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 3dzz_1_A DATA FIRST_RESID 4 DATA SEQUENCE KQYDFTHVPK RQGNSIKWGV LKEKELPXWI AEXDFKIAPE IXASXEEKLK DATA SEQUENCE VAAFGYESVP AEYYKAVADW EEIEHRARPK EDWCVFASGV VPAISAXVRQ DATA SEQUENCE FTSPGDQILV QEPVYNXFYS VIEGNGRRVI SSDLIYENSK YSVNWADLEE DATA SEQUENCE KLATPSVRXX VFCNPHNPIG YAWSEEEVKR IAELCAKHQV LLISDEIHGD DATA SEQUENCE LVLTDEDITP AFTVDWDAKN WVVSLISPSX TFNLAALHAA CAIIPNPDLR DATA SEQUENCE ARAEESFFLA GIGEPNLLAI PAAIAAYEEG HDWLRELKQV LRDNFAYARE DATA SEQUENCE FLAKEVPEVK VLDSNASYLA WVDISALGXN AEDFCKYLRE KTGLIISAGN DATA SEQUENCE GYRGNGHEFV RINLACPKEL VIDGXQRLKQ GVLNLN 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.595 176.600 -0.009 0.000 0.988 4 K CA 0.000 56.307 56.287 0.034 0.000 0.838 4 K CB 0.000 32.563 32.500 0.105 0.000 1.064 5 Q N 0.490 120.245 119.800 -0.074 0.000 2.230 5 Q HA -0.010 4.309 4.340 -0.035 0.000 0.202 5 Q C -0.470 175.276 176.000 -0.422 0.000 0.963 5 Q CA 1.483 57.090 55.803 -0.328 0.000 0.866 5 Q CB 0.294 28.699 28.738 -0.554 0.000 0.931 5 Q HN 0.421 nan 8.270 nan 0.000 0.452 6 Y N -0.601 119.775 120.300 0.127 0.000 2.602 6 Y HA 0.288 4.815 4.550 -0.039 0.000 0.342 6 Y C -0.724 175.135 175.900 -0.069 0.000 1.029 6 Y CA -1.853 56.279 58.100 0.054 0.000 1.080 6 Y CB 1.064 39.594 38.460 0.117 0.000 1.284 6 Y HN -0.138 nan 8.280 nan 0.000 0.485 7 D N 0.964 121.361 120.400 -0.005 0.000 2.365 7 D HA 0.168 4.787 4.640 -0.035 0.000 0.237 7 D C -0.869 175.211 176.300 -0.367 0.000 1.190 7 D CA 0.136 54.095 54.000 -0.069 0.000 0.867 7 D CB -0.013 40.830 40.800 0.072 0.000 1.050 7 D HN 0.406 nan 8.370 nan 0.000 0.491 8 F N 1.548 121.477 119.950 -0.034 0.000 2.735 8 F HA 0.112 4.623 4.527 -0.027 0.000 0.304 8 F C 1.991 177.802 175.800 0.018 0.000 1.119 8 F CA -0.179 57.725 58.000 -0.160 0.000 1.280 8 F CB 0.655 39.340 39.000 -0.526 0.000 0.994 8 F HN 0.345 nan 8.300 nan 0.000 0.520 9 T N -4.541 110.029 114.554 0.028 0.000 3.000 9 T HA 0.185 4.514 4.350 -0.035 0.000 0.248 9 T C 0.343 174.888 174.700 -0.257 0.000 1.034 9 T CA 0.332 62.335 62.100 -0.161 0.000 1.060 9 T CB -0.335 68.317 68.868 -0.360 0.000 0.983 9 T HN 0.151 nan 8.240 nan 0.000 0.482 10 H N 0.645 119.778 119.070 0.105 0.000 2.459 10 H HA 0.640 5.178 4.556 -0.030 0.000 0.332 10 H C -0.764 174.584 175.328 0.034 0.000 1.094 10 H CA -0.914 55.160 56.048 0.044 0.000 1.224 10 H CB 1.749 31.518 29.762 0.012 0.000 1.449 10 H HN -0.014 nan 8.280 nan 0.000 0.484 11 V N 5.214 125.176 119.914 0.080 0.000 2.508 11 V HA 0.109 4.208 4.120 -0.035 0.000 0.281 11 V C -1.837 174.194 176.094 -0.105 0.000 1.041 11 V CA -1.543 60.725 62.300 -0.053 0.000 1.016 11 V CB 0.277 31.986 31.823 -0.188 0.000 0.984 11 V HN 0.730 nan 8.190 nan 0.000 0.478 12 P HA 0.064 nan 4.420 nan 0.000 0.264 12 P C -0.344 176.825 177.300 -0.219 0.000 1.193 12 P CA -0.057 62.975 63.100 -0.114 0.000 0.763 12 P CB 0.310 31.970 31.700 -0.065 0.000 0.810 13 K N 4.713 125.005 120.400 -0.181 0.000 2.316 13 K HA 0.194 4.493 4.320 -0.035 0.000 0.289 13 K C 0.165 176.675 176.600 -0.151 0.000 1.070 13 K CA -0.571 55.595 56.287 -0.201 0.000 0.928 13 K CB -0.357 32.057 32.500 -0.145 0.000 1.039 13 K HN 0.295 nan 8.250 nan 0.000 0.480 14 R N 2.869 123.270 120.500 -0.165 0.000 2.528 14 R HA 0.323 4.642 4.340 -0.035 0.000 0.271 14 R C 0.697 176.973 176.300 -0.039 0.000 1.056 14 R CA -0.532 55.522 56.100 -0.076 0.000 1.117 14 R CB 0.311 30.601 30.300 -0.017 0.000 1.085 14 R HN 0.746 nan 8.270 nan 0.000 0.530 15 Q N -0.492 119.298 119.800 -0.017 0.000 2.407 15 Q HA 0.228 4.547 4.340 -0.035 0.000 0.214 15 Q C 1.364 177.378 176.000 0.023 0.000 1.043 15 Q CA 0.136 55.936 55.803 -0.005 0.000 0.983 15 Q CB 0.464 29.195 28.738 -0.011 0.000 1.211 15 Q HN 0.830 nan 8.270 nan 0.000 0.564 16 G N 0.970 109.784 108.800 0.023 0.000 2.534 16 G HA2 -0.195 3.744 3.960 -0.035 0.000 0.217 16 G HA3 -0.195 3.744 3.960 -0.035 0.000 0.217 16 G C 0.747 175.680 174.900 0.054 0.000 1.128 16 G CA 0.478 45.603 45.100 0.041 0.000 0.784 16 G HN 0.702 nan 8.290 nan 0.000 0.542 17 N N 0.310 119.036 118.700 0.045 0.000 2.295 17 N HA 0.051 4.770 4.740 -0.035 0.000 0.221 17 N C 0.386 175.933 175.510 0.063 0.000 1.129 17 N CA -0.074 53.005 53.050 0.048 0.000 0.836 17 N CB 0.087 38.593 38.487 0.031 0.000 1.040 17 N HN 0.029 nan 8.380 nan 0.000 0.494 18 S N 0.541 116.292 115.700 0.086 0.000 2.533 18 S HA 0.204 4.653 4.470 -0.035 0.000 0.282 18 S C 1.395 176.069 174.600 0.123 0.000 1.304 18 S CA -0.615 57.652 58.200 0.112 0.000 1.063 18 S CB 0.203 63.511 63.200 0.180 0.000 0.881 18 S HN 0.264 nan 8.310 nan 0.000 0.493 19 I N 4.423 125.050 120.570 0.095 0.000 2.439 19 I HA -0.070 4.080 4.170 -0.035 0.000 0.251 19 I C 2.444 178.638 176.117 0.128 0.000 1.139 19 I CA 0.867 62.238 61.300 0.119 0.000 1.438 19 I CB -0.187 37.866 38.000 0.088 0.000 1.085 19 I HN 0.709 nan 8.210 nan 0.000 0.427 20 K N 0.343 120.741 120.400 -0.004 0.000 2.116 20 K HA -0.145 4.155 4.320 -0.035 0.000 0.203 20 K C 1.489 177.950 176.600 -0.231 0.000 1.052 20 K CA 1.381 57.549 56.287 -0.199 0.000 0.952 20 K CB 0.048 32.348 32.500 -0.334 0.000 0.729 20 K HN 0.248 nan 8.250 nan 0.000 0.446 21 W N 0.293 121.635 121.300 0.071 0.000 2.998 21 W HA 0.319 4.963 4.660 -0.025 0.000 0.336 21 W C 0.601 177.156 176.519 0.060 0.000 1.112 21 W CA -0.516 56.866 57.345 0.062 0.000 1.682 21 W CB 0.560 30.033 29.460 0.021 0.000 1.065 21 W HN 0.018 nan 8.180 nan 0.000 0.570 22 G N 0.080 109.020 108.800 0.234 0.000 2.448 22 G HA2 0.405 4.344 3.960 -0.035 0.000 0.285 22 G HA3 0.405 4.344 3.960 -0.035 0.000 0.285 22 G C 0.705 175.677 174.900 0.121 0.000 1.176 22 G CA 0.117 45.312 45.100 0.159 0.000 0.852 22 G HN 0.821 nan 8.290 nan 0.000 0.530 23 V N 0.578 120.545 119.914 0.089 0.000 5.487 23 V HA -0.194 3.905 4.120 -0.035 0.000 0.302 23 V C 0.299 176.420 176.094 0.045 0.000 0.511 23 V CA 1.422 63.756 62.300 0.057 0.000 0.684 23 V CB -2.333 29.517 31.823 0.044 0.000 0.458 23 V HN 0.579 nan 8.190 nan 0.000 1.195 24 L N 0.224 121.486 121.223 0.065 0.000 2.360 24 L HA 0.825 5.144 4.340 -0.035 0.000 0.271 24 L C 0.830 177.721 176.870 0.035 0.000 1.057 24 L CA 0.101 54.967 54.840 0.043 0.000 0.803 24 L CB 1.226 43.332 42.059 0.079 0.000 1.207 24 L HN 0.665 nan 8.230 nan 0.000 0.445 25 K N 0.900 121.306 120.400 0.009 0.000 2.127 25 K HA 0.614 4.913 4.320 -0.035 0.000 0.240 25 K C 0.161 176.774 176.600 0.022 0.000 1.024 25 K CA 0.056 56.348 56.287 0.007 0.000 0.918 25 K CB 0.059 32.550 32.500 -0.016 0.000 1.108 25 K HN 0.705 nan 8.250 nan 0.000 0.485 26 E N -0.110 120.100 120.200 0.017 0.000 2.417 26 E HA 0.421 4.750 4.350 -0.035 0.000 0.261 26 E C 1.092 177.707 176.600 0.025 0.000 1.000 26 E CA 0.864 57.280 56.400 0.026 0.000 0.919 26 E CB -1.294 28.415 29.700 0.016 0.000 0.955 26 E HN 2.102 nan 8.360 nan 0.000 0.455 27 K N 1.521 121.949 120.400 0.047 0.000 3.500 27 K HA -0.192 4.107 4.320 -0.035 0.000 0.313 27 K C 0.356 176.979 176.600 0.038 0.000 1.338 27 K CA 1.726 58.041 56.287 0.047 0.000 0.963 27 K CB -2.578 29.936 32.500 0.024 0.000 1.267 27 K HN 0.884 nan 8.250 nan 0.000 0.448 28 E N -0.983 119.235 120.200 0.029 0.000 2.398 28 E HA 0.452 4.781 4.350 -0.035 0.000 0.263 28 E C 0.025 176.625 176.600 -0.000 0.000 1.046 28 E CA -0.222 56.174 56.400 -0.006 0.000 0.908 28 E CB 0.632 30.311 29.700 -0.034 0.000 0.963 28 E HN 0.506 nan 8.360 nan 0.000 0.431 29 L N 5.302 126.499 121.223 -0.044 0.000 2.377 29 L HA 0.413 4.732 4.340 -0.035 0.000 0.270 29 L C -2.627 174.164 176.870 -0.131 0.000 0.991 29 L CA -2.024 52.778 54.840 -0.063 0.000 0.851 29 L CB 1.274 43.330 42.059 -0.006 0.000 1.218 29 L HN 0.312 nan 8.230 nan 0.000 0.420 33 I N 3.730 123.790 120.570 -0.850 0.000 2.692 33 I HA 0.404 4.553 4.170 -0.035 0.000 0.284 33 I C 0.917 176.872 176.117 -0.269 0.000 1.159 33 I CA 0.470 61.360 61.300 -0.684 0.000 1.423 33 I CB 1.388 38.556 38.000 -1.385 0.000 1.380 33 I HN 0.257 nan 8.210 nan 0.000 0.580 34 A N 7.895 130.682 122.820 -0.055 0.000 2.981 34 A HA 0.230 4.529 4.320 -0.035 0.000 0.280 34 A C 0.089 177.764 177.584 0.153 0.000 1.743 34 A CA -0.151 51.969 52.037 0.138 0.000 1.430 34 A CB -0.707 18.345 19.000 0.086 0.000 1.085 34 A HN 0.816 nan 8.150 nan 0.000 0.597 38 F N 1.097 121.103 119.950 0.093 0.000 2.546 38 F HA 0.391 4.894 4.527 -0.039 0.000 0.320 38 F C 0.807 176.659 175.800 0.087 0.000 1.076 38 F CA -1.164 56.904 58.000 0.112 0.000 0.928 38 F CB 1.370 40.516 39.000 0.243 0.000 1.189 38 F HN -0.348 nan 8.300 nan 0.000 0.465 39 K N 3.332 123.879 120.400 0.245 0.000 2.436 39 K HA 0.287 4.586 4.320 -0.035 0.000 0.275 39 K C 0.057 176.704 176.600 0.078 0.000 0.999 39 K CA -0.299 56.049 56.287 0.102 0.000 0.980 39 K CB 0.436 32.964 32.500 0.046 0.000 0.919 39 K HN 0.733 nan 8.250 nan 0.000 0.484 40 I N 0.684 121.199 120.570 -0.092 0.000 3.004 40 I HA 0.207 4.356 4.170 -0.035 0.000 0.287 40 I C 0.188 175.960 176.117 -0.575 0.000 1.144 40 I CA -0.658 60.416 61.300 -0.377 0.000 1.353 40 I CB 0.696 38.495 38.000 -0.336 0.000 1.417 40 I HN 0.670 nan 8.210 nan 0.000 0.602 41 A N 5.121 127.257 122.820 -1.140 0.000 2.567 41 A HA 0.203 4.502 4.320 -0.035 0.000 0.240 41 A C -1.277 176.064 177.584 -0.404 0.000 1.053 41 A CA -0.793 50.676 52.037 -0.946 0.000 0.755 41 A CB -0.675 17.735 19.000 -0.983 0.000 0.978 41 A HN 0.794 nan 8.150 nan 0.000 0.507 42 P HA -0.109 nan 4.420 nan 0.000 0.223 42 P C 0.676 177.930 177.300 -0.076 0.000 1.151 42 P CA 1.106 64.168 63.100 -0.064 0.000 0.787 42 P CB 0.237 31.978 31.700 0.070 0.000 0.788 43 E N -0.009 120.146 120.200 -0.076 0.000 2.153 43 E HA -0.071 4.258 4.350 -0.035 0.000 0.194 43 E C 1.320 177.826 176.600 -0.157 0.000 0.988 43 E CA 0.542 56.895 56.400 -0.078 0.000 0.811 43 E CB -0.697 28.971 29.700 -0.053 0.000 0.746 43 E HN 0.334 nan 8.360 nan 0.000 0.466 50 E N 1.912 122.102 120.200 -0.017 0.000 2.107 50 E HA -0.188 4.141 4.350 -0.035 0.000 0.191 50 E C 1.881 178.492 176.600 0.018 0.000 0.982 50 E CA 1.419 57.818 56.400 -0.003 0.000 0.809 50 E CB 0.242 29.935 29.700 -0.010 0.000 0.756 50 E HN -0.107 nan 8.360 nan 0.000 0.459 51 K N 0.863 121.274 120.400 0.018 0.000 2.057 51 K HA -0.080 4.219 4.320 -0.035 0.000 0.207 51 K C 2.001 178.699 176.600 0.164 0.000 1.049 51 K CA 1.159 57.485 56.287 0.064 0.000 0.931 51 K CB -0.416 32.097 32.500 0.022 0.000 0.714 51 K HN 0.203 nan 8.250 nan 0.000 0.440 52 L N 0.447 121.738 121.223 0.112 0.000 2.127 52 L HA -0.183 4.136 4.340 -0.035 0.000 0.211 52 L C 1.816 178.831 176.870 0.243 0.000 1.089 52 L CA 1.084 56.053 54.840 0.216 0.000 0.757 52 L CB -0.429 41.670 42.059 0.067 0.000 0.899 52 L HN 0.131 nan 8.230 nan 0.000 0.434 53 K N -0.163 120.302 120.400 0.108 0.000 2.362 53 K HA -0.050 4.249 4.320 -0.035 0.000 0.200 53 K C 1.979 178.583 176.600 0.006 0.000 1.046 53 K CA 0.588 56.904 56.287 0.049 0.000 0.952 53 K CB -0.649 31.862 32.500 0.018 0.000 0.753 53 K HN 0.178 nan 8.250 nan 0.000 0.466 54 V N 1.116 121.034 119.914 0.006 0.000 2.392 54 V HA -0.219 3.880 4.120 -0.035 0.000 0.249 54 V C 1.274 177.205 176.094 -0.271 0.000 1.059 54 V CA 1.451 63.682 62.300 -0.115 0.000 1.051 54 V CB -0.967 30.785 31.823 -0.118 0.000 0.658 54 V HN 0.474 nan 8.190 nan 0.000 0.455 55 A N -1.178 121.423 122.820 -0.364 0.000 2.872 55 A HA 0.077 4.376 4.320 -0.035 0.000 0.273 55 A C 0.432 177.642 177.584 -0.623 0.000 1.442 55 A CA 0.881 52.688 52.037 -0.385 0.000 0.801 55 A CB -1.834 17.079 19.000 -0.144 0.000 1.031 55 A HN 1.991 nan 8.150 nan 0.000 0.582 56 A N -1.547 120.559 122.820 -1.190 0.000 2.512 56 A HA 0.685 4.984 4.320 -0.035 0.000 0.294 56 A C -0.773 176.172 177.584 -1.065 0.000 1.054 56 A CA -0.271 51.262 52.037 -0.839 0.000 0.756 56 A CB 0.632 19.391 19.000 -0.403 0.000 1.293 56 A HN 1.218 nan 8.150 nan 0.000 0.395 57 F N 2.259 122.158 119.950 -0.086 0.000 2.523 57 F HA 0.492 4.997 4.527 -0.037 0.000 0.322 57 F C 1.124 176.824 175.800 -0.167 0.000 1.361 57 F CA -0.402 57.533 58.000 -0.109 0.000 1.151 57 F CB 1.173 40.112 39.000 -0.102 0.000 1.391 57 F HN 0.763 nan 8.300 nan 0.000 0.566 58 G N -0.728 108.020 108.800 -0.087 0.000 2.508 58 G HA2 0.198 4.137 3.960 -0.035 0.000 0.278 58 G HA3 0.198 4.137 3.960 -0.035 0.000 0.278 58 G C -0.839 173.953 174.900 -0.181 0.000 1.389 58 G CA -0.386 44.602 45.100 -0.187 0.000 1.050 58 G HN 0.190 nan 8.290 nan 0.000 0.522 59 Y N 0.205 120.507 120.300 0.004 0.000 2.497 59 Y HA 0.281 4.812 4.550 -0.032 0.000 0.334 59 Y C 1.047 176.934 175.900 -0.021 0.000 1.199 59 Y CA 0.475 58.571 58.100 -0.008 0.000 1.425 59 Y CB 0.578 39.035 38.460 -0.005 0.000 1.291 59 Y HN 0.328 nan 8.280 nan 0.000 0.562 60 E N 0.898 121.161 120.200 0.106 0.000 2.238 60 E HA 0.422 4.751 4.350 -0.035 0.000 0.267 60 E C -0.936 175.650 176.600 -0.023 0.000 0.887 60 E CA -0.882 55.524 56.400 0.011 0.000 0.769 60 E CB 1.803 31.467 29.700 -0.060 0.000 1.187 60 E HN 0.658 nan 8.360 nan 0.000 0.416 61 S N 0.186 115.864 115.700 -0.037 0.000 2.693 61 S HA 0.429 4.878 4.470 -0.035 0.000 0.276 61 S C 0.070 174.577 174.600 -0.155 0.000 1.192 61 S CA -0.865 57.302 58.200 -0.055 0.000 0.994 61 S CB 1.131 64.326 63.200 -0.008 0.000 1.012 61 S HN 0.224 nan 8.310 nan 0.000 0.550 62 V N 3.484 123.296 119.914 -0.171 0.000 2.385 62 V HA 0.386 4.485 4.120 -0.035 0.000 0.269 62 V C -1.698 174.305 176.094 -0.152 0.000 1.043 62 V CA -1.278 60.844 62.300 -0.297 0.000 0.906 62 V CB 0.196 31.821 31.823 -0.330 0.000 0.995 62 V HN 0.844 nan 8.190 nan 0.000 0.467 63 P HA 0.354 nan 4.420 nan 0.000 0.278 63 P C 0.625 177.914 177.300 -0.018 0.000 1.258 63 P CA -0.509 62.567 63.100 -0.039 0.000 0.811 63 P CB 1.568 33.255 31.700 -0.022 0.000 1.063 64 A N 1.315 124.177 122.820 0.070 0.000 1.978 64 A HA -0.221 4.078 4.320 -0.035 0.000 0.220 64 A C 1.894 179.546 177.584 0.113 0.000 1.170 64 A CA 1.798 53.922 52.037 0.145 0.000 0.636 64 A CB -1.185 17.891 19.000 0.126 0.000 0.810 64 A HN 0.615 nan 8.150 nan 0.000 0.448 65 E N -1.591 118.650 120.200 0.069 0.000 2.209 65 E HA -0.184 4.145 4.350 -0.035 0.000 0.196 65 E C 1.591 178.233 176.600 0.070 0.000 0.993 65 E CA 1.254 57.694 56.400 0.066 0.000 0.819 65 E CB -0.455 29.275 29.700 0.050 0.000 0.745 65 E HN 0.823 nan 8.360 nan 0.000 0.477 66 Y N -0.378 119.854 120.300 -0.112 0.000 2.133 66 Y HA -0.297 4.231 4.550 -0.037 0.000 0.287 66 Y C 1.528 177.400 175.900 -0.047 0.000 1.134 66 Y CA 1.655 59.665 58.100 -0.150 0.000 1.133 66 Y CB -0.205 38.051 38.460 -0.341 0.000 0.987 66 Y HN 0.056 nan 8.280 nan 0.000 0.502 67 Y N 0.480 120.922 120.300 0.236 0.000 2.293 67 Y HA -0.126 4.404 4.550 -0.033 0.000 0.291 67 Y C 2.528 178.450 175.900 0.036 0.000 1.137 67 Y CA 1.327 59.505 58.100 0.131 0.000 1.202 67 Y CB -0.803 37.760 38.460 0.173 0.000 0.990 67 Y HN 0.096 nan 8.280 nan 0.000 0.537 68 K N 0.471 120.975 120.400 0.174 0.000 2.057 68 K HA -0.164 4.135 4.320 -0.035 0.000 0.207 68 K C 2.281 178.925 176.600 0.073 0.000 1.049 68 K CA 1.126 57.473 56.287 0.100 0.000 0.931 68 K CB -0.241 32.311 32.500 0.086 0.000 0.714 68 K HN 0.261 nan 8.250 nan 0.000 0.440 69 A N 0.722 123.575 122.820 0.054 0.000 1.902 69 A HA -0.112 4.187 4.320 -0.035 0.000 0.217 69 A C 2.247 179.844 177.584 0.021 0.000 1.181 69 A CA 1.555 53.630 52.037 0.063 0.000 0.623 69 A CB -0.649 18.378 19.000 0.044 0.000 0.818 69 A HN 0.172 nan 8.150 nan 0.000 0.443 70 V N -0.224 119.641 119.914 -0.082 0.000 2.295 70 V HA -0.261 3.838 4.120 -0.035 0.000 0.246 70 V C 3.070 179.137 176.094 -0.045 0.000 1.049 70 V CA 2.090 64.263 62.300 -0.212 0.000 1.024 70 V CB -1.134 30.639 31.823 -0.083 0.000 0.648 70 V HN 0.626 nan 8.190 nan 0.000 0.447 71 A N -0.385 122.443 122.820 0.014 0.000 1.898 71 A HA -0.228 4.071 4.320 -0.035 0.000 0.216 71 A C 1.981 179.601 177.584 0.060 0.000 1.181 71 A CA 1.894 53.940 52.037 0.016 0.000 0.620 71 A CB -0.625 18.364 19.000 -0.018 0.000 0.819 71 A HN 0.543 nan 8.150 nan 0.000 0.442 72 D N -1.068 119.383 120.400 0.086 0.000 2.104 72 D HA -0.184 4.435 4.640 -0.035 0.000 0.194 72 D C 1.679 178.085 176.300 0.177 0.000 0.994 72 D CA 1.123 55.194 54.000 0.120 0.000 0.830 72 D CB -0.463 40.426 40.800 0.149 0.000 0.959 72 D HN 0.753 nan 8.370 nan 0.000 0.452 73 W N 1.893 123.206 121.300 0.022 0.000 2.355 73 W HA -0.151 4.489 4.660 -0.032 0.000 0.309 73 W C 1.641 178.197 176.519 0.062 0.000 1.206 73 W CA 1.001 58.382 57.345 0.061 0.000 1.284 73 W CB 0.064 29.409 29.460 -0.191 0.000 1.145 73 W HN -0.076 nan 8.180 nan 0.000 0.502 74 E N 0.510 120.807 120.200 0.162 0.000 2.110 74 E HA -0.255 4.074 4.350 -0.035 0.000 0.193 74 E C 1.870 178.521 176.600 0.084 0.000 0.988 74 E CA 1.643 58.164 56.400 0.202 0.000 0.804 74 E CB -0.613 29.293 29.700 0.343 0.000 0.745 74 E HN 0.557 nan 8.360 nan 0.000 0.458 75 E N 0.668 120.901 120.200 0.054 0.000 2.031 75 E HA -0.166 4.163 4.350 -0.035 0.000 0.193 75 E C 2.218 178.772 176.600 -0.078 0.000 0.994 75 E CA 0.940 57.349 56.400 0.015 0.000 0.800 75 E CB -0.059 29.650 29.700 0.015 0.000 0.752 75 E HN 0.176 nan 8.360 nan 0.000 0.447 76 I N 0.892 121.375 120.570 -0.145 0.000 2.233 76 I HA -0.196 3.954 4.170 -0.035 0.000 0.243 76 I C 2.393 178.289 176.117 -0.369 0.000 1.093 76 I CA 0.923 62.071 61.300 -0.254 0.000 1.380 76 I CB -0.125 37.668 38.000 -0.345 0.000 1.067 76 I HN 0.096 nan 8.210 nan 0.000 0.413 77 E N -0.222 119.630 120.200 -0.580 0.000 2.158 77 E HA -0.090 4.239 4.350 -0.035 0.000 0.191 77 E C 1.252 177.359 176.600 -0.823 0.000 0.982 77 E CA 1.052 56.947 56.400 -0.841 0.000 0.823 77 E CB 0.071 28.933 29.700 -1.397 0.000 0.766 77 E HN 0.597 nan 8.360 nan 0.000 0.468 78 H N -0.997 117.992 119.070 -0.135 0.000 3.233 78 H HA 0.203 4.738 4.556 -0.035 0.000 0.263 78 H C 0.042 175.352 175.328 -0.029 0.000 1.168 78 H CA 0.060 56.074 56.048 -0.057 0.000 1.159 78 H CB 0.722 30.475 29.762 -0.014 0.000 1.593 78 H HN -0.140 nan 8.280 nan 0.000 0.580 79 R N 0.081 120.596 120.500 0.024 0.000 3.516 79 R HA -0.134 4.185 4.340 -0.035 0.000 0.271 79 R C 0.221 176.570 176.300 0.082 0.000 1.098 79 R CA 0.613 56.732 56.100 0.032 0.000 0.732 79 R CB -2.874 27.434 30.300 0.013 0.000 1.152 79 R HN 0.617 nan 8.270 nan 0.000 0.455 80 A N 0.121 123.027 122.820 0.144 0.000 2.815 80 A HA 0.593 4.892 4.320 -0.035 0.000 0.318 80 A C 0.047 177.843 177.584 0.354 0.000 1.186 80 A CA -0.579 51.595 52.037 0.227 0.000 0.754 80 A CB 0.778 19.877 19.000 0.165 0.000 1.151 80 A HN 0.344 nan 8.150 nan 0.000 0.452 81 R N 3.598 124.236 120.500 0.230 0.000 2.210 81 R HA 0.406 4.725 4.340 -0.035 0.000 0.338 81 R C -2.422 173.900 176.300 0.037 0.000 1.062 81 R CA -1.383 54.790 56.100 0.121 0.000 0.902 81 R CB 0.787 31.108 30.300 0.036 0.000 1.050 81 R HN 0.466 nan 8.270 nan 0.000 0.461 82 P HA 0.111 nan 4.420 nan 0.000 0.276 82 P C -1.246 175.702 177.300 -0.587 0.000 1.244 82 P CA -0.500 62.297 63.100 -0.505 0.000 0.801 82 P CB 0.938 32.176 31.700 -0.769 0.000 1.006 83 K N 1.084 120.772 120.400 -1.185 0.000 2.368 83 K HA 0.005 4.304 4.320 -0.035 0.000 0.282 83 K C 0.989 177.242 176.600 -0.578 0.000 1.035 83 K CA 0.088 55.773 56.287 -1.002 0.000 0.973 83 K CB 0.342 31.914 32.500 -1.547 0.000 0.957 83 K HN 0.228 nan 8.250 nan 0.000 0.474 84 E N 1.277 121.299 120.200 -0.296 0.000 2.153 84 E HA -0.166 4.163 4.350 -0.035 0.000 0.194 84 E C 1.029 177.549 176.600 -0.134 0.000 0.988 84 E CA 1.580 57.907 56.400 -0.123 0.000 0.811 84 E CB 0.138 29.834 29.700 -0.006 0.000 0.746 84 E HN 0.643 nan 8.360 nan 0.000 0.466 85 D N -0.968 119.352 120.400 -0.135 0.000 2.309 85 D HA -0.119 4.500 4.640 -0.035 0.000 0.212 85 D C 0.831 177.190 176.300 0.099 0.000 0.968 85 D CA 0.697 54.678 54.000 -0.032 0.000 0.882 85 D CB -0.188 40.623 40.800 0.019 0.000 0.918 85 D HN 0.427 nan 8.370 nan 0.000 0.503 86 W N 0.391 121.626 121.300 -0.108 0.000 2.800 86 W HA 0.241 4.880 4.660 -0.035 0.000 0.249 86 W C 0.674 177.112 176.519 -0.136 0.000 1.294 86 W CA -1.296 55.990 57.345 -0.099 0.000 1.402 86 W CB -1.398 27.996 29.460 -0.110 0.000 1.126 86 W HN 0.186 nan 8.180 nan 0.000 0.652 87 C N 1.085 120.359 119.300 -0.045 0.000 2.350 87 C HA 0.626 5.066 4.460 -0.035 0.000 0.348 87 C C 0.468 175.260 174.990 -0.329 0.000 1.260 87 C CA -0.627 58.300 59.018 -0.153 0.000 1.966 87 C CB 0.881 28.518 27.740 -0.171 0.000 2.380 87 C HN -0.254 nan 8.230 nan 0.000 0.535 88 V N 3.557 123.536 119.914 0.108 0.000 2.569 88 V HA 0.267 4.366 4.120 -0.035 0.000 0.301 88 V C -0.369 176.084 176.094 0.598 0.000 1.044 88 V CA -0.482 62.029 62.300 0.351 0.000 0.874 88 V CB 1.329 33.374 31.823 0.369 0.000 1.002 88 V HN 0.772 nan 8.190 nan 0.000 0.424 89 F N 4.453 124.758 119.950 0.592 0.000 2.572 89 F HA 0.523 5.028 4.527 -0.037 0.000 0.370 89 F C 0.528 176.443 175.800 0.190 0.000 1.103 89 F CA 0.666 58.863 58.000 0.328 0.000 1.286 89 F CB 0.479 39.499 39.000 0.033 0.000 1.105 89 F HN 0.679 nan 8.300 nan 0.000 0.583 90 A N 3.473 125.809 122.820 -0.807 0.000 2.515 90 A HA 0.473 4.772 4.320 -0.035 0.000 0.296 90 A C 0.282 177.182 177.584 -1.141 0.000 1.094 90 A CA -0.087 51.418 52.037 -0.886 0.000 0.718 90 A CB 1.108 19.509 19.000 -0.998 0.000 1.307 90 A HN 0.920 nan 8.150 nan 0.000 0.408 91 S N -0.020 115.302 115.700 -0.631 0.000 2.561 91 S HA 0.443 4.892 4.470 -0.035 0.000 0.225 91 S C 0.785 175.206 174.600 -0.299 0.000 0.977 91 S CA 0.611 58.598 58.200 -0.355 0.000 0.926 91 S CB -0.219 62.929 63.200 -0.086 0.000 0.769 91 S HN 2.159 nan 8.310 nan 0.000 0.533 92 G N -0.500 108.099 108.800 -0.336 0.000 2.579 92 G HA2 0.449 4.388 3.960 -0.035 0.000 0.292 92 G HA3 0.449 4.388 3.960 -0.035 0.000 0.292 92 G C 0.026 174.806 174.900 -0.201 0.000 1.484 92 G CA -0.286 44.678 45.100 -0.226 0.000 0.813 92 G HN -0.004 nan 8.290 nan 0.000 0.515 93 V N 0.696 120.547 119.914 -0.104 0.000 2.270 93 V HA -0.127 3.973 4.120 -0.035 0.000 0.245 93 V C 2.896 178.983 176.094 -0.012 0.000 1.043 93 V CA 2.069 64.341 62.300 -0.047 0.000 1.014 93 V CB -0.595 31.233 31.823 0.009 0.000 0.645 93 V HN 0.547 nan 8.190 nan 0.000 0.447 94 V N 0.267 120.200 119.914 0.031 0.000 2.358 94 V HA -0.122 3.978 4.120 -0.035 0.000 0.246 94 V C 0.063 176.157 176.094 -0.000 0.000 1.047 94 V CA 2.309 64.654 62.300 0.074 0.000 1.035 94 V CB -1.733 30.171 31.823 0.135 0.000 0.658 94 V HN 0.508 nan 8.190 nan 0.000 0.452 95 P HA -0.150 nan 4.420 nan 0.000 0.216 95 P C 1.685 178.926 177.300 -0.099 0.000 1.150 95 P CA 1.951 64.997 63.100 -0.090 0.000 0.837 95 P CB -0.131 31.476 31.700 -0.155 0.000 0.786 96 A N -0.647 122.063 122.820 -0.183 0.000 1.902 96 A HA -0.184 4.115 4.320 -0.035 0.000 0.217 96 A C 2.193 179.830 177.584 0.088 0.000 1.181 96 A CA 1.446 53.373 52.037 -0.183 0.000 0.623 96 A CB -1.611 17.181 19.000 -0.345 0.000 0.818 96 A HN 0.110 nan 8.150 nan 0.000 0.443 97 I N -0.779 119.816 120.570 0.043 0.000 2.163 97 I HA -0.248 3.901 4.170 -0.035 0.000 0.243 97 I C 2.841 178.988 176.117 0.049 0.000 1.085 97 I CA 1.571 62.900 61.300 0.048 0.000 1.347 97 I CB -0.404 37.589 38.000 -0.011 0.000 1.044 97 I HN 0.410 nan 8.210 nan 0.000 0.408 98 S N 0.569 116.289 115.700 0.034 0.000 2.365 98 S HA -0.123 4.326 4.470 -0.035 0.000 0.225 98 S C 1.401 176.023 174.600 0.036 0.000 1.039 98 S CA 1.018 59.235 58.200 0.029 0.000 1.033 98 S CB -0.340 62.870 63.200 0.017 0.000 0.887 98 S HN 0.413 nan 8.310 nan 0.000 0.447 102 R N 0.301 120.779 120.500 -0.038 0.000 2.092 102 R HA -0.131 4.189 4.340 -0.035 0.000 0.231 102 R C 2.043 178.276 176.300 -0.111 0.000 1.119 102 R CA 1.804 57.874 56.100 -0.050 0.000 0.970 102 R CB -0.054 30.223 30.300 -0.038 0.000 0.864 102 R HN 0.471 nan 8.270 nan 0.000 0.440 103 Q N -0.388 119.254 119.800 -0.264 0.000 2.137 103 Q HA -0.032 4.287 4.340 -0.035 0.000 0.198 103 Q C 0.663 176.462 176.000 -0.335 0.000 0.960 103 Q CA 1.440 56.969 55.803 -0.456 0.000 0.847 103 Q CB 0.295 28.469 28.738 -0.940 0.000 0.915 103 Q HN 0.190 nan 8.270 nan 0.000 0.448 104 F N -0.767 119.192 119.950 0.015 0.000 2.682 104 F HA 0.334 4.840 4.527 -0.035 0.000 0.308 104 F C 0.394 176.212 175.800 0.030 0.000 1.093 104 F CA 0.140 58.151 58.000 0.018 0.000 1.244 104 F CB 0.203 39.215 39.000 0.020 0.000 1.052 104 F HN -0.076 nan 8.300 nan 0.000 0.573 105 T N -3.587 111.061 114.554 0.157 0.000 2.838 105 T HA 0.729 5.058 4.350 -0.035 0.000 0.292 105 T C -0.255 174.485 174.700 0.066 0.000 1.113 105 T CA -0.726 61.439 62.100 0.109 0.000 1.008 105 T CB 2.098 71.022 68.868 0.093 0.000 1.259 105 T HN -0.191 nan 8.240 nan 0.000 0.520 106 S N 1.602 117.335 115.700 0.055 0.000 2.621 106 S HA 0.702 5.151 4.470 -0.035 0.000 0.302 106 S C -2.714 171.906 174.600 0.034 0.000 1.093 106 S CA -1.268 56.956 58.200 0.039 0.000 1.017 106 S CB 1.275 64.498 63.200 0.038 0.000 1.077 106 S HN 0.653 nan 8.310 nan 0.000 0.517 107 P HA 0.160 nan 4.420 nan 0.000 0.264 107 P C 0.909 178.225 177.300 0.026 0.000 1.183 107 P CA 1.197 64.312 63.100 0.025 0.000 0.763 107 P CB 0.158 31.870 31.700 0.020 0.000 0.807 108 G N 1.830 110.646 108.800 0.027 0.000 2.253 108 G HA2 -0.215 3.724 3.960 -0.035 0.000 0.251 108 G HA3 -0.215 3.724 3.960 -0.035 0.000 0.251 108 G C 0.138 175.056 174.900 0.029 0.000 0.998 108 G CA -0.127 44.989 45.100 0.026 0.000 0.621 108 G HN 0.506 nan 8.290 nan 0.000 0.524 109 D N 1.412 121.832 120.400 0.034 0.000 2.400 109 D HA 0.395 5.014 4.640 -0.035 0.000 0.238 109 D C 0.956 177.279 176.300 0.038 0.000 1.157 109 D CA 0.451 54.473 54.000 0.037 0.000 0.889 109 D CB 0.408 41.236 40.800 0.045 0.000 1.199 109 D HN 0.550 nan 8.370 nan 0.000 0.436 110 Q N 0.575 120.396 119.800 0.035 0.000 2.235 110 Q HA 0.573 4.892 4.340 -0.035 0.000 0.250 110 Q C -0.342 175.682 176.000 0.040 0.000 0.909 110 Q CA -0.434 55.392 55.803 0.037 0.000 0.910 110 Q CB 1.803 30.558 28.738 0.029 0.000 1.223 110 Q HN 0.352 nan 8.270 nan 0.000 0.432 111 I N 2.747 123.346 120.570 0.048 0.000 2.436 111 I HA 0.309 4.458 4.170 -0.035 0.000 0.289 111 I C -0.845 175.304 176.117 0.054 0.000 1.010 111 I CA -0.827 60.500 61.300 0.045 0.000 1.098 111 I CB 1.590 39.616 38.000 0.043 0.000 1.266 111 I HN 0.402 nan 8.210 nan 0.000 0.434 112 L N 8.241 129.488 121.223 0.040 0.000 2.312 112 L HA 0.665 4.984 4.340 -0.035 0.000 0.281 112 L C -0.298 176.617 176.870 0.075 0.000 1.070 112 L CA -0.287 54.583 54.840 0.050 0.000 0.805 112 L CB 1.255 43.324 42.059 0.016 0.000 1.174 112 L HN 0.533 nan 8.230 nan 0.000 0.434 113 V N 1.775 121.764 119.914 0.126 0.000 3.158 113 V HA 0.583 4.682 4.120 -0.035 0.000 0.311 113 V C -1.010 175.202 176.094 0.197 0.000 1.181 113 V CA -0.854 61.560 62.300 0.190 0.000 1.054 113 V CB 2.042 34.022 31.823 0.262 0.000 1.085 113 V HN 0.796 nan 8.190 nan 0.000 0.446 114 Q N 0.891 120.852 119.800 0.268 0.000 2.456 114 Q HA 0.445 4.764 4.340 -0.035 0.000 0.252 114 Q C -0.846 175.311 176.000 0.262 0.000 1.042 114 Q CA -0.182 55.762 55.803 0.235 0.000 0.766 114 Q CB 1.698 30.584 28.738 0.247 0.000 1.196 114 Q HN 0.784 nan 8.270 nan 0.000 0.504 115 E N 3.636 123.963 120.200 0.212 0.000 2.366 115 E HA 0.187 4.516 4.350 -0.035 0.000 0.266 115 E C -2.181 174.482 176.600 0.105 0.000 1.051 115 E CA -1.835 54.697 56.400 0.220 0.000 0.884 115 E CB 0.573 30.413 29.700 0.234 0.000 1.006 115 E HN 0.266 nan 8.360 nan 0.000 0.417 116 P HA 0.125 nan 4.420 nan 0.000 0.278 116 P C -0.888 176.450 177.300 0.063 0.000 1.238 116 P CA -0.105 63.052 63.100 0.096 0.000 0.794 116 P CB 1.278 32.980 31.700 0.003 0.000 0.955 117 V N 3.535 123.506 119.914 0.094 0.000 3.216 117 V HA 0.244 4.343 4.120 -0.035 0.000 0.302 117 V C -1.226 174.764 176.094 -0.174 0.000 1.286 117 V CA -1.108 61.076 62.300 -0.193 0.000 1.048 117 V CB 1.907 33.632 31.823 -0.163 0.000 1.081 117 V HN 0.461 nan 8.190 nan 0.000 0.442 118 Y N 5.878 125.813 120.300 -0.609 0.000 2.954 118 Y HA -0.041 4.488 4.550 -0.035 0.000 0.351 118 Y C 1.065 176.670 175.900 -0.492 0.000 1.282 118 Y CA 0.502 58.297 58.100 -0.508 0.000 1.614 118 Y CB -0.014 37.879 38.460 -0.946 0.000 1.183 118 Y HN 0.876 nan 8.280 nan 0.000 0.566 122 Y N 0.904 121.284 120.300 0.133 0.000 2.200 122 Y HA -0.073 4.456 4.550 -0.035 0.000 0.290 122 Y C 2.551 178.471 175.900 0.033 0.000 1.137 122 Y CA 1.647 59.786 58.100 0.065 0.000 1.163 122 Y CB -1.344 37.131 38.460 0.024 0.000 0.988 122 Y HN -0.055 nan 8.280 nan 0.000 0.518 123 S N 0.010 115.787 115.700 0.129 0.000 2.356 123 S HA -0.180 4.269 4.470 -0.035 0.000 0.223 123 S C 2.315 176.949 174.600 0.058 0.000 1.032 123 S CA 1.702 59.943 58.200 0.067 0.000 1.005 123 S CB -0.909 62.297 63.200 0.011 0.000 0.867 123 S HN 0.456 nan 8.310 nan 0.000 0.449 124 V N 0.022 119.969 119.914 0.055 0.000 2.667 124 V HA 0.031 4.130 4.120 -0.035 0.000 0.252 124 V C 1.781 177.904 176.094 0.048 0.000 1.065 124 V CA 1.188 63.515 62.300 0.045 0.000 1.083 124 V CB -0.828 31.018 31.823 0.040 0.000 0.692 124 V HN 0.428 nan 8.190 nan 0.000 0.468 125 I N 0.589 121.200 120.570 0.069 0.000 2.235 125 I HA -0.103 4.046 4.170 -0.035 0.000 0.241 125 I C 2.824 178.983 176.117 0.070 0.000 1.085 125 I CA 1.868 63.209 61.300 0.070 0.000 1.378 125 I CB -0.341 37.717 38.000 0.096 0.000 1.076 125 I HN 0.281 nan 8.210 nan 0.000 0.415 126 E N 0.820 121.072 120.200 0.087 0.000 2.107 126 E HA -0.101 4.228 4.350 -0.035 0.000 0.191 126 E C 2.281 178.910 176.600 0.048 0.000 0.982 126 E CA 1.019 57.460 56.400 0.068 0.000 0.809 126 E CB -0.286 29.458 29.700 0.075 0.000 0.756 126 E HN 0.544 nan 8.360 nan 0.000 0.459 127 G N 1.431 110.259 108.800 0.046 0.000 2.432 127 G HA2 -0.227 3.712 3.960 -0.035 0.000 0.219 127 G HA3 -0.227 3.712 3.960 -0.035 0.000 0.219 127 G C 1.387 176.304 174.900 0.028 0.000 1.135 127 G CA 0.466 45.586 45.100 0.033 0.000 0.767 127 G HN 0.123 nan 8.290 nan 0.000 0.550 128 N N 0.734 119.453 118.700 0.031 0.000 2.383 128 N HA 0.077 4.796 4.740 -0.035 0.000 0.192 128 N C 1.567 177.092 175.510 0.026 0.000 1.141 128 N CA 0.802 53.868 53.050 0.026 0.000 0.851 128 N CB 0.336 38.838 38.487 0.025 0.000 0.976 128 N HN 0.377 nan 8.380 nan 0.000 0.465 129 G N 1.291 110.108 108.800 0.029 0.000 2.176 129 G HA2 -0.292 3.647 3.960 -0.035 0.000 0.252 129 G HA3 -0.292 3.647 3.960 -0.035 0.000 0.252 129 G C 0.164 175.083 174.900 0.031 0.000 1.024 129 G CA 0.149 45.265 45.100 0.027 0.000 0.755 129 G HN 0.241 nan 8.290 nan 0.000 0.507 130 R N -0.625 119.898 120.500 0.038 0.000 2.691 130 R HA 0.843 5.163 4.340 -0.035 0.000 0.259 130 R C 0.668 176.997 176.300 0.049 0.000 1.048 130 R CA -0.648 55.477 56.100 0.042 0.000 1.086 130 R CB 0.663 30.990 30.300 0.046 0.000 1.166 130 R HN 0.311 nan 8.270 nan 0.000 0.526 131 R N 0.134 120.663 120.500 0.049 0.000 2.437 131 R HA 0.420 4.739 4.340 -0.035 0.000 0.310 131 R C -0.845 175.494 176.300 0.066 0.000 0.955 131 R CA -0.874 55.257 56.100 0.051 0.000 0.851 131 R CB 1.825 32.148 30.300 0.038 0.000 1.161 131 R HN 0.212 nan 8.270 nan 0.000 0.446 132 V N 5.114 125.079 119.914 0.086 0.000 2.555 132 V HA 0.199 4.298 4.120 -0.035 0.000 0.286 132 V C 0.402 176.549 176.094 0.088 0.000 1.044 132 V CA 0.059 62.430 62.300 0.119 0.000 1.026 132 V CB 0.893 32.827 31.823 0.185 0.000 0.981 132 V HN 0.639 nan 8.190 nan 0.000 0.480 133 I N 4.127 124.751 120.570 0.090 0.000 2.509 133 I HA 0.583 4.732 4.170 -0.035 0.000 0.293 133 I C -0.216 175.955 176.117 0.090 0.000 1.020 133 I CA 0.012 61.353 61.300 0.069 0.000 1.088 133 I CB 2.066 40.090 38.000 0.041 0.000 1.267 133 I HN 0.658 nan 8.210 nan 0.000 0.430 134 S N 4.350 120.101 115.700 0.085 0.000 2.482 134 S HA 0.411 4.860 4.470 -0.035 0.000 0.303 134 S C -0.643 173.993 174.600 0.059 0.000 1.091 134 S CA -0.435 57.824 58.200 0.099 0.000 1.057 134 S CB 1.596 64.873 63.200 0.129 0.000 1.031 134 S HN 0.615 nan 8.310 nan 0.000 0.485 135 S N 3.759 119.486 115.700 0.045 0.000 2.464 135 S HA 0.273 4.722 4.470 -0.035 0.000 0.313 135 S C -0.742 173.877 174.600 0.032 0.000 1.078 135 S CA -0.736 57.471 58.200 0.013 0.000 1.096 135 S CB -0.481 62.695 63.200 -0.039 0.000 1.032 135 S HN 0.754 nan 8.310 nan 0.000 0.498 136 D N 3.517 123.949 120.400 0.054 0.000 2.455 136 D HA 0.100 4.719 4.640 -0.035 0.000 0.241 136 D C 0.453 176.796 176.300 0.072 0.000 1.138 136 D CA 0.270 54.321 54.000 0.085 0.000 0.877 136 D CB 0.503 41.365 40.800 0.104 0.000 1.187 136 D HN 0.511 nan 8.370 nan 0.000 0.451 137 L N 2.319 123.595 121.223 0.088 0.000 2.485 137 L HA 0.107 4.426 4.340 -0.035 0.000 0.275 137 L C 0.713 177.715 176.870 0.220 0.000 1.207 137 L CA -0.160 54.751 54.840 0.118 0.000 0.855 137 L CB 0.191 42.286 42.059 0.060 0.000 1.114 137 L HN 0.211 nan 8.230 nan 0.000 0.485 138 I N 3.118 123.789 120.570 0.167 0.000 2.416 138 I HA 0.041 4.190 4.170 -0.035 0.000 0.288 138 I C -0.540 175.681 176.117 0.174 0.000 1.051 138 I CA 0.017 61.403 61.300 0.142 0.000 1.375 138 I CB 0.356 38.394 38.000 0.064 0.000 1.407 138 I HN 0.396 nan 8.210 nan 0.000 0.516 139 Y N 6.166 126.451 120.300 -0.026 0.000 2.356 139 Y HA 0.619 5.148 4.550 -0.035 0.000 0.334 139 Y C -0.113 175.701 175.900 -0.142 0.000 0.958 139 Y CA -0.365 57.596 58.100 -0.231 0.000 1.196 139 Y CB 0.768 39.028 38.460 -0.333 0.000 1.137 139 Y HN 0.670 nan 8.280 nan 0.000 0.485 140 E N 2.674 122.539 120.200 -0.558 0.000 2.335 140 E HA 0.416 4.745 4.350 -0.035 0.000 0.280 140 E C -0.326 176.010 176.600 -0.440 0.000 0.918 140 E CA -0.680 55.472 56.400 -0.413 0.000 0.765 140 E CB 0.890 30.480 29.700 -0.183 0.000 1.218 140 E HN 0.698 nan 8.360 nan 0.000 0.425 141 N N 1.020 119.500 118.700 -0.365 0.000 2.716 141 N HA -0.207 4.512 4.740 -0.035 0.000 0.250 141 N C 0.279 175.606 175.510 -0.305 0.000 1.033 141 N CA 1.402 54.293 53.050 -0.266 0.000 0.727 141 N CB -1.312 37.077 38.487 -0.163 0.000 0.950 141 N HN 1.099 nan 8.380 nan 0.000 0.541 142 S N -4.397 110.996 115.700 -0.512 0.000 3.476 142 S HA -0.199 4.250 4.470 -0.035 0.000 0.309 142 S C 0.354 174.853 174.600 -0.168 0.000 1.222 142 S CA 1.741 59.748 58.200 -0.321 0.000 0.922 142 S CB -1.583 61.571 63.200 -0.077 0.000 1.023 142 S HN 1.066 nan 8.310 nan 0.000 0.591 143 K N -0.404 119.800 120.400 -0.326 0.000 2.435 143 K HA 0.796 5.095 4.320 -0.035 0.000 0.251 143 K C -0.991 175.503 176.600 -0.176 0.000 0.954 143 K CA -0.675 55.524 56.287 -0.146 0.000 0.820 143 K CB 0.992 33.419 32.500 -0.121 0.000 1.292 143 K HN 0.171 nan 8.250 nan 0.000 0.436 144 Y N 0.921 121.208 120.300 -0.021 0.000 2.361 144 Y HA 0.579 5.108 4.550 -0.035 0.000 0.332 144 Y C 0.946 176.749 175.900 -0.162 0.000 1.101 144 Y CA -0.008 58.069 58.100 -0.039 0.000 1.137 144 Y CB 2.450 40.842 38.460 -0.114 0.000 1.207 144 Y HN 0.818 nan 8.280 nan 0.000 0.463 145 S N 0.158 115.904 115.700 0.077 0.000 2.661 145 S HA 0.769 5.218 4.470 -0.035 0.000 0.285 145 S C -1.359 173.248 174.600 0.013 0.000 1.138 145 S CA -1.041 57.178 58.200 0.031 0.000 0.855 145 S CB 1.219 64.443 63.200 0.041 0.000 1.136 145 S HN 0.298 nan 8.310 nan 0.000 0.484 146 V N 2.499 122.367 119.914 -0.076 0.000 2.607 146 V HA 0.400 4.499 4.120 -0.035 0.000 0.289 146 V C 0.193 176.036 176.094 -0.417 0.000 1.053 146 V CA -0.704 61.348 62.300 -0.413 0.000 0.996 146 V CB 1.026 32.213 31.823 -1.060 0.000 0.995 146 V HN 0.933 nan 8.190 nan 0.000 0.476 147 N N 3.186 121.706 118.700 -0.300 0.000 2.558 147 N HA 0.138 4.858 4.740 -0.035 0.000 0.233 147 N C 0.404 175.810 175.510 -0.173 0.000 1.038 147 N CA -0.333 52.634 53.050 -0.139 0.000 0.934 147 N CB 0.478 38.940 38.487 -0.042 0.000 1.175 147 N HN 0.677 nan 8.380 nan 0.000 0.512 148 W N 2.907 124.222 121.300 0.025 0.000 2.388 148 W HA -0.025 4.614 4.660 -0.035 0.000 0.294 148 W C 2.166 178.682 176.519 -0.005 0.000 1.212 148 W CA 1.083 58.431 57.345 0.005 0.000 1.271 148 W CB -0.164 29.300 29.460 0.006 0.000 1.126 148 W HN 0.690 nan 8.180 nan 0.000 0.535 149 A N -0.001 122.935 122.820 0.193 0.000 1.898 149 A HA -0.239 4.060 4.320 -0.035 0.000 0.216 149 A C 1.610 179.222 177.584 0.047 0.000 1.181 149 A CA 2.117 54.217 52.037 0.106 0.000 0.620 149 A CB -1.006 18.043 19.000 0.082 0.000 0.819 149 A HN 0.321 nan 8.150 nan 0.000 0.442 150 D N -0.760 119.654 120.400 0.024 0.000 2.117 150 D HA -0.138 4.481 4.640 -0.035 0.000 0.198 150 D C 1.793 178.076 176.300 -0.028 0.000 0.982 150 D CA 1.242 55.239 54.000 -0.006 0.000 0.828 150 D CB -0.146 40.647 40.800 -0.011 0.000 0.967 150 D HN 0.231 nan 8.370 nan 0.000 0.464 151 L N 1.028 122.223 121.223 -0.046 0.000 2.012 151 L HA -0.120 4.199 4.340 -0.035 0.000 0.210 151 L C 2.134 178.974 176.870 -0.050 0.000 1.073 151 L CA 2.037 56.836 54.840 -0.069 0.000 0.748 151 L CB -0.871 41.106 42.059 -0.137 0.000 0.891 151 L HN 0.143 nan 8.230 nan 0.000 0.431 152 E N -0.868 119.330 120.200 -0.003 0.000 2.077 152 E HA -0.240 4.089 4.350 -0.035 0.000 0.193 152 E C 2.021 178.523 176.600 -0.163 0.000 0.989 152 E CA 1.467 57.840 56.400 -0.044 0.000 0.800 152 E CB 0.010 29.739 29.700 0.049 0.000 0.746 152 E HN 0.552 nan 8.360 nan 0.000 0.452 153 E N 0.299 120.442 120.200 -0.095 0.000 2.085 153 E HA -0.211 4.118 4.350 -0.035 0.000 0.194 153 E C 1.961 178.485 176.600 -0.127 0.000 0.994 153 E CA 1.671 58.008 56.400 -0.105 0.000 0.801 153 E CB -0.228 29.444 29.700 -0.048 0.000 0.743 153 E HN 0.401 nan 8.360 nan 0.000 0.453 154 K N -0.151 120.188 120.400 -0.101 0.000 2.062 154 K HA 0.060 4.359 4.320 -0.035 0.000 0.205 154 K C 2.416 178.944 176.600 -0.120 0.000 1.051 154 K CA 1.028 57.265 56.287 -0.084 0.000 0.941 154 K CB -0.260 32.211 32.500 -0.049 0.000 0.719 154 K HN 0.187 nan 8.250 nan 0.000 0.440 155 L N 0.649 121.774 121.223 -0.162 0.000 2.131 155 L HA -0.157 4.162 4.340 -0.035 0.000 0.210 155 L C 2.380 179.074 176.870 -0.294 0.000 1.092 155 L CA 0.927 55.657 54.840 -0.183 0.000 0.759 155 L CB -0.431 41.536 42.059 -0.154 0.000 0.903 155 L HN 0.205 nan 8.230 nan 0.000 0.435 156 A N -1.507 121.015 122.820 -0.496 0.000 2.167 156 A HA -0.058 4.242 4.320 -0.035 0.000 0.214 156 A C 1.375 178.850 177.584 -0.182 0.000 1.151 156 A CA 0.621 52.335 52.037 -0.538 0.000 0.735 156 A CB -0.464 18.169 19.000 -0.612 0.000 0.802 156 A HN 0.279 nan 8.150 nan 0.000 0.467 157 T N 0.479 114.954 114.554 -0.131 0.000 2.814 157 T HA 0.332 4.661 4.350 -0.035 0.000 0.297 157 T C -1.436 173.244 174.700 -0.033 0.000 0.956 157 T CA -1.553 60.510 62.100 -0.062 0.000 1.123 157 T CB 0.848 69.689 68.868 -0.046 0.000 0.902 157 T HN 0.066 nan 8.240 nan 0.000 0.528 158 P HA -0.147 nan 4.420 nan 0.000 0.217 158 P C 1.467 178.773 177.300 0.010 0.000 1.151 158 P CA 1.260 64.362 63.100 0.004 0.000 0.849 158 P CB 0.017 31.722 31.700 0.009 0.000 0.787 159 S N -2.210 113.494 115.700 0.008 0.000 2.561 159 S HA 0.026 4.475 4.470 -0.035 0.000 0.225 159 S C 0.811 175.421 174.600 0.017 0.000 0.977 159 S CA 0.000 58.210 58.200 0.016 0.000 0.926 159 S CB -0.960 62.249 63.200 0.015 0.000 0.769 159 S HN -0.113 nan 8.310 nan 0.000 0.533 160 V N 4.025 123.942 119.914 0.005 0.000 2.389 160 V HA 0.408 4.507 4.120 -0.035 0.000 0.264 160 V C 0.299 176.401 176.094 0.013 0.000 1.049 160 V CA -0.355 61.947 62.300 0.005 0.000 0.932 160 V CB 0.065 31.878 31.823 -0.017 0.000 1.011 160 V HN 0.336 nan 8.190 nan 0.000 0.475 165 F N 5.214 125.117 119.950 -0.079 0.000 2.427 165 F HA 0.719 5.226 4.527 -0.034 0.000 0.346 165 F C 0.029 175.911 175.800 0.137 0.000 1.120 165 F CA -1.047 56.964 58.000 0.018 0.000 1.033 165 F CB 1.266 40.222 39.000 -0.073 0.000 1.126 165 F HN 0.600 nan 8.300 nan 0.000 0.462 166 C N 7.067 126.336 119.300 -0.051 0.000 2.246 166 C HA 0.513 4.952 4.460 -0.035 0.000 0.329 166 C C -0.425 174.433 174.990 -0.221 0.000 1.221 166 C CA -0.354 58.629 59.018 -0.057 0.000 1.697 166 C CB -1.358 26.287 27.740 -0.157 0.000 2.312 166 C HN 0.778 nan 8.230 nan 0.000 0.509 167 N N 6.338 124.882 118.700 -0.259 0.000 2.648 167 N HA 0.467 5.186 4.740 -0.035 0.000 0.261 167 N C -2.973 172.500 175.510 -0.061 0.000 1.138 167 N CA -1.264 51.673 53.050 -0.188 0.000 0.804 167 N CB 1.576 39.789 38.487 -0.457 0.000 1.237 167 N HN 0.283 nan 8.380 nan 0.000 0.532 168 P HA 0.091 nan 4.420 nan 0.000 0.272 168 P C -0.773 176.456 177.300 -0.118 0.000 1.230 168 P CA 0.063 63.089 63.100 -0.124 0.000 0.788 168 P CB 0.410 32.004 31.700 -0.177 0.000 0.949 169 H N 1.678 120.596 119.070 -0.253 0.000 2.742 169 H HA 0.254 4.789 4.556 -0.035 0.000 0.302 169 H C 0.058 175.129 175.328 -0.428 0.000 1.069 169 H CA -0.075 55.838 56.048 -0.224 0.000 1.446 169 H CB -0.006 29.663 29.762 -0.156 0.000 1.462 169 H HN 0.198 nan 8.280 nan 0.000 0.499 170 N N 6.186 124.500 118.700 -0.644 0.000 2.419 170 N HA 0.204 4.923 4.740 -0.035 0.000 0.277 170 N C -2.435 172.602 175.510 -0.788 0.000 1.006 170 N CA -2.458 50.154 53.050 -0.730 0.000 0.923 170 N CB 1.851 39.879 38.487 -0.765 0.000 1.140 170 N HN 0.384 nan 8.380 nan 0.000 0.488 171 P HA 0.150 nan 4.420 nan 0.000 0.275 171 P C 1.101 177.791 177.300 -1.016 0.000 1.310 171 P CA 0.065 62.503 63.100 -1.103 0.000 0.904 171 P CB 0.028 30.681 31.700 -1.745 0.000 1.381 172 I N -3.457 116.567 120.570 -0.911 0.000 2.761 172 I HA 0.275 4.424 4.170 -0.035 0.000 0.261 172 I C 1.071 177.019 176.117 -0.280 0.000 1.198 172 I CA 0.949 61.834 61.300 -0.692 0.000 1.482 172 I CB -1.207 36.365 38.000 -0.714 0.000 1.100 172 I HN 0.002 nan 8.210 nan 0.000 0.445 173 G N 1.471 110.088 108.800 -0.305 0.000 2.291 173 G HA2 -0.328 3.611 3.960 -0.035 0.000 0.271 173 G HA3 -0.328 3.611 3.960 -0.035 0.000 0.271 173 G C -0.428 174.377 174.900 -0.158 0.000 1.099 173 G CA 0.243 45.205 45.100 -0.230 0.000 0.919 173 G HN 0.634 nan 8.290 nan 0.000 0.496 174 Y N 0.589 120.662 120.300 -0.379 0.000 2.345 174 Y HA 0.626 5.155 4.550 -0.035 0.000 0.331 174 Y C 0.193 175.768 175.900 -0.541 0.000 0.959 174 Y CA -1.060 56.754 58.100 -0.475 0.000 1.204 174 Y CB 1.211 39.268 38.460 -0.671 0.000 1.135 174 Y HN 0.741 nan 8.280 nan 0.000 0.477 175 A N 6.626 128.915 122.820 -0.885 0.000 2.310 175 A HA 0.318 4.617 4.320 -0.035 0.000 0.300 175 A C -0.931 175.991 177.584 -1.104 0.000 1.269 175 A CA -0.515 51.081 52.037 -0.736 0.000 0.909 175 A CB -0.376 18.399 19.000 -0.375 0.000 1.144 175 A HN 0.856 nan 8.150 nan 0.000 0.540 176 W N 2.521 123.413 121.300 -0.681 0.000 2.170 176 W HA 0.302 4.941 4.660 -0.035 0.000 0.342 176 W C 1.266 177.678 176.519 -0.178 0.000 1.294 176 W CA 0.668 57.790 57.345 -0.372 0.000 1.246 176 W CB 0.525 30.039 29.460 0.090 0.000 1.156 176 W HN 0.823 nan 8.180 nan 0.000 0.572 177 S N 0.769 116.607 115.700 0.231 0.000 2.589 177 S HA -0.011 4.438 4.470 -0.035 0.000 0.265 177 S C 1.132 175.830 174.600 0.164 0.000 1.342 177 S CA -0.058 58.240 58.200 0.165 0.000 1.005 177 S CB 1.251 64.564 63.200 0.188 0.000 0.909 177 S HN 0.719 nan 8.310 nan 0.000 0.555 178 E N 0.742 120.995 120.200 0.089 0.000 2.058 178 E HA -0.189 4.140 4.350 -0.035 0.000 0.194 178 E C 1.905 178.539 176.600 0.057 0.000 0.997 178 E CA 1.644 58.078 56.400 0.057 0.000 0.801 178 E CB -0.274 29.440 29.700 0.024 0.000 0.746 178 E HN 0.754 nan 8.360 nan 0.000 0.450 179 E N 0.180 120.414 120.200 0.057 0.000 2.110 179 E HA -0.191 4.138 4.350 -0.035 0.000 0.193 179 E C 1.872 178.486 176.600 0.024 0.000 0.988 179 E CA 1.379 57.789 56.400 0.016 0.000 0.804 179 E CB -0.266 29.434 29.700 0.000 0.000 0.745 179 E HN 0.487 nan 8.360 nan 0.000 0.458 180 E N -0.185 120.111 120.200 0.159 0.000 2.051 180 E HA -0.136 4.193 4.350 -0.035 0.000 0.192 180 E C 2.285 178.989 176.600 0.174 0.000 0.991 180 E CA 1.420 58.001 56.400 0.301 0.000 0.799 180 E CB -0.142 29.928 29.700 0.617 0.000 0.748 180 E HN 0.215 nan 8.360 nan 0.000 0.449 181 V N 1.453 121.459 119.914 0.152 0.000 2.358 181 V HA -0.243 3.856 4.120 -0.035 0.000 0.246 181 V C 2.069 178.127 176.094 -0.060 0.000 1.047 181 V CA 1.658 63.989 62.300 0.052 0.000 1.035 181 V CB -0.359 31.545 31.823 0.135 0.000 0.658 181 V HN 0.182 nan 8.190 nan 0.000 0.452 182 K N -0.146 120.233 120.400 -0.036 0.000 2.097 182 K HA -0.188 4.111 4.320 -0.035 0.000 0.206 182 K C 2.402 178.943 176.600 -0.098 0.000 1.049 182 K CA 1.496 57.742 56.287 -0.069 0.000 0.933 182 K CB -0.210 32.257 32.500 -0.055 0.000 0.717 182 K HN 0.308 nan 8.250 nan 0.000 0.442 183 R N 1.163 121.597 120.500 -0.111 0.000 2.075 183 R HA -0.056 4.263 4.340 -0.035 0.000 0.232 183 R C 2.165 178.423 176.300 -0.071 0.000 1.126 183 R CA 1.052 57.059 56.100 -0.156 0.000 0.963 183 R CB -0.140 29.929 30.300 -0.386 0.000 0.858 183 R HN 0.105 nan 8.270 nan 0.000 0.435 184 I N 0.757 121.288 120.570 -0.065 0.000 2.179 184 I HA -0.241 3.908 4.170 -0.035 0.000 0.242 184 I C 2.540 178.516 176.117 -0.234 0.000 1.088 184 I CA 1.332 62.515 61.300 -0.194 0.000 1.357 184 I CB -0.350 37.282 38.000 -0.612 0.000 1.051 184 I HN 0.297 nan 8.210 nan 0.000 0.409 185 A N 0.662 123.349 122.820 -0.223 0.000 1.902 185 A HA -0.249 4.050 4.320 -0.035 0.000 0.217 185 A C 2.419 179.923 177.584 -0.133 0.000 1.181 185 A CA 2.220 54.160 52.037 -0.162 0.000 0.623 185 A CB -1.097 17.832 19.000 -0.119 0.000 0.818 185 A HN 0.457 nan 8.150 nan 0.000 0.443 186 E N 0.055 120.184 120.200 -0.119 0.000 2.077 186 E HA -0.095 4.234 4.350 -0.035 0.000 0.193 186 E C 1.951 178.468 176.600 -0.138 0.000 0.989 186 E CA 1.368 57.697 56.400 -0.118 0.000 0.800 186 E CB -0.863 28.776 29.700 -0.101 0.000 0.746 186 E HN 0.636 nan 8.360 nan 0.000 0.452 187 L N -0.307 120.860 121.223 -0.092 0.000 2.056 187 L HA -0.159 4.160 4.340 -0.035 0.000 0.207 187 L C 2.861 179.701 176.870 -0.050 0.000 1.078 187 L CA 1.257 56.083 54.840 -0.023 0.000 0.749 187 L CB -0.396 41.695 42.059 0.053 0.000 0.901 187 L HN 0.458 nan 8.230 nan 0.000 0.433 188 C N -0.360 118.859 119.300 -0.134 0.000 2.453 188 C HA -0.116 4.323 4.460 -0.035 0.000 0.277 188 C C 3.144 177.878 174.990 -0.428 0.000 1.262 188 C CA 0.752 59.655 59.018 -0.191 0.000 1.718 188 C CB -0.934 26.713 27.740 -0.156 0.000 2.031 188 C HN 0.617 nan 8.230 nan 0.000 0.480 189 A N 0.350 122.868 122.820 -0.503 0.000 1.933 189 A HA -0.237 4.063 4.320 -0.035 0.000 0.218 189 A C 2.202 179.296 177.584 -0.817 0.000 1.175 189 A CA 2.044 53.497 52.037 -0.972 0.000 0.628 189 A CB -0.617 18.096 19.000 -0.478 0.000 0.814 189 A HN 0.703 nan 8.150 nan 0.000 0.444 190 K N -1.239 118.855 120.400 -0.510 0.000 2.103 190 K HA -0.192 4.107 4.320 -0.035 0.000 0.207 190 K C 1.025 177.233 176.600 -0.654 0.000 1.048 190 K CA 1.600 57.571 56.287 -0.528 0.000 0.930 190 K CB -0.193 31.980 32.500 -0.545 0.000 0.716 190 K HN 0.654 nan 8.250 nan 0.000 0.444 191 H N 0.194 119.064 119.070 -0.334 0.000 2.542 191 H HA 0.149 4.684 4.556 -0.035 0.000 0.283 191 H C -0.228 174.898 175.328 -0.337 0.000 1.059 191 H CA 0.110 56.001 56.048 -0.261 0.000 1.162 191 H CB 0.642 30.299 29.762 -0.176 0.000 1.539 191 H HN 0.286 nan 8.280 nan 0.000 0.543 192 Q N 0.210 119.657 119.800 -0.588 0.000 2.468 192 Q HA -0.128 4.191 4.340 -0.035 0.000 0.289 192 Q C -0.741 175.036 176.000 -0.372 0.000 1.299 192 Q CA 0.245 55.549 55.803 -0.832 0.000 0.838 192 Q CB -1.606 26.990 28.738 -0.237 0.000 1.195 192 Q HN 0.099 nan 8.270 nan 0.000 0.456 193 V N 1.275 120.972 119.914 -0.361 0.000 2.435 193 V HA 0.364 4.463 4.120 -0.035 0.000 0.290 193 V C 0.094 176.230 176.094 0.069 0.000 1.030 193 V CA -0.862 61.397 62.300 -0.069 0.000 0.881 193 V CB 1.597 33.377 31.823 -0.071 0.000 0.983 193 V HN 0.313 nan 8.190 nan 0.000 0.445 194 L N 5.961 127.288 121.223 0.174 0.000 2.361 194 L HA 0.388 4.707 4.340 -0.035 0.000 0.278 194 L C -0.409 176.512 176.870 0.084 0.000 1.113 194 L CA 0.106 55.052 54.840 0.177 0.000 0.849 194 L CB 0.810 42.911 42.059 0.069 0.000 1.155 194 L HN 0.628 nan 8.230 nan 0.000 0.452 195 L N 7.263 128.533 121.223 0.078 0.000 2.268 195 L HA 0.448 4.767 4.340 -0.035 0.000 0.289 195 L C -0.768 176.136 176.870 0.056 0.000 1.064 195 L CA 0.060 54.919 54.840 0.031 0.000 0.824 195 L CB 0.310 42.359 42.059 -0.016 0.000 1.202 195 L HN 0.408 nan 8.230 nan 0.000 0.433 196 I N 4.107 124.714 120.570 0.062 0.000 2.307 196 I HA 0.244 4.393 4.170 -0.035 0.000 0.289 196 I C 0.358 176.536 176.117 0.103 0.000 1.021 196 I CA -0.099 61.243 61.300 0.070 0.000 1.224 196 I CB 0.844 38.865 38.000 0.035 0.000 1.376 196 I HN 0.588 nan 8.210 nan 0.000 0.470 197 S N 5.297 121.082 115.700 0.141 0.000 2.461 197 S HA 0.191 4.640 4.470 -0.035 0.000 0.322 197 S C -0.318 174.343 174.600 0.103 0.000 1.063 197 S CA -0.602 57.709 58.200 0.186 0.000 1.120 197 S CB 0.249 63.594 63.200 0.242 0.000 0.968 197 S HN 0.530 nan 8.310 nan 0.000 0.467 198 D N 4.066 124.507 120.400 0.070 0.000 2.365 198 D HA 0.160 4.779 4.640 -0.035 0.000 0.237 198 D C 0.197 176.529 176.300 0.053 0.000 1.190 198 D CA -0.123 53.930 54.000 0.088 0.000 0.867 198 D CB 0.747 41.664 40.800 0.195 0.000 1.050 198 D HN 0.659 nan 8.370 nan 0.000 0.491 199 E N 3.463 123.695 120.200 0.054 0.000 2.496 199 E HA 0.133 4.462 4.350 -0.035 0.000 0.202 199 E C 1.525 178.142 176.600 0.028 0.000 1.021 199 E CA -0.241 56.180 56.400 0.035 0.000 1.015 199 E CB 0.603 30.335 29.700 0.053 0.000 1.102 199 E HN 0.558 nan 8.360 nan 0.000 0.452 200 I N 0.908 121.465 120.570 -0.020 0.000 2.454 200 I HA -0.236 3.914 4.170 -0.035 0.000 0.254 200 I C 1.302 177.268 176.117 -0.252 0.000 1.156 200 I CA 1.104 62.324 61.300 -0.134 0.000 1.433 200 I CB 0.150 38.013 38.000 -0.227 0.000 1.082 200 I HN 0.343 nan 8.210 nan 0.000 0.432 201 H N -0.576 118.450 119.070 -0.074 0.000 2.526 201 H HA 0.181 4.716 4.556 -0.034 0.000 0.274 201 H C 1.964 177.272 175.328 -0.034 0.000 0.999 201 H CA 0.675 56.671 56.048 -0.088 0.000 1.157 201 H CB 0.182 29.841 29.762 -0.173 0.000 1.407 201 H HN 0.378 nan 8.280 nan 0.000 0.568 202 G N 0.628 109.471 108.800 0.071 0.000 2.471 202 G HA2 -0.180 3.759 3.960 -0.035 0.000 0.219 202 G HA3 -0.180 3.759 3.960 -0.035 0.000 0.219 202 G C 1.038 176.022 174.900 0.140 0.000 1.125 202 G CA 0.329 45.443 45.100 0.023 0.000 0.775 202 G HN 0.310 nan 8.290 nan 0.000 0.548 203 D N 0.045 120.608 120.400 0.272 0.000 2.340 203 D HA 0.081 4.700 4.640 -0.035 0.000 0.220 203 D C 1.383 177.818 176.300 0.225 0.000 1.039 203 D CA 0.160 54.392 54.000 0.386 0.000 0.866 203 D CB 0.477 41.574 40.800 0.495 0.000 0.913 203 D HN 0.303 nan 8.370 nan 0.000 0.523 204 L N 1.053 122.369 121.223 0.154 0.000 3.062 204 L HA 0.189 4.508 4.340 -0.035 0.000 0.255 204 L C -0.176 176.726 176.870 0.054 0.000 1.274 204 L CA -0.254 54.657 54.840 0.117 0.000 1.047 204 L CB 1.065 43.213 42.059 0.149 0.000 1.402 204 L HN -0.294 nan 8.230 nan 0.000 0.550 205 V N 1.377 121.318 119.914 0.045 0.000 2.479 205 V HA 0.023 4.122 4.120 -0.035 0.000 0.281 205 V C 1.245 177.327 176.094 -0.020 0.000 1.031 205 V CA 0.243 62.535 62.300 -0.014 0.000 1.038 205 V CB 1.445 33.260 31.823 -0.014 0.000 0.981 205 V HN 0.422 nan 8.190 nan 0.000 0.478 206 L N 3.635 124.820 121.223 -0.063 0.000 2.556 206 L HA 0.109 4.428 4.340 -0.035 0.000 0.226 206 L C 1.479 178.312 176.870 -0.063 0.000 1.089 206 L CA 0.262 55.063 54.840 -0.066 0.000 0.864 206 L CB -0.025 41.966 42.059 -0.113 0.000 1.067 206 L HN 0.851 nan 8.230 nan 0.000 0.477 207 T N -3.955 110.560 114.554 -0.065 0.000 2.814 207 T HA 0.101 4.430 4.350 -0.035 0.000 0.284 207 T C 0.123 174.804 174.700 -0.032 0.000 0.998 207 T CA -0.566 61.505 62.100 -0.047 0.000 0.935 207 T CB 1.240 70.080 68.868 -0.046 0.000 1.167 207 T HN -0.166 nan 8.240 nan 0.000 0.545 208 D N 0.753 121.140 120.400 -0.023 0.000 3.057 208 D HA 0.267 4.886 4.640 -0.035 0.000 0.246 208 D C -0.221 176.072 176.300 -0.013 0.000 1.238 208 D CA -0.262 53.729 54.000 -0.016 0.000 0.949 208 D CB -0.431 40.362 40.800 -0.012 0.000 1.086 208 D HN 0.540 nan 8.370 nan 0.000 0.487 209 E N -0.177 120.013 120.200 -0.017 0.000 2.445 209 E HA 0.518 4.847 4.350 -0.035 0.000 0.273 209 E C -1.139 175.457 176.600 -0.007 0.000 0.961 209 E CA -1.007 55.383 56.400 -0.017 0.000 0.807 209 E CB 1.816 31.495 29.700 -0.035 0.000 1.362 209 E HN -0.016 nan 8.360 nan 0.000 0.453 210 D N 0.228 120.625 120.400 -0.004 0.000 2.570 210 D HA 0.353 4.972 4.640 -0.035 0.000 0.244 210 D C -0.940 175.345 176.300 -0.024 0.000 1.178 210 D CA -0.721 53.294 54.000 0.025 0.000 0.881 210 D CB 1.418 42.257 40.800 0.065 0.000 1.453 210 D HN 0.479 nan 8.370 nan 0.000 0.447 211 I N -1.353 119.183 120.570 -0.058 0.000 2.882 211 I HA 0.439 4.588 4.170 -0.035 0.000 0.286 211 I C -0.186 175.869 176.117 -0.104 0.000 1.139 211 I CA -0.155 61.074 61.300 -0.119 0.000 1.379 211 I CB 0.976 38.844 38.000 -0.220 0.000 1.410 211 I HN 0.079 nan 8.210 nan 0.000 0.594 212 T N 5.237 119.746 114.554 -0.076 0.000 2.874 212 T HA 0.401 4.730 4.350 -0.035 0.000 0.321 212 T C -2.412 172.200 174.700 -0.147 0.000 1.075 212 T CA -1.040 61.005 62.100 -0.093 0.000 0.966 212 T CB 0.824 69.678 68.868 -0.024 0.000 1.001 212 T HN 0.489 nan 8.240 nan 0.000 0.476 213 P HA 0.216 nan 4.420 nan 0.000 0.268 213 P C 0.676 177.743 177.300 -0.388 0.000 1.205 213 P CA -0.241 62.605 63.100 -0.423 0.000 0.771 213 P CB 0.605 31.736 31.700 -0.948 0.000 0.858 214 A N 3.693 126.415 122.820 -0.164 0.000 1.940 214 A HA -0.214 4.086 4.320 -0.035 0.000 0.219 214 A C 1.649 179.161 177.584 -0.120 0.000 1.176 214 A CA 1.736 53.731 52.037 -0.070 0.000 0.631 214 A CB -1.687 17.345 19.000 0.054 0.000 0.814 214 A HN 0.700 nan 8.150 nan 0.000 0.446 215 F N 1.092 121.029 119.950 -0.021 0.000 2.494 215 F HA -0.037 4.469 4.527 -0.035 0.000 0.298 215 F C 1.861 177.621 175.800 -0.067 0.000 1.106 215 F CA 1.463 59.410 58.000 -0.088 0.000 1.452 215 F CB -1.658 37.364 39.000 0.037 0.000 1.085 215 F HN 0.172 nan 8.300 nan 0.000 0.569 216 T N -1.252 113.162 114.554 -0.232 0.000 3.100 216 T HA 0.183 4.512 4.350 -0.035 0.000 0.253 216 T C 0.781 175.418 174.700 -0.106 0.000 1.118 216 T CA 0.285 62.324 62.100 -0.101 0.000 1.058 216 T CB -1.258 67.498 68.868 -0.187 0.000 0.953 216 T HN 0.316 nan 8.240 nan 0.000 0.515 217 V N -0.141 119.685 119.914 -0.147 0.000 3.096 217 V HA 0.535 4.635 4.120 -0.035 0.000 0.306 217 V C 0.329 176.318 176.094 -0.174 0.000 1.088 217 V CA -0.877 61.344 62.300 -0.131 0.000 1.129 217 V CB -0.676 31.077 31.823 -0.116 0.000 1.014 217 V HN 0.563 nan 8.190 nan 0.000 0.486 218 D N 1.800 122.141 120.400 -0.099 0.000 2.449 218 D HA 0.005 4.624 4.640 -0.035 0.000 0.236 218 D C 0.387 176.648 176.300 -0.063 0.000 1.149 218 D CA 0.620 54.588 54.000 -0.054 0.000 0.878 218 D CB -0.102 40.710 40.800 0.019 0.000 1.198 218 D HN 0.882 nan 8.370 nan 0.000 0.446 219 W N -0.763 120.565 121.300 0.046 0.000 2.480 219 W HA -0.027 4.612 4.660 -0.035 0.000 0.257 219 W C 2.542 179.086 176.519 0.041 0.000 1.235 219 W CA 1.170 58.538 57.345 0.039 0.000 1.218 219 W CB -0.138 29.348 29.460 0.042 0.000 1.131 219 W HN 0.771 nan 8.180 nan 0.000 0.606 220 D N -2.015 118.522 120.400 0.229 0.000 2.310 220 D HA 0.007 4.626 4.640 -0.035 0.000 0.212 220 D C 1.595 177.989 176.300 0.157 0.000 0.965 220 D CA 1.039 55.136 54.000 0.161 0.000 0.879 220 D CB -0.269 40.582 40.800 0.085 0.000 0.921 220 D HN 0.229 nan 8.370 nan 0.000 0.510 221 A N -0.946 121.952 122.820 0.129 0.000 2.377 221 A HA 0.298 4.597 4.320 -0.035 0.000 0.209 221 A C 1.774 179.437 177.584 0.133 0.000 1.359 221 A CA 0.186 52.311 52.037 0.146 0.000 1.026 221 A CB -0.029 18.978 19.000 0.013 0.000 1.224 221 A HN 0.159 nan 8.150 nan 0.000 0.528 222 K N 0.790 121.169 120.400 -0.035 0.000 2.211 222 K HA -0.127 4.173 4.320 -0.035 0.000 0.204 222 K C 0.859 177.333 176.600 -0.210 0.000 1.047 222 K CA 1.262 57.377 56.287 -0.286 0.000 0.935 222 K CB -0.101 31.883 32.500 -0.859 0.000 0.728 222 K HN 0.399 nan 8.250 nan 0.000 0.452 223 N N -0.502 118.185 118.700 -0.021 0.000 2.550 223 N HA -0.121 4.598 4.740 -0.035 0.000 0.186 223 N C 0.394 175.662 175.510 -0.405 0.000 1.110 223 N CA 0.779 53.729 53.050 -0.166 0.000 0.912 223 N CB 0.029 38.413 38.487 -0.171 0.000 0.968 223 N HN 0.320 nan 8.380 nan 0.000 0.448 224 W N 0.821 122.052 121.300 -0.114 0.000 3.220 224 W HA 0.206 4.845 4.660 -0.035 0.000 0.328 224 W C 0.560 176.998 176.519 -0.135 0.000 1.205 224 W CA -0.370 56.901 57.345 -0.124 0.000 1.773 224 W CB 0.260 29.660 29.460 -0.099 0.000 1.086 224 W HN -0.274 nan 8.180 nan 0.000 0.622 225 V N -1.145 118.771 119.914 0.003 0.000 2.715 225 V HA 0.844 4.943 4.120 -0.035 0.000 0.310 225 V C -0.661 175.406 176.094 -0.044 0.000 1.054 225 V CA -1.195 61.098 62.300 -0.011 0.000 0.928 225 V CB 1.915 33.723 31.823 -0.024 0.000 1.007 225 V HN -0.282 nan 8.190 nan 0.000 0.437 226 V N 3.103 123.030 119.914 0.021 0.000 2.577 226 V HA 0.562 4.661 4.120 -0.035 0.000 0.303 226 V C 0.075 176.240 176.094 0.119 0.000 1.042 226 V CA -0.163 62.173 62.300 0.060 0.000 0.872 226 V CB 1.954 33.832 31.823 0.091 0.000 0.998 226 V HN 1.058 nan 8.190 nan 0.000 0.423 227 S N 5.504 121.307 115.700 0.172 0.000 2.462 227 S HA 0.749 5.198 4.470 -0.035 0.000 0.294 227 S C -0.563 174.159 174.600 0.202 0.000 1.144 227 S CA -0.484 57.849 58.200 0.222 0.000 1.088 227 S CB 0.955 64.394 63.200 0.397 0.000 1.009 227 S HN 0.512 nan 8.310 nan 0.000 0.484 228 L N 4.892 126.213 121.223 0.164 0.000 2.333 228 L HA 0.694 5.014 4.340 -0.035 0.000 0.280 228 L C -0.350 176.598 176.870 0.129 0.000 1.004 228 L CA -0.657 54.266 54.840 0.137 0.000 0.820 228 L CB 1.161 43.279 42.059 0.098 0.000 1.247 228 L HN 0.645 nan 8.230 nan 0.000 0.416 229 I N -0.183 120.472 120.570 0.142 0.000 3.145 229 I HA 0.916 5.065 4.170 -0.035 0.000 0.313 229 I C -0.620 175.585 176.117 0.146 0.000 1.122 229 I CA -0.577 60.816 61.300 0.155 0.000 0.987 229 I CB 2.447 40.573 38.000 0.211 0.000 1.236 229 I HN 0.537 nan 8.210 nan 0.000 0.453 230 S N 1.557 117.357 115.700 0.165 0.000 2.565 230 S HA 0.556 5.005 4.470 -0.035 0.000 0.274 230 S C -2.567 172.113 174.600 0.133 0.000 1.144 230 S CA -0.767 57.512 58.200 0.132 0.000 0.849 230 S CB 1.996 65.217 63.200 0.035 0.000 1.103 230 S HN 0.661 nan 8.310 nan 0.000 0.455 231 P HA 0.112 nan 4.420 nan 0.000 0.245 231 P C 0.722 178.060 177.300 0.065 0.000 1.212 231 P CA 0.176 63.257 63.100 -0.031 0.000 0.774 231 P CB -0.409 31.037 31.700 -0.422 0.000 0.999 235 F N 1.918 121.931 119.950 0.105 0.000 2.682 235 F HA 0.503 5.009 4.527 -0.035 0.000 0.308 235 F C 0.919 176.663 175.800 -0.093 0.000 1.093 235 F CA -0.540 57.414 58.000 -0.077 0.000 1.244 235 F CB 0.271 39.079 39.000 -0.321 0.000 1.052 235 F HN 0.084 nan 8.300 nan 0.000 0.573 236 N N 1.307 120.113 118.700 0.176 0.000 2.771 236 N HA -0.192 4.527 4.740 -0.035 0.000 0.249 236 N C -0.798 174.734 175.510 0.037 0.000 1.069 236 N CA 0.360 53.482 53.050 0.121 0.000 0.688 236 N CB -1.387 37.192 38.487 0.153 0.000 0.928 236 N HN 0.372 nan 8.380 nan 0.000 0.551 237 L N -0.629 120.612 121.223 0.031 0.000 3.193 237 L HA 0.463 4.782 4.340 -0.035 0.000 0.305 237 L C 1.649 178.516 176.870 -0.005 0.000 1.299 237 L CA 0.219 55.047 54.840 -0.020 0.000 0.904 237 L CB 0.089 42.114 42.059 -0.058 0.000 1.331 237 L HN 0.285 nan 8.230 nan 0.000 0.588 238 A N 0.678 123.509 122.820 0.017 0.000 1.948 238 A HA -0.158 4.141 4.320 -0.035 0.000 0.220 238 A C 2.179 179.794 177.584 0.053 0.000 1.177 238 A CA 2.112 54.175 52.037 0.044 0.000 0.636 238 A CB -0.095 18.931 19.000 0.042 0.000 0.815 238 A HN 0.497 nan 8.150 nan 0.000 0.449 239 A N -1.463 121.327 122.820 -0.049 0.000 2.275 239 A HA 0.401 4.700 4.320 -0.035 0.000 0.212 239 A C 1.721 179.068 177.584 -0.395 0.000 1.201 239 A CA 0.665 52.563 52.037 -0.231 0.000 0.843 239 A CB -0.356 18.534 19.000 -0.183 0.000 0.873 239 A HN 0.524 nan 8.150 nan 0.000 0.492 240 L N -0.431 120.683 121.223 -0.183 0.000 2.156 240 L HA 0.005 4.324 4.340 -0.035 0.000 0.208 240 L C 0.651 177.493 176.870 -0.047 0.000 1.095 240 L CA 1.886 56.640 54.840 -0.143 0.000 0.770 240 L CB -0.851 41.156 42.059 -0.087 0.000 0.914 240 L HN 0.681 nan 8.230 nan 0.000 0.439 241 H N -1.645 117.410 119.070 -0.024 0.000 2.819 241 H HA -0.075 4.463 4.556 -0.030 0.000 0.323 241 H C -0.030 175.309 175.328 0.018 0.000 1.243 241 H CA -0.075 55.962 56.048 -0.019 0.000 1.163 241 H CB -1.757 27.998 29.762 -0.011 0.000 1.493 241 H HN 0.534 nan 8.280 nan 0.000 0.434 242 A N 0.903 123.787 122.820 0.105 0.000 2.343 242 A HA 0.908 5.207 4.320 -0.035 0.000 0.308 242 A C -0.352 177.220 177.584 -0.021 0.000 1.092 242 A CA 0.276 52.374 52.037 0.102 0.000 0.751 242 A CB 1.720 20.862 19.000 0.237 0.000 1.203 242 A HN 0.740 nan 8.150 nan 0.000 0.452 243 A N 0.335 123.035 122.820 -0.201 0.000 2.568 243 A HA 0.844 5.143 4.320 -0.035 0.000 0.291 243 A C -1.124 176.446 177.584 -0.022 0.000 1.159 243 A CA -0.255 51.730 52.037 -0.087 0.000 0.679 243 A CB 1.015 19.920 19.000 -0.159 0.000 1.285 243 A HN 2.110 nan 8.150 nan 0.000 0.428 244 C N 0.063 119.424 119.300 0.101 0.000 2.701 244 C HA 0.780 5.219 4.460 -0.035 0.000 0.336 244 C C -0.034 175.071 174.990 0.191 0.000 1.123 244 C CA 0.331 59.490 59.018 0.236 0.000 1.326 244 C CB 0.415 28.380 27.740 0.375 0.000 1.833 244 C HN 1.698 nan 8.230 nan 0.000 0.473 245 A N 5.668 128.633 122.820 0.242 0.000 2.301 245 A HA 0.818 5.117 4.320 -0.035 0.000 0.312 245 A C -0.700 177.017 177.584 0.221 0.000 1.182 245 A CA -0.377 51.813 52.037 0.256 0.000 0.826 245 A CB 0.368 19.605 19.000 0.396 0.000 1.134 245 A HN 0.837 nan 8.150 nan 0.000 0.501 246 I N 3.206 123.885 120.570 0.181 0.000 2.382 246 I HA 0.347 4.497 4.170 -0.035 0.000 0.285 246 I C -0.927 175.235 176.117 0.076 0.000 1.007 246 I CA 0.056 61.437 61.300 0.135 0.000 1.142 246 I CB 1.088 39.138 38.000 0.083 0.000 1.289 246 I HN 0.474 nan 8.210 nan 0.000 0.453 247 I N 8.254 128.830 120.570 0.011 0.000 2.521 247 I HA 0.263 4.412 4.170 -0.035 0.000 0.277 247 I C -1.947 173.958 176.117 -0.355 0.000 1.054 247 I CA -1.477 59.752 61.300 -0.119 0.000 1.117 247 I CB 1.793 39.770 38.000 -0.038 0.000 1.217 247 I HN 0.268 nan 8.210 nan 0.000 0.469 248 P HA -0.133 nan 4.420 nan 0.000 0.218 248 P C 0.391 177.428 177.300 -0.438 0.000 1.149 248 P CA 1.079 63.417 63.100 -1.271 0.000 0.817 248 P CB 0.071 30.865 31.700 -1.509 0.000 0.785 249 N N 0.281 118.814 118.700 -0.278 0.000 2.405 249 N HA 0.022 4.741 4.740 -0.035 0.000 0.260 249 N C -1.585 173.856 175.510 -0.115 0.000 1.152 249 N CA -1.942 51.015 53.050 -0.154 0.000 0.948 249 N CB 0.514 38.858 38.487 -0.237 0.000 1.111 249 N HN -0.031 nan 8.380 nan 0.000 0.485 250 P HA -0.112 nan 4.420 nan 0.000 0.218 250 P C 0.801 178.071 177.300 -0.051 0.000 1.149 250 P CA 0.856 63.940 63.100 -0.027 0.000 0.817 250 P CB 0.453 32.153 31.700 -0.000 0.000 0.785 251 D N -0.429 119.923 120.400 -0.080 0.000 2.097 251 D HA -0.123 4.496 4.640 -0.035 0.000 0.197 251 D C 1.923 178.176 176.300 -0.079 0.000 0.984 251 D CA 0.836 54.788 54.000 -0.080 0.000 0.826 251 D CB -0.269 40.467 40.800 -0.105 0.000 0.973 251 D HN -0.079 nan 8.370 nan 0.000 0.460 252 L N 1.535 122.675 121.223 -0.140 0.000 2.046 252 L HA -0.102 4.217 4.340 -0.035 0.000 0.208 252 L C 2.623 179.471 176.870 -0.036 0.000 1.077 252 L CA 1.425 56.169 54.840 -0.162 0.000 0.747 252 L CB -0.606 41.253 42.059 -0.333 0.000 0.896 252 L HN -0.051 nan 8.230 nan 0.000 0.432 253 R N -0.883 119.581 120.500 -0.060 0.000 2.081 253 R HA -0.170 4.149 4.340 -0.035 0.000 0.235 253 R C 2.174 178.448 176.300 -0.042 0.000 1.131 253 R CA 1.426 57.506 56.100 -0.033 0.000 0.960 253 R CB -0.343 29.944 30.300 -0.022 0.000 0.856 253 R HN 0.447 nan 8.270 nan 0.000 0.436 254 A N 0.981 123.776 122.820 -0.041 0.000 1.902 254 A HA -0.171 4.128 4.320 -0.035 0.000 0.217 254 A C 2.176 179.715 177.584 -0.074 0.000 1.181 254 A CA 1.538 53.538 52.037 -0.062 0.000 0.623 254 A CB -0.413 18.556 19.000 -0.052 0.000 0.818 254 A HN 0.370 nan 8.150 nan 0.000 0.443 255 R N -0.525 119.967 120.500 -0.013 0.000 2.075 255 R HA 0.003 4.322 4.340 -0.035 0.000 0.232 255 R C 2.487 178.730 176.300 -0.095 0.000 1.126 255 R CA 1.138 57.243 56.100 0.008 0.000 0.963 255 R CB -0.468 29.947 30.300 0.192 0.000 0.858 255 R HN 0.499 nan 8.270 nan 0.000 0.435 256 A N 1.247 124.037 122.820 -0.050 0.000 1.902 256 A HA -0.240 4.059 4.320 -0.035 0.000 0.217 256 A C 2.075 179.167 177.584 -0.821 0.000 1.181 256 A CA 1.587 53.388 52.037 -0.394 0.000 0.623 256 A CB -0.484 18.386 19.000 -0.217 0.000 0.818 256 A HN 0.427 nan 8.150 nan 0.000 0.443 257 E N -0.322 119.596 120.200 -0.471 0.000 2.058 257 E HA -0.293 4.036 4.350 -0.035 0.000 0.194 257 E C 1.984 178.523 176.600 -0.103 0.000 0.997 257 E CA 1.634 57.890 56.400 -0.241 0.000 0.801 257 E CB -0.145 29.492 29.700 -0.105 0.000 0.746 257 E HN 0.666 nan 8.360 nan 0.000 0.450 258 E N 0.575 120.667 120.200 -0.181 0.000 2.077 258 E HA -0.193 4.136 4.350 -0.035 0.000 0.193 258 E C 2.020 178.632 176.600 0.021 0.000 0.989 258 E CA 1.944 58.282 56.400 -0.103 0.000 0.800 258 E CB -0.314 29.317 29.700 -0.115 0.000 0.746 258 E HN 0.268 nan 8.360 nan 0.000 0.452 259 S N -0.630 115.015 115.700 -0.092 0.000 2.382 259 S HA -0.135 4.314 4.470 -0.035 0.000 0.228 259 S C 1.832 176.557 174.600 0.208 0.000 1.027 259 S CA 0.988 59.167 58.200 -0.034 0.000 0.991 259 S CB -0.629 62.459 63.200 -0.188 0.000 0.823 259 S HN 0.263 nan 8.310 nan 0.000 0.469 260 F N 1.340 121.395 119.950 0.175 0.000 2.146 260 F HA 0.208 4.715 4.527 -0.034 0.000 0.298 260 F C 2.031 177.911 175.800 0.133 0.000 1.096 260 F CA -0.433 57.658 58.000 0.151 0.000 1.275 260 F CB -1.545 37.568 39.000 0.189 0.000 1.008 260 F HN 0.176 nan 8.300 nan 0.000 0.480 261 F N 0.105 120.180 119.950 0.209 0.000 2.134 261 F HA -0.153 4.354 4.527 -0.033 0.000 0.299 261 F C 2.446 178.297 175.800 0.086 0.000 1.097 261 F CA 0.813 58.891 58.000 0.129 0.000 1.264 261 F CB -1.386 37.667 39.000 0.089 0.000 1.001 261 F HN -0.110 nan 8.300 nan 0.000 0.479 262 L N -0.532 120.834 121.223 0.238 0.000 2.079 262 L HA -0.226 4.094 4.340 -0.035 0.000 0.210 262 L C 2.541 179.468 176.870 0.095 0.000 1.081 262 L CA 1.319 56.235 54.840 0.127 0.000 0.752 262 L CB -0.898 41.209 42.059 0.081 0.000 0.896 262 L HN 0.172 nan 8.230 nan 0.000 0.433 263 A N -0.784 122.100 122.820 0.106 0.000 2.119 263 A HA 0.192 4.491 4.320 -0.035 0.000 0.216 263 A C 1.660 179.266 177.584 0.036 0.000 1.152 263 A CA 0.875 52.952 52.037 0.065 0.000 0.708 263 A CB -0.314 18.728 19.000 0.071 0.000 0.805 263 A HN 0.532 nan 8.150 nan 0.000 0.460 264 G N -0.201 108.621 108.800 0.036 0.000 2.171 264 G HA2 -0.224 3.715 3.960 -0.035 0.000 0.238 264 G HA3 -0.224 3.715 3.960 -0.035 0.000 0.238 264 G C 0.471 175.351 174.900 -0.033 0.000 1.039 264 G CA 0.387 45.489 45.100 0.002 0.000 0.759 264 G HN 1.367 nan 8.290 nan 0.000 0.501 265 I N -3.571 116.966 120.570 -0.055 0.000 4.050 265 I HA 0.557 4.706 4.170 -0.035 0.000 0.327 265 I C 1.317 177.369 176.117 -0.109 0.000 1.473 265 I CA 0.310 61.553 61.300 -0.095 0.000 1.124 265 I CB 0.533 38.436 38.000 -0.162 0.000 1.129 265 I HN 0.065 nan 8.210 nan 0.000 0.428 266 G N 0.714 109.374 108.800 -0.235 0.000 3.126 266 G HA2 0.155 4.094 3.960 -0.035 0.000 0.224 266 G HA3 0.155 4.094 3.960 -0.035 0.000 0.224 266 G C -0.067 174.638 174.900 -0.325 0.000 1.142 266 G CA 0.080 44.919 45.100 -0.436 0.000 0.759 266 G HN 0.298 nan 8.290 nan 0.000 0.550 267 E N 1.033 121.126 120.200 -0.179 0.000 2.199 267 E HA 0.483 4.812 4.350 -0.035 0.000 0.269 267 E C -2.669 173.843 176.600 -0.146 0.000 0.899 267 E CA -1.622 54.670 56.400 -0.180 0.000 0.772 267 E CB 2.505 32.141 29.700 -0.106 0.000 1.155 267 E HN 0.178 nan 8.360 nan 0.000 0.408 268 P HA 0.210 nan 4.420 nan 0.000 0.279 268 P C -0.513 176.698 177.300 -0.149 0.000 1.239 268 P CA -0.546 62.311 63.100 -0.404 0.000 0.789 268 P CB 0.514 31.774 31.700 -0.734 0.000 0.933 269 N N 2.125 120.795 118.700 -0.050 0.000 2.294 269 N HA -0.031 4.688 4.740 -0.035 0.000 0.248 269 N C 1.378 176.828 175.510 -0.100 0.000 1.300 269 N CA -0.519 52.495 53.050 -0.060 0.000 0.925 269 N CB -0.327 38.139 38.487 -0.034 0.000 1.188 269 N HN 0.439 nan 8.380 nan 0.000 0.512 270 L N -3.351 117.797 121.223 -0.126 0.000 2.450 270 L HA 0.067 4.386 4.340 -0.035 0.000 0.224 270 L C 0.879 177.659 176.870 -0.150 0.000 1.149 270 L CA 1.360 56.114 54.840 -0.143 0.000 0.816 270 L CB -0.477 41.387 42.059 -0.325 0.000 0.932 270 L HN 0.501 nan 8.230 nan 0.000 0.449 271 L N -0.479 120.656 121.223 -0.147 0.000 2.749 271 L HA 0.313 4.632 4.340 -0.035 0.000 0.242 271 L C 2.811 179.629 176.870 -0.087 0.000 1.103 271 L CA 0.450 55.214 54.840 -0.127 0.000 0.906 271 L CB -0.124 41.843 42.059 -0.155 0.000 1.228 271 L HN 0.179 nan 8.230 nan 0.000 0.517 272 A N 1.153 123.938 122.820 -0.059 0.000 1.917 272 A HA -0.206 4.093 4.320 -0.035 0.000 0.219 272 A C 2.102 179.707 177.584 0.036 0.000 1.182 272 A CA 1.624 53.674 52.037 0.022 0.000 0.633 272 A CB -0.357 18.714 19.000 0.117 0.000 0.819 272 A HN 0.222 nan 8.150 nan 0.000 0.448 273 I N 0.395 120.933 120.570 -0.055 0.000 2.141 273 I HA -0.108 4.041 4.170 -0.035 0.000 0.236 273 I C -0.291 175.845 176.117 0.032 0.000 1.071 273 I CA 1.279 62.574 61.300 -0.010 0.000 1.345 273 I CB -2.559 35.364 38.000 -0.129 0.000 1.066 273 I HN 0.218 nan 8.210 nan 0.000 0.406 274 P HA -0.130 nan 4.420 nan 0.000 0.216 274 P C 1.529 178.779 177.300 -0.084 0.000 1.150 274 P CA 2.085 65.160 63.100 -0.041 0.000 0.837 274 P CB 0.038 31.712 31.700 -0.045 0.000 0.786 275 A N 0.522 123.277 122.820 -0.108 0.000 1.898 275 A HA 0.020 4.319 4.320 -0.035 0.000 0.216 275 A C 2.516 179.940 177.584 -0.267 0.000 1.181 275 A CA 2.001 53.927 52.037 -0.185 0.000 0.620 275 A CB -1.509 17.384 19.000 -0.180 0.000 0.819 275 A HN 0.216 nan 8.150 nan 0.000 0.442 276 A N 0.036 122.745 122.820 -0.185 0.000 1.902 276 A HA -0.084 4.215 4.320 -0.035 0.000 0.217 276 A C 2.114 179.496 177.584 -0.336 0.000 1.181 276 A CA 1.516 53.368 52.037 -0.308 0.000 0.623 276 A CB -0.623 18.369 19.000 -0.013 0.000 0.818 276 A HN 0.494 nan 8.150 nan 0.000 0.443 277 I N -0.306 120.185 120.570 -0.131 0.000 2.226 277 I HA -0.296 3.853 4.170 -0.035 0.000 0.245 277 I C 2.979 179.016 176.117 -0.134 0.000 1.100 277 I CA 1.097 62.349 61.300 -0.080 0.000 1.374 277 I CB -0.361 37.638 38.000 -0.002 0.000 1.057 277 I HN 0.374 nan 8.210 nan 0.000 0.413 278 A N 0.754 123.460 122.820 -0.191 0.000 1.902 278 A HA -0.153 4.146 4.320 -0.035 0.000 0.217 278 A C 2.568 179.938 177.584 -0.357 0.000 1.181 278 A CA 1.801 53.711 52.037 -0.212 0.000 0.623 278 A CB -0.865 18.010 19.000 -0.209 0.000 0.818 278 A HN 0.425 nan 8.150 nan 0.000 0.443 279 A N -1.194 121.248 122.820 -0.630 0.000 1.865 279 A HA -0.149 4.151 4.320 -0.035 0.000 0.217 279 A C 2.079 179.150 177.584 -0.856 0.000 1.191 279 A CA 1.834 53.170 52.037 -1.168 0.000 0.623 279 A CB -0.854 17.122 19.000 -1.706 0.000 0.826 279 A HN 0.567 nan 8.150 nan 0.000 0.444 280 Y N 0.179 120.127 120.300 -0.586 0.000 2.457 280 Y HA 0.023 4.554 4.550 -0.031 0.000 0.292 280 Y C 2.368 178.292 175.900 0.040 0.000 1.125 280 Y CA 0.764 58.641 58.100 -0.371 0.000 1.254 280 Y CB -0.224 38.063 38.460 -0.290 0.000 1.012 280 Y HN 0.490 nan 8.280 nan 0.000 0.555 281 E N -0.352 119.923 120.200 0.124 0.000 2.102 281 E HA -0.053 4.276 4.350 -0.035 0.000 0.190 281 E C 0.905 177.630 176.600 0.209 0.000 0.971 281 E CA 0.886 57.396 56.400 0.183 0.000 0.821 281 E CB 0.093 29.851 29.700 0.096 0.000 0.777 281 E HN 0.526 nan 8.360 nan 0.000 0.460 282 E N -0.346 119.904 120.200 0.083 0.000 2.630 282 E HA 0.112 4.441 4.350 -0.035 0.000 0.218 282 E C 1.165 177.839 176.600 0.124 0.000 0.977 282 E CA -0.083 56.388 56.400 0.119 0.000 1.038 282 E CB 1.266 30.991 29.700 0.043 0.000 1.051 282 E HN 0.126 nan 8.360 nan 0.000 0.487 283 G N 0.209 109.051 108.800 0.070 0.000 3.042 283 G HA2 -0.096 3.843 3.960 -0.035 0.000 0.212 283 G HA3 -0.096 3.843 3.960 -0.035 0.000 0.212 283 G C 0.994 176.237 174.900 0.571 0.000 1.166 283 G CA -0.101 45.135 45.100 0.228 0.000 0.767 283 G HN 0.209 nan 8.290 nan 0.000 0.546 284 H N 1.329 120.770 119.070 0.618 0.000 2.319 284 H HA -0.088 4.448 4.556 -0.034 0.000 0.299 284 H C 1.763 177.304 175.328 0.355 0.000 1.092 284 H CA 1.631 57.952 56.048 0.455 0.000 1.302 284 H CB 0.113 30.020 29.762 0.240 0.000 1.373 284 H HN 0.253 nan 8.280 nan 0.000 0.497 285 D N -0.225 120.463 120.400 0.480 0.000 2.149 285 D HA -0.127 4.492 4.640 -0.035 0.000 0.201 285 D C 2.135 178.723 176.300 0.479 0.000 0.972 285 D CA 0.471 54.730 54.000 0.432 0.000 0.835 285 D CB -0.583 40.498 40.800 0.469 0.000 0.966 285 D HN 0.413 nan 8.370 nan 0.000 0.476 286 W N 1.282 122.708 121.300 0.210 0.000 2.381 286 W HA -0.136 4.505 4.660 -0.031 0.000 0.301 286 W C 2.025 178.634 176.519 0.151 0.000 1.205 286 W CA 0.733 58.047 57.345 -0.053 0.000 1.285 286 W CB -0.339 28.878 29.460 -0.405 0.000 1.133 286 W HN -0.050 nan 8.180 nan 0.000 0.521 287 L N 1.672 123.150 121.223 0.425 0.000 2.017 287 L HA -0.135 4.184 4.340 -0.035 0.000 0.208 287 L C 2.704 179.565 176.870 -0.015 0.000 1.073 287 L CA 2.436 57.381 54.840 0.175 0.000 0.745 287 L CB -1.256 41.021 42.059 0.363 0.000 0.894 287 L HN 0.095 nan 8.230 nan 0.000 0.432 288 R N -0.461 120.086 120.500 0.078 0.000 2.096 288 R HA -0.211 4.108 4.340 -0.035 0.000 0.240 288 R C 2.197 178.432 176.300 -0.108 0.000 1.139 288 R CA 2.152 58.258 56.100 0.010 0.000 0.952 288 R CB -0.277 30.065 30.300 0.070 0.000 0.854 288 R HN 0.558 nan 8.270 nan 0.000 0.436 289 E N 0.230 120.350 120.200 -0.133 0.000 2.047 289 E HA -0.208 4.121 4.350 -0.035 0.000 0.191 289 E C 2.053 178.201 176.600 -0.754 0.000 0.987 289 E CA 1.157 57.378 56.400 -0.298 0.000 0.799 289 E CB -0.187 29.479 29.700 -0.058 0.000 0.752 289 E HN 0.231 nan 8.360 nan 0.000 0.449 290 L N 2.016 122.657 121.223 -0.970 0.000 2.013 290 L HA -0.239 4.080 4.340 -0.035 0.000 0.212 290 L C 1.955 178.475 176.870 -0.582 0.000 1.073 290 L CA 1.940 56.114 54.840 -1.110 0.000 0.753 290 L CB -0.231 41.274 42.059 -0.923 0.000 0.890 290 L HN -0.081 nan 8.230 nan 0.000 0.432 291 K N -1.099 119.099 120.400 -0.335 0.000 2.152 291 K HA -0.237 4.062 4.320 -0.035 0.000 0.206 291 K C 2.187 178.693 176.600 -0.156 0.000 1.048 291 K CA 1.511 57.700 56.287 -0.162 0.000 0.933 291 K CB -0.171 32.277 32.500 -0.087 0.000 0.721 291 K HN 0.343 nan 8.250 nan 0.000 0.447 292 Q N 0.810 120.478 119.800 -0.220 0.000 2.123 292 Q HA -0.058 4.261 4.340 -0.035 0.000 0.199 292 Q C 1.858 177.748 176.000 -0.184 0.000 0.966 292 Q CA 1.081 56.785 55.803 -0.165 0.000 0.845 292 Q CB 0.005 28.652 28.738 -0.152 0.000 0.907 292 Q HN 0.053 nan 8.270 nan 0.000 0.439 293 V N 0.462 120.167 119.914 -0.347 0.000 2.295 293 V HA -0.265 3.834 4.120 -0.035 0.000 0.246 293 V C 2.261 178.297 176.094 -0.097 0.000 1.049 293 V CA 1.710 63.824 62.300 -0.310 0.000 1.024 293 V CB -0.599 30.823 31.823 -0.667 0.000 0.648 293 V HN 0.356 nan 8.190 nan 0.000 0.447 294 L N -0.743 120.444 121.223 -0.061 0.000 2.046 294 L HA -0.167 4.152 4.340 -0.035 0.000 0.208 294 L C 2.802 179.818 176.870 0.242 0.000 1.077 294 L CA 1.629 56.559 54.840 0.151 0.000 0.747 294 L CB -0.631 41.548 42.059 0.201 0.000 0.896 294 L HN 0.225 nan 8.230 nan 0.000 0.432 295 R N -0.014 120.558 120.500 0.120 0.000 2.081 295 R HA -0.167 4.152 4.340 -0.035 0.000 0.235 295 R C 1.929 178.319 176.300 0.151 0.000 1.131 295 R CA 1.614 57.790 56.100 0.125 0.000 0.960 295 R CB -0.389 29.931 30.300 0.033 0.000 0.856 295 R HN 0.370 nan 8.270 nan 0.000 0.436 296 D N 0.216 120.669 120.400 0.089 0.000 2.117 296 D HA -0.124 4.495 4.640 -0.035 0.000 0.197 296 D C 1.542 177.928 176.300 0.144 0.000 0.987 296 D CA 1.095 55.150 54.000 0.091 0.000 0.829 296 D CB -0.330 40.488 40.800 0.030 0.000 0.961 296 D HN 0.144 nan 8.370 nan 0.000 0.460 297 N N -0.034 118.747 118.700 0.135 0.000 2.106 297 N HA -0.094 4.625 4.740 -0.035 0.000 0.188 297 N C 1.774 177.376 175.510 0.154 0.000 1.029 297 N CA 0.491 53.609 53.050 0.114 0.000 0.848 297 N CB -0.611 37.904 38.487 0.047 0.000 1.007 297 N HN 0.177 nan 8.380 nan 0.000 0.423 298 F N 1.436 121.459 119.950 0.121 0.000 2.171 298 F HA -0.089 4.417 4.527 -0.035 0.000 0.300 298 F C 2.335 178.205 175.800 0.117 0.000 1.090 298 F CA 1.095 59.166 58.000 0.119 0.000 1.293 298 F CB -0.420 38.636 39.000 0.095 0.000 1.013 298 F HN 0.025 nan 8.300 nan 0.000 0.486 299 A N -0.947 122.050 122.820 0.295 0.000 1.902 299 A HA -0.271 4.028 4.320 -0.035 0.000 0.217 299 A C 2.030 179.723 177.584 0.182 0.000 1.181 299 A CA 1.685 53.841 52.037 0.200 0.000 0.623 299 A CB -1.418 17.674 19.000 0.154 0.000 0.818 299 A HN 0.520 nan 8.150 nan 0.000 0.443 300 Y N 0.521 120.883 120.300 0.104 0.000 2.114 300 Y HA -0.075 4.455 4.550 -0.033 0.000 0.284 300 Y C 2.677 178.648 175.900 0.120 0.000 1.143 300 Y CA 1.490 59.647 58.100 0.094 0.000 1.135 300 Y CB -0.546 37.942 38.460 0.046 0.000 0.980 300 Y HN 0.303 nan 8.280 nan 0.000 0.499 301 A N 0.668 123.605 122.820 0.196 0.000 1.908 301 A HA -0.213 4.086 4.320 -0.035 0.000 0.218 301 A C 2.295 179.939 177.584 0.101 0.000 1.181 301 A CA 1.975 54.082 52.037 0.116 0.000 0.627 301 A CB -0.692 18.352 19.000 0.073 0.000 0.818 301 A HN 0.557 nan 8.150 nan 0.000 0.445 302 R N -0.883 119.692 120.500 0.125 0.000 2.081 302 R HA -0.133 4.186 4.340 -0.035 0.000 0.235 302 R C 2.366 178.697 176.300 0.052 0.000 1.131 302 R CA 1.532 57.701 56.100 0.114 0.000 0.960 302 R CB -0.265 30.123 30.300 0.146 0.000 0.856 302 R HN 0.786 nan 8.270 nan 0.000 0.436 303 E N 0.026 120.235 120.200 0.015 0.000 2.047 303 E HA -0.195 4.134 4.350 -0.035 0.000 0.191 303 E C 1.723 178.281 176.600 -0.070 0.000 0.987 303 E CA 0.913 57.294 56.400 -0.031 0.000 0.799 303 E CB -0.073 29.602 29.700 -0.041 0.000 0.752 303 E HN 0.214 nan 8.360 nan 0.000 0.449 304 F N 1.304 121.077 119.950 -0.296 0.000 2.102 304 F HA -0.174 4.333 4.527 -0.033 0.000 0.298 304 F C 1.952 177.673 175.800 -0.131 0.000 1.105 304 F CA 1.435 59.258 58.000 -0.294 0.000 1.239 304 F CB -0.116 38.589 39.000 -0.492 0.000 0.991 304 F HN -0.003 nan 8.300 nan 0.000 0.474 305 L N -0.267 121.027 121.223 0.119 0.000 2.093 305 L HA -0.141 4.179 4.340 -0.035 0.000 0.208 305 L C 2.788 179.626 176.870 -0.054 0.000 1.085 305 L CA 0.967 55.842 54.840 0.058 0.000 0.755 305 L CB -1.184 40.951 42.059 0.127 0.000 0.904 305 L HN 0.239 nan 8.230 nan 0.000 0.435 306 A N 0.684 123.477 122.820 -0.045 0.000 1.908 306 A HA -0.249 4.050 4.320 -0.035 0.000 0.218 306 A C 2.589 180.113 177.584 -0.100 0.000 1.181 306 A CA 2.498 54.502 52.037 -0.055 0.000 0.627 306 A CB -0.620 18.360 19.000 -0.033 0.000 0.818 306 A HN 0.368 nan 8.150 nan 0.000 0.445 307 K N -0.847 119.460 120.400 -0.156 0.000 2.262 307 K HA 0.094 4.393 4.320 -0.035 0.000 0.200 307 K C 1.598 178.059 176.600 -0.232 0.000 1.049 307 K CA 1.409 57.591 56.287 -0.176 0.000 0.979 307 K CB -0.164 32.225 32.500 -0.186 0.000 0.773 307 K HN 0.524 nan 8.250 nan 0.000 0.474 308 E N -0.757 119.237 120.200 -0.343 0.000 2.434 308 E HA 0.144 4.473 4.350 -0.035 0.000 0.207 308 E C -0.417 176.053 176.600 -0.218 0.000 0.929 308 E CA 0.533 56.702 56.400 -0.386 0.000 1.001 308 E CB 1.539 30.734 29.700 -0.841 0.000 1.016 308 E HN 0.201 nan 8.360 nan 0.000 0.502 309 V N 3.474 123.296 119.914 -0.154 0.000 2.464 309 V HA 0.140 4.239 4.120 -0.035 0.000 0.255 309 V C -2.081 173.976 176.094 -0.062 0.000 0.946 309 V CA -0.825 61.437 62.300 -0.064 0.000 0.988 309 V CB 1.490 33.319 31.823 0.009 0.000 1.210 309 V HN -0.044 nan 8.190 nan 0.000 0.523 310 P HA -0.018 nan 4.420 nan 0.000 0.234 310 P C 1.255 178.512 177.300 -0.072 0.000 1.167 310 P CA 1.405 64.465 63.100 -0.066 0.000 0.763 310 P CB 0.396 32.057 31.700 -0.065 0.000 0.835 311 E N 0.437 120.590 120.200 -0.079 0.000 2.347 311 E HA 0.057 4.386 4.350 -0.035 0.000 0.196 311 E C 1.243 177.762 176.600 -0.136 0.000 1.008 311 E CA 0.980 57.317 56.400 -0.106 0.000 0.852 311 E CB -0.811 28.822 29.700 -0.112 0.000 0.783 311 E HN 0.339 nan 8.360 nan 0.000 0.505 312 V N -2.984 116.863 119.914 -0.111 0.000 3.019 312 V HA 0.873 4.972 4.120 -0.035 0.000 0.317 312 V C -0.749 175.296 176.094 -0.081 0.000 1.094 312 V CA -1.283 60.940 62.300 -0.129 0.000 1.000 312 V CB 2.164 33.919 31.823 -0.113 0.000 1.060 312 V HN 0.094 nan 8.190 nan 0.000 0.443 313 K N 2.259 122.609 120.400 -0.083 0.000 2.613 313 K HA 0.603 4.902 4.320 -0.035 0.000 0.248 313 K C -1.382 175.240 176.600 0.036 0.000 0.959 313 K CA -0.476 55.799 56.287 -0.020 0.000 0.855 313 K CB 1.532 34.020 32.500 -0.022 0.000 1.143 313 K HN 0.760 nan 8.250 nan 0.000 0.437 314 V N 6.156 126.119 119.914 0.082 0.000 2.446 314 V HA 0.172 4.271 4.120 -0.035 0.000 0.276 314 V C 0.539 176.743 176.094 0.183 0.000 1.030 314 V CA -0.455 61.938 62.300 0.154 0.000 1.033 314 V CB 0.205 32.133 31.823 0.176 0.000 0.993 314 V HN 0.651 nan 8.190 nan 0.000 0.477 315 L N 4.098 125.473 121.223 0.254 0.000 2.426 315 L HA 0.260 4.579 4.340 -0.035 0.000 0.271 315 L C 0.369 177.360 176.870 0.202 0.000 1.169 315 L CA -0.459 54.538 54.840 0.262 0.000 0.836 315 L CB 0.409 42.709 42.059 0.403 0.000 1.112 315 L HN 0.572 nan 8.230 nan 0.000 0.465 316 D N 1.849 122.331 120.400 0.137 0.000 2.417 316 D HA 0.201 4.821 4.640 -0.035 0.000 0.250 316 D C -0.005 176.338 176.300 0.073 0.000 1.166 316 D CA 0.355 54.404 54.000 0.081 0.000 0.881 316 D CB 0.977 41.807 40.800 0.050 0.000 1.164 316 D HN 0.569 nan 8.370 nan 0.000 0.467 317 S N 0.889 116.598 115.700 0.015 0.000 2.564 317 S HA 0.438 4.887 4.470 -0.035 0.000 0.274 317 S C 0.174 174.710 174.600 -0.108 0.000 1.124 317 S CA -0.946 57.243 58.200 -0.019 0.000 0.869 317 S CB 1.657 64.844 63.200 -0.021 0.000 1.105 317 S HN 0.355 nan 8.310 nan 0.000 0.472 318 N N 0.286 118.930 118.700 -0.093 0.000 2.184 318 N HA 0.429 5.148 4.740 -0.035 0.000 0.206 318 N C -0.170 175.239 175.510 -0.169 0.000 1.151 318 N CA 0.148 53.120 53.050 -0.131 0.000 0.878 318 N CB 0.794 39.229 38.487 -0.085 0.000 1.014 318 N HN 0.945 nan 8.380 nan 0.000 0.512 319 A N -0.040 122.668 122.820 -0.186 0.000 2.572 319 A HA 0.797 5.096 4.320 -0.035 0.000 0.295 319 A C -0.400 177.090 177.584 -0.156 0.000 1.072 319 A CA -0.084 51.859 52.037 -0.157 0.000 0.691 319 A CB 0.868 19.768 19.000 -0.165 0.000 1.291 319 A HN 1.243 nan 8.150 nan 0.000 0.404 320 S N -0.766 114.888 115.700 -0.076 0.000 3.646 320 S HA -0.107 4.342 4.470 -0.035 0.000 0.756 320 S C -0.135 174.551 174.600 0.144 0.000 1.075 320 S CA 0.809 58.972 58.200 -0.062 0.000 1.133 320 S CB -1.487 61.517 63.200 -0.328 0.000 0.627 320 S HN 2.275 nan 8.310 nan 0.000 0.435 321 Y N 0.611 121.052 120.300 0.235 0.000 2.532 321 Y HA 0.755 5.285 4.550 -0.033 0.000 0.283 321 Y C 0.257 176.315 175.900 0.263 0.000 1.181 321 Y CA -0.996 57.307 58.100 0.339 0.000 1.256 321 Y CB -0.150 38.450 38.460 0.233 0.000 1.112 321 Y HN 0.572 nan 8.280 nan 0.000 0.521 322 L N 1.898 123.285 121.223 0.273 0.000 2.313 322 L HA 0.820 5.139 4.340 -0.035 0.000 0.283 322 L C -0.021 177.052 176.870 0.338 0.000 1.013 322 L CA -1.335 53.621 54.840 0.195 0.000 0.816 322 L CB 1.730 43.782 42.059 -0.013 0.000 1.236 322 L HN 0.228 nan 8.230 nan 0.000 0.419 323 A N 3.527 126.514 122.820 0.277 0.000 2.310 323 A HA 0.396 4.695 4.320 -0.035 0.000 0.299 323 A C -1.230 176.589 177.584 0.392 0.000 1.147 323 A CA -0.432 51.828 52.037 0.372 0.000 0.818 323 A CB 0.705 19.822 19.000 0.195 0.000 1.096 323 A HN 0.862 nan 8.150 nan 0.000 0.495 324 W N 3.964 125.368 121.300 0.174 0.000 2.362 324 W HA 0.547 5.185 4.660 -0.036 0.000 0.316 324 W C -1.971 174.722 176.519 0.290 0.000 1.024 324 W CA -0.554 56.892 57.345 0.168 0.000 1.270 324 W CB 1.586 31.073 29.460 0.045 0.000 1.273 324 W HN 0.452 nan 8.180 nan 0.000 0.424 325 V N 5.747 125.703 119.914 0.071 0.000 2.444 325 V HA 0.060 4.159 4.120 -0.035 0.000 0.294 325 V C 0.026 175.954 176.094 -0.277 0.000 1.022 325 V CA -0.580 61.718 62.300 -0.004 0.000 0.850 325 V CB 1.480 33.318 31.823 0.025 0.000 0.992 325 V HN 0.430 nan 8.190 nan 0.000 0.426 326 D N 4.878 125.052 120.400 -0.378 0.000 2.339 326 D HA 0.178 4.797 4.640 -0.035 0.000 0.256 326 D C 0.733 176.681 176.300 -0.586 0.000 1.214 326 D CA -0.160 53.283 54.000 -0.928 0.000 0.877 326 D CB 1.184 41.658 40.800 -0.544 0.000 1.111 326 D HN 0.661 nan 8.370 nan 0.000 0.478 327 I N 1.054 121.228 120.570 -0.660 0.000 3.914 327 I HA 0.097 4.246 4.170 -0.035 0.000 0.333 327 I C 1.486 177.343 176.117 -0.434 0.000 1.449 327 I CA -0.427 60.579 61.300 -0.490 0.000 1.135 327 I CB 0.098 37.786 38.000 -0.520 0.000 1.073 327 I HN 0.158 nan 8.210 nan 0.000 0.401 328 S N 2.052 117.488 115.700 -0.440 0.000 2.387 328 S HA -0.206 4.243 4.470 -0.035 0.000 0.230 328 S C 2.097 176.563 174.600 -0.223 0.000 1.035 328 S CA 1.215 59.229 58.200 -0.311 0.000 1.014 328 S CB -0.614 62.423 63.200 -0.272 0.000 0.836 328 S HN 0.621 nan 8.310 nan 0.000 0.466 329 A N 1.259 123.949 122.820 -0.217 0.000 2.172 329 A HA 0.291 4.590 4.320 -0.035 0.000 0.216 329 A C 2.140 179.622 177.584 -0.170 0.000 1.154 329 A CA 0.828 52.766 52.037 -0.164 0.000 0.701 329 A CB -0.661 18.253 19.000 -0.143 0.000 0.789 329 A HN 0.586 nan 8.150 nan 0.000 0.465 330 L N -1.269 119.817 121.223 -0.229 0.000 2.418 330 L HA 0.191 4.510 4.340 -0.035 0.000 0.218 330 L C 1.514 178.274 176.870 -0.182 0.000 1.125 330 L CA 0.350 55.047 54.840 -0.238 0.000 0.835 330 L CB -1.017 40.804 42.059 -0.396 0.000 0.953 330 L HN 0.588 nan 8.230 nan 0.000 0.454 334 A N 2.474 125.368 122.820 0.123 0.000 1.933 334 A HA -0.094 4.205 4.320 -0.035 0.000 0.218 334 A C 1.940 179.636 177.584 0.187 0.000 1.175 334 A CA 2.668 54.801 52.037 0.160 0.000 0.628 334 A CB -0.903 18.175 19.000 0.130 0.000 0.814 334 A HN 0.898 nan 8.150 nan 0.000 0.444 335 E N 0.351 120.635 120.200 0.140 0.000 2.077 335 E HA -0.255 4.074 4.350 -0.035 0.000 0.193 335 E C 1.634 178.287 176.600 0.088 0.000 0.989 335 E CA 1.605 58.063 56.400 0.097 0.000 0.800 335 E CB -0.833 28.908 29.700 0.068 0.000 0.746 335 E HN 0.675 nan 8.360 nan 0.000 0.452 336 D N -0.774 119.689 120.400 0.106 0.000 2.097 336 D HA -0.072 4.547 4.640 -0.035 0.000 0.195 336 D C 1.771 178.163 176.300 0.153 0.000 0.989 336 D CA 1.219 55.281 54.000 0.103 0.000 0.827 336 D CB -0.553 40.299 40.800 0.087 0.000 0.966 336 D HN 0.444 nan 8.370 nan 0.000 0.456 337 F N 1.415 121.393 119.950 0.047 0.000 2.134 337 F HA -0.212 4.294 4.527 -0.035 0.000 0.299 337 F C 2.266 178.148 175.800 0.136 0.000 1.097 337 F CA 0.995 59.045 58.000 0.083 0.000 1.264 337 F CB -0.422 38.596 39.000 0.029 0.000 1.001 337 F HN -0.019 nan 8.300 nan 0.000 0.479 338 C N -0.107 119.174 119.300 -0.032 0.000 2.435 338 C HA -0.124 4.315 4.460 -0.035 0.000 0.279 338 C C 2.938 177.833 174.990 -0.158 0.000 1.321 338 C CA 1.311 60.239 59.018 -0.151 0.000 1.752 338 C CB -1.150 26.583 27.740 -0.012 0.000 1.959 338 C HN 0.517 nan 8.230 nan 0.000 0.500 339 K N 0.108 120.464 120.400 -0.074 0.000 2.025 339 K HA -0.167 4.132 4.320 -0.035 0.000 0.207 339 K C 1.875 178.427 176.600 -0.080 0.000 1.049 339 K CA 1.772 58.016 56.287 -0.072 0.000 0.933 339 K CB -1.088 31.397 32.500 -0.025 0.000 0.714 339 K HN 0.725 nan 8.250 nan 0.000 0.438 340 Y N 0.696 120.903 120.300 -0.155 0.000 2.128 340 Y HA -0.158 4.371 4.550 -0.034 0.000 0.284 340 Y C 2.006 177.776 175.900 -0.217 0.000 1.154 340 Y CA 2.111 60.120 58.100 -0.151 0.000 1.149 340 Y CB -0.582 37.816 38.460 -0.103 0.000 0.976 340 Y HN 0.207 nan 8.280 nan 0.000 0.505 341 L N 1.062 122.002 121.223 -0.472 0.000 2.046 341 L HA -0.148 4.171 4.340 -0.035 0.000 0.208 341 L C 2.723 179.355 176.870 -0.396 0.000 1.077 341 L CA 2.094 56.601 54.840 -0.555 0.000 0.747 341 L CB -0.865 40.841 42.059 -0.590 0.000 0.896 341 L HN 0.304 nan 8.230 nan 0.000 0.432 342 R N -0.598 119.723 120.500 -0.298 0.000 2.075 342 R HA -0.155 4.164 4.340 -0.035 0.000 0.232 342 R C 2.121 178.292 176.300 -0.215 0.000 1.126 342 R CA 1.714 57.680 56.100 -0.222 0.000 0.963 342 R CB -0.162 30.021 30.300 -0.194 0.000 0.858 342 R HN 0.517 nan 8.270 nan 0.000 0.435 343 E N -0.358 119.699 120.200 -0.238 0.000 2.072 343 E HA -0.151 4.178 4.350 -0.035 0.000 0.191 343 E C 2.112 178.571 176.600 -0.235 0.000 0.985 343 E CA 1.208 57.489 56.400 -0.199 0.000 0.801 343 E CB 0.168 29.773 29.700 -0.159 0.000 0.750 343 E HN 0.047 nan 8.360 nan 0.000 0.452 344 K N -0.197 119.970 120.400 -0.388 0.000 2.167 344 K HA -0.041 4.258 4.320 -0.035 0.000 0.203 344 K C 2.248 178.707 176.600 -0.235 0.000 1.052 344 K CA 1.544 57.614 56.287 -0.362 0.000 0.956 344 K CB -0.033 32.092 32.500 -0.625 0.000 0.735 344 K HN 0.487 nan 8.250 nan 0.000 0.451 345 T N -5.692 108.723 114.554 -0.232 0.000 2.969 345 T HA 0.302 4.631 4.350 -0.035 0.000 0.258 345 T C 1.525 176.160 174.700 -0.107 0.000 0.962 345 T CA 0.977 62.991 62.100 -0.143 0.000 0.903 345 T CB 0.938 69.730 68.868 -0.128 0.000 1.177 345 T HN 0.499 nan 8.240 nan 0.000 0.511 346 G N 1.445 110.170 108.800 -0.125 0.000 2.205 346 G HA2 -0.215 3.724 3.960 -0.035 0.000 0.261 346 G HA3 -0.215 3.724 3.960 -0.035 0.000 0.261 346 G C -0.088 174.757 174.900 -0.091 0.000 0.980 346 G CA 0.215 45.258 45.100 -0.095 0.000 0.632 346 G HN 0.840 nan 8.290 nan 0.000 0.533 347 L N 1.715 122.879 121.223 -0.098 0.000 2.360 347 L HA 0.671 4.990 4.340 -0.035 0.000 0.276 347 L C 0.268 177.081 176.870 -0.096 0.000 1.121 347 L CA -0.382 54.412 54.840 -0.077 0.000 0.845 347 L CB 0.496 42.520 42.059 -0.060 0.000 1.143 347 L HN 0.181 nan 8.230 nan 0.000 0.452 348 I N 7.500 128.031 120.570 -0.065 0.000 2.359 348 I HA 0.373 4.522 4.170 -0.035 0.000 0.284 348 I C 0.014 176.162 176.117 0.052 0.000 1.018 348 I CA -0.359 60.894 61.300 -0.079 0.000 1.173 348 I CB 0.604 38.504 38.000 -0.167 0.000 1.326 348 I HN 0.616 nan 8.210 nan 0.000 0.462 349 I N 1.107 121.704 120.570 0.045 0.000 3.170 349 I HA 0.664 4.813 4.170 -0.035 0.000 0.312 349 I C -0.314 175.913 176.117 0.183 0.000 1.085 349 I CA -0.740 60.655 61.300 0.159 0.000 0.999 349 I CB 2.184 40.266 38.000 0.138 0.000 1.233 349 I HN 0.220 nan 8.210 nan 0.000 0.467 350 S N 1.894 117.762 115.700 0.279 0.000 2.508 350 S HA 0.679 5.128 4.470 -0.035 0.000 0.284 350 S C 0.052 174.829 174.600 0.295 0.000 1.192 350 S CA -0.630 57.757 58.200 0.312 0.000 1.070 350 S CB 1.430 64.894 63.200 0.441 0.000 1.004 350 S HN 0.814 nan 8.310 nan 0.000 0.493 351 A N 2.204 125.165 122.820 0.234 0.000 2.371 351 A HA 0.588 4.887 4.320 -0.035 0.000 0.257 351 A C 1.360 179.150 177.584 0.344 0.000 1.089 351 A CA -0.257 51.919 52.037 0.232 0.000 0.794 351 A CB -0.000 19.093 19.000 0.156 0.000 1.029 351 A HN 0.964 nan 8.150 nan 0.000 0.488 352 G N 0.681 109.705 108.800 0.372 0.000 2.650 352 G HA2 -0.099 3.840 3.960 -0.035 0.000 0.214 352 G HA3 -0.099 3.840 3.960 -0.035 0.000 0.214 352 G C 0.875 176.098 174.900 0.537 0.000 1.136 352 G CA 0.693 46.185 45.100 0.653 0.000 0.789 352 G HN 0.764 nan 8.290 nan 0.000 0.536 353 N N 1.189 120.071 118.700 0.303 0.000 2.137 353 N HA -0.082 4.637 4.740 -0.035 0.000 0.190 353 N C 2.235 177.828 175.510 0.138 0.000 1.017 353 N CA 1.384 54.569 53.050 0.225 0.000 0.859 353 N CB -0.426 38.149 38.487 0.147 0.000 1.002 353 N HN 0.271 nan 8.380 nan 0.000 0.428 354 G N -1.192 107.612 108.800 0.007 0.000 2.598 354 G HA2 -0.182 3.757 3.960 -0.035 0.000 0.215 354 G HA3 -0.182 3.757 3.960 -0.035 0.000 0.215 354 G C 0.541 175.379 174.900 -0.102 0.000 1.131 354 G CA 0.191 45.223 45.100 -0.115 0.000 0.785 354 G HN 0.347 nan 8.290 nan 0.000 0.539 355 Y N 0.397 120.845 120.300 0.245 0.000 2.529 355 Y HA 0.227 4.756 4.550 -0.036 0.000 0.290 355 Y C 1.636 177.713 175.900 0.295 0.000 1.177 355 Y CA -0.360 57.898 58.100 0.263 0.000 1.305 355 Y CB -0.121 38.413 38.460 0.124 0.000 1.047 355 Y HN 0.120 nan 8.280 nan 0.000 0.522 356 R N -1.028 119.633 120.500 0.268 0.000 3.772 356 R HA -0.278 4.041 4.340 -0.035 0.000 0.499 356 R C 1.470 177.916 176.300 0.243 0.000 0.241 356 R CA 0.684 56.870 56.100 0.143 0.000 1.562 356 R CB -1.730 28.484 30.300 -0.142 0.000 0.987 356 R HN 0.541 nan 8.270 nan 0.000 0.571 357 G N 1.165 110.081 108.800 0.193 0.000 2.652 357 G HA2 -0.435 3.504 3.960 -0.035 0.000 0.318 357 G HA3 -0.435 3.504 3.960 -0.035 0.000 0.318 357 G C 0.244 175.308 174.900 0.274 0.000 1.295 357 G CA 1.034 46.263 45.100 0.214 0.000 0.999 357 G HN 1.051 nan 8.290 nan 0.000 0.548 358 N N 2.242 121.121 118.700 0.298 0.000 2.295 358 N HA 0.288 5.007 4.740 -0.035 0.000 0.221 358 N C 1.740 177.458 175.510 0.345 0.000 1.129 358 N CA 1.321 54.559 53.050 0.314 0.000 0.836 358 N CB -0.217 38.423 38.487 0.256 0.000 1.040 358 N HN 1.027 nan 8.380 nan 0.000 0.494 359 G N 1.183 110.248 108.800 0.441 0.000 2.479 359 G HA2 -0.324 3.615 3.960 -0.035 0.000 0.220 359 G HA3 -0.324 3.615 3.960 -0.035 0.000 0.220 359 G C 1.267 176.397 174.900 0.383 0.000 1.115 359 G CA 1.064 46.496 45.100 0.554 0.000 0.757 359 G HN 0.715 nan 8.290 nan 0.000 0.560 360 H N 0.169 119.387 119.070 0.247 0.000 2.545 360 H HA 0.092 4.627 4.556 -0.035 0.000 0.282 360 H C 1.178 176.547 175.328 0.069 0.000 1.020 360 H CA 1.172 57.306 56.048 0.143 0.000 1.243 360 H CB -0.104 29.715 29.762 0.094 0.000 1.377 360 H HN 0.463 nan 8.280 nan 0.000 0.581 361 E N -0.187 119.769 120.200 -0.408 0.000 2.444 361 E HA 0.198 4.527 4.350 -0.035 0.000 0.191 361 E C -0.836 175.316 176.600 -0.747 0.000 1.041 361 E CA -0.238 55.849 56.400 -0.521 0.000 0.883 361 E CB 0.340 29.675 29.700 -0.608 0.000 1.024 361 E HN 0.230 nan 8.360 nan 0.000 0.470 362 F N 0.153 119.855 119.950 -0.413 0.000 2.613 362 F HA 0.360 4.866 4.527 -0.035 0.000 0.314 362 F C -0.132 175.415 175.800 -0.421 0.000 1.075 362 F CA -1.394 56.200 58.000 -0.676 0.000 0.945 362 F CB 1.528 39.545 39.000 -1.639 0.000 1.310 362 F HN -0.313 nan 8.300 nan 0.000 0.467 363 V N -0.263 119.541 119.914 -0.183 0.000 2.914 363 V HA 0.724 4.823 4.120 -0.035 0.000 0.314 363 V C -1.029 175.149 176.094 0.141 0.000 1.084 363 V CA -1.021 61.319 62.300 0.066 0.000 0.963 363 V CB 2.051 33.974 31.823 0.166 0.000 1.025 363 V HN 0.852 nan 8.190 nan 0.000 0.432 364 R N 2.384 123.081 120.500 0.330 0.000 2.437 364 R HA 0.757 5.076 4.340 -0.035 0.000 0.310 364 R C -1.508 174.963 176.300 0.285 0.000 0.955 364 R CA -0.716 55.628 56.100 0.406 0.000 0.851 364 R CB 1.566 32.169 30.300 0.504 0.000 1.161 364 R HN 0.904 nan 8.270 nan 0.000 0.446 365 I N 3.533 124.237 120.570 0.224 0.000 2.418 365 I HA 0.191 4.340 4.170 -0.035 0.000 0.287 365 I C -0.416 175.773 176.117 0.121 0.000 1.008 365 I CA -1.077 60.315 61.300 0.153 0.000 1.104 365 I CB 1.835 39.898 38.000 0.105 0.000 1.264 365 I HN 0.483 nan 8.210 nan 0.000 0.438 366 N N 7.250 126.023 118.700 0.121 0.000 2.401 366 N HA 0.228 4.947 4.740 -0.035 0.000 0.255 366 N C 0.015 175.547 175.510 0.037 0.000 1.110 366 N CA 0.034 53.170 53.050 0.142 0.000 0.949 366 N CB 0.953 39.515 38.487 0.124 0.000 1.110 366 N HN 0.627 nan 8.380 nan 0.000 0.490 367 L N 1.939 123.170 121.223 0.014 0.000 2.700 367 L HA 0.308 4.627 4.340 -0.035 0.000 0.234 367 L C 0.826 177.658 176.870 -0.065 0.000 1.156 367 L CA -0.257 54.522 54.840 -0.100 0.000 0.946 367 L CB 0.090 41.943 42.059 -0.343 0.000 1.216 367 L HN 0.504 nan 8.230 nan 0.000 0.493 368 A N 1.030 123.754 122.820 -0.160 0.000 3.091 368 A HA 0.427 4.726 4.320 -0.035 0.000 0.264 368 A C 0.145 177.320 177.584 -0.682 0.000 1.673 368 A CA -0.419 51.409 52.037 -0.349 0.000 1.362 368 A CB -0.984 17.479 19.000 -0.896 0.000 1.137 368 A HN 0.498 nan 8.150 nan 0.000 0.617 369 C N -2.345 116.641 119.300 -0.524 0.000 3.288 369 C HA 0.804 5.243 4.460 -0.035 0.000 0.318 369 C C -3.250 171.666 174.990 -0.123 0.000 1.356 369 C CA -2.177 56.488 59.018 -0.588 0.000 1.359 369 C CB 1.187 28.784 27.740 -0.239 0.000 1.688 369 C HN 0.381 nan 8.230 nan 0.000 0.467 370 P HA 0.274 nan 4.420 nan 0.000 0.268 370 P C 0.952 178.285 177.300 0.055 0.000 1.208 370 P CA 0.907 64.122 63.100 0.192 0.000 0.777 370 P CB 0.456 32.230 31.700 0.123 0.000 0.875 371 K N 1.934 122.352 120.400 0.031 0.000 2.113 371 K HA -0.251 4.048 4.320 -0.035 0.000 0.208 371 K C 2.141 178.655 176.600 -0.144 0.000 1.047 371 K CA 2.664 58.899 56.287 -0.087 0.000 0.928 371 K CB -2.049 30.390 32.500 -0.101 0.000 0.716 371 K HN 0.633 nan 8.250 nan 0.000 0.446 372 E N 0.558 120.705 120.200 -0.087 0.000 2.118 372 E HA -0.026 4.303 4.350 -0.035 0.000 0.195 372 E C 2.157 178.714 176.600 -0.072 0.000 0.992 372 E CA 1.476 57.826 56.400 -0.084 0.000 0.804 372 E CB -0.574 29.101 29.700 -0.041 0.000 0.741 372 E HN 0.446 nan 8.360 nan 0.000 0.458 373 L N 0.141 121.339 121.223 -0.042 0.000 2.093 373 L HA -0.064 4.255 4.340 -0.035 0.000 0.208 373 L C 2.711 179.546 176.870 -0.058 0.000 1.085 373 L CA 1.054 55.882 54.840 -0.020 0.000 0.755 373 L CB -0.295 41.779 42.059 0.025 0.000 0.904 373 L HN 0.294 nan 8.230 nan 0.000 0.435 374 V N -0.356 119.499 119.914 -0.097 0.000 2.295 374 V HA -0.300 3.799 4.120 -0.035 0.000 0.246 374 V C 2.360 178.354 176.094 -0.167 0.000 1.049 374 V CA 1.869 64.099 62.300 -0.118 0.000 1.024 374 V CB -0.425 31.323 31.823 -0.125 0.000 0.648 374 V HN 0.316 nan 8.190 nan 0.000 0.447 375 I N 0.333 120.735 120.570 -0.279 0.000 2.163 375 I HA -0.270 3.879 4.170 -0.035 0.000 0.243 375 I C 2.465 178.493 176.117 -0.149 0.000 1.085 375 I CA 2.069 63.203 61.300 -0.277 0.000 1.347 375 I CB -0.521 37.306 38.000 -0.287 0.000 1.044 375 I HN 0.364 nan 8.210 nan 0.000 0.408 376 D N 1.059 121.400 120.400 -0.098 0.000 2.104 376 D HA -0.092 4.527 4.640 -0.035 0.000 0.194 376 D C 1.373 177.642 176.300 -0.052 0.000 0.994 376 D CA 1.270 55.240 54.000 -0.050 0.000 0.830 376 D CB -0.453 40.335 40.800 -0.020 0.000 0.959 376 D HN 0.257 nan 8.370 nan 0.000 0.452 380 R N 0.767 121.290 120.500 0.039 0.000 2.066 380 R HA -0.050 4.269 4.340 -0.035 0.000 0.232 380 R C 2.119 178.459 176.300 0.066 0.000 1.131 380 R CA 1.378 57.498 56.100 0.032 0.000 0.955 380 R CB -0.200 30.096 30.300 -0.006 0.000 0.851 380 R HN 0.090 nan 8.270 nan 0.000 0.432 381 L N 1.980 123.260 121.223 0.094 0.000 2.042 381 L HA -0.198 4.121 4.340 -0.035 0.000 0.210 381 L C 2.283 179.286 176.870 0.221 0.000 1.076 381 L CA 1.861 56.799 54.840 0.163 0.000 0.749 381 L CB -0.505 41.662 42.059 0.180 0.000 0.893 381 L HN 0.033 nan 8.230 nan 0.000 0.432 382 K N -1.070 119.480 120.400 0.250 0.000 2.032 382 K HA -0.261 4.038 4.320 -0.035 0.000 0.209 382 K C 2.144 178.847 176.600 0.172 0.000 1.048 382 K CA 2.134 58.562 56.287 0.234 0.000 0.927 382 K CB -0.191 32.494 32.500 0.308 0.000 0.712 382 K HN 0.541 nan 8.250 nan 0.000 0.441 383 Q N 0.269 120.157 119.800 0.147 0.000 2.124 383 Q HA -0.049 4.270 4.340 -0.035 0.000 0.202 383 Q C 2.190 178.267 176.000 0.129 0.000 0.977 383 Q CA 1.823 57.693 55.803 0.110 0.000 0.850 383 Q CB -1.280 27.501 28.738 0.072 0.000 0.901 383 Q HN 0.674 nan 8.270 nan 0.000 0.429 384 G N -0.083 108.805 108.800 0.145 0.000 2.402 384 G HA2 -0.096 3.843 3.960 -0.035 0.000 0.216 384 G HA3 -0.096 3.843 3.960 -0.035 0.000 0.216 384 G C 1.776 176.925 174.900 0.415 0.000 1.162 384 G CA 1.246 46.481 45.100 0.224 0.000 0.777 384 G HN 0.488 nan 8.290 nan 0.000 0.539 385 V N 0.942 121.058 119.914 0.337 0.000 2.358 385 V HA -0.076 4.023 4.120 -0.035 0.000 0.246 385 V C 2.886 179.075 176.094 0.159 0.000 1.047 385 V CA 1.198 63.654 62.300 0.260 0.000 1.035 385 V CB -0.392 31.531 31.823 0.166 0.000 0.658 385 V HN 0.322 nan 8.190 nan 0.000 0.452 386 L N 0.193 121.498 121.223 0.137 0.000 2.131 386 L HA -0.157 4.162 4.340 -0.035 0.000 0.210 386 L C 2.220 179.149 176.870 0.098 0.000 1.092 386 L CA 1.323 56.218 54.840 0.090 0.000 0.759 386 L CB -0.559 41.546 42.059 0.077 0.000 0.903 386 L HN 0.395 nan 8.230 nan 0.000 0.435 387 N N -0.033 118.759 118.700 0.153 0.000 2.463 387 N HA 0.006 4.725 4.740 -0.035 0.000 0.181 387 N C 1.550 177.161 175.510 0.167 0.000 1.078 387 N CA 0.454 53.606 53.050 0.170 0.000 0.902 387 N CB 0.118 38.733 38.487 0.214 0.000 0.970 387 N HN 0.326 nan 8.380 nan 0.000 0.451 388 L N 1.104 122.398 121.223 0.118 0.000 2.784 388 L HA -0.064 4.255 4.340 -0.035 0.000 0.247 388 L C 0.883 177.747 176.870 -0.011 0.000 1.162 388 L CA 0.506 55.326 54.840 -0.033 0.000 0.881 388 L CB -1.801 40.215 42.059 -0.072 0.000 1.032 388 L HN 0.342 nan 8.230 nan 0.000 0.446 389 N N 0.000 118.718 118.700 0.031 0.000 1.763 389 N HA 0.000 4.719 4.740 -0.035 0.000 0.220 389 N CA 0.000 53.063 53.050 0.021 0.000 0.885 389 N CB 0.000 38.490 38.487 0.005 0.000 1.341 389 N HN 0.000 nan 8.380 nan 0.000 0.667