 2.975 187 V HA 0.935 5.104 4.120 0.082 0.000 0.318 187 V C -0.354 175.892 176.094 0.253 0.000 1.077 187 V CA -0.864 61.573 62.300 0.228 0.000 1.000 187 V CB 1.040 32.903 31.823 0.066 0.000 1.066 187 V HN 1.016 nan 8.190 nan 0.000 0.452 188 A N 3.062 125.951 122.820 0.114 0.000 2.556 188 A HA 0.991 5.361 4.320 0.082 0.000 0.294 188 A C -3.007 174.595 177.584 0.030 0.000 1.091 188 A CA -1.866 50.282 52.037 0.184 0.000 0.704 188 A CB 1.875 21.108 19.000 0.389 0.000 1.300 188 A HN 0.786 nan 8.150 nan 0.000 0.406 189 P HA 0.338 nan 4.420 nan 0.000 0.275 189 P C -0.918 176.486 177.300 0.172 0.000 1.266 189 P CA -0.215 62.917 63.100 0.054 0.000 0.793 189 P CB 0.551 32.143 31.700 -0.179 0.000 1.074 190 R N 0.285 120.916 120.500 0.219 0.000 2.724 190 R HA 0.638 5.027 4.340 0.082 0.000 0.284 190 R C 0.383 176.787 176.300 0.174 0.000 1.481 190 R CA -0.337 55.867 56.100 0.174 0.000 1.652 190 R CB 0.440 30.786 30.300 0.076 0.000 1.175 190 R HN 0.871 nan 8.270 nan 0.000 0.613 191 G N -0.449 108.492 108.800 0.236 0.000 2.302 191 G HA2 -0.114 3.895 3.960 0.082 0.000 0.276 191 G HA3 -0.114 3.895 3.960 0.082 0.000 0.276 191 G C -0.105 174.893 174.900 0.164 0.000 1.316 191 G CA -0.335 44.835 45.100 0.117 0.000 0.988 191 G HN 0.241 nan 8.290 nan 0.000 0.479 192 V N -3.222 116.597 119.914 -0.157 0.000 3.477 192 V HA 0.788 4.957 4.120 0.082 0.000 0.297 192 V C 0.736 176.261 176.094 -0.948 0.000 1.433 192 V CA 1.353 63.504 62.300 -0.249 0.000 1.052 192 V CB 0.001 31.744 31.823 -0.133 0.000 0.895 192 V HN 2.482 nan 8.190 nan 0.000 0.438 193 A N -0.257 121.705 122.820 -1.430 0.000 2.612 193 A HA 0.723 5.092 4.320 0.082 0.000 0.293 193 A C -0.279 176.599 177.584 -1.177 0.000 1.075 193 A CA 0.104 51.233 52.037 -1.514 0.000 0.680 193 A CB 1.170 19.752 19.000 -0.697 0.000 1.279 193 A HN 0.462 nan 8.150 nan 0.000 0.411 194 S N -0.329 115.021 115.700 -0.583 0.000 2.546 194 S HA 0.426 4.945 4.470 0.082 0.000 0.290 194 S C 1.396 175.929 174.600 -0.111 0.000 1.290 194 S CA 1.752 59.936 58.200 -0.026 0.000 1.069 194 S CB -0.060 63.206 63.200 0.110 0.000 0.846 194 S HN 2.628 nan 8.310 nan 0.000 0.495 195 G N 3.658 112.434 108.800 -0.040 0.000 2.218 195 G HA2 -0.177 3.832 3.960 0.082 0.000 0.216 195 G HA3 -0.177 3.832 3.960 0.082 0.000 0.216 195 G C -0.049 174.795 174.900 -0.093 0.000 0.994 195 G CA 0.027 45.074 45.100 -0.088 0.000 0.637 195 G HN 0.731 nan 8.290 nan 0.000 0.505 196 Q N -0.278 119.455 119.800 -0.111 0.000 2.306 196 Q HA 0.652 5.041 4.340 0.082 0.000 0.241 196 Q C 0.282 176.215 176.000 -0.112 0.000 0.948 196 Q CA -0.314 55.413 55.803 -0.126 0.000 0.886 196 Q CB 1.176 29.816 28.738 -0.164 0.000 1.227 196 Q HN 0.277 nan 8.270 nan 0.000 0.457 197 R N 1.456 121.832 120.500 -0.207 0.000 2.687 197 R HA 0.241 4.630 4.340 0.082 0.000 0.264 197 R C -1.201 174.828 176.300 -0.451 0.000 1.715 197 R CA -0.168 55.714 56.100 -0.364 0.000 1.633 197 R CB 0.440 30.423 30.300 -0.529 0.000 1.353 197 R HN 0.501 nan 8.270 nan 0.000 0.653 198 R N 0.960 121.325 120.500 -0.226 0.000 2.358 198 R HA 0.355 4.744 4.340 0.082 0.000 0.309 198 R C -0.984 175.264 176.300 -0.088 0.000 1.026 198 R CA -0.494 55.500 56.100 -0.176 0.000 0.909 198 R CB 2.202 32.402 30.300 -0.167 0.000 1.153 198 R HN 0.176 nan 8.270 nan 0.000 0.515 199 S N 1.983 117.678 115.700 -0.008 0.000 2.462 199 S HA 0.312 4.831 4.470 0.082 0.000 0.294 199 S C -0.763 173.834 174.600 -0.005 0.000 1.144 199 S CA -0.773 57.482 58.200 0.092 0.000 1.088 199 S CB 0.750 64.098 63.200 0.246 0.000 1.009 199 S HN 0.377 nan 8.310 nan 0.000 0.484 200 W N 3.280 124.648 121.300 0.113 0.000 2.266 200 W HA 0.468 5.178 4.660 0.083 0.000 0.317 200 W C -0.442 176.161 176.519 0.140 0.000 1.310 200 W CA -0.540 56.867 57.345 0.104 0.000 1.207 200 W CB 0.446 29.949 29.460 0.072 0.000 1.199 200 W HN 0.345 nan 8.180 nan 0.000 0.544 201 L N 5.723 127.211 121.223 0.443 0.000 2.356 201 L HA 0.485 4.875 4.340 0.082 0.000 0.277 201 L C -0.370 176.740 176.870 0.401 0.000 0.996 201 L CA -1.056 54.011 54.840 0.377 0.000 0.822 201 L CB 1.184 43.339 42.059 0.161 0.000 1.256 201 L HN 0.259 nan 8.230 nan 0.000 0.413 202 I N 4.441 125.248 120.570 0.395 0.000 2.337 202 I HA 0.201 4.420 4.170 0.082 0.000 0.291 202 I C -0.003 176.335 176.117 0.368 0.000 1.046 202 I CA -0.432 61.063 61.300 0.325 0.000 1.324 202 I CB 0.950 39.105 38.000 0.259 0.000 1.409 202 I HN 0.337 nan 8.210 nan 0.000 0.494 203 I N 6.711 127.476 120.570 0.324 0.000 2.441 203 I HA 0.265 4.484 4.170 0.082 0.000 0.287 203 I C 0.144 176.383 176.117 0.204 0.000 1.049 203 I CA -0.104 61.369 61.300 0.290 0.000 1.381 203 I CB 0.687 38.836 38.000 0.249 0.000 1.409 203 I HN 0.648 nan 8.210 nan 0.000 0.523 204 Q N 4.732 124.637 119.800 0.174 0.000 2.423 204 Q HA 0.503 4.892 4.340 0.082 0.000 0.278 204 Q C -0.745 175.261 176.000 0.009 0.000 1.097 204 Q CA -0.918 54.969 55.803 0.139 0.000 0.809 204 Q CB 2.657 31.546 28.738 0.252 0.000 1.391 204 Q HN 0.400 nan 8.270 nan 0.000 0.428 205 R N 1.001 121.449 120.500 -0.087 0.000 2.347 205 R HA 0.084 4.473 4.340 0.082 0.000 0.304 205 R C -0.897 175.372 176.300 -0.051 0.000 1.072 205 R CA -0.188 55.734 56.100 -0.296 0.000 0.980 205 R CB 0.330 30.168 30.300 -0.769 0.000 0.986 205 R HN 0.492 nan 8.270 nan 0.000 0.448 206 Y N 5.554 125.825 120.300 -0.048 0.000 2.594 206 Y HA 0.179 4.780 4.550 0.084 0.000 0.344 206 Y C -0.168 175.712 175.900 -0.033 0.000 1.185 206 Y CA -0.497 57.538 58.100 -0.108 0.000 1.565 206 Y CB -0.238 38.122 38.460 -0.167 0.000 1.415 206 Y HN 0.333 nan 8.280 nan 0.000 0.488 207 V N 1.442 121.158 119.914 -0.330 0.000 3.164 207 V HA 0.493 4.662 4.120 0.082 0.000 0.313 207 V C -0.106 175.740 176.094 -0.412 0.000 1.188 207 V CA -1.548 60.518 62.300 -0.390 0.000 1.058 207 V CB 1.518 33.093 31.823 -0.414 0.000 1.110 207 V HN 0.467 nan 8.190 nan 0.000 0.453 208 E N 0.788 120.792 120.200 -0.325 0.000 2.585 208 E HA 0.292 4.691 4.350 0.082 0.000 0.252 208 E C 0.972 177.432 176.600 -0.234 0.000 0.981 208 E CA 1.102 57.362 56.400 -0.233 0.000 0.943 208 E CB -0.117 29.496 29.700 -0.146 0.000 0.923 208 E HN 1.875 nan 8.360 nan 0.000 0.486 209 G N 4.668 113.292 108.800 -0.294 0.000 2.272 209 G HA2 -0.331 3.679 3.960 0.082 0.000 0.280 209 G HA3 -0.331 3.679 3.960 0.082 0.000 0.280 209 G C 0.253 174.817 174.900 -0.559 0.000 1.067 209 G CA 0.624 45.400 45.100 -0.540 0.000 0.902 209 G HN 0.851 nan 8.290 nan 0.000 0.500 210 Y N -2.313 117.623 120.300 -0.606 0.000 2.365 210 Y HA -0.034 4.565 4.550 0.082 0.000 0.287 210 Y C 2.229 177.977 175.900 -0.253 0.000 1.162 210 Y CA 1.444 59.306 58.100 -0.397 0.000 1.260 210 Y CB -0.824 37.410 38.460 -0.376 0.000 0.976 210 Y HN 0.303 nan 8.280 nan 0.000 0.548 211 F N 0.855 120.429 119.950 -0.626 0.000 2.236 211 F HA -0.169 4.406 4.527 0.081 0.000 0.302 211 F C 1.626 177.378 175.800 -0.080 0.000 1.073 211 F CA 1.009 58.794 58.000 -0.359 0.000 1.336 211 F CB -0.472 38.199 39.000 -0.547 0.000 1.040 211 F HN 0.103 nan 8.300 nan 0.000 0.507 212 L N -0.356 120.916 121.223 0.082 0.000 2.685 212 L HA 0.113 4.502 4.340 0.082 0.000 0.233 212 L C 0.149 176.975 176.870 -0.073 0.000 1.173 212 L CA 0.135 55.020 54.840 0.075 0.000 0.961 212 L CB -0.368 41.759 42.059 0.114 0.000 1.217 212 L HN 0.240 nan 8.230 nan 0.000 0.478 213 H N 1.056 120.198 119.070 0.119 0.000 2.500 213 H HA 0.261 4.867 4.556 0.082 0.000 0.243 213 H C -2.313 173.096 175.328 0.135 0.000 1.318 213 H CA -1.552 54.566 56.048 0.118 0.000 1.077 213 H CB 0.538 30.283 29.762 -0.028 0.000 1.748 213 H HN 0.089 nan 8.280 nan 0.000 0.556 214 P HA -0.010 nan 4.420 nan 0.000 0.271 214 P C 1.192 178.666 177.300 0.289 0.000 1.218 214 P CA 0.086 63.357 63.100 0.285 0.000 0.780 214 P CB 1.438 33.344 31.700 0.344 0.000 0.901 215 T N -1.714 112.916 114.554 0.127 0.000 3.051 215 T HA 0.258 4.657 4.350 0.082 0.000 0.255 215 T C 1.325 175.758 174.700 -0.445 0.000 1.085 215 T CA 0.861 62.938 62.100 -0.038 0.000 1.109 215 T CB -0.559 68.286 68.868 -0.038 0.000 0.921 215 T HN 0.625 nan 8.240 nan 0.000 0.488 216 G N 0.677 109.141 108.800 -0.559 0.000 2.201 216 G HA2 -0.125 3.884 3.960 0.082 0.000 0.212 216 G HA3 -0.125 3.884 3.960 0.082 0.000 0.212 216 G C -0.297 174.533 174.900 -0.116 0.000 0.994 216 G CA -0.109 44.324 45.100 -1.111 0.000 0.644 216 G HN 0.680 nan 8.290 nan 0.000 0.508 217 L N 1.885 123.249 121.223 0.236 0.000 2.289 217 L HA 0.813 5.202 4.340 0.082 0.000 0.285 217 L C -0.074 177.049 176.870 0.422 0.000 1.049 217 L CA -0.622 54.484 54.840 0.443 0.000 0.804 217 L CB 1.039 43.375 42.059 0.462 0.000 1.195 217 L HN 0.271 nan 8.230 nan 0.000 0.428 218 E N 5.285 125.797 120.200 0.519 0.000 2.312 218 E HA 0.631 5.030 4.350 0.082 0.000 0.267 218 E C -1.506 175.485 176.600 0.652 0.000 0.894 218 E CA -0.792 55.907 56.400 0.498 0.000 0.773 218 E CB 2.532 32.409 29.700 0.295 0.000 1.241 218 E HN 0.473 nan 8.360 nan 0.000 0.432 219 L N 2.316 123.903 121.223 0.606 0.000 2.436 219 L HA 0.411 4.801 4.340 0.082 0.000 0.268 219 L C -1.291 175.585 176.870 0.009 0.000 0.974 219 L CA -1.011 54.035 54.840 0.344 0.000 0.826 219 L CB 1.731 43.892 42.059 0.170 0.000 1.291 219 L HN 0.303 nan 8.230 nan 0.000 0.406 220 L N 4.306 125.203 121.223 -0.543 0.000 2.264 220 L HA 0.606 4.995 4.340 0.082 0.000 0.289 220 L C -0.769 175.856 176.870 -0.408 0.000 1.044 220 L CA -0.115 54.174 54.840 -0.919 0.000 0.807 220 L CB 1.540 42.670 42.059 -1.547 0.000 1.192 220 L HN 0.294 nan 8.230 nan 0.000 0.425 221 V N 4.516 124.258 119.914 -0.287 0.000 2.487 221 V HA 0.339 4.508 4.120 0.082 0.000 0.298 221 V C -0.640 175.384 176.094 -0.118 0.000 1.028 221 V CA -0.777 61.425 62.300 -0.164 0.000 0.860 221 V CB 1.636 33.360 31.823 -0.165 0.000 0.991 221 V HN 0.684 nan 8.190 nan 0.000 0.427 222 D N 3.725 124.050 120.400 -0.125 0.000 2.339 222 D HA 0.209 4.898 4.640 0.082 0.000 0.241 222 D C 0.358 176.492 176.300 -0.277 0.000 1.183 222 D CA -0.162 53.737 54.000 -0.168 0.000 0.859 222 D CB 0.514 41.247 40.800 -0.112 0.000 1.067 222 D HN 0.849 nan 8.370 nan 0.000 0.484 223 H N 0.828 119.502 119.070 -0.661 0.000 2.528 223 H HA 0.474 5.078 4.556 0.079 0.000 0.256 223 H C 1.161 176.005 175.328 -0.806 0.000 1.204 223 H CA -0.783 54.359 56.048 -1.511 0.000 0.955 223 H CB 0.763 29.269 29.762 -2.093 0.000 1.817 223 H HN 0.304 nan 8.280 nan 0.000 0.579 224 G N 0.164 108.729 108.800 -0.391 0.000 2.426 224 G HA2 -0.163 3.846 3.960 0.082 0.000 0.214 224 G HA3 -0.163 3.846 3.960 0.082 0.000 0.214 224 G C 0.769 175.786 174.900 0.194 0.000 1.156 224 G CA 0.323 45.347 45.100 -0.127 0.000 0.802 224 G HN 0.476 nan 8.290 nan 0.000 0.534 225 S N 0.309 116.218 115.700 0.348 0.000 2.572 225 S HA 0.222 4.741 4.470 0.082 0.000 0.279 225 S C 1.955 176.888 174.600 0.556 0.000 1.341 225 S CA 0.608 59.071 58.200 0.438 0.000 1.043 225 S CB 0.994 64.504 63.200 0.516 0.000 0.887 225 S HN 0.417 nan 8.310 nan 0.000 0.516 226 T N 0.517 115.287 114.554 0.361 0.000 3.072 226 T HA 0.012 4.411 4.350 0.082 0.000 0.266 226 T C 0.349 175.127 174.700 0.131 0.000 1.127 226 T CA 0.528 62.806 62.100 0.298 0.000 1.107 226 T CB -0.242 68.713 68.868 0.145 0.000 0.910 226 T HN 0.558 nan 8.240 nan 0.000 0.513 227 D N 1.039 121.478 120.400 0.065 0.000 2.428 227 D HA 0.567 5.256 4.640 0.082 0.000 0.221 227 D C 1.132 177.186 176.300 -0.410 0.000 1.123 227 D CA -0.332 53.548 54.000 -0.199 0.000 0.869 227 D CB 1.130 41.713 40.800 -0.362 0.000 1.032 227 D HN 0.166 nan 8.370 nan 0.000 0.506 228 A N 3.219 125.616 122.820 -0.706 0.000 2.070 228 A HA -0.032 4.337 4.320 0.082 0.000 0.220 228 A C 2.054 179.179 177.584 -0.765 0.000 1.159 228 A CA 1.504 52.653 52.037 -1.480 0.000 0.656 228 A CB -0.546 17.644 19.000 -1.350 0.000 0.800 228 A HN 0.625 nan 8.150 nan 0.000 0.453 229 G N -0.894 107.627 108.800 -0.465 0.000 2.475 229 G HA2 -0.267 3.742 3.960 0.082 0.000 0.220 229 G HA3 -0.267 3.742 3.960 0.082 0.000 0.220 229 G C 1.247 176.064 174.900 -0.138 0.000 1.125 229 G CA 1.245 46.177 45.100 -0.280 0.000 0.755 229 G HN 0.831 nan 8.290 nan 0.000 0.565 230 H N -2.136 116.930 119.070 -0.005 0.000 2.548 230 H HA 0.085 4.692 4.556 0.085 0.000 0.268 230 H C 0.422 175.910 175.328 0.268 0.000 0.975 230 H CA -0.637 55.483 56.048 0.120 0.000 1.195 230 H CB 0.221 30.071 29.762 0.147 0.000 1.397 230 H HN 0.262 nan 8.280 nan 0.000 0.572 231 W N 1.541 122.914 121.300 0.121 0.000 2.181 231 W HA 0.438 5.150 4.660 0.086 0.000 0.335 231 W C 0.147 176.687 176.519 0.035 0.000 1.310 231 W CA -0.956 56.438 57.345 0.082 0.000 1.226 231 W CB -0.019 29.488 29.460 0.078 0.000 1.155 231 W HN -0.019 nan 8.180 nan 0.000 0.565 232 A N 2.089 125.035 122.820 0.210 0.000 2.486 232 A HA 0.646 5.015 4.320 0.082 0.000 0.300 232 A C -1.350 176.244 177.584 0.016 0.000 1.048 232 A CA -0.847 51.245 52.037 0.092 0.000 0.696 232 A CB 1.131 20.170 19.000 0.066 0.000 1.278 232 A HN 0.260 nan 8.150 nan 0.000 0.405 233 V N 2.623 122.533 119.914 -0.006 0.000 2.421 233 V HA 0.095 4.264 4.120 0.082 0.000 0.271 233 V C 1.217 177.291 176.094 -0.034 0.000 1.031 233 V CA 1.060 63.337 62.300 -0.039 0.000 1.032 233 V CB 0.109 31.920 31.823 -0.021 0.000 1.009 233 V HN 1.078 nan 8.190 nan 0.000 0.477 234 E N 3.251 123.405 120.200 -0.075 0.000 2.476 234 E HA 0.240 4.639 4.350 0.082 0.000 0.199 234 E C 0.493 177.076 176.600 -0.029 0.000 1.021 234 E CA -0.246 56.119 56.400 -0.057 0.000 0.907 234 E CB 0.726 30.373 29.700 -0.087 0.000 0.974 234 E HN 0.575 nan 8.360 nan 0.000 0.489 235 Q N 0.233 120.017 119.800 -0.026 0.000 2.479 235 Q HA 0.413 4.802 4.340 0.082 0.000 0.276 235 Q C -2.225 173.917 176.000 0.236 0.000 0.989 235 Q CA -0.684 55.191 55.803 0.121 0.000 0.864 235 Q CB 2.491 31.310 28.738 0.136 0.000 1.444 235 Q HN 0.065 nan 8.270 nan 0.000 0.388 236 V N 2.324 122.506 119.914 0.445 0.000 2.760 236 V HA 0.681 4.850 4.120 0.082 0.000 0.309 236 V C -1.514 174.966 176.094 0.644 0.000 1.077 236 V CA -0.668 61.927 62.300 0.492 0.000 0.910 236 V CB 1.992 33.997 31.823 0.303 0.000 1.008 236 V HN 0.841 nan 8.190 nan 0.000 0.424 237 W N 5.766 127.294 121.300 0.379 0.000 2.683 237 W HA 0.717 5.426 4.660 0.081 0.000 0.329 237 W C -1.902 174.720 176.519 0.171 0.000 1.037 237 W CA -0.712 56.681 57.345 0.081 0.000 1.232 237 W CB 1.558 30.854 29.460 -0.274 0.000 1.390 237 W HN 0.601 nan 8.180 nan 0.000 0.465 238 Y N 7.307 127.341 120.300 -0.444 0.000 2.354 238 Y HA 0.256 4.855 4.550 0.082 0.000 0.330 238 Y C 0.289 175.687 175.900 -0.837 0.000 1.011 238 Y CA -1.273 56.547 58.100 -0.467 0.000 1.099 238 Y CB 1.031 39.387 38.460 -0.173 0.000 1.179 238 Y HN 0.623 nan 8.280 nan 0.000 0.442 239 N N 4.257 121.912 118.700 -1.741 0.000 2.705 239 N HA -0.196 4.593 4.740 0.082 0.000 0.255 239 N C 0.719 175.713 175.510 -0.859 0.000 1.008 239 N CA 2.087 54.453 53.050 -1.140 0.000 0.742 239 N CB -1.097 36.766 38.487 -1.040 0.000 0.906 239 N HN 1.598 nan 8.380 nan 0.000 0.541 240 G N -1.577 106.391 108.800 -1.387 0.000 2.176 240 G HA2 -0.280 3.729 3.960 0.082 0.000 0.253 240 G HA3 -0.280 3.729 3.960 0.082 0.000 0.253 240 G C -0.276 174.303 174.900 -0.536 0.000 0.979 240 G CA 0.689 45.475 45.100 -0.523 0.000 0.641 240 G HN 0.544 nan 8.290 nan 0.000 0.530 241 K N -0.300 119.583 120.400 -0.862 0.000 2.375 241 K HA 0.683 5.052 4.320 0.082 0.000 0.249 241 K C -0.663 175.507 176.600 -0.716 0.000 0.942 241 K CA -0.886 55.049 56.287 -0.588 0.000 0.806 241 K CB 1.514 33.716 32.500 -0.496 0.000 1.227 241 K HN 0.038 nan 8.250 nan 0.000 0.430 242 F N 0.838 120.631 119.950 -0.260 0.000 2.384 242 F HA 0.239 4.815 4.527 0.081 0.000 0.338 242 F C 1.032 176.624 175.800 -0.346 0.000 1.103 242 F CA -0.090 57.870 58.000 -0.068 0.000 1.157 242 F CB 0.591 39.654 39.000 0.105 0.000 1.167 242 F HN 0.515 nan 8.300 nan 0.000 0.529 243 Y N -0.059 120.398 120.300 0.263 0.000 2.563 243 Y HA 0.289 4.888 4.550 0.082 0.000 0.250 243 Y C 1.584 177.554 175.900 0.117 0.000 1.126 243 Y CA 0.221 58.400 58.100 0.131 0.000 1.231 243 Y CB 0.826 39.308 38.460 0.036 0.000 1.288 243 Y HN 0.800 nan 8.280 nan 0.000 0.537 244 G N 0.836 109.803 108.800 0.278 0.000 2.708 244 G HA2 -0.324 3.685 3.960 0.082 0.000 0.229 244 G HA3 -0.324 3.685 3.960 0.082 0.000 0.229 244 G C 0.393 175.370 174.900 0.127 0.000 1.236 244 G CA 0.527 45.729 45.100 0.169 0.000 0.749 244 G HN 0.737 nan 8.290 nan 0.000 0.515 245 S N -0.567 115.204 115.700 0.117 0.000 2.570 245 S HA 0.733 5.253 4.470 0.082 0.000 0.270 245 S C -2.099 172.511 174.600 0.017 0.000 1.149 245 S CA -0.287 57.948 58.200 0.059 0.000 0.837 245 S CB 2.341 65.559 63.200 0.030 0.000 1.124 245 S HN 0.028 nan 8.310 nan 0.000 0.465 246 P HA 0.001 nan 4.420 nan 0.000 0.216 246 P C 1.845 179.064 177.300 -0.136 0.000 1.150 246 P CA 2.486 65.526 63.100 -0.099 0.000 0.837 246 P CB -0.268 31.389 31.700 -0.071 0.000 0.786 247 E N 0.676 120.830 120.200 -0.077 0.000 2.058 247 E HA -0.292 4.108 4.350 0.082 0.000 0.194 247 E C 2.044 178.603 176.600 -0.068 0.000 0.997 247 E CA 1.797 58.157 56.400 -0.067 0.000 0.801 247 E CB -1.582 28.098 29.700 -0.033 0.000 0.746 247 E HN 0.458 nan 8.360 nan 0.000 0.450 248 E N -0.595 119.584 120.200 -0.035 0.000 2.051 248 E HA -0.145 4.255 4.350 0.082 0.000 0.192 248 E C 2.229 178.789 176.600 -0.068 0.000 0.991 248 E CA 1.268 57.668 56.400 0.000 0.000 0.799 248 E CB -0.161 29.588 29.700 0.081 0.000 0.748 248 E HN 0.398 nan 8.360 nan 0.000 0.449 249 L N 1.020 122.124 121.223 -0.199 0.000 2.042 249 L HA -0.125 4.264 4.340 0.082 0.000 0.210 249 L C 2.237 178.811 176.870 -0.493 0.000 1.076 249 L CA 2.235 56.735 54.840 -0.566 0.000 0.749 249 L CB -0.858 40.720 42.059 -0.802 0.000 0.893 249 L HN 0.175 nan 8.230 nan 0.000 0.432 250 A N -0.254 122.351 122.820 -0.357 0.000 1.883 250 A HA -0.220 4.149 4.320 0.082 0.000 0.217 250 A C 2.661 180.200 177.584 -0.075 0.000 1.186 250 A CA 2.769 54.673 52.037 -0.222 0.000 0.624 250 A CB -0.981 17.919 19.000 -0.167 0.000 0.822 250 A HN 0.484 nan 8.150 nan 0.000 0.444 251 R N 0.099 120.556 120.500 -0.071 0.000 2.073 251 R HA -0.080 4.309 4.340 0.082 0.000 0.234 251 R C 2.208 178.494 176.300 -0.025 0.000 1.134 251 R CA 1.965 58.045 56.100 -0.033 0.000 0.952 251 R CB -1.111 29.177 30.300 -0.020 0.000 0.850 251 R HN 0.697 nan 8.270 nan 0.000 0.433 252 K N -1.092 119.292 120.400 -0.027 0.000 2.097 252 K HA -0.124 4.245 4.320 0.082 0.000 0.206 252 K C 2.118 178.722 176.600 0.007 0.000 1.049 252 K CA 1.481 57.773 56.287 0.007 0.000 0.933 252 K CB -0.337 32.204 32.500 0.070 0.000 0.717 252 K HN 0.531 nan 8.250 nan 0.000 0.442 253 Y N 1.704 121.907 120.300 -0.163 0.000 2.097 253 Y HA -0.279 4.320 4.550 0.082 0.000 0.282 253 Y C 2.229 178.108 175.900 -0.035 0.000 1.152 253 Y CA 1.465 59.503 58.100 -0.102 0.000 1.136 253 Y CB -0.700 37.674 38.460 -0.143 0.000 0.975 253 Y HN 0.040 nan 8.280 nan 0.000 0.498 254 A N 0.030 122.745 122.820 -0.175 0.000 1.948 254 A HA -0.218 4.151 4.320 0.082 0.000 0.220 254 A C 1.673 179.152 177.584 -0.175 0.000 1.177 254 A CA 2.135 54.041 52.037 -0.218 0.000 0.636 254 A CB -0.836 18.119 19.000 -0.075 0.000 0.815 254 A HN 0.576 nan 8.150 nan 0.000 0.449 255 D N -1.214 119.125 120.400 -0.103 0.000 2.336 255 D HA 0.289 4.978 4.640 0.082 0.000 0.229 255 D C 1.252 177.516 176.300 -0.060 0.000 1.061 255 D CA 1.002 54.964 54.000 -0.064 0.000 0.875 255 D CB -0.207 40.578 40.800 -0.026 0.000 0.904 255 D HN 0.621 nan 8.370 nan 0.000 0.525 256 G N 1.393 110.134 108.800 -0.098 0.000 2.176 256 G HA2 -0.315 3.694 3.960 0.082 0.000 0.252 256 G HA3 -0.315 3.694 3.960 0.082 0.000 0.252 256 G C 0.415 175.318 174.900 0.005 0.000 1.024 256 G CA -0.120 44.942 45.100 -0.062 0.000 0.755 256 G HN 0.421 nan 8.290 nan 0.000 0.507 257 E N -0.748 119.471 120.200 0.031 0.000 2.585 257 E HA 0.379 4.778 4.350 0.082 0.000 0.206 257 E C -0.065 176.620 176.600 0.143 0.000 1.007 257 E CA -0.139 56.308 56.400 0.079 0.000 1.028 257 E CB 1.233 30.979 29.700 0.077 0.000 1.087 257 E HN 0.286 nan 8.360 nan 0.000 0.455 258 V N 1.152 121.161 119.914 0.159 0.000 2.638 258 V HA 0.129 4.299 4.120 0.082 0.000 0.306 258 V C -0.585 175.658 176.094 0.248 0.000 1.052 258 V CA -1.044 61.395 62.300 0.232 0.000 0.885 258 V CB 2.139 34.079 31.823 0.194 0.000 0.999 258 V HN 0.050 nan 8.190 nan 0.000 0.424 259 D N 3.835 124.386 120.400 0.251 0.000 2.422 259 D HA 0.326 5.015 4.640 0.082 0.000 0.227 259 D C -0.095 176.387 176.300 0.303 0.000 1.190 259 D CA 0.012 54.140 54.000 0.213 0.000 0.905 259 D CB 0.993 41.876 40.800 0.139 0.000 1.034 259 D HN 0.487 nan 8.370 nan 0.000 0.507 260 V N 1.636 121.741 119.914 0.318 0.000 2.617 260 V HA 0.616 4.785 4.120 0.082 0.000 0.298 260 V C -0.099 176.153 176.094 0.263 0.000 1.048 260 V CA -0.764 61.765 62.300 0.382 0.000 0.964 260 V CB 1.780 33.778 31.823 0.291 0.000 1.004 260 V HN 0.153 nan 8.190 nan 0.000 0.466 261 V N 4.958 125.036 119.914 0.273 0.000 2.334 261 V HA 0.323 4.492 4.120 0.082 0.000 0.281 261 V C 0.146 176.311 176.094 0.118 0.000 1.016 261 V CA -0.505 61.929 62.300 0.225 0.000 0.832 261 V CB 1.401 33.438 31.823 0.358 0.000 0.999 261 V HN 0.798 nan 8.190 nan 0.000 0.439 262 V N 7.128 127.099 119.914 0.095 0.000 2.427 262 V HA 0.241 4.410 4.120 0.082 0.000 0.268 262 V C 0.598 176.721 176.094 0.047 0.000 1.046 262 V CA -0.092 62.230 62.300 0.036 0.000 0.970 262 V CB 0.709 32.565 31.823 0.055 0.000 1.001 262 V HN 0.620 nan 8.190 nan 0.000 0.476 279 P HA 0.575 nan 4.420 nan 0.000 0.270 279 P C -2.378 174.935 177.300 0.021 0.000 1.223 279 P CA -0.850 62.261 63.100 0.018 0.000 0.785 279 P CB -0.130 31.588 31.700 0.029 0.000 0.923 280 P HA 0.136 nan 4.420 nan 0.000 0.272 280 P C -0.232 177.085 177.300 0.028 0.000 1.230 280 P CA -0.585 62.522 63.100 0.011 0.000 0.788 280 P CB 0.213 31.916 31.700 0.004 0.000 0.949 281 L N 2.343 123.565 121.223 -0.003 0.000 2.485 281 L HA 0.036 4.425 4.340 0.082 0.000 0.275 281 L C 1.330 178.178 176.870 -0.037 0.000 1.207 281 L CA 0.235 55.057 54.840 -0.031 0.000 0.855 281 L CB -0.528 41.459 42.059 -0.120 0.000 1.114 281 L HN 0.435 nan 8.230 nan 0.000 0.485 282 F N 0.436 120.384 119.950 -0.003 0.000 2.250 282 F HA -0.125 4.451 4.527 0.082 0.000 0.301 282 F C 1.902 177.686 175.800 -0.028 0.000 1.077 282 F CA 1.043 59.016 58.000 -0.046 0.000 1.348 282 F CB -1.182 37.715 39.000 -0.172 0.000 1.040 282 F HN 0.535 nan 8.300 nan 0.000 0.509 283 S N -1.113 114.210 115.700 -0.628 0.000 2.593 283 S HA 0.118 4.638 4.470 0.082 0.000 0.217 283 S C 0.850 175.464 174.600 0.023 0.000 0.966 283 S CA -0.039 58.001 58.200 -0.266 0.000 0.914 283 S CB -0.680 62.311 63.200 -0.347 0.000 0.776 283 S HN 0.385 nan 8.310 nan 0.000 0.523 284 S N 0.262 115.945 115.700 -0.029 0.000 2.616 284 S HA 0.381 4.900 4.470 0.082 0.000 0.277 284 S C 0.461 175.072 174.600 0.019 0.000 1.234 284 S CA -0.476 57.753 58.200 0.049 0.000 1.028 284 S CB 0.535 63.741 63.200 0.010 0.000 0.988 284 S HN 0.448 nan 8.310 nan 0.000 0.522 285 H N 1.718 120.780 119.070 -0.015 0.000 2.551 285 H HA 0.250 4.855 4.556 0.082 0.000 0.266 285 H C 0.319 175.618 175.328 -0.049 0.000 0.977 285 H CA 0.468 56.489 56.048 -0.046 0.000 1.163 285 H CB 0.100 29.826 29.762 -0.059 0.000 1.381 285 H HN 0.449 nan 8.280 nan 0.000 0.581 286 K N 2.004 122.441 120.400 0.062 0.000 2.489 286 K HA 0.024 4.393 4.320 0.082 0.000 0.278 286 K C -2.400 174.190 176.600 -0.017 0.000 1.000 286 K CA -1.348 54.946 56.287 0.012 0.000 1.012 286 K CB 0.154 32.655 32.500 0.000 0.000 0.903 286 K HN 0.066 nan 8.250 nan 0.000 0.485 287 P HA 0.004 nan 4.420 nan 0.000 0.268 287 P C -0.768 176.491 177.300 -0.068 0.000 1.205 287 P CA 0.161 63.221 63.100 -0.067 0.000 0.771 287 P CB 0.653 32.307 31.700 -0.077 0.000 0.858 288 R N 1.269 121.714 120.500 -0.091 0.000 2.752 288 R HA 0.761 5.150 4.340 0.082 0.000 0.271 288 R C -0.278 175.946 176.300 -0.127 0.000 1.026 288 R CA -0.367 55.683 56.100 -0.083 0.000 0.901 288 R CB 0.458 30.733 30.300 -0.043 0.000 1.243 288 R HN 0.692 nan 8.270 nan 0.000 0.463 289 G N 0.541 109.277 108.800 -0.107 0.000 2.795 289 G HA2 -0.094 3.915 3.960 0.082 0.000 0.664 289 G HA3 -0.094 3.915 3.960 0.082 0.000 0.664 289 G C -1.688 173.102 174.900 -0.183 0.000 1.381 289 G CA -0.155 44.868 45.100 -0.127 0.000 0.853 289 G HN 0.731 nan 8.290 nan 0.000 0.545 290 D N -0.349 119.952 120.400 -0.165 0.000 2.896 290 D HA 0.512 5.201 4.640 0.082 0.000 0.241 290 D C -0.150 176.093 176.300 -0.095 0.000 1.188 290 D CA -0.382 53.526 54.000 -0.152 0.000 0.879 290 D CB 1.244 42.014 40.800 -0.049 0.000 1.553 290 D HN 0.170 nan 8.370 nan 0.000 0.515 291 F N 1.566 121.495 119.950 -0.036 0.000 2.496 291 F HA 0.171 4.747 4.527 0.082 0.000 0.344 291 F C -0.808 174.972 175.800 -0.033 0.000 1.155 291 F CA -1.711 56.265 58.000 -0.040 0.000 1.302 291 F CB -0.144 38.820 39.000 -0.059 0.000 1.159 291 F HN 0.220 nan 8.300 nan 0.000 0.595 292 P HA -0.077 nan 4.420 nan 0.000 0.218 292 P C -0.318 177.022 177.300 0.067 0.000 1.149 292 P CA 1.238 64.391 63.100 0.088 0.000 0.817 292 P CB 0.228 31.958 31.700 0.050 0.000 0.785 293 S N 0.271 116.007 115.700 0.061 0.000 2.328 293 S HA 0.359 4.878 4.470 0.082 0.000 0.204 293 S C -2.468 172.149 174.600 0.028 0.000 1.475 293 S CA -1.105 57.108 58.200 0.022 0.000 1.148 293 S CB 0.246 63.430 63.200 -0.027 0.000 1.077 293 S HN 0.033 nan 8.310 nan 0.000 0.479 294 P HA 0.178 nan 4.420 nan 0.000 0.266 294 P C -0.665 176.444 177.300 -0.318 0.000 1.193 294 P CA -0.046 63.006 63.100 -0.081 0.000 0.770 294 P CB 0.423 32.044 31.700 -0.130 0.000 0.836 295 I N 3.107 123.507 120.570 -0.284 0.000 2.362 295 I HA 0.203 4.422 4.170 0.082 0.000 0.289 295 I C 1.132 177.047 176.117 -0.338 0.000 0.994 295 I CA -0.488 60.652 61.300 -0.267 0.000 1.158 295 I CB 1.293 39.255 38.000 -0.063 0.000 1.315 295 I HN 0.481 nan 8.210 nan 0.000 0.451 296 H N 5.142 124.230 119.070 0.029 0.000 2.827 296 H HA 0.220 4.825 4.556 0.082 0.000 0.269 296 H C 0.215 175.545 175.328 0.004 0.000 1.031 296 H CA 0.290 56.347 56.048 0.013 0.000 1.202 296 H CB 0.814 30.581 29.762 0.008 0.000 1.511 296 H HN 0.423 nan 8.280 nan 0.000 0.517 297 V N -0.783 119.182 119.914 0.085 0.000 3.019 297 V HA 0.606 4.775 4.120 0.082 0.000 0.317 297 V C 0.298 176.402 176.094 0.017 0.000 1.094 297 V CA -1.042 61.287 62.300 0.049 0.000 1.000 297 V CB 2.140 33.990 31.823 0.044 0.000 1.060 297 V HN 0.048 nan 8.190 nan 0.000 0.443 298 S N 1.292 116.996 115.700 0.007 0.000 2.576 298 S HA 0.591 5.110 4.470 0.082 0.000 0.276 298 S C 0.560 175.155 174.600 -0.007 0.000 1.339 298 S CA 0.157 58.353 58.200 -0.006 0.000 1.039 298 S CB 1.016 64.210 63.200 -0.011 0.000 0.902 298 S HN 1.432 nan 8.310 nan 0.000 0.516 299 G N 1.236 110.028 108.800 -0.013 0.000 2.588 299 G HA2 0.534 4.543 3.960 0.082 0.000 0.281 299 G HA3 0.534 4.543 3.960 0.082 0.000 0.281 299 G C -2.617 172.276 174.900 -0.011 0.000 1.236 299 G CA -1.362 43.730 45.100 -0.014 0.000 0.969 299 G HN 0.483 nan 8.290 nan 0.000 0.504 300 P HA 0.300 nan 4.420 nan 0.000 0.269 300 P C -0.329 176.968 177.300 -0.005 0.000 1.215 300 P CA -0.090 63.006 63.100 -0.005 0.000 0.780 300 P CB 0.564 32.261 31.700 -0.004 0.000 0.898 301 R N 0.568 121.068 120.500 -0.000 0.000 2.808 301 R HA 0.638 5.027 4.340 0.082 0.000 0.272 301 R C -1.306 174.998 176.300 0.007 0.000 0.995 301 R CA -1.129 54.971 56.100 0.000 0.000 0.917 301 R CB 0.390 30.691 30.300 0.002 0.000 1.217 301 R HN 0.061 nan 8.270 nan 0.000 0.471 302 L N 2.088 123.315 121.223 0.007 0.000 2.416 302 L HA 0.294 4.683 4.340 0.082 0.000 0.272 302 L C -0.128 176.753 176.870 0.019 0.000 1.161 302 L CA 0.038 54.890 54.840 0.019 0.000 0.845 302 L CB 1.546 43.617 42.059 0.020 0.000 1.119 302 L HN 0.582 nan 8.230 nan 0.000 0.464 303 V N 1.536 121.462 119.914 0.019 0.000 2.715 303 V HA 0.611 4.780 4.120 0.082 0.000 0.310 303 V C -0.403 175.695 176.094 0.006 0.000 1.054 303 V CA -0.718 61.586 62.300 0.007 0.000 0.928 303 V CB 1.685 33.503 31.823 -0.009 0.000 1.007 303 V HN 0.813 nan 8.190 nan 0.000 0.437 304 Q N 3.491 123.286 119.800 -0.008 0.000 2.928 304 Q HA 0.392 4.782 4.340 0.082 0.000 0.353 304 Q C -1.887 174.067 176.000 -0.076 0.000 0.870 304 Q CA -1.566 54.231 55.803 -0.009 0.000 0.963 304 Q CB 1.594 30.353 28.738 0.034 0.000 1.419 304 Q HN 0.785 nan 8.270 nan 0.000 0.396 305 P HA -0.158 nan 4.420 nan 0.000 0.219 305 P C 0.252 177.361 177.300 -0.319 0.000 1.146 305 P CA 1.176 64.094 63.100 -0.304 0.000 0.808 305 P CB 0.213 31.634 31.700 -0.466 0.000 0.779 306 H N -0.783 118.300 119.070 0.022 0.000 2.517 306 H HA 0.382 4.987 4.556 0.082 0.000 0.282 306 H C 1.410 176.736 175.328 -0.002 0.000 1.023 306 H CA 0.579 56.636 56.048 0.015 0.000 1.169 306 H CB -0.278 29.498 29.762 0.023 0.000 1.454 306 H HN 0.155 nan 8.280 nan 0.000 0.556 307 G N 1.828 110.654 108.800 0.044 0.000 2.829 307 G HA2 -0.217 3.793 3.960 0.082 0.000 0.628 307 G HA3 -0.217 3.793 3.960 0.082 0.000 0.628 307 G C -2.673 172.199 174.900 -0.047 0.000 1.412 307 G CA -1.159 43.936 45.100 -0.007 0.000 0.864 307 G HN 0.117 nan 8.290 nan 0.000 0.544 308 P HA 0.252 nan 4.420 nan 0.000 0.267 308 P C 0.704 177.816 177.300 -0.314 0.000 1.200 308 P CA 0.022 62.862 63.100 -0.432 0.000 0.772 308 P CB 0.391 31.504 31.700 -0.978 0.000 0.855 309 R N 1.577 121.983 120.500 -0.158 0.000 2.362 309 R HA 0.185 4.574 4.340 0.082 0.000 0.227 309 R C 0.432 176.854 176.300 0.204 0.000 0.905 309 R CA 0.136 56.282 56.100 0.077 0.000 1.067 309 R CB -0.165 30.279 30.300 0.240 0.000 1.078 309 R HN 0.506 nan 8.270 nan 0.000 0.516 310 F N -0.482 119.577 119.950 0.181 0.000 2.440 310 F HA 0.703 5.279 4.527 0.082 0.000 0.328 310 F C 0.295 176.129 175.800 0.057 0.000 1.070 310 F CA -1.470 56.621 58.000 0.152 0.000 1.011 310 F CB 0.473 39.484 39.000 0.018 0.000 1.226 310 F HN -0.312 nan 8.300 nan 0.000 0.491 311 R N 2.069 122.675 120.500 0.177 0.000 2.387 311 R HA 0.755 5.145 4.340 0.082 0.000 0.314 311 R C -2.008 174.371 176.300 0.131 0.000 0.958 311 R CA -0.844 55.298 56.100 0.070 0.000 0.846 311 R CB 1.039 31.357 30.300 0.030 0.000 1.147 311 R HN 0.921 nan 8.270 nan 0.000 0.447 312 L N 1.402 122.705 121.223 0.133 0.000 2.319 312 L HA 0.747 5.136 4.340 0.082 0.000 0.281 312 L C 0.097 177.016 176.870 0.081 0.000 1.005 312 L CA -0.341 54.585 54.840 0.144 0.000 0.828 312 L CB 1.902 44.103 42.059 0.236 0.000 1.227 312 L HN 0.902 nan 8.230 nan 0.000 0.415 313 E N 3.691 123.918 120.200 0.045 0.000 2.235 313 E HA 0.633 5.032 4.350 0.082 0.000 0.252 313 E C 0.541 177.147 176.600 0.009 0.000 0.886 313 E CA -0.195 56.220 56.400 0.026 0.000 0.767 313 E CB 0.670 30.374 29.700 0.006 0.000 1.205 313 E HN 1.531 nan 8.360 nan 0.000 0.421 314 G N 2.486 111.300 108.800 0.024 0.000 2.574 314 G HA2 -0.373 3.636 3.960 0.082 0.000 0.301 314 G HA3 -0.373 3.636 3.960 0.082 0.000 0.301 314 G C 0.891 175.749 174.900 -0.070 0.000 1.166 314 G CA 0.786 45.882 45.100 -0.007 0.000 0.971 314 G HN 1.538 nan 8.290 nan 0.000 0.542 315 N N 1.963 120.522 118.700 -0.236 0.000 2.238 315 N HA 0.549 5.338 4.740 0.082 0.000 0.222 315 N C 0.279 175.482 175.510 -0.512 0.000 1.133 315 N CA 1.058 53.682 53.050 -0.709 0.000 0.854 315 N CB 0.455 38.475 38.487 -0.779 0.000 1.041 315 N HN 1.349 nan 8.380 nan 0.000 0.510 316 A N 0.365 123.073 122.820 -0.187 0.000 2.304 316 A HA 0.659 5.028 4.320 0.082 0.000 0.323 316 A C -0.662 176.828 177.584 -0.157 0.000 1.195 316 A CA -0.572 51.376 52.037 -0.147 0.000 0.826 316 A CB 1.385 20.332 19.000 -0.088 0.000 1.184 316 A HN 0.050 nan 8.150 nan 0.000 0.496 317 V N 3.646 123.320 119.914 -0.400 0.000 2.540 317 V HA 0.487 4.656 4.120 0.082 0.000 0.302 317 V C -0.383 175.462 176.094 -0.415 0.000 1.035 317 V CA -0.334 61.662 62.300 -0.506 0.000 0.873 317 V CB 1.406 32.586 31.823 -1.072 0.000 0.992 317 V HN 0.781 nan 8.190 nan 0.000 0.428 318 L N 4.845 125.993 121.223 -0.125 0.000 2.346 318 L HA 0.659 5.048 4.340 0.082 0.000 0.276 318 L C -1.291 175.695 176.870 0.193 0.000 1.006 318 L CA -0.751 54.092 54.840 0.005 0.000 0.817 318 L CB 1.813 43.876 42.059 0.007 0.000 1.272 318 L HN 0.720 nan 8.230 nan 0.000 0.421 319 Y N 2.484 122.839 120.300 0.092 0.000 2.264 319 Y HA 0.498 5.097 4.550 0.082 0.000 0.321 319 Y C 0.412 176.434 175.900 0.203 0.000 1.199 319 Y CA -0.030 58.179 58.100 0.180 0.000 1.175 319 Y CB 1.112 39.696 38.460 0.207 0.000 1.213 319 Y HN 0.782 nan 8.280 nan 0.000 0.414 320 G N 3.694 112.340 108.800 -0.257 0.000 2.665 320 G HA2 -0.413 3.597 3.960 0.082 0.000 0.326 320 G HA3 -0.413 3.597 3.960 0.082 0.000 0.326 320 G C 1.220 175.916 174.900 -0.339 0.000 1.231 320 G CA 0.634 45.543 45.100 -0.318 0.000 0.992 320 G HN 1.693 nan 8.290 nan 0.000 0.549 321 G N -0.557 107.852 108.800 -0.651 0.000 2.650 321 G HA2 0.266 4.275 3.960 0.082 0.000 0.214 321 G HA3 0.266 4.275 3.960 0.082 0.000 0.214 321 G C 0.554 174.844 174.900 -1.018 0.000 1.136 321 G CA 0.500 44.851 45.100 -1.249 0.000 0.789 321 G HN 0.471 nan 8.290 nan 0.000 0.536 322 W N 0.381 121.457 121.300 -0.372 0.000 2.315 322 W HA 0.608 5.318 4.660 0.082 0.000 0.316 322 W C 0.370 176.896 176.519 0.011 0.000 1.211 322 W CA -0.517 56.825 57.345 -0.005 0.000 1.201 322 W CB 1.394 30.997 29.460 0.239 0.000 1.184 322 W HN -0.069 nan 8.180 nan 0.000 0.544 323 S N 4.479 120.405 115.700 0.376 0.000 2.571 323 S HA 0.802 5.321 4.470 0.082 0.000 0.284 323 S C -1.176 173.621 174.600 0.329 0.000 1.128 323 S CA -0.683 57.627 58.200 0.183 0.000 0.970 323 S CB 0.152 63.378 63.200 0.043 0.000 1.039 323 S HN 0.395 nan 8.310 nan 0.000 0.485 324 F N 1.606 121.576 119.950 0.033 0.000 2.713 324 F HA 0.903 5.478 4.527 0.081 0.000 0.311 324 F C -0.747 175.046 175.800 -0.012 0.000 1.141 324 F CA -1.117 56.882 58.000 -0.002 0.000 0.939 324 F CB 0.703 39.661 39.000 -0.069 0.000 1.325 324 F HN 0.676 nan 8.300 nan 0.000 0.453 325 A N 1.362 124.269 122.820 0.146 0.000 2.322 325 A HA 0.955 5.324 4.320 0.082 0.000 0.327 325 A C -1.471 176.233 177.584 0.200 0.000 1.134 325 A CA -0.659 51.401 52.037 0.038 0.000 0.831 325 A CB 1.122 20.129 19.000 0.010 0.000 1.288 325 A HN 1.319 nan 8.150 nan 0.000 0.472 326 F N -0.916 119.074 119.950 0.068 0.000 2.626 326 F HA 0.880 5.455 4.527 0.081 0.000 0.311 326 F C -0.467 175.367 175.800 0.057 0.000 1.088 326 F CA -1.024 57.011 58.000 0.059 0.000 0.949 326 F CB 1.510 40.594 39.000 0.139 0.000 1.322 326 F HN 0.867 nan 8.300 nan 0.000 0.461 327 R N 1.727 122.369 120.500 0.236 0.000 2.739 327 R HA 0.816 5.205 4.340 0.082 0.000 0.271 327 R C -2.453 173.978 176.300 0.217 0.000 1.010 327 R CA -1.163 55.044 56.100 0.177 0.000 0.897 327 R CB 2.034 32.393 30.300 0.098 0.000 1.236 327 R HN 0.831 nan 8.270 nan 0.000 0.466 328 L N 1.863 123.197 121.223 0.184 0.000 2.337 328 L HA 0.463 4.852 4.340 0.082 0.000 0.269 328 L C -0.523 176.424 176.870 0.129 0.000 1.018 328 L CA -0.563 54.367 54.840 0.149 0.000 0.876 328 L CB 1.087 43.243 42.059 0.163 0.000 1.236 328 L HN 0.704 nan 8.230 nan 0.000 0.436 329 R N 2.230 122.777 120.500 0.079 0.000 2.296 329 R HA 0.191 4.580 4.340 0.082 0.000 0.323 329 R C 1.021 177.344 176.300 0.038 0.000 1.067 329 R CA 0.277 56.419 56.100 0.071 0.000 0.946 329 R CB 0.846 31.172 30.300 0.043 0.000 0.991 329 R HN 0.819 nan 8.270 nan 0.000 0.448 330 S N 1.543 117.293 115.700 0.083 0.000 2.387 330 S HA -0.216 4.304 4.470 0.082 0.000 0.230 330 S C 1.786 176.320 174.600 -0.109 0.000 1.035 330 S CA 1.838 60.015 58.200 -0.037 0.000 1.014 330 S CB -0.061 63.204 63.200 0.108 0.000 0.836 330 S HN 0.847 nan 8.310 nan 0.000 0.466 331 S N 1.820 117.525 115.700 0.008 0.000 2.345 331 S HA -0.050 4.469 4.470 0.082 0.000 0.219 331 S C 1.951 176.519 174.600 -0.052 0.000 1.031 331 S CA 1.217 59.431 58.200 0.024 0.000 0.984 331 S CB -0.511 62.741 63.200 0.087 0.000 0.874 331 S HN 0.615 nan 8.310 nan 0.000 0.451 332 S N 0.200 115.858 115.700 -0.069 0.000 2.520 332 S HA 0.596 5.115 4.470 0.082 0.000 0.219 332 S C 1.102 175.557 174.600 -0.241 0.000 1.028 332 S CA 0.302 58.423 58.200 -0.131 0.000 0.921 332 S CB 0.057 63.204 63.200 -0.089 0.000 0.844 332 S HN 1.446 nan 8.310 nan 0.000 0.495 333 G N 1.317 109.994 108.800 -0.205 0.000 2.428 333 G HA2 0.011 4.020 3.960 0.082 0.000 0.202 333 G HA3 0.011 4.020 3.960 0.082 0.000 0.202 333 G C -0.962 173.839 174.900 -0.165 0.000 1.247 333 G CA -0.498 44.437 45.100 -0.275 0.000 1.020 333 G HN 0.669 nan 8.290 nan 0.000 0.529 334 L N 1.321 122.435 121.223 -0.182 0.000 2.456 334 L HA 0.560 4.949 4.340 0.082 0.000 0.272 334 L C 0.653 177.604 176.870 0.135 0.000 1.189 334 L CA 0.735 55.609 54.840 0.056 0.000 0.846 334 L CB 0.560 42.720 42.059 0.168 0.000 1.111 334 L HN 0.661 nan 8.230 nan 0.000 0.475 335 Q N 3.772 123.634 119.800 0.105 0.000 2.389 335 Q HA 0.660 5.049 4.340 0.082 0.000 0.277 335 Q C -1.351 174.565 176.000 -0.140 0.000 1.082 335 Q CA -0.993 54.781 55.803 -0.047 0.000 0.810 335 Q CB 2.641 31.350 28.738 -0.048 0.000 1.374 335 Q HN 0.552 nan 8.270 nan 0.000 0.422 336 V N -0.283 119.377 119.914 -0.424 0.000 2.628 336 V HA 0.808 4.978 4.120 0.082 0.000 0.306 336 V C -0.979 174.906 176.094 -0.348 0.000 1.045 336 V CA -0.679 61.420 62.300 -0.334 0.000 0.905 336 V CB 1.262 32.746 31.823 -0.565 0.000 0.997 336 V HN 0.660 nan 8.190 nan 0.000 0.436 337 L N 2.794 123.811 121.223 -0.343 0.000 2.393 337 L HA 0.649 5.038 4.340 0.082 0.000 0.260 337 L C 0.390 176.944 176.870 -0.528 0.000 1.002 337 L CA -0.717 53.728 54.840 -0.660 0.000 0.818 337 L CB 1.821 43.115 42.059 -1.274 0.000 1.369 337 L HN 0.877 nan 8.230 nan 0.000 0.412 338 N N 0.472 118.865 118.700 -0.512 0.000 2.740 338 N HA -0.160 4.629 4.740 0.082 0.000 0.248 338 N C -0.880 174.745 175.510 0.192 0.000 1.062 338 N CA 0.386 53.381 53.050 -0.092 0.000 0.704 338 N CB -0.607 37.891 38.487 0.017 0.000 0.968 338 N HN 0.334 nan 8.380 nan 0.000 0.547 339 V N 1.616 121.589 119.914 0.099 0.000 2.479 339 V HA 0.151 4.320 4.120 0.082 0.000 0.281 339 V C 0.647 176.891 176.094 0.251 0.000 1.031 339 V CA 0.167 62.620 62.300 0.254 0.000 1.038 339 V CB 0.622 32.544 31.823 0.166 0.000 0.981 339 V HN 0.339 nan 8.190 nan 0.000 0.478 340 H N 3.709 122.955 119.070 0.294 0.000 2.622 340 H HA 0.639 5.244 4.556 0.082 0.000 0.363 340 H C -1.061 174.431 175.328 0.274 0.000 1.151 340 H CA -0.561 55.626 56.048 0.232 0.000 1.184 340 H CB 1.847 31.704 29.762 0.158 0.000 1.643 340 H HN 0.593 nan 8.280 nan 0.000 0.531 341 F N 0.876 120.896 119.950 0.117 0.000 2.539 341 F HA 0.448 5.024 4.527 0.082 0.000 0.318 341 F C 0.761 176.661 175.800 0.167 0.000 1.135 341 F CA 0.111 58.077 58.000 -0.057 0.000 0.915 341 F CB 1.466 40.252 39.000 -0.356 0.000 1.176 341 F HN 0.780 nan 8.300 nan 0.000 0.440 342 G N 3.261 112.011 108.800 -0.083 0.000 2.221 342 G HA2 0.012 4.022 3.960 0.082 0.000 0.265 342 G HA3 0.012 4.022 3.960 0.082 0.000 0.265 342 G C 0.992 175.999 174.900 0.178 0.000 1.041 342 G CA 0.484 45.652 45.100 0.114 0.000 0.807 342 G HN 2.175 nan 8.290 nan 0.000 0.502 343 G N -1.606 107.284 108.800 0.150 0.000 2.168 343 G HA2 -0.243 3.766 3.960 0.082 0.000 0.263 343 G HA3 -0.243 3.766 3.960 0.082 0.000 0.263 343 G C 0.057 175.166 174.900 0.349 0.000 0.977 343 G CA 1.112 46.326 45.100 0.191 0.000 0.659 343 G HN 1.080 nan 8.290 nan 0.000 0.533 344 E N -0.353 120.071 120.200 0.373 0.000 2.199 344 E HA 0.465 4.864 4.350 0.082 0.000 0.269 344 E C 0.274 176.895 176.600 0.035 0.000 0.899 344 E CA -1.004 55.566 56.400 0.283 0.000 0.772 344 E CB 1.614 31.509 29.700 0.325 0.000 1.155 344 E HN 0.300 nan 8.360 nan 0.000 0.408 345 R N 2.852 123.187 120.500 -0.275 0.000 2.491 345 R HA 0.154 4.543 4.340 0.082 0.000 0.283 345 R C 0.377 176.549 176.300 -0.214 0.000 1.072 345 R CA 0.369 56.124 56.100 -0.575 0.000 1.048 345 R CB 0.407 30.453 30.300 -0.422 0.000 0.983 345 R HN 0.638 nan 8.270 nan 0.000 0.450 346 I N 2.045 122.459 120.570 -0.259 0.000 3.443 346 I HA 0.259 4.478 4.170 0.082 0.000 0.277 346 I C 0.107 176.063 176.117 -0.270 0.000 1.169 346 I CA 0.079 61.163 61.300 -0.360 0.000 1.419 346 I CB 0.746 38.430 38.000 -0.527 0.000 1.331 346 I HN 0.596 nan 8.210 nan 0.000 0.458 347 A N -0.970 121.745 122.820 -0.176 0.000 2.427 347 A HA 0.349 4.719 4.320 0.082 0.000 0.298 347 A C -0.510 177.038 177.584 -0.058 0.000 1.036 347 A CA -0.477 51.483 52.037 -0.128 0.000 0.701 347 A CB 0.587 19.489 19.000 -0.162 0.000 1.250 347 A HN 0.284 nan 8.150 nan 0.000 0.412 348 Y N 1.611 121.832 120.300 -0.132 0.000 2.263 348 Y HA 0.174 4.773 4.550 0.082 0.000 0.292 348 Y C 0.735 176.545 175.900 -0.149 0.000 1.130 348 Y CA 2.218 60.256 58.100 -0.103 0.000 1.179 348 Y CB 0.378 38.799 38.460 -0.065 0.000 0.998 348 Y HN 0.696 nan 8.280 nan 0.000 0.532 349 E N 0.155 120.290 120.200 -0.107 0.000 2.321 349 E HA 0.486 4.886 4.350 0.082 0.000 0.281 349 E C -2.121 174.369 176.600 -0.183 0.000 0.910 349 E CA -0.675 55.608 56.400 -0.195 0.000 0.770 349 E CB 1.915 31.580 29.700 -0.058 0.000 1.225 349 E HN -0.136 nan 8.360 nan 0.000 0.417 350 V N 3.241 123.011 119.914 -0.241 0.000 2.443 350 V HA 0.552 4.721 4.120 0.082 0.000 0.293 350 V C -0.681 175.324 176.094 -0.147 0.000 1.021 350 V CA -0.596 61.592 62.300 -0.187 0.000 0.848 350 V CB 1.274 32.942 31.823 -0.258 0.000 0.998 350 V HN 0.699 nan 8.190 nan 0.000 0.424 351 S N 2.978 118.710 115.700 0.054 0.000 2.540 351 S HA 0.720 5.240 4.470 0.082 0.000 0.275 351 S C -0.835 173.828 174.600 0.104 0.000 1.123 351 S CA -0.860 57.392 58.200 0.087 0.000 0.907 351 S CB 1.737 64.924 63.200 -0.023 0.000 1.081 351 S HN 0.387 nan 8.310 nan 0.000 0.476 352 V N 3.520 123.400 119.914 -0.057 0.000 2.585 352 V HA 0.142 4.312 4.120 0.082 0.000 0.296 352 V C 0.787 176.674 176.094 -0.345 0.000 1.035 352 V CA 0.231 62.249 62.300 -0.470 0.000 1.084 352 V CB 0.654 31.967 31.823 -0.849 0.000 0.953 352 V HN 0.958 nan 8.190 nan 0.000 0.483 353 Q N 2.264 121.852 119.800 -0.352 0.000 2.423 353 Q HA 0.278 4.667 4.340 0.082 0.000 0.231 353 Q C 0.433 176.277 176.000 -0.259 0.000 0.894 353 Q CA 0.348 56.023 55.803 -0.215 0.000 0.938 353 Q CB 1.137 29.817 28.738 -0.096 0.000 1.079 353 Q HN 0.866 nan 8.270 nan 0.000 0.552 354 E N -1.018 118.976 120.200 -0.343 0.000 2.389 354 E HA 0.597 4.996 4.350 0.082 0.000 0.281 354 E C -2.103 174.418 176.600 -0.132 0.000 1.072 354 E CA -0.335 55.937 56.400 -0.214 0.000 0.845 354 E CB 1.495 31.089 29.700 -0.177 0.000 1.239 354 E HN 0.041 nan 8.360 nan 0.000 0.434 355 A N 1.729 124.582 122.820 0.055 0.000 2.402 355 A HA 0.713 5.082 4.320 0.082 0.000 0.291 355 A C -1.153 176.630 177.584 0.333 0.000 1.051 355 A CA -0.139 52.018 52.037 0.201 0.000 0.716 355 A CB 0.873 19.909 19.000 0.060 0.000 1.223 355 A HN 1.135 nan 8.150 nan 0.000 0.425 356 V N -0.827 119.326 119.914 0.397 0.000 2.914 356 V HA 1.009 5.178 4.120 0.082 0.000 0.314 356 V C -0.180 176.068 176.094 0.258 0.000 1.084 356 V CA -0.429 62.076 62.300 0.341 0.000 0.963 356 V CB 1.672 33.674 31.823 0.299 0.000 1.025 356 V HN 2.081 nan 8.190 nan 0.000 0.432 357 A N 4.627 127.572 122.820 0.208 0.000 2.375 357 A HA 0.825 5.194 4.320 0.082 0.000 0.291 357 A C -0.926 176.652 177.584 -0.010 0.000 1.160 357 A CA -0.536 51.496 52.037 -0.008 0.000 0.747 357 A CB 0.852 19.891 19.000 0.065 0.000 1.170 357 A HN 1.016 nan 8.150 nan 0.000 0.458 358 L N 3.128 124.235 121.223 -0.193 0.000 2.276 358 L HA 0.473 4.862 4.340 0.082 0.000 0.286 358 L C -1.012 175.740 176.870 -0.196 0.000 1.024 358 L CA -0.481 54.303 54.840 -0.092 0.000 0.826 358 L CB 0.622 42.634 42.059 -0.080 0.000 1.211 358 L HN 0.705 nan 8.230 nan 0.000 0.422 359 Y N 1.051 121.360 120.300 0.016 0.000 2.453 359 Y HA 0.701 5.300 4.550 0.082 0.000 0.326 359 Y C 0.906 176.827 175.900 0.034 0.000 1.186 359 Y CA -0.492 57.639 58.100 0.052 0.000 1.200 359 Y CB 2.003 40.492 38.460 0.049 0.000 1.247 359 Y HN 0.531 nan 8.280 nan 0.000 0.482 360 G N -0.665 108.264 108.800 0.214 0.000 2.511 360 G HA2 0.670 4.679 3.960 0.082 0.000 0.318 360 G HA3 0.670 4.679 3.960 0.082 0.000 0.318 360 G C -0.928 174.033 174.900 0.101 0.000 1.210 360 G CA -0.678 44.511 45.100 0.148 0.000 0.969 360 G HN 0.895 nan 8.290 nan 0.000 0.484 361 G N -1.026 107.674 108.800 -0.167 0.000 2.601 361 G HA2 0.467 4.476 3.960 0.082 0.000 0.291 361 G HA3 0.467 4.476 3.960 0.082 0.000 0.291 361 G C 0.158 174.660 174.900 -0.663 0.000 1.456 361 G CA -0.107 44.836 45.100 -0.262 0.000 0.804 361 G HN 0.873 nan 8.290 nan 0.000 0.499 362 H N -1.055 117.720 119.070 -0.493 0.000 2.497 362 H HA 0.099 4.704 4.556 0.082 0.000 0.282 362 H C 1.195 176.293 175.328 -0.384 0.000 1.003 362 H CA 1.169 57.020 56.048 -0.328 0.000 1.307 362 H CB -0.516 29.227 29.762 -0.033 0.000 1.437 362 H HN 0.616 nan 8.280 nan 0.000 0.544 363 T N -0.603 113.305 114.554 -1.076 0.000 2.922 363 T HA 0.202 4.601 4.350 0.082 0.000 0.285 363 T C -1.609 172.447 174.700 -1.073 0.000 1.005 363 T CA -1.804 59.435 62.100 -1.436 0.000 1.061 363 T CB 2.486 70.376 68.868 -1.630 0.000 1.007 363 T HN -0.077 nan 8.240 nan 0.000 0.502 364 P HA -0.064 nan 4.420 nan 0.000 0.216 364 P C 1.585 178.295 177.300 -0.983 0.000 1.150 364 P CA 1.402 63.844 63.100 -1.097 0.000 0.837 364 P CB -0.345 30.378 31.700 -1.628 0.000 0.786 365 A N 0.489 122.775 122.820 -0.889 0.000 1.877 365 A HA -0.083 4.286 4.320 0.082 0.000 0.216 365 A C 2.623 180.043 177.584 -0.273 0.000 1.186 365 A CA 2.192 54.004 52.037 -0.375 0.000 0.620 365 A CB -1.946 16.944 19.000 -0.183 0.000 0.822 365 A HN 0.284 nan 8.150 nan 0.000 0.443 366 G N 0.538 109.116 108.800 -0.370 0.000 2.446 366 G HA2 -0.279 3.730 3.960 0.082 0.000 0.217 366 G HA3 -0.279 3.730 3.960 0.082 0.000 0.217 366 G C 1.676 176.479 174.900 -0.162 0.000 1.168 366 G CA 1.522 46.469 45.100 -0.256 0.000 0.771 366 G HN 0.740 nan 8.290 nan 0.000 0.551 367 M N -0.582 118.876 119.600 -0.236 0.000 2.476 367 M HA 0.234 4.763 4.480 0.082 0.000 0.262 367 M C 2.196 178.465 176.300 -0.052 0.000 1.079 367 M CA 1.724 56.941 55.300 -0.138 0.000 1.104 367 M CB 0.007 32.501 32.600 -0.178 0.000 1.409 367 M HN 0.208 nan 8.290 nan 0.000 0.467 368 Q N 1.723 121.481 119.800 -0.070 0.000 2.269 368 Q HA 0.087 4.476 4.340 0.082 0.000 0.201 368 Q C -0.146 175.856 176.000 0.003 0.000 0.946 368 Q CA 0.959 56.779 55.803 0.028 0.000 0.877 368 Q CB -0.011 28.791 28.738 0.106 0.000 0.963 368 Q HN 0.493 nan 8.270 nan 0.000 0.472 369 T N 2.051 116.571 114.554 -0.057 0.000 2.738 369 T HA 0.248 4.647 4.350 0.082 0.000 0.293 369 T C -0.578 174.088 174.700 -0.057 0.000 0.913 369 T CA -0.002 61.978 62.100 -0.200 0.000 1.103 369 T CB 0.289 68.919 68.868 -0.397 0.000 0.880 369 T HN 0.062 nan 8.240 nan 0.000 0.526 370 K N 3.577 123.915 120.400 -0.103 0.000 2.626 370 K HA 0.252 4.621 4.320 0.082 0.000 0.223 370 K C -1.209 175.424 176.600 0.056 0.000 0.992 370 K CA -0.657 55.637 56.287 0.012 0.000 1.024 370 K CB 1.000 33.500 32.500 -0.001 0.000 1.225 370 K HN 0.459 nan 8.250 nan 0.000 0.498 371 Y N 1.879 122.284 120.300 0.174 0.000 2.335 371 Y HA 0.225 4.824 4.550 0.081 0.000 0.331 371 Y C -0.068 175.972 175.900 0.233 0.000 1.094 371 Y CA -0.619 57.596 58.100 0.192 0.000 1.253 371 Y CB 0.691 39.199 38.460 0.081 0.000 1.203 371 Y HN 0.296 nan 8.280 nan 0.000 0.508 372 L N 4.304 125.825 121.223 0.498 0.000 2.377 372 L HA 0.324 4.713 4.340 0.082 0.000 0.270 372 L C 0.498 177.650 176.870 0.469 0.000 0.991 372 L CA -0.359 54.719 54.840 0.396 0.000 0.851 372 L CB 1.392 43.637 42.059 0.309 0.000 1.218 372 L HN 0.579 nan 8.230 nan 0.000 0.420 373 D N 1.446 122.073 120.400 0.379 0.000 2.317 373 D HA -0.048 4.642 4.640 0.082 0.000 0.211 373 D C 1.967 178.446 176.300 0.299 0.000 0.966 373 D CA 0.697 54.924 54.000 0.379 0.000 0.876 373 D CB 0.581 41.523 40.800 0.236 0.000 0.927 373 D HN 0.288 nan 8.370 nan 0.000 0.519 374 V N 0.967 120.989 119.914 0.180 0.000 2.515 374 V HA -0.131 4.038 4.120 0.082 0.000 0.250 374 V C 2.431 178.608 176.094 0.139 0.000 1.058 374 V CA 1.776 64.133 62.300 0.094 0.000 1.064 374 V CB -0.778 31.057 31.823 0.019 0.000 0.675 374 V HN 0.242 nan 8.190 nan 0.000 0.461 375 G N -1.730 107.179 108.800 0.182 0.000 2.653 375 G HA2 -0.208 3.801 3.960 0.082 0.000 0.212 375 G HA3 -0.208 3.801 3.960 0.082 0.000 0.212 375 G C 0.744 175.569 174.900 -0.124 0.000 1.138 375 G CA 0.136 45.257 45.100 0.034 0.000 0.782 375 G HN 0.694 nan 8.290 nan 0.000 0.535 376 W N -0.700 120.694 121.300 0.157 0.000 2.653 376 W HA 0.461 5.172 4.660 0.084 0.000 0.391 376 W C 1.149 177.625 176.519 -0.071 0.000 0.962 376 W CA -0.618 56.819 57.345 0.153 0.000 1.900 376 W CB 0.155 29.680 29.460 0.107 0.000 1.176 376 W HN 0.237 nan 8.180 nan 0.000 0.582 377 G N 2.182 110.978 108.800 -0.006 0.000 2.370 377 G HA2 -0.330 3.679 3.960 0.082 0.000 0.295 377 G HA3 -0.330 3.679 3.960 0.082 0.000 0.295 377 G C 0.688 175.409 174.900 -0.299 0.000 1.045 377 G CA 0.158 44.986 45.100 -0.454 0.000 1.199 377 G HN 0.301 nan 8.290 nan 0.000 0.513 378 L N 0.819 121.967 121.223 -0.124 0.000 2.081 378 L HA 0.079 4.468 4.340 0.082 0.000 0.212 378 L C 2.545 179.297 176.870 -0.197 0.000 1.080 378 L CA 3.358 58.131 54.840 -0.112 0.000 0.754 378 L CB -0.556 41.419 42.059 -0.141 0.000 0.893 378 L HN 0.588 nan 8.230 nan 0.000 0.433 379 G N -2.473 106.171 108.800 -0.259 0.000 2.920 379 G HA2 -0.042 3.967 3.960 0.082 0.000 0.208 379 G HA3 -0.042 3.967 3.960 0.082 0.000 0.208 379 G C 1.064 175.661 174.900 -0.506 0.000 1.159 379 G CA 0.644 45.580 45.100 -0.273 0.000 0.784 379 G HN 0.549 nan 8.290 nan 0.000 0.535 380 S N -0.610 114.650 115.700 -0.734 0.000 2.749 380 S HA 0.183 4.702 4.470 0.082 0.000 0.246 380 S C 0.782 174.861 174.600 -0.869 0.000 1.023 380 S CA 0.251 57.641 58.200 -1.350 0.000 1.012 380 S CB 0.568 63.019 63.200 -1.248 0.000 0.942 380 S HN 0.436 nan 8.310 nan 0.000 0.531 381 V N 0.198 119.823 119.914 -0.482 0.000 2.933 381 V HA 0.408 4.577 4.120 0.082 0.000 0.374 381 V C 0.519 176.492 176.094 -0.201 0.000 1.321 381 V CA -0.081 62.058 62.300 -0.269 0.000 1.290 381 V CB -1.203 30.619 31.823 -0.001 0.000 1.346 381 V HN 0.505 nan 8.190 nan 0.000 0.560 382 T N -1.125 113.252 114.554 -0.295 0.000 3.945 382 T HA 0.331 4.730 4.350 0.082 0.000 0.306 382 T C 0.270 174.967 174.700 -0.004 0.000 1.475 382 T CA -0.214 61.847 62.100 -0.065 0.000 1.177 382 T CB -0.645 68.219 68.868 -0.007 0.000 1.272 382 T HN 0.557 nan 8.240 nan 0.000 0.930 383 H N 1.243 120.399 119.070 0.144 0.000 2.544 383 H HA 0.285 4.889 4.556 0.081 0.000 0.365 383 H C 0.479 175.876 175.328 0.116 0.000 1.268 383 H CA -0.620 55.495 56.048 0.112 0.000 1.400 383 H CB 0.792 30.574 29.762 0.033 0.000 1.538 383 H HN 0.644 nan 8.280 nan 0.000 0.597 384 E N 1.416 121.749 120.200 0.221 0.000 2.493 384 E HA 0.013 4.413 4.350 0.082 0.000 0.255 384 E C -0.468 176.260 176.600 0.213 0.000 0.999 384 E CA -0.254 56.187 56.400 0.068 0.000 0.934 384 E CB 0.206 29.730 29.700 -0.294 0.000 0.940 384 E HN 0.266 nan 8.360 nan 0.000 0.473 385 L N 3.824 125.159 121.223 0.187 0.000 2.360 385 L HA 0.220 4.609 4.340 0.082 0.000 0.276 385 L C 0.293 177.308 176.870 0.240 0.000 1.121 385 L CA -0.420 54.576 54.840 0.260 0.000 0.845 385 L CB 0.984 43.245 42.059 0.337 0.000 1.143 385 L HN 0.571 nan 8.230 nan 0.000 0.452 386 A N 6.358 129.366 122.820 0.313 0.000 2.310 386 A HA 0.539 4.908 4.320 0.082 0.000 0.300 386 A C -2.320 175.387 177.584 0.205 0.000 1.269 386 A CA -1.494 50.728 52.037 0.307 0.000 0.909 386 A CB -0.191 18.947 19.000 0.230 0.000 1.144 386 A HN 0.388 nan 8.150 nan 0.000 0.540 387 P HA 0.295 nan 4.420 nan 0.000 0.267 387 P C 1.150 178.603 177.300 0.256 0.000 1.205 387 P CA 1.645 64.778 63.100 0.055 0.000 0.765 387 P CB 0.968 32.486 31.700 -0.303 0.000 0.828 388 G N 2.506 111.429 108.800 0.204 0.000 2.284 388 G HA2 -0.269 3.740 3.960 0.082 0.000 0.230 388 G HA3 -0.269 3.740 3.960 0.082 0.000 0.230 388 G C 0.730 175.655 174.900 0.042 0.000 1.021 388 G CA 0.279 45.444 45.100 0.108 0.000 0.619 388 G HN 0.476 nan 8.290 nan 0.000 0.510 389 I N -0.122 120.488 120.570 0.068 0.000 3.523 389 I HA 0.185 4.404 4.170 0.082 0.000 0.244 389 I C 1.992 178.112 176.117 0.005 0.000 1.110 389 I CA 0.634 61.941 61.300 0.012 0.000 1.517 389 I CB -0.265 37.736 38.000 0.002 0.000 1.505 389 I HN -0.078 nan 8.210 nan 0.000 0.460 390 D N 0.832 121.268 120.400 0.061 0.000 2.149 390 D HA -0.009 4.680 4.640 0.082 0.000 0.201 390 D C 0.405 176.718 176.300 0.022 0.000 0.972 390 D CA 1.027 55.063 54.000 0.059 0.000 0.835 390 D CB 0.159 41.039 40.800 0.133 0.000 0.966 390 D HN 0.292 nan 8.370 nan 0.000 0.476 391 c N -0.084 118.529 118.600 0.023 0.000 3.080 391 c HA 0.461 5.080 4.570 0.082 0.000 0.307 391 c C -2.417 171.504 174.090 -0.283 0.000 1.311 391 c CA -1.799 54.354 56.329 -0.294 0.000 1.533 391 c CB 1.912 44.230 42.510 -0.320 0.000 1.970 391 c HN 0.024 nan 8.230 nan 0.000 0.467 392 P HA 0.137 nan 4.420 nan 0.000 0.269 392 P C 0.201 177.469 177.300 -0.054 0.000 1.217 392 P CA 0.365 63.286 63.100 -0.299 0.000 0.783 392 P CB 0.516 31.988 31.700 -0.380 0.000 0.898 393 E N -0.050 120.174 120.200 0.041 0.000 2.209 393 E HA -0.152 4.247 4.350 0.082 0.000 0.196 393 E C 1.420 178.113 176.600 0.155 0.000 0.993 393 E CA 1.829 58.313 56.400 0.139 0.000 0.819 393 E CB -0.827 28.929 29.700 0.094 0.000 0.745 393 E HN 0.583 nan 8.360 nan 0.000 0.477 394 T N -1.942 112.651 114.554 0.065 0.000 3.129 394 T HA 0.376 4.775 4.350 0.082 0.000 0.251 394 T C 0.827 175.558 174.700 0.052 0.000 1.117 394 T CA 0.094 62.234 62.100 0.067 0.000 1.034 394 T CB 0.058 68.955 68.868 0.049 0.000 0.968 394 T HN 0.135 nan 8.240 nan 0.000 0.526 395 A N 1.633 124.412 122.820 -0.069 0.000 2.386 395 A HA 0.512 4.881 4.320 0.082 0.000 0.248 395 A C 0.530 177.936 177.584 -0.297 0.000 1.082 395 A CA -0.423 51.455 52.037 -0.265 0.000 0.789 395 A CB 0.024 18.591 19.000 -0.723 0.000 1.025 395 A HN 0.341 nan 8.150 nan 0.000 0.490 396 T N 2.603 117.084 114.554 -0.121 0.000 2.729 396 T HA 0.439 4.838 4.350 0.082 0.000 0.296 396 T C -0.655 173.918 174.700 -0.212 0.000 0.928 396 T CA 0.568 62.657 62.100 -0.018 0.000 1.045 396 T CB -0.569 68.418 68.868 0.199 0.000 0.902 396 T HN 0.313 nan 8.240 nan 0.000 0.500 397 F N 3.157 123.165 119.950 0.098 0.000 2.404 397 F HA 0.544 5.120 4.527 0.082 0.000 0.339 397 F C 0.293 176.136 175.800 0.072 0.000 1.105 397 F CA -1.116 56.927 58.000 0.071 0.000 1.087 397 F CB 0.881 39.904 39.000 0.039 0.000 1.143 397 F HN 0.213 nan 8.300 nan 0.000 0.491 398 L N 3.299 124.651 121.223 0.215 0.000 2.362 398 L HA 0.471 4.860 4.340 0.082 0.000 0.275 398 L C -0.843 176.100 176.870 0.122 0.000 0.998 398 L CA -1.048 53.891 54.840 0.166 0.000 0.820 398 L CB 1.728 43.883 42.059 0.160 0.000 1.270 398 L HN 0.477 nan 8.230 nan 0.000 0.415 399 D N 0.672 121.127 120.400 0.092 0.000 2.387 399 D HA 0.580 5.269 4.640 0.082 0.000 0.251 399 D C -0.043 176.237 176.300 -0.034 0.000 1.141 399 D CA 0.012 53.993 54.000 -0.031 0.000 0.987 399 D CB 1.907 42.697 40.800 -0.016 0.000 1.116 399 D HN 0.401 nan 8.370 nan 0.000 0.491 400 T N -0.611 113.827 114.554 -0.194 0.000 2.792 400 T HA 0.574 4.974 4.350 0.082 0.000 0.303 400 T C -1.771 172.722 174.700 -0.346 0.000 1.310 400 T CA -0.564 61.438 62.100 -0.163 0.000 1.007 400 T CB 0.353 69.099 68.868 -0.203 0.000 1.335 400 T HN 0.138 nan 8.240 nan 0.000 0.504 401 F N 2.186 122.026 119.950 -0.183 0.000 2.495 401 F HA 0.594 5.168 4.527 0.080 0.000 0.327 401 F C 0.395 176.029 175.800 -0.277 0.000 1.103 401 F CA -0.669 57.281 58.000 -0.083 0.000 0.949 401 F CB 1.603 40.633 39.000 0.049 0.000 1.142 401 F HN 0.450 nan 8.300 nan 0.000 0.457 402 H N 2.315 121.525 119.070 0.232 0.000 2.572 402 H HA 0.222 4.826 4.556 0.081 0.000 0.359 402 H C -1.626 173.856 175.328 0.256 0.000 1.134 402 H CA -0.774 55.340 56.048 0.110 0.000 1.187 402 H CB 2.230 31.864 29.762 -0.212 0.000 1.597 402 H HN 0.656 nan 8.280 nan 0.000 0.524 403 Y N 3.805 124.246 120.300 0.235 0.000 2.686 403 Y HA 0.275 4.870 4.550 0.075 0.000 0.331 403 Y C -1.712 174.238 175.900 0.083 0.000 0.996 403 Y CA -0.726 57.457 58.100 0.137 0.000 1.293 403 Y CB 0.381 38.886 38.460 0.074 0.000 1.092 403 Y HN 0.565 nan 8.280 nan 0.000 0.524 404 Y N 5.754 125.880 120.300 -0.291 0.000 2.332 404 Y HA 0.301 4.904 4.550 0.087 0.000 0.325 404 Y C -0.195 175.371 175.900 -0.557 0.000 1.054 404 Y CA -1.184 56.645 58.100 -0.450 0.000 1.119 404 Y CB 0.870 39.147 38.460 -0.306 0.000 1.168 404 Y HN 0.655 nan 8.280 nan 0.000 0.439 405 D N 3.705 123.432 120.400 -1.121 0.000 2.735 405 D HA -0.173 4.516 4.640 0.082 0.000 0.235 405 D C -1.353 174.777 176.300 -0.282 0.000 1.175 405 D CA 1.657 55.282 54.000 -0.624 0.000 0.683 405 D CB -0.849 39.776 40.800 -0.292 0.000 1.008 405 D HN 0.847 nan 8.370 nan 0.000 0.416 406 A N 0.491 123.029 122.820 -0.470 0.000 2.556 406 A HA 0.582 4.951 4.320 0.082 0.000 0.294 406 A C 0.588 177.971 177.584 -0.334 0.000 1.091 406 A CA -0.430 51.401 52.037 -0.343 0.000 0.704 406 A CB 1.408 20.203 19.000 -0.341 0.000 1.300 406 A HN 0.002 nan 8.150 nan 0.000 0.406 407 D N 0.259 120.595 120.400 -0.108 0.000 2.213 407 D HA 0.101 4.790 4.640 0.082 0.000 0.205 407 D C -0.227 176.051 176.300 -0.036 0.000 0.961 407 D CA 1.445 55.446 54.000 0.001 0.000 0.853 407 D CB 0.332 41.153 40.800 0.035 0.000 0.967 407 D HN 0.586 nan 8.370 nan 0.000 0.496 408 D N -0.975 119.406 120.400 -0.032 0.000 2.559 408 D HA 0.293 4.982 4.640 0.082 0.000 0.250 408 D C -2.639 173.764 176.300 0.173 0.000 1.135 408 D CA -1.536 52.478 54.000 0.023 0.000 0.955 408 D CB 2.041 42.849 40.800 0.013 0.000 1.442 408 D HN -0.234 nan 8.370 nan 0.000 0.471 409 P HA 0.084 nan 4.420 nan 0.000 0.268 409 P C -0.536 177.014 177.300 0.417 0.000 1.204 409 P CA -0.149 63.179 63.100 0.380 0.000 0.768 409 P CB 0.622 32.475 31.700 0.255 0.000 0.842 410 V N 3.876 124.071 119.914 0.468 0.000 2.459 410 V HA 0.177 4.346 4.120 0.082 0.000 0.295 410 V C 0.399 176.703 176.094 0.350 0.000 1.029 410 V CA -0.647 61.899 62.300 0.410 0.000 0.874 410 V CB 0.980 33.052 31.823 0.415 0.000 0.985 410 V HN 0.624 nan 8.190 nan 0.000 0.438 411 H N 4.702 123.734 119.070 -0.064 0.000 2.767 411 H HA 0.228 4.832 4.556 0.081 0.000 0.316 411 H C -1.624 173.571 175.328 -0.221 0.000 1.059 411 H CA -0.029 55.666 56.048 -0.589 0.000 1.461 411 H CB 0.499 29.949 29.762 -0.519 0.000 1.475 411 H HN 0.578 nan 8.280 nan 0.000 0.531 412 Y N 6.921 126.771 120.300 -0.750 0.000 2.402 412 Y HA 0.215 4.813 4.550 0.080 0.000 0.332 412 Y C -1.964 173.574 175.900 -0.603 0.000 0.960 412 Y CA -2.744 55.086 58.100 -0.450 0.000 1.228 412 Y CB 1.305 39.605 38.460 -0.265 0.000 1.120 412 Y HN 0.588 nan 8.280 nan 0.000 0.491 413 P HA 0.107 nan 4.420 nan 0.000 0.276 413 P C -0.538 176.697 177.300 -0.109 0.000 1.230 413 P CA -0.219 62.728 63.100 -0.255 0.000 0.776 413 P CB 0.789 32.410 31.700 -0.133 0.000 0.888 414 R N 1.254 121.736 120.500 -0.031 0.000 3.251 414 R HA -0.212 4.177 4.340 0.082 0.000 0.249 414 R C 1.017 177.387 176.300 0.117 0.000 0.949 414 R CA 0.441 56.596 56.100 0.092 0.000 0.645 414 R CB -2.394 27.919 30.300 0.022 0.000 1.065 414 R HN 0.615 nan 8.270 nan 0.000 0.452 415 A N 0.025 122.895 122.820 0.083 0.000 1.970 415 A HA 0.124 4.493 4.320 0.082 0.000 0.216 415 A C 0.716 178.370 177.584 0.117 0.000 1.170 415 A CA 0.842 52.936 52.037 0.095 0.000 0.645 415 A CB 0.280 19.307 19.000 0.045 0.000 0.816 415 A HN 0.234 nan 8.150 nan 0.000 0.447 416 L N -1.984 119.307 121.223 0.115 0.000 2.283 416 L HA 0.632 5.021 4.340 0.082 0.000 0.259 416 L C -0.230 176.693 176.870 0.087 0.000 1.027 416 L CA -0.760 54.133 54.840 0.088 0.000 0.828 416 L CB 1.645 43.719 42.059 0.024 0.000 1.380 416 L HN 0.357 nan 8.230 nan 0.000 0.425 417 c N 0.272 118.883 118.600 0.020 0.000 2.898 417 c HA 0.912 5.531 4.570 0.082 0.000 0.304 417 c C -1.131 172.897 174.090 -0.104 0.000 1.237 417 c CA -0.933 55.343 56.329 -0.089 0.000 1.529 417 c CB 1.380 43.764 42.510 -0.211 0.000 2.021 417 c HN 0.792 nan 8.230 nan 0.000 0.474 418 L N 3.465 124.596 121.223 -0.154 0.000 2.409 418 L HA 0.971 5.360 4.340 0.082 0.000 0.272 418 L C -0.781 175.945 176.870 -0.241 0.000 0.980 418 L CA -0.410 54.234 54.840 -0.326 0.000 0.826 418 L CB 1.362 43.173 42.059 -0.413 0.000 1.268 418 L HN 0.967 nan 8.230 nan 0.000 0.407 419 F N 1.603 121.261 119.950 -0.487 0.000 2.678 419 F HA 0.619 5.195 4.527 0.081 0.000 0.308 419 F C -1.037 174.611 175.800 -0.253 0.000 1.118 419 F CA -0.916 56.927 58.000 -0.261 0.000 0.959 419 F CB 1.193 40.093 39.000 -0.167 0.000 1.305 419 F HN 0.564 nan 8.300 nan 0.000 0.443 420 E N 3.826 124.113 120.200 0.144 0.000 2.216 420 E HA 0.683 5.082 4.350 0.082 0.000 0.279 420 E C -1.163 175.569 176.600 0.220 0.000 0.997 420 E CA -1.030 55.405 56.400 0.057 0.000 0.817 420 E CB 1.467 31.272 29.700 0.174 0.000 1.096 420 E HN 0.792 nan 8.360 nan 0.000 0.393 421 M N 2.675 122.362 119.600 0.144 0.000 2.433 421 M HA 0.566 5.096 4.480 0.082 0.000 0.290 421 M C -2.741 173.621 176.300 0.104 0.000 1.173 421 M CA -2.404 53.002 55.300 0.176 0.000 0.905 421 M CB 2.346 35.109 32.600 0.272 0.000 1.692 421 M HN 0.098 nan 8.290 nan 0.000 0.462 422 P HA 0.100 nan 4.420 nan 0.000 0.268 422 P C 0.608 177.948 177.300 0.067 0.000 1.204 422 P CA 0.037 63.189 63.100 0.086 0.000 0.768 422 P CB 0.757 32.507 31.700 0.083 0.000 0.842 423 T N -1.101 113.492 114.554 0.064 0.000 3.067 423 T HA 0.138 4.537 4.350 0.082 0.000 0.261 423 T C 1.427 176.162 174.700 0.058 0.000 1.110 423 T CA 0.778 62.912 62.100 0.057 0.000 1.113 423 T CB -0.956 67.960 68.868 0.081 0.000 0.917 423 T HN 0.652 nan 8.240 nan 0.000 0.499 424 G N 0.251 109.088 108.800 0.062 0.000 2.148 424 G HA2 -0.170 3.839 3.960 0.082 0.000 0.254 424 G HA3 -0.170 3.839 3.960 0.082 0.000 0.254 424 G C 0.067 175.000 174.900 0.055 0.000 0.981 424 G CA 0.150 45.281 45.100 0.051 0.000 0.670 424 G HN 1.181 nan 8.290 nan 0.000 0.528 425 V N 1.366 121.324 119.914 0.072 0.000 2.668 425 V HA 0.706 4.875 4.120 0.082 0.000 0.304 425 V C -2.205 173.946 176.094 0.096 0.000 1.071 425 V CA -1.745 60.600 62.300 0.075 0.000 0.894 425 V CB 2.469 34.331 31.823 0.066 0.000 1.008 425 V HN 0.103 nan 8.190 nan 0.000 0.425 426 P HA 0.102 nan 4.420 nan 0.000 0.269 426 P C 0.864 178.227 177.300 0.105 0.000 1.209 426 P CA 0.069 63.235 63.100 0.109 0.000 0.776 426 P CB 1.098 32.870 31.700 0.120 0.000 0.876 427 L N 1.926 123.217 121.223 0.113 0.000 2.083 427 L HA -0.088 4.302 4.340 0.082 0.000 0.209 427 L C 1.079 177.991 176.870 0.070 0.000 1.083 427 L CA 1.471 56.377 54.840 0.109 0.000 0.752 427 L CB -0.046 42.088 42.059 0.126 0.000 0.899 427 L HN 0.530 nan 8.230 nan 0.000 0.433 428 R N -0.803 119.734 120.500 0.062 0.000 2.663 428 R HA 0.628 5.017 4.340 0.082 0.000 0.267 428 R C -1.355 174.970 176.300 0.041 0.000 1.038 428 R CA -1.032 55.094 56.100 0.044 0.000 0.886 428 R CB 1.223 31.535 30.300 0.021 0.000 1.249 428 R HN 0.066 nan 8.270 nan 0.000 0.463 429 R N 0.233 120.762 120.500 0.048 0.000 2.663 429 R HA 0.573 4.962 4.340 0.082 0.000 0.267 429 R C -1.900 174.450 176.300 0.083 0.000 1.038 429 R CA -1.072 55.037 56.100 0.015 0.000 0.886 429 R CB 1.271 31.638 30.300 0.111 0.000 1.249 429 R HN 0.860 nan 8.270 nan 0.000 0.463 430 H N 1.192 120.178 119.070 -0.139 0.000 3.026 430 H HA 0.455 5.060 4.556 0.082 0.000 0.352 430 H C -2.144 173.145 175.328 -0.065 0.000 1.090 430 H CA -1.053 54.958 56.048 -0.061 0.000 1.268 430 H CB 1.207 30.930 29.762 -0.065 0.000 1.816 430 H HN 0.610 nan 8.280 nan 0.000 0.518 431 F N 5.579 125.121 119.950 -0.680 0.000 2.334 431 F HA 0.333 4.909 4.527 0.082 0.000 0.367 431 F C -0.247 174.969 175.800 -0.973 0.000 1.115 431 F CA -0.471 57.214 58.000 -0.524 0.000 1.116 431 F CB 0.509 39.386 39.000 -0.205 0.000 1.230 431 F HN 0.593 nan 8.300 nan 0.000 0.484 432 N N 5.170 123.074 118.700 -1.327 0.000 2.719 432 N HA 0.002 4.791 4.740 0.082 0.000 0.243 432 N C -0.420 174.569 175.510 -0.868 0.000 1.104 432 N CA -0.009 52.445 53.050 -0.994 0.000 0.981 432 N CB 0.613 38.322 38.487 -1.295 0.000 1.290 432 N HN 0.597 nan 8.380 nan 0.000 0.513 433 S N 1.918 117.193 115.700 -0.709 0.000 2.572 433 S HA 0.009 4.528 4.470 0.082 0.000 0.279 433 S C 1.391 175.469 174.600 -0.871 0.000 1.341 433 S CA -0.471 57.324 58.200 -0.674 0.000 1.043 433 S CB 0.472 63.328 63.200 -0.573 0.000 0.887 433 S HN 0.739 nan 8.310 nan 0.000 0.516 434 N N 2.983 121.379 118.700 -0.507 0.000 2.336 434 N HA 0.042 4.831 4.740 0.082 0.000 0.189 434 N C 0.262 175.690 175.510 -0.137 0.000 1.113 434 N CA 0.174 53.046 53.050 -0.295 0.000 0.858 434 N CB -0.930 37.512 38.487 -0.075 0.000 0.970 434 N HN 0.716 nan 8.380 nan 0.000 0.471 435 F N -1.085 118.911 119.950 0.077 0.000 3.006 435 F HA -0.254 4.322 4.527 0.082 0.000 0.289 435 F C 0.015 175.850 175.800 0.057 0.000 0.772 435 F CA 0.713 58.754 58.000 0.067 0.000 1.162 435 F CB -1.996 37.033 39.000 0.049 0.000 1.382 435 F HN 0.148 nan 8.300 nan 0.000 0.406 436 K N -0.018 120.470 120.400 0.147 0.000 3.123 436 K HA 0.526 4.895 4.320 0.082 0.000 0.209 436 K C 0.926 177.578 176.600 0.086 0.000 1.132 436 K CA 0.295 56.649 56.287 0.112 0.000 0.992 436 K CB 0.938 33.496 32.500 0.097 0.000 0.773 436 K HN 0.325 nan 8.250 nan 0.000 0.458 437 G N -0.203 108.648 108.800 0.086 0.000 2.159 437 G HA2 -0.246 3.763 3.960 0.082 0.000 0.256 437 G HA3 -0.246 3.763 3.960 0.082 0.000 0.256 437 G C 0.348 175.299 174.900 0.086 0.000 0.977 437 G CA 0.035 45.178 45.100 0.072 0.000 0.652 437 G HN 0.635 nan 8.290 nan 0.000 0.531 438 G N -0.898 107.966 108.800 0.107 0.000 2.947 438 G HA2 0.935 4.944 3.960 0.082 0.000 0.293 438 G HA3 0.935 4.944 3.960 0.082 0.000 0.293 438 G C -0.708 174.307 174.900 0.193 0.000 1.243 438 G CA -0.350 44.853 45.100 0.171 0.000 0.802 438 G HN 1.419 nan 8.290 nan 0.000 0.560 439 F N -1.276 118.588 119.950 -0.143 0.000 2.645 439 F HA 0.608 5.184 4.527 0.082 0.000 0.310 439 F C 0.070 175.732 175.800 -0.230 0.000 1.102 439 F CA -1.323 56.455 58.000 -0.370 0.000 0.952 439 F CB 1.628 40.223 39.000 -0.675 0.000 1.326 439 F HN 0.269 nan 8.300 nan 0.000 0.456 440 N N 1.160 119.573 118.700 -0.477 0.000 2.387 440 N HA 0.169 4.958 4.740 0.082 0.000 0.176 440 N C -0.650 174.624 175.510 -0.394 0.000 1.022 440 N CA 1.194 54.047 53.050 -0.329 0.000 0.883 440 N CB 0.342 38.780 38.487 -0.082 0.000 1.019 440 N HN 0.675 nan 8.380 nan 0.000 0.435 441 F N -2.132 117.378 119.950 -0.734 0.000 2.799 441 F HA 0.422 4.998 4.527 0.082 0.000 0.316 441 F C -1.754 173.879 175.800 -0.277 0.000 1.155 441 F CA -1.770 55.761 58.000 -0.782 0.000 0.916 441 F CB 0.744 39.114 39.000 -1.049 0.000 1.294 441 F HN -0.179 nan 8.300 nan 0.000 0.447 442 Y N 1.903 122.207 120.300 0.005 0.000 2.364 442 Y HA 0.855 5.454 4.550 0.082 0.000 0.340 442 Y C -1.200 174.772 175.900 0.119 0.000 0.975 442 Y CA -0.988 57.125 58.100 0.022 0.000 1.089 442 Y CB 1.653 40.191 38.460 0.131 0.000 1.192 442 Y HN 1.075 nan 8.280 nan 0.000 0.454 443 A N 4.110 126.554 122.820 -0.626 0.000 2.343 443 A HA 0.883 5.252 4.320 0.082 0.000 0.316 443 A C -0.594 176.536 177.584 -0.756 0.000 1.104 443 A CA -0.151 51.620 52.037 -0.442 0.000 0.768 443 A CB 0.918 19.894 19.000 -0.041 0.000 1.213 443 A HN 1.213 nan 8.150 nan 0.000 0.456 444 G N 0.094 108.666 108.800 -0.380 0.000 2.706 444 G HA2 0.600 4.609 3.960 0.082 0.000 0.297 444 G HA3 0.600 4.609 3.960 0.082 0.000 0.297 444 G C -2.027 172.900 174.900 0.045 0.000 1.403 444 G CA -0.474 44.555 45.100 -0.118 0.000 0.954 444 G HN 1.181 nan 8.290 nan 0.000 0.500 445 L N 1.170 122.431 121.223 0.064 0.000 2.372 445 L HA 0.567 4.956 4.340 0.082 0.000 0.273 445 L C 0.406 177.341 176.870 0.109 0.000 0.989 445 L CA -1.020 53.870 54.840 0.083 0.000 0.841 445 L CB 1.394 43.486 42.059 0.055 0.000 1.225 445 L HN 0.575 nan 8.230 nan 0.000 0.414 446 K N 3.226 123.699 120.400 0.123 0.000 2.550 446 K HA 0.220 4.589 4.320 0.082 0.000 0.280 446 K C 0.242 176.918 176.600 0.127 0.000 0.987 446 K CA 0.592 56.953 56.287 0.124 0.000 1.048 446 K CB 0.334 32.906 32.500 0.121 0.000 0.879 446 K HN 0.926 nan 8.250 nan 0.000 0.491 447 G N 3.875 112.751 108.800 0.126 0.000 2.364 447 G HA2 0.148 4.157 3.960 0.082 0.000 0.267 447 G HA3 0.148 4.157 3.960 0.082 0.000 0.267 447 G C -0.804 174.177 174.900 0.135 0.000 1.233 447 G CA -0.408 44.777 45.100 0.141 0.000 0.885 447 G HN 0.560 nan 8.290 nan 0.000 0.490 448 Q N 0.234 120.128 119.800 0.156 0.000 2.421 448 Q HA 0.640 5.030 4.340 0.082 0.000 0.280 448 Q C -1.267 174.797 176.000 0.106 0.000 1.085 448 Q CA -0.843 55.048 55.803 0.146 0.000 0.807 448 Q CB 2.900 31.769 28.738 0.219 0.000 1.405 448 Q HN 0.446 nan 8.270 nan 0.000 0.419 449 V N 1.583 121.490 119.914 -0.010 0.000 3.049 449 V HA 0.493 4.662 4.120 0.082 0.000 0.309 449 V C -1.650 174.285 176.094 -0.264 0.000 1.148 449 V CA -0.823 61.367 62.300 -0.183 0.000 0.990 449 V CB 2.501 34.000 31.823 -0.539 0.000 1.039 449 V HN 0.684 nan 8.190 nan 0.000 0.430 450 L N 6.082 127.077 121.223 -0.381 0.000 2.289 450 L HA 0.730 5.119 4.340 0.082 0.000 0.285 450 L C -0.762 175.794 176.870 -0.524 0.000 1.049 450 L CA 0.296 54.754 54.840 -0.637 0.000 0.804 450 L CB 1.528 43.034 42.059 -0.922 0.000 1.195 450 L HN 0.484 nan 8.230 nan 0.000 0.428 451 V N 6.187 125.621 119.914 -0.800 0.000 2.448 451 V HA 0.438 4.607 4.120 0.082 0.000 0.295 451 V C -0.631 175.048 176.094 -0.692 0.000 1.025 451 V CA -0.652 61.160 62.300 -0.814 0.000 0.859 451 V CB 1.600 32.637 31.823 -1.310 0.000 0.988 451 V HN 0.652 nan 8.190 nan 0.000 0.431 452 L N 6.152 127.177 121.223 -0.330 0.000 2.305 452 L HA 0.728 5.117 4.340 0.082 0.000 0.284 452 L C -0.344 176.459 176.870 -0.112 0.000 1.013 452 L CA -0.051 54.662 54.840 -0.213 0.000 0.819 452 L CB 1.076 43.101 42.059 -0.058 0.000 1.227 452 L HN 0.777 nan 8.230 nan 0.000 0.417 453 R N 3.102 123.560 120.500 -0.070 0.000 2.686 453 R HA 0.751 5.140 4.340 0.082 0.000 0.283 453 R C -1.209 175.143 176.300 0.086 0.000 0.978 453 R CA -0.333 55.788 56.100 0.036 0.000 0.897 453 R CB 2.006 32.368 30.300 0.104 0.000 1.192 453 R HN 0.734 nan 8.270 nan 0.000 0.457 454 T N 0.504 115.150 114.554 0.155 0.000 2.716 454 T HA 0.620 5.019 4.350 0.082 0.000 0.286 454 T C -1.048 173.815 174.700 0.272 0.000 1.052 454 T CA -0.282 61.931 62.100 0.189 0.000 1.024 454 T CB 1.602 70.568 68.868 0.164 0.000 1.349 454 T HN 0.779 nan 8.240 nan 0.000 0.525 455 T N -0.690 114.028 114.554 0.274 0.000 2.864 455 T HA 0.790 5.189 4.350 0.082 0.000 0.289 455 T C -1.007 173.904 174.700 0.351 0.000 1.082 455 T CA -0.690 61.589 62.100 0.298 0.000 1.009 455 T CB 1.365 70.345 68.868 0.187 0.000 1.234 455 T HN 0.947 nan 8.240 nan 0.000 0.526 456 S N -0.113 115.818 115.700 0.384 0.000 2.677 456 S HA 0.590 5.109 4.470 0.082 0.000 0.283 456 S C -0.974 173.813 174.600 0.312 0.000 1.159 456 S CA -0.788 57.610 58.200 0.331 0.000 1.001 456 S CB 1.337 64.767 63.200 0.383 0.000 1.032 456 S HN 0.822 nan 8.310 nan 0.000 0.487 457 T N 3.282 117.975 114.554 0.233 0.000 2.963 457 T HA 0.544 4.943 4.350 0.082 0.000 0.343 457 T C 1.563 176.373 174.700 0.183 0.000 1.146 457 T CA -0.196 62.015 62.100 0.185 0.000 1.016 457 T CB 0.825 69.796 68.868 0.171 0.000 1.046 457 T HN 0.913 nan 8.240 nan 0.000 0.496 458 V N 2.262 122.259 119.914 0.138 0.000 2.358 458 V HA 0.037 4.206 4.120 0.082 0.000 0.246 458 V C 1.288 177.486 176.094 0.173 0.000 1.047 458 V CA 1.684 64.049 62.300 0.108 0.000 1.035 458 V CB -0.402 31.387 31.823 -0.057 0.000 0.658 458 V HN 0.835 nan 8.190 nan 0.000 0.452 459 Y N -0.485 119.758 120.300 -0.095 0.000 2.588 459 Y HA 0.183 4.782 4.550 0.082 0.000 0.100 459 Y C 0.674 176.424 175.900 -0.251 0.000 0.966 459 Y CA -0.023 58.038 58.100 -0.065 0.000 1.835 459 Y CB -0.031 38.337 38.460 -0.154 0.000 1.158 459 Y HN 0.410 nan 8.280 nan 0.000 0.196 463 Y N 1.174 121.411 120.300 -0.106 0.000 2.308 463 Y HA 0.564 5.163 4.550 0.081 0.000 0.329 463 Y C 0.511 176.166 175.900 -0.409 0.000 1.111 463 Y CA -0.521 57.366 58.100 -0.356 0.000 1.179 463 Y CB 1.037 39.186 38.460 -0.518 0.000 1.201 463 Y HN 0.268 nan 8.280 nan 0.000 0.483 464 I N 3.238 123.634 120.570 -0.289 0.000 2.355 464 I HA 0.206 4.425 4.170 0.082 0.000 0.288 464 I C -1.255 174.716 176.117 -0.243 0.000 0.999 464 I CA -0.552 60.663 61.300 -0.142 0.000 1.163 464 I CB 0.802 38.786 38.000 -0.027 0.000 1.316 464 I HN 0.529 nan 8.210 nan 0.000 0.454 465 W N 5.446 126.783 121.300 0.062 0.000 2.314 465 W HA 0.419 5.128 4.660 0.082 0.000 0.310 465 W C -0.539 175.872 176.519 -0.179 0.000 1.075 465 W CA -0.498 56.798 57.345 -0.082 0.000 1.253 465 W CB 1.072 30.464 29.460 -0.114 0.000 1.238 465 W HN 0.304 nan 8.180 nan 0.000 0.440 466 D N 2.449 122.782 120.400 -0.112 0.000 2.350 466 D HA 0.467 5.156 4.640 0.082 0.000 0.245 466 D C -1.154 174.778 176.300 -0.614 0.000 1.036 466 D CA -0.638 53.215 54.000 -0.245 0.000 0.848 466 D CB 1.653 42.372 40.800 -0.135 0.000 1.307 466 D HN 0.073 nan 8.370 nan 0.000 0.469 467 F N 1.087 120.889 119.950 -0.247 0.000 2.493 467 F HA 0.518 5.094 4.527 0.081 0.000 0.329 467 F C 0.059 175.448 175.800 -0.685 0.000 1.126 467 F CA -0.836 56.862 58.000 -0.503 0.000 0.937 467 F CB 1.525 40.254 39.000 -0.453 0.000 1.146 467 F HN 0.004 nan 8.300 nan 0.000 0.442 468 I N 3.861 123.987 120.570 -0.740 0.000 2.498 468 I HA 0.408 4.627 4.170 0.082 0.000 0.290 468 I C -1.309 174.273 176.117 -0.891 0.000 1.032 468 I CA -0.649 60.263 61.300 -0.647 0.000 1.073 468 I CB 1.825 39.566 38.000 -0.433 0.000 1.251 468 I HN 0.356 nan 8.210 nan 0.000 0.426 469 F N 5.366 125.025 119.950 -0.486 0.000 2.460 469 F HA 0.486 5.061 4.527 0.081 0.000 0.341 469 F C -0.464 175.309 175.800 -0.045 0.000 1.130 469 F CA -0.704 56.995 58.000 -0.502 0.000 0.962 469 F CB 0.927 39.270 39.000 -1.095 0.000 1.171 469 F HN 0.214 nan 8.300 nan 0.000 0.436 470 Y N 3.191 123.719 120.300 0.380 0.000 2.335 470 Y HA 0.331 4.930 4.550 0.082 0.000 0.323 470 Y C -1.514 174.808 175.900 0.704 0.000 1.224 470 Y CA -2.268 56.093 58.100 0.435 0.000 1.241 470 Y CB 0.579 39.193 38.460 0.257 0.000 1.235 470 Y HN 0.363 nan 8.280 nan 0.000 0.492 471 P HA -0.117 nan 4.420 nan 0.000 0.228 471 P C 0.215 177.722 177.300 0.344 0.000 1.151 471 P CA 1.302 64.675 63.100 0.456 0.000 0.770 471 P CB 0.155 32.002 31.700 0.245 0.000 0.786 472 N N -1.060 117.787 118.700 0.246 0.000 2.295 472 N HA 0.137 4.926 4.740 0.082 0.000 0.221 472 N C 1.070 176.391 175.510 -0.315 0.000 1.129 472 N CA 0.198 53.220 53.050 -0.045 0.000 0.836 472 N CB -0.874 37.602 38.487 -0.018 0.000 1.040 472 N HN 0.096 nan 8.380 nan 0.000 0.494 473 G N -0.840 107.718 108.800 -0.404 0.000 2.179 473 G HA2 -0.266 3.743 3.960 0.082 0.000 0.260 473 G HA3 -0.266 3.743 3.960 0.082 0.000 0.260 473 G C -0.339 174.716 174.900 0.258 0.000 0.977 473 G CA 0.316 44.952 45.100 -0.773 0.000 0.641 473 G HN 0.317 nan 8.290 nan 0.000 0.533 474 V N 2.167 122.318 119.914 0.394 0.000 2.461 474 V HA 0.672 4.841 4.120 0.082 0.000 0.275 474 V C 0.695 177.092 176.094 0.505 0.000 1.047 474 V CA 0.511 63.009 62.300 0.329 0.000 0.955 474 V CB 1.284 33.076 31.823 -0.050 0.000 0.988 474 V HN 0.617 nan 8.190 nan 0.000 0.471 475 M N 3.482 123.267 119.600 0.307 0.000 2.598 475 M HA 0.819 5.348 4.480 0.082 0.000 0.317 475 M C -0.776 175.416 176.300 -0.179 0.000 1.179 475 M CA -0.416 54.824 55.300 -0.100 0.000 0.936 475 M CB 2.399 34.725 32.600 -0.457 0.000 1.713 475 M HN 0.595 nan 8.290 nan 0.000 0.460 476 E N 1.661 121.652 120.200 -0.349 0.000 2.292 476 E HA 0.749 5.148 4.350 0.082 0.000 0.272 476 E C -1.942 174.325 176.600 -0.554 0.000 0.881 476 E CA -0.933 55.243 56.400 -0.374 0.000 0.754 476 E CB 2.357 31.968 29.700 -0.149 0.000 1.201 476 E HN 0.955 nan 8.360 nan 0.000 0.425 477 A N 4.115 126.417 122.820 -0.864 0.000 2.312 477 A HA 0.662 5.031 4.320 0.082 0.000 0.326 477 A C -0.807 176.390 177.584 -0.645 0.000 1.172 477 A CA -0.536 50.967 52.037 -0.889 0.000 0.821 477 A CB 1.133 19.280 19.000 -1.421 0.000 1.166 477 A HN 0.542 nan 8.150 nan 0.000 0.493 478 K N 1.654 121.778 120.400 -0.459 0.000 2.525 478 K HA 0.483 4.852 4.320 0.082 0.000 0.254 478 K C -1.660 174.798 176.600 -0.237 0.000 0.934 478 K CA -0.593 55.499 56.287 -0.326 0.000 0.802 478 K CB 1.753 34.032 32.500 -0.369 0.000 1.295 478 K HN 0.745 nan 8.250 nan 0.000 0.433 479 M N 4.622 124.081 119.600 -0.235 0.000 2.311 479 M HA 0.360 4.890 4.480 0.082 0.000 0.325 479 M C -1.613 174.414 176.300 -0.455 0.000 1.061 479 M CA -0.328 54.760 55.300 -0.353 0.000 0.957 479 M CB 1.172 33.609 32.600 -0.272 0.000 1.646 479 M HN 0.752 nan 8.290 nan 0.000 0.434 480 H N 2.803 121.723 119.070 -0.251 0.000 2.495 480 H HA 0.686 5.291 4.556 0.082 0.000 0.348 480 H C -0.812 174.374 175.328 -0.237 0.000 1.113 480 H CA -0.847 55.082 56.048 -0.198 0.000 1.195 480 H CB 1.672 31.335 29.762 -0.166 0.000 1.521 480 H HN 0.793 nan 8.280 nan 0.000 0.509 481 A N 2.359 125.119 122.820 -0.100 0.000 2.292 481 A HA 0.545 4.914 4.320 0.082 0.000 0.319 481 A C 0.282 177.782 177.584 -0.141 0.000 1.206 481 A CA -0.380 51.539 52.037 -0.197 0.000 0.835 481 A CB 1.501 20.360 19.000 -0.233 0.000 1.164 481 A HN 0.722 nan 8.150 nan 0.000 0.505 482 T N 0.670 115.132 114.554 -0.153 0.000 2.598 482 T HA 0.751 5.150 4.350 0.082 0.000 0.289 482 T C 0.508 175.130 174.700 -0.129 0.000 1.056 482 T CA 1.149 63.178 62.100 -0.119 0.000 1.088 482 T CB 0.531 69.339 68.868 -0.100 0.000 1.519 482 T HN 2.696 nan 8.240 nan 0.000 0.488 483 G N 0.108 108.826 108.800 -0.135 0.000 2.593 483 G HA2 -0.144 3.865 3.960 0.082 0.000 0.237 483 G HA3 -0.144 3.865 3.960 0.082 0.000 0.237 483 G C -1.262 173.491 174.900 -0.245 0.000 1.312 483 G CA 0.090 45.087 45.100 -0.171 0.000 0.896 483 G HN 0.853 nan 8.290 nan 0.000 0.574 484 Y N 0.112 120.287 120.300 -0.208 0.000 2.323 484 Y HA 0.474 5.074 4.550 0.082 0.000 0.331 484 Y C 1.312 177.119 175.900 -0.155 0.000 1.092 484 Y CA -0.077 57.903 58.100 -0.199 0.000 1.150 484 Y CB 1.524 39.767 38.460 -0.362 0.000 1.200 484 Y HN 0.775 nan 8.280 nan 0.000 0.472 485 V N -0.061 119.930 119.914 0.128 0.000 3.051 485 V HA 0.122 4.291 4.120 0.082 0.000 0.306 485 V C -0.106 176.070 176.094 0.135 0.000 1.083 485 V CA -0.728 61.658 62.300 0.143 0.000 1.104 485 V CB 0.553 32.469 31.823 0.154 0.000 1.027 485 V HN 0.809 nan 8.190 nan 0.000 0.483 486 H N 2.557 121.629 119.070 0.003 0.000 2.800 486 H HA 0.693 5.298 4.556 0.082 0.000 0.291 486 H C 0.056 175.370 175.328 -0.024 0.000 1.076 486 H CA 0.706 56.721 56.048 -0.054 0.000 1.452 486 H CB 0.339 29.932 29.762 -0.280 0.000 1.461 486 H HN 1.249 nan 8.280 nan 0.000 0.488 487 A N 3.988 126.666 122.820 -0.236 0.000 2.515 487 A HA 0.709 5.078 4.320 0.082 0.000 0.296 487 A C -0.445 177.062 177.584 -0.128 0.000 1.094 487 A CA -0.161 51.810 52.037 -0.109 0.000 0.718 487 A CB 1.276 20.308 19.000 0.054 0.000 1.307 487 A HN 0.811 nan 8.150 nan 0.000 0.408 488 T N -2.042 112.503 114.554 -0.015 0.000 2.804 488 T HA 0.666 5.065 4.350 0.082 0.000 0.290 488 T C -0.540 174.294 174.700 0.224 0.000 1.099 488 T CA -0.552 61.574 62.100 0.044 0.000 1.011 488 T CB 0.748 69.558 68.868 -0.097 0.000 1.291 488 T HN 0.913 nan 8.240 nan 0.000 0.523 489 F N 1.990 122.018 119.950 0.129 0.000 2.495 489 F HA 0.408 4.984 4.527 0.082 0.000 0.365 489 F C 0.100 176.108 175.800 0.348 0.000 1.090 489 F CA -1.302 56.841 58.000 0.237 0.000 1.235 489 F CB 0.254 39.400 39.000 0.243 0.000 1.119 489 F HN 0.686 nan 8.300 nan 0.000 0.562 490 Y N 6.251 126.283 120.300 -0.446 0.000 2.544 490 Y HA 0.333 4.932 4.550 0.082 0.000 0.330 490 Y C 0.149 175.883 175.900 -0.277 0.000 1.136 490 Y CA 0.339 58.250 58.100 -0.314 0.000 1.417 490 Y CB 0.167 38.423 38.460 -0.341 0.000 1.229 490 Y HN 0.736 nan 8.280 nan 0.000 0.532 491 T N 3.426 117.442 114.554 -0.896 0.000 2.896 491 T HA 0.396 4.795 4.350 0.082 0.000 0.297 491 T C -2.320 171.694 174.700 -1.145 0.000 1.108 491 T CA -2.212 59.334 62.100 -0.923 0.000 1.004 491 T CB 2.005 70.787 68.868 -0.143 0.000 1.159 491 T HN 0.287 nan 8.240 nan 0.000 0.499 492 P HA -0.093 nan 4.420 nan 0.000 0.217 492 P C 1.115 178.284 177.300 -0.218 0.000 1.151 492 P CA 1.176 64.101 63.100 -0.292 0.000 0.849 492 P CB 0.066 31.706 31.700 -0.101 0.000 0.787 493 E N -0.926 119.166 120.200 -0.179 0.000 2.204 493 E HA -0.087 4.312 4.350 0.082 0.000 0.195 493 E C 2.206 178.717 176.600 -0.149 0.000 0.990 493 E CA 1.345 57.702 56.400 -0.071 0.000 0.821 493 E CB -1.320 28.421 29.700 0.068 0.000 0.750 493 E HN 0.238 nan 8.360 nan 0.000 0.477 494 G N 0.349 108.795 108.800 -0.590 0.000 2.470 494 G HA2 -0.216 3.793 3.960 0.082 0.000 0.220 494 G HA3 -0.216 3.793 3.960 0.082 0.000 0.220 494 G C 1.326 176.063 174.900 -0.273 0.000 1.121 494 G CA 0.342 44.871 45.100 -0.952 0.000 0.766 494 G HN 0.221 nan 8.290 nan 0.000 0.553 495 L N -0.370 120.749 121.223 -0.173 0.000 2.353 495 L HA 0.013 4.402 4.340 0.082 0.000 0.220 495 L C 2.865 179.678 176.870 -0.095 0.000 1.133 495 L CA 0.475 55.273 54.840 -0.069 0.000 0.798 495 L CB -0.220 41.826 42.059 -0.022 0.000 0.922 495 L HN 0.188 nan 8.230 nan 0.000 0.445 496 R N -0.939 119.467 120.500 -0.157 0.000 2.276 496 R HA -0.010 4.379 4.340 0.082 0.000 0.203 496 R C 0.673 176.638 176.300 -0.559 0.000 1.017 496 R CA 0.609 56.503 56.100 -0.343 0.000 1.010 496 R CB 0.061 30.106 30.300 -0.426 0.000 0.900 496 R HN 0.519 nan 8.270 nan 0.000 0.469 497 H N -1.226 117.840 119.070 -0.008 0.000 2.750 497 H HA 0.370 4.975 4.556 0.082 0.000 0.252 497 H C 0.561 175.920 175.328 0.051 0.000 1.176 497 H CA 0.343 56.412 56.048 0.035 0.000 0.987 497 H CB 1.382 31.191 29.762 0.079 0.000 1.810 497 H HN 0.286 nan 8.280 nan 0.000 0.630 498 G N 0.210 109.064 108.800 0.091 0.000 2.333 498 G HA2 0.147 4.156 3.960 0.082 0.000 0.288 498 G HA3 0.147 4.156 3.960 0.082 0.000 0.288 498 G C -1.436 173.493 174.900 0.049 0.000 1.286 498 G CA -0.678 44.474 45.100 0.087 0.000 0.865 498 G HN 0.025 nan 8.290 nan 0.000 0.506 499 T N 0.327 114.916 114.554 0.059 0.000 2.861 499 T HA 0.578 4.978 4.350 0.082 0.000 0.287 499 T C 0.016 174.737 174.700 0.034 0.000 1.003 499 T CA -0.618 61.508 62.100 0.042 0.000 0.977 499 T CB 1.989 70.889 68.868 0.054 0.000 0.996 499 T HN 0.653 nan 8.240 nan 0.000 0.448 500 R N 2.852 123.353 120.500 0.003 0.000 2.370 500 R HA 0.265 4.654 4.340 0.082 0.000 0.309 500 R C 0.372 176.614 176.300 -0.097 0.000 1.059 500 R CA -0.014 56.043 56.100 -0.072 0.000 0.981 500 R CB 0.046 30.209 30.300 -0.227 0.000 0.972 500 R HN 0.648 nan 8.270 nan 0.000 0.437 501 L N 2.952 124.123 121.223 -0.087 0.000 2.672 501 L HA 0.279 4.668 4.340 0.082 0.000 0.236 501 L C 0.918 177.708 176.870 -0.134 0.000 1.092 501 L CA -0.131 54.663 54.840 -0.077 0.000 0.887 501 L CB 0.102 42.153 42.059 -0.013 0.000 1.168 501 L HN 0.656 nan 8.230 nan 0.000 0.502 502 H N -1.493 117.373 119.070 -0.340 0.000 2.905 502 H HA 0.136 4.742 4.556 0.082 0.000 0.280 502 H C 0.231 175.270 175.328 -0.482 0.000 1.445 502 H CA -0.037 55.707 56.048 -0.507 0.000 1.165 502 H CB 1.698 30.918 29.762 -0.904 0.000 1.857 502 H HN -0.284 nan 8.280 nan 0.000 0.567 503 T N 0.051 114.261 114.554 -0.574 0.000 2.665 503 T HA -0.156 4.243 4.350 0.082 0.000 0.268 503 T C 0.868 175.202 174.700 -0.609 0.000 1.035 503 T CA 1.538 63.269 62.100 -0.617 0.000 1.151 503 T CB -0.263 68.218 68.868 -0.644 0.000 0.862 503 T HN 0.435 nan 8.240 nan 0.000 0.438 504 H N -0.604 118.406 119.070 -0.100 0.000 2.512 504 H HA 0.502 5.108 4.556 0.082 0.000 0.276 504 H C -0.606 174.663 175.328 -0.099 0.000 1.126 504 H CA -0.456 55.513 56.048 -0.132 0.000 1.060 504 H CB 0.130 29.931 29.762 0.064 0.000 1.646 504 H HN 0.169 nan 8.280 nan 0.000 0.571 505 L N 1.622 122.851 121.223 0.010 0.000 2.381 505 L HA 0.423 4.812 4.340 0.082 0.000 0.274 505 L C -1.144 175.769 176.870 0.072 0.000 0.988 505 L CA -0.567 54.312 54.840 0.065 0.000 0.824 505 L CB 1.717 43.796 42.059 0.034 0.000 1.263 505 L HN -0.055 nan 8.230 nan 0.000 0.410 506 I N 4.044 124.694 120.570 0.134 0.000 2.378 506 I HA 0.398 4.617 4.170 0.082 0.000 0.291 506 I C 0.609 176.792 176.117 0.109 0.000 0.992 506 I CA -0.379 61.002 61.300 0.135 0.000 1.154 506 I CB 1.653 39.763 38.000 0.182 0.000 1.315 506 I HN 0.774 nan 8.210 nan 0.000 0.448 507 G N 5.759 114.612 108.800 0.088 0.000 2.391 507 G HA2 0.211 4.220 3.960 0.082 0.000 0.305 507 G HA3 0.211 4.220 3.960 0.082 0.000 0.305 507 G C 0.010 174.987 174.900 0.128 0.000 1.072 507 G CA -0.422 44.733 45.100 0.091 0.000 1.016 507 G HN 0.617 nan 8.290 nan 0.000 0.418 508 N N 1.126 119.926 118.700 0.167 0.000 2.492 508 N HA 0.074 4.863 4.740 0.082 0.000 0.262 508 N C 0.506 176.220 175.510 0.341 0.000 1.202 508 N CA -0.272 52.932 53.050 0.256 0.000 0.926 508 N CB 1.544 40.206 38.487 0.292 0.000 1.078 508 N HN 0.569 nan 8.380 nan 0.000 0.454 509 I N 3.257 123.971 120.570 0.240 0.000 2.692 509 I HA 0.030 4.249 4.170 0.082 0.000 0.284 509 I C -0.019 176.170 176.117 0.121 0.000 1.159 509 I CA 0.211 61.591 61.300 0.132 0.000 1.423 509 I CB 0.089 38.131 38.000 0.069 0.000 1.380 509 I HN 0.697 nan 8.210 nan 0.000 0.580 510 H N 2.791 121.719 119.070 -0.237 0.000 3.003 510 H HA 0.389 4.994 4.556 0.082 0.000 0.327 510 H C -1.686 173.414 175.328 -0.379 0.000 1.353 510 H CA -1.020 54.724 56.048 -0.506 0.000 1.142 510 H CB 0.951 29.946 29.762 -1.279 0.000 1.864 510 H HN 0.390 nan 8.280 nan 0.000 0.529 511 T N 2.009 116.336 114.554 -0.379 0.000 2.807 511 T HA 0.267 4.667 4.350 0.082 0.000 0.279 511 T C -0.399 174.087 174.700 -0.356 0.000 0.993 511 T CA -0.671 61.224 62.100 -0.343 0.000 0.970 511 T CB 0.774 69.515 68.868 -0.213 0.000 0.950 511 T HN 0.425 nan 8.240 nan 0.000 0.441 512 H N 3.155 122.003 119.070 -0.369 0.000 2.562 512 H HA 0.481 5.086 4.556 0.082 0.000 0.314 512 H C -0.483 174.772 175.328 -0.121 0.000 1.079 512 H CA -0.218 55.666 56.048 -0.273 0.000 1.349 512 H CB 1.038 30.427 29.762 -0.622 0.000 1.432 512 H HN 0.337 nan 8.280 nan 0.000 0.479 513 L N 3.324 124.668 121.223 0.202 0.000 2.408 513 L HA 0.446 4.835 4.340 0.082 0.000 0.268 513 L C -0.600 176.546 176.870 0.460 0.000 0.986 513 L CA -0.923 54.112 54.840 0.324 0.000 0.820 513 L CB 2.444 44.688 42.059 0.308 0.000 1.303 513 L HN 0.241 nan 8.230 nan 0.000 0.411 514 V N 0.978 121.150 119.914 0.430 0.000 2.656 514 V HA 0.426 4.595 4.120 0.082 0.000 0.307 514 V C -0.813 175.365 176.094 0.140 0.000 1.051 514 V CA -0.599 61.854 62.300 0.256 0.000 0.893 514 V CB 2.121 34.112 31.823 0.280 0.000 0.999 514 V HN 0.680 nan 8.190 nan 0.000 0.426 515 H N 3.069 121.864 119.070 -0.458 0.000 2.466 515 H HA 0.564 5.168 4.556 0.082 0.000 0.338 515 H C -1.771 173.323 175.328 -0.389 0.000 1.091 515 H CA -0.420 55.300 56.048 -0.548 0.000 1.207 515 H CB 1.562 30.491 29.762 -1.388 0.000 1.466 515 H HN 0.630 nan 8.280 nan 0.000 0.493 516 Y N 2.504 122.586 120.300 -0.363 0.000 2.429 516 Y HA 0.266 4.865 4.550 0.083 0.000 0.342 516 Y C 0.254 175.908 175.900 -0.411 0.000 1.004 516 Y CA -0.835 57.124 58.100 -0.235 0.000 1.075 516 Y CB 1.573 40.031 38.460 -0.003 0.000 1.214 516 Y HN 0.462 nan 8.280 nan 0.000 0.455 517 R N 2.190 122.595 120.500 -0.159 0.000 2.294 517 R HA 0.657 5.046 4.340 0.082 0.000 0.319 517 R C -1.907 174.178 176.300 -0.358 0.000 0.984 517 R CA -0.443 55.376 56.100 -0.469 0.000 0.861 517 R CB 0.719 30.728 30.300 -0.484 0.000 1.104 517 R HN 0.571 nan 8.270 nan 0.000 0.451 518 V N 4.637 124.253 119.914 -0.497 0.000 2.320 518 V HA 0.093 4.262 4.120 0.082 0.000 0.268 518 V C -0.558 175.291 176.094 -0.409 0.000 1.021 518 V CA -0.775 61.298 62.300 -0.378 0.000 0.813 518 V CB 0.950 32.508 31.823 -0.441 0.000 1.054 518 V HN 0.726 nan 8.190 nan 0.000 0.444 519 D N 4.493 124.720 120.400 -0.288 0.000 2.508 519 D HA 0.238 4.927 4.640 0.082 0.000 0.224 519 D C 0.098 176.304 176.300 -0.157 0.000 1.171 519 D CA 0.031 53.921 54.000 -0.183 0.000 1.006 519 D CB 0.272 41.068 40.800 -0.006 0.000 1.073 519 D HN 0.419 nan 8.370 nan 0.000 0.513 520 L N 2.489 123.556 121.223 -0.259 0.000 2.380 520 L HA 0.219 4.608 4.340 0.082 0.000 0.273 520 L C 0.167 176.969 176.870 -0.113 0.000 1.138 520 L CA -0.027 54.673 54.840 -0.234 0.000 0.832 520 L CB 0.739 42.569 42.059 -0.382 0.000 1.124 520 L HN 0.152 nan 8.230 nan 0.000 0.454 521 D N 2.510 122.863 120.400 -0.077 0.000 2.441 521 D HA 0.187 4.877 4.640 0.082 0.000 0.287 521 D C -0.507 175.789 176.300 -0.007 0.000 1.198 521 D CA -0.205 53.779 54.000 -0.027 0.000 0.894 521 D CB 1.369 42.156 40.800 -0.022 0.000 1.070 521 D HN 0.014 nan 8.370 nan 0.000 0.499 522 V N 1.557 121.505 119.914 0.058 0.000 2.425 522 V HA 0.247 4.416 4.120 0.082 0.000 0.276 522 V C 1.365 177.595 176.094 0.227 0.000 1.017 522 V CA 0.113 62.508 62.300 0.158 0.000 1.062 522 V CB 0.163 32.154 31.823 0.281 0.000 0.997 522 V HN 0.740 nan 8.190 nan 0.000 0.476 523 A N 3.624 126.617 122.820 0.287 0.000 2.790 523 A HA 0.054 4.423 4.320 0.082 0.000 0.277 523 A C 1.107 178.738 177.584 0.079 0.000 1.435 523 A CA 1.333 53.491 52.037 0.201 0.000 0.877 523 A CB -1.500 17.557 19.000 0.095 0.000 1.007 523 A HN 2.609 nan 8.150 nan 0.000 0.613 524 G N -4.144 104.688 108.800 0.053 0.000 2.339 524 G HA2 0.432 4.441 3.960 0.082 0.000 0.381 524 G HA3 0.432 4.441 3.960 0.082 0.000 0.381 524 G C 0.351 175.258 174.900 0.013 0.000 1.400 524 G CA 0.762 45.877 45.100 0.025 0.000 1.002 524 G HN 1.523 nan 8.290 nan 0.000 0.633 525 T N -0.697 113.850 114.554 -0.012 0.000 2.857 525 T HA 0.074 4.473 4.350 0.082 0.000 0.266 525 T C 0.991 175.686 174.700 -0.008 0.000 1.048 525 T CA 1.927 64.002 62.100 -0.042 0.000 1.139 525 T CB -0.414 68.405 68.868 -0.082 0.000 0.874 525 T HN 0.407 nan 8.240 nan 0.000 0.455 526 K N 2.490 122.898 120.400 0.014 0.000 2.234 526 K HA 0.406 4.775 4.320 0.082 0.000 0.277 526 K C -0.837 175.801 176.600 0.064 0.000 1.038 526 K CA -0.208 56.099 56.287 0.033 0.000 0.888 526 K CB 1.128 33.642 32.500 0.022 0.000 1.091 526 K HN 0.428 nan 8.250 nan 0.000 0.467 527 N N 0.106 118.862 118.700 0.093 0.000 2.509 527 N HA 0.380 5.169 4.740 0.082 0.000 0.280 527 N C -1.234 174.360 175.510 0.140 0.000 1.306 527 N CA -0.743 52.391 53.050 0.139 0.000 0.782 527 N CB 2.026 40.639 38.487 0.210 0.000 1.493 527 N HN 0.269 nan 8.380 nan 0.000 0.498 528 S N -0.014 115.777 115.700 0.152 0.000 2.715 528 S HA 0.573 5.092 4.470 0.082 0.000 0.307 528 S C -1.653 173.053 174.600 0.176 0.000 1.119 528 S CA -0.558 57.728 58.200 0.143 0.000 0.937 528 S CB 1.265 64.515 63.200 0.083 0.000 1.150 528 S HN 0.434 nan 8.310 nan 0.000 0.521 529 F N 2.159 122.084 119.950 -0.041 0.000 2.520 529 F HA 0.660 5.236 4.527 0.082 0.000 0.322 529 F C -0.455 175.298 175.800 -0.078 0.000 1.103 529 F CA -0.323 57.526 58.000 -0.251 0.000 0.926 529 F CB 1.304 40.085 39.000 -0.364 0.000 1.154 529 F HN 0.546 nan 8.300 nan 0.000 0.453 530 Q N 3.847 123.077 119.800 -0.951 0.000 2.377 530 Q HA 0.539 4.929 4.340 0.082 0.000 0.279 530 Q C -1.814 173.754 176.000 -0.719 0.000 1.049 530 Q CA -0.731 54.761 55.803 -0.519 0.000 0.825 530 Q CB 2.490 31.108 28.738 -0.200 0.000 1.401 530 Q HN 0.848 nan 8.270 nan 0.000 0.404 531 T N 0.500 114.888 114.554 -0.276 0.000 2.908 531 T HA 0.751 5.151 4.350 0.082 0.000 0.290 531 T C -0.490 174.176 174.700 -0.056 0.000 1.034 531 T CA -0.744 61.251 62.100 -0.175 0.000 1.010 531 T CB 1.037 69.903 68.868 -0.004 0.000 1.068 531 T HN 0.501 nan 8.240 nan 0.000 0.481 532 L N 1.109 122.306 121.223 -0.044 0.000 2.362 532 L HA 0.847 5.236 4.340 0.082 0.000 0.271 532 L C 0.268 177.137 176.870 -0.002 0.000 1.002 532 L CA -0.963 53.841 54.840 -0.060 0.000 0.818 532 L CB 1.555 43.494 42.059 -0.200 0.000 1.298 532 L HN 1.032 nan 8.230 nan 0.000 0.420 533 Q N 2.747 122.543 119.800 -0.007 0.000 2.484 533 Q HA 0.694 5.083 4.340 0.082 0.000 0.285 533 Q C -1.096 174.903 176.000 -0.002 0.000 1.097 533 Q CA -0.804 55.013 55.803 0.023 0.000 0.802 533 Q CB 2.842 31.607 28.738 0.045 0.000 1.444 533 Q HN 0.637 nan 8.270 nan 0.000 0.429 534 M N 1.890 121.499 119.600 0.016 0.000 2.188 534 M HA 0.538 5.067 4.480 0.082 0.000 0.357 534 M C -1.140 175.171 176.300 0.018 0.000 1.204 534 M CA -0.355 54.951 55.300 0.010 0.000 1.095 534 M CB 1.033 33.645 32.600 0.019 0.000 1.604 534 M HN 0.614 nan 8.290 nan 0.000 0.464 535 K N 5.967 126.375 120.400 0.012 0.000 2.397 535 K HA 0.618 4.987 4.320 0.082 0.000 0.253 535 K C -1.188 175.420 176.600 0.013 0.000 0.932 535 K CA -0.598 55.698 56.287 0.015 0.000 0.795 535 K CB 1.713 34.221 32.500 0.013 0.000 1.159 535 K HN 0.880 nan 8.250 nan 0.000 0.424 536 L N 3.628 124.860 121.223 0.015 0.000 2.417 536 L HA 0.446 4.835 4.340 0.082 0.000 0.268 536 L C 0.907 177.784 176.870 0.011 0.000 1.158 536 L CA -0.161 54.687 54.840 0.014 0.000 0.819 536 L CB 0.887 42.955 42.059 0.015 0.000 1.112 536 L HN 0.816 nan 8.230 nan 0.000 0.458 537 E N 1.640 121.846 120.200 0.010 0.000 2.263 537 E HA 0.359 4.758 4.350 0.082 0.000 0.264 537 E C -1.092 175.512 176.600 0.006 0.000 0.923 537 E CA -0.985 55.420 56.400 0.008 0.000 0.802 537 E CB 1.994 31.699 29.700 0.008 0.000 1.228 537 E HN 0.366 nan 8.360 nan 0.000 0.417 538 N N 2.447 121.149 118.700 0.002 0.000 2.573 538 N HA 0.281 5.070 4.740 0.082 0.000 0.262 538 N C -1.098 174.408 175.510 -0.007 0.000 1.029 538 N CA -0.662 52.386 53.050 -0.002 0.000 0.882 538 N CB 0.608 39.094 38.487 -0.003 0.000 1.204 538 N HN 0.709 nan 8.380 nan 0.000 0.519 539 I N -1.145 119.419 120.570 -0.010 0.000 3.023 539 I HA 0.628 4.848 4.170 0.082 0.000 0.312 539 I C -0.022 176.076 176.117 -0.031 0.000 1.056 539 I CA -0.797 60.494 61.300 -0.015 0.000 1.033 539 I CB 1.621 39.617 38.000 -0.007 0.000 1.233 539 I HN 0.046 nan 8.210 nan 0.000 0.462 540 T N 2.797 117.329 114.554 -0.035 0.000 2.888 540 T HA 0.013 4.412 4.350 0.082 0.000 0.301 540 T C 0.363 175.016 174.700 -0.079 0.000 1.001 540 T CA 0.021 62.088 62.100 -0.056 0.000 1.147 540 T CB -0.345 68.495 68.868 -0.047 0.000 0.931 540 T HN 0.586 nan 8.240 nan 0.000 0.541 541 N N 5.082 123.701 118.700 -0.136 0.000 2.429 541 N HA 0.005 4.794 4.740 0.082 0.000 0.271 541 N C -1.294 174.073 175.510 -0.239 0.000 1.272 541 N CA -1.946 50.947 53.050 -0.262 0.000 0.921 541 N CB 1.002 39.218 38.487 -0.451 0.000 1.128 541 N HN 0.286 nan 8.380 nan 0.000 0.481 542 P HA -0.043 nan 4.420 nan 0.000 0.234 542 P C 0.636 177.998 177.300 0.103 0.000 1.167 542 P CA 1.007 64.117 63.100 0.018 0.000 0.763 542 P CB -0.140 31.620 31.700 0.100 0.000 0.835 543 W N -1.990 119.325 121.300 0.024 0.000 2.870 543 W HA 0.524 5.233 4.660 0.082 0.000 0.358 543 W C -0.430 176.111 176.519 0.038 0.000 1.043 543 W CA -0.273 57.085 57.345 0.022 0.000 1.692 543 W CB -0.193 29.273 29.460 0.010 0.000 1.100 543 W HN -0.098 nan 8.180 nan 0.000 0.557 544 S N 2.343 117.862 115.700 -0.302 0.000 2.386 544 S HA 0.322 4.841 4.470 0.082 0.000 0.152 544 S C -1.733 172.807 174.600 -0.100 0.000 1.511 544 S CA -0.775 57.322 58.200 -0.171 0.000 1.246 544 S CB 0.677 63.644 63.200 -0.388 0.000 1.338 544 S HN -0.308 nan 8.310 nan 0.000 0.409 545 P HA -0.106 nan 4.420 nan 0.000 0.218 545 P C 0.956 178.188 177.300 -0.114 0.000 1.146 545 P CA 1.023 64.079 63.100 -0.073 0.000 0.813 545 P CB 0.027 31.703 31.700 -0.040 0.000 0.778 546 R N -2.020 118.380 120.500 -0.167 0.000 2.323 546 R HA 0.034 4.423 4.340 0.082 0.000 0.198 546 R C 0.370 176.335 176.300 -0.559 0.000 0.988 546 R CA 0.381 56.276 56.100 -0.341 0.000 1.041 546 R CB -0.461 29.596 30.300 -0.405 0.000 0.926 546 R HN 0.467 nan 8.270 nan 0.000 0.476 547 H N -0.785 118.196 119.070 -0.150 0.000 2.812 547 H HA 0.460 5.065 4.556 0.082 0.000 0.355 547 H C -0.190 175.039 175.328 -0.164 0.000 1.207 547 H CA -0.934 55.016 56.048 -0.163 0.000 1.217 547 H CB 1.066 30.692 29.762 -0.228 0.000 1.874 547 H HN -0.277 nan 8.280 nan 0.000 0.581 548 R N 0.553 121.052 120.500 -0.001 0.000 2.711 548 R HA 0.505 4.894 4.340 0.082 0.000 0.284 548 R C -1.267 175.002 176.300 -0.051 0.000 0.968 548 R CA -1.034 55.042 56.100 -0.039 0.000 0.924 548 R CB 2.081 32.367 30.300 -0.023 0.000 1.162 548 R HN 0.311 nan 8.270 nan 0.000 0.465 549 V N 2.465 122.350 119.914 -0.048 0.000 2.357 549 V HA 0.284 4.453 4.120 0.082 0.000 0.284 549 V C -0.221 175.870 176.094 -0.006 0.000 1.018 549 V CA -0.770 61.516 62.300 -0.023 0.000 0.841 549 V CB 1.832 33.648 31.823 -0.012 0.000 0.991 549 V HN 0.396 nan 8.190 nan 0.000 0.437 550 V N 6.970 126.885 119.914 0.003 0.000 2.311 550 V HA 0.550 4.720 4.120 0.082 0.000 0.275 550 V C -0.059 176.044 176.094 0.014 0.000 1.022 550 V CA -0.280 62.024 62.300 0.007 0.000 0.830 550 V CB 1.128 32.955 31.823 0.007 0.000 1.012 550 V HN 1.056 nan 8.190 nan 0.000 0.452 551 Q N 5.287 125.097 119.800 0.016 0.000 2.511 551 Q HA 0.667 5.056 4.340 0.082 0.000 0.289 551 Q C -3.148 172.862 176.000 0.018 0.000 1.021 551 Q CA -2.328 53.488 55.803 0.020 0.000 0.785 551 Q CB 2.649 31.403 28.738 0.026 0.000 1.472 551 Q HN 0.312 nan 8.270 nan 0.000 0.411 552 P HA 0.086 nan 4.420 nan 0.000 0.268 552 P C -0.849 176.458 177.300 0.011 0.000 1.205 552 P CA 0.298 63.407 63.100 0.014 0.000 0.771 552 P CB 0.818 32.526 31.700 0.013 0.000 0.858 553 T N 0.308 114.866 114.554 0.007 0.000 2.916 553 T HA 0.592 4.991 4.350 0.082 0.000 0.292 553 T C -0.851 173.847 174.700 -0.004 0.000 1.064 553 T CA -0.966 61.136 62.100 0.004 0.000 1.011 553 T CB 0.934 69.806 68.868 0.007 0.000 1.152 553 T HN 0.142 nan 8.240 nan 0.000 0.510 554 L N 1.578 122.797 121.223 -0.008 0.000 2.257 554 L HA 0.585 4.974 4.340 0.082 0.000 0.290 554 L C -0.054 176.808 176.870 -0.014 0.000 1.044 554 L CA -0.417 54.410 54.840 -0.022 0.000 0.810 554 L CB 0.521 42.566 42.059 -0.023 0.000 1.193 554 L HN 0.936 nan 8.230 nan 0.000 0.425 555 E N 3.670 123.859 120.200 -0.018 0.000 2.171 555 E HA 0.657 5.056 4.350 0.082 0.000 0.271 555 E C -1.185 175.404 176.600 -0.018 0.000 0.916 555 E CA -0.424 55.969 56.400 -0.011 0.000 0.774 555 E CB 1.302 31.001 29.700 -0.002 0.000 1.128 555 E HN 0.769 nan 8.360 nan 0.000 0.403 556 Q N 2.157 121.948 119.800 -0.016 0.000 2.316 556 Q HA 0.465 4.854 4.340 0.082 0.000 0.264 556 Q C -0.781 175.199 176.000 -0.034 0.000 0.987 556 Q CA -0.708 55.082 55.803 -0.022 0.000 0.852 556 Q CB 1.857 30.589 28.738 -0.009 0.000 1.287 556 Q HN 0.563 nan 8.270 nan 0.000 0.448 557 T N 3.036 117.566 114.554 -0.040 0.000 2.792 557 T HA 0.485 4.884 4.350 0.082 0.000 0.280 557 T C -0.559 174.061 174.700 -0.135 0.000 0.990 557 T CA -0.573 61.459 62.100 -0.113 0.000 0.960 557 T CB 1.193 69.982 68.868 -0.131 0.000 0.939 557 T HN 0.670 nan 8.240 nan 0.000 0.439 558 Q N 1.803 121.492 119.800 -0.186 0.000 2.221 558 Q HA 0.481 4.871 4.340 0.082 0.000 0.242 558 Q C -1.170 174.666 176.000 -0.272 0.000 0.940 558 Q CA -0.469 55.273 55.803 -0.101 0.000 0.896 558 Q CB 1.211 29.912 28.738 -0.062 0.000 1.226 558 Q HN 0.661 nan 8.270 nan 0.000 0.463 559 Y N -0.800 119.495 120.300 -0.009 0.000 2.373 559 Y HA 0.248 4.848 4.550 0.082 0.000 0.336 559 Y C 0.698 176.581 175.900 -0.028 0.000 0.979 559 Y CA -0.472 57.663 58.100 0.057 0.000 1.080 559 Y CB 2.171 40.772 38.460 0.235 0.000 1.190 559 Y HN 0.517 nan 8.280 nan 0.000 0.446 560 S N 1.328 117.010 115.700 -0.030 0.000 2.497 560 S HA 0.122 4.641 4.470 0.082 0.000 0.221 560 S C -0.689 173.530 174.600 -0.636 0.000 1.037 560 S CA 0.053 57.991 58.200 -0.436 0.000 0.920 560 S CB 0.267 63.046 63.200 -0.702 0.000 0.800 560 S HN 0.620 nan 8.310 nan 0.000 0.505 561 W N 1.521 122.890 121.300 0.114 0.000 2.785 561 W HA 0.485 5.194 4.660 0.082 0.000 0.333 561 W C 0.775 177.341 176.519 0.079 0.000 1.062 561 W CA -0.856 56.535 57.345 0.076 0.000 1.233 561 W CB 0.745 30.230 29.460 0.041 0.000 1.413 561 W HN -0.068 nan 8.180 nan 0.000 0.489 562 E N 0.671 121.041 120.200 0.283 0.000 2.086 562 E HA -0.364 4.035 4.350 0.082 0.000 0.205 562 E C 2.045 178.703 176.600 0.098 0.000 1.027 562 E CA 1.910 58.402 56.400 0.152 0.000 0.830 562 E CB 0.022 29.790 29.700 0.114 0.000 0.751 562 E HN 0.262 nan 8.360 nan 0.000 0.456 563 R N 1.322 121.887 120.500 0.108 0.000 2.127 563 R HA -0.170 4.219 4.340 0.082 0.000 0.238 563 R C 1.945 178.267 176.300 0.036 0.000 1.134 563 R CA 1.711 57.837 56.100 0.043 0.000 0.975 563 R CB -0.296 30.026 30.300 0.037 0.000 0.865 563 R HN 0.277 nan 8.270 nan 0.000 0.447 564 Q N -1.074 118.804 119.800 0.131 0.000 2.226 564 Q HA -0.004 4.385 4.340 0.082 0.000 0.204 564 Q C 1.220 177.268 176.000 0.079 0.000 0.975 564 Q CA 1.444 57.343 55.803 0.160 0.000 0.866 564 Q CB 0.021 28.942 28.738 0.306 0.000 0.915 564 Q HN 0.426 nan 8.270 nan 0.000 0.440 565 A N 0.155 122.979 122.820 0.006 0.000 2.460 565 A HA 0.471 4.840 4.320 0.082 0.000 0.258 565 A C 0.462 177.869 177.584 -0.295 0.000 1.300 565 A CA -0.060 51.838 52.037 -0.230 0.000 0.913 565 A CB 0.309 19.198 19.000 -0.184 0.000 1.031 565 A HN 0.186 nan 8.150 nan 0.000 0.512 566 A N 0.392 123.033 122.820 -0.299 0.000 2.444 566 A HA 0.648 5.017 4.320 0.082 0.000 0.332 566 A C -0.831 176.695 177.584 -0.097 0.000 1.430 566 A CA -0.370 51.532 52.037 -0.224 0.000 0.975 566 A CB -0.586 18.211 19.000 -0.338 0.000 1.147 566 A HN 0.263 nan 8.150 nan 0.000 0.524 567 F N 2.208 122.253 119.950 0.159 0.000 2.404 567 F HA 0.389 4.965 4.527 0.082 0.000 0.358 567 F C 1.128 177.049 175.800 0.201 0.000 1.120 567 F CA -0.012 58.090 58.000 0.170 0.000 1.144 567 F CB 1.051 40.105 39.000 0.089 0.000 1.133 567 F HN 0.523 nan 8.300 nan 0.000 0.495 568 R N 2.077 122.747 120.500 0.285 0.000 2.577 568 R HA 0.260 4.649 4.340 0.082 0.000 0.269 568 R C 0.657 176.976 176.300 0.033 0.000 1.084 568 R CA -0.604 55.543 56.100 0.078 0.000 1.163 568 R CB 0.488 30.835 30.300 0.079 0.000 1.100 568 R HN 0.533 nan 8.270 nan 0.000 0.547 569 F N 1.398 121.403 119.950 0.091 0.000 2.269 569 F HA -0.163 4.413 4.527 0.082 0.000 0.301 569 F C 2.649 178.498 175.800 0.082 0.000 1.082 569 F CA 1.893 59.944 58.000 0.084 0.000 1.360 569 F CB -0.595 38.428 39.000 0.038 0.000 1.041 569 F HN 0.665 nan 8.300 nan 0.000 0.512 570 K N 0.837 121.373 120.400 0.227 0.000 2.026 570 K HA -0.091 4.278 4.320 0.082 0.000 0.208 570 K C 1.372 178.066 176.600 0.156 0.000 1.048 570 K CA 1.087 57.469 56.287 0.159 0.000 0.929 570 K CB -0.950 31.621 32.500 0.118 0.000 0.713 570 K HN 0.236 nan 8.250 nan 0.000 0.439 571 R N 0.736 121.340 120.500 0.174 0.000 2.679 571 R HA 0.328 4.717 4.340 0.082 0.000 0.268 571 R C 0.175 176.600 176.300 0.210 0.000 1.044 571 R CA 0.547 56.766 56.100 0.200 0.000 1.105 571 R CB 0.373 30.826 30.300 0.255 0.000 0.989 571 R HN 0.455 nan 8.270 nan 0.000 0.447 572 K N 4.017 124.533 120.400 0.193 0.000 2.379 572 K HA 0.099 4.468 4.320 0.082 0.000 0.284 572 K C -0.471 176.235 176.600 0.176 0.000 1.044 572 K CA -0.296 56.088 56.287 0.161 0.000 0.974 572 K CB 0.480 33.060 32.500 0.132 0.000 0.962 572 K HN 0.405 nan 8.250 nan 0.000 0.474 573 L N 4.945 126.225 121.223 0.095 0.000 2.313 573 L HA 0.347 4.736 4.340 0.082 0.000 0.282 573 L C -2.083 174.767 176.870 -0.034 0.000 1.092 573 L CA -1.986 52.831 54.840 -0.038 0.000 0.831 573 L CB 0.970 42.981 42.059 -0.081 0.000 1.159 573 L HN 0.586 nan 8.230 nan 0.000 0.442 574 P HA 0.096 nan 4.420 nan 0.000 0.268 574 P C 0.047 177.334 177.300 -0.022 0.000 1.208 574 P CA -0.225 62.879 63.100 0.006 0.000 0.777 574 P CB 0.514 32.233 31.700 0.032 0.000 0.875 575 K N 0.639 121.065 120.400 0.044 0.000 2.217 575 K HA -0.027 4.343 4.320 0.082 0.000 0.202 575 K C 0.130 176.679 176.600 -0.086 0.000 1.051 575 K CA 1.309 57.611 56.287 0.024 0.000 0.952 575 K CB -0.193 32.385 32.500 0.130 0.000 0.736 575 K HN 0.500 nan 8.250 nan 0.000 0.453 576 Y N 0.637 120.863 120.300 -0.122 0.000 2.345 576 Y HA 0.325 4.924 4.550 0.082 0.000 0.331 576 Y C -0.202 175.565 175.900 -0.220 0.000 0.959 576 Y CA -0.706 57.272 58.100 -0.204 0.000 1.204 576 Y CB 1.026 39.304 38.460 -0.302 0.000 1.135 576 Y HN -0.218 nan 8.280 nan 0.000 0.477 577 L N 5.980 127.133 121.223 -0.117 0.000 2.283 577 L HA 0.503 4.892 4.340 0.082 0.000 0.281 577 L C -0.866 175.968 176.870 -0.060 0.000 1.033 577 L CA -0.237 54.559 54.840 -0.074 0.000 0.848 577 L CB 0.652 42.745 42.059 0.055 0.000 1.226 577 L HN 0.454 nan 8.230 nan 0.000 0.429 578 L N 3.366 124.414 121.223 -0.291 0.000 2.341 578 L HA 0.550 4.939 4.340 0.082 0.000 0.278 578 L C -0.928 175.776 176.870 -0.276 0.000 1.005 578 L CA -0.460 54.281 54.840 -0.166 0.000 0.818 578 L CB 1.838 43.788 42.059 -0.182 0.000 1.259 578 L HN 0.339 nan 8.230 nan 0.000 0.418 579 F N 0.928 120.995 119.950 0.195 0.000 2.388 579 F HA 0.447 5.024 4.527 0.082 0.000 0.358 579 F C 0.655 176.573 175.800 0.197 0.000 1.122 579 F CA -0.663 57.469 58.000 0.220 0.000 1.056 579 F CB 1.939 41.057 39.000 0.197 0.000 1.155 579 F HN 0.334 nan 8.300 nan 0.000 0.461 580 T N -0.712 114.002 114.554 0.266 0.000 2.885 580 T HA 0.606 5.005 4.350 0.082 0.000 0.285 580 T C -0.336 174.474 174.700 0.184 0.000 1.019 580 T CA -0.858 61.369 62.100 0.213 0.000 1.010 580 T CB 1.802 70.750 68.868 0.135 0.000 1.022 580 T HN 0.469 nan 8.240 nan 0.000 0.466 581 S N 1.872 117.670 115.700 0.164 0.000 2.617 581 S HA 0.502 5.021 4.470 0.082 0.000 0.283 581 S C -1.667 172.969 174.600 0.059 0.000 1.189 581 S CA -1.916 56.345 58.200 0.102 0.000 1.036 581 S CB 0.798 64.045 63.200 0.079 0.000 1.014 581 S HN 0.612 nan 8.310 nan 0.000 0.522 582 P HA -0.034 nan 4.420 nan 0.000 0.222 582 P C -0.204 177.090 177.300 -0.010 0.000 1.147 582 P CA 0.775 63.883 63.100 0.013 0.000 0.790 582 P CB -0.002 31.702 31.700 0.007 0.000 0.780 583 Q N 0.559 120.344 119.800 -0.026 0.000 2.361 583 Q HA 0.069 4.458 4.340 0.082 0.000 0.276 583 Q C 0.100 176.058 176.000 -0.070 0.000 1.022 583 Q CA 0.619 56.383 55.803 -0.064 0.000 0.898 583 Q CB 0.322 28.998 28.738 -0.103 0.000 1.246 583 Q HN 0.316 nan 8.270 nan 0.000 0.410 584 E N 1.739 121.888 120.200 -0.086 0.000 2.202 584 E HA 0.141 4.540 4.350 0.082 0.000 0.272 584 E C -0.492 176.028 176.600 -0.133 0.000 0.951 584 E CA -0.871 55.479 56.400 -0.083 0.000 0.813 584 E CB 1.014 30.668 29.700 -0.078 0.000 1.151 584 E HN 0.537 nan 8.360 nan 0.000 0.398 585 N N 1.651 120.280 118.700 -0.119 0.000 2.327 585 N HA 0.080 4.869 4.740 0.082 0.000 0.257 585 N C -2.104 173.221 175.510 -0.308 0.000 1.281 585 N CA -1.488 51.449 53.050 -0.188 0.000 0.942 585 N CB -0.210 38.220 38.487 -0.096 0.000 1.199 585 N HN 0.057 nan 8.380 nan 0.000 0.532 586 P HA -0.017 nan 4.420 nan 0.000 0.226 586 P C -0.073 176.693 177.300 -0.890 0.000 1.146 586 P CA 1.274 63.849 63.100 -0.874 0.000 0.773 586 P CB -0.125 30.788 31.700 -1.311 0.000 0.772 587 W N -1.991 119.309 121.300 -0.000 0.000 3.132 587 W HA 0.460 5.169 4.660 0.082 0.000 0.364 587 W C 1.151 177.645 176.519 -0.043 0.000 1.129 587 W CA 0.015 57.370 57.345 0.018 0.000 1.815 587 W CB -0.155 29.356 29.460 0.084 0.000 1.099 587 W HN -0.066 nan 8.180 nan 0.000 0.605 588 G N 0.335 109.134 108.800 -0.002 0.000 2.157 588 G HA2 -0.243 3.766 3.960 0.082 0.000 0.248 588 G HA3 -0.243 3.766 3.960 0.082 0.000 0.248 588 G C -0.031 174.734 174.900 -0.224 0.000 0.979 588 G CA -0.353 44.672 45.100 -0.125 0.000 0.650 588 G HN 0.404 nan 8.290 nan 0.000 0.529 589 H N 0.495 119.584 119.070 0.031 0.000 2.463 589 H HA 0.359 4.964 4.556 0.082 0.000 0.332 589 H C 0.480 175.814 175.328 0.010 0.000 1.127 589 H CA -0.428 55.636 56.048 0.028 0.000 1.238 589 H CB 1.175 30.952 29.762 0.025 0.000 1.478 589 H HN 0.155 nan 8.280 nan 0.000 0.499 590 K N 2.507 122.996 120.400 0.147 0.000 2.448 590 K HA 0.064 4.433 4.320 0.082 0.000 0.278 590 K C 0.268 176.937 176.600 0.116 0.000 1.009 590 K CA -0.020 56.326 56.287 0.099 0.000 0.995 590 K CB 0.795 33.358 32.500 0.105 0.000 0.917 590 K HN 0.362 nan 8.250 nan 0.000 0.481 591 R N 1.783 122.310 120.500 0.045 0.000 2.370 591 R HA 0.055 4.444 4.340 0.082 0.000 0.309 591 R C 0.024 176.473 176.300 0.249 0.000 1.059 591 R CA -0.015 56.107 56.100 0.036 0.000 0.981 591 R CB 0.477 30.625 30.300 -0.253 0.000 0.972 591 R HN 0.705 nan 8.270 nan 0.000 0.437 592 S N 1.981 117.914 115.700 0.387 0.000 2.638 592 S HA 0.484 5.003 4.470 0.082 0.000 0.274 592 S C -1.449 173.406 174.600 0.425 0.000 1.157 592 S CA -0.950 57.512 58.200 0.436 0.000 0.826 592 S CB 1.262 64.682 63.200 0.367 0.000 1.139 592 S HN 0.470 nan 8.310 nan 0.000 0.474 593 Y N 0.434 120.888 120.300 0.256 0.000 2.446 593 Y HA 0.627 5.226 4.550 0.082 0.000 0.345 593 Y C 0.330 176.367 175.900 0.227 0.000 0.984 593 Y CA -0.666 57.538 58.100 0.172 0.000 1.058 593 Y CB 1.922 40.408 38.460 0.043 0.000 1.220 593 Y HN 0.822 nan 8.280 nan 0.000 0.455 594 R N 3.904 124.529 120.500 0.208 0.000 2.407 594 R HA 0.543 4.932 4.340 0.082 0.000 0.303 594 R C -1.747 174.656 176.300 0.172 0.000 0.981 594 R CA -0.898 55.275 56.100 0.122 0.000 0.905 594 R CB 0.930 31.198 30.300 -0.053 0.000 1.099 594 R HN 0.680 nan 8.270 nan 0.000 0.459 595 L N 3.683 125.024 121.223 0.197 0.000 2.282 595 L HA 0.342 4.731 4.340 0.082 0.000 0.288 595 L C -1.002 175.903 176.870 0.058 0.000 1.033 595 L CA 0.176 55.114 54.840 0.165 0.000 0.807 595 L CB 1.501 43.687 42.059 0.213 0.000 1.209 595 L HN 0.683 nan 8.230 nan 0.000 0.423 596 Q N 5.317 125.157 119.800 0.067 0.000 2.320 596 Q HA 0.515 4.904 4.340 0.082 0.000 0.268 596 Q C -1.517 174.543 176.000 0.101 0.000 1.023 596 Q CA -0.489 55.324 55.803 0.017 0.000 0.744 596 Q CB 1.294 30.009 28.738 -0.039 0.000 1.246 596 Q HN 0.781 nan 8.270 nan 0.000 0.462 597 I N 3.262 123.886 120.570 0.091 0.000 2.353 597 I HA 0.213 4.432 4.170 0.082 0.000 0.293 597 I C -0.119 176.103 176.117 0.175 0.000 0.992 597 I CA -0.596 60.796 61.300 0.152 0.000 1.268 597 I CB 1.092 39.152 38.000 0.101 0.000 1.387 597 I HN 0.565 nan 8.210 nan 0.000 0.478 598 H N 6.175 125.303 119.070 0.097 0.000 2.661 598 H HA 0.513 5.118 4.556 0.082 0.000 0.290 598 H C -1.288 174.103 175.328 0.106 0.000 1.082 598 H CA -0.082 56.005 56.048 0.065 0.000 1.234 598 H CB 1.266 31.037 29.762 0.015 0.000 1.387 598 H HN 0.620 nan 8.280 nan 0.000 0.476 599 S N 4.139 119.729 115.700 -0.184 0.000 2.547 599 S HA 0.281 4.800 4.470 0.082 0.000 0.270 599 S C -0.431 174.142 174.600 -0.045 0.000 1.150 599 S CA -0.670 57.498 58.200 -0.054 0.000 0.850 599 S CB 1.633 64.922 63.200 0.149 0.000 1.118 599 S HN 0.648 nan 8.310 nan 0.000 0.461 600 M N 2.662 122.278 119.600 0.026 0.000 2.412 600 M HA 0.522 5.052 4.480 0.082 0.000 0.315 600 M C 0.447 176.768 176.300 0.035 0.000 1.092 600 M CA 0.025 55.347 55.300 0.036 0.000 0.974 600 M CB 0.279 32.909 32.600 0.049 0.000 1.437 600 M HN 0.733 nan 8.290 nan 0.000 0.524 601 A N 0.223 123.079 122.820 0.060 0.000 2.386 601 A HA 0.437 4.807 4.320 0.082 0.000 0.246 601 A C 0.012 177.287 177.584 -0.514 0.000 1.089 601 A CA 0.190 52.160 52.037 -0.111 0.000 0.790 601 A CB 0.229 19.266 19.000 0.062 0.000 1.042 601 A HN 0.376 nan 8.150 nan 0.000 0.497 602 D N -1.703 118.148 120.400 -0.915 0.000 2.643 602 D HA 0.354 5.043 4.640 0.082 0.000 0.283 602 D C -1.029 174.636 176.300 -1.059 0.000 1.242 602 D CA -0.420 52.887 54.000 -1.155 0.000 0.863 602 D CB 1.203 41.740 40.800 -0.438 0.000 1.382 602 D HN 0.416 nan 8.370 nan 0.000 0.444 603 Q N 0.499 119.946 119.800 -0.588 0.000 2.274 603 Q HA 0.255 4.644 4.340 0.082 0.000 0.280 603 Q C -0.045 175.837 176.000 -0.197 0.000 1.047 603 Q CA 0.479 56.149 55.803 -0.222 0.000 0.907 603 Q CB 1.013 29.725 28.738 -0.043 0.000 1.171 603 Q HN 0.278 nan 8.270 nan 0.000 0.381 604 V N 4.093 123.907 119.914 -0.167 0.000 2.635 604 V HA 0.144 4.313 4.120 0.082 0.000 0.233 604 V C 0.679 176.722 176.094 -0.086 0.000 1.097 604 V CA 0.347 62.566 62.300 -0.133 0.000 1.134 604 V CB -0.244 31.494 31.823 -0.142 0.000 0.841 604 V HN 0.637 nan 8.190 nan 0.000 0.496 605 L N 1.433 122.610 121.223 -0.076 0.000 2.399 605 L HA 0.374 4.763 4.340 0.082 0.000 0.266 605 L C -2.444 174.420 176.870 -0.010 0.000 1.114 605 L CA -1.709 53.118 54.840 -0.022 0.000 0.804 605 L CB 0.354 42.412 42.059 -0.002 0.000 1.146 605 L HN 0.132 nan 8.230 nan 0.000 0.451 606 P HA 0.158 nan 4.420 nan 0.000 0.271 606 P C -2.483 174.861 177.300 0.074 0.000 1.226 606 P CA -1.204 61.915 63.100 0.032 0.000 0.765 606 P CB -0.007 31.699 31.700 0.010 0.000 0.835 607 P HA 0.029 nan 4.420 nan 0.000 0.261 607 P C 1.093 178.444 177.300 0.084 0.000 1.183 607 P CA 1.434 64.552 63.100 0.030 0.000 0.761 607 P CB 0.037 31.741 31.700 0.007 0.000 0.785 608 G N 2.074 110.924 108.800 0.082 0.000 2.195 608 G HA2 -0.203 3.806 3.960 0.082 0.000 0.246 608 G HA3 -0.203 3.806 3.960 0.082 0.000 0.246 608 G C -0.343 174.655 174.900 0.163 0.000 0.984 608 G CA -0.531 44.629 45.100 0.101 0.000 0.633 608 G HN 0.590 nan 8.290 nan 0.000 0.525 609 W N 2.690 123.990 121.300 0.001 0.000 2.311 609 W HA 0.479 5.188 4.660 0.083 0.000 0.317 609 W C 0.869 177.413 176.519 0.041 0.000 1.065 609 W CA 0.139 57.496 57.345 0.021 0.000 1.364 609 W CB 0.270 29.738 29.460 0.013 0.000 1.233 609 W HN 0.412 nan 8.180 nan 0.000 0.409 610 Q N 2.483 121.940 119.800 -0.572 0.000 2.286 610 Q HA -0.380 4.009 4.340 0.082 0.000 0.417 610 Q C 1.295 177.198 176.000 -0.161 0.000 0.587 610 Q CA 2.806 58.367 55.803 -0.404 0.000 0.976 610 Q CB -1.129 27.199 28.738 -0.683 0.000 2.322 610 Q HN 0.642 nan 8.270 nan 0.000 0.927 611 E N 1.187 121.263 120.200 -0.208 0.000 2.338 611 E HA -0.089 4.310 4.350 0.082 0.000 0.197 611 E C 1.664 178.143 176.600 -0.202 0.000 1.007 611 E CA 0.924 57.114 56.400 -0.349 0.000 0.849 611 E CB -0.112 29.379 29.700 -0.348 0.000 0.774 611 E HN 0.367 nan 8.360 nan 0.000 0.506 612 E N 0.804 120.943 120.200 -0.102 0.000 2.267 612 E HA -0.276 4.123 4.350 0.082 0.000 0.197 612 E C 1.723 178.252 176.600 -0.119 0.000 0.998 612 E CA 0.883 57.226 56.400 -0.094 0.000 0.830 612 E CB 0.107 29.800 29.700 -0.012 0.000 0.751 612 E HN 0.209 nan 8.360 nan 0.000 0.491 613 Q N 0.267 120.007 119.800 -0.100 0.000 2.234 613 Q HA -0.103 4.286 4.340 0.082 0.000 0.206 613 Q C 1.796 177.751 176.000 -0.075 0.000 0.980 613 Q CA 1.776 57.531 55.803 -0.080 0.000 0.869 613 Q CB -0.429 28.270 28.738 -0.065 0.000 0.912 613 Q HN 0.317 nan 8.270 nan 0.000 0.436 614 A N 0.107 122.871 122.820 -0.094 0.000 2.066 614 A HA 0.044 4.413 4.320 0.082 0.000 0.218 614 A C 1.340 178.945 177.584 0.035 0.000 1.157 614 A CA 1.120 53.178 52.037 0.034 0.000 0.670 614 A CB -0.400 18.595 19.000 -0.007 0.000 0.804 614 A HN 0.544 nan 8.150 nan 0.000 0.453 615 I N -3.438 116.986 120.570 -0.242 0.000 2.979 615 I HA 0.243 4.463 4.170 0.082 0.000 0.337 615 I C 0.954 176.577 176.117 -0.823 0.000 1.453 615 I CA 0.302 61.146 61.300 -0.761 0.000 0.891 615 I CB 0.059 37.578 38.000 -0.801 0.000 1.887 615 I HN 0.041 nan 8.210 nan 0.000 0.546 616 T N -1.870 112.439 114.554 -0.409 0.000 2.962 616 T HA -0.146 4.253 4.350 0.082 0.000 0.270 616 T C 1.557 176.181 174.700 -0.127 0.000 1.088 616 T CA 1.131 63.119 62.100 -0.188 0.000 1.127 616 T CB -0.461 68.418 68.868 0.017 0.000 0.883 616 T HN 0.786 nan 8.240 nan 0.000 0.493 617 W N 1.984 123.150 121.300 -0.223 0.000 2.350 617 W HA 0.157 4.865 4.660 0.081 0.000 0.289 617 W C 1.915 178.222 176.519 -0.354 0.000 1.215 617 W CA 0.412 57.353 57.345 -0.674 0.000 1.236 617 W CB -1.042 27.517 29.460 -1.502 0.000 1.130 617 W HN 0.373 nan 8.180 nan 0.000 0.541 618 A N 1.474 123.944 122.820 -0.583 0.000 2.239 618 A HA 0.013 4.382 4.320 0.082 0.000 0.209 618 A C 2.029 179.600 177.584 -0.021 0.000 1.171 618 A CA 0.386 52.256 52.037 -0.280 0.000 0.768 618 A CB -0.743 17.841 19.000 -0.694 0.000 0.790 618 A HN 0.358 nan 8.150 nan 0.000 0.478 619 R N -1.600 118.765 120.500 -0.226 0.000 2.235 619 R HA 0.001 4.390 4.340 0.082 0.000 0.213 619 R C -0.714 175.240 176.300 -0.576 0.000 1.059 619 R CA 0.729 56.572 56.100 -0.428 0.000 0.997 619 R CB -0.062 29.699 30.300 -0.898 0.000 0.884 619 R HN 0.628 nan 8.270 nan 0.000 0.462 620 Y N -0.270 120.008 120.300 -0.038 0.000 2.327 620 Y HA 0.248 4.847 4.550 0.082 0.000 0.325 620 Y C -1.737 174.045 175.900 -0.196 0.000 0.999 620 Y CA -2.785 55.231 58.100 -0.139 0.000 1.195 620 Y CB 1.791 40.291 38.460 0.066 0.000 1.132 620 Y HN -0.143 nan 8.280 nan 0.000 0.455 621 P HA -0.160 nan 4.420 nan 0.000 0.216 621 P C -0.184 177.152 177.300 0.061 0.000 1.150 621 P CA 1.211 64.213 63.100 -0.164 0.000 0.837 621 P CB 0.869 32.403 31.700 -0.277 0.000 0.786 622 L N -1.679 119.620 121.223 0.127 0.000 2.464 622 L HA 0.739 5.128 4.340 0.082 0.000 0.266 622 L C -1.691 175.353 176.870 0.290 0.000 0.965 622 L CA -1.090 53.855 54.840 0.175 0.000 0.833 622 L CB 2.014 44.107 42.059 0.057 0.000 1.296 622 L HN -0.096 nan 8.230 nan 0.000 0.405 623 A N 4.000 126.985 122.820 0.275 0.000 2.475 623 A HA 0.887 5.256 4.320 0.082 0.000 0.301 623 A C -1.738 176.029 177.584 0.306 0.000 1.059 623 A CA -0.588 51.578 52.037 0.216 0.000 0.710 623 A CB 2.067 21.160 19.000 0.156 0.000 1.288 623 A HN 0.554 nan 8.150 nan 0.000 0.408 624 V N 1.825 121.834 119.914 0.159 0.000 2.487 624 V HA 0.720 4.890 4.120 0.082 0.000 0.298 624 V C 0.235 176.462 176.094 0.221 0.000 1.028 624 V CA -0.080 62.319 62.300 0.165 0.000 0.860 624 V CB 1.554 33.318 31.823 -0.098 0.000 0.991 624 V HN 1.171 nan 8.190 nan 0.000 0.427 625 T N 1.074 115.828 114.554 0.334 0.000 2.924 625 T HA 0.591 4.990 4.350 0.082 0.000 0.291 625 T C -0.534 174.284 174.700 0.196 0.000 1.045 625 T CA -0.937 61.321 62.100 0.263 0.000 1.015 625 T CB 1.927 71.004 68.868 0.349 0.000 1.103 625 T HN 0.603 nan 8.240 nan 0.000 0.496 626 K N 1.508 121.990 120.400 0.137 0.000 2.368 626 K HA 0.163 4.532 4.320 0.082 0.000 0.282 626 K C -0.588 176.084 176.600 0.119 0.000 1.035 626 K CA -0.692 55.670 56.287 0.125 0.000 0.973 626 K CB 0.189 32.747 32.500 0.097 0.000 0.957 626 K HN 0.692 nan 8.250 nan 0.000 0.474 627 Y N 4.261 124.577 120.300 0.026 0.000 2.810 627 Y HA -0.060 4.539 4.550 0.082 0.000 0.332 627 Y C -0.479 175.412 175.900 -0.016 0.000 1.243 627 Y CA 0.880 58.981 58.100 0.002 0.000 1.537 627 Y CB 0.474 38.919 38.460 -0.026 0.000 1.265 627 Y HN 0.560 nan 8.280 nan 0.000 0.572 628 R N 4.855 125.033 120.500 -0.537 0.000 2.564 628 R HA 0.127 4.516 4.340 0.082 0.000 0.284 628 R C 0.481 176.467 176.300 -0.524 0.000 1.031 628 R CA -0.862 55.019 56.100 -0.366 0.000 0.904 628 R CB 1.685 31.834 30.300 -0.253 0.000 1.199 628 R HN 0.666 nan 8.270 nan 0.000 0.443 629 E N 0.657 120.717 120.200 -0.233 0.000 2.265 629 E HA -0.121 4.279 4.350 0.082 0.000 0.196 629 E C 1.230 177.778 176.600 -0.087 0.000 0.996 629 E CA 1.630 57.966 56.400 -0.106 0.000 0.832 629 E CB 0.183 29.912 29.700 0.049 0.000 0.756 629 E HN 0.594 nan 8.360 nan 0.000 0.491 630 S N -0.100 115.533 115.700 -0.112 0.000 2.603 630 S HA 0.034 4.553 4.470 0.082 0.000 0.220 630 S C 0.810 175.329 174.600 -0.135 0.000 0.967 630 S CA 0.070 58.226 58.200 -0.074 0.000 0.920 630 S CB -0.002 63.164 63.200 -0.057 0.000 0.773 630 S HN 0.138 nan 8.310 nan 0.000 0.529 631 E N 0.647 120.679 120.200 -0.280 0.000 3.575 631 E HA 0.325 4.724 4.350 0.082 0.000 0.201 631 E C 0.263 176.811 176.600 -0.086 0.000 0.999 631 E CA -0.082 56.021 56.400 -0.494 0.000 1.315 631 E CB 0.457 29.394 29.700 -1.272 0.000 1.146 631 E HN 0.379 nan 8.360 nan 0.000 0.453 632 L N -0.356 120.897 121.223 0.049 0.000 2.313 632 L HA 0.092 4.481 4.340 0.082 0.000 0.214 632 L C 0.668 177.744 176.870 0.343 0.000 1.119 632 L CA 0.587 55.511 54.840 0.141 0.000 0.809 632 L CB 0.074 42.201 42.059 0.114 0.000 0.933 632 L HN 0.260 nan 8.230 nan 0.000 0.449 633 C N -1.195 118.354 119.300 0.415 0.000 2.626 633 C HA 0.285 4.794 4.460 0.082 0.000 0.310 633 C C 1.526 176.797 174.990 0.469 0.000 1.191 633 C CA -0.717 58.554 59.018 0.421 0.000 1.517 633 C CB 1.871 29.760 27.740 0.247 0.000 2.102 633 C HN 0.378 nan 8.230 nan 0.000 0.479 634 S N 0.202 116.122 115.700 0.366 0.000 2.524 634 S HA 0.132 4.651 4.470 0.082 0.000 0.216 634 S C 0.581 175.174 174.600 -0.012 0.000 0.987 634 S CA 0.255 58.544 58.200 0.148 0.000 0.909 634 S CB 0.113 63.337 63.200 0.041 0.000 0.781 634 S HN 0.723 nan 8.310 nan 0.000 0.521 635 S N 0.268 115.915 115.700 -0.088 0.000 2.911 635 S HA 0.837 5.356 4.470 0.082 0.000 0.319 635 S C -1.210 173.261 174.600 -0.215 0.000 1.154 635 S CA 0.051 57.993 58.200 -0.431 0.000 0.857 635 S CB 1.578 64.578 63.200 -0.333 0.000 1.279 635 S HN 0.837 nan 8.310 nan 0.000 0.593 636 S N -0.336 115.242 115.700 -0.203 0.000 2.611 636 S HA 0.326 4.846 4.470 0.082 0.000 0.268 636 S C 0.732 175.376 174.600 0.074 0.000 1.156 636 S CA -0.308 57.956 58.200 0.107 0.000 0.817 636 S CB -0.043 63.390 63.200 0.389 0.000 1.122 636 S HN 1.079 nan 8.310 nan 0.000 0.466 637 I N -1.240 119.273 120.570 -0.095 0.000 2.850 637 I HA -0.000 4.219 4.170 0.082 0.000 0.266 637 I C 1.259 177.241 176.117 -0.224 0.000 1.257 637 I CA 0.977 62.172 61.300 -0.174 0.000 1.465 637 I CB -0.662 37.207 38.000 -0.219 0.000 1.091 637 I HN 0.682 nan 8.210 nan 0.000 0.467 638 Y N 0.148 120.559 120.300 0.185 0.000 2.503 638 Y HA 0.042 4.640 4.550 0.079 0.000 0.278 638 Y C 2.367 178.328 175.900 0.101 0.000 1.111 638 Y CA 0.400 58.565 58.100 0.108 0.000 1.270 638 Y CB -0.504 38.007 38.460 0.084 0.000 1.063 638 Y HN 0.132 nan 8.280 nan 0.000 0.548 639 H N 0.018 119.174 119.070 0.142 0.000 2.387 639 H HA -0.214 4.391 4.556 0.081 0.000 0.299 639 H C 2.158 177.506 175.328 0.033 0.000 1.099 639 H CA 1.888 57.988 56.048 0.086 0.000 1.315 639 H CB -0.176 29.647 29.762 0.102 0.000 1.380 639 H HN 0.256 nan 8.280 nan 0.000 0.513 640 Q N 0.537 120.440 119.800 0.171 0.000 2.096 640 Q HA -0.132 4.257 4.340 0.082 0.000 0.204 640 Q C 1.165 177.177 176.000 0.021 0.000 0.982 640 Q CA 1.851 57.723 55.803 0.115 0.000 0.850 640 Q CB -0.020 28.795 28.738 0.128 0.000 0.901 640 Q HN 0.329 nan 8.270 nan 0.000 0.422 641 N N -0.227 118.480 118.700 0.011 0.000 2.254 641 N HA 0.045 4.834 4.740 0.082 0.000 0.190 641 N C -0.803 174.743 175.510 0.061 0.000 1.107 641 N CA 0.407 53.461 53.050 0.005 0.000 0.869 641 N CB 0.679 39.140 38.487 -0.044 0.000 0.983 641 N HN 0.162 nan 8.380 nan 0.000 0.487 642 D N 0.029 120.456 120.400 0.044 0.000 2.552 642 D HA 0.196 4.885 4.640 0.082 0.000 0.285 642 D C -2.048 174.196 176.300 -0.093 0.000 1.206 642 D CA -1.659 52.405 54.000 0.106 0.000 0.826 642 D CB 1.291 42.229 40.800 0.230 0.000 1.179 642 D HN 0.000 nan 8.370 nan 0.000 0.508 643 P HA 0.002 nan 4.420 nan 0.000 0.233 643 P C 1.359 178.420 177.300 -0.397 0.000 1.167 643 P CA 0.312 63.149 63.100 -0.439 0.000 0.770 643 P CB 0.136 31.470 31.700 -0.610 0.000 0.837 644 W N 0.397 121.660 121.300 -0.062 0.000 2.476 644 W HA 0.065 4.773 4.660 0.080 0.000 0.281 644 W C 0.436 176.906 176.519 -0.081 0.000 1.230 644 W CA 0.649 57.943 57.345 -0.086 0.000 1.287 644 W CB -0.507 28.901 29.460 -0.087 0.000 1.108 644 W HN 0.076 nan 8.180 nan 0.000 0.567 645 D N -0.446 120.047 120.400 0.154 0.000 2.772 645 D HA 0.189 4.878 4.640 0.082 0.000 0.326 645 D C -2.565 173.648 176.300 -0.146 0.000 1.207 645 D CA -1.868 52.159 54.000 0.045 0.000 0.777 645 D CB 0.779 41.686 40.800 0.179 0.000 1.169 645 D HN -0.176 nan 8.370 nan 0.000 0.506 646 P HA 0.280 nan 4.420 nan 0.000 0.276 646 P C -1.990 175.078 177.300 -0.386 0.000 1.252 646 P CA -1.054 61.767 63.100 -0.466 0.000 0.802 646 P CB 0.992 32.170 31.700 -0.869 0.000 1.035 647 P HA 0.025 nan 4.420 nan 0.000 0.236 647 P C -0.063 177.251 177.300 0.024 0.000 1.177 647 P CA 0.733 63.740 63.100 -0.156 0.000 0.773 647 P CB 0.406 32.069 31.700 -0.061 0.000 0.878 648 V N 0.571 120.563 119.914 0.130 0.000 2.569 648 V HA 0.234 4.404 4.120 0.082 0.000 0.301 648 V C -0.347 175.844 176.094 0.161 0.000 1.044 648 V CA -0.768 61.655 62.300 0.204 0.000 0.874 648 V CB 2.797 34.810 31.823 0.316 0.000 1.002 648 V HN -0.335 nan 8.190 nan 0.000 0.424 649 V N 5.215 125.113 119.914 -0.027 0.000 2.326 649 V HA 0.268 4.438 4.120 0.082 0.000 0.281 649 V C 0.719 176.614 176.094 -0.331 0.000 1.015 649 V CA -0.245 62.005 62.300 -0.083 0.000 0.823 649 V CB 1.110 32.890 31.823 -0.072 0.000 1.009 649 V HN 0.866 nan 8.190 nan 0.000 0.436 650 F N 3.562 123.228 119.950 -0.474 0.000 2.120 650 F HA -0.198 4.378 4.527 0.081 0.000 0.300 650 F C 2.152 177.618 175.800 -0.557 0.000 1.095 650 F CA 2.403 59.891 58.000 -0.853 0.000 1.249 650 F CB 0.193 38.931 39.000 -0.436 0.000 0.995 650 F HN 0.662 nan 8.300 nan 0.000 0.480 651 E N 0.493 120.612 120.200 -0.135 0.000 2.147 651 E HA -0.291 4.108 4.350 0.082 0.000 0.199 651 E C 2.044 178.566 176.600 -0.130 0.000 1.005 651 E CA 1.986 58.361 56.400 -0.043 0.000 0.810 651 E CB -0.401 29.346 29.700 0.079 0.000 0.736 651 E HN 0.642 nan 8.360 nan 0.000 0.460 652 Q N -1.139 118.566 119.800 -0.159 0.000 2.291 652 Q HA -0.119 4.270 4.340 0.082 0.000 0.205 652 Q C 1.689 177.737 176.000 0.079 0.000 0.970 652 Q CA 0.878 56.663 55.803 -0.031 0.000 0.876 652 Q CB -0.159 28.559 28.738 -0.032 0.000 0.935 652 Q HN 0.336 nan 8.270 nan 0.000 0.455 653 F N 0.497 120.266 119.950 -0.300 0.000 2.202 653 F HA -0.151 4.425 4.527 0.081 0.000 0.301 653 F C 1.786 177.437 175.800 -0.249 0.000 1.082 653 F CA 0.887 58.676 58.000 -0.352 0.000 1.313 653 F CB -0.532 38.037 39.000 -0.718 0.000 1.024 653 F HN 0.090 nan 8.300 nan 0.000 0.495 654 L N -1.495 119.690 121.223 -0.063 0.000 2.558 654 L HA -0.047 4.342 4.340 0.082 0.000 0.225 654 L C 2.418 179.308 176.870 0.033 0.000 1.128 654 L CA 0.256 55.073 54.840 -0.038 0.000 0.868 654 L CB -0.772 41.230 42.059 -0.095 0.000 1.006 654 L HN 0.200 nan 8.230 nan 0.000 0.454 655 H N 2.307 121.367 119.070 -0.016 0.000 2.353 655 H HA -0.149 4.456 4.556 0.082 0.000 0.300 655 H C 1.630 176.958 175.328 0.000 0.000 1.090 655 H CA 2.014 58.060 56.048 -0.004 0.000 1.327 655 H CB 0.266 30.028 29.762 -0.000 0.000 1.383 655 H HN 0.493 nan 8.280 nan 0.000 0.508 656 N N 0.806 119.518 118.700 0.019 0.000 2.550 656 N HA -0.158 4.631 4.740 0.082 0.000 0.186 656 N C 0.218 175.710 175.510 -0.030 0.000 1.110 656 N CA 0.694 53.727 53.050 -0.028 0.000 0.912 656 N CB -0.926 37.591 38.487 0.050 0.000 0.968 656 N HN 0.197 nan 8.380 nan 0.000 0.448 657 N N 1.174 119.867 118.700 -0.011 0.000 2.678 657 N HA -0.213 4.577 4.740 0.082 0.000 0.268 657 N C -1.266 174.350 175.510 0.178 0.000 1.010 657 N CA 0.551 53.626 53.050 0.043 0.000 0.784 657 N CB -1.054 37.401 38.487 -0.053 0.000 0.905 657 N HN 0.566 nan 8.380 nan 0.000 0.552 658 E N 0.319 120.641 120.200 0.203 0.000 2.371 658 E HA 0.096 4.495 4.350 0.082 0.000 0.257 658 E C 0.507 177.328 176.600 0.368 0.000 1.134 658 E CA -0.785 55.777 56.400 0.271 0.000 0.919 658 E CB 0.510 30.302 29.700 0.153 0.000 1.025 658 E HN 0.370 nan 8.360 nan 0.000 0.438 659 N N 2.209 121.079 118.700 0.284 0.000 2.483 659 N HA -0.004 4.785 4.740 0.082 0.000 0.264 659 N C 0.088 175.563 175.510 -0.058 0.000 1.197 659 N CA 0.172 53.148 53.050 -0.123 0.000 0.927 659 N CB 0.484 38.821 38.487 -0.249 0.000 1.065 659 N HN 0.484 nan 8.380 nan 0.000 0.461 660 I N -0.368 120.142 120.570 -0.100 0.000 3.833 660 I HA 0.344 4.563 4.170 0.082 0.000 0.328 660 I C -0.587 175.527 176.117 -0.005 0.000 1.554 660 I CA -0.552 60.752 61.300 0.007 0.000 1.116 660 I CB 0.162 38.213 38.000 0.085 0.000 1.182 660 I HN 0.225 nan 8.210 nan 0.000 0.459 661 E N 2.389 122.534 120.200 -0.092 0.000 2.152 661 E HA 0.158 4.557 4.350 0.082 0.000 0.285 661 E C -0.417 176.168 176.600 -0.025 0.000 1.043 661 E CA -0.542 55.819 56.400 -0.065 0.000 0.839 661 E CB 0.460 30.079 29.700 -0.135 0.000 1.069 661 E HN 0.364 nan 8.360 nan 0.000 0.399 662 N N 3.114 121.823 118.700 0.015 0.000 2.708 662 N HA -0.172 4.617 4.740 0.082 0.000 0.255 662 N C -1.355 174.170 175.510 0.026 0.000 1.046 662 N CA 0.763 53.826 53.050 0.023 0.000 0.715 662 N CB -0.323 38.167 38.487 0.005 0.000 0.895 662 N HN 0.442 nan 8.380 nan 0.000 0.545 663 E N -0.269 119.959 120.200 0.047 0.000 2.423 663 E HA 0.243 4.642 4.350 0.082 0.000 0.269 663 E C -0.970 175.667 176.600 0.063 0.000 0.948 663 E CA -0.715 55.715 56.400 0.050 0.000 0.802 663 E CB 0.616 30.350 29.700 0.058 0.000 1.339 663 E HN 0.256 nan 8.360 nan 0.000 0.445 664 D N 1.536 121.968 120.400 0.054 0.000 2.344 664 D HA 0.198 4.887 4.640 0.082 0.000 0.253 664 D C -0.575 175.791 176.300 0.112 0.000 1.255 664 D CA 0.089 54.116 54.000 0.044 0.000 0.894 664 D CB -0.108 40.674 40.800 -0.030 0.000 1.067 664 D HN 0.222 nan 8.370 nan 0.000 0.492 665 L N 2.696 123.986 121.223 0.112 0.000 2.360 665 L HA 0.565 4.954 4.340 0.082 0.000 0.271 665 L C -0.170 176.741 176.870 0.068 0.000 1.057 665 L CA -1.203 53.721 54.840 0.140 0.000 0.803 665 L CB 1.877 44.072 42.059 0.227 0.000 1.207 665 L HN 0.051 nan 8.230 nan 0.000 0.445 666 V N 1.354 121.295 119.914 0.045 0.000 2.525 666 V HA 0.521 4.690 4.120 0.082 0.000 0.299 666 V C 0.083 176.051 176.094 -0.210 0.000 1.034 666 V CA -0.641 61.562 62.300 -0.162 0.000 0.863 666 V CB 1.653 33.341 31.823 -0.225 0.000 0.999 666 V HN 0.870 nan 8.190 nan 0.000 0.423 667 A N 4.626 127.221 122.820 -0.375 0.000 2.331 667 A HA 0.738 5.107 4.320 0.082 0.000 0.283 667 A C -1.219 176.138 177.584 -0.378 0.000 1.142 667 A CA -0.224 51.654 52.037 -0.265 0.000 0.812 667 A CB 0.357 19.093 19.000 -0.440 0.000 1.074 667 A HN 0.819 nan 8.150 nan 0.000 0.497 668 W N 1.698 122.964 121.300 -0.057 0.000 2.600 668 W HA 0.541 5.250 4.660 0.081 0.000 0.325 668 W C -0.871 175.542 176.519 -0.177 0.000 1.034 668 W CA -0.521 56.735 57.345 -0.148 0.000 1.226 668 W CB 2.020 31.542 29.460 0.103 0.000 1.379 668 W HN 0.416 nan 8.180 nan 0.000 0.466 669 V N 3.155 122.982 119.914 -0.147 0.000 2.487 669 V HA 0.480 4.650 4.120 0.082 0.000 0.298 669 V C -0.157 176.042 176.094 0.174 0.000 1.028 669 V CA -0.776 61.492 62.300 -0.054 0.000 0.860 669 V CB 1.728 33.331 31.823 -0.366 0.000 0.991 669 V HN 0.482 nan 8.190 nan 0.000 0.427 670 T N 5.049 119.820 114.554 0.363 0.000 2.767 670 T HA 0.631 5.030 4.350 0.082 0.000 0.284 670 T C -0.221 174.749 174.700 0.449 0.000 0.973 670 T CA -0.346 62.073 62.100 0.532 0.000 0.996 670 T CB 1.329 70.581 68.868 0.639 0.000 0.927 670 T HN 0.736 nan 8.240 nan 0.000 0.456 671 V N 0.542 120.733 119.914 0.462 0.000 2.962 671 V HA 1.110 5.279 4.120 0.082 0.000 0.313 671 V C -0.016 176.302 176.094 0.373 0.000 1.099 671 V CA -0.565 61.974 62.300 0.399 0.000 0.971 671 V CB 1.669 33.731 31.823 0.398 0.000 1.028 671 V HN 1.122 nan 8.190 nan 0.000 0.430 672 G N 1.583 110.570 108.800 0.311 0.000 2.320 672 G HA2 0.724 4.733 3.960 0.082 0.000 0.296 672 G HA3 0.724 4.733 3.960 0.082 0.000 0.296 672 G C -1.608 173.469 174.900 0.296 0.000 1.306 672 G CA -0.050 45.205 45.100 0.258 0.000 0.836 672 G HN 2.182 nan 8.290 nan 0.000 0.517 673 F N -1.728 118.271 119.950 0.081 0.000 2.688 673 F HA 0.720 5.297 4.527 0.082 0.000 0.308 673 F C -1.163 174.653 175.800 0.027 0.000 1.117 673 F CA -1.442 56.569 58.000 0.020 0.000 0.976 673 F CB 1.298 40.290 39.000 -0.013 0.000 1.291 673 F HN 0.626 nan 8.300 nan 0.000 0.439 674 L N 3.622 124.904 121.223 0.099 0.000 2.453 674 L HA 0.313 4.702 4.340 0.082 0.000 0.272 674 L C -0.605 176.359 176.870 0.157 0.000 1.182 674 L CA 0.476 55.317 54.840 0.002 0.000 0.858 674 L CB 0.134 42.188 42.059 -0.008 0.000 1.120 674 L HN 0.878 nan 8.230 nan 0.000 0.474 675 H N 5.853 124.800 119.070 -0.206 0.000 2.762 675 H HA 0.409 5.014 4.556 0.082 0.000 0.310 675 H C -0.935 174.272 175.328 -0.202 0.000 1.004 675 H CA -0.954 55.018 56.048 -0.126 0.000 1.267 675 H CB 0.793 30.447 29.762 -0.181 0.000 1.437 675 H HN 0.637 nan 8.280 nan 0.000 0.498 676 I N 7.980 128.635 120.570 0.142 0.000 2.301 676 I HA 0.197 4.416 4.170 0.082 0.000 0.292 676 I C -2.169 174.061 176.117 0.189 0.000 1.046 676 I CA -1.974 59.369 61.300 0.071 0.000 1.282 676 I CB 1.196 39.237 38.000 0.068 0.000 1.409 676 I HN 0.461 nan 8.210 nan 0.000 0.484 677 P HA 0.124 nan 4.420 nan 0.000 0.269 677 P C -1.239 176.197 177.300 0.228 0.000 1.215 677 P CA 0.169 63.322 63.100 0.088 0.000 0.780 677 P CB 0.416 32.102 31.700 -0.023 0.000 0.898 678 H N -3.098 116.038 119.070 0.111 0.000 2.949 678 H HA 0.463 5.068 4.556 0.082 0.000 0.356 678 H C 0.871 176.230 175.328 0.052 0.000 1.212 678 H CA -0.881 55.205 56.048 0.064 0.000 1.136 678 H CB 0.561 30.358 29.762 0.059 0.000 1.869 678 H HN 0.186 nan 8.280 nan 0.000 0.556 679 S N -0.027 115.716 115.700 0.072 0.000 2.419 679 S HA -0.207 4.312 4.470 0.082 0.000 0.233 679 S C 1.114 175.695 174.600 -0.031 0.000 1.016 679 S CA 1.453 59.653 58.200 -0.000 0.000 0.974 679 S CB -0.489 62.709 63.200 -0.003 0.000 0.786 679 S HN 0.709 nan 8.310 nan 0.000 0.492 680 E N 1.593 121.782 120.200 -0.019 0.000 2.409 680 E HA -0.017 4.382 4.350 0.082 0.000 0.198 680 E C 1.037 177.544 176.600 -0.155 0.000 1.024 680 E CA 0.755 57.130 56.400 -0.042 0.000 0.861 680 E CB -0.296 29.454 29.700 0.083 0.000 0.788 680 E HN 0.511 nan 8.360 nan 0.000 0.521 681 D N -0.018 120.219 120.400 -0.272 0.000 2.378 681 D HA -0.052 4.637 4.640 0.082 0.000 0.227 681 D C 0.039 176.286 176.300 -0.089 0.000 1.012 681 D CA 0.488 54.382 54.000 -0.176 0.000 0.905 681 D CB 0.212 40.943 40.800 -0.115 0.000 0.895 681 D HN 0.138 nan 8.370 nan 0.000 0.532 682 I N 2.321 122.856 120.570 -0.058 0.000 2.331 682 I HA 0.093 4.312 4.170 0.082 0.000 0.292 682 I C -1.152 174.931 176.117 -0.056 0.000 0.998 682 I CA -2.015 59.286 61.300 0.002 0.000 1.267 682 I CB 1.290 39.340 38.000 0.082 0.000 1.386 682 I HN -0.221 nan 8.210 nan 0.000 0.476 683 P HA 0.012 nan 4.420 nan 0.000 0.227 683 P C 0.008 177.077 177.300 -0.385 0.000 1.161 683 P CA 0.767 63.767 63.100 -0.167 0.000 0.788 683 P CB 0.785 32.304 31.700 -0.301 0.000 0.822 684 N N -0.636 117.809 118.700 -0.424 0.000 2.229 684 N HA 0.215 5.004 4.740 0.082 0.000 0.298 684 N C -0.477 174.913 175.510 -0.201 0.000 1.114 684 N CA -0.475 52.334 53.050 -0.401 0.000 0.776 684 N CB 2.082 40.306 38.487 -0.440 0.000 1.501 684 N HN -0.123 nan 8.380 nan 0.000 0.474 685 T N -0.442 114.041 114.554 -0.119 0.000 2.928 685 T HA 0.409 4.808 4.350 0.082 0.000 0.305 685 T C 0.256 174.896 174.700 -0.101 0.000 1.035 685 T CA -0.629 61.428 62.100 -0.070 0.000 1.145 685 T CB 0.860 69.740 68.868 0.019 0.000 0.963 685 T HN 0.453 nan 8.240 nan 0.000 0.545 686 A N 2.875 125.639 122.820 -0.093 0.000 2.294 686 A HA 0.648 5.018 4.320 0.082 0.000 0.330 686 A C 1.563 179.094 177.584 -0.089 0.000 1.133 686 A CA -0.288 51.699 52.037 -0.083 0.000 0.836 686 A CB 0.772 19.735 19.000 -0.061 0.000 1.190 686 A HN 1.099 nan 8.150 nan 0.000 0.492 687 T N -2.006 112.500 114.554 -0.080 0.000 2.985 687 T HA 0.109 4.508 4.350 0.082 0.000 0.266 687 T C -1.645 173.022 174.700 -0.056 0.000 1.076 687 T CA 0.152 62.212 62.100 -0.067 0.000 1.135 687 T CB -1.378 67.442 68.868 -0.079 0.000 0.890 687 T HN 0.424 nan 8.240 nan 0.000 0.480 688 P HA 0.317 nan 4.420 nan 0.000 0.267 688 P C 1.098 178.351 177.300 -0.078 0.000 1.209 688 P CA 1.075 64.144 63.100 -0.052 0.000 0.763 688 P CB 0.099 31.773 31.700 -0.043 0.000 0.816 689 G N 3.216 111.968 108.800 -0.081 0.000 2.196 689 G HA2 -0.278 3.731 3.960 0.082 0.000 0.268 689 G HA3 -0.278 3.731 3.960 0.082 0.000 0.268 689 G C 0.498 175.247 174.900 -0.253 0.000 0.975 689 G CA -0.186 44.840 45.100 -0.122 0.000 0.648 689 G HN 0.563 nan 8.290 nan 0.000 0.538 690 N N 0.683 119.215 118.700 -0.279 0.000 2.761 690 N HA 0.421 5.210 4.740 0.082 0.000 0.317 690 N C -0.032 175.225 175.510 -0.421 0.000 1.546 690 N CA 0.706 53.441 53.050 -0.526 0.000 1.015 690 N CB 0.859 39.111 38.487 -0.392 0.000 1.343 690 N HN 0.754 nan 8.380 nan 0.000 0.504 691 S N -1.354 114.143 115.700 -0.338 0.000 2.546 691 S HA 0.798 5.317 4.470 0.082 0.000 0.274 691 S C -0.357 174.197 174.600 -0.077 0.000 1.121 691 S CA -0.650 57.411 58.200 -0.231 0.000 0.887 691 S CB 2.003 65.016 63.200 -0.313 0.000 1.094 691 S HN -0.055 nan 8.310 nan 0.000 0.474 692 V N -1.201 118.718 119.914 0.007 0.000 3.160 692 V HA 1.087 5.256 4.120 0.082 0.000 0.310 692 V C 0.411 176.586 176.094 0.135 0.000 1.181 692 V CA 0.004 62.393 62.300 0.149 0.000 1.047 692 V CB 0.992 32.942 31.823 0.211 0.000 1.068 692 V HN 1.837 nan 8.190 nan 0.000 0.441 693 G N 0.404 109.319 108.800 0.192 0.000 2.399 693 G HA2 0.633 4.642 3.960 0.082 0.000 0.256 693 G HA3 0.633 4.642 3.960 0.082 0.000 0.256 693 G C -1.538 173.470 174.900 0.179 0.000 1.236 693 G CA 0.051 45.195 45.100 0.073 0.000 0.914 693 G HN 2.131 nan 8.290 nan 0.000 0.482 694 F N -1.806 118.072 119.950 -0.120 0.000 2.713 694 F HA 0.875 5.451 4.527 0.081 0.000 0.311 694 F C -1.703 174.032 175.800 -0.108 0.000 1.141 694 F CA -1.402 56.544 58.000 -0.090 0.000 0.939 694 F CB 1.190 40.123 39.000 -0.111 0.000 1.325 694 F HN 0.495 nan 8.300 nan 0.000 0.453 695 L N 2.324 123.591 121.223 0.074 0.000 2.330 695 L HA 0.683 5.073 4.340 0.082 0.000 0.271 695 L C -0.837 176.123 176.870 0.151 0.000 1.013 695 L CA -0.697 54.142 54.840 -0.002 0.000 0.816 695 L CB 1.955 43.986 42.059 -0.048 0.000 1.287 695 L HN 0.654 nan 8.230 nan 0.000 0.435 696 L N 3.004 124.312 121.223 0.142 0.000 2.343 696 L HA 0.606 4.995 4.340 0.082 0.000 0.278 696 L C -0.472 176.584 176.870 0.309 0.000 0.996 696 L CA -0.548 54.454 54.840 0.271 0.000 0.831 696 L CB 1.299 43.520 42.059 0.270 0.000 1.232 696 L HN 0.526 nan 8.230 nan 0.000 0.413 697 R N 3.462 124.061 120.500 0.166 0.000 2.562 697 R HA 0.481 4.870 4.340 0.082 0.000 0.298 697 R C -2.638 173.338 176.300 -0.539 0.000 0.961 697 R CA -2.057 53.998 56.100 -0.075 0.000 0.881 697 R CB 1.721 31.991 30.300 -0.051 0.000 1.159 697 R HN 0.227 nan 8.270 nan 0.000 0.450 698 P HA -0.055 nan 4.420 nan 0.000 0.263 698 P C -1.130 176.037 177.300 -0.222 0.000 1.195 698 P CA 0.290 62.829 63.100 -0.934 0.000 0.762 698 P CB 0.256 31.768 31.700 -0.314 0.000 0.799 699 F N 4.579 124.381 119.950 -0.247 0.000 2.646 699 F HA 0.319 4.895 4.527 0.082 0.000 0.364 699 F C 0.232 176.052 175.800 0.033 0.000 1.137 699 F CA -0.407 57.569 58.000 -0.040 0.000 1.085 699 F CB 0.326 39.342 39.000 0.026 0.000 1.331 699 F HN 0.257 nan 8.300 nan 0.000 0.472 700 N N 3.628 122.166 118.700 -0.271 0.000 2.741 700 N HA -0.318 4.471 4.740 0.082 0.000 0.251 700 N C 0.623 176.131 175.510 -0.003 0.000 1.112 700 N CA 1.432 54.396 53.050 -0.144 0.000 0.750 700 N CB -1.781 36.596 38.487 -0.183 0.000 1.119 700 N HN 0.693 nan 8.380 nan 0.000 0.561 701 F N 0.059 119.906 119.950 -0.172 0.000 2.219 701 F HA 0.215 4.791 4.527 0.082 0.000 0.294 701 F C 0.665 176.200 175.800 -0.442 0.000 1.086 701 F CA 0.758 58.562 58.000 -0.328 0.000 1.330 701 F CB 0.224 38.918 39.000 -0.510 0.000 1.047 701 F HN -0.058 nan 8.300 nan 0.000 0.495 702 F N 0.417 120.471 119.950 0.174 0.000 2.432 702 F HA 0.371 4.947 4.527 0.082 0.000 0.329 702 F C -1.268 174.569 175.800 0.061 0.000 1.076 702 F CA -2.506 55.552 58.000 0.096 0.000 1.018 702 F CB -0.068 39.003 39.000 0.118 0.000 1.201 702 F HN -0.276 nan 8.300 nan 0.000 0.489 703 P HA -0.088 nan 4.420 nan 0.000 0.218 703 P C -0.682 176.826 177.300 0.346 0.000 1.149 703 P CA 1.343 64.582 63.100 0.232 0.000 0.817 703 P CB 0.169 31.942 31.700 0.121 0.000 0.785 704 E N -2.494 117.846 120.200 0.234 0.000 2.435 704 E HA 0.244 4.643 4.350 0.082 0.000 0.272 704 E C -1.184 175.463 176.600 0.078 0.000 1.031 704 E CA -1.014 55.471 56.400 0.142 0.000 0.872 704 E CB -0.168 29.598 29.700 0.109 0.000 1.588 704 E HN -0.327 nan 8.360 nan 0.000 0.460 705 D N 1.853 122.259 120.400 0.011 0.000 2.554 705 D HA -0.013 4.676 4.640 0.082 0.000 0.251 705 D C -1.207 175.030 176.300 -0.106 0.000 1.213 705 D CA -1.461 52.512 54.000 -0.044 0.000 0.900 705 D CB 0.858 41.630 40.800 -0.046 0.000 1.135 705 D HN 0.171 nan 8.370 nan 0.000 0.522 706 P HA -0.120 nan 4.420 nan 0.000 0.226 706 P C 0.962 178.165 177.300 -0.162 0.000 1.153 706 P CA 0.611 63.482 63.100 -0.383 0.000 0.777 706 P CB -0.028 31.017 31.700 -1.092 0.000 0.794 707 S N -0.905 114.730 115.700 -0.109 0.000 2.607 707 S HA 0.017 4.536 4.470 0.082 0.000 0.224 707 S C 1.785 176.348 174.600 -0.061 0.000 0.969 707 S CA 0.112 58.291 58.200 -0.035 0.000 0.927 707 S CB -1.435 61.766 63.200 0.001 0.000 0.772 707 S HN 0.079 nan 8.310 nan 0.000 0.533 708 L N 0.642 121.815 121.223 -0.083 0.000 2.362 708 L HA 0.049 4.438 4.340 0.082 0.000 0.219 708 L C 2.891 179.681 176.870 -0.134 0.000 1.134 708 L CA 0.891 55.666 54.840 -0.109 0.000 0.807 708 L CB -0.604 41.398 42.059 -0.094 0.000 0.927 708 L HN 0.502 nan 8.230 nan 0.000 0.447 709 A N -0.947 121.809 122.820 -0.107 0.000 2.119 709 A HA -0.089 4.280 4.320 0.082 0.000 0.217 709 A C 1.541 179.053 177.584 -0.120 0.000 1.153 709 A CA 0.549 52.518 52.037 -0.113 0.000 0.692 709 A CB -0.284 18.660 19.000 -0.093 0.000 0.799 709 A HN 0.303 nan 8.150 nan 0.000 0.458 710 S N -0.122 115.517 115.700 -0.101 0.000 2.537 710 S HA 0.166 4.686 4.470 0.082 0.000 0.286 710 S C 0.905 175.446 174.600 -0.099 0.000 1.299 710 S CA -0.476 57.679 58.200 -0.074 0.000 1.067 710 S CB 0.226 63.407 63.200 -0.030 0.000 0.864 710 S HN 0.378 nan 8.310 nan 0.000 0.494 711 R N 2.904 123.380 120.500 -0.041 0.000 2.334 711 R HA 0.155 4.544 4.340 0.082 0.000 0.220 711 R C 0.376 176.753 176.300 0.129 0.000 0.917 711 R CA 0.066 56.176 56.100 0.017 0.000 1.073 711 R CB -0.476 29.875 30.300 0.085 0.000 1.056 711 R HN 0.632 nan 8.270 nan 0.000 0.506 712 D N 0.220 120.673 120.400 0.088 0.000 2.323 712 D HA -0.021 4.668 4.640 0.082 0.000 0.209 712 D C 0.068 176.459 176.300 0.152 0.000 0.973 712 D CA 0.588 54.664 54.000 0.126 0.000 0.874 712 D CB 0.143 41.005 40.800 0.104 0.000 0.930 712 D HN -0.014 nan 8.370 nan 0.000 0.521 713 T N 0.914 115.534 114.554 0.110 0.000 2.933 713 T HA 0.162 4.561 4.350 0.082 0.000 0.306 713 T C 0.331 175.206 174.700 0.291 0.000 1.045 713 T CA 0.072 62.240 62.100 0.114 0.000 1.143 713 T CB 1.400 70.241 68.868 -0.045 0.000 1.003 713 T HN -0.245 nan 8.240 nan 0.000 0.540 714 V N 4.891 124.945 119.914 0.233 0.000 2.540 714 V HA 0.524 4.693 4.120 0.082 0.000 0.302 714 V C -0.076 176.126 176.094 0.180 0.000 1.035 714 V CA -0.820 61.628 62.300 0.247 0.000 0.873 714 V CB 1.666 33.608 31.823 0.199 0.000 0.992 714 V HN 0.733 nan 8.190 nan 0.000 0.428 715 I N 4.452 125.109 120.570 0.145 0.000 2.436 715 I HA 0.515 4.734 4.170 0.082 0.000 0.289 715 I C -0.751 175.255 176.117 -0.184 0.000 1.010 715 I CA -0.942 60.312 61.300 -0.076 0.000 1.098 715 I CB 2.132 40.043 38.000 -0.147 0.000 1.266 715 I HN 0.243 nan 8.210 nan 0.000 0.434 716 V N 5.239 125.084 119.914 -0.116 0.000 2.370 716 V HA 0.339 4.508 4.120 0.082 0.000 0.283 716 V C -0.922 175.100 176.094 -0.120 0.000 1.023 716 V CA -0.412 61.907 62.300 0.033 0.000 0.857 716 V CB 0.919 32.922 31.823 0.299 0.000 0.985 716 V HN 0.585 nan 8.190 nan 0.000 0.443 717 W N 6.307 127.675 121.300 0.113 0.000 2.606 717 W HA 0.592 5.301 4.660 0.082 0.000 0.332 717 W C -2.250 174.265 176.519 -0.008 0.000 1.052 717 W CA -2.396 54.929 57.345 -0.033 0.000 1.223 717 W CB 1.179 30.681 29.460 0.070 0.000 1.383 717 W HN 0.291 nan 8.180 nan 0.000 0.524 718 P HA 0.281 nan 4.420 nan 0.000 0.277 718 P C -0.515 176.880 177.300 0.160 0.000 1.240 718 P CA -0.234 62.946 63.100 0.132 0.000 0.798 718 P CB 1.169 32.864 31.700 -0.009 0.000 0.979 719 R N 1.388 121.979 120.500 0.152 0.000 2.575 719 R HA 0.290 4.679 4.340 0.082 0.000 0.293 719 R C -0.754 175.591 176.300 0.075 0.000 0.983 719 R CA -0.790 55.370 56.100 0.099 0.000 0.887 719 R CB 1.199 31.559 30.300 0.099 0.000 1.184 719 R HN 0.457 nan 8.270 nan 0.000 0.445 720 D N 1.646 122.073 120.400 0.046 0.000 2.451 720 D HA 0.032 4.721 4.640 0.082 0.000 0.254 720 D C 1.231 177.553 176.300 0.036 0.000 1.204 720 D CA 1.340 55.363 54.000 0.038 0.000 0.896 720 D CB 0.111 40.924 40.800 0.021 0.000 1.136 720 D HN 0.773 nan 8.370 nan 0.000 0.499 721 N N 0.842 119.567 118.700 0.042 0.000 2.741 721 N HA -0.093 4.696 4.740 0.082 0.000 0.250 721 N C 0.605 176.137 175.510 0.037 0.000 1.115 721 N CA 1.105 54.176 53.050 0.035 0.000 0.724 721 N CB -1.596 36.906 38.487 0.024 0.000 1.090 721 N HN 0.793 nan 8.380 nan 0.000 0.558 722 G N -1.749 107.082 108.800 0.051 0.000 2.687 722 G HA2 0.814 4.823 3.960 0.082 0.000 0.291 722 G HA3 0.814 4.823 3.960 0.082 0.000 0.291 722 G C -2.873 172.073 174.900 0.078 0.000 1.420 722 G CA -0.027 45.105 45.100 0.054 0.000 0.796 722 G HN 0.398 nan 8.290 nan 0.000 0.485 723 P HA 0.235 nan 4.420 nan 0.000 0.272 723 P C -0.153 177.236 177.300 0.149 0.000 1.240 723 P CA -0.505 62.656 63.100 0.102 0.000 0.791 723 P CB 0.493 32.244 31.700 0.084 0.000 0.978 724 N N -0.271 118.539 118.700 0.183 0.000 2.453 724 N HA 0.020 4.809 4.740 0.082 0.000 0.253 724 N C -0.646 175.037 175.510 0.288 0.000 1.252 724 N CA -0.197 53.011 53.050 0.262 0.000 0.917 724 N CB 0.057 38.728 38.487 0.308 0.000 1.117 724 N HN 0.446 nan 8.380 nan 0.000 0.442 725 Y N 2.090 122.507 120.300 0.195 0.000 2.404 725 Y HA 0.272 4.871 4.550 0.082 0.000 0.344 725 Y C -0.768 175.268 175.900 0.227 0.000 0.995 725 Y CA -0.961 57.245 58.100 0.176 0.000 1.201 725 Y CB 0.313 38.869 38.460 0.160 0.000 1.151 725 Y HN 0.184 nan 8.280 nan 0.000 0.517 726 V N 8.085 127.923 119.914 -0.128 0.000 2.304 726 V HA 0.159 4.328 4.120 0.082 0.000 0.262 726 V C 0.032 175.798 176.094 -0.545 0.000 1.061 726 V CA -0.555 61.613 62.300 -0.220 0.000 0.872 726 V CB 0.517 32.309 31.823 -0.051 0.000 1.077 726 V HN 0.741 nan 8.190 nan 0.000 0.480 727 Q N 5.687 125.076 119.800 -0.686 0.000 2.288 727 Q HA 0.478 4.867 4.340 0.082 0.000 0.258 727 Q C -0.320 175.369 176.000 -0.518 0.000 0.957 727 Q CA -0.237 55.102 55.803 -0.772 0.000 0.919 727 Q CB 0.747 29.177 28.738 -0.513 0.000 1.185 727 Q HN 0.695 nan 8.270 nan 0.000 0.408 728 R N 2.829 122.975 120.500 -0.590 0.000 2.867 728 R HA 0.381 4.770 4.340 0.082 0.000 0.268 728 R C -0.240 175.753 176.300 -0.512 0.000 1.014 728 R CA -0.647 55.267 56.100 -0.310 0.000 0.946 728 R CB 1.249 31.489 30.300 -0.100 0.000 1.208 728 R HN 0.758 nan 8.270 nan 0.000 0.477 729 W N 0.877 122.193 121.300 0.027 0.000 2.714 729 W HA 0.393 5.102 4.660 0.082 0.000 0.353 729 W C -0.265 176.265 176.519 0.017 0.000 0.999 729 W CA 0.051 57.412 57.345 0.026 0.000 1.629 729 W CB 0.828 30.302 29.460 0.025 0.000 1.106 729 W HN 0.297 nan 8.180 nan 0.000 0.545 730 I N 1.130 121.809 120.570 0.181 0.000 2.686 730 I HA 0.267 4.486 4.170 0.082 0.000 0.295 730 I C -2.240 173.907 176.117 0.051 0.000 1.114 730 I CA -1.954 59.404 61.300 0.097 0.000 1.038 730 I CB 2.418 40.475 38.000 0.095 0.000 1.238 730 I HN -0.480 nan 8.210 nan 0.000 0.420 731 P HA 0.079 nan 4.420 nan 0.000 0.269 731 P C -0.515 176.799 177.300 0.023 0.000 1.215 731 P CA -0.295 62.810 63.100 0.009 0.000 0.780 731 P CB 0.518 32.215 31.700 -0.005 0.000 0.898 732 E N 1.336 121.553 120.200 0.028 0.000 2.452 732 E HA -0.022 4.377 4.350 0.082 0.000 0.261 732 E C -0.630 176.003 176.600 0.054 0.000 0.987 732 E CA 0.124 56.550 56.400 0.044 0.000 0.926 732 E CB 0.213 29.936 29.700 0.038 0.000 0.934 732 E HN 0.359 nan 8.360 nan 0.000 0.452 733 D N 2.768 123.215 120.400 0.080 0.000 2.649 733 D HA 0.266 4.955 4.640 0.082 0.000 0.249 733 D C -0.539 175.827 176.300 0.111 0.000 1.112 733 D CA -0.566 53.508 54.000 0.124 0.000 0.850 733 D CB 0.943 41.863 40.800 0.200 0.000 1.399 733 D HN 0.433 nan 8.370 nan 0.000 0.503 734 R N 2.159 122.719 120.500 0.099 0.000 2.590 734 R HA 0.234 4.623 4.340 0.082 0.000 0.410 734 R C -0.656 175.677 176.300 0.055 0.000 1.010 734 R CA -0.580 55.560 56.100 0.067 0.000 1.155 734 R CB 0.545 30.875 30.300 0.049 0.000 1.455 734 R HN 0.375 nan 8.270 nan 0.000 0.567 735 D N 0.646 121.088 120.400 0.070 0.000 2.414 735 D HA 0.024 4.713 4.640 0.082 0.000 0.242 735 D C -0.408 175.876 176.300 -0.027 0.000 1.129 735 D CA 0.176 54.187 54.000 0.019 0.000 0.885 735 D CB 1.217 42.016 40.800 -0.002 0.000 1.198 735 D HN 0.056 nan 8.370 nan 0.000 0.437 736 C N 1.810 121.095 119.300 -0.025 0.000 2.561 736 C HA 0.777 5.287 4.460 0.082 0.000 0.319 736 C C -0.379 174.589 174.990 -0.036 0.000 1.198 736 C CA -0.214 58.787 59.018 -0.028 0.000 1.665 736 C CB 0.334 28.069 27.740 -0.007 0.000 2.258 736 C HN 0.724 nan 8.230 nan 0.000 0.493 737 S N 4.985 120.664 115.700 -0.036 0.000 2.638 737 S HA 0.729 5.248 4.470 0.082 0.000 0.274 737 S C -1.072 173.522 174.600 -0.009 0.000 1.157 737 S CA -0.826 57.358 58.200 -0.026 0.000 0.826 737 S CB 1.191 64.365 63.200 -0.043 0.000 1.139 737 S HN 0.789 nan 8.310 nan 0.000 0.474 738 M N 2.129 121.730 119.600 0.001 0.000 2.367 738 M HA 0.506 5.035 4.480 0.082 0.000 0.339 738 M C -2.212 174.100 176.300 0.020 0.000 1.177 738 M CA -1.682 53.626 55.300 0.012 0.000 1.068 738 M CB 0.750 33.359 32.600 0.015 0.000 1.602 738 M HN 0.631 nan 8.290 nan 0.000 0.457 739 P HA 0.509 nan 4.420 nan 0.000 0.281 739 P C -2.717 174.612 177.300 0.048 0.000 1.281 739 P CA -1.365 61.764 63.100 0.047 0.000 0.811 739 P CB -0.793 30.945 31.700 0.063 0.000 1.154 740 P HA 0.161 nan 4.420 nan 0.000 0.266 740 P C -2.209 175.117 177.300 0.043 0.000 1.193 740 P CA -0.295 62.827 63.100 0.037 0.000 0.770 740 P CB -1.307 30.410 31.700 0.029 0.000 0.836 741 P HA 0.072 nan 4.420 nan 0.000 0.269 741 P C -0.438 176.908 177.300 0.076 0.000 1.215 741 P CA -0.227 62.912 63.100 0.066 0.000 0.780 741 P CB 0.248 31.977 31.700 0.049 0.000 0.898 742 F N 2.154 122.097 119.950 -0.011 0.000 2.572 742 F HA 0.285 4.861 4.527 0.082 0.000 0.370 742 F C 0.441 176.235 175.800 -0.010 0.000 1.103 742 F CA 0.878 58.867 58.000 -0.017 0.000 1.286 742 F CB 0.281 39.272 39.000 -0.015 0.000 1.105 742 F HN 0.376 nan 8.300 nan 0.000 0.583 743 S N 5.368 120.579 115.700 -0.814 0.000 2.579 743 S HA 0.637 5.156 4.470 0.082 0.000 0.272 743 S C -1.744 172.392 174.600 -0.773 0.000 1.141 743 S CA -0.743 57.108 58.200 -0.581 0.000 0.843 743 S CB 1.855 64.891 63.200 -0.274 0.000 1.122 743 S HN 0.774 nan 8.310 nan 0.000 0.468 744 Y N 1.486 121.492 120.300 -0.489 0.000 2.442 744 Y HA 0.462 5.061 4.550 0.082 0.000 0.330 744 Y C 0.369 176.189 175.900 -0.132 0.000 1.100 744 Y CA -0.686 57.228 58.100 -0.310 0.000 1.034 744 Y CB 1.898 40.258 38.460 -0.166 0.000 1.285 744 Y HN 0.879 nan 8.280 nan 0.000 0.440 745 N N 2.351 120.810 118.700 -0.402 0.000 2.414 745 N HA 0.086 4.875 4.740 0.082 0.000 0.189 745 N C 1.297 176.729 175.510 -0.129 0.000 1.039 745 N CA 1.578 54.502 53.050 -0.209 0.000 0.889 745 N CB 0.413 38.773 38.487 -0.211 0.000 1.085 745 N HN 1.120 nan 8.380 nan 0.000 0.442 746 G N 0.387 109.029 108.800 -0.263 0.000 2.199 746 G HA2 -0.254 3.755 3.960 0.082 0.000 0.254 746 G HA3 -0.254 3.755 3.960 0.082 0.000 0.254 746 G C 0.294 175.236 174.900 0.071 0.000 0.982 746 G CA 1.084 46.186 45.100 0.003 0.000 0.632 746 G HN 0.748 nan 8.290 nan 0.000 0.529 747 T N -1.172 113.374 114.554 -0.014 0.000 2.945 747 T HA 0.727 5.126 4.350 0.082 0.000 0.286 747 T C -0.457 174.222 174.700 -0.035 0.000 1.025 747 T CA -0.236 61.804 62.100 -0.100 0.000 1.039 747 T CB 1.916 70.692 68.868 -0.154 0.000 1.068 747 T HN 1.302 nan 8.240 nan 0.000 0.497 748 Y N -0.165 120.036 120.300 -0.165 0.000 2.315 748 Y HA 0.801 5.399 4.550 0.081 0.000 0.324 748 Y C -0.486 175.309 175.900 -0.175 0.000 1.062 748 Y CA -1.365 56.552 58.100 -0.305 0.000 1.159 748 Y CB 1.184 39.206 38.460 -0.731 0.000 1.145 748 Y HN 0.519 nan 8.280 nan 0.000 0.442 749 R N 2.055 122.512 120.500 -0.072 0.000 2.836 749 R HA 0.563 4.952 4.340 0.082 0.000 0.269 749 R C -3.194 173.158 176.300 0.086 0.000 1.010 749 R CA -2.392 53.688 56.100 -0.033 0.000 0.930 749 R CB 1.877 32.140 30.300 -0.061 0.000 1.218 749 R HN 0.402 nan 8.270 nan 0.000 0.473 750 P HA 0.173 nan 4.420 nan 0.000 0.269 750 P C -0.385 177.005 177.300 0.151 0.000 1.215 750 P CA -0.243 62.958 63.100 0.169 0.000 0.780 750 P CB 0.641 32.403 31.700 0.103 0.000 0.898 751 V N 0.000 120.049 119.914 0.225 0.000 2.409 751 V HA 0.000 4.169 4.120 0.082 0.000 0.244 751 V CA 0.000 62.387 62.300 0.145 0.000 1.235 751 V CB 0.000 31.951 31.823 0.213 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556