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 1xxh_1_B DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.137 176.094 0.071 0.000 1.182 5 V CA 0.000 62.325 62.300 0.041 0.000 1.235 5 V CB 0.000 31.838 31.823 0.025 0.000 1.184 6 L N 1.797 123.065 121.223 0.075 0.000 2.369 6 L HA -0.212 4.128 4.340 -0.000 0.000 0.220 6 L C 2.765 179.718 176.870 0.138 0.000 1.119 6 L CA 2.280 57.198 54.840 0.129 0.000 0.780 6 L CB -0.491 41.547 42.059 -0.036 0.000 0.906 6 L HN 1.050 nan 8.230 nan 0.000 0.442 7 A N 0.993 123.856 122.820 0.072 0.000 1.865 7 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 7 A C 2.328 179.960 177.584 0.081 0.000 1.191 7 A CA 2.174 54.246 52.037 0.058 0.000 0.623 7 A CB -0.424 18.593 19.000 0.028 0.000 0.826 7 A HN 0.472 nan 8.150 nan 0.000 0.444 8 R N 0.119 120.662 120.500 0.073 0.000 2.080 8 R HA 0.042 4.382 4.340 -0.000 0.000 0.222 8 R C 2.005 178.351 176.300 0.076 0.000 1.107 8 R CA 1.997 58.130 56.100 0.054 0.000 0.980 8 R CB -0.684 29.635 30.300 0.031 0.000 0.879 8 R HN 0.426 nan 8.270 nan 0.000 0.439 9 K N -0.766 119.708 120.400 0.124 0.000 2.211 9 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 9 K C 0.267 176.914 176.600 0.078 0.000 1.047 9 K CA 1.510 57.866 56.287 0.115 0.000 0.935 9 K CB -0.083 32.542 32.500 0.209 0.000 0.728 9 K HN 0.334 nan 8.250 nan 0.000 0.452 10 W N 1.166 122.456 121.300 -0.016 0.000 2.991 10 W HA 0.236 4.896 4.660 -0.000 0.000 0.391 10 W C -0.054 176.445 176.519 -0.034 0.000 1.054 10 W CA -0.775 56.560 57.345 -0.016 0.000 1.856 10 W CB 0.218 29.675 29.460 -0.004 0.000 1.132 10 W HN -0.096 nan 8.180 nan 0.000 0.601 11 R N 2.324 122.887 120.500 0.105 0.000 2.504 11 R HA 0.049 4.389 4.340 -0.000 0.000 0.291 11 R C -2.337 173.949 176.300 -0.022 0.000 0.974 11 R CA -0.840 55.276 56.100 0.026 0.000 1.077 11 R CB -0.078 30.215 30.300 -0.011 0.000 0.926 11 R HN -0.174 nan 8.270 nan 0.000 0.407 12 P HA -0.052 nan 4.420 nan 0.000 0.263 12 P C -0.663 176.561 177.300 -0.125 0.000 1.175 12 P CA 0.301 63.348 63.100 -0.088 0.000 0.761 12 P CB 0.778 32.402 31.700 -0.127 0.000 0.794 13 Q N 0.306 120.036 119.800 -0.117 0.000 2.316 13 Q HA 0.135 4.475 4.340 -0.000 0.000 0.235 13 Q C 0.340 176.271 176.000 -0.115 0.000 0.863 13 Q CA 0.615 56.349 55.803 -0.116 0.000 0.939 13 Q CB 0.528 29.210 28.738 -0.093 0.000 1.108 13 Q HN 0.605 nan 8.270 nan 0.000 0.522 14 T N -4.213 110.274 114.554 -0.112 0.000 2.900 14 T HA 0.381 4.731 4.350 -0.000 0.000 0.303 14 T C 0.194 174.841 174.700 -0.088 0.000 1.142 14 T CA -0.704 61.363 62.100 -0.054 0.000 1.007 14 T CB 0.203 69.083 68.868 0.019 0.000 1.156 14 T HN -0.061 nan 8.240 nan 0.000 0.490 15 F N 1.119 121.034 119.950 -0.059 0.000 2.287 15 F HA 0.052 4.579 4.527 -0.000 0.000 0.301 15 F C 2.728 178.501 175.800 -0.045 0.000 1.069 15 F CA 1.384 59.350 58.000 -0.058 0.000 1.372 15 F CB -0.346 38.620 39.000 -0.057 0.000 1.056 15 F HN 0.813 nan 8.300 nan 0.000 0.523 16 A N -0.966 121.925 122.820 0.118 0.000 2.167 16 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 16 A C 1.512 179.104 177.584 0.013 0.000 1.151 16 A CA 1.115 53.187 52.037 0.059 0.000 0.735 16 A CB -0.370 18.659 19.000 0.048 0.000 0.802 16 A HN 0.198 nan 8.150 nan 0.000 0.467 17 D N -0.500 119.892 120.400 -0.013 0.000 2.339 17 D HA 0.139 4.779 4.640 -0.000 0.000 0.217 17 D C -0.100 176.175 176.300 -0.041 0.000 1.050 17 D CA 0.339 54.321 54.000 -0.030 0.000 0.856 17 D CB 0.502 41.274 40.800 -0.046 0.000 0.922 17 D HN 0.142 nan 8.370 nan 0.000 0.518 18 V N 1.911 121.794 119.914 -0.052 0.000 2.407 18 V HA 0.125 4.245 4.120 -0.000 0.000 0.278 18 V C 0.537 176.615 176.094 -0.027 0.000 1.037 18 V CA -0.688 61.578 62.300 -0.058 0.000 0.900 18 V CB 1.960 33.723 31.823 -0.100 0.000 0.983 18 V HN -0.193 nan 8.190 nan 0.000 0.459 19 V N 4.079 123.980 119.914 -0.022 0.000 2.614 19 V HA 0.346 4.466 4.120 -0.000 0.000 0.291 19 V C 1.377 177.475 176.094 0.006 0.000 1.049 19 V CA 0.251 62.544 62.300 -0.012 0.000 1.038 19 V CB 0.859 32.675 31.823 -0.012 0.000 0.980 19 V HN 1.183 nan 8.190 nan 0.000 0.481 20 G N 4.358 113.166 108.800 0.014 0.000 2.098 20 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 20 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 20 G C 0.466 175.418 174.900 0.086 0.000 0.785 20 G CA 0.409 45.535 45.100 0.042 0.000 1.123 20 G HN 0.729 nan 8.290 nan 0.000 0.375 21 Q N -0.521 119.328 119.800 0.081 0.000 2.057 21 Q HA 0.138 4.478 4.340 -0.000 0.000 0.216 21 Q C 1.701 177.726 176.000 0.041 0.000 0.788 21 Q CA 0.120 55.980 55.803 0.095 0.000 1.053 21 Q CB 0.451 29.205 28.738 0.026 0.000 1.210 21 Q HN 0.691 nan 8.270 nan 0.000 0.455 22 E N 0.950 121.216 120.200 0.109 0.000 2.241 22 E HA -0.293 4.057 4.350 -0.000 0.000 0.244 22 E C 1.570 178.213 176.600 0.072 0.000 1.070 22 E CA 2.373 58.832 56.400 0.098 0.000 0.998 22 E CB -0.770 29.002 29.700 0.120 0.000 0.879 22 E HN 0.552 nan 8.360 nan 0.000 0.501 23 H N -0.149 118.968 119.070 0.079 0.000 2.520 23 H HA -0.096 4.460 4.556 -0.000 0.000 0.295 23 H C 1.674 177.092 175.328 0.151 0.000 1.096 23 H CA 1.616 57.726 56.048 0.104 0.000 1.249 23 H CB -0.505 29.319 29.762 0.103 0.000 1.365 23 H HN 0.169 nan 8.280 nan 0.000 0.556 24 V N 0.700 120.314 119.914 -0.500 0.000 3.085 24 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 24 V C 2.873 178.855 176.094 -0.187 0.000 1.114 24 V CA 0.428 62.525 62.300 -0.338 0.000 1.108 24 V CB -0.076 31.562 31.823 -0.308 0.000 0.798 24 V HN 0.199 nan 8.190 nan 0.000 0.471 25 L N -0.165 121.018 121.223 -0.067 0.000 2.007 25 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 25 L C 2.668 179.547 176.870 0.016 0.000 1.073 25 L CA 1.912 56.796 54.840 0.073 0.000 0.744 25 L CB -1.236 40.897 42.059 0.123 0.000 0.898 25 L HN 0.281 nan 8.230 nan 0.000 0.435 26 T N 0.424 114.983 114.554 0.008 0.000 2.653 26 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 26 T C 1.979 176.670 174.700 -0.014 0.000 1.035 26 T CA 1.683 63.782 62.100 -0.001 0.000 1.154 26 T CB -0.391 68.498 68.868 0.034 0.000 0.862 26 T HN 0.467 nan 8.240 nan 0.000 0.441 27 A N 1.233 124.055 122.820 0.003 0.000 1.841 27 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 27 A C 2.372 179.937 177.584 -0.031 0.000 1.199 27 A CA 1.534 53.591 52.037 0.033 0.000 0.621 27 A CB -1.048 18.037 19.000 0.141 0.000 0.835 27 A HN 0.474 nan 8.150 nan 0.000 0.445 28 L N -0.795 120.347 121.223 -0.134 0.000 2.042 28 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 28 L C 3.123 179.912 176.870 -0.136 0.000 1.076 28 L CA 1.098 55.890 54.840 -0.080 0.000 0.749 28 L CB -0.598 41.463 42.059 0.003 0.000 0.893 28 L HN 0.484 nan 8.230 nan 0.000 0.432 29 A N 0.373 123.038 122.820 -0.259 0.000 1.865 29 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 29 A C 2.059 179.506 177.584 -0.227 0.000 1.191 29 A CA 2.421 54.190 52.037 -0.447 0.000 0.623 29 A CB -0.834 17.919 19.000 -0.411 0.000 0.826 29 A HN 0.493 nan 8.150 nan 0.000 0.444 30 N N -0.311 118.319 118.700 -0.116 0.000 2.106 30 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 30 N C 1.687 177.189 175.510 -0.012 0.000 1.029 30 N CA 1.727 54.747 53.050 -0.051 0.000 0.848 30 N CB -0.530 37.950 38.487 -0.013 0.000 1.007 30 N HN 0.320 nan 8.380 nan 0.000 0.423 31 G N -0.440 108.375 108.800 0.025 0.000 2.586 31 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 31 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 31 G C 1.271 176.211 174.900 0.066 0.000 1.128 31 G CA 0.396 45.547 45.100 0.087 0.000 0.774 31 G HN 0.321 nan 8.290 nan 0.000 0.543 32 L N 0.571 121.791 121.223 -0.005 0.000 2.408 32 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 32 L C 3.001 179.855 176.870 -0.027 0.000 1.081 32 L CA 0.898 55.725 54.840 -0.023 0.000 0.840 32 L CB 0.082 42.078 42.059 -0.104 0.000 1.002 32 L HN 0.318 nan 8.230 nan 0.000 0.468 33 S N -0.271 115.401 115.700 -0.047 0.000 2.414 33 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 33 S C 1.431 176.027 174.600 -0.006 0.000 1.022 33 S CA 0.492 58.671 58.200 -0.036 0.000 0.958 33 S CB -0.168 63.002 63.200 -0.051 0.000 0.797 33 S HN 0.333 nan 8.310 nan 0.000 0.493 34 L N 1.614 122.842 121.223 0.009 0.000 2.984 34 L HA 0.387 4.727 4.340 -0.000 0.000 0.246 34 L C 1.436 178.326 176.870 0.034 0.000 1.268 34 L CA 0.042 54.894 54.840 0.020 0.000 1.054 34 L CB -0.504 41.568 42.059 0.021 0.000 1.393 34 L HN 0.549 nan 8.230 nan 0.000 0.532 35 G N 1.025 109.851 108.800 0.042 0.000 2.269 35 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 35 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 35 G C 0.586 175.525 174.900 0.065 0.000 1.008 35 G CA 0.275 45.412 45.100 0.062 0.000 0.774 35 G HN 0.433 nan 8.290 nan 0.000 0.511 36 R N 0.295 120.836 120.500 0.070 0.000 2.296 36 R HA 0.365 4.705 4.340 -0.000 0.000 0.327 36 R C -0.260 176.127 176.300 0.146 0.000 1.137 36 R CA -0.477 55.665 56.100 0.070 0.000 1.020 36 R CB 0.031 30.378 30.300 0.078 0.000 1.110 36 R HN 0.147 nan 8.270 nan 0.000 0.499 37 I N 4.904 125.528 120.570 0.090 0.000 2.390 37 I HA 0.197 4.366 4.170 -0.000 0.000 0.283 37 I C 0.328 176.471 176.117 0.045 0.000 1.016 37 I CA -1.069 60.317 61.300 0.143 0.000 1.151 37 I CB 0.605 38.618 38.000 0.021 0.000 1.293 37 I HN 0.472 nan 8.210 nan 0.000 0.458 38 H N 4.548 123.633 119.070 0.024 0.000 2.654 38 H HA 0.192 4.747 4.556 -0.000 0.000 0.376 38 H C 1.053 176.309 175.328 -0.120 0.000 1.503 38 H CA 0.272 56.234 56.048 -0.144 0.000 1.464 38 H CB 0.630 30.252 29.762 -0.232 0.000 1.565 38 H HN 0.356 nan 8.280 nan 0.000 0.614 39 H N -0.973 118.230 119.070 0.223 0.000 2.539 39 H HA 0.549 5.105 4.556 -0.000 0.000 0.269 39 H C -0.194 175.306 175.328 0.286 0.000 0.980 39 H CA 0.728 56.894 56.048 0.197 0.000 1.152 39 H CB 0.354 30.192 29.762 0.127 0.000 1.407 39 H HN 0.536 nan 8.280 nan 0.000 0.564 40 A N 0.341 123.397 122.820 0.394 0.000 2.560 40 A HA 0.458 4.777 4.320 -0.000 0.000 0.300 40 A C -1.895 175.869 177.584 0.300 0.000 1.062 40 A CA -0.718 51.569 52.037 0.416 0.000 0.767 40 A CB 0.704 19.869 19.000 0.275 0.000 1.288 40 A HN 0.025 nan 8.150 nan 0.000 0.396 41 Y N 0.286 120.664 120.300 0.129 0.000 2.602 41 Y HA 0.843 5.393 4.550 -0.000 0.000 0.330 41 Y C 0.046 175.937 175.900 -0.015 0.000 1.114 41 Y CA -1.511 56.600 58.100 0.019 0.000 1.182 41 Y CB 2.030 40.522 38.460 0.053 0.000 1.305 41 Y HN 0.736 nan 8.280 nan 0.000 0.502 42 L N 2.184 123.355 121.223 -0.086 0.000 2.596 42 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 42 L C -2.145 174.595 176.870 -0.217 0.000 0.962 42 L CA -0.367 54.441 54.840 -0.055 0.000 0.891 42 L CB 0.689 42.720 42.059 -0.045 0.000 1.248 42 L HN 0.493 nan 8.230 nan 0.000 0.410 43 F N 3.011 123.051 119.950 0.150 0.000 2.385 43 F HA 0.496 5.023 4.527 -0.000 0.000 0.360 43 F C 0.589 176.406 175.800 0.028 0.000 1.122 43 F CA -0.452 57.619 58.000 0.118 0.000 1.090 43 F CB 1.946 41.006 39.000 0.099 0.000 1.150 43 F HN 0.412 nan 8.300 nan 0.000 0.472 44 S N 1.949 117.691 115.700 0.070 0.000 2.500 44 S HA 1.002 5.472 4.470 -0.000 0.000 0.301 44 S C -0.324 174.171 174.600 -0.175 0.000 1.092 44 S CA -0.487 57.652 58.200 -0.102 0.000 1.030 44 S CB 1.939 64.979 63.200 -0.267 0.000 1.031 44 S HN 1.116 nan 8.310 nan 0.000 0.483 45 G N 1.225 109.966 108.800 -0.097 0.000 2.321 45 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 45 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 45 G C -0.456 174.458 174.900 0.023 0.000 1.287 45 G CA -0.103 44.995 45.100 -0.004 0.000 0.846 45 G HN 1.201 nan 8.290 nan 0.000 0.508 46 T N -0.944 113.643 114.554 0.055 0.000 2.771 46 T HA 0.603 4.952 4.350 -0.000 0.000 0.290 46 T C 0.412 175.133 174.700 0.034 0.000 1.005 46 T CA -0.567 61.557 62.100 0.040 0.000 0.944 46 T CB 0.724 69.619 68.868 0.045 0.000 1.147 46 T HN 0.497 nan 8.240 nan 0.000 0.534 47 R N 0.720 121.237 120.500 0.028 0.000 2.484 47 R HA 0.307 4.647 4.340 -0.000 0.000 0.293 47 R C 1.413 177.725 176.300 0.021 0.000 1.023 47 R CA 0.783 56.898 56.100 0.024 0.000 1.037 47 R CB -0.680 29.633 30.300 0.022 0.000 0.951 47 R HN 1.226 nan 8.270 nan 0.000 0.418 48 G N 2.056 110.865 108.800 0.016 0.000 2.372 48 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.297 48 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.297 48 G C 0.587 175.493 174.900 0.011 0.000 1.005 48 G CA 0.530 45.636 45.100 0.009 0.000 1.173 48 G HN 0.570 nan 8.290 nan 0.000 0.511 49 V N -3.074 116.850 119.914 0.017 0.000 3.621 49 V HA 0.687 4.807 4.120 -0.000 0.000 0.263 49 V C 1.723 177.822 176.094 0.010 0.000 1.272 49 V CA 1.065 63.381 62.300 0.026 0.000 1.080 49 V CB 0.340 32.196 31.823 0.054 0.000 0.816 49 V HN 2.282 nan 8.190 nan 0.000 0.451 50 G N 0.868 109.660 108.800 -0.013 0.000 2.151 50 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.156 50 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.156 50 G C 0.509 175.352 174.900 -0.096 0.000 1.017 50 G CA 0.319 45.385 45.100 -0.057 0.000 0.686 50 G HN 0.437 nan 8.290 nan 0.000 0.503 51 K N -0.374 119.992 120.400 -0.056 0.000 2.002 51 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 51 K C 2.598 179.070 176.600 -0.214 0.000 1.048 51 K CA 1.958 58.199 56.287 -0.076 0.000 0.930 51 K CB -0.285 32.237 32.500 0.037 0.000 0.714 51 K HN 0.329 nan 8.250 nan 0.000 0.438 52 T N 0.874 115.351 114.554 -0.128 0.000 2.708 52 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 52 T C 2.136 176.717 174.700 -0.198 0.000 1.037 52 T CA 1.566 63.585 62.100 -0.136 0.000 1.146 52 T CB -0.191 68.634 68.868 -0.071 0.000 0.865 52 T HN 0.141 nan 8.240 nan 0.000 0.435 53 S N 0.998 116.586 115.700 -0.187 0.000 2.368 53 S HA 0.027 4.496 4.470 -0.000 0.000 0.225 53 S C 2.043 176.450 174.600 -0.321 0.000 1.030 53 S CA 0.882 58.956 58.200 -0.210 0.000 0.999 53 S CB -0.372 62.729 63.200 -0.164 0.000 0.844 53 S HN 0.415 nan 8.310 nan 0.000 0.459 54 I N 1.427 121.758 120.570 -0.400 0.000 2.353 54 I HA -0.142 4.027 4.170 -0.000 0.000 0.248 54 I C 2.643 178.372 176.117 -0.647 0.000 1.119 54 I CA 0.840 61.816 61.300 -0.540 0.000 1.417 54 I CB -0.460 37.234 38.000 -0.511 0.000 1.078 54 I HN 0.254 nan 8.210 nan 0.000 0.421 55 A N 0.774 123.161 122.820 -0.721 0.000 1.902 55 A HA -0.238 4.081 4.320 -0.000 0.000 0.217 55 A C 2.456 179.857 177.584 -0.306 0.000 1.181 55 A CA 1.560 53.263 52.037 -0.557 0.000 0.623 55 A CB -0.597 18.181 19.000 -0.369 0.000 0.818 55 A HN 0.287 nan 8.150 nan 0.000 0.443 56 R N -0.572 119.768 120.500 -0.267 0.000 2.075 56 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 56 R C 2.072 178.237 176.300 -0.225 0.000 1.126 56 R CA 1.377 57.355 56.100 -0.203 0.000 0.963 56 R CB -0.396 29.799 30.300 -0.174 0.000 0.858 56 R HN 0.570 nan 8.270 nan 0.000 0.435 57 L N 0.527 121.564 121.223 -0.311 0.000 2.046 57 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 57 L C 2.460 179.218 176.870 -0.187 0.000 1.077 57 L CA 0.703 55.330 54.840 -0.356 0.000 0.747 57 L CB -0.489 41.115 42.059 -0.757 0.000 0.896 57 L HN 0.239 nan 8.230 nan 0.000 0.432 58 L N 0.361 121.470 121.223 -0.190 0.000 2.042 58 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 58 L C 2.625 179.444 176.870 -0.084 0.000 1.076 58 L CA 2.059 56.860 54.840 -0.065 0.000 0.749 58 L CB -0.723 41.246 42.059 -0.149 0.000 0.893 58 L HN 0.155 nan 8.230 nan 0.000 0.432 59 A N -1.021 121.728 122.820 -0.119 0.000 1.969 59 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 59 A C 2.449 179.985 177.584 -0.080 0.000 1.169 59 A CA 1.802 53.783 52.037 -0.094 0.000 0.635 59 A CB -0.554 18.390 19.000 -0.093 0.000 0.810 59 A HN 0.488 nan 8.150 nan 0.000 0.445 60 K N -0.822 119.518 120.400 -0.100 0.000 2.155 60 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 60 K C 1.798 178.381 176.600 -0.029 0.000 1.052 60 K CA 1.053 57.275 56.287 -0.107 0.000 0.948 60 K CB -0.295 32.132 32.500 -0.121 0.000 0.728 60 K HN 0.425 nan 8.250 nan 0.000 0.448 61 G N 0.204 109.030 108.800 0.044 0.000 2.777 61 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.211 61 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.211 61 G C 1.263 176.206 174.900 0.072 0.000 1.149 61 G CA -0.073 45.072 45.100 0.074 0.000 0.785 61 G HN 0.127 nan 8.290 nan 0.000 0.536 62 L N -0.106 121.167 121.223 0.084 0.000 2.202 62 L HA 0.173 4.513 4.340 -0.000 0.000 0.205 62 L C 1.538 178.582 176.870 0.290 0.000 1.083 62 L CA 0.487 55.451 54.840 0.207 0.000 0.790 62 L CB 0.071 42.203 42.059 0.123 0.000 0.942 62 L HN 0.074 nan 8.230 nan 0.000 0.452 63 N N -0.727 118.052 118.700 0.133 0.000 2.273 63 N HA 0.049 4.789 4.740 -0.000 0.000 0.231 63 N C -0.267 175.234 175.510 -0.016 0.000 1.134 63 N CA -0.035 53.057 53.050 0.071 0.000 0.856 63 N CB 0.308 38.810 38.487 0.025 0.000 1.068 63 N HN 0.149 nan 8.380 nan 0.000 0.510 64 C N 1.521 120.819 119.300 -0.003 0.000 2.651 64 C HA 0.102 4.562 4.460 -0.000 0.000 0.410 64 C C 1.839 176.829 174.990 -0.001 0.000 1.372 64 C CA -0.212 58.796 59.018 -0.018 0.000 1.707 64 C CB -0.616 27.123 27.740 -0.002 0.000 2.501 64 C HN 0.471 nan 8.230 nan 0.000 0.598 65 E N 1.995 122.196 120.200 0.001 0.000 2.209 65 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 65 E C 1.989 178.591 176.600 0.003 0.000 0.993 65 E CA 1.632 58.038 56.400 0.009 0.000 0.819 65 E CB 0.028 29.739 29.700 0.018 0.000 0.745 65 E HN 0.871 nan 8.360 nan 0.000 0.477 66 T N -0.390 114.165 114.554 0.001 0.000 2.977 66 T HA 0.062 4.412 4.350 -0.000 0.000 0.271 66 T C 0.450 175.152 174.700 0.004 0.000 1.105 66 T CA 0.900 63.001 62.100 0.001 0.000 1.116 66 T CB -0.081 68.787 68.868 -0.000 0.000 0.878 66 T HN 0.465 nan 8.240 nan 0.000 0.509 67 G N -0.018 108.787 108.800 0.007 0.000 2.381 67 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.672 67 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.672 67 G C -0.895 174.024 174.900 0.032 0.000 1.324 67 G CA -0.979 44.129 45.100 0.014 0.000 0.975 67 G HN 0.280 nan 8.290 nan 0.000 0.593 68 I N 1.658 122.261 120.570 0.054 0.000 2.671 68 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 68 I C 0.945 177.088 176.117 0.044 0.000 1.148 68 I CA 0.958 62.311 61.300 0.088 0.000 1.386 68 I CB 0.525 38.608 38.000 0.138 0.000 1.406 68 I HN 0.621 nan 8.210 nan 0.000 0.540 69 T N 3.995 118.565 114.554 0.027 0.000 2.883 69 T HA 0.561 4.911 4.350 -0.000 0.000 0.301 69 T C 0.479 175.143 174.700 -0.060 0.000 1.158 69 T CA -0.189 61.902 62.100 -0.014 0.000 1.007 69 T CB 1.757 70.620 68.868 -0.009 0.000 1.186 69 T HN 0.527 nan 8.240 nan 0.000 0.499 70 A N 1.480 124.213 122.820 -0.145 0.000 2.238 70 A HA 0.319 4.638 4.320 -0.000 0.000 0.208 70 A C 0.990 178.419 177.584 -0.259 0.000 1.177 70 A CA 0.932 52.749 52.037 -0.366 0.000 0.804 70 A CB -0.399 18.370 19.000 -0.384 0.000 0.823 70 A HN 0.983 nan 8.150 nan 0.000 0.482 71 T N -1.774 112.745 114.554 -0.058 0.000 3.418 71 T HA 0.471 4.821 4.350 -0.000 0.000 0.315 71 T C -3.115 171.612 174.700 0.045 0.000 1.447 71 T CA -1.717 60.404 62.100 0.033 0.000 1.641 71 T CB 0.637 69.506 68.868 0.002 0.000 0.904 71 T HN -0.062 nan 8.240 nan 0.000 0.640 72 P HA 0.047 nan 4.420 nan 0.000 0.263 72 P C 1.621 178.929 177.300 0.012 0.000 1.175 72 P CA -0.366 62.753 63.100 0.032 0.000 0.761 72 P CB 0.342 32.057 31.700 0.024 0.000 0.794 73 C N 1.427 120.726 119.300 -0.002 0.000 2.422 73 C HA 0.127 4.587 4.460 -0.000 0.000 0.279 73 C C 1.937 176.917 174.990 -0.015 0.000 1.305 73 C CA 0.727 59.741 59.018 -0.006 0.000 1.757 73 C CB -1.740 25.995 27.740 -0.008 0.000 1.962 73 C HN 0.769 nan 8.230 nan 0.000 0.499 74 G N 0.212 108.996 108.800 -0.026 0.000 2.179 74 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 74 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 74 G C 0.730 175.609 174.900 -0.036 0.000 0.977 74 G CA 0.987 46.064 45.100 -0.038 0.000 0.641 74 G HN 1.627 nan 8.290 nan 0.000 0.533 75 V N -1.922 117.976 119.914 -0.026 0.000 3.604 75 V HA 0.390 4.509 4.120 -0.000 0.000 0.277 75 V C 1.873 177.961 176.094 -0.011 0.000 1.399 75 V CA 0.452 62.741 62.300 -0.019 0.000 1.034 75 V CB -0.814 31.000 31.823 -0.016 0.000 0.824 75 V HN 1.399 nan 8.190 nan 0.000 0.439 76 C N 1.136 120.429 119.300 -0.011 0.000 2.705 76 C HA 0.315 4.775 4.460 -0.000 0.000 0.382 76 C C 1.641 176.641 174.990 0.017 0.000 1.322 76 C CA 0.419 59.438 59.018 0.002 0.000 2.290 76 C CB 0.498 28.237 27.740 -0.001 0.000 2.650 76 C HN 0.571 nan 8.230 nan 0.000 0.695 77 D N 1.197 121.627 120.400 0.050 0.000 2.312 77 D HA -0.071 4.568 4.640 -0.000 0.000 0.211 77 D C 1.460 177.878 176.300 0.196 0.000 0.964 77 D CA 1.215 55.273 54.000 0.097 0.000 0.877 77 D CB -0.216 40.641 40.800 0.095 0.000 0.924 77 D HN 0.643 nan 8.370 nan 0.000 0.515 78 N N -0.197 118.581 118.700 0.130 0.000 2.207 78 N HA -0.065 4.675 4.740 -0.000 0.000 0.182 78 N C 1.736 177.025 175.510 -0.367 0.000 1.020 78 N CA 0.490 53.531 53.050 -0.016 0.000 0.858 78 N CB -0.333 38.132 38.487 -0.036 0.000 0.991 78 N HN 0.110 nan 8.380 nan 0.000 0.427 79 C N 0.531 119.729 119.300 -0.171 0.000 2.467 79 C HA 0.128 4.587 4.460 -0.000 0.000 0.279 79 C C 2.481 177.400 174.990 -0.119 0.000 1.347 79 C CA 0.207 59.125 59.018 -0.165 0.000 1.748 79 C CB -0.633 27.052 27.740 -0.093 0.000 1.977 79 C HN 0.443 nan 8.230 nan 0.000 0.501 80 R N 0.772 121.242 120.500 -0.048 0.000 2.073 80 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 80 R C 1.908 178.222 176.300 0.023 0.000 1.120 80 R CA 1.226 57.319 56.100 -0.011 0.000 0.967 80 R CB -0.320 29.988 30.300 0.012 0.000 0.862 80 R HN 0.625 nan 8.270 nan 0.000 0.436 81 E N 0.405 120.671 120.200 0.111 0.000 2.285 81 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 81 E C 1.837 178.556 176.600 0.200 0.000 0.997 81 E CA 0.532 57.068 56.400 0.226 0.000 0.845 81 E CB 0.143 30.127 29.700 0.473 0.000 0.782 81 E HN 0.316 nan 8.360 nan 0.000 0.491 82 I N 0.602 121.156 120.570 -0.026 0.000 2.406 82 I HA -0.164 4.006 4.170 -0.000 0.000 0.249 82 I C 2.321 178.391 176.117 -0.079 0.000 1.122 82 I CA 0.693 61.908 61.300 -0.141 0.000 1.431 82 I CB 0.159 37.916 38.000 -0.406 0.000 1.087 82 I HN 0.029 nan 8.210 nan 0.000 0.424 83 E N 1.145 121.298 120.200 -0.078 0.000 2.106 83 E HA -0.237 4.112 4.350 -0.000 0.000 0.192 83 E C 2.102 178.681 176.600 -0.034 0.000 0.984 83 E CA 1.522 57.883 56.400 -0.065 0.000 0.806 83 E CB -0.021 29.640 29.700 -0.064 0.000 0.750 83 E HN 0.420 nan 8.360 nan 0.000 0.458 84 Q N -1.473 118.323 119.800 -0.007 0.000 2.230 84 Q HA 0.064 4.404 4.340 -0.000 0.000 0.202 84 Q C 1.161 177.168 176.000 0.011 0.000 0.963 84 Q CA 0.803 56.609 55.803 0.006 0.000 0.866 84 Q CB 0.241 28.993 28.738 0.023 0.000 0.931 84 Q HN 0.461 nan 8.270 nan 0.000 0.452 85 G N 1.121 109.935 108.800 0.023 0.000 2.176 85 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.253 85 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.253 85 G C 0.425 175.351 174.900 0.044 0.000 0.979 85 G CA 0.228 45.342 45.100 0.023 0.000 0.641 85 G HN 0.175 nan 8.290 nan 0.000 0.530 86 R N -0.173 120.368 120.500 0.068 0.000 3.760 86 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 86 R C -0.882 175.480 176.300 0.103 0.000 1.414 86 R CA -0.621 55.511 56.100 0.053 0.000 1.410 86 R CB -0.586 29.731 30.300 0.029 0.000 1.459 86 R HN 0.156 nan 8.270 nan 0.000 0.663 87 F N 0.599 120.524 119.950 -0.043 0.000 2.375 87 F HA 0.177 4.704 4.527 -0.000 0.000 0.361 87 F C 1.255 177.025 175.800 -0.050 0.000 1.117 87 F CA -0.808 57.167 58.000 -0.041 0.000 1.037 87 F CB 1.295 40.273 39.000 -0.037 0.000 1.192 87 F HN -0.051 nan 8.300 nan 0.000 0.452 88 V N 4.193 123.829 119.914 -0.463 0.000 2.313 88 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 88 V C 0.902 176.885 176.094 -0.185 0.000 1.070 88 V CA 2.534 64.650 62.300 -0.305 0.000 1.057 88 V CB -0.220 31.394 31.823 -0.347 0.000 0.653 88 V HN 0.688 nan 8.190 nan 0.000 0.450 89 D N 0.354 120.667 120.400 -0.144 0.000 3.072 89 D HA 0.285 4.925 4.640 -0.000 0.000 0.250 89 D C -0.164 176.278 176.300 0.237 0.000 1.304 89 D CA 0.016 54.081 54.000 0.110 0.000 0.861 89 D CB 0.866 41.804 40.800 0.231 0.000 1.062 89 D HN 0.392 nan 8.370 nan 0.000 0.481 90 L N 1.060 122.341 121.223 0.096 0.000 2.508 90 L HA 0.262 4.602 4.340 -0.000 0.000 0.276 90 L C -0.730 176.087 176.870 -0.089 0.000 1.456 90 L CA -0.213 54.653 54.840 0.044 0.000 0.693 90 L CB 0.459 42.604 42.059 0.143 0.000 0.965 90 L HN -0.029 nan 8.230 nan 0.000 0.517 91 I N 1.477 121.883 120.570 -0.273 0.000 2.574 91 I HA 0.002 4.172 4.170 -0.000 0.000 0.291 91 I C 0.350 176.327 176.117 -0.233 0.000 1.131 91 I CA 0.555 61.642 61.300 -0.353 0.000 1.352 91 I CB 0.104 37.654 38.000 -0.750 0.000 1.431 91 I HN 0.440 nan 8.210 nan 0.000 0.543 92 E N 7.336 127.474 120.200 -0.104 0.000 2.200 92 E HA 0.515 4.865 4.350 -0.000 0.000 0.283 92 E C -0.571 176.023 176.600 -0.009 0.000 1.015 92 E CA -0.408 55.971 56.400 -0.035 0.000 0.819 92 E CB 1.737 31.425 29.700 -0.020 0.000 1.081 92 E HN 0.483 nan 8.360 nan 0.000 0.397 93 I N 2.147 122.739 120.570 0.036 0.000 2.509 93 I HA 0.211 4.381 4.170 -0.000 0.000 0.293 93 I C -0.539 175.608 176.117 0.050 0.000 1.020 93 I CA -0.832 60.499 61.300 0.051 0.000 1.088 93 I CB 1.863 39.922 38.000 0.098 0.000 1.267 93 I HN 0.375 nan 8.210 nan 0.000 0.430 94 D N 4.659 125.076 120.400 0.029 0.000 2.414 94 D HA 0.430 5.070 4.640 -0.000 0.000 0.232 94 D C 0.353 176.655 176.300 0.003 0.000 1.070 94 D CA -0.322 53.691 54.000 0.021 0.000 0.839 94 D CB 2.087 42.895 40.800 0.012 0.000 1.079 94 D HN 0.643 nan 8.370 nan 0.000 0.521 95 A N 2.937 125.754 122.820 -0.006 0.000 2.251 95 A HA 0.341 4.661 4.320 -0.000 0.000 0.209 95 A C 1.545 179.082 177.584 -0.079 0.000 1.187 95 A CA 0.813 52.817 52.037 -0.054 0.000 0.823 95 A CB 0.131 19.084 19.000 -0.077 0.000 0.846 95 A HN 0.526 nan 8.150 nan 0.000 0.486 96 A N -0.788 122.006 122.820 -0.044 0.000 2.063 96 A HA 0.348 4.668 4.320 -0.000 0.000 0.211 96 A C 1.331 178.899 177.584 -0.027 0.000 1.177 96 A CA 0.384 52.396 52.037 -0.041 0.000 0.759 96 A CB -0.210 18.787 19.000 -0.005 0.000 0.857 96 A HN 0.305 nan 8.150 nan 0.000 0.468 97 S N -0.235 115.455 115.700 -0.017 0.000 2.572 97 S HA 0.230 4.700 4.470 -0.000 0.000 0.279 97 S C 1.119 175.709 174.600 -0.017 0.000 1.341 97 S CA -0.224 57.969 58.200 -0.012 0.000 1.043 97 S CB 0.860 64.056 63.200 -0.006 0.000 0.887 97 S HN 0.501 nan 8.310 nan 0.000 0.516 98 R N 0.922 121.415 120.500 -0.012 0.000 2.128 98 R HA 0.032 4.372 4.340 -0.000 0.000 0.211 98 R C 2.182 178.477 176.300 -0.009 0.000 1.067 98 R CA 0.822 56.916 56.100 -0.011 0.000 1.010 98 R CB -0.490 29.806 30.300 -0.007 0.000 0.922 98 R HN 0.553 nan 8.270 nan 0.000 0.457 99 T N 1.384 115.934 114.554 -0.006 0.000 2.777 99 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 99 T C 1.093 175.789 174.700 -0.005 0.000 1.040 99 T CA 1.187 63.284 62.100 -0.005 0.000 1.141 99 T CB 0.028 68.894 68.868 -0.003 0.000 0.868 99 T HN 0.136 nan 8.240 nan 0.000 0.444 100 K N 2.386 122.783 120.400 -0.005 0.000 2.862 100 K HA 0.194 4.513 4.320 -0.000 0.000 0.229 100 K C 1.640 178.237 176.600 -0.006 0.000 1.107 100 K CA -0.123 56.162 56.287 -0.004 0.000 1.222 100 K CB 0.091 32.590 32.500 -0.002 0.000 1.067 100 K HN 0.287 nan 8.250 nan 0.000 0.464 101 V N -2.405 117.504 119.914 -0.010 0.000 2.759 101 V HA -0.191 3.929 4.120 -0.000 0.000 0.256 101 V C 1.876 177.964 176.094 -0.010 0.000 1.080 101 V CA 1.514 63.805 62.300 -0.014 0.000 1.101 101 V CB -0.346 31.468 31.823 -0.015 0.000 0.698 101 V HN 0.392 nan 8.190 nan 0.000 0.477 102 E N 0.195 120.391 120.200 -0.007 0.000 2.127 102 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 102 E C 1.653 178.255 176.600 0.003 0.000 0.964 102 E CA 0.718 57.115 56.400 -0.005 0.000 0.832 102 E CB 0.046 29.743 29.700 -0.006 0.000 0.790 102 E HN 0.594 nan 8.360 nan 0.000 0.465 103 D N 0.058 120.461 120.400 0.005 0.000 2.371 103 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 103 D C 1.133 177.447 176.300 0.024 0.000 0.986 103 D CA 0.754 54.762 54.000 0.013 0.000 0.899 103 D CB 0.378 41.183 40.800 0.007 0.000 0.902 103 D HN 0.151 nan 8.370 nan 0.000 0.530 104 T N -0.212 114.353 114.554 0.018 0.000 3.040 104 T HA 0.010 4.360 4.350 -0.000 0.000 0.252 104 T C 1.877 176.593 174.700 0.027 0.000 1.064 104 T CA 0.058 62.173 62.100 0.026 0.000 1.110 104 T CB 0.789 69.659 68.868 0.004 0.000 0.921 104 T HN 0.075 nan 8.240 nan 0.000 0.480 105 R N 0.883 121.391 120.500 0.014 0.000 2.140 105 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 105 R C 1.348 177.663 176.300 0.025 0.000 1.059 105 R CA 1.030 57.137 56.100 0.011 0.000 1.000 105 R CB 0.141 30.436 30.300 -0.009 0.000 0.910 105 R HN 0.188 nan 8.270 nan 0.000 0.455 106 D N 0.508 120.926 120.400 0.030 0.000 2.216 106 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 106 D C 1.844 178.187 176.300 0.071 0.000 0.960 106 D CA 0.615 54.639 54.000 0.040 0.000 0.861 106 D CB 0.126 40.943 40.800 0.028 0.000 0.985 106 D HN 0.229 nan 8.370 nan 0.000 0.493 107 L N 0.637 121.913 121.223 0.088 0.000 2.353 107 L HA -0.097 4.243 4.340 -0.000 0.000 0.220 107 L C 2.121 179.117 176.870 0.209 0.000 1.133 107 L CA 0.536 55.464 54.840 0.145 0.000 0.798 107 L CB -0.017 42.128 42.059 0.143 0.000 0.922 107 L HN 0.015 nan 8.230 nan 0.000 0.445 108 L N -1.729 119.582 121.223 0.148 0.000 2.470 108 L HA 0.023 4.363 4.340 -0.000 0.000 0.219 108 L C 1.531 178.448 176.870 0.080 0.000 1.071 108 L CA 0.127 55.041 54.840 0.123 0.000 0.850 108 L CB -0.173 41.949 42.059 0.105 0.000 1.040 108 L HN 0.115 nan 8.230 nan 0.000 0.475 109 D N 0.350 120.793 120.400 0.073 0.000 2.363 109 D HA -0.040 4.600 4.640 -0.000 0.000 0.220 109 D C 0.492 176.840 176.300 0.080 0.000 0.994 109 D CA 0.772 54.810 54.000 0.064 0.000 0.890 109 D CB 0.117 40.944 40.800 0.045 0.000 0.906 109 D HN 0.212 nan 8.370 nan 0.000 0.530 110 N N 0.675 119.431 118.700 0.093 0.000 2.679 110 N HA 0.094 4.834 4.740 -0.000 0.000 0.302 110 N C -0.678 174.904 175.510 0.121 0.000 1.941 110 N CA -0.093 53.025 53.050 0.113 0.000 0.875 110 N CB 1.917 40.464 38.487 0.099 0.000 1.278 110 N HN -0.148 nan 8.380 nan 0.000 0.490 111 V N 1.368 121.317 119.914 0.059 0.000 2.763 111 V HA -0.047 4.073 4.120 -0.000 0.000 0.306 111 V C 0.791 176.865 176.094 -0.034 0.000 1.059 111 V CA 0.237 62.495 62.300 -0.071 0.000 1.138 111 V CB 0.712 32.328 31.823 -0.345 0.000 0.940 111 V HN 0.290 nan 8.190 nan 0.000 0.489 112 Q N 3.425 123.260 119.800 0.059 0.000 2.398 112 Q HA 0.287 4.627 4.340 -0.000 0.000 0.251 112 Q C -0.357 175.705 176.000 0.104 0.000 0.999 112 Q CA -0.368 55.526 55.803 0.152 0.000 0.874 112 Q CB 0.727 29.569 28.738 0.174 0.000 1.215 112 Q HN 0.751 nan 8.270 nan 0.000 0.470 113 Y N 0.745 121.114 120.300 0.115 0.000 2.314 113 Y HA -0.019 4.530 4.550 -0.000 0.000 0.293 113 Y C 1.137 177.137 175.900 0.167 0.000 1.129 113 Y CA 0.384 58.564 58.100 0.134 0.000 1.201 113 Y CB 0.320 38.849 38.460 0.116 0.000 0.999 113 Y HN 0.528 nan 8.280 nan 0.000 0.541 114 A N 0.985 123.967 122.820 0.270 0.000 2.260 114 A HA 0.514 4.834 4.320 -0.000 0.000 0.314 114 A C -2.478 175.164 177.584 0.097 0.000 1.257 114 A CA -1.734 50.391 52.037 0.147 0.000 0.871 114 A CB -0.038 19.014 19.000 0.087 0.000 1.166 114 A HN -0.043 nan 8.150 nan 0.000 0.522 115 P HA 0.218 nan 4.420 nan 0.000 0.266 115 P C 0.747 178.050 177.300 0.005 0.000 1.195 115 P CA 0.412 63.544 63.100 0.053 0.000 0.768 115 P CB 1.156 32.875 31.700 0.032 0.000 0.838 116 A N 3.028 125.843 122.820 -0.009 0.000 1.911 116 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 116 A C 1.982 179.523 177.584 -0.071 0.000 1.189 116 A CA 1.423 53.431 52.037 -0.048 0.000 0.639 116 A CB -0.316 18.638 19.000 -0.076 0.000 0.839 116 A HN 0.443 nan 8.150 nan 0.000 0.449 117 R N -1.278 119.174 120.500 -0.080 0.000 2.450 117 R HA 0.363 4.703 4.340 -0.000 0.000 0.149 117 R C 1.460 177.772 176.300 0.020 0.000 1.895 117 R CA 0.776 56.833 56.100 -0.070 0.000 1.488 117 R CB -0.834 29.343 30.300 -0.204 0.000 1.316 117 R HN 0.345 nan 8.270 nan 0.000 0.474 118 G N 0.562 109.446 108.800 0.139 0.000 2.527 118 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.279 118 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.279 118 G C 0.269 175.176 174.900 0.011 0.000 1.374 118 G CA 0.349 45.533 45.100 0.141 0.000 1.053 118 G HN 0.529 nan 8.290 nan 0.000 0.539 119 R N -1.898 118.544 120.500 -0.096 0.000 2.193 119 R HA 0.172 4.512 4.340 -0.000 0.000 0.213 119 R C -0.279 175.757 176.300 -0.440 0.000 1.055 119 R CA 0.515 56.408 56.100 -0.344 0.000 0.995 119 R CB -0.048 29.909 30.300 -0.573 0.000 0.893 119 R HN 0.207 nan 8.270 nan 0.000 0.459 120 F N 0.466 120.486 119.950 0.116 0.000 2.561 120 F HA 0.422 4.949 4.527 -0.000 0.000 0.321 120 F C 0.313 176.188 175.800 0.126 0.000 1.065 120 F CA -1.608 56.468 58.000 0.127 0.000 0.934 120 F CB 1.825 40.886 39.000 0.101 0.000 1.215 120 F HN -0.308 nan 8.300 nan 0.000 0.471 121 K N 2.733 123.351 120.400 0.362 0.000 2.598 121 K HA 0.339 4.659 4.320 -0.000 0.000 0.226 121 K C -0.970 175.767 176.600 0.229 0.000 1.156 121 K CA -0.211 56.222 56.287 0.245 0.000 1.122 121 K CB 0.040 32.681 32.500 0.234 0.000 1.739 121 K HN 0.441 nan 8.250 nan 0.000 0.472 122 V N 3.068 123.087 119.914 0.175 0.000 2.740 122 V HA 0.033 4.153 4.120 -0.000 0.000 0.303 122 V C -0.033 176.115 176.094 0.090 0.000 1.054 122 V CA 0.140 62.501 62.300 0.102 0.000 1.106 122 V CB 0.016 31.870 31.823 0.052 0.000 0.957 122 V HN 0.301 nan 8.190 nan 0.000 0.486 123 Y N 3.742 123.938 120.300 -0.173 0.000 2.485 123 Y HA 0.675 5.224 4.550 -0.000 0.000 0.345 123 Y C -0.117 175.790 175.900 0.013 0.000 0.998 123 Y CA -1.247 56.790 58.100 -0.105 0.000 1.059 123 Y CB 1.872 40.201 38.460 -0.218 0.000 1.234 123 Y HN 0.343 nan 8.280 nan 0.000 0.461 124 L N 5.635 126.959 121.223 0.169 0.000 2.518 124 L HA 0.503 4.842 4.340 -0.000 0.000 0.262 124 L C -1.631 175.328 176.870 0.150 0.000 0.982 124 L CA -0.312 54.616 54.840 0.147 0.000 0.873 124 L CB 0.759 42.853 42.059 0.059 0.000 1.198 124 L HN 0.654 nan 8.230 nan 0.000 0.427 125 I N 3.713 124.402 120.570 0.198 0.000 2.307 125 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 125 I C 0.013 176.215 176.117 0.141 0.000 1.054 125 I CA -0.565 60.835 61.300 0.166 0.000 1.218 125 I CB 1.123 39.239 38.000 0.193 0.000 1.398 125 I HN 0.446 nan 8.210 nan 0.000 0.475 126 D N 6.376 126.838 120.400 0.104 0.000 2.414 126 D HA 0.009 4.649 4.640 -0.000 0.000 0.242 126 D C 0.559 176.930 176.300 0.117 0.000 1.129 126 D CA 0.693 54.753 54.000 0.100 0.000 0.885 126 D CB 0.628 41.468 40.800 0.067 0.000 1.198 126 D HN 0.376 nan 8.370 nan 0.000 0.437 127 E N 0.995 121.297 120.200 0.170 0.000 2.269 127 E HA -0.188 4.162 4.350 -0.000 0.000 0.223 127 E C 0.933 177.679 176.600 0.243 0.000 1.244 127 E CA 0.159 56.730 56.400 0.285 0.000 0.713 127 E CB -1.513 28.312 29.700 0.209 0.000 1.178 127 E HN 0.342 nan 8.360 nan 0.000 0.370 128 V N 1.337 121.399 119.914 0.246 0.000 3.099 128 V HA -0.274 3.846 4.120 -0.000 0.000 0.269 128 V C 2.231 178.479 176.094 0.257 0.000 1.150 128 V CA 2.469 64.890 62.300 0.201 0.000 1.165 128 V CB -0.579 31.369 31.823 0.209 0.000 0.756 128 V HN 0.573 nan 8.190 nan 0.000 0.527 129 H N -1.835 117.327 119.070 0.153 0.000 2.551 129 H HA 0.111 4.667 4.556 -0.000 0.000 0.266 129 H C 1.512 176.947 175.328 0.178 0.000 0.977 129 H CA 0.444 56.630 56.048 0.230 0.000 1.163 129 H CB -0.344 29.507 29.762 0.148 0.000 1.381 129 H HN 0.443 nan 8.280 nan 0.000 0.581 130 M N 1.267 120.595 119.600 -0.452 0.000 2.505 130 M HA 0.237 4.717 4.480 -0.000 0.000 0.230 130 M C 0.384 176.493 176.300 -0.318 0.000 1.153 130 M CA -0.076 54.973 55.300 -0.418 0.000 0.997 130 M CB -0.180 32.167 32.600 -0.422 0.000 1.606 130 M HN 0.120 nan 8.290 nan 0.000 0.481 131 L N 0.846 121.792 121.223 -0.462 0.000 2.466 131 L HA 0.175 4.515 4.340 -0.000 0.000 0.257 131 L C 1.048 177.459 176.870 -0.764 0.000 1.189 131 L CA -0.438 54.028 54.840 -0.623 0.000 0.813 131 L CB 0.746 42.372 42.059 -0.722 0.000 1.118 131 L HN 0.243 nan 8.230 nan 0.000 0.471 132 S N 0.860 116.282 115.700 -0.463 0.000 2.584 132 S HA 0.211 4.681 4.470 -0.000 0.000 0.273 132 S C 1.087 175.515 174.600 -0.286 0.000 1.311 132 S CA -0.873 57.165 58.200 -0.269 0.000 1.034 132 S CB 1.306 64.477 63.200 -0.049 0.000 0.939 132 S HN 0.508 nan 8.310 nan 0.000 0.513 133 R N 1.552 121.965 120.500 -0.145 0.000 2.174 133 R HA -0.167 4.173 4.340 -0.000 0.000 0.253 133 R C 1.729 177.995 176.300 -0.056 0.000 1.165 133 R CA 1.924 58.021 56.100 -0.006 0.000 0.984 133 R CB -1.590 28.631 30.300 -0.132 0.000 0.873 133 R HN 0.783 nan 8.270 nan 0.000 0.456 134 H N 0.095 119.171 119.070 0.009 0.000 2.261 134 H HA 0.086 4.642 4.556 -0.000 0.000 0.301 134 H C 2.159 177.487 175.328 0.001 0.000 1.067 134 H CA 1.550 57.603 56.048 0.009 0.000 1.297 134 H CB -0.351 29.404 29.762 -0.011 0.000 1.377 134 H HN 0.105 nan 8.280 nan 0.000 0.492 135 S N 0.801 116.541 115.700 0.066 0.000 2.419 135 S HA -0.127 4.342 4.470 -0.000 0.000 0.235 135 S C 1.907 176.520 174.600 0.021 0.000 1.019 135 S CA 0.809 59.004 58.200 -0.008 0.000 0.982 135 S CB -0.324 62.816 63.200 -0.100 0.000 0.789 135 S HN 0.139 nan 8.310 nan 0.000 0.490 136 F N 2.688 122.644 119.950 0.010 0.000 2.014 136 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 136 F C 2.301 178.085 175.800 -0.028 0.000 1.145 136 F CA 0.763 58.753 58.000 -0.018 0.000 1.178 136 F CB -1.189 37.796 39.000 -0.026 0.000 0.972 136 F HN 0.190 nan 8.300 nan 0.000 0.476 137 N N 0.392 119.221 118.700 0.216 0.000 2.322 137 N HA -0.202 4.538 4.740 -0.000 0.000 0.189 137 N C 1.807 177.357 175.510 0.066 0.000 1.012 137 N CA 1.223 54.333 53.050 0.100 0.000 0.880 137 N CB -0.432 38.106 38.487 0.085 0.000 0.967 137 N HN 0.296 nan 8.380 nan 0.000 0.439 138 A N 1.040 123.905 122.820 0.076 0.000 1.872 138 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 138 A C 2.175 179.754 177.584 -0.009 0.000 1.187 138 A CA 0.712 52.774 52.037 0.042 0.000 0.614 138 A CB -0.546 18.485 19.000 0.051 0.000 0.826 138 A HN 0.186 nan 8.150 nan 0.000 0.442 139 L N -0.502 120.708 121.223 -0.022 0.000 2.291 139 L HA 0.064 4.404 4.340 -0.000 0.000 0.214 139 L C 2.023 178.790 176.870 -0.172 0.000 1.120 139 L CA 1.089 55.839 54.840 -0.150 0.000 0.799 139 L CB -0.377 41.615 42.059 -0.112 0.000 0.925 139 L HN 0.472 nan 8.230 nan 0.000 0.446 140 L N -0.751 120.432 121.223 -0.067 0.000 2.023 140 L HA -0.194 4.146 4.340 -0.000 0.000 0.205 140 L C 2.477 179.307 176.870 -0.066 0.000 1.073 140 L CA 1.390 56.190 54.840 -0.067 0.000 0.745 140 L CB -0.269 41.773 42.059 -0.029 0.000 0.900 140 L HN 0.274 nan 8.230 nan 0.000 0.435 141 K N -0.999 119.379 120.400 -0.036 0.000 2.280 141 K HA -0.158 4.162 4.320 -0.000 0.000 0.202 141 K C 1.640 178.222 176.600 -0.030 0.000 1.047 141 K CA 1.731 58.007 56.287 -0.019 0.000 0.942 141 K CB 0.100 32.605 32.500 0.009 0.000 0.739 141 K HN 0.356 nan 8.250 nan 0.000 0.457 142 T N 1.334 115.843 114.554 -0.076 0.000 2.939 142 T HA -0.028 4.321 4.350 -0.000 0.000 0.254 142 T C 1.566 176.198 174.700 -0.114 0.000 1.041 142 T CA 0.972 63.020 62.100 -0.086 0.000 1.142 142 T CB -0.005 68.775 68.868 -0.147 0.000 0.874 142 T HN 0.373 nan 8.240 nan 0.000 0.452 143 L N -0.050 121.057 121.223 -0.194 0.000 2.395 143 L HA 0.283 4.622 4.340 -0.000 0.000 0.218 143 L C 2.120 178.942 176.870 -0.081 0.000 1.130 143 L CA 1.313 56.063 54.840 -0.150 0.000 0.826 143 L CB -0.408 41.532 42.059 -0.198 0.000 0.941 143 L HN 0.157 nan 8.230 nan 0.000 0.451 144 E N 0.817 120.975 120.200 -0.070 0.000 2.152 144 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 144 E C -0.032 176.543 176.600 -0.042 0.000 0.983 144 E CA 0.927 57.299 56.400 -0.046 0.000 0.818 144 E CB 0.315 29.994 29.700 -0.035 0.000 0.758 144 E HN 0.575 nan 8.360 nan 0.000 0.467 145 E N 0.222 120.399 120.200 -0.038 0.000 3.303 145 E HA 0.172 4.522 4.350 -0.000 0.000 0.215 145 E C -2.595 173.981 176.600 -0.040 0.000 1.181 145 E CA -1.777 54.606 56.400 -0.029 0.000 0.998 145 E CB 1.440 31.147 29.700 0.013 0.000 1.312 145 E HN -0.020 nan 8.360 nan 0.000 0.412 146 P HA -0.009 nan 4.420 nan 0.000 0.252 146 P C -2.419 174.802 177.300 -0.132 0.000 1.183 146 P CA -0.716 62.276 63.100 -0.180 0.000 0.973 146 P CB -0.213 31.144 31.700 -0.571 0.000 0.990 147 P HA 0.048 nan 4.420 nan 0.000 0.271 147 P C 0.142 177.469 177.300 0.045 0.000 1.233 147 P CA 0.054 63.209 63.100 0.092 0.000 0.764 147 P CB 0.382 32.130 31.700 0.080 0.000 0.825 148 E N 3.398 123.585 120.200 -0.021 0.000 2.425 148 E HA -0.094 4.255 4.350 -0.000 0.000 0.258 148 E C 0.618 177.132 176.600 -0.142 0.000 1.151 148 E CA 0.463 56.769 56.400 -0.157 0.000 0.958 148 E CB -0.047 29.397 29.700 -0.427 0.000 0.968 148 E HN 0.518 nan 8.360 nan 0.000 0.451 149 H N -0.707 118.556 119.070 0.322 0.000 3.631 149 H HA -0.143 4.413 4.556 -0.000 0.000 0.202 149 H C -0.741 174.762 175.328 0.291 0.000 1.029 149 H CA 0.986 57.248 56.048 0.356 0.000 1.208 149 H CB -2.190 27.697 29.762 0.209 0.000 1.124 149 H HN 0.149 nan 8.280 nan 0.000 0.329 150 V N 1.974 122.023 119.914 0.226 0.000 2.419 150 V HA 0.327 4.447 4.120 -0.000 0.000 0.287 150 V C 0.299 176.354 176.094 -0.065 0.000 1.017 150 V CA -0.858 61.454 62.300 0.021 0.000 0.844 150 V CB 2.274 34.020 31.823 -0.129 0.000 1.011 150 V HN 0.007 nan 8.190 nan 0.000 0.429 151 K N 3.295 123.619 120.400 -0.126 0.000 2.123 151 K HA 0.695 5.015 4.320 -0.000 0.000 0.248 151 K C -1.180 175.264 176.600 -0.260 0.000 0.969 151 K CA -0.544 55.685 56.287 -0.097 0.000 0.882 151 K CB 2.195 34.604 32.500 -0.153 0.000 1.080 151 K HN 0.394 nan 8.250 nan 0.000 0.441 152 F N 1.572 121.600 119.950 0.129 0.000 2.499 152 F HA 0.370 4.897 4.527 -0.000 0.000 0.333 152 F C -0.155 175.767 175.800 0.205 0.000 1.138 152 F CA -0.638 57.452 58.000 0.150 0.000 0.945 152 F CB 1.087 40.149 39.000 0.103 0.000 1.181 152 F HN 0.044 nan 8.300 nan 0.000 0.435 153 L N 5.772 127.198 121.223 0.338 0.000 2.277 153 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 153 L C -0.654 176.426 176.870 0.349 0.000 1.028 153 L CA -0.384 54.655 54.840 0.332 0.000 0.835 153 L CB 0.825 42.997 42.059 0.188 0.000 1.215 153 L HN 0.487 nan 8.230 nan 0.000 0.425 154 L N 2.991 124.442 121.223 0.380 0.000 2.344 154 L HA 0.877 5.216 4.340 -0.000 0.000 0.272 154 L C 0.115 177.191 176.870 0.344 0.000 1.035 154 L CA -0.552 54.472 54.840 0.307 0.000 0.807 154 L CB 1.859 44.057 42.059 0.231 0.000 1.237 154 L HN 0.649 nan 8.230 nan 0.000 0.442 155 A N 1.089 124.062 122.820 0.256 0.000 2.455 155 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 155 A C -0.720 176.969 177.584 0.175 0.000 1.040 155 A CA -0.438 51.738 52.037 0.232 0.000 0.697 155 A CB 2.166 21.270 19.000 0.174 0.000 1.265 155 A HN 0.611 nan 8.150 nan 0.000 0.407 156 T N -0.437 114.193 114.554 0.126 0.000 2.885 156 T HA 0.554 4.904 4.350 -0.000 0.000 0.322 156 T C 0.138 174.823 174.700 -0.025 0.000 1.387 156 T CA 0.459 62.599 62.100 0.065 0.000 1.041 156 T CB 1.370 70.258 68.868 0.033 0.000 1.287 156 T HN 1.453 nan 8.240 nan 0.000 0.491 157 T N -0.041 114.449 114.554 -0.106 0.000 3.215 157 T HA 0.430 4.780 4.350 -0.000 0.000 0.271 157 T C 0.027 174.617 174.700 -0.184 0.000 1.012 157 T CA 0.256 62.295 62.100 -0.102 0.000 0.899 157 T CB -0.689 68.153 68.868 -0.042 0.000 1.089 157 T HN 0.754 nan 8.240 nan 0.000 0.552 158 D N -0.238 120.004 120.400 -0.264 0.000 3.491 158 D HA 0.192 4.831 4.640 -0.000 0.000 0.240 158 D C -2.785 173.402 176.300 -0.188 0.000 1.487 158 D CA -0.760 53.097 54.000 -0.238 0.000 0.936 158 D CB 0.461 41.081 40.800 -0.300 0.000 1.451 158 D HN -0.097 nan 8.370 nan 0.000 0.678 159 P HA -0.086 nan 4.420 nan 0.000 0.242 159 P C 0.834 178.106 177.300 -0.046 0.000 1.198 159 P CA 0.686 63.745 63.100 -0.068 0.000 0.756 159 P CB 0.201 31.852 31.700 -0.082 0.000 0.911 160 Q N -0.134 119.639 119.800 -0.045 0.000 2.339 160 Q HA 0.004 4.344 4.340 -0.000 0.000 0.205 160 Q C 1.418 177.409 176.000 -0.014 0.000 0.925 160 Q CA 0.604 56.391 55.803 -0.027 0.000 0.898 160 Q CB 0.077 28.805 28.738 -0.017 0.000 1.013 160 Q HN -0.073 nan 8.270 nan 0.000 0.504 161 K N 0.348 120.754 120.400 0.010 0.000 2.487 161 K HA 0.136 4.455 4.320 -0.000 0.000 0.192 161 K C -0.040 176.591 176.600 0.051 0.000 1.027 161 K CA 0.220 56.545 56.287 0.063 0.000 1.054 161 K CB 0.132 32.731 32.500 0.164 0.000 0.824 161 K HN 0.283 nan 8.250 nan 0.000 0.510 162 L N 2.093 123.314 121.223 -0.003 0.000 2.334 162 L HA 0.252 4.592 4.340 -0.000 0.000 0.277 162 L C -2.117 174.642 176.870 -0.185 0.000 1.075 162 L CA -2.111 52.671 54.840 -0.096 0.000 0.804 162 L CB 0.846 42.885 42.059 -0.033 0.000 1.174 162 L HN -0.178 nan 8.230 nan 0.000 0.438 163 P HA -0.038 nan 4.420 nan 0.000 0.269 163 P C 0.839 178.034 177.300 -0.175 0.000 1.209 163 P CA -0.382 62.557 63.100 -0.269 0.000 0.776 163 P CB 0.732 32.205 31.700 -0.379 0.000 0.876 164 V N 0.825 120.664 119.914 -0.125 0.000 2.343 164 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 164 V C 1.933 177.971 176.094 -0.094 0.000 1.051 164 V CA 2.506 64.749 62.300 -0.094 0.000 1.036 164 V CB -2.449 29.330 31.823 -0.074 0.000 0.654 164 V HN 0.696 nan 8.190 nan 0.000 0.451 165 T N 0.035 114.528 114.554 -0.101 0.000 2.624 165 T HA -0.298 4.051 4.350 -0.000 0.000 0.268 165 T C 1.897 176.544 174.700 -0.090 0.000 1.041 165 T CA 2.526 64.573 62.100 -0.089 0.000 1.159 165 T CB -0.962 67.851 68.868 -0.090 0.000 0.863 165 T HN 0.522 nan 8.240 nan 0.000 0.434 166 I N 1.033 121.536 120.570 -0.111 0.000 2.202 166 I HA -0.015 4.155 4.170 -0.000 0.000 0.242 166 I C 2.673 178.743 176.117 -0.078 0.000 1.091 166 I CA 1.156 62.399 61.300 -0.095 0.000 1.368 166 I CB -0.447 37.494 38.000 -0.099 0.000 1.058 166 I HN 0.208 nan 8.210 nan 0.000 0.410 167 L N 0.203 121.376 121.223 -0.083 0.000 2.261 167 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 167 L C 2.670 179.494 176.870 -0.077 0.000 1.114 167 L CA 1.458 56.253 54.840 -0.075 0.000 0.777 167 L CB -0.192 41.822 42.059 -0.075 0.000 0.910 167 L HN 0.246 nan 8.230 nan 0.000 0.440 168 S N 0.111 115.767 115.700 -0.073 0.000 2.368 168 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 168 S C 1.690 176.256 174.600 -0.057 0.000 1.029 168 S CA 1.004 59.165 58.200 -0.064 0.000 0.988 168 S CB -0.159 63.006 63.200 -0.059 0.000 0.838 168 S HN 0.486 nan 8.310 nan 0.000 0.462 169 R N -0.014 120.453 120.500 -0.053 0.000 2.555 169 R HA 0.403 4.743 4.340 -0.000 0.000 0.272 169 R C -0.064 176.218 176.300 -0.029 0.000 1.089 169 R CA -0.050 56.030 56.100 -0.035 0.000 1.126 169 R CB -0.391 29.888 30.300 -0.034 0.000 1.250 169 R HN 0.332 nan 8.270 nan 0.000 0.551 170 C N -0.724 118.539 119.300 -0.062 0.000 3.108 170 C HA 0.642 5.102 4.460 -0.000 0.000 0.321 170 C C -1.403 173.478 174.990 -0.182 0.000 1.357 170 C CA -1.166 57.799 59.018 -0.088 0.000 1.562 170 C CB 1.219 28.917 27.740 -0.070 0.000 2.003 170 C HN 0.402 nan 8.230 nan 0.000 0.460 171 L N 3.097 124.136 121.223 -0.307 0.000 2.366 171 L HA 0.456 4.795 4.340 -0.000 0.000 0.266 171 L C -0.204 176.309 176.870 -0.595 0.000 1.010 171 L CA 0.348 54.887 54.840 -0.501 0.000 0.879 171 L CB 0.890 42.505 42.059 -0.740 0.000 1.228 171 L HN 0.756 nan 8.230 nan 0.000 0.439 172 Q N 3.418 122.904 119.800 -0.523 0.000 2.373 172 Q HA 0.407 4.747 4.340 -0.000 0.000 0.255 172 Q C -1.334 174.224 176.000 -0.736 0.000 0.980 172 Q CA 0.637 56.164 55.803 -0.459 0.000 0.882 172 Q CB 1.019 29.603 28.738 -0.257 0.000 1.249 172 Q HN 0.471 nan 8.270 nan 0.000 0.438 173 F N 0.876 120.691 119.950 -0.224 0.000 2.716 173 F HA 0.155 4.682 4.527 -0.001 0.000 0.354 173 F C -0.317 175.513 175.800 0.050 0.000 1.168 173 F CA -0.694 57.244 58.000 -0.102 0.000 1.045 173 F CB 1.078 39.950 39.000 -0.213 0.000 1.311 173 F HN 0.524 nan 8.300 nan 0.000 0.477 174 H N 4.426 123.622 119.070 0.210 0.000 2.878 174 H HA 0.330 4.886 4.556 0.000 0.000 0.290 174 H C -0.788 174.736 175.328 0.327 0.000 1.065 174 H CA 0.021 56.194 56.048 0.210 0.000 1.477 174 H CB 0.885 30.728 29.762 0.134 0.000 1.484 174 H HN 0.431 nan 8.280 nan 0.000 0.504 175 L N 5.407 126.865 121.223 0.391 0.000 2.312 175 L HA 0.242 4.582 4.340 -0.000 0.000 0.281 175 L C 0.613 177.679 176.870 0.327 0.000 1.070 175 L CA -0.221 54.824 54.840 0.342 0.000 0.805 175 L CB 0.993 43.180 42.059 0.214 0.000 1.174 175 L HN 0.483 nan 8.230 nan 0.000 0.434 176 K N 1.733 122.298 120.400 0.276 0.000 2.087 176 K HA 0.737 5.057 4.320 -0.000 0.000 0.255 176 K C 0.074 176.746 176.600 0.121 0.000 0.988 176 K CA -0.787 55.600 56.287 0.167 0.000 0.915 176 K CB 1.058 33.617 32.500 0.098 0.000 1.043 176 K HN 0.669 nan 8.250 nan 0.000 0.457 177 A N 1.953 124.824 122.820 0.084 0.000 2.275 177 A HA 0.218 4.537 4.320 -0.000 0.000 0.276 177 A C -0.236 177.377 177.584 0.049 0.000 1.232 177 A CA 0.010 52.083 52.037 0.060 0.000 0.814 177 A CB 0.033 19.059 19.000 0.043 0.000 1.145 177 A HN 0.425 nan 8.150 nan 0.000 0.508 178 L N -0.034 121.209 121.223 0.034 0.000 2.322 178 L HA 0.384 4.724 4.340 -0.000 0.000 0.269 178 L C 0.282 177.163 176.870 0.018 0.000 1.012 178 L CA -0.391 54.464 54.840 0.026 0.000 0.815 178 L CB 1.126 43.196 42.059 0.018 0.000 1.295 178 L HN 0.762 nan 8.230 nan 0.000 0.438 179 D N 0.187 120.596 120.400 0.015 0.000 2.362 179 D HA 0.073 4.713 4.640 -0.000 0.000 0.242 179 D C 1.010 177.318 176.300 0.013 0.000 1.132 179 D CA -0.136 53.871 54.000 0.012 0.000 0.907 179 D CB 2.110 42.915 40.800 0.009 0.000 1.195 179 D HN 0.208 nan 8.370 nan 0.000 0.429 180 V N 2.714 122.636 119.914 0.012 0.000 2.626 180 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 180 V C 2.111 178.218 176.094 0.021 0.000 1.067 180 V CA 1.715 64.023 62.300 0.012 0.000 1.081 180 V CB -0.357 31.472 31.823 0.010 0.000 0.686 180 V HN 0.556 nan 8.190 nan 0.000 0.468 181 E N -0.049 120.167 120.200 0.027 0.000 2.318 181 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 181 E C 2.117 178.753 176.600 0.061 0.000 0.998 181 E CA 0.852 57.281 56.400 0.048 0.000 0.859 181 E CB -0.143 29.583 29.700 0.043 0.000 0.812 181 E HN 0.601 nan 8.360 nan 0.000 0.492 182 Q N -0.453 119.365 119.800 0.030 0.000 2.435 182 Q HA 0.070 4.410 4.340 -0.000 0.000 0.207 182 Q C 1.571 177.587 176.000 0.027 0.000 0.956 182 Q CA 0.732 56.544 55.803 0.016 0.000 0.917 182 Q CB 0.278 29.017 28.738 0.002 0.000 0.997 182 Q HN 0.415 nan 8.270 nan 0.000 0.497 183 I N -0.677 119.910 120.570 0.028 0.000 2.947 183 I HA -0.093 4.077 4.170 -0.000 0.000 0.263 183 I C 2.377 178.503 176.117 0.015 0.000 1.130 183 I CA 0.058 61.365 61.300 0.012 0.000 1.448 183 I CB -0.118 37.881 38.000 -0.001 0.000 1.222 183 I HN 0.064 nan 8.210 nan 0.000 0.453 184 R N 1.018 121.534 120.500 0.026 0.000 2.091 184 R HA -0.255 4.085 4.340 -0.000 0.000 0.238 184 R C 2.197 178.511 176.300 0.023 0.000 1.136 184 R CA 1.837 57.944 56.100 0.012 0.000 0.959 184 R CB -0.779 29.533 30.300 0.021 0.000 0.856 184 R HN 0.390 nan 8.270 nan 0.000 0.437 185 H N 0.011 119.070 119.070 -0.017 0.000 2.546 185 H HA -0.034 4.522 4.556 -0.000 0.000 0.277 185 H C 1.400 176.722 175.328 -0.009 0.000 1.004 185 H CA 1.219 57.263 56.048 -0.005 0.000 1.231 185 H CB 0.436 30.200 29.762 0.003 0.000 1.382 185 H HN 0.225 nan 8.280 nan 0.000 0.580 186 Q N 0.107 119.980 119.800 0.123 0.000 2.376 186 Q HA 0.095 4.434 4.340 -0.000 0.000 0.206 186 Q C 2.040 178.022 176.000 -0.031 0.000 0.921 186 Q CA 0.373 56.204 55.803 0.047 0.000 0.911 186 Q CB 0.104 28.841 28.738 -0.002 0.000 1.032 186 Q HN 0.460 nan 8.270 nan 0.000 0.510 187 L N -0.394 120.787 121.223 -0.070 0.000 2.130 187 L HA 0.079 4.419 4.340 -0.000 0.000 0.200 187 L C 2.241 178.994 176.870 -0.194 0.000 1.075 187 L CA 1.048 55.792 54.840 -0.160 0.000 0.768 187 L CB -0.458 41.511 42.059 -0.150 0.000 0.933 187 L HN 0.263 nan 8.230 nan 0.000 0.451 188 E N -0.427 119.654 120.200 -0.197 0.000 2.208 188 E HA -0.339 4.011 4.350 -0.000 0.000 0.202 188 E C 2.077 178.563 176.600 -0.191 0.000 1.014 188 E CA 1.616 57.845 56.400 -0.285 0.000 0.819 188 E CB 0.008 29.574 29.700 -0.224 0.000 0.735 188 E HN 0.449 nan 8.360 nan 0.000 0.469 189 H N 0.285 119.257 119.070 -0.164 0.000 2.273 189 H HA -0.013 4.543 4.556 -0.000 0.000 0.311 189 H C 2.228 177.501 175.328 -0.090 0.000 1.057 189 H CA 1.563 57.572 56.048 -0.066 0.000 1.360 189 H CB -0.393 29.387 29.762 0.030 0.000 1.414 189 H HN 0.178 nan 8.280 nan 0.000 0.516 190 I N 0.882 121.470 120.570 0.030 0.000 2.381 190 I HA -0.298 3.872 4.170 -0.000 0.000 0.255 190 I C 2.677 178.572 176.117 -0.370 0.000 1.140 190 I CA 0.929 61.909 61.300 -0.532 0.000 1.404 190 I CB -0.239 37.138 38.000 -1.039 0.000 1.075 190 I HN 0.197 nan 8.210 nan 0.000 0.433 191 L N 0.455 121.520 121.223 -0.262 0.000 2.062 191 L HA -0.084 4.256 4.340 -0.000 0.000 0.202 191 L C 2.186 179.001 176.870 -0.091 0.000 1.079 191 L CA 1.449 56.172 54.840 -0.195 0.000 0.755 191 L CB -0.501 41.374 42.059 -0.307 0.000 0.913 191 L HN 0.149 nan 8.230 nan 0.000 0.445 192 N N -0.036 118.581 118.700 -0.138 0.000 2.417 192 N HA -0.254 4.486 4.740 -0.000 0.000 0.187 192 N C 1.410 176.942 175.510 0.035 0.000 1.027 192 N CA 1.183 54.190 53.050 -0.070 0.000 0.891 192 N CB -0.081 38.345 38.487 -0.102 0.000 0.956 192 N HN 0.522 nan 8.380 nan 0.000 0.442 193 E N 0.149 120.376 120.200 0.046 0.000 2.472 193 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 193 E C 0.096 176.833 176.600 0.228 0.000 1.033 193 E CA 0.164 56.649 56.400 0.142 0.000 0.886 193 E CB 0.408 30.177 29.700 0.116 0.000 0.944 193 E HN 0.125 nan 8.360 nan 0.000 0.492 194 E N 0.199 120.541 120.200 0.237 0.000 2.558 194 E HA 0.046 4.396 4.350 -0.000 0.000 0.205 194 E C -0.832 175.898 176.600 0.216 0.000 1.006 194 E CA -0.225 56.302 56.400 0.212 0.000 0.961 194 E CB -0.146 29.681 29.700 0.212 0.000 1.044 194 E HN 0.319 nan 8.360 nan 0.000 0.465 195 H N 0.748 119.841 119.070 0.037 0.000 2.262 195 H HA -0.199 4.357 4.556 -0.000 0.000 0.319 195 H C -0.151 175.195 175.328 0.031 0.000 0.947 195 H CA 0.154 56.220 56.048 0.029 0.000 1.060 195 H CB -0.707 29.070 29.762 0.025 0.000 1.605 195 H HN 0.111 nan 8.280 nan 0.000 0.346 196 I N 0.332 120.961 120.570 0.099 0.000 2.740 196 I HA 0.442 4.612 4.170 -0.000 0.000 0.303 196 I C 0.798 176.963 176.117 0.079 0.000 1.044 196 I CA -0.649 60.693 61.300 0.069 0.000 1.064 196 I CB 1.749 39.776 38.000 0.045 0.000 1.249 196 I HN 0.336 nan 8.210 nan 0.000 0.433 197 A N 5.610 128.469 122.820 0.066 0.000 2.332 197 A HA 0.615 4.935 4.320 -0.000 0.000 0.258 197 A C -0.303 177.362 177.584 0.136 0.000 1.087 197 A CA 0.139 52.215 52.037 0.066 0.000 0.802 197 A CB 0.262 19.268 19.000 0.009 0.000 1.042 197 A HN 0.952 nan 8.150 nan 0.000 0.489 198 H N -0.751 118.294 119.070 -0.042 0.000 3.024 198 H HA 0.486 5.042 4.556 -0.000 0.000 0.324 198 H C -1.769 173.535 175.328 -0.041 0.000 1.347 198 H CA -0.739 55.283 56.048 -0.042 0.000 1.182 198 H CB 0.482 30.214 29.762 -0.050 0.000 1.889 198 H HN 0.606 nan 8.280 nan 0.000 0.528 199 E N 2.021 122.167 120.200 -0.091 0.000 2.199 199 E HA 0.256 4.606 4.350 -0.000 0.000 0.269 199 E C -2.050 174.545 176.600 -0.009 0.000 0.899 199 E CA -2.177 54.147 56.400 -0.127 0.000 0.772 199 E CB 2.571 32.233 29.700 -0.064 0.000 1.155 199 E HN 0.316 nan 8.360 nan 0.000 0.408 200 P HA -0.208 nan 4.420 nan 0.000 0.216 200 P C 1.065 178.382 177.300 0.028 0.000 1.150 200 P CA 1.170 64.292 63.100 0.036 0.000 0.843 200 P CB 0.273 31.972 31.700 -0.001 0.000 0.787 201 R N -0.498 120.005 120.500 0.005 0.000 2.088 201 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 201 R C 2.256 178.561 176.300 0.009 0.000 1.136 201 R CA 1.811 57.912 56.100 0.002 0.000 0.926 201 R CB -1.558 28.736 30.300 -0.009 0.000 0.837 201 R HN 0.140 nan 8.270 nan 0.000 0.429 202 A N 1.835 124.662 122.820 0.013 0.000 1.915 202 A HA -0.204 4.115 4.320 -0.000 0.000 0.220 202 A C 2.391 179.984 177.584 0.015 0.000 1.198 202 A CA 1.758 53.804 52.037 0.014 0.000 0.647 202 A CB -0.905 18.110 19.000 0.025 0.000 0.825 202 A HN 0.266 nan 8.150 nan 0.000 0.456 203 L N -1.771 119.473 121.223 0.035 0.000 2.127 203 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 203 L C 2.760 179.630 176.870 -0.001 0.000 1.089 203 L CA 1.713 56.559 54.840 0.010 0.000 0.757 203 L CB -0.506 41.566 42.059 0.021 0.000 0.899 203 L HN 0.406 nan 8.230 nan 0.000 0.434 204 Q N -0.100 119.704 119.800 0.006 0.000 2.302 204 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 204 Q C 2.154 178.152 176.000 -0.002 0.000 0.936 204 Q CA 0.811 56.616 55.803 0.003 0.000 0.886 204 Q CB 0.086 28.827 28.738 0.006 0.000 0.986 204 Q HN 0.454 nan 8.270 nan 0.000 0.487 205 L N -0.608 120.613 121.223 -0.004 0.000 2.217 205 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 205 L C 1.737 178.601 176.870 -0.011 0.000 1.107 205 L CA 0.637 55.472 54.840 -0.008 0.000 0.783 205 L CB -0.180 41.873 42.059 -0.010 0.000 0.919 205 L HN 0.255 nan 8.230 nan 0.000 0.442 206 L N -0.818 120.398 121.223 -0.013 0.000 2.084 206 L HA -0.021 4.319 4.340 -0.000 0.000 0.202 206 L C 2.874 179.733 176.870 -0.018 0.000 1.074 206 L CA 0.927 55.756 54.840 -0.019 0.000 0.757 206 L CB -0.643 41.400 42.059 -0.027 0.000 0.918 206 L HN 0.142 nan 8.230 nan 0.000 0.444 207 A N 0.311 123.121 122.820 -0.017 0.000 1.869 207 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 207 A C 2.369 179.948 177.584 -0.007 0.000 1.203 207 A CA 2.289 54.318 52.037 -0.013 0.000 0.638 207 A CB -0.786 18.210 19.000 -0.006 0.000 0.831 207 A HN 0.340 nan 8.150 nan 0.000 0.450 208 R N -0.598 119.899 120.500 -0.005 0.000 2.122 208 R HA -0.219 4.121 4.340 -0.000 0.000 0.236 208 R C 2.402 178.699 176.300 -0.005 0.000 1.129 208 R CA 2.043 58.141 56.100 -0.003 0.000 0.925 208 R CB -0.672 29.626 30.300 -0.004 0.000 0.850 208 R HN 0.479 nan 8.270 nan 0.000 0.431 209 A N 1.001 123.816 122.820 -0.008 0.000 1.882 209 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 209 A C 1.262 178.842 177.584 -0.007 0.000 1.253 209 A CA 1.808 53.840 52.037 -0.009 0.000 0.664 209 A CB -1.339 17.653 19.000 -0.012 0.000 0.838 209 A HN 0.638 nan 8.150 nan 0.000 0.460 210 A N 0.534 123.349 122.820 -0.009 0.000 2.548 210 A HA 0.315 4.635 4.320 -0.000 0.000 0.247 210 A C 0.155 177.738 177.584 -0.002 0.000 1.067 210 A CA 0.043 52.076 52.037 -0.007 0.000 0.757 210 A CB -0.191 18.802 19.000 -0.011 0.000 0.996 210 A HN 0.554 nan 8.150 nan 0.000 0.504 211 E N 2.478 122.679 120.200 0.002 0.000 2.232 211 E HA 0.357 4.706 4.350 -0.000 0.000 0.296 211 E C 1.095 177.701 176.600 0.010 0.000 1.372 211 E CA 0.301 56.705 56.400 0.006 0.000 1.527 211 E CB -0.239 29.466 29.700 0.007 0.000 1.424 211 E HN 1.222 nan 8.360 nan 0.000 0.485 212 G N 1.937 110.742 108.800 0.009 0.000 2.189 212 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 212 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 212 G C 0.599 175.508 174.900 0.015 0.000 0.975 212 G CA 0.671 45.779 45.100 0.014 0.000 0.644 212 G HN 0.438 nan 8.290 nan 0.000 0.537 213 S N 0.351 116.057 115.700 0.010 0.000 3.170 213 S HA 0.495 4.965 4.470 -0.000 0.000 0.257 213 S C 1.673 176.272 174.600 -0.000 0.000 1.284 213 S CA 0.110 58.315 58.200 0.008 0.000 0.973 213 S CB 0.295 63.501 63.200 0.008 0.000 1.330 213 S HN 0.646 nan 8.310 nan 0.000 0.493 214 L N 5.155 126.377 121.223 -0.002 0.000 2.034 214 L HA -0.162 4.178 4.340 -0.000 0.000 0.217 214 L C 2.503 179.363 176.870 -0.017 0.000 1.077 214 L CA 2.375 57.207 54.840 -0.013 0.000 0.769 214 L CB -0.684 41.367 42.059 -0.012 0.000 0.890 214 L HN 0.755 nan 8.230 nan 0.000 0.435 215 R N -0.453 120.041 120.500 -0.009 0.000 2.115 215 R HA -0.229 4.110 4.340 -0.000 0.000 0.239 215 R C 2.004 178.297 176.300 -0.012 0.000 1.133 215 R CA 2.330 58.425 56.100 -0.008 0.000 0.935 215 R CB -0.586 29.713 30.300 -0.001 0.000 0.853 215 R HN 0.467 nan 8.270 nan 0.000 0.433 216 D N 0.175 120.570 120.400 -0.008 0.000 2.092 216 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 216 D C 1.877 178.166 176.300 -0.018 0.000 0.994 216 D CA 1.704 55.698 54.000 -0.010 0.000 0.828 216 D CB -0.605 40.192 40.800 -0.005 0.000 0.963 216 D HN 0.468 nan 8.370 nan 0.000 0.450 217 A N 1.331 124.137 122.820 -0.023 0.000 1.881 217 A HA -0.229 4.090 4.320 -0.000 0.000 0.219 217 A C 2.494 180.050 177.584 -0.047 0.000 1.215 217 A CA 1.603 53.620 52.037 -0.033 0.000 0.648 217 A CB -1.054 17.923 19.000 -0.037 0.000 0.832 217 A HN 0.237 nan 8.150 nan 0.000 0.455 218 L N 0.150 121.339 121.223 -0.057 0.000 1.994 218 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 218 L C 3.021 179.862 176.870 -0.048 0.000 1.071 218 L CA 1.800 56.596 54.840 -0.075 0.000 0.745 218 L CB -0.829 41.180 42.059 -0.084 0.000 0.892 218 L HN 0.655 nan 8.230 nan 0.000 0.431 219 S N 0.094 115.777 115.700 -0.029 0.000 2.440 219 S HA -0.162 4.308 4.470 -0.000 0.000 0.240 219 S C 1.835 176.424 174.600 -0.018 0.000 1.014 219 S CA 1.114 59.304 58.200 -0.017 0.000 0.980 219 S CB -0.578 62.617 63.200 -0.009 0.000 0.775 219 S HN 0.406 nan 8.310 nan 0.000 0.499 220 L N 0.542 121.751 121.223 -0.024 0.000 2.202 220 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 220 L C 2.825 179.678 176.870 -0.027 0.000 1.083 220 L CA 1.253 56.080 54.840 -0.022 0.000 0.790 220 L CB -1.210 40.836 42.059 -0.022 0.000 0.942 220 L HN 0.313 nan 8.230 nan 0.000 0.452 221 T N -0.800 113.730 114.554 -0.040 0.000 2.881 221 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 221 T C 1.415 176.092 174.700 -0.038 0.000 1.068 221 T CA 1.205 63.276 62.100 -0.048 0.000 1.131 221 T CB -0.192 68.628 68.868 -0.080 0.000 0.871 221 T HN 0.279 nan 8.240 nan 0.000 0.479 222 D N 0.871 121.252 120.400 -0.032 0.000 2.117 222 D HA -0.067 4.573 4.640 -0.000 0.000 0.198 222 D C 2.421 178.714 176.300 -0.011 0.000 0.982 222 D CA 0.864 54.853 54.000 -0.018 0.000 0.828 222 D CB -0.038 40.757 40.800 -0.009 0.000 0.967 222 D HN 0.307 nan 8.370 nan 0.000 0.464 223 Q N 0.777 120.571 119.800 -0.011 0.000 2.084 223 Q HA -0.044 4.295 4.340 -0.000 0.000 0.202 223 Q C 2.194 178.189 176.000 -0.008 0.000 0.978 223 Q CA 1.017 56.816 55.803 -0.008 0.000 0.844 223 Q CB -0.799 27.934 28.738 -0.009 0.000 0.898 223 Q HN 0.222 nan 8.270 nan 0.000 0.426 224 A N 0.404 123.217 122.820 -0.012 0.000 2.125 224 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 224 A C 2.009 179.589 177.584 -0.007 0.000 1.156 224 A CA 0.976 53.006 52.037 -0.011 0.000 0.671 224 A CB -0.518 18.474 19.000 -0.014 0.000 0.794 224 A HN 0.350 nan 8.150 nan 0.000 0.459 225 I N -1.621 118.945 120.570 -0.006 0.000 3.081 225 I HA 0.016 4.185 4.170 -0.000 0.000 0.274 225 I C 2.726 178.843 176.117 0.002 0.000 1.178 225 I CA 0.654 61.954 61.300 -0.001 0.000 1.460 225 I CB -0.216 37.785 38.000 0.001 0.000 1.137 225 I HN 0.251 nan 8.210 nan 0.000 0.443 226 A N 0.714 123.534 122.820 0.000 0.000 1.902 226 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 226 A C 2.425 180.009 177.584 0.001 0.000 1.181 226 A CA 2.355 54.392 52.037 0.002 0.000 0.623 226 A CB -0.511 18.489 19.000 0.001 0.000 0.818 226 A HN 0.382 nan 8.150 nan 0.000 0.443 227 S N -1.062 114.637 115.700 -0.002 0.000 2.456 227 S HA 0.121 4.591 4.470 -0.000 0.000 0.224 227 S C 1.929 176.527 174.600 -0.002 0.000 1.035 227 S CA 0.546 58.744 58.200 -0.003 0.000 0.940 227 S CB -0.194 63.003 63.200 -0.005 0.000 0.799 227 S HN 0.708 nan 8.310 nan 0.000 0.508 228 G N 0.908 109.707 108.800 -0.002 0.000 2.650 228 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.214 228 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.214 228 G C 0.031 174.932 174.900 0.001 0.000 1.136 228 G CA 0.191 45.290 45.100 -0.001 0.000 0.789 228 G HN 0.421 nan 8.290 nan 0.000 0.536 229 D N -0.682 119.720 120.400 0.002 0.000 3.357 229 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 229 D C 1.410 177.714 176.300 0.007 0.000 1.126 229 D CA 1.455 55.458 54.000 0.005 0.000 0.984 229 D CB -1.210 39.592 40.800 0.004 0.000 0.925 229 D HN 0.991 nan 8.370 nan 0.000 0.414 230 G N 2.280 111.086 108.800 0.010 0.000 2.729 230 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 230 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 230 G C 0.244 175.154 174.900 0.016 0.000 1.252 230 G CA 0.762 45.871 45.100 0.015 0.000 0.751 230 G HN 0.889 nan 8.290 nan 0.000 0.527 231 Q N 0.589 120.396 119.800 0.012 0.000 2.259 231 Q HA 0.657 4.997 4.340 -0.000 0.000 0.249 231 Q C -0.231 175.777 176.000 0.014 0.000 0.914 231 Q CA -0.497 55.314 55.803 0.013 0.000 0.904 231 Q CB 2.254 30.994 28.738 0.004 0.000 1.213 231 Q HN 0.445 nan 8.270 nan 0.000 0.428 232 V N 2.901 122.831 119.914 0.026 0.000 2.306 232 V HA 0.116 4.236 4.120 -0.000 0.000 0.286 232 V C -0.127 175.984 176.094 0.028 0.000 1.404 232 V CA -0.327 61.990 62.300 0.029 0.000 1.467 232 V CB -0.487 31.364 31.823 0.047 0.000 1.459 232 V HN 0.824 nan 8.190 nan 0.000 0.518 233 S N 0.040 115.745 115.700 0.008 0.000 2.601 233 S HA 0.229 4.699 4.470 -0.000 0.000 0.271 233 S C 1.394 175.992 174.600 -0.004 0.000 1.305 233 S CA -0.183 58.015 58.200 -0.003 0.000 1.022 233 S CB 1.479 64.672 63.200 -0.011 0.000 0.940 233 S HN 0.429 nan 8.310 nan 0.000 0.525 234 T N 2.229 116.778 114.554 -0.009 0.000 2.653 234 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 234 T C 1.877 176.569 174.700 -0.013 0.000 1.035 234 T CA 2.226 64.320 62.100 -0.010 0.000 1.154 234 T CB -0.599 68.261 68.868 -0.014 0.000 0.862 234 T HN 0.733 nan 8.240 nan 0.000 0.441 235 Q N 0.479 120.271 119.800 -0.014 0.000 2.062 235 Q HA -0.178 4.162 4.340 -0.000 0.000 0.209 235 Q C 2.666 178.657 176.000 -0.014 0.000 0.996 235 Q CA 1.870 57.664 55.803 -0.015 0.000 0.859 235 Q CB -0.375 28.354 28.738 -0.014 0.000 0.920 235 Q HN 0.606 nan 8.270 nan 0.000 0.415 236 A N -0.131 122.682 122.820 -0.011 0.000 1.929 236 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 236 A C 2.308 179.886 177.584 -0.011 0.000 1.176 236 A CA 1.101 53.132 52.037 -0.010 0.000 0.628 236 A CB -0.472 18.524 19.000 -0.007 0.000 0.816 236 A HN 0.214 nan 8.150 nan 0.000 0.444 237 V N 1.124 121.032 119.914 -0.011 0.000 2.295 237 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 237 V C 2.955 179.039 176.094 -0.016 0.000 1.049 237 V CA 2.420 64.713 62.300 -0.012 0.000 1.024 237 V CB -1.061 30.756 31.823 -0.009 0.000 0.648 237 V HN 0.775 nan 8.190 nan 0.000 0.447 238 S N 0.940 116.629 115.700 -0.017 0.000 2.447 238 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 238 S C 2.102 176.687 174.600 -0.024 0.000 1.006 238 S CA 1.070 59.257 58.200 -0.022 0.000 0.957 238 S CB -0.521 62.665 63.200 -0.023 0.000 0.773 238 S HN 0.580 nan 8.310 nan 0.000 0.507 239 A N 2.760 125.567 122.820 -0.021 0.000 1.884 239 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 239 A C 2.363 179.934 177.584 -0.023 0.000 1.197 239 A CA 2.204 54.228 52.037 -0.021 0.000 0.637 239 A CB -0.658 18.332 19.000 -0.016 0.000 0.827 239 A HN 0.551 nan 8.150 nan 0.000 0.450 240 M N -1.315 118.273 119.600 -0.020 0.000 2.466 240 M HA 0.253 4.733 4.480 -0.000 0.000 0.265 240 M C 0.300 176.586 176.300 -0.022 0.000 1.122 240 M CA 0.678 55.966 55.300 -0.020 0.000 1.157 240 M CB -0.698 31.893 32.600 -0.016 0.000 1.352 240 M HN 0.209 nan 8.290 nan 0.000 0.464 241 L N 1.373 122.583 121.223 -0.022 0.000 2.315 241 L HA 0.378 4.717 4.340 -0.000 0.000 0.278 241 L C 0.949 177.802 176.870 -0.029 0.000 1.088 241 L CA -0.782 54.044 54.840 -0.023 0.000 0.899 241 L CB 0.010 42.057 42.059 -0.020 0.000 1.277 241 L HN 0.155 nan 8.230 nan 0.000 0.431 242 G N 1.667 110.446 108.800 -0.036 0.000 2.902 242 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.240 242 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.240 242 G C 0.349 175.223 174.900 -0.043 0.000 1.244 242 G CA -0.469 44.604 45.100 -0.046 0.000 0.862 242 G HN 0.530 nan 8.290 nan 0.000 0.603 243 T N 1.666 116.190 114.554 -0.050 0.000 3.058 243 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 243 T C 1.208 175.884 174.700 -0.040 0.000 0.949 243 T CA 0.245 62.319 62.100 -0.043 0.000 1.204 243 T CB -0.465 68.373 68.868 -0.050 0.000 0.963 243 T HN 0.335 nan 8.240 nan 0.000 0.634 244 L N 4.096 125.300 121.223 -0.031 0.000 2.697 244 L HA 0.154 4.494 4.340 -0.000 0.000 0.239 244 L C 1.119 177.977 176.870 -0.020 0.000 1.430 244 L CA -0.040 54.785 54.840 -0.025 0.000 1.193 244 L CB -0.708 41.339 42.059 -0.020 0.000 1.516 244 L HN 0.689 nan 8.230 nan 0.000 0.439 245 D N -2.781 117.606 120.400 -0.022 0.000 2.854 245 D HA -0.163 4.477 4.640 -0.000 0.000 0.696 245 D C 0.360 176.650 176.300 -0.017 0.000 0.361 245 D CA -0.216 53.774 54.000 -0.016 0.000 1.171 245 D CB -0.599 40.194 40.800 -0.012 0.000 1.222 245 D HN 0.121 nan 8.370 nan 0.000 0.304 246 D N 2.725 123.112 120.400 -0.022 0.000 7.919 246 D HA -0.142 4.498 4.640 -0.000 0.000 0.109 246 D C 0.601 176.891 176.300 -0.017 0.000 1.117 246 D CA 1.414 55.401 54.000 -0.022 0.000 0.840 246 D CB 0.141 40.921 40.800 -0.032 0.000 1.658 246 D HN 0.395 nan 8.370 nan 0.000 0.949 247 D N 3.108 123.500 120.400 -0.013 0.000 2.370 247 D HA -0.151 4.489 4.640 -0.000 0.000 0.256 247 D C 0.672 176.966 176.300 -0.009 0.000 1.197 247 D CA 0.406 54.400 54.000 -0.009 0.000 0.922 247 D CB 0.217 41.012 40.800 -0.007 0.000 0.911 247 D HN 0.528 nan 8.370 nan 0.000 0.517 248 Q N -0.091 119.701 119.800 -0.012 0.000 2.339 248 Q HA 0.161 4.501 4.340 -0.000 0.000 0.205 248 Q C 2.158 178.154 176.000 -0.008 0.000 0.925 248 Q CA 0.760 56.557 55.803 -0.010 0.000 0.898 248 Q CB 0.065 28.795 28.738 -0.012 0.000 1.013 248 Q HN 0.445 nan 8.270 nan 0.000 0.504 249 A N 1.331 124.145 122.820 -0.010 0.000 1.986 249 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 249 A C 2.083 179.666 177.584 -0.001 0.000 1.171 249 A CA 1.409 53.444 52.037 -0.004 0.000 0.640 249 A CB -0.449 18.548 19.000 -0.005 0.000 0.811 249 A HN 0.333 nan 8.150 nan 0.000 0.451 250 L N -1.728 119.493 121.223 -0.004 0.000 2.168 250 L HA 0.115 4.455 4.340 -0.000 0.000 0.203 250 L C 2.386 179.248 176.870 -0.013 0.000 1.078 250 L CA 1.895 56.731 54.840 -0.005 0.000 0.780 250 L CB -0.457 41.601 42.059 -0.003 0.000 0.939 250 L HN 0.192 nan 8.230 nan 0.000 0.451 251 S N -0.407 115.287 115.700 -0.011 0.000 2.420 251 S HA -0.178 4.292 4.470 -0.000 0.000 0.237 251 S C 1.829 176.419 174.600 -0.017 0.000 1.023 251 S CA 1.706 59.899 58.200 -0.012 0.000 0.991 251 S CB -0.465 62.730 63.200 -0.007 0.000 0.792 251 S HN 0.421 nan 8.310 nan 0.000 0.488 252 L N 0.911 122.125 121.223 -0.015 0.000 2.095 252 L HA 0.097 4.437 4.340 -0.000 0.000 0.204 252 L C 2.228 179.067 176.870 -0.051 0.000 1.080 252 L CA 1.400 56.228 54.840 -0.020 0.000 0.759 252 L CB -0.973 41.086 42.059 -0.001 0.000 0.914 252 L HN 0.122 nan 8.230 nan 0.000 0.439 253 V N 0.318 120.200 119.914 -0.053 0.000 2.252 253 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 253 V C 2.488 178.503 176.094 -0.131 0.000 1.056 253 V CA 2.300 64.543 62.300 -0.095 0.000 1.022 253 V CB -0.626 31.162 31.823 -0.059 0.000 0.641 253 V HN 0.545 nan 8.190 nan 0.000 0.445 254 E N 0.472 120.625 120.200 -0.078 0.000 2.007 254 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 254 E C 2.347 178.908 176.600 -0.065 0.000 0.999 254 E CA 1.277 57.641 56.400 -0.061 0.000 0.811 254 E CB -0.556 29.127 29.700 -0.028 0.000 0.762 254 E HN 0.550 nan 8.360 nan 0.000 0.450 255 A N 1.568 124.360 122.820 -0.047 0.000 2.023 255 A HA -0.297 4.023 4.320 -0.000 0.000 0.223 255 A C 2.146 179.693 177.584 -0.062 0.000 1.180 255 A CA 2.025 54.041 52.037 -0.036 0.000 0.659 255 A CB -0.651 18.334 19.000 -0.026 0.000 0.817 255 A HN 0.303 nan 8.150 nan 0.000 0.466 256 M N -0.257 119.270 119.600 -0.122 0.000 2.160 256 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 256 M C 2.014 178.131 176.300 -0.305 0.000 1.073 256 M CA 2.085 57.258 55.300 -0.211 0.000 1.142 256 M CB -0.197 32.231 32.600 -0.286 0.000 1.358 256 M HN 0.342 nan 8.290 nan 0.000 0.422 257 V N -0.545 119.191 119.914 -0.297 0.000 2.379 257 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 257 V C 1.731 177.869 176.094 0.073 0.000 1.044 257 V CA 1.784 63.971 62.300 -0.189 0.000 1.036 257 V CB -1.460 30.309 31.823 -0.089 0.000 0.664 257 V HN 0.476 nan 8.190 nan 0.000 0.453 258 E N 1.304 121.528 120.200 0.041 0.000 2.331 258 E HA 0.014 4.363 4.350 -0.000 0.000 0.199 258 E C 1.379 178.063 176.600 0.140 0.000 1.008 258 E CA 0.834 57.286 56.400 0.087 0.000 0.843 258 E CB -0.351 29.372 29.700 0.039 0.000 0.761 258 E HN 0.746 nan 8.360 nan 0.000 0.507 259 A N 1.873 124.771 122.820 0.131 0.000 2.869 259 A HA -0.222 4.098 4.320 -0.000 0.000 0.280 259 A C 0.281 177.923 177.584 0.096 0.000 1.458 259 A CA 0.827 52.969 52.037 0.176 0.000 0.776 259 A CB -2.410 16.834 19.000 0.407 0.000 1.028 259 A HN 0.310 nan 8.150 nan 0.000 0.547 260 N N 0.252 118.979 118.700 0.046 0.000 3.229 260 N HA 0.445 5.185 4.740 -0.000 0.000 0.275 260 N C 1.530 177.051 175.510 0.019 0.000 1.225 260 N CA 1.082 54.150 53.050 0.031 0.000 1.119 260 N CB -0.372 38.127 38.487 0.020 0.000 1.392 260 N HN 0.563 nan 8.380 nan 0.000 0.520 261 G N 1.796 110.611 108.800 0.024 0.000 2.766 261 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.222 261 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.222 261 G C 1.203 176.108 174.900 0.007 0.000 1.225 261 G CA 1.578 46.685 45.100 0.012 0.000 0.784 261 G HN 0.715 nan 8.290 nan 0.000 0.631 262 E N 0.194 120.400 120.200 0.010 0.000 2.136 262 E HA -0.310 4.039 4.350 -0.000 0.000 0.208 262 E C 2.362 178.967 176.600 0.008 0.000 1.035 262 E CA 2.080 58.485 56.400 0.008 0.000 0.838 262 E CB -0.436 29.270 29.700 0.009 0.000 0.748 262 E HN 0.558 nan 8.360 nan 0.000 0.459 263 R N 0.077 120.582 120.500 0.008 0.000 2.062 263 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 263 R C 2.383 178.687 176.300 0.006 0.000 1.128 263 R CA 1.413 57.517 56.100 0.007 0.000 0.960 263 R CB -0.251 30.052 30.300 0.004 0.000 0.855 263 R HN 0.218 nan 8.270 nan 0.000 0.432 264 V N 1.774 121.689 119.914 0.001 0.000 2.215 264 V HA -0.398 3.722 4.120 -0.000 0.000 0.249 264 V C 2.612 178.714 176.094 0.013 0.000 1.054 264 V CA 2.106 64.406 62.300 -0.000 0.000 1.012 264 V CB -0.552 31.264 31.823 -0.012 0.000 0.639 264 V HN 0.368 nan 8.190 nan 0.000 0.448 265 M N -0.172 119.433 119.600 0.008 0.000 2.082 265 M HA -0.224 4.256 4.480 -0.000 0.000 0.258 265 M C 2.426 178.741 176.300 0.025 0.000 1.069 265 M CA 2.502 57.809 55.300 0.011 0.000 1.102 265 M CB -1.717 30.884 32.600 0.001 0.000 1.336 265 M HN 0.480 nan 8.290 nan 0.000 0.404 266 A N 0.287 123.119 122.820 0.020 0.000 1.873 266 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 266 A C 2.271 179.873 177.584 0.030 0.000 1.193 266 A CA 1.703 53.753 52.037 0.022 0.000 0.629 266 A CB -1.044 17.965 19.000 0.014 0.000 0.826 266 A HN 0.396 nan 8.150 nan 0.000 0.447 267 L N -0.117 121.123 121.223 0.028 0.000 2.042 267 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 267 L C 2.443 179.349 176.870 0.060 0.000 1.076 267 L CA 1.533 56.392 54.840 0.032 0.000 0.749 267 L CB -0.345 41.727 42.059 0.022 0.000 0.893 267 L HN 0.432 nan 8.230 nan 0.000 0.432 268 I N -0.874 119.749 120.570 0.088 0.000 2.226 268 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 268 I C 2.206 178.432 176.117 0.182 0.000 1.100 268 I CA 1.522 62.926 61.300 0.174 0.000 1.374 268 I CB -0.572 37.531 38.000 0.172 0.000 1.057 268 I HN 0.391 nan 8.210 nan 0.000 0.413 269 N N 1.162 119.930 118.700 0.114 0.000 2.205 269 N HA -0.265 4.475 4.740 -0.000 0.000 0.186 269 N C 1.805 177.362 175.510 0.078 0.000 1.015 269 N CA 1.518 54.628 53.050 0.101 0.000 0.862 269 N CB -0.069 38.454 38.487 0.059 0.000 0.986 269 N HN 0.299 nan 8.380 nan 0.000 0.429 270 E N -1.081 119.150 120.200 0.052 0.000 2.152 270 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 270 E C 1.675 178.275 176.600 0.000 0.000 0.983 270 E CA 0.764 57.177 56.400 0.021 0.000 0.818 270 E CB -0.079 29.627 29.700 0.011 0.000 0.758 270 E HN 0.519 nan 8.360 nan 0.000 0.467 271 A N 1.146 123.968 122.820 0.003 0.000 1.854 271 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 271 A C 2.378 179.878 177.584 -0.141 0.000 1.192 271 A CA 1.391 53.375 52.037 -0.087 0.000 0.611 271 A CB -0.690 18.245 19.000 -0.109 0.000 0.832 271 A HN 0.334 nan 8.150 nan 0.000 0.442 272 A N 0.093 122.915 122.820 0.003 0.000 1.948 272 A HA 0.069 4.388 4.320 -0.000 0.000 0.220 272 A C 2.481 180.084 177.584 0.032 0.000 1.177 272 A CA 2.306 54.399 52.037 0.094 0.000 0.636 272 A CB -1.070 18.185 19.000 0.425 0.000 0.815 272 A HN 1.114 nan 8.150 nan 0.000 0.449 273 A N -0.173 122.664 122.820 0.029 0.000 1.892 273 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 273 A C 2.261 179.833 177.584 -0.020 0.000 1.188 273 A CA 1.947 53.992 52.037 0.012 0.000 0.631 273 A CB -0.449 18.557 19.000 0.009 0.000 0.822 273 A HN 0.567 nan 8.150 nan 0.000 0.447 274 R N -1.545 118.923 120.500 -0.052 0.000 2.093 274 R HA 0.279 4.619 4.340 -0.000 0.000 0.224 274 R C 0.878 177.120 176.300 -0.097 0.000 1.101 274 R CA 0.655 56.713 56.100 -0.070 0.000 0.979 274 R CB -0.276 29.974 30.300 -0.083 0.000 0.877 274 R HN 0.859 nan 8.270 nan 0.000 0.441 275 G N 1.558 110.264 108.800 -0.156 0.000 3.436 275 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.685 275 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.685 275 G C -0.445 174.276 174.900 -0.298 0.000 1.039 275 G CA -0.178 44.794 45.100 -0.214 0.000 0.879 275 G HN 0.321 nan 8.290 nan 0.000 0.478 276 I N -1.196 119.056 120.570 -0.530 0.000 3.108 276 I HA 0.772 4.942 4.170 -0.000 0.000 0.312 276 I C 0.163 175.957 176.117 -0.538 0.000 1.095 276 I CA -1.496 59.520 61.300 -0.474 0.000 1.000 276 I CB 1.985 39.686 38.000 -0.498 0.000 1.229 276 I HN 0.393 nan 8.210 nan 0.000 0.454 277 E N 3.460 123.471 120.200 -0.315 0.000 2.148 277 E HA 0.053 4.403 4.350 -0.000 0.000 0.308 277 E C -0.347 176.172 176.600 -0.135 0.000 1.278 277 E CA 0.042 56.322 56.400 -0.199 0.000 1.368 277 E CB -0.138 29.509 29.700 -0.088 0.000 1.229 277 E HN 0.573 nan 8.360 nan 0.000 0.494 278 W N 1.722 123.010 121.300 -0.020 0.000 2.321 278 W HA -0.468 4.191 4.660 -0.000 0.000 0.331 278 W C 2.219 178.722 176.519 -0.026 0.000 1.393 278 W CA 1.960 59.291 57.345 -0.023 0.000 1.252 278 W CB -0.847 28.597 29.460 -0.026 0.000 0.939 278 W HN 0.541 nan 8.180 nan 0.000 0.518 279 E N 0.648 121.008 120.200 0.266 0.000 2.312 279 E HA -0.351 3.999 4.350 -0.000 0.000 0.209 279 E C 1.893 178.533 176.600 0.068 0.000 1.047 279 E CA 1.900 58.372 56.400 0.120 0.000 0.840 279 E CB -0.428 29.313 29.700 0.069 0.000 0.738 279 E HN 0.364 nan 8.360 nan 0.000 0.478 280 A N 0.931 123.778 122.820 0.044 0.000 1.858 280 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 280 A C 2.197 179.792 177.584 0.018 0.000 1.190 280 A CA 1.365 53.407 52.037 0.009 0.000 0.617 280 A CB -0.816 18.167 19.000 -0.029 0.000 0.827 280 A HN 0.385 nan 8.150 nan 0.000 0.443 281 L N -0.098 121.140 121.223 0.024 0.000 2.051 281 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 281 L C 2.379 179.285 176.870 0.059 0.000 1.076 281 L CA 1.824 56.689 54.840 0.042 0.000 0.758 281 L CB -0.447 41.670 42.059 0.097 0.000 0.890 281 L HN 0.459 nan 8.230 nan 0.000 0.433 282 L N -2.220 119.047 121.223 0.073 0.000 1.961 282 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 282 L C 2.418 179.301 176.870 0.022 0.000 1.072 282 L CA 1.481 56.346 54.840 0.041 0.000 0.749 282 L CB -0.861 41.216 42.059 0.030 0.000 0.889 282 L HN 0.069 nan 8.230 nan 0.000 0.432 283 V N -0.172 119.754 119.914 0.020 0.000 2.278 283 V HA -0.355 3.765 4.120 -0.000 0.000 0.251 283 V C 2.504 178.623 176.094 0.043 0.000 1.062 283 V CA 1.959 64.273 62.300 0.023 0.000 1.038 283 V CB -0.597 31.239 31.823 0.021 0.000 0.646 283 V HN 0.464 nan 8.190 nan 0.000 0.447 284 E N -0.562 119.659 120.200 0.035 0.000 2.035 284 E HA -0.287 4.063 4.350 -0.000 0.000 0.204 284 E C 2.259 178.890 176.600 0.052 0.000 1.025 284 E CA 2.172 58.595 56.400 0.038 0.000 0.835 284 E CB -0.241 29.471 29.700 0.020 0.000 0.764 284 E HN 0.539 nan 8.360 nan 0.000 0.457 285 M N 0.439 120.065 119.600 0.043 0.000 2.255 285 M HA -0.291 4.189 4.480 -0.000 0.000 0.260 285 M C 2.507 178.858 176.300 0.085 0.000 1.069 285 M CA 1.640 56.967 55.300 0.045 0.000 1.089 285 M CB -0.762 31.854 32.600 0.027 0.000 1.269 285 M HN 0.169 nan 8.290 nan 0.000 0.434 286 L N -0.290 120.980 121.223 0.078 0.000 2.012 286 L HA -0.298 4.041 4.340 -0.000 0.000 0.236 286 L C 2.560 179.610 176.870 0.301 0.000 1.099 286 L CA 1.911 56.842 54.840 0.151 0.000 0.821 286 L CB -1.726 40.358 42.059 0.043 0.000 0.918 286 L HN 0.575 nan 8.230 nan 0.000 0.445 287 G N -0.701 108.241 108.800 0.236 0.000 2.581 287 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 287 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 287 G C 1.538 176.556 174.900 0.198 0.000 1.094 287 G CA 1.043 46.288 45.100 0.242 0.000 0.736 287 G HN 0.283 nan 8.290 nan 0.000 0.588 288 L N -0.816 120.494 121.223 0.145 0.000 2.034 288 L HA 0.089 4.429 4.340 -0.000 0.000 0.203 288 L C 2.878 179.811 176.870 0.105 0.000 1.074 288 L CA 0.495 55.390 54.840 0.092 0.000 0.748 288 L CB -0.480 41.615 42.059 0.061 0.000 0.905 288 L HN 0.180 nan 8.230 nan 0.000 0.439 289 L N -0.377 120.939 121.223 0.155 0.000 2.051 289 L HA -0.340 4.000 4.340 -0.000 0.000 0.214 289 L C 2.683 179.650 176.870 0.161 0.000 1.076 289 L CA 1.674 56.626 54.840 0.187 0.000 0.758 289 L CB -0.551 41.692 42.059 0.307 0.000 0.890 289 L HN 0.374 nan 8.230 nan 0.000 0.433 290 H N -0.703 118.407 119.070 0.067 0.000 2.457 290 H HA -0.131 4.425 4.556 0.000 0.000 0.294 290 H C 2.337 177.629 175.328 -0.060 0.000 1.064 290 H CA 1.643 57.635 56.048 -0.094 0.000 1.330 290 H CB 0.133 29.846 29.762 -0.081 0.000 1.395 290 H HN 0.121 nan 8.280 nan 0.000 0.541 291 R N -0.512 119.892 120.500 -0.159 0.000 2.090 291 R HA 0.124 4.464 4.340 -0.000 0.000 0.219 291 R C 2.390 178.616 176.300 -0.123 0.000 1.100 291 R CA 0.916 56.894 56.100 -0.204 0.000 0.991 291 R CB 0.044 30.293 30.300 -0.086 0.000 0.893 291 R HN 0.316 nan 8.270 nan 0.000 0.443 292 I N 0.574 121.114 120.570 -0.050 0.000 2.264 292 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 292 I C 2.262 178.359 176.117 -0.034 0.000 1.111 292 I CA 1.448 62.735 61.300 -0.021 0.000 1.382 292 I CB -0.413 37.599 38.000 0.020 0.000 1.060 292 I HN 0.265 nan 8.210 nan 0.000 0.418 293 A N -0.006 122.783 122.820 -0.051 0.000 2.015 293 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 293 A C 2.184 179.710 177.584 -0.096 0.000 1.163 293 A CA 1.417 53.420 52.037 -0.055 0.000 0.646 293 A CB -0.354 18.611 19.000 -0.058 0.000 0.806 293 A HN 0.365 nan 8.150 nan 0.000 0.448 294 M N -0.468 119.034 119.600 -0.163 0.000 2.102 294 M HA 0.003 4.483 4.480 -0.000 0.000 0.259 294 M C 1.925 178.168 176.300 -0.095 0.000 1.083 294 M CA 1.700 56.901 55.300 -0.166 0.000 1.141 294 M CB -0.748 31.697 32.600 -0.258 0.000 1.318 294 M HN 0.072 nan 8.290 nan 0.000 0.421 295 V N 1.909 121.772 119.914 -0.085 0.000 2.277 295 V HA -0.384 3.736 4.120 -0.000 0.000 0.255 295 V C 2.251 178.324 176.094 -0.036 0.000 1.074 295 V CA 2.547 64.816 62.300 -0.051 0.000 1.058 295 V CB -1.686 30.115 31.823 -0.037 0.000 0.656 295 V HN 0.797 nan 8.190 nan 0.000 0.449 296 Q N -1.184 118.597 119.800 -0.031 0.000 2.491 296 Q HA -0.024 4.316 4.340 -0.000 0.000 0.214 296 Q C 1.576 177.564 176.000 -0.020 0.000 0.970 296 Q CA 0.949 56.741 55.803 -0.018 0.000 0.960 296 Q CB 0.005 28.739 28.738 -0.007 0.000 0.996 296 Q HN 0.540 nan 8.270 nan 0.000 0.524 297 L N 0.063 121.269 121.223 -0.029 0.000 2.586 297 L HA 0.166 4.506 4.340 -0.000 0.000 0.204 297 L C 0.562 177.417 176.870 -0.024 0.000 1.053 297 L CA 1.067 55.892 54.840 -0.025 0.000 0.856 297 L CB 1.028 43.068 42.059 -0.032 0.000 1.192 297 L HN 0.289 nan 8.230 nan 0.000 0.484 298 S N -1.268 114.414 115.700 -0.029 0.000 2.300 298 S HA 0.347 4.817 4.470 -0.000 0.000 0.172 298 S C -1.925 172.660 174.600 -0.025 0.000 1.484 298 S CA -1.000 57.185 58.200 -0.025 0.000 1.265 298 S CB 0.257 63.442 63.200 -0.025 0.000 1.313 298 S HN 0.026 nan 8.310 nan 0.000 0.387 299 P HA -0.349 nan 4.420 nan 0.000 0.237 299 P C 0.912 178.200 177.300 -0.020 0.000 1.132 299 P CA 2.426 65.515 63.100 -0.019 0.000 0.939 299 P CB -0.383 31.309 31.700 -0.013 0.000 0.749 300 A N -0.860 121.949 122.820 -0.018 0.000 2.900 300 A HA 0.383 4.703 4.320 -0.000 0.000 0.246 300 A C 1.518 179.088 177.584 -0.022 0.000 1.725 300 A CA 0.597 52.624 52.037 -0.017 0.000 1.400 300 A CB -1.198 17.794 19.000 -0.014 0.000 0.973 300 A HN 0.271 nan 8.150 nan 0.000 0.635 301 A N 0.007 122.811 122.820 -0.028 0.000 2.535 301 A HA 0.535 4.855 4.320 -0.000 0.000 0.273 301 A C 0.176 177.739 177.584 -0.036 0.000 1.267 301 A CA -0.153 51.861 52.037 -0.039 0.000 0.940 301 A CB 0.016 18.983 19.000 -0.055 0.000 1.101 301 A HN 0.467 nan 8.150 nan 0.000 0.521 302 L N 1.038 122.246 121.223 -0.024 0.000 2.301 302 L HA 0.479 4.819 4.340 -0.000 0.000 0.278 302 L C 1.178 178.040 176.870 -0.013 0.000 1.022 302 L CA -0.778 54.051 54.840 -0.019 0.000 0.854 302 L CB 1.172 43.222 42.059 -0.014 0.000 1.226 302 L HN 0.359 nan 8.230 nan 0.000 0.429 303 G N 2.343 111.136 108.800 -0.012 0.000 2.466 303 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.279 303 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.279 303 G C 0.861 175.758 174.900 -0.005 0.000 1.410 303 G CA 0.399 45.494 45.100 -0.007 0.000 1.065 303 G HN 0.842 nan 8.290 nan 0.000 0.547 304 N N -0.416 118.282 118.700 -0.003 0.000 2.018 304 N HA -0.223 4.517 4.740 -0.000 0.000 0.197 304 N C 1.237 176.746 175.510 -0.001 0.000 1.071 304 N CA 1.974 55.023 53.050 -0.002 0.000 0.887 304 N CB -0.484 38.003 38.487 -0.001 0.000 1.077 304 N HN 0.357 nan 8.380 nan 0.000 0.469 305 D N -0.809 119.591 120.400 0.000 0.000 2.396 305 D HA -0.002 4.638 4.640 -0.000 0.000 0.255 305 D C 0.680 176.980 176.300 0.000 0.000 1.224 305 D CA 0.087 54.088 54.000 0.001 0.000 0.894 305 D CB -0.039 40.762 40.800 0.002 0.000 0.939 305 D HN 0.391 nan 8.370 nan 0.000 0.506 306 M N -0.402 119.197 119.600 -0.001 0.000 2.595 306 M HA 0.029 4.509 4.480 -0.000 0.000 0.248 306 M C 2.122 178.421 176.300 -0.002 0.000 1.119 306 M CA 0.033 55.332 55.300 -0.001 0.000 1.079 306 M CB -0.756 31.841 32.600 -0.004 0.000 1.472 306 M HN 0.011 nan 8.290 nan 0.000 0.501 307 A N 1.204 124.023 122.820 -0.001 0.000 1.869 307 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 307 A C 2.478 180.062 177.584 -0.001 0.000 1.203 307 A CA 2.728 54.765 52.037 -0.001 0.000 0.638 307 A CB -1.068 17.932 19.000 -0.000 0.000 0.831 307 A HN 0.465 nan 8.150 nan 0.000 0.450 308 A N -0.208 122.612 122.820 -0.000 0.000 1.865 308 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 308 A C 2.163 179.746 177.584 -0.001 0.000 1.191 308 A CA 1.764 53.801 52.037 -0.001 0.000 0.623 308 A CB -0.764 18.235 19.000 -0.001 0.000 0.826 308 A HN 0.579 nan 8.150 nan 0.000 0.444 309 I N -1.110 119.460 120.570 -0.001 0.000 2.142 309 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 309 I C 2.123 178.239 176.117 -0.001 0.000 1.078 309 I CA 1.557 62.856 61.300 -0.001 0.000 1.343 309 I CB -0.904 37.096 38.000 0.000 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.455 120.654 120.200 -0.001 0.000 2.755 310 E HA -0.395 3.955 4.350 -0.000 0.000 0.241 310 E C 1.972 178.572 176.600 -0.001 0.000 0.977 310 E CA 2.678 59.077 56.400 -0.002 0.000 1.398 310 E CB -0.768 28.931 29.700 -0.002 0.000 1.343 310 E HN 0.390 nan 8.360 nan 0.000 0.482 311 L N 0.917 122.140 121.223 -0.000 0.000 2.042 311 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 311 L C 2.357 179.228 176.870 0.002 0.000 1.076 311 L CA 1.934 56.774 54.840 0.001 0.000 0.749 311 L CB -0.202 41.858 42.059 0.001 0.000 0.893 311 L HN 0.068 nan 8.230 nan 0.000 0.432 312 R N -1.530 118.971 120.500 0.002 0.000 2.081 312 R HA -0.117 4.222 4.340 -0.000 0.000 0.235 312 R C 2.209 178.510 176.300 0.003 0.000 1.131 312 R CA 1.708 57.809 56.100 0.002 0.000 0.960 312 R CB -0.380 29.920 30.300 0.000 0.000 0.856 312 R HN 0.347 nan 8.270 nan 0.000 0.436 313 M N 0.242 119.843 119.600 0.002 0.000 2.099 313 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 313 M C 2.141 178.443 176.300 0.003 0.000 1.067 313 M CA 1.533 56.834 55.300 0.002 0.000 1.124 313 M CB -0.642 31.958 32.600 -0.001 0.000 1.353 313 M HN 0.059 nan 8.290 nan 0.000 0.410 314 R N 0.306 120.807 120.500 0.002 0.000 2.096 314 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 314 R C 2.021 178.325 176.300 0.007 0.000 1.139 314 R CA 1.484 57.586 56.100 0.002 0.000 0.952 314 R CB -0.961 29.339 30.300 0.001 0.000 0.854 314 R HN 0.336 nan 8.270 nan 0.000 0.436 315 E N 1.015 121.220 120.200 0.008 0.000 2.086 315 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 315 E C 2.104 178.715 176.600 0.018 0.000 1.012 315 E CA 1.304 57.711 56.400 0.012 0.000 0.812 315 E CB -0.357 29.349 29.700 0.011 0.000 0.743 315 E HN 0.278 nan 8.360 nan 0.000 0.453 316 L N -0.536 120.698 121.223 0.018 0.000 2.005 316 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 316 L C 2.482 179.371 176.870 0.032 0.000 1.072 316 L CA 1.048 55.905 54.840 0.028 0.000 0.744 316 L CB -0.805 41.268 42.059 0.023 0.000 0.895 316 L HN 0.187 nan 8.230 nan 0.000 0.433 317 A N 1.333 124.166 122.820 0.021 0.000 1.873 317 A HA -0.343 3.977 4.320 -0.000 0.000 0.219 317 A C 2.344 179.942 177.584 0.022 0.000 1.269 317 A CA 3.014 55.062 52.037 0.017 0.000 0.671 317 A CB -0.952 18.051 19.000 0.005 0.000 0.842 317 A HN 0.572 nan 8.150 nan 0.000 0.460 318 R N -0.729 119.782 120.500 0.018 0.000 2.064 318 R HA -0.108 4.232 4.340 -0.000 0.000 0.228 318 R C 2.029 178.346 176.300 0.028 0.000 1.144 318 R CA 2.304 58.415 56.100 0.019 0.000 0.932 318 R CB -1.827 28.481 30.300 0.014 0.000 0.833 318 R HN 0.531 nan 8.270 nan 0.000 0.429 319 T N -0.706 113.867 114.554 0.031 0.000 3.093 319 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 319 T C 0.811 175.545 174.700 0.057 0.000 1.170 319 T CA 0.709 62.833 62.100 0.040 0.000 1.072 319 T CB -0.579 68.312 68.868 0.039 0.000 0.863 319 T HN 0.304 nan 8.240 nan 0.000 0.562 320 I N 0.997 121.606 120.570 0.064 0.000 2.497 320 I HA 0.351 4.521 4.170 -0.000 0.000 0.284 320 I C -2.780 173.385 176.117 0.080 0.000 1.060 320 I CA -2.891 58.465 61.300 0.093 0.000 1.071 320 I CB 2.282 40.361 38.000 0.133 0.000 1.216 320 I HN -0.219 nan 8.210 nan 0.000 0.442 321 P HA -0.056 nan 4.420 nan 0.000 0.257 321 P C -1.654 175.671 177.300 0.041 0.000 1.162 321 P CA -0.611 62.514 63.100 0.043 0.000 0.762 321 P CB 0.075 31.795 31.700 0.033 0.000 0.753 322 P HA -0.257 nan 4.420 nan 0.000 0.218 322 P C 0.934 178.244 177.300 0.017 0.000 1.147 322 P CA 1.793 64.907 63.100 0.023 0.000 0.827 322 P CB -0.170 31.537 31.700 0.011 0.000 0.778 323 T N 0.093 114.650 114.554 0.004 0.000 2.668 323 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 323 T C 1.438 176.110 174.700 -0.047 0.000 1.051 323 T CA 1.636 63.726 62.100 -0.016 0.000 1.155 323 T CB -0.992 67.863 68.868 -0.021 0.000 0.864 323 T HN 0.110 nan 8.240 nan 0.000 0.413 324 D N 0.898 121.261 120.400 -0.062 0.000 2.203 324 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 324 D C 1.924 178.083 176.300 -0.234 0.000 0.997 324 D CA 0.707 54.596 54.000 -0.185 0.000 0.863 324 D CB -0.395 40.369 40.800 -0.060 0.000 0.928 324 D HN 0.312 nan 8.370 nan 0.000 0.458 325 I N 0.451 121.037 120.570 0.028 0.000 2.353 325 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 325 I C 2.352 178.560 176.117 0.151 0.000 1.119 325 I CA 0.938 62.350 61.300 0.186 0.000 1.417 325 I CB 0.076 38.170 38.000 0.156 0.000 1.078 325 I HN -0.012 nan 8.210 nan 0.000 0.421 326 Q N -0.124 119.716 119.800 0.067 0.000 2.079 326 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 326 Q C 2.312 178.364 176.000 0.087 0.000 0.974 326 Q CA 1.346 57.206 55.803 0.095 0.000 0.840 326 Q CB -0.207 28.558 28.738 0.046 0.000 0.898 326 Q HN 0.441 nan 8.270 nan 0.000 0.430 327 L N -0.019 121.176 121.223 -0.046 0.000 2.013 327 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 327 L C 2.008 178.859 176.870 -0.033 0.000 1.073 327 L CA 1.662 56.438 54.840 -0.105 0.000 0.753 327 L CB -0.342 41.550 42.059 -0.278 0.000 0.890 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 Y N -1.868 118.486 120.300 0.091 0.000 2.092 328 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 328 Y C 2.414 178.374 175.900 0.101 0.000 1.126 328 Y CA 1.608 59.752 58.100 0.073 0.000 1.111 328 Y CB -1.491 37.005 38.460 0.059 0.000 0.987 328 Y HN 0.171 nan 8.280 nan 0.000 0.489 329 Y N 1.341 121.764 120.300 0.204 0.000 1.967 329 Y HA -0.457 4.093 4.550 0.000 0.000 0.255 329 Y C 2.489 178.445 175.900 0.094 0.000 1.197 329 Y CA 2.392 60.568 58.100 0.126 0.000 1.088 329 Y CB -0.932 37.588 38.460 0.101 0.000 0.917 329 Y HN 0.270 nan 8.280 nan 0.000 0.497 330 Q N -1.039 118.852 119.800 0.153 0.000 1.967 330 Q HA -0.280 4.060 4.340 -0.000 0.000 0.210 330 Q C 2.129 178.126 176.000 -0.005 0.000 1.005 330 Q CA 2.865 58.691 55.803 0.038 0.000 0.862 330 Q CB -0.838 27.947 28.738 0.078 0.000 0.939 330 Q HN 0.513 nan 8.270 nan 0.000 0.417 331 T N 1.842 116.431 114.554 0.057 0.000 2.592 331 T HA -0.208 4.141 4.350 -0.000 0.000 0.267 331 T C 1.757 176.472 174.700 0.024 0.000 1.060 331 T CA 1.385 63.530 62.100 0.074 0.000 1.167 331 T CB -0.446 68.507 68.868 0.143 0.000 0.863 331 T HN 0.080 nan 8.240 nan 0.000 0.431 332 L N 1.317 122.549 121.223 0.016 0.000 1.990 332 L HA -0.076 4.264 4.340 -0.000 0.000 0.213 332 L C 2.419 179.221 176.870 -0.112 0.000 1.072 332 L CA 1.572 56.389 54.840 -0.039 0.000 0.755 332 L CB -1.550 40.484 42.059 -0.040 0.000 0.889 332 L HN 0.306 nan 8.230 nan 0.000 0.432 333 L N -0.436 120.647 121.223 -0.233 0.000 1.997 333 L HA -0.300 4.040 4.340 -0.000 0.000 0.216 333 L C 2.599 179.392 176.870 -0.129 0.000 1.074 333 L CA 2.179 56.852 54.840 -0.279 0.000 0.763 333 L CB -0.833 40.969 42.059 -0.428 0.000 0.890 333 L HN 0.278 nan 8.230 nan 0.000 0.434 334 I N 0.107 120.631 120.570 -0.077 0.000 2.335 334 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 334 I C 2.469 178.577 176.117 -0.014 0.000 1.129 334 I CA 1.327 62.612 61.300 -0.026 0.000 1.402 334 I CB -0.572 37.431 38.000 0.005 0.000 1.069 334 I HN 0.429 nan 8.210 nan 0.000 0.424 335 G N 0.118 108.904 108.800 -0.022 0.000 2.443 335 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.219 335 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.219 335 G C 1.743 176.628 174.900 -0.026 0.000 1.131 335 G CA 0.379 45.468 45.100 -0.019 0.000 0.775 335 G HN 0.319 nan 8.290 nan 0.000 0.547 336 R N 0.691 121.170 120.500 -0.035 0.000 2.056 336 R HA 0.010 4.350 4.340 -0.000 0.000 0.227 336 R C 2.418 178.696 176.300 -0.037 0.000 1.149 336 R CA 1.343 57.423 56.100 -0.034 0.000 0.937 336 R CB -0.395 29.879 30.300 -0.043 0.000 0.835 336 R HN 0.189 nan 8.270 nan 0.000 0.430 337 K N 0.321 120.703 120.400 -0.029 0.000 2.189 337 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 337 K C 1.799 178.402 176.600 0.005 0.000 1.046 337 K CA 2.322 58.602 56.287 -0.013 0.000 0.928 337 K CB -0.104 32.399 32.500 0.004 0.000 0.720 337 K HN 0.529 nan 8.250 nan 0.000 0.458 338 E N 0.323 120.535 120.200 0.019 0.000 2.340 338 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 338 E C 1.721 178.316 176.600 -0.008 0.000 0.996 338 E CA -0.120 56.324 56.400 0.073 0.000 0.869 338 E CB -0.021 29.727 29.700 0.080 0.000 0.835 338 E HN 0.045 nan 8.360 nan 0.000 0.493 339 L N 2.957 124.148 121.223 -0.054 0.000 2.058 339 L HA -0.220 4.120 4.340 -0.000 0.000 0.226 339 L C -0.681 176.116 176.870 -0.122 0.000 1.089 339 L CA 2.350 57.142 54.840 -0.079 0.000 0.799 339 L CB -0.909 41.112 42.059 -0.064 0.000 0.900 339 L HN 0.133 nan 8.230 nan 0.000 0.442 340 P HA -0.206 nan 4.420 nan 0.000 0.226 340 P C 0.749 177.904 177.300 -0.241 0.000 1.153 340 P CA 1.499 64.416 63.100 -0.305 0.000 0.777 340 P CB -0.274 31.142 31.700 -0.473 0.000 0.794 341 Y N -0.201 120.088 120.300 -0.018 0.000 2.583 341 Y HA 0.445 4.995 4.550 -0.000 0.000 0.294 341 Y C 1.313 177.195 175.900 -0.030 0.000 1.170 341 Y CA -1.127 56.961 58.100 -0.020 0.000 1.265 341 Y CB 0.168 38.619 38.460 -0.015 0.000 1.119 341 Y HN -0.056 nan 8.280 nan 0.000 0.522 342 A N 1.162 124.022 122.820 0.067 0.000 2.295 342 A HA 0.346 4.665 4.320 -0.000 0.000 0.318 342 A C -1.216 176.366 177.584 -0.004 0.000 1.134 342 A CA -1.633 50.410 52.037 0.010 0.000 0.827 342 A CB 0.413 19.383 19.000 -0.049 0.000 1.136 342 A HN 0.087 nan 8.150 nan 0.000 0.493 343 P HA -0.129 nan 4.420 nan 0.000 0.218 343 P C -0.109 177.171 177.300 -0.032 0.000 1.146 343 P CA 2.006 65.094 63.100 -0.020 0.000 0.820 343 P CB -0.023 31.659 31.700 -0.030 0.000 0.778 344 D N -2.896 117.465 120.400 -0.064 0.000 2.787 344 D HA 0.096 4.736 4.640 -0.000 0.000 0.215 344 D C 1.023 177.228 176.300 -0.159 0.000 1.246 344 D CA -0.712 53.238 54.000 -0.084 0.000 0.798 344 D CB 0.875 41.628 40.800 -0.079 0.000 1.649 344 D HN -0.397 nan 8.370 nan 0.000 0.507 345 R N 1.877 122.281 120.500 -0.160 0.000 2.133 345 R HA -0.203 4.136 4.340 -0.000 0.000 0.245 345 R C 2.010 177.906 176.300 -0.674 0.000 1.137 345 R CA 2.046 57.976 56.100 -0.283 0.000 0.947 345 R CB -0.658 29.575 30.300 -0.111 0.000 0.865 345 R HN 0.659 nan 8.270 nan 0.000 0.437 346 R N 0.568 120.483 120.500 -0.974 0.000 2.070 346 R HA -0.127 4.213 4.340 -0.000 0.000 0.233 346 R C 2.449 178.322 176.300 -0.712 0.000 1.137 346 R CA 1.899 57.152 56.100 -1.411 0.000 0.945 346 R CB -0.374 29.364 30.300 -0.937 0.000 0.845 346 R HN 0.190 nan 8.270 nan 0.000 0.430 347 M N 0.330 119.683 119.600 -0.411 0.000 2.226 347 M HA -0.190 4.290 4.480 -0.000 0.000 0.257 347 M C 2.099 178.254 176.300 -0.242 0.000 1.070 347 M CA 2.607 57.757 55.300 -0.250 0.000 1.087 347 M CB -0.799 31.700 32.600 -0.169 0.000 1.278 347 M HN 0.397 nan 8.290 nan 0.000 0.426 348 G N -0.640 108.020 108.800 -0.233 0.000 2.597 348 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.222 348 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.222 348 G C 1.297 176.090 174.900 -0.179 0.000 1.135 348 G CA 1.534 46.530 45.100 -0.174 0.000 0.759 348 G HN 0.461 nan 8.290 nan 0.000 0.595 349 V N 0.546 120.295 119.914 -0.275 0.000 2.302 349 V HA -0.110 4.009 4.120 -0.000 0.000 0.243 349 V C 2.670 178.673 176.094 -0.153 0.000 1.036 349 V CA 2.174 64.357 62.300 -0.195 0.000 1.020 349 V CB -0.550 31.131 31.823 -0.236 0.000 0.657 349 V HN 0.515 nan 8.190 nan 0.000 0.453 350 E N -0.174 119.905 120.200 -0.203 0.000 2.013 350 E HA -0.357 3.993 4.350 -0.000 0.000 0.202 350 E C 2.157 178.697 176.600 -0.101 0.000 1.018 350 E CA 1.912 58.235 56.400 -0.130 0.000 0.834 350 E CB -0.419 29.199 29.700 -0.136 0.000 0.770 350 E HN 0.384 nan 8.360 nan 0.000 0.459 351 M N 0.973 120.506 119.600 -0.111 0.000 2.255 351 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 351 M C 2.042 178.296 176.300 -0.077 0.000 1.071 351 M CA 1.717 56.964 55.300 -0.089 0.000 1.074 351 M CB -0.574 31.974 32.600 -0.087 0.000 1.384 351 M HN -0.006 nan 8.290 nan 0.000 0.415 352 T N -0.245 114.266 114.554 -0.072 0.000 2.985 352 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 352 T C 1.695 176.374 174.700 -0.035 0.000 1.076 352 T CA 0.858 62.930 62.100 -0.047 0.000 1.135 352 T CB -0.051 68.794 68.868 -0.038 0.000 0.890 352 T HN 0.385 nan 8.240 nan 0.000 0.480 353 L N 0.430 121.628 121.223 -0.042 0.000 2.044 353 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 353 L C 2.345 179.193 176.870 -0.038 0.000 1.075 353 L CA 0.841 55.661 54.840 -0.033 0.000 0.747 353 L CB -0.378 41.660 42.059 -0.035 0.000 0.903 353 L HN 0.255 nan 8.230 nan 0.000 0.435 354 L N -0.489 120.702 121.223 -0.054 0.000 2.064 354 L HA -0.331 4.009 4.340 -0.000 0.000 0.216 354 L C 2.734 179.548 176.870 -0.094 0.000 1.077 354 L CA 1.356 56.156 54.840 -0.066 0.000 0.766 354 L CB -0.630 41.383 42.059 -0.078 0.000 0.890 354 L HN 0.308 nan 8.230 nan 0.000 0.435 355 R N 0.383 120.822 120.500 -0.101 0.000 2.171 355 R HA -0.255 4.084 4.340 -0.000 0.000 0.232 355 R C 2.324 178.579 176.300 -0.076 0.000 1.116 355 R CA 2.215 58.225 56.100 -0.149 0.000 0.901 355 R CB -0.910 29.362 30.300 -0.047 0.000 0.850 355 R HN 0.327 nan 8.270 nan 0.000 0.431 356 A N 0.239 123.088 122.820 0.049 0.000 1.909 356 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 356 A C 2.200 179.863 177.584 0.131 0.000 1.223 356 A CA 2.223 54.347 52.037 0.145 0.000 0.658 356 A CB -1.065 18.013 19.000 0.129 0.000 0.831 356 A HN 0.387 nan 8.150 nan 0.000 0.462 357 L N -0.911 120.343 121.223 0.053 0.000 2.043 357 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 357 L C 2.933 179.881 176.870 0.130 0.000 1.075 357 L CA 2.299 57.192 54.840 0.088 0.000 0.752 357 L CB -0.628 41.454 42.059 0.039 0.000 0.891 357 L HN 0.445 nan 8.230 nan 0.000 0.432 358 A N -2.469 120.364 122.820 0.021 0.000 2.072 358 A HA 0.024 4.343 4.320 -0.000 0.000 0.216 358 A C 1.900 179.603 177.584 0.199 0.000 1.156 358 A CA 0.455 52.502 52.037 0.018 0.000 0.701 358 A CB -0.490 18.414 19.000 -0.160 0.000 0.816 358 A HN 0.404 nan 8.150 nan 0.000 0.458 359 F N -0.476 119.531 119.950 0.094 0.000 2.660 359 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 359 F C 0.895 176.771 175.800 0.127 0.000 1.132 359 F CA -0.662 57.387 58.000 0.081 0.000 1.372 359 F CB -0.090 38.939 39.000 0.049 0.000 1.003 359 F HN 0.325 nan 8.300 nan 0.000 0.524 360 H N 1.441 120.648 119.070 0.228 0.000 2.871 360 H HA 0.001 4.557 4.556 -0.000 0.000 0.355 360 H C -1.686 173.696 175.328 0.091 0.000 1.092 360 H CA -1.335 54.817 56.048 0.173 0.000 1.420 360 H CB 1.385 31.253 29.762 0.177 0.000 1.400 360 H HN -0.063 nan 8.280 nan 0.000 0.604 361 P HA -0.137 nan 4.420 nan 0.000 0.211 361 P C -0.036 177.231 177.300 -0.055 0.000 1.179 361 P CA 1.438 64.596 63.100 0.098 0.000 0.910 361 P CB 0.367 32.139 31.700 0.121 0.000 0.785 362 R N -1.525 118.827 120.500 -0.247 0.000 2.810 362 R HA 0.407 4.747 4.340 -0.000 0.000 0.245 362 R C 1.066 177.000 176.300 -0.611 0.000 1.168 362 R CA -0.835 55.087 56.100 -0.297 0.000 1.096 362 R CB -0.480 29.709 30.300 -0.184 0.000 1.259 362 R HN -0.008 nan 8.270 nan 0.000 0.518 363 M N -2.198 117.199 119.600 -0.339 0.000 2.813 363 M HA -0.159 4.321 4.480 -0.000 0.000 0.158 363 M C -1.765 174.470 176.300 -0.108 0.000 0.678 363 M CA 0.959 56.107 55.300 -0.254 0.000 0.585 363 M CB -3.111 29.336 32.600 -0.255 0.000 2.137 363 M HN 0.509 nan 8.290 nan 0.000 0.323 364 P HA 0.169 nan 4.420 nan 0.000 0.267 364 P C 0.455 177.793 177.300 0.063 0.000 1.195 364 P CA 0.211 63.365 63.100 0.090 0.000 0.773 364 P CB 0.459 32.230 31.700 0.117 0.000 0.837 365 L N 2.312 123.579 121.223 0.073 0.000 2.461 365 L HA 0.335 4.675 4.340 -0.000 0.000 0.259 365 L C -1.358 175.534 176.870 0.037 0.000 1.248 365 L CA -1.446 53.420 54.840 0.043 0.000 0.823 365 L CB -0.846 41.230 42.059 0.029 0.000 1.111 365 L HN 0.411 nan 8.230 nan 0.000 0.516 366 P HA 0.630 nan 4.420 nan 0.000 0.332 366 P C -1.850 175.460 177.300 0.017 0.000 1.233 366 P CA -0.626 62.487 63.100 0.021 0.000 0.836 366 P CB 2.119 33.828 31.700 0.016 0.000 1.369 367 E N -0.658 119.551 120.200 0.015 0.000 2.372 367 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 367 E C -2.175 174.431 176.600 0.010 0.000 0.946 367 E CA -1.103 55.304 56.400 0.012 0.000 0.769 367 E CB -0.478 29.231 29.700 0.015 0.000 1.230 367 E HN 0.409 nan 8.360 nan 0.000 0.442 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.104 63.100 0.006 0.000 0.800 368 P CB 0.000 31.703 31.700 0.004 0.000 0.726