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 3h5u_1_B DATA FIRST_RESID 1 DATA SEQUENCE HMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASRLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.303 175.328 -0.041 0.000 0.993 1 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 1 H CB 0.000 29.751 29.762 -0.019 0.000 1.292 2 M N 1.268 120.867 119.600 -0.001 0.000 2.233 2 M HA 0.108 4.588 4.480 0.000 0.000 0.350 2 M C 1.861 178.075 176.300 -0.144 0.000 1.176 2 M CA 0.139 55.412 55.300 -0.044 0.000 1.150 2 M CB 1.064 33.640 32.600 -0.040 0.000 1.530 2 M HN 0.375 nan 8.290 nan 0.000 0.459 3 S N 2.134 117.681 115.700 -0.256 0.000 2.382 3 S HA -0.088 4.382 4.470 0.000 0.000 0.228 3 S C 0.065 174.253 174.600 -0.687 0.000 1.027 3 S CA 0.995 58.914 58.200 -0.470 0.000 0.991 3 S CB -0.232 62.618 63.200 -0.583 0.000 0.823 3 S HN 0.656 nan 8.310 nan 0.000 0.469 4 Y N 0.580 120.708 120.300 -0.286 0.000 2.571 4 Y HA 0.549 5.099 4.550 0.000 0.000 0.341 4 Y C -0.148 175.421 175.900 -0.553 0.000 1.076 4 Y CA -0.968 56.822 58.100 -0.517 0.000 1.029 4 Y CB 1.882 39.816 38.460 -0.876 0.000 1.308 4 Y HN 0.111 nan 8.280 nan 0.000 0.461 5 T N -2.359 111.921 114.554 -0.457 0.000 2.893 5 T HA 0.716 5.066 4.350 0.000 0.000 0.291 5 T C -1.369 173.040 174.700 -0.485 0.000 1.028 5 T CA -0.831 61.055 62.100 -0.357 0.000 0.995 5 T CB 1.253 70.047 68.868 -0.124 0.000 1.051 5 T HN 0.548 nan 8.240 nan 0.000 0.470 6 W N 0.847 122.199 121.300 0.086 0.000 2.736 6 W HA 0.473 5.133 4.660 0.000 0.000 0.335 6 W C 1.462 178.007 176.519 0.043 0.000 1.059 6 W CA -0.812 56.569 57.345 0.060 0.000 1.226 6 W CB 2.031 31.509 29.460 0.031 0.000 1.416 6 W HN 0.911 nan 8.180 nan 0.000 0.505 7 T N -2.111 112.621 114.554 0.296 0.000 3.043 7 T HA 0.246 4.596 4.350 0.000 0.000 0.263 7 T C 1.544 176.326 174.700 0.137 0.000 1.094 7 T CA 0.990 63.192 62.100 0.171 0.000 1.127 7 T CB -0.148 68.798 68.868 0.131 0.000 0.905 7 T HN 1.279 nan 8.240 nan 0.000 0.490 8 G N 1.314 110.201 108.800 0.145 0.000 2.194 8 G HA2 -0.025 3.935 3.960 0.000 0.000 0.236 8 G HA3 -0.025 3.935 3.960 0.000 0.000 0.236 8 G C 0.365 175.284 174.900 0.032 0.000 0.987 8 G CA -0.070 45.066 45.100 0.060 0.000 0.635 8 G HN 1.180 nan 8.290 nan 0.000 0.520 9 A N 0.525 123.377 122.820 0.054 0.000 2.483 9 A HA 0.614 4.934 4.320 0.000 0.000 0.238 9 A C 0.821 178.409 177.584 0.006 0.000 1.070 9 A CA 0.269 52.327 52.037 0.034 0.000 0.770 9 A CB 0.223 19.253 19.000 0.050 0.000 1.008 9 A HN 0.905 nan 8.150 nan 0.000 0.497 10 L N 1.821 123.037 121.223 -0.011 0.000 2.418 10 L HA 0.260 4.600 4.340 0.000 0.000 0.265 10 L C 0.117 176.968 176.870 -0.032 0.000 1.143 10 L CA -0.253 54.564 54.840 -0.039 0.000 0.809 10 L CB 0.736 42.777 42.059 -0.030 0.000 1.124 10 L HN 0.557 nan 8.230 nan 0.000 0.456 11 I N 1.854 122.388 120.570 -0.060 0.000 2.379 11 I HA 0.091 4.261 4.170 0.000 0.000 0.290 11 I C 0.466 176.572 176.117 -0.018 0.000 1.063 11 I CA -0.037 61.241 61.300 -0.037 0.000 1.351 11 I CB 0.709 38.670 38.000 -0.065 0.000 1.410 11 I HN 0.646 nan 8.210 nan 0.000 0.505 12 T N 4.925 119.479 114.554 -0.001 0.000 2.925 12 T HA 0.595 4.946 4.350 0.000 0.000 0.285 12 T C -2.560 172.153 174.700 0.021 0.000 1.021 12 T CA -2.158 59.946 62.100 0.007 0.000 1.042 12 T CB 1.903 70.775 68.868 0.006 0.000 1.037 12 T HN 0.233 nan 8.240 nan 0.000 0.481 13 P HA 0.290 nan 4.420 nan 0.000 0.276 13 P C 0.588 177.910 177.300 0.036 0.000 1.261 13 P CA -0.766 62.355 63.100 0.035 0.000 0.800 13 P CB 0.596 32.317 31.700 0.035 0.000 1.066 14 C N -1.690 117.636 119.300 0.043 0.000 3.104 14 C HA 0.844 5.305 4.460 0.000 0.000 0.284 14 C C 0.549 175.560 174.990 0.036 0.000 1.326 14 C CA -0.260 58.782 59.018 0.040 0.000 1.725 14 C CB -1.085 26.686 27.740 0.052 0.000 2.156 14 C HN 0.688 nan 8.230 nan 0.000 0.638 15 A N 0.236 123.079 122.820 0.038 0.000 2.540 15 A HA 0.803 5.123 4.320 0.000 0.000 0.291 15 A C -0.468 177.143 177.584 0.045 0.000 1.083 15 A CA 0.057 52.118 52.037 0.039 0.000 0.650 15 A CB -0.255 18.770 19.000 0.042 0.000 1.292 15 A HN 1.442 nan 8.150 nan 0.000 0.435 16 A N 0.015 122.863 122.820 0.048 0.000 2.483 16 A HA 0.550 4.870 4.320 0.000 0.000 0.238 16 A C 0.044 177.672 177.584 0.073 0.000 1.070 16 A CA 0.439 52.509 52.037 0.055 0.000 0.770 16 A CB -0.134 18.897 19.000 0.052 0.000 1.008 16 A HN 0.657 nan 8.150 nan 0.000 0.497 17 E N 0.687 120.936 120.200 0.081 0.000 2.238 17 E HA 0.408 4.758 4.350 0.000 0.000 0.267 17 E C -1.160 175.524 176.600 0.140 0.000 0.887 17 E CA -0.469 55.995 56.400 0.107 0.000 0.769 17 E CB 1.968 31.719 29.700 0.085 0.000 1.187 17 E HN 0.755 nan 8.360 nan 0.000 0.416 18 E N 0.700 121.031 120.200 0.219 0.000 2.183 18 E HA 0.196 4.546 4.350 0.000 0.000 0.271 18 E C 0.025 176.857 176.600 0.387 0.000 0.919 18 E CA -0.253 56.319 56.400 0.285 0.000 0.781 18 E CB 1.640 31.535 29.700 0.325 0.000 1.140 18 E HN 0.541 nan 8.360 nan 0.000 0.402 19 S N 2.066 117.962 115.700 0.327 0.000 2.527 19 S HA 0.131 4.601 4.470 0.000 0.000 0.227 19 S C 0.717 175.592 174.600 0.458 0.000 1.059 19 S CA -0.123 58.291 58.200 0.356 0.000 0.919 19 S CB 0.310 63.646 63.200 0.226 0.000 0.805 19 S HN 0.169 nan 8.310 nan 0.000 0.500 20 K N 1.945 122.534 120.400 0.315 0.000 2.218 20 K HA 0.315 4.636 4.320 0.000 0.000 0.276 20 K C -0.528 176.119 176.600 0.078 0.000 1.022 20 K CA -0.682 55.736 56.287 0.219 0.000 0.946 20 K CB 1.231 33.793 32.500 0.103 0.000 1.000 20 K HN 0.297 nan 8.250 nan 0.000 0.468 21 L N 5.869 127.126 121.223 0.056 0.000 2.615 21 L HA 0.038 4.378 4.340 0.000 0.000 0.271 21 L C -2.182 174.422 176.870 -0.443 0.000 1.183 21 L CA -0.698 53.976 54.840 -0.277 0.000 0.933 21 L CB -0.209 41.840 42.059 -0.015 0.000 1.199 21 L HN 0.370 nan 8.230 nan 0.000 0.487 22 P HA 0.218 nan 4.420 nan 0.000 0.276 22 P C -0.920 176.142 177.300 -0.396 0.000 1.230 22 P CA -0.142 62.666 63.100 -0.487 0.000 0.776 22 P CB 0.633 32.004 31.700 -0.548 0.000 0.888 23 I N 3.558 123.949 120.570 -0.297 0.000 2.377 23 I HA 0.333 4.503 4.170 0.000 0.000 0.293 23 I C 0.699 176.706 176.117 -0.183 0.000 0.987 23 I CA -0.527 60.603 61.300 -0.283 0.000 1.185 23 I CB 1.180 39.006 38.000 -0.290 0.000 1.341 23 I HN 0.483 nan 8.210 nan 0.000 0.455 24 N N 4.605 123.216 118.700 -0.149 0.000 3.201 24 N HA 0.444 5.184 4.740 0.000 0.000 0.344 24 N C 0.453 175.926 175.510 -0.063 0.000 1.465 24 N CA -0.366 52.626 53.050 -0.096 0.000 0.731 24 N CB 0.538 38.969 38.487 -0.094 0.000 1.677 24 N HN 0.371 nan 8.380 nan 0.000 0.631 25 A N -0.558 122.236 122.820 -0.044 0.000 2.067 25 A HA 0.124 4.444 4.320 0.000 0.000 0.219 25 A C 1.871 179.444 177.584 -0.018 0.000 1.158 25 A CA 0.892 52.913 52.037 -0.027 0.000 0.661 25 A CB -0.920 18.067 19.000 -0.023 0.000 0.801 25 A HN 0.541 nan 8.150 nan 0.000 0.452 26 L N -1.095 120.115 121.223 -0.022 0.000 2.416 26 L HA 0.005 4.346 4.340 0.000 0.000 0.216 26 L C 2.495 179.397 176.870 0.054 0.000 1.098 26 L CA 0.612 55.455 54.840 0.005 0.000 0.840 26 L CB -0.316 41.722 42.059 -0.034 0.000 0.981 26 L HN 0.212 nan 8.230 nan 0.000 0.462 27 S N 0.791 116.498 115.700 0.013 0.000 2.365 27 S HA -0.174 4.296 4.470 0.000 0.000 0.225 27 S C 1.701 176.357 174.600 0.094 0.000 1.039 27 S CA 1.670 59.881 58.200 0.018 0.000 1.033 27 S CB -0.339 62.796 63.200 -0.109 0.000 0.887 27 S HN 0.460 nan 8.310 nan 0.000 0.447 28 N N 1.385 120.149 118.700 0.107 0.000 2.453 28 N HA -0.030 4.710 4.740 0.000 0.000 0.183 28 N C 1.793 177.337 175.510 0.055 0.000 1.041 28 N CA 1.098 54.222 53.050 0.123 0.000 0.900 28 N CB -0.421 38.124 38.487 0.097 0.000 0.961 28 N HN 0.590 nan 8.380 nan 0.000 0.443 29 S N -0.649 115.081 115.700 0.050 0.000 2.489 29 S HA 0.009 4.479 4.470 0.000 0.000 0.228 29 S C 1.711 176.345 174.600 0.058 0.000 0.995 29 S CA 0.220 58.428 58.200 0.013 0.000 0.934 29 S CB -0.050 63.166 63.200 0.028 0.000 0.771 29 S HN 0.184 nan 8.310 nan 0.000 0.522 30 L N 0.074 121.347 121.223 0.082 0.000 2.262 30 L HA 0.599 4.939 4.340 0.000 0.000 0.197 30 L C 0.140 177.064 176.870 0.090 0.000 1.073 30 L CA 0.925 55.799 54.840 0.057 0.000 0.800 30 L CB 0.136 42.010 42.059 -0.307 0.000 0.987 30 L HN 0.500 nan 8.230 nan 0.000 0.470 31 L N -0.815 120.451 121.223 0.070 0.000 2.505 31 L HA 0.402 4.742 4.340 0.000 0.000 0.266 31 L C 0.293 177.209 176.870 0.075 0.000 0.954 31 L CA -0.440 54.437 54.840 0.061 0.000 0.852 31 L CB 1.402 43.517 42.059 0.094 0.000 1.282 31 L HN -0.026 nan 8.230 nan 0.000 0.403 32 R N 1.486 121.928 120.500 -0.097 0.000 2.225 32 R HA 0.177 4.517 4.340 0.000 0.000 0.194 32 R C -0.034 176.060 176.300 -0.344 0.000 0.957 32 R CA 0.234 56.195 56.100 -0.231 0.000 1.042 32 R CB 0.179 30.379 30.300 -0.166 0.000 1.004 32 R HN 0.667 nan 8.270 nan 0.000 0.509 33 H N 0.757 119.713 119.070 -0.190 0.000 2.745 33 H HA 0.123 4.679 4.556 0.000 0.000 0.235 33 H C 0.518 175.834 175.328 -0.021 0.000 1.815 33 H CA -0.270 55.701 56.048 -0.128 0.000 1.321 33 H CB -0.012 29.731 29.762 -0.032 0.000 1.716 33 H HN 0.317 nan 8.280 nan 0.000 0.546 34 H N 0.345 119.507 119.070 0.155 0.000 2.456 34 H HA -0.118 4.438 4.556 0.000 0.000 0.296 34 H C 1.547 176.951 175.328 0.127 0.000 1.079 34 H CA 0.398 56.514 56.048 0.113 0.000 1.322 34 H CB 0.357 30.160 29.762 0.068 0.000 1.388 34 H HN 0.448 nan 8.280 nan 0.000 0.538 35 N N 0.248 119.070 118.700 0.205 0.000 2.453 35 N HA -0.085 4.656 4.740 0.000 0.000 0.183 35 N C 1.256 176.874 175.510 0.180 0.000 1.041 35 N CA 0.775 53.921 53.050 0.160 0.000 0.900 35 N CB 0.065 38.604 38.487 0.086 0.000 0.961 35 N HN 0.415 nan 8.380 nan 0.000 0.443 36 M N -0.281 119.436 119.600 0.196 0.000 2.558 36 M HA 0.125 4.605 4.480 0.000 0.000 0.255 36 M C 0.044 176.508 176.300 0.274 0.000 1.113 36 M CA 0.322 55.746 55.300 0.207 0.000 1.097 36 M CB 0.005 32.713 32.600 0.180 0.000 1.426 36 M HN -0.254 nan 8.290 nan 0.000 0.488 37 V N 1.472 121.558 119.914 0.288 0.000 2.459 37 V HA 0.418 4.538 4.120 0.000 0.000 0.295 37 V C -0.781 175.555 176.094 0.405 0.000 1.029 37 V CA -0.823 61.648 62.300 0.285 0.000 0.874 37 V CB 1.184 33.162 31.823 0.258 0.000 0.985 37 V HN 0.400 nan 8.190 nan 0.000 0.438 38 Y N 2.427 122.886 120.300 0.265 0.000 2.597 38 Y HA 0.925 5.475 4.550 0.000 0.000 0.340 38 Y C -0.442 175.533 175.900 0.124 0.000 1.097 38 Y CA -1.377 56.885 58.100 0.271 0.000 1.037 38 Y CB 1.560 40.135 38.460 0.192 0.000 1.305 38 Y HN 0.710 nan 8.280 nan 0.000 0.463 39 A N 1.410 124.307 122.820 0.128 0.000 2.337 39 A HA 0.691 5.011 4.320 0.000 0.000 0.329 39 A C -0.129 177.551 177.584 0.159 0.000 1.146 39 A CA -0.382 51.522 52.037 -0.222 0.000 0.800 39 A CB 0.521 19.085 19.000 -0.726 0.000 1.220 39 A HN 1.057 nan 8.150 nan 0.000 0.472 40 T N 0.013 114.650 114.554 0.139 0.000 2.913 40 T HA 0.560 4.910 4.350 0.000 0.000 0.297 40 T C 0.372 175.131 174.700 0.098 0.000 1.029 40 T CA 0.322 62.541 62.100 0.198 0.000 1.104 40 T CB 0.742 69.739 68.868 0.215 0.000 0.964 40 T HN 1.287 nan 8.240 nan 0.000 0.532 41 T N -1.726 112.886 114.554 0.096 0.000 2.907 41 T HA 0.475 4.825 4.350 0.000 0.000 0.290 41 T C 1.451 176.179 174.700 0.047 0.000 1.066 41 T CA -0.282 61.858 62.100 0.067 0.000 1.012 41 T CB 1.356 70.268 68.868 0.074 0.000 1.184 41 T HN 0.731 nan 8.240 nan 0.000 0.522 42 S N 0.052 115.773 115.700 0.035 0.000 2.465 42 S HA -0.184 4.286 4.470 0.000 0.000 0.241 42 S C 1.871 176.471 174.600 0.000 0.000 1.000 42 S CA 0.779 58.988 58.200 0.016 0.000 0.964 42 S CB -0.730 62.479 63.200 0.016 0.000 0.763 42 S HN 0.759 nan 8.310 nan 0.000 0.512 43 R N 1.601 122.108 120.500 0.011 0.000 2.127 43 R HA -0.098 4.242 4.340 0.000 0.000 0.238 43 R C 2.014 178.306 176.300 -0.014 0.000 1.134 43 R CA 1.686 57.786 56.100 0.000 0.000 0.975 43 R CB -0.438 29.870 30.300 0.014 0.000 0.865 43 R HN 0.689 nan 8.270 nan 0.000 0.447 44 S N -1.145 114.551 115.700 -0.006 0.000 2.575 44 S HA 0.166 4.636 4.470 0.000 0.000 0.215 44 S C 1.789 176.364 174.600 -0.042 0.000 0.966 44 S CA 0.289 58.477 58.200 -0.019 0.000 0.911 44 S CB 0.749 63.950 63.200 0.001 0.000 0.780 44 S HN 0.360 nan 8.310 nan 0.000 0.514 45 A N 2.137 124.926 122.820 -0.053 0.000 1.940 45 A HA 0.118 4.438 4.320 0.000 0.000 0.219 45 A C 2.297 179.780 177.584 -0.169 0.000 1.176 45 A CA 1.576 53.558 52.037 -0.093 0.000 0.631 45 A CB -1.700 17.247 19.000 -0.089 0.000 0.814 45 A HN 0.654 nan 8.150 nan 0.000 0.446 46 G N -0.601 108.101 108.800 -0.164 0.000 2.450 46 G HA2 -0.191 3.769 3.960 0.000 0.000 0.220 46 G HA3 -0.191 3.769 3.960 0.000 0.000 0.220 46 G C 1.511 176.308 174.900 -0.172 0.000 1.130 46 G CA 0.946 45.923 45.100 -0.204 0.000 0.760 46 G HN 0.451 nan 8.290 nan 0.000 0.557 47 L N -0.385 120.772 121.223 -0.110 0.000 2.131 47 L HA 0.087 4.427 4.340 0.000 0.000 0.206 47 L C 2.930 179.762 176.870 -0.064 0.000 1.087 47 L CA 1.140 55.936 54.840 -0.073 0.000 0.767 47 L CB -0.176 41.854 42.059 -0.047 0.000 0.917 47 L HN 0.208 nan 8.230 nan 0.000 0.441 48 R N 0.228 120.683 120.500 -0.075 0.000 2.075 48 R HA -0.175 4.165 4.340 0.000 0.000 0.232 48 R C 2.199 178.450 176.300 -0.081 0.000 1.126 48 R CA 1.619 57.690 56.100 -0.048 0.000 0.963 48 R CB -0.423 29.853 30.300 -0.040 0.000 0.858 48 R HN 0.403 nan 8.270 nan 0.000 0.435 49 Q N 0.131 119.793 119.800 -0.230 0.000 2.096 49 Q HA -0.234 4.106 4.340 0.000 0.000 0.208 49 Q C 1.991 177.923 176.000 -0.114 0.000 0.993 49 Q CA 2.373 57.939 55.803 -0.394 0.000 0.862 49 Q CB -0.147 28.034 28.738 -0.929 0.000 0.915 49 Q HN 0.333 nan 8.270 nan 0.000 0.416 50 K N 0.608 120.955 120.400 -0.088 0.000 2.057 50 K HA -0.156 4.165 4.320 0.000 0.000 0.207 50 K C 2.016 178.691 176.600 0.126 0.000 1.049 50 K CA 1.327 57.633 56.287 0.033 0.000 0.931 50 K CB -0.025 32.478 32.500 0.005 0.000 0.714 50 K HN 0.087 nan 8.250 nan 0.000 0.440 51 K N 0.575 121.039 120.400 0.107 0.000 2.097 51 K HA -0.078 4.242 4.320 0.000 0.000 0.205 51 K C 1.929 178.719 176.600 0.317 0.000 1.050 51 K CA 1.397 57.788 56.287 0.173 0.000 0.938 51 K CB 0.024 32.594 32.500 0.117 0.000 0.718 51 K HN 0.130 nan 8.250 nan 0.000 0.442 52 V N -1.201 118.876 119.914 0.271 0.000 3.623 52 V HA 0.054 4.174 4.120 0.000 0.000 0.271 52 V C 0.250 176.479 176.094 0.225 0.000 1.248 52 V CA 0.249 62.740 62.300 0.318 0.000 1.156 52 V CB -0.211 31.751 31.823 0.232 0.000 0.870 52 V HN -0.041 nan 8.190 nan 0.000 0.453 53 T N 4.193 118.926 114.554 0.299 0.000 2.770 53 T HA 0.733 5.084 4.350 0.000 0.000 0.297 53 T C -0.776 174.068 174.700 0.241 0.000 0.997 53 T CA -0.068 62.182 62.100 0.250 0.000 0.949 53 T CB 0.425 69.555 68.868 0.436 0.000 0.941 53 T HN 0.623 nan 8.240 nan 0.000 0.457 54 F N -0.142 119.917 119.950 0.181 0.000 2.773 54 F HA 0.677 5.204 4.527 0.000 0.000 0.314 54 F C -1.236 174.616 175.800 0.087 0.000 1.160 54 F CA -1.709 56.362 58.000 0.118 0.000 0.920 54 F CB 0.704 39.764 39.000 0.100 0.000 1.323 54 F HN 0.209 nan 8.300 nan 0.000 0.457 55 D N 0.601 121.206 120.400 0.342 0.000 2.256 55 D HA 0.508 5.149 4.640 0.000 0.000 0.250 55 D C -0.967 175.501 176.300 0.280 0.000 1.093 55 D CA -0.106 54.027 54.000 0.222 0.000 0.882 55 D CB 0.926 41.827 40.800 0.169 0.000 1.185 55 D HN 0.559 nan 8.370 nan 0.000 0.437 56 R N 2.776 123.394 120.500 0.197 0.000 2.343 56 R HA 0.495 4.836 4.340 0.000 0.000 0.320 56 R C -0.921 175.407 176.300 0.046 0.000 0.956 56 R CA -0.693 55.495 56.100 0.148 0.000 0.836 56 R CB 0.973 31.329 30.300 0.093 0.000 1.151 56 R HN 0.320 nan 8.270 nan 0.000 0.450 57 L N 2.526 123.761 121.223 0.021 0.000 2.329 57 L HA 0.511 4.851 4.340 0.000 0.000 0.279 57 L C -0.268 176.564 176.870 -0.063 0.000 1.014 57 L CA -0.378 54.431 54.840 -0.053 0.000 0.814 57 L CB 1.747 43.800 42.059 -0.011 0.000 1.257 57 L HN 0.594 nan 8.230 nan 0.000 0.424 58 Q N 1.788 121.522 119.800 -0.110 0.000 2.321 58 Q HA 0.585 4.925 4.340 0.000 0.000 0.270 58 Q C -1.342 174.602 176.000 -0.094 0.000 1.032 58 Q CA -0.532 55.214 55.803 -0.095 0.000 0.784 58 Q CB 3.127 31.785 28.738 -0.134 0.000 1.264 58 Q HN 0.352 nan 8.270 nan 0.000 0.448 59 V N 4.978 124.857 119.914 -0.059 0.000 2.350 59 V HA 0.415 4.535 4.120 0.000 0.000 0.285 59 V C -0.507 175.580 176.094 -0.012 0.000 1.014 59 V CA -0.534 61.736 62.300 -0.050 0.000 0.831 59 V CB 1.183 32.979 31.823 -0.044 0.000 1.000 59 V HN 0.627 nan 8.190 nan 0.000 0.433 60 L N 5.733 126.906 121.223 -0.085 0.000 2.296 60 L HA 0.642 4.982 4.340 0.000 0.000 0.286 60 L C -0.177 176.686 176.870 -0.012 0.000 1.023 60 L CA -0.513 54.228 54.840 -0.165 0.000 0.812 60 L CB 1.680 43.464 42.059 -0.459 0.000 1.223 60 L HN 0.720 nan 8.230 nan 0.000 0.421 61 D N 0.149 120.623 120.400 0.123 0.000 2.666 61 D HA 0.171 4.812 4.640 0.000 0.000 0.252 61 D C 0.194 176.561 176.300 0.111 0.000 1.143 61 D CA -0.560 53.508 54.000 0.113 0.000 1.096 61 D CB 0.758 41.638 40.800 0.134 0.000 1.260 61 D HN 0.268 nan 8.370 nan 0.000 0.633 62 D N -1.409 118.995 120.400 0.007 0.000 2.149 62 D HA -0.116 4.524 4.640 0.000 0.000 0.201 62 D C 1.796 178.088 176.300 -0.014 0.000 0.972 62 D CA 0.897 54.874 54.000 -0.039 0.000 0.835 62 D CB -0.137 40.588 40.800 -0.125 0.000 0.966 62 D HN 0.395 nan 8.370 nan 0.000 0.476 63 H N 0.051 119.182 119.070 0.103 0.000 2.321 63 H HA -0.198 4.358 4.556 0.000 0.000 0.295 63 H C 2.059 177.424 175.328 0.061 0.000 1.102 63 H CA 1.208 57.313 56.048 0.094 0.000 1.266 63 H CB -0.819 29.030 29.762 0.146 0.000 1.363 63 H HN 0.327 nan 8.280 nan 0.000 0.492 64 Y N 1.665 121.997 120.300 0.052 0.000 2.114 64 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 64 Y C 2.786 178.626 175.900 -0.101 0.000 1.143 64 Y CA 1.672 59.672 58.100 -0.166 0.000 1.135 64 Y CB -0.097 38.147 38.460 -0.359 0.000 0.980 64 Y HN -0.043 nan 8.280 nan 0.000 0.499 65 R N 0.046 120.593 120.500 0.078 0.000 2.115 65 R HA -0.132 4.209 4.340 0.000 0.000 0.230 65 R C 1.770 178.037 176.300 -0.056 0.000 1.111 65 R CA 1.322 57.416 56.100 -0.010 0.000 0.976 65 R CB -0.263 30.075 30.300 0.062 0.000 0.870 65 R HN 0.409 nan 8.270 nan 0.000 0.445 66 D N 0.156 120.545 120.400 -0.019 0.000 2.092 66 D HA -0.149 4.491 4.640 0.000 0.000 0.193 66 D C 1.961 178.239 176.300 -0.036 0.000 0.994 66 D CA 1.234 55.228 54.000 -0.010 0.000 0.828 66 D CB -0.358 40.461 40.800 0.032 0.000 0.963 66 D HN -0.016 nan 8.370 nan 0.000 0.450 67 V N 1.076 120.953 119.914 -0.062 0.000 2.287 67 V HA -0.221 3.899 4.120 0.000 0.000 0.248 67 V C 2.480 178.507 176.094 -0.111 0.000 1.053 67 V CA 1.177 63.427 62.300 -0.083 0.000 1.027 67 V CB -0.516 31.231 31.823 -0.126 0.000 0.646 67 V HN 0.131 nan 8.190 nan 0.000 0.447 68 L N 0.472 121.565 121.223 -0.216 0.000 2.017 68 L HA -0.185 4.155 4.340 0.000 0.000 0.208 68 L C 2.430 179.233 176.870 -0.111 0.000 1.073 68 L CA 2.264 56.976 54.840 -0.213 0.000 0.745 68 L CB -0.900 40.961 42.059 -0.329 0.000 0.894 68 L HN 0.261 nan 8.230 nan 0.000 0.432 69 K N -0.483 119.867 120.400 -0.083 0.000 2.074 69 K HA -0.251 4.069 4.320 0.000 0.000 0.209 69 K C 1.954 178.535 176.600 -0.032 0.000 1.048 69 K CA 2.138 58.398 56.287 -0.046 0.000 0.926 69 K CB -0.140 32.342 32.500 -0.031 0.000 0.713 69 K HN 0.535 nan 8.250 nan 0.000 0.444 70 E N 0.082 120.268 120.200 -0.024 0.000 2.077 70 E HA -0.206 4.144 4.350 0.000 0.000 0.193 70 E C 2.108 178.707 176.600 -0.001 0.000 0.989 70 E CA 1.689 58.087 56.400 -0.003 0.000 0.800 70 E CB -0.105 29.604 29.700 0.015 0.000 0.746 70 E HN 0.361 nan 8.360 nan 0.000 0.452 71 M N 0.644 120.241 119.600 -0.005 0.000 2.108 71 M HA -0.195 4.285 4.480 0.000 0.000 0.261 71 M C 2.119 178.396 176.300 -0.038 0.000 1.066 71 M CA 1.559 56.850 55.300 -0.015 0.000 1.107 71 M CB -0.217 32.375 32.600 -0.013 0.000 1.356 71 M HN -0.051 nan 8.290 nan 0.000 0.406 72 K N 0.309 120.684 120.400 -0.043 0.000 2.148 72 K HA -0.035 4.285 4.320 0.000 0.000 0.204 72 K C 2.154 178.738 176.600 -0.026 0.000 1.050 72 K CA 1.226 57.490 56.287 -0.039 0.000 0.942 72 K CB -0.263 32.213 32.500 -0.040 0.000 0.724 72 K HN 0.296 nan 8.250 nan 0.000 0.446 73 A N 2.134 124.941 122.820 -0.021 0.000 1.883 73 A HA -0.224 4.096 4.320 0.000 0.000 0.217 73 A C 1.904 179.478 177.584 -0.017 0.000 1.186 73 A CA 1.600 53.629 52.037 -0.014 0.000 0.624 73 A CB -0.296 18.698 19.000 -0.009 0.000 0.822 73 A HN 0.189 nan 8.150 nan 0.000 0.444 74 K N -0.456 119.931 120.400 -0.022 0.000 2.026 74 K HA -0.045 4.275 4.320 0.000 0.000 0.208 74 K C 2.320 178.897 176.600 -0.037 0.000 1.048 74 K CA 1.079 57.348 56.287 -0.031 0.000 0.929 74 K CB -0.358 32.117 32.500 -0.042 0.000 0.713 74 K HN 0.433 nan 8.250 nan 0.000 0.439 75 A N 1.261 124.058 122.820 -0.039 0.000 1.978 75 A HA -0.163 4.158 4.320 0.000 0.000 0.220 75 A C 2.118 179.693 177.584 -0.016 0.000 1.170 75 A CA 1.835 53.854 52.037 -0.030 0.000 0.636 75 A CB -0.500 18.485 19.000 -0.024 0.000 0.810 75 A HN 0.190 nan 8.150 nan 0.000 0.448 76 S N -0.398 115.294 115.700 -0.013 0.000 2.474 76 S HA -0.108 4.362 4.470 0.000 0.000 0.235 76 S C 1.960 176.556 174.600 -0.006 0.000 0.997 76 S CA 1.588 59.785 58.200 -0.006 0.000 0.949 76 S CB -0.516 62.680 63.200 -0.006 0.000 0.766 76 S HN 0.918 nan 8.310 nan 0.000 0.517 77 T N -0.721 113.826 114.554 -0.012 0.000 3.088 77 T HA 0.157 4.508 4.350 0.000 0.000 0.259 77 T C 0.559 175.251 174.700 -0.013 0.000 1.122 77 T CA -0.033 62.060 62.100 -0.012 0.000 1.095 77 T CB -0.318 68.541 68.868 -0.015 0.000 0.930 77 T HN 0.037 nan 8.240 nan 0.000 0.508 78 V N 2.125 122.030 119.914 -0.016 0.000 2.530 78 V HA 0.355 4.475 4.120 0.000 0.000 0.282 78 V C 0.184 176.273 176.094 -0.007 0.000 1.048 78 V CA -0.669 61.620 62.300 -0.019 0.000 0.997 78 V CB 1.115 32.920 31.823 -0.028 0.000 0.987 78 V HN 0.397 nan 8.190 nan 0.000 0.477 79 K N 3.582 123.978 120.400 -0.006 0.000 2.244 79 K HA 0.782 5.102 4.320 0.000 0.000 0.260 79 K C -0.756 175.845 176.600 0.001 0.000 0.951 79 K CA -0.471 55.817 56.287 0.002 0.000 0.826 79 K CB 1.657 34.159 32.500 0.004 0.000 1.108 79 K HN 0.818 nan 8.250 nan 0.000 0.433 80 A N 3.937 126.763 122.820 0.010 0.000 2.414 80 A HA 0.492 4.812 4.320 0.000 0.000 0.306 80 A C -1.283 176.317 177.584 0.026 0.000 1.054 80 A CA -0.932 51.112 52.037 0.011 0.000 0.724 80 A CB 1.126 20.129 19.000 0.004 0.000 1.267 80 A HN 0.844 nan 8.150 nan 0.000 0.418 81 K N 1.220 121.638 120.400 0.031 0.000 2.211 81 K HA 0.769 5.089 4.320 0.000 0.000 0.237 81 K C -1.275 175.352 176.600 0.045 0.000 1.002 81 K CA -0.766 55.542 56.287 0.035 0.000 0.885 81 K CB 1.046 33.563 32.500 0.028 0.000 1.136 81 K HN 0.358 nan 8.250 nan 0.000 0.448 82 L N 2.161 123.405 121.223 0.035 0.000 2.312 82 L HA 0.259 4.599 4.340 0.000 0.000 0.281 82 L C -0.624 176.230 176.870 -0.027 0.000 1.070 82 L CA -0.715 54.135 54.840 0.017 0.000 0.805 82 L CB 0.849 42.916 42.059 0.014 0.000 1.174 82 L HN 0.590 nan 8.230 nan 0.000 0.434 83 L N 2.500 123.691 121.223 -0.054 0.000 2.418 83 L HA 0.347 4.688 4.340 0.000 0.000 0.265 83 L C 0.753 177.517 176.870 -0.177 0.000 1.143 83 L CA 0.217 55.001 54.840 -0.093 0.000 0.809 83 L CB 0.974 42.974 42.059 -0.098 0.000 1.124 83 L HN 0.823 nan 8.230 nan 0.000 0.456 84 S N 0.966 116.573 115.700 -0.155 0.000 2.600 84 S HA 0.230 4.700 4.470 0.000 0.000 0.265 84 S C 1.339 175.797 174.600 -0.238 0.000 1.325 84 S CA -0.669 57.419 58.200 -0.187 0.000 1.002 84 S CB 0.741 63.868 63.200 -0.122 0.000 0.921 84 S HN 0.315 nan 8.310 nan 0.000 0.554 85 V N 2.149 121.895 119.914 -0.281 0.000 2.282 85 V HA -0.208 3.912 4.120 0.000 0.000 0.249 85 V C 2.915 178.878 176.094 -0.219 0.000 1.057 85 V CA 2.283 64.392 62.300 -0.318 0.000 1.032 85 V CB -1.292 30.281 31.823 -0.416 0.000 0.645 85 V HN 1.011 nan 8.190 nan 0.000 0.447 86 E N 0.566 120.667 120.200 -0.165 0.000 2.106 86 E HA -0.265 4.085 4.350 0.000 0.000 0.192 86 E C 1.910 178.432 176.600 -0.129 0.000 0.984 86 E CA 1.559 57.883 56.400 -0.127 0.000 0.806 86 E CB -0.416 29.229 29.700 -0.091 0.000 0.750 86 E HN 0.728 nan 8.360 nan 0.000 0.458 87 E N 1.446 121.565 120.200 -0.135 0.000 2.031 87 E HA -0.141 4.209 4.350 0.000 0.000 0.193 87 E C 2.228 178.709 176.600 -0.199 0.000 0.994 87 E CA 1.388 57.700 56.400 -0.146 0.000 0.800 87 E CB -0.231 29.391 29.700 -0.130 0.000 0.752 87 E HN 0.394 nan 8.360 nan 0.000 0.447 88 A N 0.902 123.596 122.820 -0.210 0.000 1.883 88 A HA -0.244 4.076 4.320 0.000 0.000 0.217 88 A C 2.468 179.933 177.584 -0.197 0.000 1.186 88 A CA 1.510 53.412 52.037 -0.226 0.000 0.624 88 A CB -1.080 17.800 19.000 -0.199 0.000 0.822 88 A HN 0.408 nan 8.150 nan 0.000 0.444 89 C N -0.432 118.768 119.300 -0.166 0.000 2.401 89 C HA -0.088 4.372 4.460 0.000 0.000 0.276 89 C C 2.581 177.493 174.990 -0.131 0.000 1.233 89 C CA 1.345 60.282 59.018 -0.134 0.000 1.753 89 C CB -0.814 26.851 27.740 -0.125 0.000 2.029 89 C HN 0.485 nan 8.230 nan 0.000 0.478 90 K N 0.561 120.880 120.400 -0.134 0.000 2.432 90 K HA 0.133 4.453 4.320 0.000 0.000 0.196 90 K C 1.453 177.984 176.600 -0.116 0.000 1.038 90 K CA 0.687 56.912 56.287 -0.103 0.000 0.986 90 K CB -0.313 32.135 32.500 -0.086 0.000 0.782 90 K HN 0.539 nan 8.250 nan 0.000 0.485 91 L N 0.873 121.971 121.223 -0.208 0.000 2.599 91 L HA 0.013 4.353 4.340 0.000 0.000 0.230 91 L C 0.416 177.158 176.870 -0.213 0.000 1.141 91 L CA 0.250 54.914 54.840 -0.294 0.000 0.877 91 L CB -0.084 41.676 42.059 -0.497 0.000 1.009 91 L HN -0.115 nan 8.230 nan 0.000 0.447 92 T N 1.653 116.109 114.554 -0.164 0.000 2.780 92 T HA 0.222 4.572 4.350 0.000 0.000 0.294 92 T C -2.328 172.218 174.700 -0.257 0.000 0.949 92 T CA -1.172 60.827 62.100 -0.169 0.000 1.074 92 T CB 1.095 69.884 68.868 -0.132 0.000 0.910 92 T HN -0.153 nan 8.240 nan 0.000 0.501 93 P HA 0.116 nan 4.420 nan 0.000 0.265 93 P C -1.885 175.108 177.300 -0.511 0.000 1.193 93 P CA -1.302 61.501 63.100 -0.495 0.000 0.765 93 P CB 0.161 31.712 31.700 -0.248 0.000 0.823 94 P HA -0.193 nan 4.420 nan 0.000 0.217 94 P C 0.776 177.710 177.300 -0.610 0.000 1.151 94 P CA 1.802 64.526 63.100 -0.626 0.000 0.849 94 P CB -0.190 31.088 31.700 -0.704 0.000 0.787 95 H N -2.312 116.629 119.070 -0.214 0.000 2.520 95 H HA 0.255 4.811 4.556 0.000 0.000 0.284 95 H C 0.644 175.893 175.328 -0.132 0.000 1.037 95 H CA -0.194 55.771 56.048 -0.138 0.000 1.168 95 H CB 0.026 29.724 29.762 -0.107 0.000 1.497 95 H HN 0.080 nan 8.280 nan 0.000 0.547 96 S N 1.067 116.708 115.700 -0.099 0.000 2.559 96 S HA 0.201 4.671 4.470 0.000 0.000 0.282 96 S C 0.675 175.227 174.600 -0.081 0.000 1.336 96 S CA -0.379 57.755 58.200 -0.110 0.000 1.037 96 S CB 0.369 63.494 63.200 -0.124 0.000 0.853 96 S HN 0.516 nan 8.310 nan 0.000 0.523 97 A N 4.117 126.876 122.820 -0.101 0.000 2.546 97 A HA 0.248 4.568 4.320 0.000 0.000 0.243 97 A C 0.531 178.108 177.584 -0.011 0.000 1.063 97 A CA -0.158 51.858 52.037 -0.035 0.000 0.757 97 A CB -0.166 18.838 19.000 0.006 0.000 0.991 97 A HN 0.837 nan 8.150 nan 0.000 0.503 98 K N 2.114 122.501 120.400 -0.022 0.000 2.276 98 K HA 0.309 4.629 4.320 0.000 0.000 0.259 98 K C 0.311 176.837 176.600 -0.123 0.000 1.001 98 K CA -0.015 56.226 56.287 -0.076 0.000 0.927 98 K CB 0.407 32.861 32.500 -0.076 0.000 0.969 98 K HN 0.418 nan 8.250 nan 0.000 0.490 99 S N 0.439 115.955 115.700 -0.305 0.000 2.576 99 S HA 0.042 4.512 4.470 0.000 0.000 0.276 99 S C 0.690 175.100 174.600 -0.317 0.000 1.339 99 S CA -0.467 57.510 58.200 -0.373 0.000 1.039 99 S CB 0.587 63.195 63.200 -0.986 0.000 0.902 99 S HN 0.686 nan 8.310 nan 0.000 0.516 100 K N 2.647 122.860 120.400 -0.312 0.000 2.360 100 K HA -0.073 4.247 4.320 0.000 0.000 0.201 100 K C 0.148 176.336 176.600 -0.685 0.000 1.046 100 K CA 1.350 57.326 56.287 -0.519 0.000 0.940 100 K CB -0.169 31.914 32.500 -0.694 0.000 0.748 100 K HN 0.633 nan 8.250 nan 0.000 0.465 101 F N 0.121 119.891 119.950 -0.301 0.000 2.730 101 F HA 0.255 4.782 4.527 0.000 0.000 0.295 101 F C 1.016 176.700 175.800 -0.193 0.000 1.143 101 F CA -0.263 57.569 58.000 -0.280 0.000 1.367 101 F CB 0.612 39.311 39.000 -0.500 0.000 0.970 101 F HN 0.032 nan 8.300 nan 0.000 0.514 102 G N 0.633 109.367 108.800 -0.110 0.000 2.182 102 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 102 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 102 G C -0.423 174.540 174.900 0.105 0.000 1.042 102 G CA 0.209 45.304 45.100 -0.008 0.000 0.775 102 G HN 0.565 nan 8.290 nan 0.000 0.501 103 Y N -2.723 117.581 120.300 0.008 0.000 2.625 103 Y HA 0.828 5.378 4.550 0.000 0.000 0.338 103 Y C 0.449 176.354 175.900 0.009 0.000 1.123 103 Y CA -1.230 56.875 58.100 0.008 0.000 1.046 103 Y CB 0.645 39.115 38.460 0.018 0.000 1.299 103 Y HN 0.621 nan 8.280 nan 0.000 0.464 104 G N -0.308 108.572 108.800 0.134 0.000 3.108 104 G HA2 0.535 4.495 3.960 0.000 0.000 0.268 104 G HA3 0.535 4.495 3.960 0.000 0.000 0.268 104 G C 0.210 175.162 174.900 0.087 0.000 1.361 104 G CA -0.766 44.354 45.100 0.033 0.000 1.047 104 G HN 1.138 nan 8.290 nan 0.000 0.540 105 A N -0.344 122.474 122.820 -0.003 0.000 1.908 105 A HA -0.025 4.295 4.320 0.000 0.000 0.218 105 A C 2.148 179.685 177.584 -0.077 0.000 1.181 105 A CA 1.988 53.996 52.037 -0.048 0.000 0.627 105 A CB -0.417 18.508 19.000 -0.126 0.000 0.818 105 A HN 0.579 nan 8.150 nan 0.000 0.445 106 K N -0.435 119.909 120.400 -0.094 0.000 2.155 106 K HA -0.097 4.223 4.320 0.000 0.000 0.203 106 K C 1.302 177.871 176.600 -0.052 0.000 1.052 106 K CA 1.195 57.419 56.287 -0.105 0.000 0.948 106 K CB -0.168 32.263 32.500 -0.116 0.000 0.728 106 K HN 0.428 nan 8.250 nan 0.000 0.448 107 D N 0.694 121.093 120.400 -0.002 0.000 2.117 107 D HA -0.126 4.514 4.640 0.000 0.000 0.198 107 D C 2.011 178.306 176.300 -0.010 0.000 0.982 107 D CA 0.894 54.904 54.000 0.016 0.000 0.828 107 D CB -0.330 40.522 40.800 0.088 0.000 0.967 107 D HN -0.085 nan 8.370 nan 0.000 0.464 108 V N 1.326 121.253 119.914 0.022 0.000 2.287 108 V HA -0.245 3.876 4.120 0.000 0.000 0.248 108 V C 2.503 178.559 176.094 -0.064 0.000 1.053 108 V CA 1.639 63.927 62.300 -0.020 0.000 1.027 108 V CB -0.361 31.485 31.823 0.038 0.000 0.646 108 V HN 0.151 nan 8.190 nan 0.000 0.447 109 R N 0.243 120.698 120.500 -0.076 0.000 2.120 109 R HA -0.103 4.237 4.340 0.000 0.000 0.234 109 R C 1.679 177.936 176.300 -0.072 0.000 1.123 109 R CA 1.296 57.342 56.100 -0.091 0.000 0.975 109 R CB -0.342 29.883 30.300 -0.125 0.000 0.866 109 R HN 0.525 nan 8.270 nan 0.000 0.446 110 N N 0.811 119.474 118.700 -0.062 0.000 2.398 110 N HA 0.069 4.809 4.740 0.000 0.000 0.188 110 N C 0.216 175.695 175.510 -0.051 0.000 1.122 110 N CA 0.239 53.258 53.050 -0.051 0.000 0.866 110 N CB 0.353 38.814 38.487 -0.042 0.000 0.970 110 N HN 0.148 nan 8.380 nan 0.000 0.462 111 L N 0.585 121.770 121.223 -0.064 0.000 3.843 111 L HA -0.220 4.120 4.340 0.000 0.000 0.411 111 L C 0.260 177.090 176.870 -0.067 0.000 1.205 111 L CA 0.022 54.820 54.840 -0.071 0.000 0.945 111 L CB -2.656 39.367 42.059 -0.060 0.000 1.929 111 L HN 0.141 nan 8.230 nan 0.000 0.934 112 S N -0.310 115.350 115.700 -0.068 0.000 2.546 112 S HA 0.214 4.684 4.470 0.000 0.000 0.290 112 S C 1.546 176.098 174.600 -0.081 0.000 1.290 112 S CA 0.051 58.215 58.200 -0.060 0.000 1.069 112 S CB 1.626 64.800 63.200 -0.044 0.000 0.846 112 S HN 0.485 nan 8.310 nan 0.000 0.495 113 S N 3.802 119.470 115.700 -0.054 0.000 2.400 113 S HA -0.218 4.253 4.470 0.000 0.000 0.232 113 S C 1.681 176.242 174.600 -0.065 0.000 1.025 113 S CA 1.227 59.399 58.200 -0.047 0.000 0.993 113 S CB -0.558 62.627 63.200 -0.025 0.000 0.808 113 S HN 0.886 nan 8.310 nan 0.000 0.478 114 K N 1.862 122.218 120.400 -0.074 0.000 2.026 114 K HA -0.001 4.319 4.320 0.000 0.000 0.208 114 K C 2.391 178.832 176.600 -0.264 0.000 1.048 114 K CA 1.113 57.348 56.287 -0.087 0.000 0.929 114 K CB -0.699 31.788 32.500 -0.023 0.000 0.713 114 K HN 0.392 nan 8.250 nan 0.000 0.439 115 A N 0.706 123.257 122.820 -0.448 0.000 1.873 115 A HA -0.162 4.158 4.320 0.000 0.000 0.218 115 A C 2.269 179.559 177.584 -0.489 0.000 1.193 115 A CA 2.055 53.553 52.037 -0.899 0.000 0.629 115 A CB -0.880 17.783 19.000 -0.562 0.000 0.826 115 A HN 0.199 nan 8.150 nan 0.000 0.447 116 V N 0.773 120.535 119.914 -0.254 0.000 2.427 116 V HA -0.216 3.904 4.120 0.000 0.000 0.248 116 V C 2.216 178.288 176.094 -0.037 0.000 1.051 116 V CA 2.012 64.217 62.300 -0.158 0.000 1.048 116 V CB -1.053 30.720 31.823 -0.083 0.000 0.666 116 V HN 0.551 nan 8.190 nan 0.000 0.456 117 N N -0.397 118.301 118.700 -0.003 0.000 2.120 117 N HA -0.185 4.555 4.740 0.000 0.000 0.188 117 N C 1.840 177.384 175.510 0.057 0.000 1.024 117 N CA 1.556 54.642 53.050 0.060 0.000 0.852 117 N CB -0.570 37.934 38.487 0.028 0.000 1.003 117 N HN 0.635 nan 8.380 nan 0.000 0.424 118 H N 0.419 119.422 119.070 -0.112 0.000 2.357 118 H HA 0.052 4.608 4.556 0.000 0.000 0.301 118 H C 1.976 177.274 175.328 -0.050 0.000 1.082 118 H CA 1.013 57.015 56.048 -0.077 0.000 1.342 118 H CB 0.072 29.826 29.762 -0.013 0.000 1.389 118 H HN 0.111 nan 8.280 nan 0.000 0.511 119 I N 0.437 120.911 120.570 -0.161 0.000 2.179 119 I HA -0.315 3.855 4.170 0.000 0.000 0.242 119 I C 2.637 178.662 176.117 -0.152 0.000 1.088 119 I CA 1.127 62.310 61.300 -0.194 0.000 1.357 119 I CB -0.477 37.395 38.000 -0.213 0.000 1.051 119 I HN 0.359 nan 8.210 nan 0.000 0.409 120 H N 0.263 119.287 119.070 -0.076 0.000 2.352 120 H HA -0.163 4.393 4.556 0.000 0.000 0.299 120 H C 2.633 177.971 175.328 0.016 0.000 1.097 120 H CA 2.028 58.066 56.048 -0.017 0.000 1.311 120 H CB -0.379 29.362 29.762 -0.035 0.000 1.377 120 H HN 0.413 nan 8.280 nan 0.000 0.504 121 S N 0.404 116.138 115.700 0.057 0.000 2.402 121 S HA -0.079 4.391 4.470 0.000 0.000 0.229 121 S C 2.343 176.889 174.600 -0.089 0.000 1.021 121 S CA 1.209 59.398 58.200 -0.019 0.000 0.974 121 S CB -0.696 62.476 63.200 -0.046 0.000 0.800 121 S HN 0.109 nan 8.310 nan 0.000 0.484 122 V N 0.751 120.551 119.914 -0.191 0.000 2.427 122 V HA -0.086 4.034 4.120 0.000 0.000 0.248 122 V C 2.220 178.307 176.094 -0.012 0.000 1.051 122 V CA 1.639 63.837 62.300 -0.169 0.000 1.048 122 V CB -1.081 30.593 31.823 -0.248 0.000 0.666 122 V HN 0.708 nan 8.190 nan 0.000 0.456 123 W N 1.569 122.797 121.300 -0.120 0.000 2.354 123 W HA -0.231 4.430 4.660 0.000 0.000 0.315 123 W C 2.521 179.013 176.519 -0.046 0.000 1.206 123 W CA 2.256 59.558 57.345 -0.071 0.000 1.290 123 W CB -0.225 29.202 29.460 -0.055 0.000 1.152 123 W HN 0.216 nan 8.180 nan 0.000 0.489 124 K N 0.569 121.034 120.400 0.109 0.000 2.113 124 K HA -0.302 4.018 4.320 0.000 0.000 0.208 124 K C 1.692 178.232 176.600 -0.100 0.000 1.047 124 K CA 2.420 58.706 56.287 -0.001 0.000 0.928 124 K CB -0.579 31.956 32.500 0.060 0.000 0.716 124 K HN 0.111 nan 8.250 nan 0.000 0.446 125 D N -0.103 120.242 120.400 -0.093 0.000 2.183 125 D HA -0.090 4.550 4.640 0.000 0.000 0.203 125 D C 1.949 178.159 176.300 -0.150 0.000 0.969 125 D CA 0.628 54.566 54.000 -0.103 0.000 0.842 125 D CB 0.122 40.872 40.800 -0.082 0.000 0.957 125 D HN 0.207 nan 8.370 nan 0.000 0.484 126 L N 0.042 121.134 121.223 -0.218 0.000 2.083 126 L HA -0.134 4.207 4.340 0.000 0.000 0.209 126 L C 2.307 178.987 176.870 -0.317 0.000 1.083 126 L CA 0.693 55.363 54.840 -0.284 0.000 0.752 126 L CB -0.262 41.560 42.059 -0.395 0.000 0.899 126 L HN 0.241 nan 8.230 nan 0.000 0.433 127 L N -1.030 119.973 121.223 -0.367 0.000 2.179 127 L HA -0.129 4.211 4.340 0.000 0.000 0.208 127 L C 2.266 179.036 176.870 -0.168 0.000 1.096 127 L CA 1.033 55.694 54.840 -0.298 0.000 0.779 127 L CB -0.285 41.590 42.059 -0.305 0.000 0.922 127 L HN 0.281 nan 8.230 nan 0.000 0.443 128 E N -0.953 119.166 120.200 -0.136 0.000 2.140 128 E HA -0.064 4.286 4.350 0.000 0.000 0.191 128 E C 0.305 176.860 176.600 -0.076 0.000 0.973 128 E CA 0.271 56.619 56.400 -0.087 0.000 0.829 128 E CB 0.376 30.036 29.700 -0.067 0.000 0.781 128 E HN 0.168 nan 8.360 nan 0.000 0.466 129 D N 0.162 120.510 120.400 -0.086 0.000 2.408 129 D HA 0.065 4.705 4.640 0.000 0.000 0.243 129 D C -0.168 176.084 176.300 -0.080 0.000 1.075 129 D CA -0.287 53.672 54.000 -0.068 0.000 0.832 129 D CB 1.530 42.295 40.800 -0.057 0.000 1.162 129 D HN -0.018 nan 8.370 nan 0.000 0.515 130 T N 0.350 114.865 114.554 -0.065 0.000 3.200 130 T HA 0.240 4.590 4.350 0.000 0.000 0.284 130 T C 0.938 175.610 174.700 -0.047 0.000 1.009 130 T CA -0.119 61.941 62.100 -0.066 0.000 0.907 130 T CB 0.044 68.874 68.868 -0.062 0.000 1.120 130 T HN 0.150 nan 8.240 nan 0.000 0.534 131 V N -0.257 119.634 119.914 -0.038 0.000 3.137 131 V HA 0.224 4.344 4.120 0.000 0.000 0.236 131 V C 0.965 177.051 176.094 -0.013 0.000 1.260 131 V CA 0.085 62.372 62.300 -0.022 0.000 1.244 131 V CB -0.242 31.570 31.823 -0.017 0.000 1.016 131 V HN 0.421 nan 8.190 nan 0.000 0.477 132 T N 4.297 118.841 114.554 -0.015 0.000 2.784 132 T HA 0.234 4.584 4.350 0.000 0.000 0.291 132 T C -2.386 172.316 174.700 0.003 0.000 0.942 132 T CA -0.500 61.600 62.100 -0.000 0.000 1.161 132 T CB 0.626 69.493 68.868 -0.001 0.000 0.885 132 T HN 0.202 nan 8.240 nan 0.000 0.534 133 P HA 0.162 nan 4.420 nan 0.000 0.267 133 P C -0.248 177.057 177.300 0.008 0.000 1.200 133 P CA -0.148 62.969 63.100 0.027 0.000 0.772 133 P CB 0.433 32.190 31.700 0.096 0.000 0.855 134 I N 1.618 122.177 120.570 -0.019 0.000 2.392 134 I HA 0.195 4.365 4.170 0.000 0.000 0.295 134 I C 0.713 176.819 176.117 -0.018 0.000 0.985 134 I CA -0.627 60.666 61.300 -0.011 0.000 1.221 134 I CB 1.101 39.085 38.000 -0.026 0.000 1.366 134 I HN 0.288 nan 8.210 nan 0.000 0.467 135 D N 4.195 124.599 120.400 0.007 0.000 2.414 135 D HA 0.193 4.833 4.640 0.000 0.000 0.242 135 D C -0.338 175.938 176.300 -0.040 0.000 1.129 135 D CA 0.246 54.237 54.000 -0.015 0.000 0.885 135 D CB 0.844 41.649 40.800 0.008 0.000 1.198 135 D HN 0.602 nan 8.370 nan 0.000 0.437 136 T N -0.356 114.146 114.554 -0.087 0.000 2.907 136 T HA 0.592 4.942 4.350 0.000 0.000 0.292 136 T C -0.195 174.367 174.700 -0.231 0.000 1.043 136 T CA -0.955 61.058 62.100 -0.145 0.000 1.003 136 T CB 1.495 70.299 68.868 -0.107 0.000 1.084 136 T HN 0.209 nan 8.240 nan 0.000 0.483 137 T N 2.409 116.678 114.554 -0.475 0.000 2.837 137 T HA 0.545 4.895 4.350 0.000 0.000 0.285 137 T C -0.275 174.144 174.700 -0.468 0.000 0.984 137 T CA -0.571 61.204 62.100 -0.543 0.000 1.049 137 T CB 0.574 68.919 68.868 -0.871 0.000 0.947 137 T HN 0.693 nan 8.240 nan 0.000 0.472 138 I N 3.866 124.329 120.570 -0.180 0.000 2.378 138 I HA 0.553 4.723 4.170 0.000 0.000 0.291 138 I C -0.798 175.336 176.117 0.030 0.000 0.992 138 I CA -0.791 60.497 61.300 -0.021 0.000 1.154 138 I CB 0.675 38.719 38.000 0.073 0.000 1.315 138 I HN 0.535 nan 8.210 nan 0.000 0.448 139 M N 6.149 125.822 119.600 0.122 0.000 2.619 139 M HA 0.556 5.036 4.480 0.000 0.000 0.297 139 M C -0.686 175.681 176.300 0.111 0.000 1.229 139 M CA -0.813 54.568 55.300 0.134 0.000 0.860 139 M CB 2.226 34.959 32.600 0.222 0.000 1.741 139 M HN 0.585 nan 8.290 nan 0.000 0.462 140 A N 2.088 124.953 122.820 0.075 0.000 2.328 140 A HA 0.464 4.785 4.320 0.000 0.000 0.284 140 A C -0.466 177.158 177.584 0.067 0.000 1.160 140 A CA -0.474 51.599 52.037 0.059 0.000 0.818 140 A CB 0.268 19.289 19.000 0.036 0.000 1.087 140 A HN 0.774 nan 8.150 nan 0.000 0.504 141 K N 2.056 122.497 120.400 0.069 0.000 2.270 141 K HA 0.116 4.436 4.320 0.000 0.000 0.276 141 K C -0.601 176.017 176.600 0.030 0.000 1.023 141 K CA 0.101 56.418 56.287 0.050 0.000 0.955 141 K CB 0.614 33.149 32.500 0.059 0.000 0.975 141 K HN 0.771 nan 8.250 nan 0.000 0.471 142 N N 2.896 121.588 118.700 -0.013 0.000 2.457 142 N HA 0.102 4.842 4.740 0.000 0.000 0.250 142 N C -1.187 174.227 175.510 -0.161 0.000 0.982 142 N CA -0.347 52.662 53.050 -0.067 0.000 0.941 142 N CB 0.991 39.432 38.487 -0.077 0.000 1.120 142 N HN 0.411 nan 8.380 nan 0.000 0.505 143 E N 0.942 121.031 120.200 -0.185 0.000 2.343 143 E HA 0.422 4.772 4.350 0.000 0.000 0.270 143 E C -0.971 175.249 176.600 -0.633 0.000 0.895 143 E CA -0.989 55.170 56.400 -0.402 0.000 0.767 143 E CB 2.419 31.900 29.700 -0.364 0.000 1.248 143 E HN 0.080 nan 8.360 nan 0.000 0.440 144 V N 2.536 121.930 119.914 -0.865 0.000 2.481 144 V HA 0.462 4.582 4.120 0.000 0.000 0.286 144 V C -0.733 174.740 176.094 -1.036 0.000 1.042 144 V CA -0.158 61.647 62.300 -0.825 0.000 0.928 144 V CB 0.091 31.543 31.823 -0.620 0.000 0.986 144 V HN 0.515 nan 8.190 nan 0.000 0.462 145 F N 1.986 121.572 119.950 -0.606 0.000 2.706 145 F HA 0.641 5.168 4.527 0.000 0.000 0.328 145 F C 0.086 175.640 175.800 -0.411 0.000 1.123 145 F CA -0.700 57.005 58.000 -0.491 0.000 0.978 145 F CB 1.335 40.028 39.000 -0.511 0.000 1.404 145 F HN 0.537 nan 8.300 nan 0.000 0.497 146 C N 2.252 121.599 119.300 0.079 0.000 2.391 146 C HA 0.820 5.280 4.460 0.000 0.000 0.339 146 C C -0.093 175.076 174.990 0.299 0.000 1.205 146 C CA -0.697 58.415 59.018 0.158 0.000 1.937 146 C CB 0.315 28.120 27.740 0.110 0.000 2.341 146 C HN 0.721 nan 8.230 nan 0.000 0.516 147 V N 4.249 124.371 119.914 0.347 0.000 2.843 147 V HA 0.532 4.652 4.120 0.000 0.000 0.305 147 V C -0.367 175.818 176.094 0.152 0.000 1.065 147 V CA 0.245 62.716 62.300 0.286 0.000 1.116 147 V CB 1.034 32.964 31.823 0.178 0.000 0.968 147 V HN 1.068 nan 8.190 nan 0.000 0.487 154 R N 0.790 121.204 120.500 -0.143 0.000 2.604 154 R HA 0.361 4.701 4.340 0.000 0.000 0.281 154 R C -0.563 175.671 176.300 -0.111 0.000 1.020 154 R CA -0.965 54.989 56.100 -0.243 0.000 0.899 154 R CB 2.931 32.907 30.300 -0.540 0.000 1.205 154 R HN 0.492 nan 8.270 nan 0.000 0.450 155 K N 3.239 123.629 120.400 -0.017 0.000 2.249 155 K HA 0.286 4.606 4.320 0.000 0.000 0.280 155 K C -2.084 174.514 176.600 -0.003 0.000 1.033 155 K CA -1.593 54.648 56.287 -0.076 0.000 0.946 155 K CB 0.647 32.959 32.500 -0.313 0.000 1.005 155 K HN 0.277 nan 8.250 nan 0.000 0.469 156 P HA 0.057 nan 4.420 nan 0.000 0.276 156 P C -0.758 176.569 177.300 0.046 0.000 1.244 156 P CA -0.504 62.605 63.100 0.014 0.000 0.801 156 P CB 0.619 32.313 31.700 -0.010 0.000 1.006 157 A N 2.919 125.777 122.820 0.063 0.000 2.531 157 A HA 0.070 4.391 4.320 0.000 0.000 0.236 157 A C 0.727 178.353 177.584 0.071 0.000 1.062 157 A CA 0.021 52.109 52.037 0.085 0.000 0.760 157 A CB -0.307 18.730 19.000 0.062 0.000 0.995 157 A HN 0.434 nan 8.150 nan 0.000 0.501 158 R N 0.472 121.033 120.500 0.101 0.000 2.560 158 R HA 0.441 4.781 4.340 0.000 0.000 0.270 158 R C -1.022 175.332 176.300 0.089 0.000 1.074 158 R CA -0.723 55.437 56.100 0.100 0.000 1.140 158 R CB 0.281 30.658 30.300 0.128 0.000 1.073 158 R HN 0.467 nan 8.270 nan 0.000 0.527 159 L N 1.903 123.184 121.223 0.097 0.000 2.331 159 L HA 0.487 4.827 4.340 0.000 0.000 0.275 159 L C -0.333 176.626 176.870 0.148 0.000 1.022 159 L CA -0.807 54.095 54.840 0.104 0.000 0.812 159 L CB 1.223 43.328 42.059 0.077 0.000 1.257 159 L HN 0.500 nan 8.230 nan 0.000 0.435 160 I N 2.439 123.116 120.570 0.179 0.000 2.466 160 I HA 0.576 4.746 4.170 0.000 0.000 0.289 160 I C -1.066 175.239 176.117 0.313 0.000 1.026 160 I CA -0.323 61.121 61.300 0.241 0.000 1.078 160 I CB 1.778 39.915 38.000 0.228 0.000 1.249 160 I HN 0.205 nan 8.210 nan 0.000 0.429 161 V N 8.931 129.020 119.914 0.292 0.000 2.409 161 V HA 0.601 4.722 4.120 0.000 0.000 0.291 161 V C -0.737 175.530 176.094 0.287 0.000 1.020 161 V CA -0.480 61.944 62.300 0.207 0.000 0.848 161 V CB 1.024 32.945 31.823 0.164 0.000 0.990 161 V HN 0.585 nan 8.190 nan 0.000 0.430 162 F N 5.060 125.057 119.950 0.078 0.000 2.608 162 F HA 0.912 5.439 4.527 0.000 0.000 0.309 162 F C -3.056 172.784 175.800 0.067 0.000 1.103 162 F CA -2.717 55.329 58.000 0.076 0.000 0.954 162 F CB 1.693 40.732 39.000 0.066 0.000 1.267 162 F HN 0.295 nan 8.300 nan 0.000 0.444 163 P HA 0.170 nan 4.420 nan 0.000 0.279 163 P C -0.949 176.478 177.300 0.211 0.000 1.276 163 P CA -0.122 63.053 63.100 0.125 0.000 0.801 163 P CB 1.123 32.901 31.700 0.130 0.000 1.127 164 D N -0.926 119.579 120.400 0.175 0.000 2.378 164 D HA -0.041 4.599 4.640 0.000 0.000 0.238 164 D C 1.345 177.780 176.300 0.225 0.000 1.180 164 D CA -0.290 53.838 54.000 0.214 0.000 0.895 164 D CB 0.254 41.228 40.800 0.291 0.000 1.192 164 D HN 0.092 nan 8.370 nan 0.000 0.438 165 L N 3.035 124.374 121.223 0.192 0.000 2.043 165 L HA -0.029 4.311 4.340 0.000 0.000 0.212 165 L C 2.049 179.061 176.870 0.238 0.000 1.075 165 L CA 2.615 57.558 54.840 0.172 0.000 0.752 165 L CB -1.202 40.913 42.059 0.093 0.000 0.891 165 L HN 0.651 nan 8.230 nan 0.000 0.432 166 G N -1.152 107.859 108.800 0.351 0.000 2.440 166 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 166 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 166 G C 1.536 176.523 174.900 0.145 0.000 1.154 166 G CA 1.211 46.501 45.100 0.316 0.000 0.767 166 G HN 0.375 nan 8.290 nan 0.000 0.552 167 V N 0.600 120.604 119.914 0.151 0.000 2.358 167 V HA -0.128 3.992 4.120 0.000 0.000 0.246 167 V C 2.913 179.082 176.094 0.125 0.000 1.047 167 V CA 1.810 64.178 62.300 0.113 0.000 1.035 167 V CB -0.448 31.438 31.823 0.104 0.000 0.658 167 V HN 0.320 nan 8.190 nan 0.000 0.452 168 R N -0.240 120.343 120.500 0.138 0.000 2.091 168 R HA -0.132 4.208 4.340 0.000 0.000 0.238 168 R C 2.226 178.576 176.300 0.083 0.000 1.136 168 R CA 1.499 57.671 56.100 0.121 0.000 0.959 168 R CB -0.625 29.741 30.300 0.111 0.000 0.856 168 R HN 0.417 nan 8.270 nan 0.000 0.437 169 V N 0.340 120.293 119.914 0.066 0.000 2.427 169 V HA -0.281 3.839 4.120 0.000 0.000 0.248 169 V C 2.451 178.553 176.094 0.014 0.000 1.051 169 V CA 1.477 63.782 62.300 0.008 0.000 1.048 169 V CB -0.423 31.389 31.823 -0.018 0.000 0.666 169 V HN 0.456 nan 8.190 nan 0.000 0.456 170 C N -0.226 119.125 119.300 0.086 0.000 2.440 170 C HA -0.120 4.340 4.460 0.000 0.000 0.278 170 C C 2.652 177.789 174.990 0.244 0.000 1.295 170 C CA 0.731 59.875 59.018 0.210 0.000 1.738 170 C CB -0.920 27.004 27.740 0.307 0.000 1.987 170 C HN 0.615 nan 8.230 nan 0.000 0.492 171 E N 0.921 121.230 120.200 0.182 0.000 2.058 171 E HA -0.245 4.105 4.350 0.000 0.000 0.194 171 E C 2.145 178.848 176.600 0.172 0.000 0.997 171 E CA 1.328 57.848 56.400 0.200 0.000 0.801 171 E CB -0.145 29.683 29.700 0.214 0.000 0.746 171 E HN 0.635 nan 8.360 nan 0.000 0.450 172 K N 0.312 120.779 120.400 0.111 0.000 2.026 172 K HA -0.128 4.193 4.320 0.000 0.000 0.208 172 K C 2.232 178.868 176.600 0.061 0.000 1.048 172 K CA 1.519 57.852 56.287 0.078 0.000 0.929 172 K CB -0.146 32.320 32.500 -0.057 0.000 0.713 172 K HN 0.117 nan 8.250 nan 0.000 0.439 173 M N 0.359 119.952 119.600 -0.012 0.000 2.082 173 M HA -0.207 4.273 4.480 0.000 0.000 0.258 173 M C 2.464 178.786 176.300 0.036 0.000 1.069 173 M CA 1.857 57.087 55.300 -0.115 0.000 1.102 173 M CB -0.451 31.891 32.600 -0.430 0.000 1.336 173 M HN 0.248 nan 8.290 nan 0.000 0.404 174 A N -0.409 122.548 122.820 0.228 0.000 1.898 174 A HA 0.026 4.346 4.320 0.000 0.000 0.214 174 A C 1.886 179.561 177.584 0.152 0.000 1.183 174 A CA 1.237 53.453 52.037 0.298 0.000 0.622 174 A CB -0.218 18.990 19.000 0.346 0.000 0.824 174 A HN 0.501 nan 8.150 nan 0.000 0.444 175 L N -3.129 118.169 121.223 0.125 0.000 3.039 175 L HA 0.196 4.536 4.340 0.000 0.000 0.269 175 L C 1.812 178.715 176.870 0.054 0.000 1.169 175 L CA -0.020 54.841 54.840 0.035 0.000 0.986 175 L CB 0.127 42.178 42.059 -0.013 0.000 1.377 175 L HN 0.442 nan 8.230 nan 0.000 0.575 176 Y N 1.548 121.854 120.300 0.009 0.000 2.097 176 Y HA -0.342 4.208 4.550 0.000 0.000 0.282 176 Y C 2.231 178.155 175.900 0.040 0.000 1.152 176 Y CA 2.313 60.434 58.100 0.034 0.000 1.136 176 Y CB 0.016 38.480 38.460 0.007 0.000 0.975 176 Y HN 0.216 nan 8.280 nan 0.000 0.498 177 D N -0.689 119.736 120.400 0.042 0.000 2.123 177 D HA -0.177 4.463 4.640 0.000 0.000 0.196 177 D C 2.219 178.453 176.300 -0.109 0.000 0.992 177 D CA 1.564 55.533 54.000 -0.051 0.000 0.833 177 D CB -0.232 40.589 40.800 0.035 0.000 0.954 177 D HN 0.268 nan 8.370 nan 0.000 0.455 178 V N 0.376 120.235 119.914 -0.093 0.000 2.261 178 V HA -0.222 3.898 4.120 0.000 0.000 0.246 178 V C 2.687 178.673 176.094 -0.180 0.000 1.047 178 V CA 1.823 64.047 62.300 -0.127 0.000 1.015 178 V CB -0.742 30.985 31.823 -0.159 0.000 0.642 178 V HN 0.325 nan 8.190 nan 0.000 0.446 179 V N -2.437 117.351 119.914 -0.209 0.000 2.970 179 V HA -0.089 4.031 4.120 0.000 0.000 0.260 179 V C 2.065 178.003 176.094 -0.259 0.000 1.100 179 V CA 2.039 64.207 62.300 -0.221 0.000 1.122 179 V CB -0.412 31.304 31.823 -0.179 0.000 0.721 179 V HN 0.451 nan 8.190 nan 0.000 0.483 180 S N 0.322 115.863 115.700 -0.265 0.000 2.446 180 S HA -0.016 4.454 4.470 0.000 0.000 0.225 180 S C 1.874 176.368 174.600 -0.177 0.000 1.016 180 S CA 1.574 59.630 58.200 -0.239 0.000 0.943 180 S CB -0.023 62.974 63.200 -0.339 0.000 0.786 180 S HN 0.781 nan 8.310 nan 0.000 0.508 181 T N 1.424 115.872 114.554 -0.178 0.000 3.056 181 T HA 0.286 4.636 4.350 0.000 0.000 0.243 181 T C 1.665 176.257 174.700 -0.179 0.000 0.995 181 T CA -0.132 61.883 62.100 -0.143 0.000 1.091 181 T CB -0.179 68.630 68.868 -0.098 0.000 0.990 181 T HN 0.177 nan 8.240 nan 0.000 0.464 182 L N 2.153 123.267 121.223 -0.181 0.000 2.046 182 L HA -0.012 4.329 4.340 0.000 0.000 0.208 182 L C -0.989 175.715 176.870 -0.277 0.000 1.077 182 L CA 1.484 56.221 54.840 -0.170 0.000 0.747 182 L CB -0.830 41.174 42.059 -0.091 0.000 0.896 182 L HN 0.145 nan 8.230 nan 0.000 0.432 183 P HA -0.199 nan 4.420 nan 0.000 0.218 183 P C 1.324 178.176 177.300 -0.747 0.000 1.149 183 P CA 1.147 63.825 63.100 -0.703 0.000 0.817 183 P CB -0.174 30.790 31.700 -1.226 0.000 0.785 184 Q N 0.139 119.558 119.800 -0.635 0.000 2.172 184 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 184 Q C 1.893 177.766 176.000 -0.212 0.000 0.964 184 Q CA 1.235 56.845 55.803 -0.321 0.000 0.855 184 Q CB -0.521 28.131 28.738 -0.143 0.000 0.918 184 Q HN 0.073 nan 8.270 nan 0.000 0.444 185 V N 0.224 120.017 119.914 -0.201 0.000 2.358 185 V HA -0.195 3.925 4.120 0.000 0.000 0.246 185 V C 2.482 178.490 176.094 -0.144 0.000 1.047 185 V CA 1.426 63.644 62.300 -0.136 0.000 1.035 185 V CB -0.458 31.300 31.823 -0.108 0.000 0.658 185 V HN 0.125 nan 8.190 nan 0.000 0.452 186 V N -0.886 118.909 119.914 -0.198 0.000 2.591 186 V HA -0.121 3.999 4.120 0.000 0.000 0.249 186 V C 1.982 177.910 176.094 -0.277 0.000 1.053 186 V CA 1.944 64.123 62.300 -0.202 0.000 1.068 186 V CB -0.345 31.347 31.823 -0.218 0.000 0.689 186 V HN 0.476 nan 8.190 nan 0.000 0.462 187 M N -1.492 117.889 119.600 -0.366 0.000 2.308 187 M HA 0.382 4.862 4.480 0.000 0.000 0.269 187 M C 1.467 177.665 176.300 -0.170 0.000 1.040 187 M CA 0.730 55.758 55.300 -0.454 0.000 1.024 187 M CB 0.778 32.979 32.600 -0.664 0.000 1.465 187 M HN 0.422 nan 8.290 nan 0.000 0.517 188 G N 1.685 110.409 108.800 -0.127 0.000 2.622 188 G HA2 -0.403 3.557 3.960 0.000 0.000 0.307 188 G HA3 -0.403 3.557 3.960 0.000 0.000 0.307 188 G C 0.818 175.688 174.900 -0.050 0.000 1.226 188 G CA 0.896 45.962 45.100 -0.056 0.000 0.997 188 G HN 0.553 nan 8.290 nan 0.000 0.551 189 S N -0.447 115.256 115.700 0.004 0.000 2.603 189 S HA 0.210 4.680 4.470 0.000 0.000 0.229 189 S C 2.084 176.585 174.600 -0.164 0.000 0.972 189 S CA 1.721 59.904 58.200 -0.029 0.000 0.935 189 S CB 0.075 63.367 63.200 0.152 0.000 0.769 189 S HN 0.918 nan 8.310 nan 0.000 0.536 190 S N 0.159 115.846 115.700 -0.022 0.000 2.501 190 S HA 0.190 4.660 4.470 0.000 0.000 0.220 190 S C 0.114 174.700 174.600 -0.023 0.000 0.997 190 S CA -0.330 57.893 58.200 0.039 0.000 0.919 190 S CB -0.343 62.993 63.200 0.227 0.000 0.778 190 S HN 0.710 nan 8.310 nan 0.000 0.523 191 Y N 2.926 123.075 120.300 -0.251 0.000 2.531 191 Y HA 0.449 4.999 4.550 0.000 0.000 0.347 191 Y C 1.245 176.900 175.900 -0.410 0.000 1.024 191 Y CA -1.243 56.678 58.100 -0.298 0.000 1.306 191 Y CB 0.182 38.470 38.460 -0.288 0.000 1.149 191 Y HN 0.063 nan 8.280 nan 0.000 0.527 192 G N 4.465 112.826 108.800 -0.732 0.000 2.430 192 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 192 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 192 G C 1.023 175.393 174.900 -0.883 0.000 1.146 192 G CA 0.125 44.814 45.100 -0.685 0.000 0.793 192 G HN 0.634 nan 8.290 nan 0.000 0.537 193 F N 1.477 120.704 119.950 -1.206 0.000 2.699 193 F HA 0.045 4.572 4.527 0.000 0.000 0.298 193 F C 2.827 178.324 175.800 -0.505 0.000 1.154 193 F CA 0.809 58.190 58.000 -1.032 0.000 1.457 193 F CB -0.032 38.377 39.000 -0.985 0.000 1.106 193 F HN 0.365 nan 8.300 nan 0.000 0.585 194 Q N -0.833 118.662 119.800 -0.507 0.000 2.435 194 Q HA -0.093 4.247 4.340 0.000 0.000 0.207 194 Q C -0.517 175.369 176.000 -0.190 0.000 0.956 194 Q CA 0.798 56.445 55.803 -0.261 0.000 0.917 194 Q CB -0.313 28.189 28.738 -0.392 0.000 0.997 194 Q HN 0.270 nan 8.270 nan 0.000 0.497 195 Y N 2.021 122.290 120.300 -0.051 0.000 2.342 195 Y HA 0.288 4.838 4.550 0.000 0.000 0.334 195 Y C 0.635 176.270 175.900 -0.442 0.000 1.067 195 Y CA -1.421 56.575 58.100 -0.173 0.000 1.128 195 Y CB 1.453 39.786 38.460 -0.211 0.000 1.200 195 Y HN 0.109 nan 8.280 nan 0.000 0.464 196 S N 2.832 118.187 115.700 -0.575 0.000 2.608 196 S HA 0.191 4.662 4.470 0.000 0.000 0.261 196 S C -1.992 172.276 174.600 -0.552 0.000 1.314 196 S CA -0.982 56.513 58.200 -1.175 0.000 0.992 196 S CB 1.060 63.828 63.200 -0.720 0.000 0.935 196 S HN 0.436 nan 8.310 nan 0.000 0.564 197 P HA 0.041 nan 4.420 nan 0.000 0.217 197 P C 1.711 178.914 177.300 -0.162 0.000 1.150 197 P CA 1.537 64.489 63.100 -0.246 0.000 0.832 197 P CB -0.518 31.081 31.700 -0.168 0.000 0.787 198 G N -0.138 108.533 108.800 -0.215 0.000 2.418 198 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 198 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 198 G C 1.549 176.388 174.900 -0.102 0.000 1.158 198 G CA 0.629 45.669 45.100 -0.100 0.000 0.771 198 G HN 0.299 nan 8.290 nan 0.000 0.545 199 Q N -0.541 119.177 119.800 -0.136 0.000 2.079 199 Q HA 0.003 4.344 4.340 0.000 0.000 0.200 199 Q C 2.622 178.444 176.000 -0.295 0.000 0.974 199 Q CA 0.980 56.704 55.803 -0.131 0.000 0.840 199 Q CB -0.146 28.600 28.738 0.013 0.000 0.898 199 Q HN 0.445 nan 8.270 nan 0.000 0.430 200 R N 0.317 120.661 120.500 -0.259 0.000 2.073 200 R HA -0.129 4.212 4.340 0.000 0.000 0.234 200 R C 2.207 178.407 176.300 -0.167 0.000 1.134 200 R CA 1.176 57.105 56.100 -0.284 0.000 0.952 200 R CB -0.358 29.874 30.300 -0.114 0.000 0.850 200 R HN 0.163 nan 8.270 nan 0.000 0.433 201 V N 1.212 121.063 119.914 -0.105 0.000 2.490 201 V HA -0.200 3.920 4.120 0.000 0.000 0.250 201 V C 2.111 178.138 176.094 -0.112 0.000 1.061 201 V CA 2.161 64.414 62.300 -0.078 0.000 1.064 201 V CB -0.255 31.564 31.823 -0.006 0.000 0.670 201 V HN 0.467 nan 8.190 nan 0.000 0.461 202 E N -0.956 119.182 120.200 -0.103 0.000 2.072 202 E HA -0.238 4.112 4.350 0.000 0.000 0.191 202 E C 2.062 178.590 176.600 -0.121 0.000 0.985 202 E CA 1.522 57.862 56.400 -0.101 0.000 0.801 202 E CB -0.243 29.417 29.700 -0.067 0.000 0.750 202 E HN 0.664 nan 8.360 nan 0.000 0.452 203 F N 1.194 120.955 119.950 -0.314 0.000 2.146 203 F HA -0.131 4.396 4.527 0.000 0.000 0.298 203 F C 1.866 177.538 175.800 -0.214 0.000 1.096 203 F CA 1.176 58.983 58.000 -0.320 0.000 1.275 203 F CB -0.120 38.521 39.000 -0.599 0.000 1.008 203 F HN -0.012 nan 8.300 nan 0.000 0.480 204 L N -0.729 120.391 121.223 -0.173 0.000 2.017 204 L HA -0.221 4.119 4.340 0.000 0.000 0.208 204 L C 2.367 179.099 176.870 -0.230 0.000 1.073 204 L CA 1.185 55.902 54.840 -0.205 0.000 0.745 204 L CB -0.869 41.110 42.059 -0.134 0.000 0.894 204 L HN -0.002 nan 8.230 nan 0.000 0.432 205 V N -0.137 119.621 119.914 -0.261 0.000 2.358 205 V HA -0.244 3.876 4.120 0.000 0.000 0.246 205 V C 2.173 178.150 176.094 -0.194 0.000 1.047 205 V CA 1.740 63.859 62.300 -0.302 0.000 1.035 205 V CB -0.719 30.776 31.823 -0.546 0.000 0.658 205 V HN 0.461 nan 8.190 nan 0.000 0.452 206 N N 0.210 118.779 118.700 -0.218 0.000 2.223 206 N HA -0.131 4.609 4.740 0.000 0.000 0.185 206 N C 1.887 177.268 175.510 -0.215 0.000 1.016 206 N CA 1.892 54.830 53.050 -0.186 0.000 0.863 206 N CB -0.503 37.882 38.487 -0.170 0.000 0.983 206 N HN 0.487 nan 8.380 nan 0.000 0.429 207 T N 0.012 114.367 114.554 -0.331 0.000 2.812 207 T HA -0.099 4.251 4.350 0.000 0.000 0.264 207 T C 1.511 176.122 174.700 -0.148 0.000 1.042 207 T CA 0.394 62.298 62.100 -0.327 0.000 1.140 207 T CB -0.137 68.404 68.868 -0.545 0.000 0.870 207 T HN 0.406 nan 8.240 nan 0.000 0.445 208 W N 2.437 123.580 121.300 -0.262 0.000 2.355 208 W HA -0.115 4.545 4.660 0.000 0.000 0.309 208 W C 1.886 178.316 176.519 -0.147 0.000 1.206 208 W CA 1.250 58.482 57.345 -0.188 0.000 1.284 208 W CB -0.167 29.177 29.460 -0.193 0.000 1.145 208 W HN 0.243 nan 8.180 nan 0.000 0.502 209 K N 0.291 120.700 120.400 0.016 0.000 2.147 209 K HA -0.167 4.153 4.320 0.000 0.000 0.205 209 K C 2.160 178.693 176.600 -0.111 0.000 1.049 209 K CA 1.820 58.080 56.287 -0.046 0.000 0.936 209 K CB -0.500 31.984 32.500 -0.027 0.000 0.722 209 K HN 0.067 nan 8.250 nan 0.000 0.446 210 S N 0.800 116.423 115.700 -0.129 0.000 2.500 210 S HA -0.062 4.408 4.470 0.000 0.000 0.239 210 S C 0.509 175.022 174.600 -0.145 0.000 0.989 210 S CA 0.592 58.717 58.200 -0.126 0.000 0.951 210 S CB -0.046 63.077 63.200 -0.128 0.000 0.759 210 S HN -0.008 nan 8.310 nan 0.000 0.523 211 K N 1.460 121.732 120.400 -0.212 0.000 2.110 211 K HA 0.395 4.715 4.320 0.000 0.000 0.263 211 K C 0.618 177.098 176.600 -0.201 0.000 0.975 211 K CA -0.529 55.625 56.287 -0.222 0.000 0.895 211 K CB 1.113 33.422 32.500 -0.318 0.000 1.060 211 K HN 0.132 nan 8.250 nan 0.000 0.448 212 K N 0.913 121.224 120.400 -0.147 0.000 2.002 212 K HA -0.045 4.275 4.320 0.000 0.000 0.209 212 K C 0.258 176.779 176.600 -0.131 0.000 1.048 212 K CA 1.164 57.383 56.287 -0.114 0.000 0.930 212 K CB 0.126 32.578 32.500 -0.080 0.000 0.714 212 K HN 0.413 nan 8.250 nan 0.000 0.438 213 N N 1.245 119.856 118.700 -0.149 0.000 2.716 213 N HA 0.204 4.944 4.740 0.000 0.000 0.253 213 N C -2.859 172.525 175.510 -0.210 0.000 1.170 213 N CA -1.126 51.840 53.050 -0.141 0.000 0.807 213 N CB 1.712 40.151 38.487 -0.079 0.000 1.183 213 N HN 0.036 nan 8.380 nan 0.000 0.524 214 P HA 0.157 nan 4.420 nan 0.000 0.275 214 P C -0.257 176.749 177.300 -0.490 0.000 1.227 214 P CA -0.296 62.353 63.100 -0.752 0.000 0.781 214 P CB 1.341 31.957 31.700 -1.806 0.000 0.906 215 M N 2.022 121.419 119.600 -0.339 0.000 2.572 215 M HA 0.705 5.185 4.480 0.000 0.000 0.299 215 M C -1.149 175.130 176.300 -0.034 0.000 1.205 215 M CA -0.439 54.780 55.300 -0.135 0.000 0.876 215 M CB 2.565 35.152 32.600 -0.021 0.000 1.728 215 M HN 0.568 nan 8.290 nan 0.000 0.458 216 G N 3.157 112.035 108.800 0.129 0.000 2.696 216 G HA2 0.769 4.729 3.960 0.000 0.000 0.295 216 G HA3 0.769 4.729 3.960 0.000 0.000 0.295 216 G C -2.038 172.953 174.900 0.151 0.000 1.398 216 G CA -0.596 44.608 45.100 0.173 0.000 0.920 216 G HN 0.817 nan 8.290 nan 0.000 0.492 217 F N -0.069 119.844 119.950 -0.061 0.000 2.654 217 F HA 0.834 5.361 4.527 0.000 0.000 0.308 217 F C -0.224 175.550 175.800 -0.044 0.000 1.108 217 F CA -1.399 56.556 58.000 -0.075 0.000 0.957 217 F CB 1.579 40.512 39.000 -0.112 0.000 1.309 217 F HN 0.656 nan 8.300 nan 0.000 0.446 218 S N 1.291 117.052 115.700 0.102 0.000 2.593 218 S HA 0.671 5.141 4.470 0.000 0.000 0.297 218 S C -1.648 173.119 174.600 0.278 0.000 1.112 218 S CA -0.579 57.657 58.200 0.061 0.000 1.043 218 S CB 1.685 64.908 63.200 0.038 0.000 1.054 218 S HN 0.899 nan 8.310 nan 0.000 0.516 219 Y N 1.414 121.797 120.300 0.138 0.000 2.331 219 Y HA 0.466 5.016 4.550 0.000 0.000 0.334 219 Y C -1.086 174.929 175.900 0.192 0.000 0.960 219 Y CA -0.838 57.412 58.100 0.250 0.000 1.130 219 Y CB 1.494 40.201 38.460 0.412 0.000 1.164 219 Y HN 0.872 nan 8.280 nan 0.000 0.458 220 D N 4.523 124.748 120.400 -0.291 0.000 2.443 220 D HA 0.218 4.858 4.640 0.000 0.000 0.221 220 D C -0.837 175.277 176.300 -0.310 0.000 1.097 220 D CA -0.123 53.767 54.000 -0.182 0.000 0.865 220 D CB 0.888 41.624 40.800 -0.106 0.000 1.034 220 D HN 0.470 nan 8.370 nan 0.000 0.511 221 T N 3.982 118.516 114.554 -0.033 0.000 2.814 221 T HA 0.152 4.502 4.350 0.000 0.000 0.297 221 T C 0.628 175.410 174.700 0.137 0.000 0.956 221 T CA -0.443 61.736 62.100 0.132 0.000 1.123 221 T CB 0.630 69.810 68.868 0.519 0.000 0.902 221 T HN 0.260 nan 8.240 nan 0.000 0.528 222 R N 1.935 122.473 120.500 0.065 0.000 2.458 222 R HA 0.053 4.393 4.340 0.000 0.000 0.303 222 R C 0.100 176.505 176.300 0.174 0.000 1.013 222 R CA -0.043 56.095 56.100 0.064 0.000 1.026 222 R CB -0.403 29.874 30.300 -0.039 0.000 0.948 222 R HN 0.960 nan 8.270 nan 0.000 0.417 223 C N 5.159 124.593 119.300 0.223 0.000 3.349 223 C HA -0.173 4.288 4.460 0.000 0.000 0.275 223 C C 1.521 176.732 174.990 0.369 0.000 1.322 223 C CA 0.092 59.298 59.018 0.313 0.000 2.261 223 C CB -2.820 25.166 27.740 0.410 0.000 1.446 223 C HN 0.968 nan 8.230 nan 0.000 0.533 224 F N 1.793 121.864 119.950 0.202 0.000 2.115 224 F HA -0.193 4.335 4.527 0.000 0.000 0.300 224 F C 1.911 177.827 175.800 0.193 0.000 1.092 224 F CA 2.434 60.553 58.000 0.198 0.000 1.245 224 F CB -0.006 39.097 39.000 0.172 0.000 0.995 224 F HN 0.459 nan 8.300 nan 0.000 0.481 225 D N -0.491 120.160 120.400 0.419 0.000 2.149 225 D HA -0.160 4.480 4.640 0.000 0.000 0.198 225 D C 2.433 178.810 176.300 0.129 0.000 0.990 225 D CA 1.644 55.818 54.000 0.290 0.000 0.839 225 D CB -0.455 40.514 40.800 0.281 0.000 0.948 225 D HN 0.234 nan 8.370 nan 0.000 0.460 226 S N -0.717 115.076 115.700 0.155 0.000 2.481 226 S HA -0.082 4.388 4.470 0.000 0.000 0.231 226 S C 1.945 176.522 174.600 -0.039 0.000 0.996 226 S CA 1.231 59.427 58.200 -0.007 0.000 0.942 226 S CB -0.125 63.048 63.200 -0.045 0.000 0.768 226 S HN 0.510 nan 8.310 nan 0.000 0.520 227 T N -0.631 113.978 114.554 0.091 0.000 3.088 227 T HA 0.157 4.508 4.350 0.000 0.000 0.259 227 T C 0.554 175.193 174.700 -0.102 0.000 1.122 227 T CA -0.029 62.110 62.100 0.066 0.000 1.095 227 T CB -0.330 68.538 68.868 -0.000 0.000 0.930 227 T HN 0.015 nan 8.240 nan 0.000 0.508 228 V N 3.989 123.811 119.914 -0.152 0.000 2.470 228 V HA 0.352 4.472 4.120 0.000 0.000 0.276 228 V C 1.055 177.102 176.094 -0.077 0.000 1.040 228 V CA -0.322 61.904 62.300 -0.122 0.000 1.008 228 V CB 0.271 32.060 31.823 -0.056 0.000 0.990 228 V HN 0.709 nan 8.190 nan 0.000 0.477 229 T N 0.673 115.192 114.554 -0.059 0.000 2.936 229 T HA 0.339 4.689 4.350 0.000 0.000 0.282 229 T C 1.020 175.702 174.700 -0.030 0.000 1.003 229 T CA -0.395 61.674 62.100 -0.052 0.000 1.005 229 T CB 1.621 70.451 68.868 -0.062 0.000 1.097 229 T HN 0.683 nan 8.240 nan 0.000 0.532 230 E N 0.585 120.773 120.200 -0.021 0.000 2.097 230 E HA -0.306 4.045 4.350 0.000 0.000 0.196 230 E C 1.906 178.505 176.600 -0.001 0.000 1.000 230 E CA 1.809 58.209 56.400 0.000 0.000 0.804 230 E CB -0.240 29.466 29.700 0.011 0.000 0.740 230 E HN 0.779 nan 8.360 nan 0.000 0.454 231 N N 0.539 119.228 118.700 -0.018 0.000 2.069 231 N HA -0.206 4.534 4.740 0.000 0.000 0.191 231 N C 1.484 176.997 175.510 0.006 0.000 1.031 231 N CA 2.138 55.179 53.050 -0.015 0.000 0.852 231 N CB -0.108 38.351 38.487 -0.046 0.000 1.018 231 N HN 0.141 nan 8.380 nan 0.000 0.423 232 D N 0.038 120.441 120.400 0.005 0.000 2.123 232 D HA -0.129 4.511 4.640 0.000 0.000 0.196 232 D C 1.952 178.259 176.300 0.011 0.000 0.992 232 D CA 1.063 55.079 54.000 0.027 0.000 0.833 232 D CB -0.259 40.552 40.800 0.018 0.000 0.954 232 D HN 0.478 nan 8.370 nan 0.000 0.455 233 I N 0.472 121.050 120.570 0.013 0.000 2.439 233 I HA -0.147 4.023 4.170 0.000 0.000 0.251 233 I C 2.445 178.568 176.117 0.010 0.000 1.139 233 I CA 0.720 62.035 61.300 0.025 0.000 1.438 233 I CB -0.035 38.005 38.000 0.066 0.000 1.085 233 I HN -0.129 nan 8.210 nan 0.000 0.427 234 R N 0.061 120.566 120.500 0.008 0.000 2.115 234 R HA -0.063 4.277 4.340 0.000 0.000 0.226 234 R C 2.325 178.599 176.300 -0.042 0.000 1.100 234 R CA 0.939 57.038 56.100 -0.001 0.000 0.980 234 R CB -0.327 29.977 30.300 0.007 0.000 0.875 234 R HN 0.201 nan 8.270 nan 0.000 0.445 235 V N 1.447 121.336 119.914 -0.042 0.000 2.343 235 V HA -0.238 3.882 4.120 0.000 0.000 0.247 235 V C 1.926 177.913 176.094 -0.178 0.000 1.051 235 V CA 1.828 64.087 62.300 -0.070 0.000 1.036 235 V CB -0.386 31.430 31.823 -0.010 0.000 0.654 235 V HN 0.339 nan 8.190 nan 0.000 0.451 236 E N -0.333 119.728 120.200 -0.232 0.000 2.085 236 E HA -0.263 4.087 4.350 0.000 0.000 0.194 236 E C 2.363 178.430 176.600 -0.889 0.000 0.994 236 E CA 1.374 57.464 56.400 -0.517 0.000 0.801 236 E CB -0.196 29.266 29.700 -0.396 0.000 0.743 236 E HN 0.558 nan 8.360 nan 0.000 0.453 237 E N 0.644 120.569 120.200 -0.459 0.000 2.085 237 E HA -0.199 4.151 4.350 0.000 0.000 0.194 237 E C 2.153 178.668 176.600 -0.142 0.000 0.994 237 E CA 1.593 57.862 56.400 -0.219 0.000 0.801 237 E CB 0.003 29.721 29.700 0.030 0.000 0.743 237 E HN 0.252 nan 8.360 nan 0.000 0.453 238 S N 0.182 115.802 115.700 -0.133 0.000 2.402 238 S HA -0.114 4.356 4.470 0.000 0.000 0.229 238 S C 2.162 176.711 174.600 -0.085 0.000 1.021 238 S CA 0.878 59.035 58.200 -0.073 0.000 0.974 238 S CB -0.537 62.629 63.200 -0.057 0.000 0.800 238 S HN 0.261 nan 8.310 nan 0.000 0.484 239 I N 0.348 120.816 120.570 -0.171 0.000 2.163 239 I HA -0.156 4.015 4.170 0.000 0.000 0.240 239 I C 2.411 178.523 176.117 -0.009 0.000 1.081 239 I CA 1.440 62.664 61.300 -0.127 0.000 1.353 239 I CB -0.642 37.248 38.000 -0.184 0.000 1.054 239 I HN 0.200 nan 8.210 nan 0.000 0.407 240 Y N 1.234 121.528 120.300 -0.010 0.000 2.114 240 Y HA -0.277 4.273 4.550 0.000 0.000 0.282 240 Y C 2.682 178.585 175.900 0.005 0.000 1.165 240 Y CA 0.865 58.964 58.100 -0.002 0.000 1.148 240 Y CB -1.260 37.214 38.460 0.023 0.000 0.972 240 Y HN 0.281 nan 8.280 nan 0.000 0.504 241 Q N -1.159 118.734 119.800 0.156 0.000 2.437 241 Q HA -0.112 4.228 4.340 0.000 0.000 0.210 241 Q C 2.354 178.386 176.000 0.053 0.000 0.972 241 Q CA 0.977 56.835 55.803 0.092 0.000 0.903 241 Q CB -0.794 27.981 28.738 0.063 0.000 0.967 241 Q HN 0.544 nan 8.270 nan 0.000 0.486 242 C N 0.341 119.665 119.300 0.039 0.000 2.419 242 C HA -0.077 4.383 4.460 0.000 0.000 0.281 242 C C 1.667 176.672 174.990 0.024 0.000 1.336 242 C CA -0.624 58.407 59.018 0.020 0.000 1.770 242 C CB -0.794 26.949 27.740 0.004 0.000 1.929 242 C HN 0.425 nan 8.230 nan 0.000 0.509 243 C N 2.082 121.405 119.300 0.038 0.000 2.741 243 C HA 0.086 4.546 4.460 0.000 0.000 0.403 243 C C 0.640 175.647 174.990 0.028 0.000 1.282 243 C CA -0.210 58.826 59.018 0.030 0.000 2.053 243 C CB -0.349 27.413 27.740 0.037 0.000 2.731 243 C HN 0.519 nan 8.230 nan 0.000 0.680 244 D N 1.960 122.372 120.400 0.020 0.000 2.374 244 D HA 0.399 5.039 4.640 0.000 0.000 0.240 244 D C -0.561 175.755 176.300 0.027 0.000 1.229 244 D CA 0.308 54.320 54.000 0.021 0.000 0.895 244 D CB -0.108 40.700 40.800 0.014 0.000 1.046 244 D HN 0.399 nan 8.370 nan 0.000 0.498 245 L N 2.086 123.330 121.223 0.035 0.000 2.341 245 L HA 0.667 5.007 4.340 0.000 0.000 0.267 245 L C 0.596 177.494 176.870 0.046 0.000 1.009 245 L CA -1.431 53.436 54.840 0.045 0.000 0.819 245 L CB 1.780 43.873 42.059 0.056 0.000 1.323 245 L HN 0.292 nan 8.230 nan 0.000 0.425 246 A N 2.033 124.887 122.820 0.056 0.000 2.425 246 A HA 0.343 4.663 4.320 0.000 0.000 0.242 246 A C -1.784 175.838 177.584 0.063 0.000 1.077 246 A CA -0.803 51.269 52.037 0.059 0.000 0.781 246 A CB -0.188 18.855 19.000 0.072 0.000 1.020 246 A HN 0.646 nan 8.150 nan 0.000 0.494 247 P HA -0.167 nan 4.420 nan 0.000 0.215 247 P C 1.133 178.462 177.300 0.049 0.000 1.153 247 P CA 1.569 64.695 63.100 0.043 0.000 0.853 247 P CB 0.136 31.856 31.700 0.033 0.000 0.788 248 E N -0.492 119.760 120.200 0.086 0.000 2.077 248 E HA -0.182 4.168 4.350 0.000 0.000 0.193 248 E C 2.091 178.763 176.600 0.120 0.000 0.989 248 E CA 1.309 57.778 56.400 0.114 0.000 0.800 248 E CB -0.566 29.294 29.700 0.266 0.000 0.746 248 E HN 0.153 nan 8.360 nan 0.000 0.452 249 A N 1.746 124.672 122.820 0.177 0.000 1.908 249 A HA -0.226 4.094 4.320 0.000 0.000 0.218 249 A C 2.086 179.719 177.584 0.082 0.000 1.181 249 A CA 1.394 53.535 52.037 0.174 0.000 0.627 249 A CB -0.473 18.619 19.000 0.154 0.000 0.818 249 A HN 0.114 nan 8.150 nan 0.000 0.445 250 R N -1.131 119.404 120.500 0.058 0.000 2.091 250 R HA -0.204 4.137 4.340 0.000 0.000 0.238 250 R C 2.491 178.793 176.300 0.002 0.000 1.136 250 R CA 1.754 57.878 56.100 0.039 0.000 0.959 250 R CB -0.333 29.987 30.300 0.032 0.000 0.856 250 R HN 0.672 nan 8.270 nan 0.000 0.437 251 Q N 0.782 120.561 119.800 -0.035 0.000 2.046 251 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 251 Q C 1.996 177.905 176.000 -0.153 0.000 0.975 251 Q CA 1.944 57.694 55.803 -0.089 0.000 0.836 251 Q CB -0.262 28.412 28.738 -0.108 0.000 0.896 251 Q HN 0.324 nan 8.270 nan 0.000 0.428 252 A N 0.215 122.897 122.820 -0.230 0.000 1.940 252 A HA -0.163 4.158 4.320 0.000 0.000 0.219 252 A C 2.120 179.625 177.584 -0.131 0.000 1.176 252 A CA 1.635 53.479 52.037 -0.321 0.000 0.631 252 A CB -0.769 17.914 19.000 -0.529 0.000 0.814 252 A HN 0.500 nan 8.150 nan 0.000 0.446 253 I N -0.809 119.749 120.570 -0.021 0.000 2.353 253 I HA -0.208 3.962 4.170 0.000 0.000 0.248 253 I C 2.517 178.673 176.117 0.065 0.000 1.119 253 I CA 1.508 62.851 61.300 0.072 0.000 1.417 253 I CB -0.222 37.858 38.000 0.133 0.000 1.078 253 I HN 0.355 nan 8.210 nan 0.000 0.421 254 K N 0.623 121.035 120.400 0.020 0.000 2.026 254 K HA -0.220 4.100 4.320 0.000 0.000 0.208 254 K C 2.367 178.944 176.600 -0.038 0.000 1.048 254 K CA 1.927 58.218 56.287 0.006 0.000 0.929 254 K CB -0.126 32.367 32.500 -0.013 0.000 0.713 254 K HN 0.132 nan 8.250 nan 0.000 0.439 255 S N 0.728 116.375 115.700 -0.089 0.000 2.356 255 S HA -0.077 4.393 4.470 0.000 0.000 0.223 255 S C 2.028 176.528 174.600 -0.167 0.000 1.032 255 S CA 1.039 59.163 58.200 -0.127 0.000 1.005 255 S CB -0.203 62.893 63.200 -0.173 0.000 0.867 255 S HN 0.332 nan 8.310 nan 0.000 0.449 256 L N 0.711 121.802 121.223 -0.220 0.000 2.083 256 L HA -0.086 4.254 4.340 0.000 0.000 0.209 256 L C 2.742 179.276 176.870 -0.561 0.000 1.083 256 L CA 1.460 56.035 54.840 -0.441 0.000 0.752 256 L CB -0.927 40.817 42.059 -0.525 0.000 0.899 256 L HN 0.326 nan 8.230 nan 0.000 0.433 257 T N -1.013 113.418 114.554 -0.206 0.000 2.708 257 T HA -0.146 4.204 4.350 0.000 0.000 0.266 257 T C 1.798 176.493 174.700 -0.009 0.000 1.037 257 T CA 1.151 63.270 62.100 0.033 0.000 1.146 257 T CB -0.089 68.882 68.868 0.172 0.000 0.865 257 T HN 0.278 nan 8.240 nan 0.000 0.435 258 E N 1.159 121.337 120.200 -0.036 0.000 2.072 258 E HA -0.025 4.325 4.350 0.000 0.000 0.191 258 E C 2.328 178.906 176.600 -0.036 0.000 0.985 258 E CA 1.027 57.413 56.400 -0.022 0.000 0.801 258 E CB -0.127 29.557 29.700 -0.027 0.000 0.750 258 E HN 0.466 nan 8.360 nan 0.000 0.452 259 R N -0.674 119.775 120.500 -0.085 0.000 2.237 259 R HA 0.133 4.473 4.340 0.000 0.000 0.195 259 R C 1.763 178.006 176.300 -0.095 0.000 0.956 259 R CA 0.190 56.243 56.100 -0.077 0.000 1.029 259 R CB 0.336 30.582 30.300 -0.091 0.000 0.972 259 R HN 0.038 nan 8.270 nan 0.000 0.493 260 L N -2.079 119.046 121.223 -0.163 0.000 2.775 260 L HA 0.187 4.527 4.340 0.000 0.000 0.175 260 L C 1.241 178.107 176.870 -0.006 0.000 1.110 260 L CA 0.774 55.526 54.840 -0.148 0.000 0.862 260 L CB -0.317 41.570 42.059 -0.286 0.000 1.381 260 L HN -0.134 nan 8.230 nan 0.000 0.499 261 Y N 0.327 120.646 120.300 0.032 0.000 2.224 261 Y HA -0.067 4.483 4.550 0.000 0.000 0.289 261 Y C 2.585 178.495 175.900 0.018 0.000 1.146 261 Y CA 1.372 59.498 58.100 0.044 0.000 1.182 261 Y CB -0.909 37.601 38.460 0.084 0.000 0.983 261 Y HN 0.146 nan 8.280 nan 0.000 0.524 262 I N -1.121 119.538 120.570 0.149 0.000 2.353 262 I HA -0.009 4.161 4.170 0.000 0.000 0.248 262 I C 1.211 177.344 176.117 0.027 0.000 1.119 262 I CA 1.272 62.619 61.300 0.078 0.000 1.417 262 I CB -0.212 37.824 38.000 0.061 0.000 1.078 262 I HN 0.297 nan 8.210 nan 0.000 0.421 263 G N -1.068 107.730 108.800 -0.004 0.000 2.313 263 G HA2 0.491 4.451 3.960 0.000 0.000 0.296 263 G HA3 0.491 4.451 3.960 0.000 0.000 0.296 263 G C -1.088 173.676 174.900 -0.228 0.000 1.356 263 G CA -0.090 44.946 45.100 -0.107 0.000 0.833 263 G HN 0.389 nan 8.290 nan 0.000 0.552 264 G N -0.843 107.544 108.800 -0.689 0.000 2.328 264 G HA2 0.687 4.647 3.960 0.000 0.000 0.299 264 G HA3 0.687 4.647 3.960 0.000 0.000 0.299 264 G C -3.480 170.746 174.900 -1.123 0.000 1.435 264 G CA 0.003 44.633 45.100 -0.783 0.000 0.865 264 G HN 0.736 nan 8.290 nan 0.000 0.601 265 P HA 0.458 nan 4.420 nan 0.000 0.275 265 P C -0.554 176.650 177.300 -0.160 0.000 1.228 265 P CA -0.168 62.798 63.100 -0.223 0.000 0.786 265 P CB 1.249 32.968 31.700 0.030 0.000 0.927 266 L N 2.179 123.363 121.223 -0.066 0.000 2.313 266 L HA 0.463 4.803 4.340 0.000 0.000 0.283 266 L C 0.451 177.331 176.870 0.016 0.000 1.013 266 L CA -0.208 54.623 54.840 -0.016 0.000 0.816 266 L CB 1.789 43.885 42.059 0.062 0.000 1.236 266 L HN 0.284 nan 8.230 nan 0.000 0.419 267 T N 1.331 115.869 114.554 -0.025 0.000 2.863 267 T HA 0.364 4.714 4.350 0.000 0.000 0.285 267 T C -0.296 174.381 174.700 -0.037 0.000 1.009 267 T CA -0.830 61.255 62.100 -0.025 0.000 0.989 267 T CB 1.580 70.417 68.868 -0.052 0.000 1.004 267 T HN 0.645 nan 8.240 nan 0.000 0.455 268 N N 0.383 119.075 118.700 -0.012 0.000 2.413 268 N HA 0.173 4.913 4.740 0.000 0.000 0.266 268 N C 1.427 176.921 175.510 -0.027 0.000 1.238 268 N CA -0.368 52.674 53.050 -0.014 0.000 0.972 268 N CB 0.167 38.657 38.487 0.004 0.000 1.210 268 N HN 0.456 nan 8.380 nan 0.000 0.547 269 S N -0.795 114.898 115.700 -0.011 0.000 2.442 269 S HA -0.144 4.326 4.470 0.000 0.000 0.236 269 S C 1.028 175.620 174.600 -0.014 0.000 1.007 269 S CA 0.812 59.008 58.200 -0.007 0.000 0.965 269 S CB -0.472 62.739 63.200 0.018 0.000 0.773 269 S HN 0.641 nan 8.310 nan 0.000 0.504 270 K N 0.778 121.172 120.400 -0.011 0.000 2.444 270 K HA 0.272 4.592 4.320 0.000 0.000 0.193 270 K C 1.195 177.784 176.600 -0.019 0.000 1.024 270 K CA 0.351 56.631 56.287 -0.012 0.000 1.077 270 K CB -0.179 32.318 32.500 -0.005 0.000 0.833 270 K HN 0.556 nan 8.250 nan 0.000 0.517 271 G N 1.714 110.498 108.800 -0.025 0.000 2.143 271 G HA2 -0.290 3.671 3.960 0.000 0.000 0.249 271 G HA3 -0.290 3.671 3.960 0.000 0.000 0.249 271 G C -0.291 174.600 174.900 -0.014 0.000 0.981 271 G CA -0.085 44.997 45.100 -0.030 0.000 0.665 271 G HN 0.365 nan 8.290 nan 0.000 0.528 272 Q N 0.106 119.904 119.800 -0.003 0.000 2.230 272 Q HA 0.350 4.690 4.340 0.000 0.000 0.248 272 Q C 0.325 176.340 176.000 0.025 0.000 0.915 272 Q CA -0.655 55.155 55.803 0.012 0.000 0.900 272 Q CB 1.052 29.800 28.738 0.017 0.000 1.229 272 Q HN 0.366 nan 8.270 nan 0.000 0.439 273 N N 1.326 120.048 118.700 0.038 0.000 2.442 273 N HA 0.012 4.752 4.740 0.000 0.000 0.265 273 N C -0.316 175.249 175.510 0.091 0.000 1.138 273 N CA -0.271 52.814 53.050 0.059 0.000 0.956 273 N CB 0.673 39.197 38.487 0.062 0.000 1.067 273 N HN 0.609 nan 8.380 nan 0.000 0.474 274 C N 2.761 122.136 119.300 0.125 0.000 2.611 274 C HA 0.421 4.881 4.460 0.000 0.000 0.282 274 C C 1.246 176.430 174.990 0.322 0.000 1.321 274 C CA 0.572 59.718 59.018 0.214 0.000 1.747 274 C CB -0.800 27.083 27.740 0.238 0.000 2.124 274 C HN 0.959 nan 8.230 nan 0.000 0.531 275 G N -1.444 107.479 108.800 0.204 0.000 2.403 275 G HA2 0.283 4.243 3.960 0.000 0.000 0.223 275 G HA3 0.283 4.243 3.960 0.000 0.000 0.223 275 G C -2.100 172.844 174.900 0.075 0.000 1.287 275 G CA -0.333 44.843 45.100 0.126 0.000 0.982 275 G HN 0.044 nan 8.290 nan 0.000 0.471 276 Y N 0.622 120.801 120.300 -0.201 0.000 2.479 276 Y HA 0.748 5.298 4.550 0.000 0.000 0.338 276 Y C -0.123 175.644 175.900 -0.222 0.000 1.055 276 Y CA -0.829 57.175 58.100 -0.160 0.000 1.023 276 Y CB 2.030 40.410 38.460 -0.133 0.000 1.287 276 Y HN 0.694 nan 8.280 nan 0.000 0.447 277 R N 4.653 124.896 120.500 -0.428 0.000 2.460 277 R HA 0.577 4.917 4.340 0.000 0.000 0.303 277 R C -0.851 175.262 176.300 -0.313 0.000 0.968 277 R CA -0.633 55.222 56.100 -0.409 0.000 0.889 277 R CB 0.912 31.038 30.300 -0.290 0.000 1.123 277 R HN 0.907 nan 8.270 nan 0.000 0.455 278 R N 3.407 123.708 120.500 -0.333 0.000 2.698 278 R HA 0.229 4.569 4.340 0.000 0.000 0.422 278 R C -0.674 175.495 176.300 -0.219 0.000 1.073 278 R CA -0.379 55.622 56.100 -0.165 0.000 1.054 278 R CB 0.419 30.673 30.300 -0.075 0.000 1.373 278 R HN 0.779 nan 8.270 nan 0.000 0.593 279 C N -2.001 117.127 119.300 -0.286 0.000 3.311 279 C HA 0.614 5.074 4.460 0.000 0.000 0.366 279 C C -0.446 174.482 174.990 -0.104 0.000 1.694 279 C CA -1.522 57.366 59.018 -0.217 0.000 1.244 279 C CB 1.255 28.795 27.740 -0.335 0.000 2.038 279 C HN 0.431 nan 8.230 nan 0.000 0.436 280 R N 1.331 121.819 120.500 -0.021 0.000 2.484 280 R HA 0.480 4.820 4.340 0.000 0.000 0.293 280 R C 0.167 176.522 176.300 0.091 0.000 1.023 280 R CA 0.971 57.109 56.100 0.064 0.000 1.037 280 R CB -0.121 30.256 30.300 0.128 0.000 0.951 280 R HN 1.272 nan 8.270 nan 0.000 0.418 281 A N 3.684 126.571 122.820 0.113 0.000 2.409 281 A HA 0.200 4.520 4.320 0.000 0.000 0.262 281 A C 0.933 178.616 177.584 0.165 0.000 1.113 281 A CA 0.140 52.267 52.037 0.149 0.000 0.790 281 A CB 0.310 19.409 19.000 0.164 0.000 1.046 281 A HN 1.008 nan 8.150 nan 0.000 0.496 282 S N 1.931 117.744 115.700 0.189 0.000 2.522 282 S HA 0.115 4.585 4.470 0.000 0.000 0.227 282 S C 1.015 175.714 174.600 0.164 0.000 0.986 282 S CA 0.625 58.932 58.200 0.178 0.000 0.929 282 S CB 0.133 63.446 63.200 0.189 0.000 0.769 282 S HN 1.297 nan 8.310 nan 0.000 0.529 283 G N 1.706 110.623 108.800 0.195 0.000 4.828 283 G HA2 0.527 4.487 3.960 0.000 0.000 0.294 283 G HA3 0.527 4.487 3.960 0.000 0.000 0.294 283 G C -0.275 174.748 174.900 0.204 0.000 1.288 283 G CA -0.178 45.042 45.100 0.200 0.000 0.987 283 G HN 0.538 nan 8.290 nan 0.000 0.587 284 V N -2.452 117.562 119.914 0.166 0.000 3.074 284 V HA 0.584 4.704 4.120 0.000 0.000 0.314 284 V C 1.313 177.470 176.094 0.106 0.000 1.117 284 V CA -0.967 61.441 62.300 0.180 0.000 1.014 284 V CB 1.715 33.695 31.823 0.262 0.000 1.057 284 V HN 0.069 nan 8.190 nan 0.000 0.438 285 L N 2.414 123.711 121.223 0.124 0.000 2.079 285 L HA -0.068 4.273 4.340 0.000 0.000 0.210 285 L C 2.306 179.181 176.870 0.009 0.000 1.081 285 L CA 3.130 58.029 54.840 0.098 0.000 0.752 285 L CB -0.701 41.442 42.059 0.141 0.000 0.896 285 L HN 1.111 nan 8.230 nan 0.000 0.433 286 T N -6.162 108.317 114.554 -0.125 0.000 3.129 286 T HA 0.004 4.354 4.350 0.000 0.000 0.251 286 T C 1.563 176.199 174.700 -0.106 0.000 1.117 286 T CA 0.691 62.671 62.100 -0.200 0.000 1.034 286 T CB -0.675 67.904 68.868 -0.483 0.000 0.968 286 T HN 0.271 nan 8.240 nan 0.000 0.526 287 T N 1.938 116.464 114.554 -0.048 0.000 2.684 287 T HA -0.161 4.189 4.350 0.000 0.000 0.267 287 T C 2.192 176.913 174.700 0.034 0.000 1.036 287 T CA 1.809 63.921 62.100 0.020 0.000 1.148 287 T CB -0.587 68.317 68.868 0.059 0.000 0.863 287 T HN 0.552 nan 8.240 nan 0.000 0.436 288 S N -0.343 115.351 115.700 -0.010 0.000 2.345 288 S HA -0.121 4.349 4.470 0.000 0.000 0.219 288 S C 2.441 177.063 174.600 0.036 0.000 1.031 288 S CA 1.202 59.389 58.200 -0.022 0.000 0.984 288 S CB -0.943 62.129 63.200 -0.212 0.000 0.874 288 S HN 0.658 nan 8.310 nan 0.000 0.451 289 C N 1.381 120.673 119.300 -0.014 0.000 2.413 289 C HA 0.061 4.521 4.460 0.000 0.000 0.276 289 C C 2.830 177.874 174.990 0.090 0.000 1.236 289 C CA 1.231 60.261 59.018 0.019 0.000 1.735 289 C CB -1.785 25.928 27.740 -0.044 0.000 2.031 289 C HN 0.727 nan 8.230 nan 0.000 0.474 290 G N 0.228 109.092 108.800 0.108 0.000 2.418 290 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 290 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 290 G C 1.502 176.501 174.900 0.164 0.000 1.158 290 G CA 1.038 46.214 45.100 0.128 0.000 0.771 290 G HN 0.586 nan 8.290 nan 0.000 0.545 291 N N 0.435 119.240 118.700 0.175 0.000 2.120 291 N HA -0.081 4.659 4.740 0.000 0.000 0.188 291 N C 2.408 177.989 175.510 0.119 0.000 1.024 291 N CA 1.645 54.815 53.050 0.200 0.000 0.852 291 N CB -0.703 37.806 38.487 0.036 0.000 1.003 291 N HN 0.245 nan 8.380 nan 0.000 0.424 292 T N 1.596 116.222 114.554 0.121 0.000 2.674 292 T HA -0.016 4.334 4.350 0.000 0.000 0.265 292 T C 2.119 176.909 174.700 0.150 0.000 1.039 292 T CA 0.759 62.943 62.100 0.140 0.000 1.150 292 T CB -0.405 68.602 68.868 0.231 0.000 0.864 292 T HN 0.118 nan 8.240 nan 0.000 0.427 293 L N 0.645 121.932 121.223 0.107 0.000 2.012 293 L HA -0.152 4.188 4.340 0.000 0.000 0.210 293 L C 2.918 179.884 176.870 0.160 0.000 1.073 293 L CA 1.365 56.255 54.840 0.083 0.000 0.748 293 L CB -1.034 41.036 42.059 0.018 0.000 0.891 293 L HN 0.303 nan 8.230 nan 0.000 0.431 294 T N -1.598 113.069 114.554 0.189 0.000 2.857 294 T HA -0.192 4.158 4.350 0.000 0.000 0.266 294 T C 1.998 176.892 174.700 0.324 0.000 1.048 294 T CA 1.256 63.492 62.100 0.228 0.000 1.139 294 T CB -0.384 68.633 68.868 0.248 0.000 0.874 294 T HN 0.462 nan 8.240 nan 0.000 0.455 295 C N 0.702 120.249 119.300 0.413 0.000 2.429 295 C HA -0.082 4.378 4.460 0.000 0.000 0.277 295 C C 2.355 177.511 174.990 0.277 0.000 1.262 295 C CA 0.443 59.696 59.018 0.392 0.000 1.733 295 C CB -1.369 26.493 27.740 0.202 0.000 2.010 295 C HN 0.649 nan 8.230 nan 0.000 0.483 296 Y N 0.947 121.316 120.300 0.115 0.000 2.145 296 Y HA -0.113 4.437 4.550 0.000 0.000 0.286 296 Y C 2.208 178.132 175.900 0.040 0.000 1.145 296 Y CA 2.088 60.231 58.100 0.072 0.000 1.148 296 Y CB -0.625 37.860 38.460 0.042 0.000 0.981 296 Y HN 0.324 nan 8.280 nan 0.000 0.507 297 L N 1.269 122.574 121.223 0.138 0.000 1.971 297 L HA -0.265 4.075 4.340 0.000 0.000 0.215 297 L C 2.124 178.921 176.870 -0.121 0.000 1.072 297 L CA 2.173 56.975 54.840 -0.063 0.000 0.758 297 L CB -1.014 40.975 42.059 -0.117 0.000 0.889 297 L HN 0.204 nan 8.230 nan 0.000 0.433 298 K N -0.586 119.814 120.400 -0.001 0.000 2.057 298 K HA -0.105 4.215 4.320 0.000 0.000 0.207 298 K C 2.055 178.692 176.600 0.061 0.000 1.049 298 K CA 1.406 57.723 56.287 0.050 0.000 0.931 298 K CB -0.456 32.152 32.500 0.180 0.000 0.714 298 K HN 0.515 nan 8.250 nan 0.000 0.440 299 A N 1.283 124.126 122.820 0.038 0.000 1.898 299 A HA -0.135 4.185 4.320 0.000 0.000 0.216 299 A C 2.250 179.856 177.584 0.036 0.000 1.181 299 A CA 1.755 53.831 52.037 0.065 0.000 0.620 299 A CB -0.492 18.625 19.000 0.195 0.000 0.819 299 A HN 0.180 nan 8.150 nan 0.000 0.442 300 S N 0.212 115.823 115.700 -0.148 0.000 2.356 300 S HA -0.081 4.389 4.470 0.000 0.000 0.223 300 S C 2.325 176.881 174.600 -0.073 0.000 1.032 300 S CA 1.287 59.369 58.200 -0.196 0.000 1.005 300 S CB -0.565 62.380 63.200 -0.424 0.000 0.867 300 S HN 0.810 nan 8.310 nan 0.000 0.449 301 A N 1.506 124.300 122.820 -0.043 0.000 1.933 301 A HA 0.101 4.421 4.320 0.000 0.000 0.218 301 A C 2.325 179.954 177.584 0.076 0.000 1.175 301 A CA 1.728 53.803 52.037 0.063 0.000 0.628 301 A CB -0.986 18.067 19.000 0.089 0.000 0.814 301 A HN 0.530 nan 8.150 nan 0.000 0.444 302 A N -1.260 121.590 122.820 0.051 0.000 1.968 302 A HA -0.067 4.253 4.320 0.000 0.000 0.217 302 A C 2.236 179.803 177.584 -0.029 0.000 1.169 302 A CA 1.387 53.307 52.037 -0.196 0.000 0.638 302 A CB -1.135 17.399 19.000 -0.778 0.000 0.812 302 A HN 0.584 nan 8.150 nan 0.000 0.446 303 C N -0.627 118.778 119.300 0.176 0.000 2.413 303 C HA -0.122 4.338 4.460 0.000 0.000 0.276 303 C C 2.868 177.870 174.990 0.020 0.000 1.236 303 C CA 1.206 60.357 59.018 0.222 0.000 1.735 303 C CB -1.300 26.537 27.740 0.161 0.000 2.031 303 C HN 0.616 nan 8.230 nan 0.000 0.474 304 R N 1.072 121.505 120.500 -0.113 0.000 2.073 304 R HA -0.113 4.227 4.340 0.000 0.000 0.234 304 R C 2.433 178.454 176.300 -0.465 0.000 1.134 304 R CA 1.638 57.564 56.100 -0.290 0.000 0.952 304 R CB -0.599 29.470 30.300 -0.386 0.000 0.850 304 R HN 0.557 nan 8.270 nan 0.000 0.433 305 A N 1.422 123.928 122.820 -0.524 0.000 1.883 305 A HA -0.138 4.182 4.320 0.000 0.000 0.217 305 A C 2.294 179.818 177.584 -0.100 0.000 1.186 305 A CA 1.856 53.724 52.037 -0.282 0.000 0.624 305 A CB -0.619 18.286 19.000 -0.158 0.000 0.822 305 A HN 0.414 nan 8.150 nan 0.000 0.444 306 A N -1.595 121.198 122.820 -0.046 0.000 2.206 306 A HA 0.222 4.542 4.320 0.000 0.000 0.211 306 A C 1.052 178.643 177.584 0.012 0.000 1.158 306 A CA 0.981 53.028 52.037 0.017 0.000 0.761 306 A CB -0.445 18.621 19.000 0.111 0.000 0.801 306 A HN 0.533 nan 8.150 nan 0.000 0.473 307 K N -1.639 118.755 120.400 -0.010 0.000 3.129 307 K HA -0.156 4.164 4.320 0.000 0.000 0.273 307 K C -0.930 175.678 176.600 0.013 0.000 1.123 307 K CA 0.230 56.516 56.287 -0.002 0.000 0.800 307 K CB -1.865 30.639 32.500 0.006 0.000 1.238 307 K HN 0.330 nan 8.250 nan 0.000 0.492 308 L N 1.154 122.395 121.223 0.031 0.000 2.456 308 L HA 0.073 4.414 4.340 0.000 0.000 0.272 308 L C 0.721 177.603 176.870 0.021 0.000 1.189 308 L CA 0.748 55.611 54.840 0.038 0.000 0.846 308 L CB 0.588 42.693 42.059 0.076 0.000 1.111 308 L HN 0.131 nan 8.230 nan 0.000 0.475 309 Q N 1.754 121.560 119.800 0.010 0.000 2.257 309 Q HA 0.264 4.604 4.340 0.000 0.000 0.255 309 Q C -0.289 175.702 176.000 -0.015 0.000 0.920 309 Q CA -0.201 55.601 55.803 -0.003 0.000 0.927 309 Q CB 0.743 29.475 28.738 -0.009 0.000 1.229 309 Q HN 0.503 nan 8.270 nan 0.000 0.433 310 D N 1.620 122.012 120.400 -0.014 0.000 2.697 310 D HA -0.187 4.454 4.640 0.000 0.000 0.235 310 D C -1.167 175.115 176.300 -0.031 0.000 1.167 310 D CA 0.748 54.733 54.000 -0.024 0.000 0.656 310 D CB -1.036 39.740 40.800 -0.041 0.000 1.025 310 D HN 0.576 nan 8.370 nan 0.000 0.419 311 C N -0.456 118.835 119.300 -0.014 0.000 2.388 311 C HA 0.820 5.280 4.460 0.000 0.000 0.362 311 C C 0.689 175.672 174.990 -0.011 0.000 1.266 311 C CA -0.741 58.265 59.018 -0.020 0.000 2.028 311 C CB 1.203 28.941 27.740 -0.003 0.000 2.440 311 C HN 0.419 nan 8.230 nan 0.000 0.547 312 T N 5.054 119.593 114.554 -0.025 0.000 2.786 312 T HA 0.508 4.858 4.350 0.000 0.000 0.283 312 T C -0.139 174.576 174.700 0.026 0.000 0.992 312 T CA -0.167 61.947 62.100 0.024 0.000 0.954 312 T CB 0.901 69.757 68.868 -0.020 0.000 0.934 312 T HN 0.691 nan 8.240 nan 0.000 0.440 313 M N 3.287 122.942 119.600 0.092 0.000 2.423 313 M HA 0.585 5.065 4.480 0.000 0.000 0.335 313 M C -1.108 175.301 176.300 0.181 0.000 1.177 313 M CA -1.060 54.288 55.300 0.081 0.000 1.038 313 M CB 1.710 34.354 32.600 0.074 0.000 1.641 313 M HN 0.308 nan 8.290 nan 0.000 0.455 314 L N 3.309 124.601 121.223 0.115 0.000 2.404 314 L HA 0.617 4.957 4.340 0.000 0.000 0.272 314 L C -1.454 175.414 176.870 -0.005 0.000 0.980 314 L CA -0.466 54.430 54.840 0.093 0.000 0.836 314 L CB 1.785 43.932 42.059 0.147 0.000 1.238 314 L HN 0.473 nan 8.230 nan 0.000 0.408 315 V N 4.404 124.295 119.914 -0.040 0.000 2.444 315 V HA 0.554 4.675 4.120 0.000 0.000 0.294 315 V C -0.715 175.208 176.094 -0.285 0.000 1.022 315 V CA -0.631 61.630 62.300 -0.065 0.000 0.850 315 V CB 1.872 33.757 31.823 0.103 0.000 0.992 315 V HN 0.790 nan 8.190 nan 0.000 0.426 316 N N 3.874 122.339 118.700 -0.392 0.000 2.623 316 N HA 0.609 5.349 4.740 0.000 0.000 0.256 316 N C 0.705 176.035 175.510 -0.299 0.000 1.045 316 N CA 0.422 52.981 53.050 -0.818 0.000 0.863 316 N CB 1.732 39.587 38.487 -1.054 0.000 1.182 316 N HN 0.998 nan 8.380 nan 0.000 0.523 317 G N 2.689 111.512 108.800 0.038 0.000 2.665 317 G HA2 -0.437 3.523 3.960 0.000 0.000 0.326 317 G HA3 -0.437 3.523 3.960 0.000 0.000 0.326 317 G C 0.619 175.397 174.900 -0.203 0.000 1.231 317 G CA 1.030 46.163 45.100 0.055 0.000 0.992 317 G HN 0.647 nan 8.290 nan 0.000 0.549 318 D N 1.071 121.259 120.400 -0.352 0.000 2.339 318 D HA 0.153 4.793 4.640 0.000 0.000 0.217 318 D C 0.486 176.667 176.300 -0.198 0.000 1.050 318 D CA 0.802 54.444 54.000 -0.598 0.000 0.856 318 D CB -0.042 40.227 40.800 -0.886 0.000 0.922 318 D HN 0.403 nan 8.370 nan 0.000 0.518 319 D N 0.623 120.950 120.400 -0.122 0.000 2.295 319 D HA 0.292 4.932 4.640 0.000 0.000 0.248 319 D C -1.006 175.265 176.300 -0.047 0.000 1.154 319 D CA -0.508 53.456 54.000 -0.060 0.000 0.857 319 D CB 1.010 41.764 40.800 -0.076 0.000 1.117 319 D HN 0.064 nan 8.370 nan 0.000 0.468 320 L N 5.218 126.455 121.223 0.023 0.000 2.409 320 L HA 0.497 4.837 4.340 0.000 0.000 0.272 320 L C -1.769 175.092 176.870 -0.015 0.000 0.980 320 L CA -0.708 54.155 54.840 0.038 0.000 0.826 320 L CB 1.885 44.040 42.059 0.160 0.000 1.268 320 L HN 0.154 nan 8.230 nan 0.000 0.407 321 V N 5.907 125.769 119.914 -0.088 0.000 2.735 321 V HA 0.788 4.908 4.120 0.000 0.000 0.310 321 V C -1.306 174.608 176.094 -0.301 0.000 1.061 321 V CA -0.388 61.794 62.300 -0.196 0.000 0.913 321 V CB 2.425 34.177 31.823 -0.118 0.000 1.005 321 V HN 0.582 nan 8.190 nan 0.000 0.428 322 V N 7.521 127.055 119.914 -0.633 0.000 2.540 322 V HA 0.585 4.705 4.120 0.000 0.000 0.302 322 V C -0.350 175.495 176.094 -0.415 0.000 1.035 322 V CA -0.474 61.459 62.300 -0.612 0.000 0.873 322 V CB 1.733 32.944 31.823 -1.021 0.000 0.992 322 V HN 0.734 nan 8.190 nan 0.000 0.428 323 I N 5.005 125.465 120.570 -0.183 0.000 2.406 323 I HA 0.695 4.866 4.170 0.000 0.000 0.290 323 I C 0.008 176.061 176.117 -0.106 0.000 0.999 323 I CA -0.295 60.951 61.300 -0.089 0.000 1.124 323 I CB 1.599 39.598 38.000 -0.002 0.000 1.289 323 I HN 0.889 nan 8.210 nan 0.000 0.441 324 C N 2.550 121.789 119.300 -0.101 0.000 3.336 324 C HA 0.594 5.054 4.460 0.000 0.000 0.352 324 C C -0.549 174.372 174.990 -0.115 0.000 1.567 324 C CA -0.897 58.073 59.018 -0.080 0.000 1.328 324 C CB 1.807 29.541 27.740 -0.009 0.000 1.922 324 C HN 0.623 nan 8.230 nan 0.000 0.439 325 E N 1.610 121.761 120.200 -0.081 0.000 2.313 325 E HA 0.337 4.687 4.350 0.000 0.000 0.276 325 E C -0.098 176.481 176.600 -0.034 0.000 1.031 325 E CA 0.429 56.779 56.400 -0.082 0.000 0.857 325 E CB 1.712 31.374 29.700 -0.062 0.000 1.040 325 E HN 0.724 nan 8.360 nan 0.000 0.408 326 S N 1.310 116.998 115.700 -0.019 0.000 2.545 326 S HA 0.373 4.844 4.470 0.000 0.000 0.275 326 S C 0.278 174.890 174.600 0.020 0.000 1.299 326 S CA -0.187 58.044 58.200 0.051 0.000 1.048 326 S CB 0.723 64.002 63.200 0.132 0.000 0.938 326 S HN 0.496 nan 8.310 nan 0.000 0.496 327 A N 3.619 126.457 122.820 0.030 0.000 2.545 327 A HA 0.652 4.972 4.320 0.000 0.000 0.277 327 A C 0.968 178.552 177.584 0.001 0.000 1.301 327 A CA 0.112 52.154 52.037 0.008 0.000 0.935 327 A CB -1.121 17.884 19.000 0.008 0.000 1.093 327 A HN 1.929 nan 8.150 nan 0.000 0.519 328 G N -1.045 107.752 108.800 -0.005 0.000 2.690 328 G HA2 -0.046 3.914 3.960 0.000 0.000 0.686 328 G HA3 -0.046 3.914 3.960 0.000 0.000 0.686 328 G C 0.662 175.556 174.900 -0.009 0.000 1.277 328 G CA 0.145 45.218 45.100 -0.044 0.000 0.799 328 G HN 1.198 nan 8.290 nan 0.000 0.613 329 T N -1.710 112.805 114.554 -0.065 0.000 2.665 329 T HA -0.208 4.143 4.350 0.000 0.000 0.268 329 T C 2.032 176.766 174.700 0.056 0.000 1.035 329 T CA 2.304 64.418 62.100 0.023 0.000 1.151 329 T CB -0.229 68.618 68.868 -0.037 0.000 0.862 329 T HN 0.620 nan 8.240 nan 0.000 0.438 330 Q N 0.626 120.436 119.800 0.017 0.000 2.123 330 Q HA 0.062 4.402 4.340 0.000 0.000 0.199 330 Q C 2.330 178.338 176.000 0.013 0.000 0.966 330 Q CA 1.447 57.258 55.803 0.014 0.000 0.845 330 Q CB -0.373 28.366 28.738 0.002 0.000 0.907 330 Q HN 0.611 nan 8.270 nan 0.000 0.439 331 E N 1.229 121.437 120.200 0.013 0.000 2.072 331 E HA -0.121 4.229 4.350 0.000 0.000 0.190 331 E C 1.291 177.898 176.600 0.012 0.000 0.982 331 E CA 0.962 57.367 56.400 0.009 0.000 0.803 331 E CB 0.005 29.708 29.700 0.006 0.000 0.755 331 E HN 0.175 nan 8.360 nan 0.000 0.453 332 D N -0.011 120.411 120.400 0.037 0.000 2.149 332 D HA -0.157 4.483 4.640 0.000 0.000 0.198 332 D C 1.694 177.987 176.300 -0.013 0.000 0.990 332 D CA 1.514 55.535 54.000 0.035 0.000 0.839 332 D CB -0.376 40.505 40.800 0.136 0.000 0.948 332 D HN 0.303 nan 8.370 nan 0.000 0.460 333 A N 0.950 123.776 122.820 0.011 0.000 1.898 333 A HA 0.004 4.324 4.320 0.000 0.000 0.216 333 A C 2.322 179.889 177.584 -0.028 0.000 1.181 333 A CA 2.075 54.104 52.037 -0.012 0.000 0.620 333 A CB -0.698 18.310 19.000 0.013 0.000 0.819 333 A HN 0.229 nan 8.150 nan 0.000 0.442 334 A N 0.057 122.867 122.820 -0.016 0.000 1.883 334 A HA -0.109 4.211 4.320 0.000 0.000 0.217 334 A C 2.437 180.006 177.584 -0.026 0.000 1.186 334 A CA 2.242 54.270 52.037 -0.016 0.000 0.624 334 A CB -1.044 17.951 19.000 -0.008 0.000 0.822 334 A HN 0.539 nan 8.150 nan 0.000 0.444 335 S N 0.397 116.077 115.700 -0.033 0.000 2.374 335 S HA -0.153 4.317 4.470 0.000 0.000 0.227 335 S C 1.791 176.352 174.600 -0.066 0.000 1.037 335 S CA 1.605 59.783 58.200 -0.038 0.000 1.024 335 S CB -0.580 62.595 63.200 -0.041 0.000 0.861 335 S HN 0.496 nan 8.310 nan 0.000 0.456 336 L N 0.743 121.875 121.223 -0.152 0.000 2.093 336 L HA -0.042 4.298 4.340 0.000 0.000 0.208 336 L C 2.836 179.679 176.870 -0.045 0.000 1.085 336 L CA 1.085 55.779 54.840 -0.243 0.000 0.755 336 L CB -0.460 41.369 42.059 -0.384 0.000 0.904 336 L HN 0.254 nan 8.230 nan 0.000 0.435 337 R N -0.398 120.086 120.500 -0.028 0.000 2.081 337 R HA -0.124 4.216 4.340 0.000 0.000 0.235 337 R C 2.246 178.550 176.300 0.007 0.000 1.131 337 R CA 1.228 57.330 56.100 0.004 0.000 0.960 337 R CB -0.345 29.951 30.300 -0.006 0.000 0.856 337 R HN 0.192 nan 8.270 nan 0.000 0.436 338 V N 0.555 120.469 119.914 0.001 0.000 2.427 338 V HA -0.232 3.888 4.120 0.000 0.000 0.248 338 V C 1.890 177.972 176.094 -0.021 0.000 1.051 338 V CA 1.584 63.875 62.300 -0.016 0.000 1.048 338 V CB -0.567 31.249 31.823 -0.012 0.000 0.666 338 V HN 0.229 nan 8.190 nan 0.000 0.456 339 F N 1.561 121.435 119.950 -0.126 0.000 2.095 339 F HA -0.243 4.284 4.527 0.000 0.000 0.298 339 F C 2.412 178.116 175.800 -0.161 0.000 1.104 339 F CA 2.364 60.277 58.000 -0.145 0.000 1.232 339 F CB -0.435 38.462 39.000 -0.173 0.000 0.987 339 F HN 0.111 nan 8.300 nan 0.000 0.475 340 T N -0.171 114.428 114.554 0.076 0.000 2.821 340 T HA -0.162 4.188 4.350 0.000 0.000 0.267 340 T C 1.684 176.355 174.700 -0.049 0.000 1.046 340 T CA 1.553 63.705 62.100 0.087 0.000 1.139 340 T CB -0.314 68.692 68.868 0.231 0.000 0.871 340 T HN 0.361 nan 8.240 nan 0.000 0.454 341 E N 1.012 121.167 120.200 -0.077 0.000 2.118 341 E HA -0.119 4.231 4.350 0.000 0.000 0.195 341 E C 2.430 178.888 176.600 -0.238 0.000 0.992 341 E CA 1.123 57.452 56.400 -0.119 0.000 0.804 341 E CB -0.169 29.474 29.700 -0.095 0.000 0.741 341 E HN 0.493 nan 8.360 nan 0.000 0.458 342 A N 0.737 123.346 122.820 -0.352 0.000 1.898 342 A HA -0.110 4.210 4.320 0.000 0.000 0.214 342 A C 2.118 179.232 177.584 -0.783 0.000 1.183 342 A CA 0.887 52.559 52.037 -0.608 0.000 0.622 342 A CB -0.179 18.488 19.000 -0.555 0.000 0.824 342 A HN 0.097 nan 8.150 nan 0.000 0.444 343 M N -0.114 119.155 119.600 -0.552 0.000 2.159 343 M HA -0.108 4.372 4.480 0.000 0.000 0.263 343 M C 2.127 178.350 176.300 -0.129 0.000 1.063 343 M CA 1.885 56.997 55.300 -0.313 0.000 1.110 343 M CB -1.745 30.604 32.600 -0.417 0.000 1.374 343 M HN 0.429 nan 8.290 nan 0.000 0.411 344 T N 0.182 114.658 114.554 -0.130 0.000 2.746 344 T HA -0.102 4.248 4.350 0.000 0.000 0.267 344 T C 1.945 176.587 174.700 -0.096 0.000 1.039 344 T CA 1.117 63.180 62.100 -0.061 0.000 1.142 344 T CB -0.183 68.657 68.868 -0.046 0.000 0.866 344 T HN 0.395 nan 8.240 nan 0.000 0.444 345 R N -0.013 120.367 120.500 -0.202 0.000 2.148 345 R HA -0.028 4.312 4.340 0.000 0.000 0.227 345 R C 1.644 177.892 176.300 -0.086 0.000 1.103 345 R CA 0.985 56.975 56.100 -0.183 0.000 0.983 345 R CB -0.230 29.909 30.300 -0.269 0.000 0.874 345 R HN 0.427 nan 8.270 nan 0.000 0.451 346 Y N 0.441 120.678 120.300 -0.105 0.000 2.529 346 Y HA 0.001 4.551 4.550 0.000 0.000 0.290 346 Y C 1.219 177.063 175.900 -0.093 0.000 1.177 346 Y CA 0.115 58.139 58.100 -0.126 0.000 1.305 346 Y CB -0.236 38.173 38.460 -0.085 0.000 1.047 346 Y HN 0.186 nan 8.280 nan 0.000 0.522 347 S N -2.097 113.640 115.700 0.062 0.000 2.872 347 S HA -0.164 4.306 4.470 0.000 0.000 0.270 347 S C 0.247 174.874 174.600 0.044 0.000 1.345 347 S CA 0.375 58.597 58.200 0.037 0.000 1.080 347 S CB -1.960 61.251 63.200 0.017 0.000 1.328 347 S HN 0.700 nan 8.310 nan 0.000 0.692 348 A N 1.920 124.785 122.820 0.075 0.000 3.158 348 A HA 0.702 5.022 4.320 0.000 0.000 0.319 348 A C -1.755 175.962 177.584 0.221 0.000 1.204 348 A CA -1.263 50.853 52.037 0.131 0.000 0.992 348 A CB 0.438 19.556 19.000 0.196 0.000 1.110 348 A HN 0.519 nan 8.150 nan 0.000 0.519 349 P HA 0.336 nan 4.420 nan 0.000 0.276 349 P C -2.994 174.362 177.300 0.094 0.000 1.252 349 P CA -1.575 61.596 63.100 0.118 0.000 0.802 349 P CB 0.720 32.420 31.700 -0.001 0.000 1.035 350 P HA 0.127 nan 4.420 nan 0.000 0.281 350 P C 0.616 177.850 177.300 -0.110 0.000 1.249 350 P CA 0.031 63.029 63.100 -0.170 0.000 0.810 350 P CB 0.956 32.577 31.700 -0.132 0.000 1.008 351 G N 2.102 110.826 108.800 -0.127 0.000 2.629 351 G HA2 -0.010 3.950 3.960 0.000 0.000 0.213 351 G HA3 -0.010 3.950 3.960 0.000 0.000 0.213 351 G C -0.114 174.746 174.900 -0.067 0.000 1.425 351 G CA 0.170 45.227 45.100 -0.071 0.000 0.929 351 G HN 0.464 nan 8.290 nan 0.000 0.527 352 D N 2.284 122.646 120.400 -0.064 0.000 2.351 352 D HA 0.295 4.936 4.640 0.000 0.000 0.251 352 D C -2.022 174.246 176.300 -0.055 0.000 1.137 352 D CA -0.884 53.090 54.000 -0.044 0.000 0.879 352 D CB 1.384 42.169 40.800 -0.026 0.000 1.181 352 D HN 0.066 nan 8.370 nan 0.000 0.448 353 P HA 0.140 nan 4.420 nan 0.000 0.271 353 P C -2.406 174.910 177.300 0.027 0.000 1.216 353 P CA -1.038 62.067 63.100 0.009 0.000 0.776 353 P CB -0.174 31.537 31.700 0.018 0.000 0.881 354 P HA 0.090 nan 4.420 nan 0.000 0.269 354 P C -0.717 176.595 177.300 0.019 0.000 1.215 354 P CA 0.151 63.311 63.100 0.101 0.000 0.780 354 P CB 0.489 32.299 31.700 0.183 0.000 0.898 355 Q N 2.118 121.938 119.800 0.033 0.000 2.356 355 Q HA 0.605 4.945 4.340 0.000 0.000 0.270 355 Q C -2.787 173.207 176.000 -0.010 0.000 1.058 355 Q CA -2.319 53.484 55.803 -0.001 0.000 0.802 355 Q CB 2.019 30.765 28.738 0.013 0.000 1.303 355 Q HN 0.232 nan 8.270 nan 0.000 0.444 356 P HA 0.110 nan 4.420 nan 0.000 0.271 356 P C -0.923 176.212 177.300 -0.274 0.000 1.216 356 P CA 0.113 63.117 63.100 -0.159 0.000 0.771 356 P CB 0.897 32.506 31.700 -0.151 0.000 0.864 357 E N 2.092 122.078 120.200 -0.356 0.000 2.238 357 E HA 0.229 4.580 4.350 0.000 0.000 0.267 357 E C -0.579 175.777 176.600 -0.407 0.000 0.887 357 E CA -0.469 55.750 56.400 -0.301 0.000 0.769 357 E CB 1.458 31.109 29.700 -0.081 0.000 1.187 357 E HN 0.435 nan 8.360 nan 0.000 0.416 358 Y N -0.092 120.352 120.300 0.240 0.000 2.612 358 Y HA 0.201 4.751 4.550 0.000 0.000 0.250 358 Y C 0.134 176.273 175.900 0.398 0.000 1.175 358 Y CA -0.485 57.815 58.100 0.333 0.000 1.205 358 Y CB 0.949 39.511 38.460 0.170 0.000 1.201 358 Y HN 0.251 nan 8.280 nan 0.000 0.532 359 D N 0.159 120.703 120.400 0.239 0.000 2.686 359 D HA 0.118 4.758 4.640 0.000 0.000 0.249 359 D C 0.483 176.520 176.300 -0.438 0.000 1.260 359 D CA -0.402 53.590 54.000 -0.014 0.000 0.910 359 D CB 1.660 42.473 40.800 0.021 0.000 1.323 359 D HN 0.077 nan 8.370 nan 0.000 0.561 360 L N 4.114 124.719 121.223 -1.029 0.000 2.127 360 L HA -0.056 4.284 4.340 0.000 0.000 0.211 360 L C 1.592 178.124 176.870 -0.563 0.000 1.089 360 L CA 1.949 56.044 54.840 -1.242 0.000 0.757 360 L CB -0.310 40.821 42.059 -1.547 0.000 0.899 360 L HN 0.544 nan 8.230 nan 0.000 0.434 361 E N -0.783 119.194 120.200 -0.372 0.000 2.338 361 E HA -0.145 4.205 4.350 0.000 0.000 0.197 361 E C 1.886 178.390 176.600 -0.160 0.000 1.007 361 E CA 0.740 57.010 56.400 -0.217 0.000 0.849 361 E CB -0.132 29.485 29.700 -0.139 0.000 0.774 361 E HN 0.543 nan 8.360 nan 0.000 0.506 362 L N 0.863 121.988 121.223 -0.163 0.000 2.592 362 L HA 0.200 4.540 4.340 0.000 0.000 0.227 362 L C 0.705 177.518 176.870 -0.096 0.000 1.127 362 L CA -0.100 54.682 54.840 -0.097 0.000 0.884 362 L CB 0.184 42.208 42.059 -0.058 0.000 1.065 362 L HN 0.020 nan 8.230 nan 0.000 0.457 363 I N -0.044 120.440 120.570 -0.143 0.000 2.365 363 I HA 0.132 4.303 4.170 0.000 0.000 0.291 363 I C 0.045 176.116 176.117 -0.078 0.000 1.004 363 I CA 0.069 61.304 61.300 -0.108 0.000 1.311 363 I CB 1.561 39.473 38.000 -0.146 0.000 1.401 363 I HN -0.102 nan 8.210 nan 0.000 0.491 364 T N 4.857 119.387 114.554 -0.040 0.000 2.758 364 T HA 0.493 4.843 4.350 0.000 0.000 0.285 364 T C -0.313 174.382 174.700 -0.009 0.000 0.981 364 T CA -0.616 61.474 62.100 -0.016 0.000 0.965 364 T CB 1.020 69.888 68.868 -0.001 0.000 0.927 364 T HN 0.751 nan 8.240 nan 0.000 0.448 365 S N 0.774 116.471 115.700 -0.004 0.000 2.541 365 S HA 0.400 4.870 4.470 0.000 0.000 0.271 365 S C 0.125 174.731 174.600 0.011 0.000 1.133 365 S CA -0.809 57.385 58.200 -0.009 0.000 0.876 365 S CB 0.645 63.824 63.200 -0.036 0.000 1.105 365 S HN 0.882 nan 8.310 nan 0.000 0.470 366 C N 2.073 121.374 119.300 0.003 0.000 4.165 366 C HA -0.166 4.294 4.460 0.000 0.000 0.299 366 C C 1.433 176.490 174.990 0.111 0.000 1.445 366 C CA 0.911 59.951 59.018 0.037 0.000 2.029 366 C CB -3.251 24.496 27.740 0.011 0.000 1.288 366 C HN 1.707 nan 8.230 nan 0.000 0.752 367 S N -1.818 113.939 115.700 0.096 0.000 3.382 367 S HA -0.190 4.280 4.470 0.000 0.000 0.293 367 S C 0.247 174.930 174.600 0.139 0.000 1.262 367 S CA 1.266 59.534 58.200 0.114 0.000 0.969 367 S CB -0.866 62.422 63.200 0.147 0.000 1.136 367 S HN 1.014 nan 8.310 nan 0.000 0.635 368 S N 1.861 117.641 115.700 0.134 0.000 2.599 368 S HA 0.716 5.186 4.470 0.000 0.000 0.287 368 S C -0.414 174.226 174.600 0.067 0.000 1.105 368 S CA -0.988 57.312 58.200 0.166 0.000 0.899 368 S CB 1.707 65.062 63.200 0.259 0.000 1.100 368 S HN 0.552 nan 8.310 nan 0.000 0.482 369 N N -0.246 118.480 118.700 0.044 0.000 2.265 369 N HA 0.459 5.199 4.740 0.000 0.000 0.300 369 N C -1.038 174.426 175.510 -0.076 0.000 1.148 369 N CA -0.606 52.423 53.050 -0.035 0.000 0.772 369 N CB 1.062 39.517 38.487 -0.052 0.000 1.434 369 N HN 0.314 nan 8.380 nan 0.000 0.481 370 V N 0.608 120.440 119.914 -0.137 0.000 2.740 370 V HA 0.263 4.383 4.120 0.000 0.000 0.303 370 V C 0.679 176.637 176.094 -0.226 0.000 1.054 370 V CA 0.221 62.411 62.300 -0.183 0.000 1.106 370 V CB 0.699 32.404 31.823 -0.198 0.000 0.957 370 V HN 0.879 nan 8.190 nan 0.000 0.486 371 S N 2.874 118.340 115.700 -0.390 0.000 2.720 371 S HA 0.762 5.232 4.470 0.000 0.000 0.287 371 S C -1.358 173.009 174.600 -0.389 0.000 1.168 371 S CA -0.475 57.497 58.200 -0.380 0.000 0.832 371 S CB 2.059 65.014 63.200 -0.408 0.000 1.166 371 S HN 0.686 nan 8.310 nan 0.000 0.493 372 V N 1.476 121.281 119.914 -0.182 0.000 2.588 372 V HA 0.939 5.059 4.120 0.000 0.000 0.304 372 V C -0.103 175.955 176.094 -0.059 0.000 1.042 372 V CA 0.290 62.475 62.300 -0.191 0.000 0.877 372 V CB 0.890 32.514 31.823 -0.332 0.000 0.996 372 V HN 1.241 nan 8.190 nan 0.000 0.425 373 A N 5.488 128.203 122.820 -0.175 0.000 2.726 373 A HA 0.898 5.218 4.320 0.000 0.000 0.248 373 A C -0.955 176.197 177.584 -0.720 0.000 1.249 373 A CA -0.579 51.192 52.037 -0.443 0.000 0.846 373 A CB 1.607 20.127 19.000 -0.801 0.000 1.391 373 A HN 0.911 nan 8.150 nan 0.000 0.497 374 H N 0.136 118.881 119.070 -0.543 0.000 2.717 374 H HA 0.327 4.883 4.556 0.000 0.000 0.366 374 H C -1.099 173.936 175.328 -0.487 0.000 1.132 374 H CA -0.478 55.266 56.048 -0.507 0.000 1.180 374 H CB 1.868 31.279 29.762 -0.585 0.000 1.678 374 H HN 0.911 nan 8.280 nan 0.000 0.537 375 D N 0.832 121.160 120.400 -0.120 0.000 2.440 375 D HA 0.130 4.770 4.640 0.000 0.000 0.269 375 D C 1.258 177.663 176.300 0.174 0.000 1.249 375 D CA -0.304 53.697 54.000 0.002 0.000 1.055 375 D CB 0.371 41.169 40.800 -0.004 0.000 1.104 375 D HN 0.461 nan 8.370 nan 0.000 0.561 376 A N -0.400 122.515 122.820 0.159 0.000 2.024 376 A HA -0.120 4.200 4.320 0.000 0.000 0.220 376 A C 1.966 179.629 177.584 0.131 0.000 1.164 376 A CA 1.829 53.956 52.037 0.149 0.000 0.643 376 A CB -0.706 18.340 19.000 0.076 0.000 0.806 376 A HN 0.490 nan 8.150 nan 0.000 0.451 377 S N -1.790 113.973 115.700 0.105 0.000 2.575 377 S HA 0.398 4.868 4.470 0.000 0.000 0.215 377 S C 1.379 176.028 174.600 0.081 0.000 0.966 377 S CA 0.661 58.905 58.200 0.073 0.000 0.911 377 S CB 0.247 63.476 63.200 0.049 0.000 0.780 377 S HN 1.636 nan 8.310 nan 0.000 0.514 378 G N 2.066 110.940 108.800 0.124 0.000 2.176 378 G HA2 -0.310 3.650 3.960 0.000 0.000 0.253 378 G HA3 -0.310 3.650 3.960 0.000 0.000 0.253 378 G C 0.074 175.066 174.900 0.154 0.000 0.979 378 G CA 0.227 45.381 45.100 0.089 0.000 0.641 378 G HN 0.534 nan 8.290 nan 0.000 0.530 379 K N 1.085 121.543 120.400 0.097 0.000 2.368 379 K HA 0.394 4.714 4.320 0.000 0.000 0.282 379 K C 0.907 177.483 176.600 -0.041 0.000 1.035 379 K CA -0.619 55.697 56.287 0.050 0.000 0.973 379 K CB 0.246 32.751 32.500 0.009 0.000 0.957 379 K HN 0.306 nan 8.250 nan 0.000 0.474 380 R N 2.148 122.561 120.500 -0.146 0.000 2.538 380 R HA 0.032 4.372 4.340 0.000 0.000 0.282 380 R C -0.514 175.544 176.300 -0.403 0.000 1.009 380 R CA -0.000 55.810 56.100 -0.483 0.000 1.063 380 R CB 0.773 30.810 30.300 -0.437 0.000 0.945 380 R HN 0.378 nan 8.270 nan 0.000 0.414 381 V N 5.527 125.161 119.914 -0.467 0.000 2.577 381 V HA 0.352 4.472 4.120 0.000 0.000 0.303 381 V C -1.304 174.618 176.094 -0.286 0.000 1.042 381 V CA -0.794 61.335 62.300 -0.285 0.000 0.872 381 V CB 1.275 33.009 31.823 -0.149 0.000 0.998 381 V HN 0.598 nan 8.190 nan 0.000 0.423 382 Y N 7.404 127.687 120.300 -0.029 0.000 2.309 382 Y HA 0.639 5.190 4.550 0.000 0.000 0.327 382 Y C 0.112 176.055 175.900 0.071 0.000 1.172 382 Y CA 0.329 58.407 58.100 -0.036 0.000 1.280 382 Y CB 1.053 39.460 38.460 -0.088 0.000 1.234 382 Y HN 0.824 nan 8.280 nan 0.000 0.512 383 Y N -0.804 119.553 120.300 0.094 0.000 2.670 383 Y HA 0.712 5.262 4.550 0.000 0.000 0.334 383 Y C -2.197 173.760 175.900 0.095 0.000 1.185 383 Y CA -2.036 56.105 58.100 0.069 0.000 1.053 383 Y CB 0.802 39.274 38.460 0.020 0.000 1.298 383 Y HN 0.389 nan 8.280 nan 0.000 0.459 384 L N 2.487 123.811 121.223 0.168 0.000 2.295 384 L HA 0.689 5.029 4.340 0.000 0.000 0.285 384 L C 0.154 177.266 176.870 0.403 0.000 1.035 384 L CA -0.394 54.538 54.840 0.153 0.000 0.806 384 L CB 1.756 43.912 42.059 0.161 0.000 1.214 384 L HN 0.966 nan 8.230 nan 0.000 0.426 385 T N 2.943 117.674 114.554 0.295 0.000 2.831 385 T HA 0.828 5.179 4.350 0.000 0.000 0.287 385 T C -1.082 173.775 174.700 0.262 0.000 1.070 385 T CA -0.632 61.712 62.100 0.406 0.000 1.010 385 T CB 1.699 70.796 68.868 0.381 0.000 1.264 385 T HN 0.794 nan 8.240 nan 0.000 0.532 386 R N 0.450 121.043 120.500 0.156 0.000 2.733 386 R HA 0.454 4.795 4.340 0.000 0.000 0.272 386 R C -1.463 174.695 176.300 -0.237 0.000 1.029 386 R CA -1.016 55.054 56.100 -0.050 0.000 0.888 386 R CB 0.380 30.609 30.300 -0.118 0.000 1.251 386 R HN 0.525 nan 8.270 nan 0.000 0.464 387 D N 1.817 122.074 120.400 -0.239 0.000 2.450 387 D HA 0.045 4.685 4.640 0.000 0.000 0.247 387 D C -1.404 174.544 176.300 -0.587 0.000 1.162 387 D CA -1.165 52.638 54.000 -0.329 0.000 0.879 387 D CB 1.230 41.917 40.800 -0.189 0.000 1.163 387 D HN 0.331 nan 8.370 nan 0.000 0.472 388 P HA 0.031 nan 4.420 nan 0.000 0.253 388 P C 1.097 178.083 177.300 -0.523 0.000 1.260 388 P CA 0.048 62.495 63.100 -1.088 0.000 0.800 388 P CB 0.284 31.160 31.700 -1.373 0.000 1.162 389 T N -0.182 114.178 114.554 -0.324 0.000 2.635 389 T HA -0.149 4.201 4.350 0.000 0.000 0.267 389 T C 1.715 176.340 174.700 -0.124 0.000 1.040 389 T CA 2.457 64.457 62.100 -0.166 0.000 1.156 389 T CB -1.128 67.686 68.868 -0.091 0.000 0.863 389 T HN 0.212 nan 8.240 nan 0.000 0.430 390 T N 2.136 116.617 114.554 -0.121 0.000 2.737 390 T HA -0.039 4.311 4.350 0.000 0.000 0.265 390 T C -0.527 174.121 174.700 -0.087 0.000 1.038 390 T CA 1.113 63.167 62.100 -0.077 0.000 1.144 390 T CB -1.283 67.567 68.868 -0.030 0.000 0.866 390 T HN 0.329 nan 8.240 nan 0.000 0.434 391 P HA -0.040 nan 4.420 nan 0.000 0.216 391 P C 1.470 178.790 177.300 0.035 0.000 1.153 391 P CA 1.004 64.086 63.100 -0.029 0.000 0.858 391 P CB -0.177 31.456 31.700 -0.113 0.000 0.789 392 L N -1.677 119.520 121.223 -0.044 0.000 2.131 392 L HA -0.060 4.280 4.340 0.000 0.000 0.206 392 L C 2.452 179.349 176.870 0.046 0.000 1.087 392 L CA 1.202 56.045 54.840 0.004 0.000 0.767 392 L CB -1.033 40.987 42.059 -0.065 0.000 0.917 392 L HN -0.056 nan 8.230 nan 0.000 0.441 393 A N 0.437 123.273 122.820 0.027 0.000 1.902 393 A HA -0.209 4.111 4.320 0.000 0.000 0.217 393 A C 2.363 180.011 177.584 0.106 0.000 1.181 393 A CA 1.484 53.560 52.037 0.065 0.000 0.623 393 A CB -0.423 18.591 19.000 0.024 0.000 0.818 393 A HN 0.322 nan 8.150 nan 0.000 0.443 394 R N -0.555 119.982 120.500 0.061 0.000 2.092 394 R HA -0.009 4.332 4.340 0.000 0.000 0.231 394 R C 2.487 178.942 176.300 0.259 0.000 1.119 394 R CA 1.057 57.217 56.100 0.100 0.000 0.970 394 R CB -0.476 29.828 30.300 0.006 0.000 0.864 394 R HN 0.501 nan 8.270 nan 0.000 0.440 395 A N 1.573 124.566 122.820 0.288 0.000 1.908 395 A HA -0.178 4.142 4.320 0.000 0.000 0.218 395 A C 2.412 180.217 177.584 0.367 0.000 1.181 395 A CA 1.831 54.146 52.037 0.464 0.000 0.627 395 A CB -0.736 18.529 19.000 0.442 0.000 0.818 395 A HN 0.401 nan 8.150 nan 0.000 0.445 396 A N -1.517 121.436 122.820 0.222 0.000 1.908 396 A HA -0.214 4.106 4.320 0.000 0.000 0.218 396 A C 2.111 179.811 177.584 0.193 0.000 1.181 396 A CA 1.484 53.618 52.037 0.161 0.000 0.627 396 A CB -0.847 18.236 19.000 0.139 0.000 0.818 396 A HN 0.848 nan 8.150 nan 0.000 0.445 397 W N 0.870 122.216 121.300 0.077 0.000 2.381 397 W HA -0.103 4.557 4.660 0.000 0.000 0.301 397 W C 1.556 178.120 176.519 0.076 0.000 1.205 397 W CA 1.774 59.150 57.345 0.051 0.000 1.285 397 W CB -0.204 29.270 29.460 0.024 0.000 1.133 397 W HN 0.551 nan 8.180 nan 0.000 0.521 398 E N -0.806 119.654 120.200 0.434 0.000 2.427 398 E HA -0.096 4.254 4.350 0.000 0.000 0.196 398 E C 1.879 178.657 176.600 0.297 0.000 1.028 398 E CA 1.140 57.773 56.400 0.388 0.000 0.864 398 E CB -0.077 29.917 29.700 0.491 0.000 0.813 398 E HN 0.048 nan 8.360 nan 0.000 0.514 399 T N 0.363 115.064 114.554 0.245 0.000 2.867 399 T HA -0.062 4.288 4.350 0.000 0.000 0.268 399 T C 1.748 176.426 174.700 -0.037 0.000 1.057 399 T CA 1.209 63.374 62.100 0.108 0.000 1.136 399 T CB 0.088 69.040 68.868 0.139 0.000 0.874 399 T HN 0.219 nan 8.240 nan 0.000 0.466 400 A N 0.175 122.936 122.820 -0.098 0.000 2.288 400 A HA 0.353 4.673 4.320 0.000 0.000 0.216 400 A C 0.834 178.277 177.584 -0.235 0.000 1.199 400 A CA -0.099 51.824 52.037 -0.190 0.000 0.891 400 A CB 0.525 19.373 19.000 -0.252 0.000 0.923 400 A HN 0.093 nan 8.150 nan 0.000 0.500 401 R N 0.330 120.709 120.500 -0.202 0.000 2.564 401 R HA 0.317 4.657 4.340 0.000 0.000 0.284 401 R C -1.785 174.471 176.300 -0.074 0.000 1.031 401 R CA -0.487 55.533 56.100 -0.132 0.000 0.904 401 R CB 0.857 31.150 30.300 -0.012 0.000 1.199 401 R HN 0.474 nan 8.270 nan 0.000 0.443 402 H N 0.989 120.137 119.070 0.130 0.000 2.878 402 H HA 0.150 4.706 4.556 0.000 0.000 0.290 402 H C 0.632 176.034 175.328 0.122 0.000 1.065 402 H CA 0.425 56.551 56.048 0.131 0.000 1.477 402 H CB 0.719 30.532 29.762 0.083 0.000 1.484 402 H HN 0.497 nan 8.280 nan 0.000 0.504 403 T N 0.792 115.479 114.554 0.221 0.000 2.945 403 T HA 0.204 4.554 4.350 0.000 0.000 0.286 403 T C -1.374 173.361 174.700 0.059 0.000 1.025 403 T CA -2.116 60.066 62.100 0.136 0.000 1.039 403 T CB 1.737 70.679 68.868 0.123 0.000 1.068 403 T HN 0.321 nan 8.240 nan 0.000 0.497 404 P HA 0.036 nan 4.420 nan 0.000 0.218 404 P C 0.186 177.465 177.300 -0.035 0.000 1.148 404 P CA 0.438 63.509 63.100 -0.047 0.000 0.822 404 P CB 0.078 31.745 31.700 -0.055 0.000 0.784 405 V N 2.094 121.989 119.914 -0.031 0.000 2.409 405 V HA 0.203 4.323 4.120 0.000 0.000 0.291 405 V C -0.001 176.057 176.094 -0.060 0.000 1.020 405 V CA -0.744 61.525 62.300 -0.050 0.000 0.848 405 V CB 1.320 33.111 31.823 -0.053 0.000 0.990 405 V HN 0.023 nan 8.190 nan 0.000 0.430 406 N N 3.523 122.143 118.700 -0.133 0.000 2.555 406 N HA 0.037 4.777 4.740 0.000 0.000 0.244 406 N C 1.345 176.626 175.510 -0.382 0.000 1.114 406 N CA 0.201 53.089 53.050 -0.270 0.000 0.963 406 N CB 1.436 39.628 38.487 -0.492 0.000 1.276 406 N HN 0.812 nan 8.380 nan 0.000 0.510 407 S N 1.726 117.333 115.700 -0.154 0.000 2.447 407 S HA -0.089 4.382 4.470 0.000 0.000 0.233 407 S C 1.803 176.374 174.600 -0.048 0.000 1.006 407 S CA -0.018 58.136 58.200 -0.077 0.000 0.957 407 S CB -0.326 62.877 63.200 0.004 0.000 0.773 407 S HN 0.774 nan 8.310 nan 0.000 0.507 408 W N 1.014 122.250 121.300 -0.106 0.000 2.388 408 W HA 0.031 4.691 4.660 0.000 0.000 0.294 408 W C 1.611 178.068 176.519 -0.102 0.000 1.212 408 W CA 0.262 57.511 57.345 -0.161 0.000 1.271 408 W CB -1.014 28.025 29.460 -0.701 0.000 1.126 408 W HN 0.344 nan 8.180 nan 0.000 0.535 409 L N 2.843 123.465 121.223 -1.002 0.000 2.056 409 L HA 0.128 4.468 4.340 0.000 0.000 0.207 409 L C 2.696 179.398 176.870 -0.280 0.000 1.078 409 L CA 2.725 57.051 54.840 -0.856 0.000 0.749 409 L CB -1.365 39.949 42.059 -1.243 0.000 0.901 409 L HN 0.059 nan 8.230 nan 0.000 0.433 410 G N -0.713 107.956 108.800 -0.218 0.000 2.440 410 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 410 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 410 G C 1.474 176.414 174.900 0.066 0.000 1.154 410 G CA 0.815 45.880 45.100 -0.059 0.000 0.767 410 G HN 0.435 nan 8.290 nan 0.000 0.552 411 N N 0.499 119.295 118.700 0.160 0.000 2.188 411 N HA 0.003 4.743 4.740 0.000 0.000 0.184 411 N C 2.252 177.932 175.510 0.284 0.000 1.018 411 N CA 0.589 53.862 53.050 0.372 0.000 0.858 411 N CB -0.151 38.621 38.487 0.475 0.000 0.989 411 N HN 0.336 nan 8.380 nan 0.000 0.426 412 I N 0.915 121.608 120.570 0.205 0.000 2.226 412 I HA -0.208 3.962 4.170 0.000 0.000 0.245 412 I C 2.017 178.200 176.117 0.109 0.000 1.100 412 I CA 0.809 62.205 61.300 0.161 0.000 1.374 412 I CB -0.106 38.057 38.000 0.271 0.000 1.057 412 I HN 0.037 nan 8.210 nan 0.000 0.413 413 I N -0.093 120.544 120.570 0.112 0.000 2.142 413 I HA -0.298 3.872 4.170 0.000 0.000 0.240 413 I C 2.348 178.577 176.117 0.187 0.000 1.078 413 I CA 1.341 62.722 61.300 0.135 0.000 1.343 413 I CB -0.181 37.892 38.000 0.122 0.000 1.046 413 I HN 0.222 nan 8.210 nan 0.000 0.405 414 M N -1.157 118.492 119.600 0.082 0.000 2.476 414 M HA -0.029 4.451 4.480 0.000 0.000 0.262 414 M C 0.801 176.996 176.300 -0.175 0.000 1.111 414 M CA 1.330 56.601 55.300 -0.048 0.000 1.127 414 M CB -0.359 32.103 32.600 -0.230 0.000 1.376 414 M HN 0.194 nan 8.290 nan 0.000 0.465 415 Y N -0.673 119.648 120.300 0.035 0.000 2.696 415 Y HA 0.462 5.012 4.550 0.000 0.000 0.260 415 Y C 1.839 177.500 175.900 -0.398 0.000 1.165 415 Y CA -0.381 57.626 58.100 -0.155 0.000 1.189 415 Y CB -0.746 37.574 38.460 -0.233 0.000 1.180 415 Y HN 0.151 nan 8.280 nan 0.000 0.538 416 A N 1.030 123.672 122.820 -0.297 0.000 1.958 416 A HA -0.183 4.138 4.320 0.000 0.000 0.221 416 A C -0.472 176.820 177.584 -0.487 0.000 1.178 416 A CA 1.812 53.611 52.037 -0.397 0.000 0.642 416 A CB -1.385 17.370 19.000 -0.409 0.000 0.816 416 A HN 0.267 nan 8.150 nan 0.000 0.453 417 P HA 0.048 nan 4.420 nan 0.000 0.245 417 P C 0.515 177.502 177.300 -0.521 0.000 1.212 417 P CA 1.046 63.839 63.100 -0.512 0.000 0.774 417 P CB -0.352 31.049 31.700 -0.497 0.000 0.999 418 T N -2.727 111.518 114.554 -0.516 0.000 2.899 418 T HA 0.166 4.517 4.350 0.000 0.000 0.295 418 T C 1.104 175.361 174.700 -0.739 0.000 1.033 418 T CA -0.673 61.073 62.100 -0.590 0.000 1.084 418 T CB 0.770 69.099 68.868 -0.899 0.000 0.979 418 T HN -0.153 nan 8.240 nan 0.000 0.532 419 L N 1.885 122.575 121.223 -0.889 0.000 2.017 419 L HA 0.027 4.367 4.340 0.000 0.000 0.208 419 L C 2.420 178.955 176.870 -0.558 0.000 1.073 419 L CA 1.651 55.952 54.840 -0.898 0.000 0.745 419 L CB -0.754 40.714 42.059 -0.985 0.000 0.894 419 L HN 0.916 nan 8.230 nan 0.000 0.432 420 W N -0.760 120.322 121.300 -0.363 0.000 2.418 420 W HA 0.072 4.732 4.660 0.000 0.000 0.292 420 W C 2.008 178.382 176.519 -0.242 0.000 1.213 420 W CA 0.691 57.862 57.345 -0.291 0.000 1.283 420 W CB -1.308 28.015 29.460 -0.228 0.000 1.119 420 W HN 0.311 nan 8.180 nan 0.000 0.542 421 A N 1.940 124.316 122.820 -0.740 0.000 1.898 421 A HA -0.129 4.191 4.320 0.000 0.000 0.216 421 A C 2.255 179.684 177.584 -0.259 0.000 1.181 421 A CA 1.738 53.488 52.037 -0.479 0.000 0.620 421 A CB -0.762 17.808 19.000 -0.718 0.000 0.819 421 A HN 0.297 nan 8.150 nan 0.000 0.442 422 R N -1.084 119.172 120.500 -0.406 0.000 2.062 422 R HA 0.049 4.389 4.340 0.000 0.000 0.229 422 R C 2.250 178.345 176.300 -0.342 0.000 1.128 422 R CA 1.698 57.567 56.100 -0.386 0.000 0.960 422 R CB -0.327 29.590 30.300 -0.639 0.000 0.855 422 R HN 0.503 nan 8.270 nan 0.000 0.432 423 M N -0.341 118.932 119.600 -0.545 0.000 2.287 423 M HA 0.007 4.487 4.480 0.000 0.000 0.266 423 M C 1.907 178.146 176.300 -0.103 0.000 1.079 423 M CA 1.405 56.450 55.300 -0.424 0.000 1.146 423 M CB 0.168 32.458 32.600 -0.517 0.000 1.374 423 M HN 0.118 nan 8.290 nan 0.000 0.435 424 I N -0.719 119.646 120.570 -0.342 0.000 2.962 424 I HA -0.095 4.075 4.170 0.000 0.000 0.246 424 I C 2.072 178.004 176.117 -0.309 0.000 1.091 424 I CA 0.381 61.221 61.300 -0.768 0.000 1.469 424 I CB -0.224 37.268 38.000 -0.846 0.000 1.324 424 I HN 0.125 nan 8.210 nan 0.000 0.461 425 L N 0.276 121.500 121.223 0.002 0.000 2.017 425 L HA -0.187 4.153 4.340 0.000 0.000 0.208 425 L C 2.674 179.825 176.870 0.468 0.000 1.073 425 L CA 1.611 56.637 54.840 0.310 0.000 0.745 425 L CB -0.423 41.885 42.059 0.415 0.000 0.894 425 L HN 0.282 nan 8.230 nan 0.000 0.432 426 M N -0.883 118.964 119.600 0.411 0.000 2.117 426 M HA -0.177 4.303 4.480 0.000 0.000 0.262 426 M C 2.307 179.087 176.300 0.800 0.000 1.065 426 M CA 1.965 57.621 55.300 0.593 0.000 1.114 426 M CB -0.595 32.180 32.600 0.291 0.000 1.361 426 M HN 0.254 nan 8.290 nan 0.000 0.408 427 T N -1.318 113.670 114.554 0.722 0.000 2.674 427 T HA -0.226 4.124 4.350 0.000 0.000 0.265 427 T C 1.658 176.640 174.700 0.470 0.000 1.039 427 T CA 1.898 64.397 62.100 0.665 0.000 1.150 427 T CB -0.558 68.739 68.868 0.715 0.000 0.864 427 T HN 0.447 nan 8.240 nan 0.000 0.427 428 H N 0.379 119.601 119.070 0.254 0.000 2.293 428 H HA -0.024 4.532 4.556 0.000 0.000 0.300 428 H C 1.764 176.960 175.328 -0.218 0.000 1.082 428 H CA 1.648 57.702 56.048 0.010 0.000 1.308 428 H CB -0.481 29.132 29.762 -0.247 0.000 1.375 428 H HN 0.357 nan 8.280 nan 0.000 0.495 429 F N -1.295 118.613 119.950 -0.069 0.000 2.293 429 F HA 0.016 4.543 4.527 0.000 0.000 0.297 429 F C 1.967 177.589 175.800 -0.296 0.000 1.089 429 F CA 0.409 58.128 58.000 -0.467 0.000 1.377 429 F CB -0.482 37.833 39.000 -1.142 0.000 1.051 429 F HN 0.128 nan 8.300 nan 0.000 0.511 430 F N -0.431 119.613 119.950 0.157 0.000 2.171 430 F HA -0.205 4.323 4.527 0.000 0.000 0.300 430 F C 2.752 178.581 175.800 0.047 0.000 1.090 430 F CA 1.543 59.646 58.000 0.172 0.000 1.293 430 F CB -1.006 38.195 39.000 0.334 0.000 1.013 430 F HN -0.107 nan 8.300 nan 0.000 0.486 431 S N 0.389 116.164 115.700 0.124 0.000 2.359 431 S HA -0.198 4.272 4.470 0.000 0.000 0.224 431 S C 2.133 176.692 174.600 -0.068 0.000 1.035 431 S CA 1.548 59.751 58.200 0.004 0.000 1.018 431 S CB -0.475 62.712 63.200 -0.023 0.000 0.876 431 S HN 0.327 nan 8.310 nan 0.000 0.448 432 I N 1.145 121.612 120.570 -0.171 0.000 2.252 432 I HA -0.149 4.021 4.170 0.000 0.000 0.245 432 I C 2.058 178.137 176.117 -0.063 0.000 1.102 432 I CA 0.992 62.194 61.300 -0.163 0.000 1.385 432 I CB -0.269 37.569 38.000 -0.270 0.000 1.064 432 I HN 0.310 nan 8.210 nan 0.000 0.414 433 L N -0.129 121.062 121.223 -0.055 0.000 2.156 433 L HA -0.158 4.182 4.340 0.000 0.000 0.208 433 L C 2.495 179.379 176.870 0.023 0.000 1.095 433 L CA 0.941 55.771 54.840 -0.017 0.000 0.770 433 L CB -0.510 41.499 42.059 -0.083 0.000 0.914 433 L HN 0.256 nan 8.230 nan 0.000 0.439 434 L N 0.198 121.447 121.223 0.044 0.000 1.989 434 L HA -0.232 4.108 4.340 0.000 0.000 0.211 434 L C 2.946 179.831 176.870 0.026 0.000 1.071 434 L CA 1.478 56.351 54.840 0.054 0.000 0.749 434 L CB -0.684 41.411 42.059 0.061 0.000 0.890 434 L HN 0.245 nan 8.230 nan 0.000 0.431 435 A N -0.994 121.830 122.820 0.007 0.000 1.940 435 A HA -0.221 4.099 4.320 0.000 0.000 0.219 435 A C 2.068 179.657 177.584 0.009 0.000 1.176 435 A CA 1.535 53.571 52.037 -0.001 0.000 0.631 435 A CB -0.314 18.675 19.000 -0.019 0.000 0.814 435 A HN 0.466 nan 8.150 nan 0.000 0.446 436 Q N -0.521 119.289 119.800 0.016 0.000 2.319 436 Q HA 0.070 4.410 4.340 0.000 0.000 0.202 436 Q C -0.515 175.503 176.000 0.030 0.000 0.896 436 Q CA 0.332 56.151 55.803 0.026 0.000 0.942 436 Q CB 0.079 28.842 28.738 0.041 0.000 1.083 436 Q HN 0.759 nan 8.270 nan 0.000 0.510 437 E N 0.651 120.870 120.200 0.031 0.000 2.269 437 E HA -0.253 4.097 4.350 0.000 0.000 0.223 437 E C -0.297 176.328 176.600 0.042 0.000 1.244 437 E CA 0.413 56.835 56.400 0.037 0.000 0.713 437 E CB -1.420 28.299 29.700 0.031 0.000 1.178 437 E HN 0.550 nan 8.360 nan 0.000 0.370 438 Q N -0.337 119.491 119.800 0.046 0.000 2.175 438 Q HA 0.231 4.571 4.340 0.000 0.000 0.225 438 Q C 1.903 177.938 176.000 0.058 0.000 0.837 438 Q CA -0.269 55.566 55.803 0.052 0.000 1.032 438 Q CB 0.387 29.161 28.738 0.060 0.000 1.137 438 Q HN 0.382 nan 8.270 nan 0.000 0.483 439 L N 0.515 121.776 121.223 0.062 0.000 2.081 439 L HA -0.210 4.130 4.340 0.000 0.000 0.212 439 L C 1.773 178.696 176.870 0.088 0.000 1.080 439 L CA 1.450 56.338 54.840 0.080 0.000 0.754 439 L CB -0.143 41.994 42.059 0.129 0.000 0.893 439 L HN 0.333 nan 8.230 nan 0.000 0.433 440 E N -0.277 119.969 120.200 0.077 0.000 2.489 440 E HA -0.037 4.313 4.350 0.000 0.000 0.193 440 E C 0.562 177.201 176.600 0.065 0.000 1.057 440 E CA -0.048 56.394 56.400 0.071 0.000 0.866 440 E CB 0.271 30.006 29.700 0.059 0.000 0.916 440 E HN 0.235 nan 8.360 nan 0.000 0.500 441 K N 1.727 122.166 120.400 0.065 0.000 2.276 441 K HA 0.280 4.600 4.320 0.000 0.000 0.285 441 K C -0.602 176.040 176.600 0.070 0.000 1.062 441 K CA -0.259 56.065 56.287 0.061 0.000 0.918 441 K CB 0.866 33.400 32.500 0.056 0.000 1.055 441 K HN -0.105 nan 8.250 nan 0.000 0.477 442 A N 5.800 128.661 122.820 0.067 0.000 2.492 442 A HA 0.264 4.585 4.320 0.000 0.000 0.254 442 A C -0.362 177.264 177.584 0.070 0.000 1.091 442 A CA -0.160 51.920 52.037 0.073 0.000 0.768 442 A CB 0.005 19.054 19.000 0.082 0.000 1.028 442 A HN 0.753 nan 8.150 nan 0.000 0.498 443 L N 2.323 123.578 121.223 0.053 0.000 2.342 443 L HA 0.408 4.748 4.340 0.000 0.000 0.271 443 L C -0.645 176.230 176.870 0.008 0.000 1.008 443 L CA -1.069 53.787 54.840 0.027 0.000 0.818 443 L CB 1.831 43.885 42.059 -0.007 0.000 1.296 443 L HN 0.566 nan 8.230 nan 0.000 0.427 444 D N 1.107 121.514 120.400 0.011 0.000 2.255 444 D HA 0.473 5.113 4.640 0.000 0.000 0.249 444 D C -0.445 175.820 176.300 -0.059 0.000 1.078 444 D CA -0.056 53.957 54.000 0.022 0.000 0.896 444 D CB 1.683 42.518 40.800 0.057 0.000 1.194 444 D HN 0.611 nan 8.370 nan 0.000 0.429 445 C N 0.247 119.520 119.300 -0.045 0.000 3.291 445 C HA 0.657 5.118 4.460 0.000 0.000 0.316 445 C C -1.162 173.817 174.990 -0.018 0.000 1.391 445 C CA -0.850 58.119 59.018 -0.082 0.000 1.394 445 C CB 1.432 29.075 27.740 -0.162 0.000 1.744 445 C HN 0.508 nan 8.230 nan 0.000 0.461 446 Q N 0.874 120.660 119.800 -0.023 0.000 2.327 446 Q HA 0.680 5.020 4.340 0.000 0.000 0.270 446 Q C -1.295 174.719 176.000 0.022 0.000 1.022 446 Q CA -0.178 55.633 55.803 0.014 0.000 0.773 446 Q CB 2.054 30.796 28.738 0.007 0.000 1.251 446 Q HN 0.706 nan 8.270 nan 0.000 0.457 447 I N 2.806 123.401 120.570 0.043 0.000 2.389 447 I HA 0.197 4.367 4.170 0.000 0.000 0.288 447 I C -0.705 175.470 176.117 0.097 0.000 0.999 447 I CA -0.814 60.446 61.300 -0.067 0.000 1.129 447 I CB 0.928 38.677 38.000 -0.419 0.000 1.288 447 I HN 0.632 nan 8.210 nan 0.000 0.444 448 Y N 5.035 125.412 120.300 0.128 0.000 3.721 448 Y HA -0.267 4.283 4.550 0.000 0.000 0.218 448 Y C 1.505 177.371 175.900 -0.056 0.000 1.188 448 Y CA 1.002 59.150 58.100 0.080 0.000 1.607 448 Y CB -2.109 36.421 38.460 0.117 0.000 1.496 448 Y HN 0.983 nan 8.280 nan 0.000 0.626 449 G N -2.262 106.628 108.800 0.150 0.000 2.225 449 G HA2 -0.010 3.950 3.960 0.000 0.000 0.254 449 G HA3 -0.010 3.950 3.960 0.000 0.000 0.254 449 G C 0.490 175.421 174.900 0.051 0.000 0.988 449 G CA 0.209 45.353 45.100 0.073 0.000 0.625 449 G HN 1.520 nan 8.290 nan 0.000 0.527 450 A N -0.565 122.291 122.820 0.061 0.000 2.302 450 A HA 0.636 4.956 4.320 0.000 0.000 0.285 450 A C 0.610 178.034 177.584 -0.266 0.000 1.105 450 A CA 0.419 52.364 52.037 -0.153 0.000 0.816 450 A CB 0.734 19.593 19.000 -0.236 0.000 1.067 450 A HN 1.102 nan 8.150 nan 0.000 0.489 451 C N 1.047 120.107 119.300 -0.399 0.000 2.295 451 C HA 0.618 5.078 4.460 0.000 0.000 0.331 451 C C -0.662 173.994 174.990 -0.557 0.000 1.280 451 C CA -0.430 58.433 59.018 -0.259 0.000 1.746 451 C CB -1.626 26.103 27.740 -0.019 0.000 2.328 451 C HN 0.664 nan 8.230 nan 0.000 0.521 452 Y N 0.977 121.145 120.300 -0.220 0.000 2.393 452 Y HA 0.473 5.023 4.550 0.000 0.000 0.341 452 Y C 0.553 176.375 175.900 -0.129 0.000 0.988 452 Y CA -0.278 57.646 58.100 -0.294 0.000 1.078 452 Y CB 1.620 39.833 38.460 -0.411 0.000 1.203 452 Y HN 0.598 nan 8.280 nan 0.000 0.453 453 S N 4.505 120.215 115.700 0.017 0.000 2.422 453 S HA 0.663 5.133 4.470 0.000 0.000 0.298 453 S C -0.892 173.773 174.600 0.108 0.000 1.118 453 S CA -0.350 57.914 58.200 0.107 0.000 1.083 453 S CB -0.449 62.852 63.200 0.168 0.000 0.971 453 S HN 0.550 nan 8.310 nan 0.000 0.478 454 I N 4.004 124.631 120.570 0.094 0.000 2.498 454 I HA 0.347 4.517 4.170 0.000 0.000 0.290 454 I C -0.206 175.954 176.117 0.073 0.000 1.032 454 I CA -0.676 60.683 61.300 0.097 0.000 1.073 454 I CB 2.218 40.277 38.000 0.098 0.000 1.251 454 I HN 0.556 nan 8.210 nan 0.000 0.426 455 E N 7.128 127.377 120.200 0.082 0.000 2.229 455 E HA 0.162 4.512 4.350 0.000 0.000 0.283 455 E C -1.730 174.934 176.600 0.106 0.000 1.030 455 E CA -1.559 54.892 56.400 0.085 0.000 0.836 455 E CB 1.110 30.858 29.700 0.081 0.000 1.068 455 E HN 0.324 nan 8.360 nan 0.000 0.401 456 P HA -0.216 nan 4.420 nan 0.000 0.217 456 P C 0.936 178.404 177.300 0.280 0.000 1.148 456 P CA 1.205 64.406 63.100 0.167 0.000 0.834 456 P CB 0.191 31.920 31.700 0.048 0.000 0.783 457 L N -1.014 120.341 121.223 0.220 0.000 2.353 457 L HA -0.132 4.208 4.340 0.000 0.000 0.220 457 L C 1.256 178.220 176.870 0.156 0.000 1.133 457 L CA 1.165 56.139 54.840 0.223 0.000 0.798 457 L CB -0.706 41.446 42.059 0.155 0.000 0.922 457 L HN -0.043 nan 8.230 nan 0.000 0.445 458 D N -0.433 120.042 120.400 0.125 0.000 2.340 458 D HA 0.033 4.673 4.640 0.000 0.000 0.220 458 D C 2.166 178.511 176.300 0.076 0.000 1.039 458 D CA 0.265 54.306 54.000 0.069 0.000 0.866 458 D CB 0.315 41.139 40.800 0.041 0.000 0.913 458 D HN 0.267 nan 8.370 nan 0.000 0.523 459 L N 0.898 122.215 121.223 0.156 0.000 2.012 459 L HA -0.133 4.207 4.340 0.000 0.000 0.210 459 L C -0.470 176.490 176.870 0.149 0.000 1.073 459 L CA 1.461 56.407 54.840 0.176 0.000 0.748 459 L CB -1.317 40.925 42.059 0.305 0.000 0.891 459 L HN 0.042 nan 8.230 nan 0.000 0.431 460 P HA -0.215 nan 4.420 nan 0.000 0.215 460 P C 1.347 178.717 177.300 0.117 0.000 1.157 460 P CA 1.402 64.558 63.100 0.094 0.000 0.874 460 P CB 0.034 31.600 31.700 -0.224 0.000 0.790 461 Q N -0.938 118.849 119.800 -0.022 0.000 2.079 461 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 461 Q C 2.214 178.174 176.000 -0.066 0.000 0.974 461 Q CA 1.221 56.990 55.803 -0.058 0.000 0.840 461 Q CB -0.913 27.770 28.738 -0.092 0.000 0.898 461 Q HN 0.253 nan 8.270 nan 0.000 0.430 462 I N 0.163 120.687 120.570 -0.077 0.000 2.163 462 I HA -0.284 3.886 4.170 0.000 0.000 0.243 462 I C 2.048 178.121 176.117 -0.073 0.000 1.085 462 I CA 1.217 62.417 61.300 -0.167 0.000 1.347 462 I CB -0.257 37.653 38.000 -0.150 0.000 1.044 462 I HN 0.207 nan 8.210 nan 0.000 0.408 463 I N 0.355 120.956 120.570 0.052 0.000 2.286 463 I HA -0.299 3.871 4.170 0.000 0.000 0.248 463 I C 2.608 178.726 176.117 0.002 0.000 1.115 463 I CA 1.411 62.764 61.300 0.088 0.000 1.392 463 I CB -0.382 37.668 38.000 0.084 0.000 1.065 463 I HN 0.326 nan 8.210 nan 0.000 0.418 464 E N 1.037 121.263 120.200 0.043 0.000 2.051 464 E HA -0.237 4.113 4.350 0.000 0.000 0.192 464 E C 2.396 178.980 176.600 -0.027 0.000 0.991 464 E CA 1.132 57.550 56.400 0.031 0.000 0.799 464 E CB 0.121 29.882 29.700 0.102 0.000 0.748 464 E HN 0.288 nan 8.360 nan 0.000 0.449 465 R N 0.143 120.605 120.500 -0.062 0.000 2.092 465 R HA -0.070 4.270 4.340 0.000 0.000 0.231 465 R C 2.450 178.686 176.300 -0.107 0.000 1.119 465 R CA 0.793 56.836 56.100 -0.095 0.000 0.970 465 R CB -0.428 29.777 30.300 -0.159 0.000 0.864 465 R HN 0.361 nan 8.270 nan 0.000 0.440 466 L N -0.626 120.510 121.223 -0.145 0.000 2.270 466 L HA -0.036 4.304 4.340 0.000 0.000 0.210 466 L C 1.549 178.139 176.870 -0.466 0.000 1.104 466 L CA 1.033 55.701 54.840 -0.287 0.000 0.804 466 L CB -0.269 41.564 42.059 -0.377 0.000 0.937 466 L HN 0.270 nan 8.230 nan 0.000 0.450 467 H N -1.109 117.896 119.070 -0.109 0.000 3.622 467 H HA 0.286 4.842 4.556 0.000 0.000 0.259 467 H C 0.895 176.146 175.328 -0.129 0.000 1.145 467 H CA 0.700 56.671 56.048 -0.128 0.000 1.178 467 H CB 1.290 30.941 29.762 -0.184 0.000 1.542 467 H HN 0.247 nan 8.280 nan 0.000 0.586 468 G N 1.253 110.047 108.800 -0.011 0.000 2.758 468 G HA2 -0.233 3.727 3.960 0.000 0.000 0.686 468 G HA3 -0.233 3.727 3.960 0.000 0.000 0.686 468 G C 0.687 175.541 174.900 -0.077 0.000 1.389 468 G CA -0.134 44.952 45.100 -0.024 0.000 0.845 468 G HN 0.203 nan 8.290 nan 0.000 0.572 469 L N 1.061 122.297 121.223 0.022 0.000 2.265 469 L HA -0.113 4.227 4.340 0.000 0.000 0.215 469 L C 3.204 180.104 176.870 0.050 0.000 1.117 469 L CA 2.177 57.099 54.840 0.137 0.000 0.782 469 L CB -0.517 41.676 42.059 0.222 0.000 0.914 469 L HN 0.929 nan 8.230 nan 0.000 0.441 470 S N 0.059 115.746 115.700 -0.021 0.000 2.419 470 S HA -0.192 4.278 4.470 0.000 0.000 0.233 470 S C 2.201 176.723 174.600 -0.129 0.000 1.016 470 S CA 0.800 58.977 58.200 -0.039 0.000 0.974 470 S CB -0.372 62.801 63.200 -0.044 0.000 0.786 470 S HN 0.370 nan 8.310 nan 0.000 0.492 471 A N 1.247 123.898 122.820 -0.283 0.000 1.958 471 A HA -0.048 4.272 4.320 0.000 0.000 0.221 471 A C 1.714 179.091 177.584 -0.345 0.000 1.178 471 A CA 1.712 53.483 52.037 -0.444 0.000 0.642 471 A CB -1.089 17.493 19.000 -0.697 0.000 0.816 471 A HN 0.622 nan 8.150 nan 0.000 0.453 472 F N -0.256 119.698 119.950 0.008 0.000 2.811 472 F HA 0.128 4.655 4.527 0.000 0.000 0.301 472 F C 1.798 177.635 175.800 0.062 0.000 1.151 472 F CA 0.777 58.809 58.000 0.052 0.000 1.412 472 F CB -0.006 39.057 39.000 0.105 0.000 1.113 472 F HN 0.119 nan 8.300 nan 0.000 0.579 473 S N -0.922 114.879 115.700 0.168 0.000 2.733 473 S HA 0.285 4.755 4.470 0.000 0.000 0.247 473 S C 0.490 175.164 174.600 0.123 0.000 1.043 473 S CA -0.320 57.969 58.200 0.149 0.000 1.066 473 S CB 0.397 63.672 63.200 0.125 0.000 1.045 473 S HN -0.003 nan 8.310 nan 0.000 0.586 474 L N 3.511 124.731 121.223 -0.005 0.000 2.485 474 L HA 0.278 4.619 4.340 0.000 0.000 0.275 474 L C 0.470 177.272 176.870 -0.114 0.000 1.207 474 L CA 0.497 55.224 54.840 -0.189 0.000 0.855 474 L CB 0.118 41.921 42.059 -0.428 0.000 1.114 474 L HN 0.556 nan 8.230 nan 0.000 0.485 475 H N -1.691 117.183 119.070 -0.327 0.000 2.918 475 H HA 0.322 4.878 4.556 0.000 0.000 0.303 475 H C -0.293 174.913 175.328 -0.204 0.000 1.380 475 H CA -0.725 55.211 56.048 -0.187 0.000 1.134 475 H CB 0.934 30.695 29.762 -0.002 0.000 1.842 475 H HN 0.385 nan 8.280 nan 0.000 0.533 476 S N -0.531 115.187 115.700 0.030 0.000 3.608 476 S HA -0.241 4.229 4.470 0.000 0.000 0.382 476 S C -0.475 174.132 174.600 0.013 0.000 0.945 476 S CA 0.560 58.787 58.200 0.044 0.000 1.256 476 S CB -2.480 60.695 63.200 -0.041 0.000 0.913 476 S HN 0.520 nan 8.310 nan 0.000 0.518 477 Y N 1.787 122.128 120.300 0.068 0.000 2.394 477 Y HA 0.247 4.797 4.550 0.000 0.000 0.351 477 Y C 1.436 177.386 175.900 0.083 0.000 1.272 477 Y CA 0.594 58.739 58.100 0.075 0.000 1.508 477 Y CB 0.333 38.830 38.460 0.062 0.000 1.369 477 Y HN 0.529 nan 8.280 nan 0.000 0.639 478 S N 1.112 116.964 115.700 0.253 0.000 2.580 478 S HA 0.175 4.645 4.470 0.000 0.000 0.274 478 S C -2.029 172.651 174.600 0.134 0.000 1.329 478 S CA -1.183 57.105 58.200 0.147 0.000 1.036 478 S CB 1.333 64.592 63.200 0.098 0.000 0.919 478 S HN 0.408 nan 8.310 nan 0.000 0.515 479 P HA -0.047 nan 4.420 nan 0.000 0.216 479 P C 1.688 179.027 177.300 0.064 0.000 1.153 479 P CA 1.780 64.926 63.100 0.077 0.000 0.858 479 P CB -0.402 31.334 31.700 0.059 0.000 0.789 480 G N -0.358 108.476 108.800 0.056 0.000 2.408 480 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 480 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 480 G C 1.649 176.577 174.900 0.047 0.000 1.150 480 G CA 0.772 45.897 45.100 0.042 0.000 0.776 480 G HN 0.268 nan 8.290 nan 0.000 0.542 481 E N 0.672 120.916 120.200 0.073 0.000 2.072 481 E HA -0.009 4.341 4.350 0.000 0.000 0.190 481 E C 2.396 179.038 176.600 0.071 0.000 0.982 481 E CA 0.612 57.066 56.400 0.091 0.000 0.803 481 E CB -0.362 29.436 29.700 0.163 0.000 0.755 481 E HN 0.488 nan 8.360 nan 0.000 0.453 482 I N 0.814 121.430 120.570 0.076 0.000 2.226 482 I HA -0.264 3.907 4.170 0.000 0.000 0.245 482 I C 1.747 177.886 176.117 0.035 0.000 1.100 482 I CA 1.067 62.396 61.300 0.049 0.000 1.374 482 I CB -0.396 37.647 38.000 0.072 0.000 1.057 482 I HN 0.127 nan 8.210 nan 0.000 0.413 483 N N 0.702 119.424 118.700 0.038 0.000 2.188 483 N HA -0.182 4.558 4.740 0.000 0.000 0.184 483 N C 1.866 177.382 175.510 0.011 0.000 1.018 483 N CA 1.043 54.109 53.050 0.026 0.000 0.858 483 N CB -0.403 38.101 38.487 0.027 0.000 0.989 483 N HN 0.316 nan 8.380 nan 0.000 0.426 484 R N 0.657 121.160 120.500 0.005 0.000 2.092 484 R HA -0.005 4.335 4.340 0.000 0.000 0.231 484 R C 1.663 177.937 176.300 -0.043 0.000 1.119 484 R CA 0.831 56.919 56.100 -0.021 0.000 0.970 484 R CB -0.089 30.194 30.300 -0.028 0.000 0.864 484 R HN -0.029 nan 8.270 nan 0.000 0.440 485 V N 1.068 120.964 119.914 -0.030 0.000 2.244 485 V HA -0.201 3.919 4.120 0.000 0.000 0.244 485 V C 2.507 178.587 176.094 -0.023 0.000 1.042 485 V CA 1.934 64.208 62.300 -0.042 0.000 1.006 485 V CB -0.893 30.933 31.823 0.005 0.000 0.641 485 V HN 0.551 nan 8.190 nan 0.000 0.446 486 A N -0.352 122.470 122.820 0.004 0.000 1.892 486 A HA -0.308 4.012 4.320 0.000 0.000 0.218 486 A C 2.580 180.170 177.584 0.012 0.000 1.188 486 A CA 2.626 54.675 52.037 0.020 0.000 0.631 486 A CB -1.036 17.982 19.000 0.030 0.000 0.822 486 A HN 0.508 nan 8.150 nan 0.000 0.447 487 S N -1.340 114.362 115.700 0.003 0.000 2.370 487 S HA -0.235 4.235 4.470 0.000 0.000 0.226 487 S C 2.095 176.691 174.600 -0.007 0.000 1.033 487 S CA 1.755 59.956 58.200 0.001 0.000 1.011 487 S CB -1.014 62.184 63.200 -0.002 0.000 0.852 487 S HN 0.810 nan 8.310 nan 0.000 0.457 488 C N 1.354 120.635 119.300 -0.031 0.000 2.429 488 C HA 0.078 4.538 4.460 0.000 0.000 0.277 488 C C 2.522 177.493 174.990 -0.031 0.000 1.262 488 C CA 0.846 59.836 59.018 -0.048 0.000 1.733 488 C CB -1.736 25.939 27.740 -0.108 0.000 2.010 488 C HN 0.690 nan 8.230 nan 0.000 0.483 489 L N 0.406 121.617 121.223 -0.021 0.000 2.042 489 L HA -0.141 4.199 4.340 0.000 0.000 0.210 489 L C 3.057 179.919 176.870 -0.013 0.000 1.076 489 L CA 1.773 56.613 54.840 0.001 0.000 0.749 489 L CB -0.860 41.227 42.059 0.047 0.000 0.893 489 L HN 0.394 nan 8.230 nan 0.000 0.432 490 R N 0.392 120.893 120.500 0.001 0.000 2.066 490 R HA -0.190 4.150 4.340 0.000 0.000 0.232 490 R C 2.357 178.676 176.300 0.031 0.000 1.131 490 R CA 1.492 57.597 56.100 0.008 0.000 0.955 490 R CB -0.315 30.002 30.300 0.028 0.000 0.851 490 R HN 0.282 nan 8.270 nan 0.000 0.432 491 K N 0.654 121.082 120.400 0.047 0.000 2.074 491 K HA -0.174 4.146 4.320 0.000 0.000 0.209 491 K C 1.565 178.260 176.600 0.158 0.000 1.048 491 K CA 1.391 57.737 56.287 0.099 0.000 0.926 491 K CB 0.035 32.570 32.500 0.058 0.000 0.713 491 K HN 0.014 nan 8.250 nan 0.000 0.444 492 L N -0.014 121.227 121.223 0.029 0.000 2.529 492 L HA 0.222 4.562 4.340 0.000 0.000 0.223 492 L C 0.983 177.673 176.870 -0.301 0.000 1.113 492 L CA 1.376 56.209 54.840 -0.011 0.000 0.861 492 L CB 0.109 42.164 42.059 -0.005 0.000 1.012 492 L HN 0.526 nan 8.230 nan 0.000 0.461 493 G N 0.109 108.608 108.800 -0.501 0.000 2.225 493 G HA2 -0.213 3.747 3.960 0.000 0.000 0.264 493 G HA3 -0.213 3.747 3.960 0.000 0.000 0.264 493 G C 0.101 174.848 174.900 -0.254 0.000 1.060 493 G CA 0.240 44.936 45.100 -0.674 0.000 0.833 493 G HN 0.109 nan 8.290 nan 0.000 0.498 494 V N 0.762 120.618 119.914 -0.097 0.000 2.607 494 V HA 0.443 4.563 4.120 0.000 0.000 0.289 494 V C -1.196 174.959 176.094 0.103 0.000 1.053 494 V CA -1.547 60.788 62.300 0.058 0.000 0.996 494 V CB 1.511 33.397 31.823 0.105 0.000 0.995 494 V HN 0.200 nan 8.190 nan 0.000 0.476 495 P HA 0.157 nan 4.420 nan 0.000 0.268 495 P C -2.505 174.901 177.300 0.177 0.000 1.208 495 P CA -0.907 62.212 63.100 0.033 0.000 0.777 495 P CB -0.233 31.318 31.700 -0.249 0.000 0.875 496 P HA 0.057 nan 4.420 nan 0.000 0.271 496 P C 0.834 178.291 177.300 0.262 0.000 1.233 496 P CA 0.026 63.213 63.100 0.146 0.000 0.789 496 P CB 0.686 32.427 31.700 0.068 0.000 0.951 497 L N 0.799 122.186 121.223 0.273 0.000 2.191 497 L HA -0.181 4.159 4.340 0.000 0.000 0.212 497 L C 2.839 179.888 176.870 0.299 0.000 1.103 497 L CA 1.585 56.625 54.840 0.334 0.000 0.769 497 L CB -0.865 41.301 42.059 0.179 0.000 0.908 497 L HN 0.479 nan 8.230 nan 0.000 0.438 498 R N -0.007 120.606 120.500 0.189 0.000 2.120 498 R HA -0.098 4.242 4.340 0.000 0.000 0.234 498 R C 1.940 178.317 176.300 0.127 0.000 1.123 498 R CA 1.412 57.604 56.100 0.154 0.000 0.975 498 R CB -0.882 29.473 30.300 0.092 0.000 0.866 498 R HN 0.138 nan 8.270 nan 0.000 0.446 499 V N 0.531 120.465 119.914 0.034 0.000 2.307 499 V HA -0.187 3.933 4.120 0.000 0.000 0.245 499 V C 1.991 178.040 176.094 -0.075 0.000 1.045 499 V CA 1.871 64.101 62.300 -0.116 0.000 1.024 499 V CB -0.726 30.901 31.823 -0.326 0.000 0.651 499 V HN 0.396 nan 8.190 nan 0.000 0.449 500 W N 0.192 121.589 121.300 0.161 0.000 2.363 500 W HA -0.139 4.521 4.660 0.000 0.000 0.296 500 W C 2.747 179.471 176.519 0.341 0.000 1.212 500 W CA 1.581 59.063 57.345 0.228 0.000 1.260 500 W CB -0.303 29.281 29.460 0.208 0.000 1.131 500 W HN 0.061 nan 8.180 nan 0.000 0.530 501 R N -0.186 120.647 120.500 0.555 0.000 2.083 501 R HA -0.244 4.096 4.340 0.000 0.000 0.237 501 R C 2.057 178.488 176.300 0.217 0.000 1.137 501 R CA 2.210 58.599 56.100 0.481 0.000 0.951 501 R CB -0.775 29.779 30.300 0.423 0.000 0.851 501 R HN 0.276 nan 8.270 nan 0.000 0.434 502 H N 0.118 119.245 119.070 0.094 0.000 2.319 502 H HA -0.069 4.487 4.556 0.000 0.000 0.299 502 H C 2.108 177.422 175.328 -0.022 0.000 1.092 502 H CA 2.330 58.381 56.048 0.005 0.000 1.302 502 H CB 0.144 29.892 29.762 -0.023 0.000 1.373 502 H HN 0.167 nan 8.280 nan 0.000 0.497 503 R N -0.180 120.398 120.500 0.130 0.000 2.096 503 R HA -0.057 4.283 4.340 0.000 0.000 0.235 503 R C 2.568 178.847 176.300 -0.035 0.000 1.127 503 R CA 0.910 57.041 56.100 0.051 0.000 0.968 503 R CB -0.247 30.105 30.300 0.088 0.000 0.861 503 R HN 0.376 nan 8.270 nan 0.000 0.440 504 A N 1.434 124.264 122.820 0.017 0.000 1.933 504 A HA -0.147 4.173 4.320 0.000 0.000 0.218 504 A C 2.068 179.398 177.584 -0.423 0.000 1.175 504 A CA 1.061 52.964 52.037 -0.222 0.000 0.628 504 A CB -0.320 18.644 19.000 -0.060 0.000 0.814 504 A HN 0.195 nan 8.150 nan 0.000 0.444 505 R N -0.508 119.800 120.500 -0.319 0.000 2.081 505 R HA -0.119 4.221 4.340 0.000 0.000 0.235 505 R C 2.650 178.775 176.300 -0.292 0.000 1.131 505 R CA 1.496 57.407 56.100 -0.316 0.000 0.960 505 R CB -0.549 29.580 30.300 -0.285 0.000 0.856 505 R HN 0.596 nan 8.270 nan 0.000 0.436 506 S N 0.545 116.079 115.700 -0.277 0.000 2.351 506 S HA -0.128 4.342 4.470 0.000 0.000 0.220 506 S C 2.127 176.595 174.600 -0.220 0.000 1.035 506 S CA 1.615 59.686 58.200 -0.214 0.000 1.031 506 S CB -0.266 62.839 63.200 -0.158 0.000 0.928 506 S HN 0.118 nan 8.310 nan 0.000 0.433 507 V N 2.701 122.448 119.914 -0.278 0.000 2.324 507 V HA -0.192 3.928 4.120 0.000 0.000 0.250 507 V C 2.767 178.624 176.094 -0.395 0.000 1.060 507 V CA 2.374 64.476 62.300 -0.330 0.000 1.042 507 V CB -0.939 30.613 31.823 -0.451 0.000 0.650 507 V HN 0.519 nan 8.190 nan 0.000 0.450 508 R N 0.150 120.331 120.500 -0.531 0.000 2.083 508 R HA -0.204 4.136 4.340 0.000 0.000 0.237 508 R C 2.323 178.519 176.300 -0.174 0.000 1.137 508 R CA 1.839 57.740 56.100 -0.332 0.000 0.951 508 R CB -0.477 29.646 30.300 -0.294 0.000 0.851 508 R HN 0.493 nan 8.270 nan 0.000 0.434 509 A N 0.968 123.686 122.820 -0.171 0.000 1.877 509 A HA -0.188 4.132 4.320 0.000 0.000 0.216 509 A C 2.208 179.744 177.584 -0.081 0.000 1.186 509 A CA 1.632 53.600 52.037 -0.114 0.000 0.620 509 A CB -0.521 18.410 19.000 -0.116 0.000 0.822 509 A HN 0.356 nan 8.150 nan 0.000 0.443 510 R N -0.621 119.828 120.500 -0.086 0.000 2.103 510 R HA -0.125 4.215 4.340 0.000 0.000 0.242 510 R C 2.050 178.340 176.300 -0.016 0.000 1.142 510 R CA 1.796 57.867 56.100 -0.047 0.000 0.960 510 R CB -0.518 29.754 30.300 -0.047 0.000 0.858 510 R HN 0.573 nan 8.270 nan 0.000 0.439 511 L N -0.110 121.102 121.223 -0.019 0.000 2.072 511 L HA -0.136 4.204 4.340 0.000 0.000 0.205 511 L C 2.194 179.074 176.870 0.017 0.000 1.079 511 L CA 0.958 55.815 54.840 0.030 0.000 0.752 511 L CB -0.348 41.742 42.059 0.052 0.000 0.906 511 L HN 0.198 nan 8.230 nan 0.000 0.436 512 L N -0.962 120.253 121.223 -0.012 0.000 2.046 512 L HA -0.205 4.135 4.340 0.000 0.000 0.208 512 L C 2.713 179.578 176.870 -0.008 0.000 1.077 512 L CA 1.024 55.856 54.840 -0.013 0.000 0.747 512 L CB -0.605 41.434 42.059 -0.035 0.000 0.896 512 L HN 0.187 nan 8.230 nan 0.000 0.432 513 S N -0.560 115.132 115.700 -0.013 0.000 2.402 513 S HA -0.243 4.227 4.470 0.000 0.000 0.233 513 S C 1.887 176.490 174.600 0.005 0.000 1.030 513 S CA 1.308 59.503 58.200 -0.008 0.000 1.003 513 S CB -0.219 62.973 63.200 -0.013 0.000 0.813 513 S HN 0.493 nan 8.310 nan 0.000 0.477 514 Q N 0.135 119.945 119.800 0.016 0.000 2.389 514 Q HA 0.207 4.547 4.340 0.000 0.000 0.204 514 Q C 1.301 177.317 176.000 0.027 0.000 0.944 514 Q CA 0.429 56.248 55.803 0.027 0.000 0.908 514 Q CB -0.108 28.657 28.738 0.044 0.000 1.002 514 Q HN 0.564 nan 8.270 nan 0.000 0.493 515 G N 0.070 108.884 108.800 0.024 0.000 2.796 515 G HA2 -0.132 3.828 3.960 0.000 0.000 0.226 515 G HA3 -0.132 3.828 3.960 0.000 0.000 0.226 515 G C 0.422 175.341 174.900 0.032 0.000 1.381 515 G CA -0.255 44.858 45.100 0.022 0.000 0.867 515 G HN 0.676 nan 8.290 nan 0.000 0.552 516 G N -0.653 108.164 108.800 0.028 0.000 2.596 516 G HA2 -0.248 3.712 3.960 0.000 0.000 0.295 516 G HA3 -0.248 3.712 3.960 0.000 0.000 0.295 516 G C 1.170 176.093 174.900 0.039 0.000 1.240 516 G CA 1.445 46.564 45.100 0.031 0.000 0.985 516 G HN 1.539 nan 8.290 nan 0.000 0.555 517 R N 0.378 120.905 120.500 0.045 0.000 2.096 517 R HA 0.126 4.466 4.340 0.000 0.000 0.235 517 R C 3.246 179.595 176.300 0.082 0.000 1.127 517 R CA 2.013 58.146 56.100 0.054 0.000 0.968 517 R CB -0.578 29.757 30.300 0.059 0.000 0.861 517 R HN 0.701 nan 8.270 nan 0.000 0.440 518 A N 1.324 124.201 122.820 0.095 0.000 1.883 518 A HA -0.157 4.163 4.320 0.000 0.000 0.217 518 A C 2.381 180.020 177.584 0.090 0.000 1.186 518 A CA 1.808 53.919 52.037 0.123 0.000 0.624 518 A CB -0.728 18.340 19.000 0.114 0.000 0.822 518 A HN 0.404 nan 8.150 nan 0.000 0.444 519 A N -1.041 121.815 122.820 0.061 0.000 1.898 519 A HA -0.068 4.252 4.320 0.000 0.000 0.216 519 A C 2.282 179.897 177.584 0.052 0.000 1.181 519 A CA 2.242 54.304 52.037 0.042 0.000 0.620 519 A CB -1.341 17.676 19.000 0.027 0.000 0.819 519 A HN 0.442 nan 8.150 nan 0.000 0.442 520 T N -0.559 114.034 114.554 0.065 0.000 2.699 520 T HA -0.233 4.117 4.350 0.000 0.000 0.268 520 T C 1.883 176.639 174.700 0.094 0.000 1.036 520 T CA 1.648 63.810 62.100 0.103 0.000 1.147 520 T CB -0.780 68.105 68.868 0.029 0.000 0.862 520 T HN 0.580 nan 8.240 nan 0.000 0.446 521 C N 1.270 120.596 119.300 0.043 0.000 2.429 521 C HA 0.053 4.513 4.460 0.000 0.000 0.277 521 C C 3.126 178.111 174.990 -0.008 0.000 1.262 521 C CA 0.422 59.424 59.018 -0.027 0.000 1.733 521 C CB -1.566 26.158 27.740 -0.026 0.000 2.010 521 C HN 0.737 nan 8.230 nan 0.000 0.483 522 G N 0.101 108.939 108.800 0.062 0.000 2.459 522 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 522 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 522 G C 1.663 176.584 174.900 0.035 0.000 1.183 522 G CA 1.095 46.259 45.100 0.106 0.000 0.776 522 G HN 0.597 nan 8.290 nan 0.000 0.552 523 K N -0.779 119.612 120.400 -0.015 0.000 2.009 523 K HA -0.147 4.173 4.320 0.000 0.000 0.210 523 K C 2.298 178.718 176.600 -0.300 0.000 1.049 523 K CA 1.578 57.782 56.287 -0.138 0.000 0.929 523 K CB -0.283 32.149 32.500 -0.114 0.000 0.714 523 K HN 0.429 nan 8.250 nan 0.000 0.440 524 Y N 0.571 120.678 120.300 -0.322 0.000 2.201 524 Y HA -0.023 4.528 4.550 0.000 0.000 0.292 524 Y C 2.086 177.677 175.900 -0.516 0.000 1.119 524 Y CA 0.826 58.547 58.100 -0.632 0.000 1.127 524 Y CB -0.161 37.636 38.460 -1.105 0.000 1.019 524 Y HN -0.038 nan 8.280 nan 0.000 0.514 525 L N -1.846 119.211 121.223 -0.277 0.000 2.291 525 L HA -0.119 4.221 4.340 0.000 0.000 0.214 525 L C 0.628 177.217 176.870 -0.468 0.000 1.120 525 L CA 1.187 55.816 54.840 -0.352 0.000 0.799 525 L CB -0.303 41.335 42.059 -0.701 0.000 0.925 525 L HN 0.166 nan 8.230 nan 0.000 0.446 526 F N -1.664 118.230 119.950 -0.093 0.000 2.735 526 F HA 0.191 4.718 4.527 0.000 0.000 0.308 526 F C 1.571 177.044 175.800 -0.545 0.000 1.112 526 F CA -0.463 57.272 58.000 -0.442 0.000 1.235 526 F CB -0.492 38.274 39.000 -0.391 0.000 1.027 526 F HN -0.101 nan 8.300 nan 0.000 0.528 527 N N 1.125 119.726 118.700 -0.165 0.000 2.223 527 N HA -0.199 4.541 4.740 0.000 0.000 0.185 527 N C 2.018 177.486 175.510 -0.070 0.000 1.016 527 N CA 1.713 54.687 53.050 -0.126 0.000 0.863 527 N CB -0.221 38.210 38.487 -0.094 0.000 0.983 527 N HN 0.519 nan 8.380 nan 0.000 0.429 528 W N -0.384 120.951 121.300 0.058 0.000 2.424 528 W HA 0.044 4.704 4.660 0.000 0.000 0.264 528 W C 1.145 177.717 176.519 0.088 0.000 1.229 528 W CA 0.738 58.129 57.345 0.077 0.000 1.208 528 W CB -0.824 28.697 29.460 0.101 0.000 1.127 528 W HN 0.057 nan 8.180 nan 0.000 0.588 529 A N 1.271 123.724 122.820 -0.611 0.000 2.195 529 A HA 0.253 4.573 4.320 0.000 0.000 0.210 529 A C 0.911 178.342 177.584 -0.256 0.000 1.165 529 A CA 0.912 52.562 52.037 -0.646 0.000 0.806 529 A CB -0.640 17.739 19.000 -1.035 0.000 0.847 529 A HN 0.136 nan 8.150 nan 0.000 0.482 530 V N -2.186 117.618 119.914 -0.183 0.000 2.581 530 V HA 0.418 4.538 4.120 0.000 0.000 0.303 530 V C 0.865 176.923 176.094 -0.061 0.000 1.041 530 V CA -0.601 61.629 62.300 -0.116 0.000 0.907 530 V CB 1.632 33.380 31.823 -0.126 0.000 0.994 530 V HN 0.441 nan 8.190 nan 0.000 0.442 531 K N 1.703 122.076 120.400 -0.045 0.000 2.031 531 K HA -0.013 4.307 4.320 0.000 0.000 0.205 531 K C 0.755 177.331 176.600 -0.040 0.000 1.049 531 K CA 1.347 57.616 56.287 -0.030 0.000 0.939 531 K CB -0.695 31.792 32.500 -0.021 0.000 0.717 531 K HN 0.655 nan 8.250 nan 0.000 0.438 532 T N 3.166 117.692 114.554 -0.048 0.000 3.455 532 T HA 0.171 4.521 4.350 0.000 0.000 0.286 532 T C -0.398 174.266 174.700 -0.061 0.000 1.157 532 T CA -0.125 61.945 62.100 -0.050 0.000 1.090 532 T CB 0.167 69.006 68.868 -0.048 0.000 1.112 532 T HN 0.075 nan 8.240 nan 0.000 0.779 533 K N 2.335 122.700 120.400 -0.058 0.000 2.448 533 K HA 0.243 4.563 4.320 0.000 0.000 0.278 533 K C 0.135 176.689 176.600 -0.076 0.000 1.009 533 K CA -0.307 55.940 56.287 -0.067 0.000 0.995 533 K CB 0.231 32.700 32.500 -0.052 0.000 0.917 533 K HN 0.290 nan 8.250 nan 0.000 0.481 534 L N 2.344 123.505 121.223 -0.103 0.000 2.472 534 L HA 0.216 4.557 4.340 0.000 0.000 0.260 534 L C 0.394 177.196 176.870 -0.112 0.000 1.209 534 L CA 0.263 55.033 54.840 -0.117 0.000 0.817 534 L CB 0.330 42.289 42.059 -0.166 0.000 1.106 534 L HN 0.454 nan 8.230 nan 0.000 0.479 535 K N 1.626 121.969 120.400 -0.096 0.000 2.211 535 K HA 0.528 4.848 4.320 0.000 0.000 0.275 535 K C -1.324 175.212 176.600 -0.106 0.000 1.024 535 K CA -0.402 55.840 56.287 -0.075 0.000 0.887 535 K CB 0.548 33.026 32.500 -0.036 0.000 1.084 535 K HN 0.447 nan 8.250 nan 0.000 0.463 536 L N 4.402 125.562 121.223 -0.106 0.000 2.275 536 L HA 0.357 4.697 4.340 0.000 0.000 0.288 536 L C 0.319 177.231 176.870 0.070 0.000 1.046 536 L CA -0.673 54.077 54.840 -0.150 0.000 0.805 536 L CB 1.444 43.367 42.059 -0.226 0.000 1.193 536 L HN 0.786 nan 8.230 nan 0.000 0.426 537 T N 0.370 115.014 114.554 0.150 0.000 2.932 537 T HA 0.575 4.925 4.350 0.000 0.000 0.289 537 T C -2.666 172.160 174.700 0.209 0.000 1.039 537 T CA -2.488 59.704 62.100 0.152 0.000 1.024 537 T CB 1.659 70.583 68.868 0.094 0.000 1.090 537 T HN 0.182 nan 8.240 nan 0.000 0.496 538 P HA 0.140 nan 4.420 nan 0.000 0.261 538 P C -0.472 176.850 177.300 0.037 0.000 1.173 538 P CA 0.097 63.247 63.100 0.084 0.000 0.760 538 P CB 0.036 31.767 31.700 0.052 0.000 0.783 539 I N 6.624 127.167 120.570 -0.044 0.000 2.416 539 I HA 0.077 4.247 4.170 0.000 0.000 0.288 539 I C -1.154 174.922 176.117 -0.068 0.000 1.051 539 I CA -1.757 59.467 61.300 -0.127 0.000 1.375 539 I CB 1.014 38.837 38.000 -0.295 0.000 1.407 539 I HN 0.333 nan 8.210 nan 0.000 0.516 540 P HA -0.218 nan 4.420 nan 0.000 0.215 540 P C 1.463 178.738 177.300 -0.041 0.000 1.157 540 P CA 1.271 64.352 63.100 -0.031 0.000 0.868 540 P CB 0.190 31.879 31.700 -0.019 0.000 0.788 541 A N -0.210 122.578 122.820 -0.053 0.000 2.076 541 A HA -0.158 4.162 4.320 0.000 0.000 0.220 541 A C 2.279 179.823 177.584 -0.067 0.000 1.160 541 A CA 2.021 54.026 52.037 -0.054 0.000 0.653 541 A CB -1.524 17.443 19.000 -0.055 0.000 0.801 541 A HN 0.217 nan 8.150 nan 0.000 0.455 542 A N 0.489 123.263 122.820 -0.076 0.000 1.877 542 A HA -0.116 4.204 4.320 0.000 0.000 0.216 542 A C 2.508 180.047 177.584 -0.075 0.000 1.186 542 A CA 2.314 54.301 52.037 -0.082 0.000 0.620 542 A CB -1.059 17.898 19.000 -0.071 0.000 0.822 542 A HN 1.028 nan 8.150 nan 0.000 0.443 543 S N -0.060 115.608 115.700 -0.054 0.000 2.419 543 S HA -0.173 4.297 4.470 0.000 0.000 0.233 543 S C 1.862 176.432 174.600 -0.049 0.000 1.016 543 S CA 1.279 59.452 58.200 -0.046 0.000 0.974 543 S CB -0.408 62.775 63.200 -0.029 0.000 0.786 543 S HN 0.624 nan 8.310 nan 0.000 0.492 544 R N 0.020 120.490 120.500 -0.050 0.000 2.193 544 R HA 0.291 4.632 4.340 0.000 0.000 0.213 544 R C 0.076 176.340 176.300 -0.060 0.000 1.055 544 R CA -0.080 55.993 56.100 -0.045 0.000 0.995 544 R CB -0.459 29.819 30.300 -0.036 0.000 0.893 544 R HN 0.299 nan 8.270 nan 0.000 0.459 545 L N 2.339 123.511 121.223 -0.085 0.000 2.559 545 L HA -0.070 4.270 4.340 0.000 0.000 0.274 545 L C -0.020 176.773 176.870 -0.128 0.000 1.205 545 L CA 0.646 55.415 54.840 -0.118 0.000 0.907 545 L CB 0.371 42.325 42.059 -0.174 0.000 1.153 545 L HN -0.053 nan 8.230 nan 0.000 0.490 546 D N 4.599 124.936 120.400 -0.106 0.000 2.483 546 D HA 0.082 4.722 4.640 0.000 0.000 0.220 546 D C 0.271 176.488 176.300 -0.138 0.000 1.173 546 D CA -0.229 53.719 54.000 -0.086 0.000 0.964 546 D CB 0.430 41.210 40.800 -0.034 0.000 1.046 546 D HN 0.320 nan 8.370 nan 0.000 0.517 547 L N 2.696 123.782 121.223 -0.230 0.000 2.728 547 L HA 0.118 4.458 4.340 0.000 0.000 0.235 547 L C 0.784 177.597 176.870 -0.095 0.000 1.197 547 L CA -0.040 54.544 54.840 -0.428 0.000 0.992 547 L CB -0.908 40.783 42.059 -0.614 0.000 1.263 547 L HN 0.241 nan 8.230 nan 0.000 0.484 548 S N -1.630 114.070 115.700 -0.000 0.000 2.585 548 S HA 0.528 4.999 4.470 0.000 0.000 0.273 548 S C 1.374 176.015 174.600 0.068 0.000 1.339 548 S CA 0.072 58.300 58.200 0.046 0.000 1.028 548 S CB 1.321 64.529 63.200 0.014 0.000 0.906 548 S HN 0.555 nan 8.310 nan 0.000 0.528 549 G N 0.708 109.497 108.800 -0.018 0.000 2.225 549 G HA2 -0.231 3.729 3.960 0.000 0.000 0.254 549 G HA3 -0.231 3.729 3.960 0.000 0.000 0.254 549 G C -0.348 174.509 174.900 -0.071 0.000 0.988 549 G CA 0.031 44.961 45.100 -0.284 0.000 0.625 549 G HN 0.712 nan 8.290 nan 0.000 0.527 550 W N 0.524 121.687 121.300 -0.229 0.000 2.390 550 W HA 0.705 5.366 4.660 0.000 0.000 0.312 550 W C 0.530 176.845 176.519 -0.340 0.000 1.123 550 W CA -0.678 56.351 57.345 -0.526 0.000 1.202 550 W CB -0.080 28.842 29.460 -0.896 0.000 1.251 550 W HN 0.317 nan 8.180 nan 0.000 0.511 551 F N 1.112 121.227 119.950 0.274 0.000 3.074 551 F HA -0.285 4.242 4.527 0.000 0.000 0.287 551 F C 0.704 176.625 175.800 0.201 0.000 0.932 551 F CA 0.078 58.247 58.000 0.281 0.000 0.995 551 F CB -2.013 37.120 39.000 0.220 0.000 0.966 551 F HN 0.179 nan 8.300 nan 0.000 0.721 552 V N -1.502 118.598 119.914 0.310 0.000 2.521 552 V HA 0.572 4.692 4.120 0.000 0.000 0.239 552 V C 1.418 177.642 176.094 0.218 0.000 1.053 552 V CA 1.334 63.767 62.300 0.222 0.000 1.073 552 V CB 0.344 32.278 31.823 0.185 0.000 0.746 552 V HN 0.689 nan 8.190 nan 0.000 0.476 553 A N -1.094 121.823 122.820 0.161 0.000 2.588 553 A HA 0.772 5.092 4.320 0.000 0.000 0.290 553 A C -0.286 177.028 177.584 -0.450 0.000 1.136 553 A CA 0.073 52.069 52.037 -0.068 0.000 0.681 553 A CB 0.886 19.688 19.000 -0.330 0.000 1.282 553 A HN 0.391 nan 8.150 nan 0.000 0.421 554 G N -1.596 106.669 108.800 -0.892 0.000 2.389 554 G HA2 0.559 4.519 3.960 0.000 0.000 0.317 554 G HA3 0.559 4.519 3.960 0.000 0.000 0.317 554 G C -1.068 173.205 174.900 -1.045 0.000 1.137 554 G CA -0.123 44.152 45.100 -1.374 0.000 0.870 554 G HN 0.612 nan 8.290 nan 0.000 0.496 555 Y N 0.492 120.591 120.300 -0.335 0.000 2.810 555 Y HA 0.276 4.826 4.550 0.000 0.000 0.244 555 Y C 1.126 176.956 175.900 -0.117 0.000 1.092 555 Y CA -0.850 57.154 58.100 -0.160 0.000 1.130 555 Y CB 0.581 38.986 38.460 -0.092 0.000 1.219 555 Y HN 0.511 nan 8.280 nan 0.000 0.616 556 S N 0.871 116.547 115.700 -0.041 0.000 2.509 556 S HA 0.377 4.847 4.470 0.000 0.000 0.287 556 S C 1.353 175.975 174.600 0.038 0.000 1.248 556 S CA 1.428 59.633 58.200 0.009 0.000 1.089 556 S CB -0.007 63.200 63.200 0.012 0.000 0.900 556 S HN 1.077 nan 8.310 nan 0.000 0.496 557 G N 3.558 112.383 108.800 0.042 0.000 2.195 557 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 557 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 557 G C 0.788 175.718 174.900 0.050 0.000 0.984 557 G CA 0.192 45.322 45.100 0.049 0.000 0.633 557 G HN 1.326 nan 8.290 nan 0.000 0.525 558 G N -0.116 108.720 108.800 0.059 0.000 3.042 558 G HA2 0.409 4.369 3.960 0.000 0.000 0.212 558 G HA3 0.409 4.369 3.960 0.000 0.000 0.212 558 G C 0.444 175.362 174.900 0.031 0.000 1.166 558 G CA 1.160 46.309 45.100 0.081 0.000 0.767 558 G HN 1.154 nan 8.290 nan 0.000 0.546 559 D N -0.466 119.920 120.400 -0.024 0.000 2.716 559 D HA -0.157 4.483 4.640 0.000 0.000 0.239 559 D C -0.055 176.169 176.300 -0.127 0.000 1.125 559 D CA 0.361 54.316 54.000 -0.075 0.000 0.681 559 D CB -1.133 39.637 40.800 -0.050 0.000 1.070 559 D HN 0.116 nan 8.370 nan 0.000 0.432 560 I N 1.097 121.557 120.570 -0.184 0.000 2.493 560 I HA 0.452 4.623 4.170 0.000 0.000 0.298 560 I C -0.084 175.789 176.117 -0.406 0.000 0.998 560 I CA -0.754 60.331 61.300 -0.359 0.000 1.137 560 I CB 1.421 39.087 38.000 -0.557 0.000 1.310 560 I HN 0.125 nan 8.210 nan 0.000 0.445 561 Y N 5.328 125.216 120.300 -0.687 0.000 2.421 561 Y HA 0.484 5.035 4.550 0.000 0.000 0.339 561 Y C -1.301 174.104 175.900 -0.826 0.000 0.996 561 Y CA -0.665 57.040 58.100 -0.658 0.000 1.046 561 Y CB 1.483 39.707 38.460 -0.394 0.000 1.226 561 Y HN 0.590 nan 8.280 nan 0.000 0.445 562 H N 3.108 121.509 119.070 -1.116 0.000 2.589 562 H HA 0.542 5.098 4.556 0.000 0.000 0.335 562 H C -0.396 174.338 175.328 -0.990 0.000 1.019 562 H CA -0.640 54.882 56.048 -0.877 0.000 1.213 562 H CB 1.521 30.925 29.762 -0.596 0.000 1.472 562 H HN 0.706 nan 8.280 nan 0.000 0.508 563 S N 0.000 115.351 115.700 -0.582 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.046 58.200 -0.256 0.000 1.107 563 S CB 0.000 63.187 63.200 -0.023 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517