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 3pan_1_B DATA FIRST_RESID 4 DATA SEQUENCE YEWLNALPKA ELHLHLEGTL EPELLFALAE RNRIALPWND VETLRKAYAF DATA SEQUENCE NNLQEFLDLY YAGADVLRTE QDFYDLTWAY LQKCKAQNVV HVEPFFDPQT DATA SEQUENCE HTDRGIPFEV VLAGIRAALR DGEKLLGIRH GLILSFLRHL SEEQAQKTLD DATA SEQUENCE QALPFRDAFI AVGLDSSEVG HPPSKFQRVF DRARSEGFLT VAHAGEEGPP DATA SEQUENCE EYIWEALDLL KVERIDHGVR AFEDERLXRR LIDEQIPLTV CPLSNTKLCV DATA SEQUENCE FDDXSQHTIL DXLERGVKVT VNSDDPAYFG GYVTENFHAL QQSLGXTEEQ DATA SEQUENCE ARRLAQNSLD ARLV 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.927 175.900 0.045 0.000 1.272 4 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 4 Y CB 0.000 38.304 38.460 -0.260 0.000 1.050 5 E N 0.581 120.929 120.200 0.247 0.000 2.130 5 E HA -0.281 4.069 4.350 0.001 0.000 0.196 5 E C 1.425 178.052 176.600 0.045 0.000 0.998 5 E CA 2.000 58.474 56.400 0.122 0.000 0.806 5 E CB -0.331 29.461 29.700 0.154 0.000 0.738 5 E HN 0.642 nan 8.360 nan 0.000 0.459 6 W N 1.214 122.482 121.300 -0.052 0.000 2.381 6 W HA -0.129 4.531 4.660 0.001 0.000 0.301 6 W C 1.698 178.134 176.519 -0.140 0.000 1.205 6 W CA 1.154 58.457 57.345 -0.070 0.000 1.285 6 W CB -0.173 29.271 29.460 -0.026 0.000 1.133 6 W HN -0.047 nan 8.180 nan 0.000 0.521 7 L N 0.640 121.891 121.223 0.046 0.000 2.017 7 L HA -0.288 4.052 4.340 0.001 0.000 0.208 7 L C 2.601 179.166 176.870 -0.508 0.000 1.073 7 L CA 1.848 56.533 54.840 -0.258 0.000 0.745 7 L CB -1.248 40.773 42.059 -0.063 0.000 0.894 7 L HN 0.176 nan 8.230 nan 0.000 0.432 8 N N 0.231 118.648 118.700 -0.471 0.000 2.289 8 N HA -0.166 4.574 4.740 0.001 0.000 0.184 8 N C 1.698 176.996 175.510 -0.353 0.000 1.016 8 N CA 1.192 53.976 53.050 -0.443 0.000 0.872 8 N CB 0.197 38.428 38.487 -0.427 0.000 0.973 8 N HN 0.338 nan 8.380 nan 0.000 0.433 9 A N 0.936 123.541 122.820 -0.358 0.000 2.067 9 A HA 0.120 4.440 4.320 0.001 0.000 0.217 9 A C 1.081 178.431 177.584 -0.391 0.000 1.156 9 A CA -0.041 51.803 52.037 -0.322 0.000 0.683 9 A CB -0.187 18.643 19.000 -0.284 0.000 0.808 9 A HN 0.231 nan 8.150 nan 0.000 0.455 10 L N 1.303 122.200 121.223 -0.543 0.000 2.513 10 L HA 0.121 4.462 4.340 0.001 0.000 0.272 10 L C -2.321 174.334 176.870 -0.359 0.000 1.187 10 L CA -1.562 52.963 54.840 -0.525 0.000 0.895 10 L CB 0.311 41.958 42.059 -0.686 0.000 1.147 10 L HN 0.066 nan 8.230 nan 0.000 0.483 11 P HA 0.106 nan 4.420 nan 0.000 0.267 11 P C -1.039 176.168 177.300 -0.155 0.000 1.209 11 P CA 0.214 63.210 63.100 -0.173 0.000 0.763 11 P CB 0.513 32.137 31.700 -0.128 0.000 0.816 12 K N 1.856 122.186 120.400 -0.117 0.000 2.435 12 K HA 0.823 5.144 4.320 0.001 0.000 0.251 12 K C -0.998 175.609 176.600 0.011 0.000 0.954 12 K CA -1.022 55.227 56.287 -0.063 0.000 0.820 12 K CB 2.630 35.077 32.500 -0.089 0.000 1.292 12 K HN 0.311 nan 8.250 nan 0.000 0.436 13 A N 1.535 124.387 122.820 0.055 0.000 2.343 13 A HA 0.360 4.680 4.320 0.001 0.000 0.316 13 A C -1.152 176.508 177.584 0.127 0.000 1.104 13 A CA -0.516 51.586 52.037 0.108 0.000 0.768 13 A CB 0.992 20.033 19.000 0.067 0.000 1.213 13 A HN 0.785 nan 8.150 nan 0.000 0.456 14 E N 2.516 122.808 120.200 0.154 0.000 2.081 14 E HA 0.520 4.871 4.350 0.001 0.000 0.276 14 E C -0.426 176.235 176.600 0.102 0.000 0.950 14 E CA -0.326 56.161 56.400 0.144 0.000 0.776 14 E CB 0.598 30.418 29.700 0.200 0.000 1.094 14 E HN 0.660 nan 8.360 nan 0.000 0.402 15 L N 3.689 124.948 121.223 0.061 0.000 2.766 15 L HA 0.270 4.610 4.340 0.001 0.000 0.242 15 L C 0.246 177.051 176.870 -0.109 0.000 1.136 15 L CA -0.152 54.684 54.840 -0.006 0.000 0.933 15 L CB 0.287 42.369 42.059 0.039 0.000 1.241 15 L HN 0.568 nan 8.230 nan 0.000 0.522 16 H N 0.912 119.872 119.070 -0.183 0.000 2.808 16 H HA 0.572 5.128 4.556 0.001 0.000 0.268 16 H C -1.437 173.802 175.328 -0.149 0.000 1.306 16 H CA -0.468 55.457 56.048 -0.204 0.000 1.565 16 H CB 1.003 30.727 29.762 -0.063 0.000 1.632 16 H HN 0.029 nan 8.280 nan 0.000 0.525 17 L N 4.423 125.560 121.223 -0.143 0.000 2.543 17 L HA 0.338 4.678 4.340 0.001 0.000 0.265 17 L C -1.439 175.383 176.870 -0.081 0.000 0.945 17 L CA -0.568 54.264 54.840 -0.013 0.000 0.869 17 L CB 1.469 43.463 42.059 -0.109 0.000 1.294 17 L HN 0.612 nan 8.230 nan 0.000 0.405 18 H N 6.442 125.646 119.070 0.224 0.000 2.668 18 H HA 0.228 4.785 4.556 0.001 0.000 0.303 18 H C 0.871 176.277 175.328 0.129 0.000 1.074 18 H CA -0.292 55.926 56.048 0.283 0.000 1.406 18 H CB 1.962 31.929 29.762 0.343 0.000 1.442 18 H HN 0.715 nan 8.280 nan 0.000 0.482 19 L N 2.194 123.535 121.223 0.197 0.000 2.042 19 L HA -0.238 4.103 4.340 0.001 0.000 0.210 19 L C 1.882 178.878 176.870 0.211 0.000 1.076 19 L CA 1.472 56.377 54.840 0.108 0.000 0.749 19 L CB -0.197 41.952 42.059 0.150 0.000 0.893 19 L HN 0.581 nan 8.230 nan 0.000 0.432 20 E N 0.114 120.509 120.200 0.325 0.000 2.160 20 E HA -0.160 4.190 4.350 0.001 0.000 0.195 20 E C 1.973 178.782 176.600 0.349 0.000 0.991 20 E CA 1.149 57.707 56.400 0.265 0.000 0.810 20 E CB -0.362 29.413 29.700 0.125 0.000 0.742 20 E HN 0.471 nan 8.360 nan 0.000 0.466 21 G N -0.004 109.077 108.800 0.468 0.000 3.026 21 G HA2 -0.093 3.867 3.960 0.001 0.000 0.208 21 G HA3 -0.093 3.867 3.960 0.001 0.000 0.208 21 G C 1.046 176.134 174.900 0.314 0.000 1.169 21 G CA 0.805 46.176 45.100 0.451 0.000 0.788 21 G HN 0.354 nan 8.290 nan 0.000 0.533 22 T N -1.983 112.703 114.554 0.220 0.000 3.134 22 T HA 0.287 4.638 4.350 0.001 0.000 0.260 22 T C 0.694 175.503 174.700 0.182 0.000 1.027 22 T CA -0.530 61.666 62.100 0.160 0.000 0.913 22 T CB 0.194 69.154 68.868 0.154 0.000 1.046 22 T HN -0.007 nan 8.240 nan 0.000 0.553 23 L N 3.522 124.856 121.223 0.186 0.000 2.448 23 L HA 0.342 4.682 4.340 0.001 0.000 0.278 23 L C -0.041 176.849 176.870 0.033 0.000 1.201 23 L CA -0.308 54.605 54.840 0.122 0.000 1.036 23 L CB -0.616 41.534 42.059 0.151 0.000 1.325 23 L HN 0.121 nan 8.230 nan 0.000 0.441 24 E N 5.311 125.551 120.200 0.067 0.000 2.437 24 E HA -0.015 4.336 4.350 0.001 0.000 0.263 24 E C -1.642 174.976 176.600 0.031 0.000 1.030 24 E CA -1.493 54.937 56.400 0.050 0.000 0.934 24 E CB 0.258 30.004 29.700 0.076 0.000 0.943 24 E HN 0.413 nan 8.360 nan 0.000 0.444 25 P HA -0.176 nan 4.420 nan 0.000 0.216 25 P C 0.836 178.166 177.300 0.050 0.000 1.153 25 P CA 1.381 64.463 63.100 -0.029 0.000 0.858 25 P CB 0.351 31.927 31.700 -0.206 0.000 0.789 26 E N -0.747 119.452 120.200 -0.002 0.000 2.051 26 E HA -0.168 4.183 4.350 0.001 0.000 0.192 26 E C 1.871 178.527 176.600 0.093 0.000 0.991 26 E CA 0.867 57.279 56.400 0.020 0.000 0.799 26 E CB -1.265 28.429 29.700 -0.009 0.000 0.748 26 E HN 0.104 nan 8.360 nan 0.000 0.449 27 L N 0.359 121.630 121.223 0.080 0.000 2.131 27 L HA -0.077 4.264 4.340 0.001 0.000 0.210 27 L C 2.027 178.958 176.870 0.102 0.000 1.092 27 L CA 1.332 56.223 54.840 0.085 0.000 0.759 27 L CB -0.347 41.756 42.059 0.074 0.000 0.903 27 L HN 0.211 nan 8.230 nan 0.000 0.435 28 L N -1.969 119.328 121.223 0.124 0.000 1.994 28 L HA -0.223 4.118 4.340 0.001 0.000 0.208 28 L C 2.295 179.250 176.870 0.143 0.000 1.071 28 L CA 1.475 56.390 54.840 0.125 0.000 0.745 28 L CB -0.336 41.804 42.059 0.134 0.000 0.892 28 L HN 0.181 nan 8.230 nan 0.000 0.431 29 F N -0.085 119.881 119.950 0.027 0.000 2.134 29 F HA -0.197 4.330 4.527 0.001 0.000 0.299 29 F C 2.526 178.347 175.800 0.036 0.000 1.097 29 F CA 1.290 59.315 58.000 0.041 0.000 1.264 29 F CB -0.858 38.157 39.000 0.025 0.000 1.001 29 F HN 0.166 nan 8.300 nan 0.000 0.479 30 A N 0.029 122.969 122.820 0.200 0.000 1.877 30 A HA -0.138 4.182 4.320 0.001 0.000 0.216 30 A C 2.273 179.901 177.584 0.074 0.000 1.186 30 A CA 1.465 53.573 52.037 0.119 0.000 0.620 30 A CB -1.087 17.971 19.000 0.097 0.000 0.822 30 A HN 0.366 nan 8.150 nan 0.000 0.443 31 L N -0.777 120.482 121.223 0.060 0.000 2.046 31 L HA -0.209 4.132 4.340 0.001 0.000 0.208 31 L C 3.130 180.006 176.870 0.011 0.000 1.077 31 L CA 1.052 55.908 54.840 0.027 0.000 0.747 31 L CB -0.606 41.456 42.059 0.006 0.000 0.896 31 L HN 0.456 nan 8.230 nan 0.000 0.432 32 A N -0.206 122.613 122.820 -0.002 0.000 1.908 32 A HA -0.287 4.033 4.320 0.001 0.000 0.218 32 A C 2.279 179.851 177.584 -0.020 0.000 1.181 32 A CA 2.060 54.074 52.037 -0.039 0.000 0.627 32 A CB -0.572 18.349 19.000 -0.132 0.000 0.818 32 A HN 0.494 nan 8.150 nan 0.000 0.445 33 E N -0.576 119.629 120.200 0.008 0.000 2.077 33 E HA -0.238 4.113 4.350 0.001 0.000 0.193 33 E C 2.299 178.911 176.600 0.021 0.000 0.989 33 E CA 1.195 57.610 56.400 0.024 0.000 0.800 33 E CB -0.142 29.592 29.700 0.056 0.000 0.746 33 E HN 0.581 nan 8.360 nan 0.000 0.452 34 R N 0.308 120.823 120.500 0.024 0.000 2.091 34 R HA -0.104 4.236 4.340 0.001 0.000 0.238 34 R C 1.440 177.749 176.300 0.015 0.000 1.136 34 R CA 2.022 58.135 56.100 0.021 0.000 0.959 34 R CB -0.119 30.196 30.300 0.024 0.000 0.856 34 R HN 0.198 nan 8.270 nan 0.000 0.437 35 N N -0.017 118.688 118.700 0.009 0.000 2.398 35 N HA 0.049 4.790 4.740 0.001 0.000 0.188 35 N C -0.557 174.955 175.510 0.004 0.000 1.122 35 N CA -0.034 53.020 53.050 0.007 0.000 0.866 35 N CB 0.319 38.809 38.487 0.005 0.000 0.970 35 N HN 0.114 nan 8.380 nan 0.000 0.462 36 R N 0.189 120.690 120.500 0.002 0.000 3.525 36 R HA -0.163 4.177 4.340 0.001 0.000 0.276 36 R C -0.916 175.378 176.300 -0.010 0.000 1.116 36 R CA 0.454 56.553 56.100 -0.001 0.000 0.745 36 R CB -2.265 28.037 30.300 0.003 0.000 1.185 36 R HN 0.328 nan 8.270 nan 0.000 0.454 37 I N 1.023 121.581 120.570 -0.021 0.000 2.342 37 I HA 0.289 4.459 4.170 0.001 0.000 0.291 37 I C 1.036 177.120 176.117 -0.054 0.000 1.010 37 I CA -0.378 60.902 61.300 -0.034 0.000 1.308 37 I CB 1.480 39.459 38.000 -0.035 0.000 1.400 37 I HN 0.174 nan 8.210 nan 0.000 0.488 38 A N 8.187 130.976 122.820 -0.051 0.000 2.395 38 A HA 0.468 4.789 4.320 0.001 0.000 0.286 38 A C -0.140 177.387 177.584 -0.095 0.000 1.193 38 A CA -0.307 51.693 52.037 -0.061 0.000 0.852 38 A CB -0.056 18.918 19.000 -0.044 0.000 1.118 38 A HN 0.685 nan 8.150 nan 0.000 0.524 39 L N 3.879 125.027 121.223 -0.126 0.000 2.395 39 L HA 0.260 4.600 4.340 0.001 0.000 0.269 39 L C -1.182 175.579 176.870 -0.182 0.000 1.133 39 L CA -1.608 53.137 54.840 -0.158 0.000 0.812 39 L CB 1.215 43.136 42.059 -0.229 0.000 1.125 39 L HN 0.549 nan 8.230 nan 0.000 0.452 40 P HA -0.039 nan 4.420 nan 0.000 0.242 40 P C -0.804 176.176 177.300 -0.533 0.000 1.197 40 P CA 0.660 63.431 63.100 -0.548 0.000 0.765 40 P CB 0.170 31.327 31.700 -0.905 0.000 0.936 41 W N 0.206 121.531 121.300 0.040 0.000 2.532 41 W HA 0.248 4.909 4.660 0.001 0.000 0.321 41 W C 1.095 177.734 176.519 0.200 0.000 1.037 41 W CA -0.784 56.642 57.345 0.135 0.000 1.220 41 W CB 0.772 30.369 29.460 0.229 0.000 1.361 41 W HN -0.154 nan 8.180 nan 0.000 0.468 42 N N 1.968 120.877 118.700 0.348 0.000 2.036 42 N HA -0.213 4.527 4.740 0.001 0.000 0.195 42 N C 0.012 175.720 175.510 0.330 0.000 1.037 42 N CA 2.082 55.284 53.050 0.253 0.000 0.855 42 N CB 0.219 38.800 38.487 0.158 0.000 1.033 42 N HN 0.563 nan 8.380 nan 0.000 0.423 43 D N -3.096 117.481 120.400 0.295 0.000 2.664 43 D HA 0.096 4.736 4.640 0.001 0.000 0.292 43 D C 0.771 176.874 176.300 -0.329 0.000 1.214 43 D CA -0.458 53.559 54.000 0.028 0.000 0.932 43 D CB 0.994 41.756 40.800 -0.064 0.000 1.420 43 D HN -0.135 nan 8.370 nan 0.000 0.471 44 V N -0.323 119.047 119.914 -0.908 0.000 2.515 44 V HA -0.160 3.960 4.120 0.001 0.000 0.250 44 V C 1.799 177.646 176.094 -0.412 0.000 1.058 44 V CA 2.496 64.296 62.300 -0.834 0.000 1.064 44 V CB -0.537 30.807 31.823 -0.799 0.000 0.675 44 V HN 0.699 nan 8.190 nan 0.000 0.461 45 E N -0.160 119.867 120.200 -0.290 0.000 2.058 45 E HA -0.245 4.106 4.350 0.001 0.000 0.194 45 E C 2.165 178.667 176.600 -0.162 0.000 0.997 45 E CA 2.067 58.350 56.400 -0.195 0.000 0.801 45 E CB -0.336 29.288 29.700 -0.128 0.000 0.746 45 E HN 0.674 nan 8.360 nan 0.000 0.450 46 T N 1.427 115.924 114.554 -0.095 0.000 2.788 46 T HA -0.163 4.187 4.350 0.001 0.000 0.268 46 T C 1.720 176.376 174.700 -0.074 0.000 1.044 46 T CA 1.142 63.239 62.100 -0.005 0.000 1.139 46 T CB -0.226 68.722 68.868 0.132 0.000 0.867 46 T HN 0.129 nan 8.240 nan 0.000 0.454 47 L N 1.058 122.144 121.223 -0.228 0.000 2.056 47 L HA 0.128 4.469 4.340 0.001 0.000 0.207 47 L C 2.404 178.880 176.870 -0.657 0.000 1.078 47 L CA 1.702 56.193 54.840 -0.582 0.000 0.749 47 L CB -0.506 41.170 42.059 -0.639 0.000 0.901 47 L HN 0.015 nan 8.230 nan 0.000 0.433 48 R N -0.515 119.617 120.500 -0.612 0.000 2.120 48 R HA -0.126 4.214 4.340 0.001 0.000 0.234 48 R C 2.045 178.100 176.300 -0.409 0.000 1.123 48 R CA 1.291 56.961 56.100 -0.717 0.000 0.975 48 R CB -0.043 30.000 30.300 -0.428 0.000 0.866 48 R HN 0.358 nan 8.270 nan 0.000 0.446 49 K N -0.746 119.512 120.400 -0.237 0.000 2.439 49 K HA 0.014 4.335 4.320 0.001 0.000 0.197 49 K C 1.390 177.958 176.600 -0.055 0.000 1.041 49 K CA 0.746 56.969 56.287 -0.106 0.000 0.970 49 K CB 0.351 32.817 32.500 -0.056 0.000 0.773 49 K HN 0.135 nan 8.250 nan 0.000 0.479 50 A N 0.203 122.987 122.820 -0.060 0.000 2.251 50 A HA -0.019 4.302 4.320 0.001 0.000 0.209 50 A C 0.296 177.975 177.584 0.157 0.000 1.187 50 A CA 0.246 52.335 52.037 0.087 0.000 0.823 50 A CB -0.057 19.048 19.000 0.176 0.000 0.846 50 A HN 0.170 nan 8.150 nan 0.000 0.486 51 Y N 0.776 120.982 120.300 -0.156 0.000 3.007 51 Y HA 0.512 5.062 4.550 0.001 0.000 0.390 51 Y C 0.734 176.187 175.900 -0.746 0.000 1.065 51 Y CA -0.835 57.096 58.100 -0.282 0.000 1.845 51 Y CB -1.143 37.298 38.460 -0.032 0.000 1.828 51 Y HN 0.316 nan 8.280 nan 0.000 0.458 52 A N 0.706 123.031 122.820 -0.825 0.000 2.374 52 A HA 0.816 5.136 4.320 0.001 0.000 0.305 52 A C -1.423 175.740 177.584 -0.702 0.000 1.053 52 A CA -0.455 51.174 52.037 -0.679 0.000 0.726 52 A CB 0.885 19.753 19.000 -0.220 0.000 1.229 52 A HN 0.129 nan 8.150 nan 0.000 0.431 53 F N 1.001 121.041 119.950 0.149 0.000 2.565 53 F HA 0.465 4.992 4.527 0.001 0.000 0.313 53 F C 0.885 176.731 175.800 0.077 0.000 1.091 53 F CA -0.896 57.186 58.000 0.137 0.000 0.915 53 F CB 2.330 41.435 39.000 0.174 0.000 1.208 53 F HN 0.624 nan 8.300 nan 0.000 0.453 54 N N 1.153 120.000 118.700 0.246 0.000 2.388 54 N HA 0.052 4.792 4.740 0.001 0.000 0.176 54 N C -0.623 174.950 175.510 0.105 0.000 1.062 54 N CA 0.427 53.558 53.050 0.135 0.000 0.895 54 N CB 0.248 38.797 38.487 0.104 0.000 1.018 54 N HN 0.770 nan 8.380 nan 0.000 0.456 55 N N -1.705 117.075 118.700 0.135 0.000 3.227 55 N HA 0.030 4.770 4.740 0.001 0.000 0.241 55 N C 0.035 175.588 175.510 0.070 0.000 1.480 55 N CA -0.657 52.431 53.050 0.064 0.000 0.886 55 N CB 0.171 38.680 38.487 0.037 0.000 1.406 55 N HN -0.097 nan 8.380 nan 0.000 0.514 56 L N -0.151 121.078 121.223 0.011 0.000 2.021 56 L HA -0.151 4.190 4.340 0.001 0.000 0.215 56 L C 2.238 179.149 176.870 0.068 0.000 1.074 56 L CA 2.336 57.191 54.840 0.026 0.000 0.760 56 L CB -0.991 41.061 42.059 -0.011 0.000 0.889 56 L HN 0.845 nan 8.230 nan 0.000 0.433 57 Q N -0.006 119.824 119.800 0.050 0.000 2.096 57 Q HA -0.282 4.059 4.340 0.001 0.000 0.204 57 Q C 2.269 178.304 176.000 0.059 0.000 0.982 57 Q CA 2.290 58.117 55.803 0.040 0.000 0.850 57 Q CB -0.342 28.423 28.738 0.045 0.000 0.901 57 Q HN 0.710 nan 8.270 nan 0.000 0.422 58 E N -1.336 118.940 120.200 0.126 0.000 2.077 58 E HA -0.189 4.162 4.350 0.001 0.000 0.193 58 E C 1.706 178.457 176.600 0.250 0.000 0.989 58 E CA 1.155 57.681 56.400 0.210 0.000 0.800 58 E CB -0.348 29.525 29.700 0.288 0.000 0.746 58 E HN 0.460 nan 8.360 nan 0.000 0.452 59 F N 1.194 121.118 119.950 -0.044 0.000 2.102 59 F HA -0.160 4.368 4.527 0.001 0.000 0.298 59 F C 1.780 177.390 175.800 -0.316 0.000 1.105 59 F CA 1.397 59.105 58.000 -0.488 0.000 1.239 59 F CB -0.434 37.981 39.000 -0.974 0.000 0.991 59 F HN -0.006 nan 8.300 nan 0.000 0.474 60 L N 0.279 121.114 121.223 -0.646 0.000 2.079 60 L HA -0.257 4.084 4.340 0.001 0.000 0.210 60 L C 2.233 178.869 176.870 -0.390 0.000 1.081 60 L CA 1.604 55.994 54.840 -0.750 0.000 0.752 60 L CB -0.958 40.898 42.059 -0.338 0.000 0.896 60 L HN 0.154 nan 8.230 nan 0.000 0.433 61 D N -0.090 120.245 120.400 -0.109 0.000 2.123 61 D HA -0.197 4.443 4.640 0.001 0.000 0.196 61 D C 2.048 178.395 176.300 0.078 0.000 0.992 61 D CA 1.173 55.204 54.000 0.052 0.000 0.833 61 D CB -0.117 40.740 40.800 0.096 0.000 0.954 61 D HN 0.154 nan 8.370 nan 0.000 0.455 62 L N -0.389 120.878 121.223 0.073 0.000 2.044 62 L HA -0.098 4.243 4.340 0.001 0.000 0.205 62 L C 2.256 179.162 176.870 0.060 0.000 1.075 62 L CA 1.310 56.284 54.840 0.223 0.000 0.747 62 L CB -0.798 41.507 42.059 0.409 0.000 0.903 62 L HN 0.070 nan 8.230 nan 0.000 0.435 63 Y N -1.135 118.812 120.300 -0.587 0.000 2.102 63 Y HA -0.413 4.137 4.550 0.001 0.000 0.280 63 Y C 2.169 177.783 175.900 -0.477 0.000 1.178 63 Y CA 2.329 59.848 58.100 -0.970 0.000 1.146 63 Y CB -0.313 37.023 38.460 -1.874 0.000 0.968 63 Y HN 0.272 nan 8.280 nan 0.000 0.504 64 Y N -0.499 119.625 120.300 -0.293 0.000 2.243 64 Y HA -0.028 4.523 4.550 0.001 0.000 0.293 64 Y C 2.624 178.464 175.900 -0.099 0.000 1.124 64 Y CA 0.708 58.653 58.100 -0.258 0.000 1.159 64 Y CB -1.260 37.113 38.460 -0.146 0.000 1.008 64 Y HN 0.238 nan 8.280 nan 0.000 0.527 65 A N 0.187 123.106 122.820 0.165 0.000 1.978 65 A HA -0.139 4.181 4.320 0.001 0.000 0.220 65 A C 2.583 180.316 177.584 0.247 0.000 1.170 65 A CA 1.819 53.975 52.037 0.198 0.000 0.636 65 A CB -1.438 17.718 19.000 0.260 0.000 0.810 65 A HN 0.468 nan 8.150 nan 0.000 0.448 66 G N -0.759 108.195 108.800 0.257 0.000 2.443 66 G HA2 0.079 4.039 3.960 0.001 0.000 0.219 66 G HA3 0.079 4.039 3.960 0.001 0.000 0.219 66 G C 1.571 176.550 174.900 0.132 0.000 1.131 66 G CA 1.066 46.316 45.100 0.249 0.000 0.775 66 G HN 0.812 nan 8.290 nan 0.000 0.547 67 A N 0.853 123.709 122.820 0.060 0.000 2.178 67 A HA -0.005 4.315 4.320 0.001 0.000 0.218 67 A C 1.922 179.559 177.584 0.090 0.000 1.157 67 A CA 1.856 53.931 52.037 0.063 0.000 0.689 67 A CB -0.394 18.634 19.000 0.047 0.000 0.787 67 A HN 0.362 nan 8.150 nan 0.000 0.465 68 D N 0.195 120.647 120.400 0.087 0.000 2.190 68 D HA -0.171 4.469 4.640 0.001 0.000 0.200 68 D C 1.866 178.194 176.300 0.046 0.000 0.992 68 D CA 1.936 55.978 54.000 0.070 0.000 0.854 68 D CB -0.174 40.662 40.800 0.060 0.000 0.936 68 D HN 0.431 nan 8.370 nan 0.000 0.462 69 V N -1.175 118.759 119.914 0.033 0.000 2.809 69 V HA 0.042 4.163 4.120 0.001 0.000 0.256 69 V C 1.145 177.200 176.094 -0.064 0.000 1.080 69 V CA 0.465 62.762 62.300 -0.004 0.000 1.102 69 V CB -0.878 30.947 31.823 0.003 0.000 0.705 69 V HN 0.082 nan 8.190 nan 0.000 0.475 70 L N 1.692 122.846 121.223 -0.115 0.000 2.363 70 L HA 0.440 4.780 4.340 0.001 0.000 0.286 70 L C 1.396 178.170 176.870 -0.159 0.000 1.106 70 L CA 0.129 54.746 54.840 -0.371 0.000 0.859 70 L CB 0.218 41.882 42.059 -0.658 0.000 1.223 70 L HN 0.267 nan 8.230 nan 0.000 0.446 71 R N 0.315 120.777 120.500 -0.063 0.000 2.561 71 R HA 0.191 4.532 4.340 0.001 0.000 0.213 71 R C 0.204 176.619 176.300 0.192 0.000 0.885 71 R CA -0.004 56.168 56.100 0.121 0.000 1.002 71 R CB 0.783 31.124 30.300 0.069 0.000 1.432 71 R HN 0.410 nan 8.270 nan 0.000 0.651 72 T N 0.696 115.331 114.554 0.134 0.000 2.943 72 T HA 0.087 4.437 4.350 0.001 0.000 0.284 72 T C 0.799 175.650 174.700 0.253 0.000 1.015 72 T CA -0.489 61.701 62.100 0.150 0.000 1.042 72 T CB 2.636 71.550 68.868 0.076 0.000 1.055 72 T HN 0.139 nan 8.240 nan 0.000 0.500 73 E N 0.988 121.301 120.200 0.187 0.000 2.097 73 E HA -0.279 4.072 4.350 0.001 0.000 0.196 73 E C 1.874 178.591 176.600 0.196 0.000 1.000 73 E CA 1.491 58.001 56.400 0.183 0.000 0.804 73 E CB 0.056 29.802 29.700 0.076 0.000 0.740 73 E HN 0.532 nan 8.360 nan 0.000 0.454 74 Q N 0.950 120.821 119.800 0.118 0.000 2.124 74 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 74 Q C 1.488 177.574 176.000 0.144 0.000 0.977 74 Q CA 2.089 57.952 55.803 0.100 0.000 0.850 74 Q CB -0.168 28.588 28.738 0.030 0.000 0.901 74 Q HN 0.344 nan 8.270 nan 0.000 0.429 75 D N -0.771 119.679 120.400 0.083 0.000 2.104 75 D HA -0.168 4.473 4.640 0.001 0.000 0.194 75 D C 1.475 177.718 176.300 -0.094 0.000 0.994 75 D CA 1.197 55.171 54.000 -0.044 0.000 0.830 75 D CB -0.317 40.374 40.800 -0.181 0.000 0.959 75 D HN 0.327 nan 8.370 nan 0.000 0.452 76 F N -0.527 119.442 119.950 0.031 0.000 2.325 76 F HA -0.073 4.455 4.527 0.001 0.000 0.299 76 F C 2.259 178.086 175.800 0.044 0.000 1.090 76 F CA 0.372 58.369 58.000 -0.005 0.000 1.392 76 F CB -0.503 38.445 39.000 -0.086 0.000 1.053 76 F HN -0.012 nan 8.300 nan 0.000 0.521 77 Y N 1.253 121.637 120.300 0.140 0.000 2.133 77 Y HA -0.248 4.302 4.550 0.001 0.000 0.287 77 Y C 2.213 178.200 175.900 0.146 0.000 1.134 77 Y CA 1.789 59.946 58.100 0.094 0.000 1.133 77 Y CB -0.501 37.972 38.460 0.021 0.000 0.987 77 Y HN -0.093 nan 8.280 nan 0.000 0.502 78 D N 0.458 121.073 120.400 0.358 0.000 2.116 78 D HA -0.230 4.410 4.640 0.001 0.000 0.193 78 D C 2.146 178.539 176.300 0.155 0.000 0.998 78 D CA 1.675 55.849 54.000 0.289 0.000 0.836 78 D CB -0.660 40.268 40.800 0.212 0.000 0.951 78 D HN 0.416 nan 8.370 nan 0.000 0.449 79 L N 0.721 122.000 121.223 0.093 0.000 1.994 79 L HA -0.169 4.172 4.340 0.001 0.000 0.208 79 L C 2.227 179.163 176.870 0.110 0.000 1.071 79 L CA 1.931 56.819 54.840 0.080 0.000 0.745 79 L CB -0.976 41.100 42.059 0.029 0.000 0.892 79 L HN -0.026 nan 8.230 nan 0.000 0.431 80 T N -1.052 113.551 114.554 0.082 0.000 2.777 80 T HA -0.258 4.093 4.350 0.001 0.000 0.266 80 T C 1.545 176.302 174.700 0.095 0.000 1.040 80 T CA 1.623 63.779 62.100 0.095 0.000 1.141 80 T CB -0.705 68.171 68.868 0.013 0.000 0.868 80 T HN 0.607 nan 8.240 nan 0.000 0.444 81 W N 1.815 122.937 121.300 -0.296 0.000 2.363 81 W HA -0.120 4.540 4.660 0.001 0.000 0.296 81 W C 2.482 178.928 176.519 -0.121 0.000 1.212 81 W CA 0.865 58.013 57.345 -0.329 0.000 1.260 81 W CB -0.193 28.918 29.460 -0.581 0.000 1.131 81 W HN 0.304 nan 8.180 nan 0.000 0.530 82 A N -0.164 122.619 122.820 -0.061 0.000 1.898 82 A HA -0.289 4.031 4.320 0.001 0.000 0.216 82 A C 1.722 179.244 177.584 -0.103 0.000 1.181 82 A CA 1.651 53.611 52.037 -0.128 0.000 0.620 82 A CB -1.646 17.360 19.000 0.012 0.000 0.819 82 A HN 0.551 nan 8.150 nan 0.000 0.442 83 Y N 0.762 121.021 120.300 -0.068 0.000 2.181 83 Y HA -0.152 4.398 4.550 0.001 0.000 0.288 83 Y C 1.832 177.679 175.900 -0.089 0.000 1.146 83 Y CA 1.734 59.835 58.100 0.001 0.000 1.164 83 Y CB -0.416 38.094 38.460 0.083 0.000 0.982 83 Y HN 0.207 nan 8.280 nan 0.000 0.515 84 L N 0.027 121.014 121.223 -0.395 0.000 2.046 84 L HA -0.257 4.083 4.340 0.001 0.000 0.208 84 L C 2.548 179.093 176.870 -0.542 0.000 1.077 84 L CA 1.691 56.224 54.840 -0.511 0.000 0.747 84 L CB -0.711 41.185 42.059 -0.272 0.000 0.896 84 L HN 0.266 nan 8.230 nan 0.000 0.432 85 Q N -0.231 119.196 119.800 -0.621 0.000 2.124 85 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 85 Q C 2.202 177.957 176.000 -0.408 0.000 0.977 85 Q CA 1.064 56.532 55.803 -0.559 0.000 0.850 85 Q CB 0.004 28.376 28.738 -0.609 0.000 0.901 85 Q HN 0.293 nan 8.270 nan 0.000 0.429 86 K N 0.145 120.299 120.400 -0.410 0.000 2.097 86 K HA -0.106 4.215 4.320 0.001 0.000 0.206 86 K C 2.031 178.424 176.600 -0.345 0.000 1.049 86 K CA 0.871 56.918 56.287 -0.400 0.000 0.933 86 K CB -0.434 31.775 32.500 -0.484 0.000 0.717 86 K HN 0.297 nan 8.250 nan 0.000 0.442 87 C N 0.737 119.782 119.300 -0.425 0.000 2.466 87 C HA -0.041 4.419 4.460 0.001 0.000 0.278 87 C C 2.677 177.523 174.990 -0.241 0.000 1.288 87 C CA 0.568 59.384 59.018 -0.338 0.000 1.722 87 C CB -0.452 27.024 27.740 -0.441 0.000 2.017 87 C HN 0.442 nan 8.230 nan 0.000 0.488 88 K N 2.048 122.293 120.400 -0.258 0.000 2.103 88 K HA -0.083 4.237 4.320 0.001 0.000 0.207 88 K C 1.885 178.383 176.600 -0.170 0.000 1.048 88 K CA 1.926 58.096 56.287 -0.196 0.000 0.930 88 K CB -0.464 31.910 32.500 -0.210 0.000 0.716 88 K HN 0.399 nan 8.250 nan 0.000 0.444 89 A N -0.021 122.685 122.820 -0.190 0.000 2.067 89 A HA -0.049 4.271 4.320 0.001 0.000 0.217 89 A C 1.382 178.883 177.584 -0.139 0.000 1.156 89 A CA 1.104 53.049 52.037 -0.154 0.000 0.683 89 A CB -0.143 18.758 19.000 -0.165 0.000 0.808 89 A HN 0.478 nan 8.150 nan 0.000 0.455 90 Q N -1.246 118.462 119.800 -0.152 0.000 2.172 90 Q HA 0.159 4.499 4.340 0.001 0.000 0.217 90 Q C -0.624 175.279 176.000 -0.162 0.000 0.832 90 Q CA -0.114 55.600 55.803 -0.148 0.000 1.010 90 Q CB 0.147 28.818 28.738 -0.111 0.000 1.133 90 Q HN 0.764 nan 8.270 nan 0.000 0.489 91 N N -0.582 118.027 118.700 -0.151 0.000 2.708 91 N HA -0.156 4.585 4.740 0.001 0.000 0.251 91 N C -0.788 174.647 175.510 -0.124 0.000 1.123 91 N CA 0.287 53.251 53.050 -0.144 0.000 0.739 91 N CB -1.072 37.310 38.487 -0.174 0.000 1.113 91 N HN 0.016 nan 8.380 nan 0.000 0.561 92 V N 1.577 121.425 119.914 -0.110 0.000 2.403 92 V HA 0.046 4.167 4.120 0.001 0.000 0.265 92 V C 1.652 177.713 176.094 -0.056 0.000 1.034 92 V CA 0.515 62.775 62.300 -0.066 0.000 1.036 92 V CB 0.908 32.696 31.823 -0.059 0.000 1.032 92 V HN 0.290 nan 8.190 nan 0.000 0.478 93 V N 1.362 121.268 119.914 -0.015 0.000 3.506 93 V HA 0.284 4.404 4.120 0.001 0.000 0.263 93 V C 0.700 176.840 176.094 0.076 0.000 1.203 93 V CA 0.644 62.949 62.300 0.008 0.000 1.133 93 V CB -0.348 31.479 31.823 0.006 0.000 0.802 93 V HN 0.862 nan 8.190 nan 0.000 0.459 94 H N 0.775 119.837 119.070 -0.012 0.000 2.856 94 H HA 0.645 5.201 4.556 0.001 0.000 0.355 94 H C -1.615 173.737 175.328 0.040 0.000 1.079 94 H CA 0.112 56.168 56.048 0.013 0.000 1.240 94 H CB 2.413 32.177 29.762 0.003 0.000 1.701 94 H HN 0.246 nan 8.280 nan 0.000 0.527 95 V N 2.142 121.928 119.914 -0.213 0.000 2.735 95 V HA 0.579 4.700 4.120 0.001 0.000 0.310 95 V C -0.360 175.698 176.094 -0.061 0.000 1.061 95 V CA -0.779 61.520 62.300 -0.002 0.000 0.913 95 V CB 2.128 34.023 31.823 0.119 0.000 1.005 95 V HN 0.830 nan 8.190 nan 0.000 0.428 96 E N 3.945 124.162 120.200 0.027 0.000 3.666 96 E HA 0.375 4.725 4.350 0.001 0.000 0.230 96 E C -2.847 173.649 176.600 -0.172 0.000 1.235 96 E CA -1.529 54.867 56.400 -0.008 0.000 1.096 96 E CB 1.688 31.429 29.700 0.068 0.000 1.287 96 E HN 0.664 nan 8.360 nan 0.000 0.406 97 P HA 0.175 nan 4.420 nan 0.000 0.277 97 P C -0.663 176.518 177.300 -0.198 0.000 1.240 97 P CA -0.328 62.620 63.100 -0.252 0.000 0.798 97 P CB 0.561 32.206 31.700 -0.093 0.000 0.979 98 F N 1.514 121.459 119.950 -0.008 0.000 2.370 98 F HA 0.589 5.116 4.527 0.001 0.000 0.319 98 F C 0.605 176.559 175.800 0.257 0.000 1.129 98 F CA -0.103 57.923 58.000 0.045 0.000 1.109 98 F CB 0.132 39.015 39.000 -0.195 0.000 1.262 98 F HN 0.252 nan 8.300 nan 0.000 0.534 99 F N -1.266 118.821 119.950 0.229 0.000 2.645 99 F HA 0.584 5.112 4.527 0.001 0.000 0.310 99 F C -1.489 174.393 175.800 0.136 0.000 1.102 99 F CA -1.853 56.272 58.000 0.207 0.000 0.952 99 F CB 1.213 40.307 39.000 0.157 0.000 1.326 99 F HN 0.240 nan 8.300 nan 0.000 0.456 100 D N 3.942 124.331 120.400 -0.019 0.000 2.479 100 D HA 0.295 4.935 4.640 0.001 0.000 0.247 100 D C -2.118 174.014 176.300 -0.281 0.000 1.119 100 D CA -1.548 52.319 54.000 -0.223 0.000 0.922 100 D CB 1.375 42.160 40.800 -0.025 0.000 1.014 100 D HN 0.254 nan 8.370 nan 0.000 0.510 101 P HA -0.215 nan 4.420 nan 0.000 0.216 101 P C 1.448 178.708 177.300 -0.068 0.000 1.157 101 P CA 1.448 64.436 63.100 -0.187 0.000 0.880 101 P CB 0.484 32.061 31.700 -0.204 0.000 0.791 102 Q N -1.351 118.366 119.800 -0.138 0.000 2.135 102 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 102 Q C 2.109 178.013 176.000 -0.159 0.000 0.981 102 Q CA 1.913 57.653 55.803 -0.106 0.000 0.856 102 Q CB -0.962 27.702 28.738 -0.123 0.000 0.902 102 Q HN 0.258 nan 8.270 nan 0.000 0.425 103 T N 0.201 114.583 114.554 -0.285 0.000 2.737 103 T HA -0.179 4.171 4.350 0.001 0.000 0.269 103 T C 1.328 175.850 174.700 -0.297 0.000 1.040 103 T CA 1.500 63.383 62.100 -0.361 0.000 1.142 103 T CB -0.197 68.391 68.868 -0.466 0.000 0.861 103 T HN 0.431 nan 8.240 nan 0.000 0.456 104 H N 0.467 119.577 119.070 0.066 0.000 2.388 104 H HA 0.086 4.643 4.556 0.001 0.000 0.304 104 H C 2.870 178.241 175.328 0.072 0.000 1.049 104 H CA 1.777 57.895 56.048 0.115 0.000 1.371 104 H CB -1.001 28.871 29.762 0.184 0.000 1.436 104 H HN 0.499 nan 8.280 nan 0.000 0.544 105 T N 0.073 114.719 114.554 0.153 0.000 2.746 105 T HA -0.147 4.203 4.350 0.001 0.000 0.267 105 T C 1.468 176.209 174.700 0.069 0.000 1.039 105 T CA 1.567 63.737 62.100 0.117 0.000 1.142 105 T CB -0.340 68.607 68.868 0.131 0.000 0.866 105 T HN 0.060 nan 8.240 nan 0.000 0.444 106 D N 1.468 121.883 120.400 0.026 0.000 2.263 106 D HA -0.012 4.629 4.640 0.001 0.000 0.208 106 D C 2.117 178.427 176.300 0.016 0.000 0.971 106 D CA 0.723 54.724 54.000 0.001 0.000 0.867 106 D CB -0.245 40.529 40.800 -0.043 0.000 0.929 106 D HN 0.499 nan 8.370 nan 0.000 0.492 107 R N -0.905 119.621 120.500 0.042 0.000 2.317 107 R HA 0.250 4.590 4.340 0.001 0.000 0.208 107 R C 1.289 177.630 176.300 0.068 0.000 0.914 107 R CA 0.516 56.649 56.100 0.055 0.000 1.060 107 R CB 0.583 30.931 30.300 0.081 0.000 1.015 107 R HN 0.147 nan 8.270 nan 0.000 0.498 108 G N 0.823 109.666 108.800 0.071 0.000 2.194 108 G HA2 -0.244 3.716 3.960 0.001 0.000 0.236 108 G HA3 -0.244 3.716 3.960 0.001 0.000 0.236 108 G C 0.047 174.999 174.900 0.087 0.000 0.987 108 G CA -0.497 44.644 45.100 0.069 0.000 0.635 108 G HN 0.122 nan 8.290 nan 0.000 0.520 109 I N 3.210 123.849 120.570 0.115 0.000 2.533 109 I HA 0.343 4.514 4.170 0.001 0.000 0.284 109 I C -1.696 174.477 176.117 0.094 0.000 1.109 109 I CA -2.108 59.264 61.300 0.121 0.000 1.412 109 I CB 0.669 38.780 38.000 0.186 0.000 1.396 109 I HN -0.105 nan 8.210 nan 0.000 0.543 110 P HA 0.006 nan 4.420 nan 0.000 0.268 110 P C 0.629 177.967 177.300 0.064 0.000 1.204 110 P CA -0.099 63.055 63.100 0.090 0.000 0.768 110 P CB 0.334 32.082 31.700 0.081 0.000 0.842 111 F N 3.576 123.508 119.950 -0.031 0.000 2.154 111 F HA -0.248 4.280 4.527 0.001 0.000 0.301 111 F C 2.050 177.732 175.800 -0.196 0.000 1.087 111 F CA 1.913 59.856 58.000 -0.095 0.000 1.274 111 F CB -0.068 38.882 39.000 -0.083 0.000 1.009 111 F HN 0.412 nan 8.300 nan 0.000 0.485 112 E N -0.381 119.868 120.200 0.081 0.000 2.150 112 E HA -0.148 4.203 4.350 0.001 0.000 0.193 112 E C 2.141 178.680 176.600 -0.102 0.000 0.985 112 E CA 1.272 57.686 56.400 0.024 0.000 0.814 112 E CB -0.117 29.753 29.700 0.283 0.000 0.752 112 E HN 0.332 nan 8.360 nan 0.000 0.466 113 V N 0.543 120.391 119.914 -0.109 0.000 2.295 113 V HA -0.245 3.875 4.120 0.001 0.000 0.246 113 V C 2.431 178.313 176.094 -0.354 0.000 1.049 113 V CA 1.461 63.679 62.300 -0.137 0.000 1.024 113 V CB -0.290 31.497 31.823 -0.060 0.000 0.648 113 V HN 0.217 nan 8.190 nan 0.000 0.447 114 V N -0.151 119.376 119.914 -0.644 0.000 2.282 114 V HA -0.276 3.844 4.120 0.001 0.000 0.249 114 V C 2.385 178.019 176.094 -0.767 0.000 1.057 114 V CA 2.302 63.898 62.300 -1.172 0.000 1.032 114 V CB -0.710 30.500 31.823 -1.021 0.000 0.645 114 V HN 0.513 nan 8.190 nan 0.000 0.447 115 L N 0.540 121.383 121.223 -0.632 0.000 2.109 115 L HA 0.051 4.392 4.340 0.001 0.000 0.207 115 L C 2.408 179.109 176.870 -0.282 0.000 1.086 115 L CA 2.056 56.592 54.840 -0.507 0.000 0.760 115 L CB -1.077 40.671 42.059 -0.519 0.000 0.910 115 L HN 0.213 nan 8.230 nan 0.000 0.437 116 A N -0.283 122.424 122.820 -0.188 0.000 1.851 116 A HA -0.118 4.202 4.320 0.001 0.000 0.216 116 A C 2.374 179.930 177.584 -0.048 0.000 1.195 116 A CA 1.830 53.824 52.037 -0.072 0.000 0.622 116 A CB -1.681 17.303 19.000 -0.027 0.000 0.831 116 A HN 0.492 nan 8.150 nan 0.000 0.444 117 G N -0.088 108.694 108.800 -0.030 0.000 2.476 117 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 117 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 117 G C 1.548 176.487 174.900 0.066 0.000 1.164 117 G CA 1.267 46.431 45.100 0.107 0.000 0.768 117 G HN 0.496 nan 8.290 nan 0.000 0.560 118 I N 0.021 120.550 120.570 -0.068 0.000 2.113 118 I HA -0.148 4.022 4.170 0.001 0.000 0.238 118 I C 2.830 178.855 176.117 -0.155 0.000 1.070 118 I CA 1.354 62.574 61.300 -0.133 0.000 1.332 118 I CB -0.280 37.544 38.000 -0.293 0.000 1.044 118 I HN 0.065 nan 8.210 nan 0.000 0.402 119 R N 1.589 121.983 120.500 -0.176 0.000 2.103 119 R HA -0.172 4.169 4.340 0.001 0.000 0.242 119 R C 2.198 178.433 176.300 -0.109 0.000 1.142 119 R CA 1.954 57.957 56.100 -0.162 0.000 0.960 119 R CB -0.919 29.305 30.300 -0.126 0.000 0.858 119 R HN 0.413 nan 8.270 nan 0.000 0.439 120 A N 0.010 122.812 122.820 -0.029 0.000 1.883 120 A HA -0.116 4.204 4.320 0.001 0.000 0.217 120 A C 2.384 179.998 177.584 0.050 0.000 1.186 120 A CA 2.143 54.208 52.037 0.046 0.000 0.624 120 A CB -1.188 17.898 19.000 0.143 0.000 0.822 120 A HN 0.482 nan 8.150 nan 0.000 0.444 121 A N -0.537 122.265 122.820 -0.030 0.000 1.933 121 A HA 0.003 4.323 4.320 0.001 0.000 0.218 121 A C 2.163 179.688 177.584 -0.098 0.000 1.175 121 A CA 1.437 53.327 52.037 -0.246 0.000 0.628 121 A CB -0.555 18.193 19.000 -0.420 0.000 0.814 121 A HN 0.483 nan 8.150 nan 0.000 0.444 122 L N -1.138 119.975 121.223 -0.184 0.000 2.093 122 L HA -0.157 4.183 4.340 0.001 0.000 0.208 122 L C 2.731 179.433 176.870 -0.279 0.000 1.085 122 L CA 1.541 56.165 54.840 -0.360 0.000 0.755 122 L CB -0.420 41.178 42.059 -0.768 0.000 0.904 122 L HN 0.388 nan 8.230 nan 0.000 0.435 123 R N 0.690 121.095 120.500 -0.158 0.000 2.096 123 R HA -0.172 4.169 4.340 0.001 0.000 0.235 123 R C 1.736 178.045 176.300 0.015 0.000 1.127 123 R CA 1.730 57.818 56.100 -0.020 0.000 0.968 123 R CB -0.570 29.721 30.300 -0.014 0.000 0.861 123 R HN 0.265 nan 8.270 nan 0.000 0.440 124 D N -0.679 119.715 120.400 -0.011 0.000 2.117 124 D HA -0.061 4.579 4.640 0.001 0.000 0.197 124 D C 1.751 178.169 176.300 0.196 0.000 0.987 124 D CA 1.681 55.681 54.000 -0.001 0.000 0.829 124 D CB -0.723 39.891 40.800 -0.311 0.000 0.961 124 D HN 0.475 nan 8.370 nan 0.000 0.460 125 G N 0.734 109.681 108.800 0.245 0.000 2.476 125 G HA2 -0.327 3.634 3.960 0.001 0.000 0.218 125 G HA3 -0.327 3.634 3.960 0.001 0.000 0.218 125 G C 1.484 176.466 174.900 0.136 0.000 1.164 125 G CA 1.028 46.252 45.100 0.208 0.000 0.768 125 G HN 0.334 nan 8.290 nan 0.000 0.560 126 E N 0.860 121.142 120.200 0.137 0.000 2.017 126 E HA -0.180 4.171 4.350 0.001 0.000 0.193 126 E C 2.501 179.153 176.600 0.087 0.000 0.997 126 E CA 1.586 58.066 56.400 0.133 0.000 0.804 126 E CB -0.140 29.672 29.700 0.186 0.000 0.757 126 E HN 0.595 nan 8.360 nan 0.000 0.448 127 K N -0.099 120.348 120.400 0.079 0.000 2.167 127 K HA -0.048 4.272 4.320 0.001 0.000 0.203 127 K C 2.076 178.713 176.600 0.061 0.000 1.052 127 K CA 1.053 57.373 56.287 0.055 0.000 0.956 127 K CB -0.044 32.478 32.500 0.037 0.000 0.735 127 K HN 0.186 nan 8.250 nan 0.000 0.451 128 L N 0.382 121.663 121.223 0.096 0.000 2.298 128 L HA 0.144 4.484 4.340 0.001 0.000 0.209 128 L C 1.934 178.869 176.870 0.108 0.000 1.084 128 L CA 0.358 55.270 54.840 0.119 0.000 0.816 128 L CB 0.078 42.257 42.059 0.200 0.000 0.967 128 L HN 0.138 nan 8.230 nan 0.000 0.460 129 L N -1.219 120.066 121.223 0.104 0.000 2.701 129 L HA 0.345 4.685 4.340 0.001 0.000 0.238 129 L C 1.311 178.192 176.870 0.019 0.000 1.106 129 L CA 0.472 55.339 54.840 0.044 0.000 0.898 129 L CB 0.223 42.290 42.059 0.014 0.000 1.188 129 L HN 0.347 nan 8.230 nan 0.000 0.508 130 G N 1.799 110.621 108.800 0.036 0.000 2.160 130 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 130 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 130 G C 0.193 175.105 174.900 0.020 0.000 1.008 130 G CA -0.005 45.109 45.100 0.025 0.000 0.724 130 G HN 0.320 nan 8.290 nan 0.000 0.514 131 I N 1.676 122.263 120.570 0.027 0.000 2.301 131 I HA 0.315 4.485 4.170 0.001 0.000 0.292 131 I C 0.844 176.985 176.117 0.039 0.000 1.046 131 I CA -0.971 60.337 61.300 0.014 0.000 1.282 131 I CB 0.580 38.568 38.000 -0.021 0.000 1.409 131 I HN -0.030 nan 8.210 nan 0.000 0.484 132 R N 4.828 125.319 120.500 -0.015 0.000 2.641 132 R HA 0.381 4.722 4.340 0.001 0.000 0.269 132 R C -0.402 175.701 176.300 -0.327 0.000 1.074 132 R CA -0.371 55.655 56.100 -0.123 0.000 1.133 132 R CB 0.581 30.870 30.300 -0.019 0.000 1.029 132 R HN 0.716 nan 8.270 nan 0.000 0.488 133 H N -3.208 115.677 119.070 -0.307 0.000 2.980 133 H HA 0.669 5.225 4.556 0.001 0.000 0.367 133 H C -0.565 174.662 175.328 -0.170 0.000 1.206 133 H CA -1.101 54.771 56.048 -0.294 0.000 1.126 133 H CB 1.864 31.546 29.762 -0.132 0.000 1.838 133 H HN 0.717 nan 8.280 nan 0.000 0.552 134 G N 1.898 110.708 108.800 0.018 0.000 2.975 134 G HA2 0.386 4.346 3.960 0.001 0.000 0.299 134 G HA3 0.386 4.346 3.960 0.001 0.000 0.299 134 G C -1.490 173.496 174.900 0.143 0.000 1.587 134 G CA -0.712 44.441 45.100 0.090 0.000 1.052 134 G HN 0.631 nan 8.290 nan 0.000 0.545 135 L N 2.430 123.764 121.223 0.185 0.000 2.455 135 L HA 0.483 4.823 4.340 0.001 0.000 0.272 135 L C -0.063 177.033 176.870 0.378 0.000 1.174 135 L CA 0.094 55.071 54.840 0.228 0.000 0.869 135 L CB 0.346 42.510 42.059 0.175 0.000 1.130 135 L HN 0.395 nan 8.230 nan 0.000 0.474 136 I N 6.458 127.249 120.570 0.369 0.000 2.382 136 I HA 0.253 4.424 4.170 0.001 0.000 0.286 136 I C -0.475 175.873 176.117 0.386 0.000 1.002 136 I CA -0.627 60.901 61.300 0.379 0.000 1.135 136 I CB 1.591 39.801 38.000 0.350 0.000 1.288 136 I HN 0.510 nan 8.210 nan 0.000 0.448 137 L N 6.121 127.407 121.223 0.106 0.000 2.313 137 L HA 0.337 4.677 4.340 0.001 0.000 0.282 137 L C 0.133 176.640 176.870 -0.605 0.000 1.092 137 L CA 0.296 54.898 54.840 -0.396 0.000 0.831 137 L CB 1.046 42.599 42.059 -0.843 0.000 1.159 137 L HN 0.577 nan 8.230 nan 0.000 0.442 138 S N 4.217 119.544 115.700 -0.622 0.000 2.475 138 S HA 0.578 5.049 4.470 0.001 0.000 0.298 138 S C -0.589 173.616 174.600 -0.659 0.000 1.119 138 S CA -0.577 57.290 58.200 -0.556 0.000 1.085 138 S CB 0.519 63.505 63.200 -0.356 0.000 1.028 138 S HN 0.418 nan 8.310 nan 0.000 0.489 139 F N 3.398 123.146 119.950 -0.335 0.000 2.385 139 F HA 0.425 4.952 4.527 0.001 0.000 0.336 139 F C 0.414 175.982 175.800 -0.386 0.000 1.100 139 F CA -0.879 56.895 58.000 -0.377 0.000 1.116 139 F CB 0.675 39.406 39.000 -0.448 0.000 1.166 139 F HN 0.322 nan 8.300 nan 0.000 0.511 140 L N 4.699 125.823 121.223 -0.164 0.000 2.342 140 L HA 0.292 4.632 4.340 0.001 0.000 0.285 140 L C 1.647 178.313 176.870 -0.340 0.000 1.095 140 L CA -0.297 54.400 54.840 -0.238 0.000 0.843 140 L CB 0.692 42.565 42.059 -0.311 0.000 1.201 140 L HN 0.738 nan 8.230 nan 0.000 0.445 141 R N 3.325 123.660 120.500 -0.275 0.000 2.189 141 R HA -0.129 4.211 4.340 0.001 0.000 0.218 141 R C 1.629 177.850 176.300 -0.131 0.000 1.074 141 R CA 1.142 57.139 56.100 -0.172 0.000 0.991 141 R CB -0.320 29.959 30.300 -0.035 0.000 0.883 141 R HN 0.781 nan 8.270 nan 0.000 0.457 142 H N 0.272 119.126 119.070 -0.359 0.000 2.547 142 H HA 0.195 4.751 4.556 0.001 0.000 0.272 142 H C 0.515 175.687 175.328 -0.261 0.000 0.989 142 H CA -0.061 55.562 56.048 -0.708 0.000 1.214 142 H CB -0.064 29.460 29.762 -0.398 0.000 1.389 142 H HN 0.155 nan 8.280 nan 0.000 0.577 143 L N 1.603 122.540 121.223 -0.477 0.000 2.472 143 L HA 0.199 4.540 4.340 0.001 0.000 0.256 143 L C 0.902 177.773 176.870 0.002 0.000 1.111 143 L CA -0.850 53.853 54.840 -0.229 0.000 0.800 143 L CB 1.198 43.077 42.059 -0.301 0.000 1.286 143 L HN 0.181 nan 8.230 nan 0.000 0.479 144 S N -1.414 114.277 115.700 -0.014 0.000 2.603 144 S HA 0.039 4.510 4.470 0.001 0.000 0.268 144 S C 0.750 175.361 174.600 0.019 0.000 1.317 144 S CA -0.409 57.769 58.200 -0.037 0.000 1.012 144 S CB 1.228 64.396 63.200 -0.053 0.000 0.926 144 S HN 0.743 nan 8.310 nan 0.000 0.539 145 E N 0.580 120.688 120.200 -0.153 0.000 2.110 145 E HA -0.229 4.121 4.350 0.001 0.000 0.193 145 E C 1.847 178.416 176.600 -0.051 0.000 0.988 145 E CA 1.332 57.673 56.400 -0.098 0.000 0.804 145 E CB -0.182 29.351 29.700 -0.278 0.000 0.745 145 E HN 0.900 nan 8.360 nan 0.000 0.458 146 E N 0.155 120.314 120.200 -0.069 0.000 2.110 146 E HA -0.255 4.095 4.350 0.001 0.000 0.193 146 E C 2.082 178.655 176.600 -0.046 0.000 0.988 146 E CA 1.290 57.656 56.400 -0.057 0.000 0.804 146 E CB 0.083 29.751 29.700 -0.052 0.000 0.745 146 E HN 0.359 nan 8.360 nan 0.000 0.458 147 Q N -0.274 119.506 119.800 -0.033 0.000 2.079 147 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 147 Q C 2.200 178.183 176.000 -0.029 0.000 0.974 147 Q CA 1.221 57.007 55.803 -0.029 0.000 0.840 147 Q CB -0.087 28.630 28.738 -0.035 0.000 0.898 147 Q HN 0.343 nan 8.270 nan 0.000 0.430 148 A N 0.852 123.646 122.820 -0.044 0.000 1.902 148 A HA -0.227 4.094 4.320 0.001 0.000 0.217 148 A C 2.055 179.503 177.584 -0.226 0.000 1.181 148 A CA 1.178 53.106 52.037 -0.181 0.000 0.623 148 A CB -0.399 18.314 19.000 -0.477 0.000 0.818 148 A HN 0.249 nan 8.150 nan 0.000 0.443 149 Q N 0.017 119.712 119.800 -0.175 0.000 2.061 149 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 149 Q C 1.980 177.937 176.000 -0.072 0.000 0.984 149 Q CA 1.855 57.579 55.803 -0.132 0.000 0.846 149 Q CB -0.354 28.329 28.738 -0.091 0.000 0.902 149 Q HN 0.714 nan 8.270 nan 0.000 0.421 150 K N -0.352 120.018 120.400 -0.050 0.000 2.148 150 K HA -0.064 4.256 4.320 0.001 0.000 0.204 150 K C 2.161 178.739 176.600 -0.037 0.000 1.050 150 K CA 1.312 57.578 56.287 -0.035 0.000 0.942 150 K CB -0.006 32.478 32.500 -0.026 0.000 0.724 150 K HN 0.164 nan 8.250 nan 0.000 0.446 151 T N 1.908 116.457 114.554 -0.007 0.000 2.737 151 T HA -0.117 4.233 4.350 0.001 0.000 0.265 151 T C 1.689 176.369 174.700 -0.033 0.000 1.038 151 T CA 0.838 62.940 62.100 0.004 0.000 1.144 151 T CB -0.201 68.742 68.868 0.125 0.000 0.866 151 T HN 0.080 nan 8.240 nan 0.000 0.434 152 L N 1.849 123.102 121.223 0.050 0.000 2.081 152 L HA -0.146 4.194 4.340 0.001 0.000 0.212 152 L C 1.734 178.585 176.870 -0.032 0.000 1.080 152 L CA 1.872 56.703 54.840 -0.016 0.000 0.754 152 L CB -0.795 41.231 42.059 -0.055 0.000 0.893 152 L HN 0.109 nan 8.230 nan 0.000 0.433 153 D N -0.855 119.523 120.400 -0.038 0.000 2.117 153 D HA -0.198 4.442 4.640 0.001 0.000 0.197 153 D C 2.198 178.467 176.300 -0.051 0.000 0.987 153 D CA 1.272 55.258 54.000 -0.023 0.000 0.829 153 D CB -0.147 40.638 40.800 -0.024 0.000 0.961 153 D HN 0.532 nan 8.370 nan 0.000 0.460 154 Q N -0.080 119.624 119.800 -0.159 0.000 2.170 154 Q HA -0.047 4.293 4.340 0.001 0.000 0.203 154 Q C 1.779 177.555 176.000 -0.374 0.000 0.976 154 Q CA 1.349 56.955 55.803 -0.328 0.000 0.858 154 Q CB 0.009 28.386 28.738 -0.601 0.000 0.907 154 Q HN 0.209 nan 8.270 nan 0.000 0.433 155 A N -0.096 122.576 122.820 -0.247 0.000 2.220 155 A HA 0.098 4.418 4.320 0.001 0.000 0.211 155 A C 1.825 179.679 177.584 0.451 0.000 1.176 155 A CA -0.090 52.027 52.037 0.132 0.000 0.834 155 A CB -0.071 18.988 19.000 0.098 0.000 0.868 155 A HN 0.214 nan 8.150 nan 0.000 0.488 156 L N -0.027 121.363 121.223 0.279 0.000 2.012 156 L HA -0.139 4.201 4.340 0.001 0.000 0.210 156 L C -0.531 176.463 176.870 0.208 0.000 1.073 156 L CA 1.704 56.712 54.840 0.279 0.000 0.748 156 L CB -1.460 40.700 42.059 0.168 0.000 0.891 156 L HN 0.240 nan 8.230 nan 0.000 0.431 157 P HA -0.142 nan 4.420 nan 0.000 0.220 157 P C 1.166 178.410 177.300 -0.093 0.000 1.148 157 P CA 1.408 64.483 63.100 -0.042 0.000 0.803 157 P CB -0.005 31.591 31.700 -0.174 0.000 0.782 158 F N -0.282 119.782 119.950 0.190 0.000 2.765 158 F HA 0.163 4.690 4.527 0.001 0.000 0.302 158 F C 2.216 178.136 175.800 0.200 0.000 1.111 158 F CA -0.245 57.887 58.000 0.220 0.000 1.359 158 F CB -0.507 38.769 39.000 0.459 0.000 1.097 158 F HN -0.155 nan 8.300 nan 0.000 0.577 159 R N 0.448 121.180 120.500 0.387 0.000 2.174 159 R HA -0.222 4.119 4.340 0.001 0.000 0.253 159 R C 0.855 177.172 176.300 0.029 0.000 1.165 159 R CA 2.196 58.463 56.100 0.280 0.000 0.984 159 R CB -0.901 29.388 30.300 -0.018 0.000 0.873 159 R HN 0.176 nan 8.270 nan 0.000 0.456 160 D N 0.954 121.335 120.400 -0.031 0.000 2.312 160 D HA -0.023 4.617 4.640 0.001 0.000 0.211 160 D C 1.636 177.850 176.300 -0.144 0.000 0.964 160 D CA 1.260 55.208 54.000 -0.087 0.000 0.877 160 D CB 0.105 40.865 40.800 -0.066 0.000 0.924 160 D HN 0.523 nan 8.370 nan 0.000 0.515 161 A N -0.065 122.564 122.820 -0.318 0.000 2.167 161 A HA 0.050 4.370 4.320 0.001 0.000 0.214 161 A C 0.322 177.536 177.584 -0.617 0.000 1.151 161 A CA 0.371 52.071 52.037 -0.561 0.000 0.735 161 A CB -0.164 18.341 19.000 -0.825 0.000 0.802 161 A HN 0.039 nan 8.150 nan 0.000 0.467 162 F N -1.230 118.813 119.950 0.155 0.000 2.532 162 F HA 0.461 4.988 4.527 0.001 0.000 0.321 162 F C 1.044 176.918 175.800 0.123 0.000 1.089 162 F CA -1.135 56.985 58.000 0.201 0.000 0.926 162 F CB 1.278 40.507 39.000 0.381 0.000 1.168 162 F HN 0.081 nan 8.300 nan 0.000 0.459 163 I N -0.428 120.331 120.570 0.315 0.000 3.228 163 I HA 0.640 4.810 4.170 0.001 0.000 0.279 163 I C 0.580 176.853 176.117 0.259 0.000 1.221 163 I CA 0.363 61.785 61.300 0.205 0.000 1.458 163 I CB 0.114 38.211 38.000 0.161 0.000 1.105 163 I HN 0.475 nan 8.210 nan 0.000 0.445 164 A N 0.807 123.846 122.820 0.364 0.000 2.564 164 A HA 0.678 4.998 4.320 0.001 0.000 0.291 164 A C -0.896 176.835 177.584 0.246 0.000 1.102 164 A CA -0.107 52.131 52.037 0.335 0.000 0.660 164 A CB 1.177 20.322 19.000 0.243 0.000 1.283 164 A HN 0.320 nan 8.150 nan 0.000 0.430 165 V N -1.571 118.369 119.914 0.044 0.000 2.919 165 V HA 1.035 5.156 4.120 0.001 0.000 0.316 165 V C 0.249 176.294 176.094 -0.080 0.000 1.077 165 V CA 0.197 62.341 62.300 -0.259 0.000 0.977 165 V CB 1.329 32.787 31.823 -0.609 0.000 1.039 165 V HN 2.041 nan 8.190 nan 0.000 0.441 166 G N 1.237 109.962 108.800 -0.125 0.000 2.798 166 G HA2 0.729 4.690 3.960 0.001 0.000 0.286 166 G HA3 0.729 4.690 3.960 0.001 0.000 0.286 166 G C -2.025 172.928 174.900 0.087 0.000 1.389 166 G CA -0.890 44.245 45.100 0.058 0.000 0.894 166 G HN 0.993 nan 8.290 nan 0.000 0.488 167 L N 1.179 122.414 121.223 0.021 0.000 2.438 167 L HA 0.653 4.993 4.340 0.001 0.000 0.270 167 L C -1.372 175.340 176.870 -0.264 0.000 0.972 167 L CA -0.530 54.268 54.840 -0.070 0.000 0.831 167 L CB 2.010 44.046 42.059 -0.038 0.000 1.273 167 L HN 0.854 nan 8.230 nan 0.000 0.405 168 D N 2.249 122.444 120.400 -0.341 0.000 2.798 168 D HA 0.828 5.468 4.640 0.001 0.000 0.308 168 D C -0.344 175.848 176.300 -0.181 0.000 1.187 168 D CA -0.124 53.585 54.000 -0.485 0.000 1.033 168 D CB 1.457 41.874 40.800 -0.639 0.000 1.445 168 D HN 0.572 nan 8.370 nan 0.000 0.550 169 S N -1.849 113.781 115.700 -0.116 0.000 4.014 169 S HA -0.064 4.407 4.470 0.001 0.000 0.638 169 S C -0.960 173.687 174.600 0.078 0.000 1.622 169 S CA 0.022 58.269 58.200 0.078 0.000 1.816 169 S CB -1.653 61.727 63.200 0.299 0.000 0.329 169 S HN 0.879 nan 8.310 nan 0.000 1.759 170 S N 1.756 117.536 115.700 0.133 0.000 2.571 170 S HA 0.096 4.567 4.470 0.001 0.000 0.297 170 S C 1.182 175.946 174.600 0.273 0.000 1.234 170 S CA 0.719 59.019 58.200 0.168 0.000 1.120 170 S CB 0.826 64.144 63.200 0.196 0.000 0.923 170 S HN 0.573 nan 8.310 nan 0.000 0.504 171 E N 3.422 123.751 120.200 0.216 0.000 2.042 171 E HA -0.043 4.307 4.350 0.001 0.000 0.189 171 E C -0.012 176.803 176.600 0.358 0.000 0.974 171 E CA 0.408 56.973 56.400 0.275 0.000 0.806 171 E CB 0.231 30.056 29.700 0.208 0.000 0.769 171 E HN 0.514 nan 8.360 nan 0.000 0.451 172 V N 1.156 121.197 119.914 0.212 0.000 2.540 172 V HA 0.174 4.295 4.120 0.001 0.000 0.297 172 V C 1.191 177.342 176.094 0.096 0.000 1.024 172 V CA 1.091 63.475 62.300 0.140 0.000 1.105 172 V CB 0.449 32.280 31.823 0.013 0.000 0.938 172 V HN 0.686 nan 8.190 nan 0.000 0.482 173 G N 3.532 112.387 108.800 0.093 0.000 2.195 173 G HA2 -0.202 3.758 3.960 0.001 0.000 0.246 173 G HA3 -0.202 3.758 3.960 0.001 0.000 0.246 173 G C 0.141 174.817 174.900 -0.373 0.000 0.984 173 G CA 0.124 45.128 45.100 -0.159 0.000 0.633 173 G HN 0.850 nan 8.290 nan 0.000 0.525 174 H N 1.009 120.173 119.070 0.156 0.000 2.380 174 H HA 0.292 4.849 4.556 0.001 0.000 0.231 174 H C -2.528 172.770 175.328 -0.050 0.000 1.415 174 H CA -1.053 55.042 56.048 0.078 0.000 1.433 174 H CB 1.381 31.244 29.762 0.168 0.000 1.544 174 H HN 0.327 nan 8.280 nan 0.000 0.503 175 P HA 0.047 nan 4.420 nan 0.000 0.271 175 P C -1.998 175.102 177.300 -0.333 0.000 1.233 175 P CA -1.255 61.385 63.100 -0.766 0.000 0.789 175 P CB 1.063 32.353 31.700 -0.684 0.000 0.951 176 P HA -0.183 nan 4.420 nan 0.000 0.217 176 P C 1.787 179.003 177.300 -0.140 0.000 1.148 176 P CA 1.987 64.983 63.100 -0.172 0.000 0.828 176 P CB -0.459 31.134 31.700 -0.178 0.000 0.783 177 S N -0.070 115.528 115.700 -0.169 0.000 2.440 177 S HA -0.214 4.256 4.470 0.001 0.000 0.238 177 S C 1.934 176.435 174.600 -0.165 0.000 1.010 177 S CA 1.223 59.343 58.200 -0.134 0.000 0.972 177 S CB -1.031 62.097 63.200 -0.120 0.000 0.774 177 S HN 0.187 nan 8.310 nan 0.000 0.501 178 K N 0.271 120.533 120.400 -0.229 0.000 2.362 178 K HA 0.015 4.336 4.320 0.001 0.000 0.200 178 K C -0.065 176.118 176.600 -0.695 0.000 1.046 178 K CA 0.903 56.921 56.287 -0.449 0.000 0.952 178 K CB -0.134 32.048 32.500 -0.530 0.000 0.753 178 K HN 0.540 nan 8.250 nan 0.000 0.466 179 F N 0.147 120.019 119.950 -0.130 0.000 2.835 179 F HA 0.220 4.747 4.527 0.001 0.000 0.342 179 F C 1.542 177.314 175.800 -0.047 0.000 1.202 179 F CA -0.652 57.290 58.000 -0.097 0.000 1.240 179 F CB 0.527 39.478 39.000 -0.081 0.000 1.005 179 F HN 0.019 nan 8.300 nan 0.000 0.507 180 Q N 0.662 120.476 119.800 0.024 0.000 2.050 180 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 180 Q C 1.990 178.046 176.000 0.094 0.000 0.980 180 Q CA 1.992 57.820 55.803 0.043 0.000 0.840 180 Q CB 0.233 28.967 28.738 -0.008 0.000 0.898 180 Q HN 0.302 nan 8.270 nan 0.000 0.424 181 R N -0.280 120.244 120.500 0.041 0.000 2.073 181 R HA -0.099 4.241 4.340 0.001 0.000 0.234 181 R C 2.287 178.611 176.300 0.041 0.000 1.134 181 R CA 1.299 57.416 56.100 0.029 0.000 0.952 181 R CB -1.016 29.276 30.300 -0.013 0.000 0.850 181 R HN 0.186 nan 8.270 nan 0.000 0.433 182 V N -0.017 119.919 119.914 0.035 0.000 2.407 182 V HA -0.197 3.924 4.120 0.001 0.000 0.248 182 V C 1.555 177.631 176.094 -0.029 0.000 1.055 182 V CA 1.650 63.913 62.300 -0.061 0.000 1.049 182 V CB -0.317 31.365 31.823 -0.234 0.000 0.662 182 V HN 0.201 nan 8.190 nan 0.000 0.455 183 F N 0.516 120.435 119.950 -0.053 0.000 2.259 183 F HA -0.055 4.472 4.527 0.001 0.000 0.298 183 F C 2.213 178.037 175.800 0.040 0.000 1.088 183 F CA 1.761 59.770 58.000 0.016 0.000 1.358 183 F CB -0.502 38.527 39.000 0.048 0.000 1.040 183 F HN 0.248 nan 8.300 nan 0.000 0.505 184 D N -0.341 120.175 120.400 0.194 0.000 2.117 184 D HA -0.168 4.473 4.640 0.001 0.000 0.197 184 D C 2.357 178.712 176.300 0.091 0.000 0.987 184 D CA 1.045 55.120 54.000 0.125 0.000 0.829 184 D CB -0.285 40.568 40.800 0.088 0.000 0.961 184 D HN 0.134 nan 8.370 nan 0.000 0.460 185 R N 0.338 120.873 120.500 0.058 0.000 2.075 185 R HA -0.041 4.299 4.340 0.001 0.000 0.232 185 R C 2.104 178.449 176.300 0.074 0.000 1.126 185 R CA 1.361 57.489 56.100 0.047 0.000 0.963 185 R CB -0.140 30.167 30.300 0.011 0.000 0.858 185 R HN 0.098 nan 8.270 nan 0.000 0.435 186 A N 1.031 123.861 122.820 0.017 0.000 1.877 186 A HA -0.170 4.150 4.320 0.001 0.000 0.216 186 A C 2.133 179.885 177.584 0.280 0.000 1.186 186 A CA 1.482 53.546 52.037 0.044 0.000 0.620 186 A CB -0.468 18.342 19.000 -0.317 0.000 0.822 186 A HN 0.343 nan 8.150 nan 0.000 0.443 187 R N -0.714 119.895 120.500 0.181 0.000 2.120 187 R HA -0.095 4.245 4.340 0.001 0.000 0.234 187 R C 2.584 178.981 176.300 0.162 0.000 1.123 187 R CA 1.345 57.559 56.100 0.190 0.000 0.975 187 R CB -0.401 29.996 30.300 0.162 0.000 0.866 187 R HN 0.556 nan 8.270 nan 0.000 0.446 188 S N 0.733 116.517 115.700 0.140 0.000 2.368 188 S HA -0.115 4.355 4.470 0.001 0.000 0.225 188 S C 1.534 176.209 174.600 0.124 0.000 1.030 188 S CA 1.103 59.370 58.200 0.111 0.000 0.999 188 S CB 0.046 63.299 63.200 0.089 0.000 0.844 188 S HN 0.217 nan 8.310 nan 0.000 0.459 189 E N -0.021 120.292 120.200 0.187 0.000 2.502 189 E HA 0.160 4.510 4.350 0.001 0.000 0.194 189 E C 1.345 178.019 176.600 0.123 0.000 1.062 189 E CA 0.672 57.190 56.400 0.198 0.000 0.867 189 E CB 0.055 29.947 29.700 0.319 0.000 0.888 189 E HN 0.670 nan 8.360 nan 0.000 0.510 190 G N 0.582 109.456 108.800 0.123 0.000 2.192 190 G HA2 -0.215 3.745 3.960 0.001 0.000 0.193 190 G HA3 -0.215 3.745 3.960 0.001 0.000 0.193 190 G C 0.019 174.895 174.900 -0.040 0.000 0.999 190 G CA -0.472 44.625 45.100 -0.005 0.000 0.659 190 G HN 0.141 nan 8.290 nan 0.000 0.503 191 F N 1.115 121.111 119.950 0.077 0.000 2.418 191 F HA 0.669 5.196 4.527 0.001 0.000 0.341 191 F C 1.338 177.184 175.800 0.077 0.000 1.120 191 F CA -0.566 57.482 58.000 0.081 0.000 1.232 191 F CB 0.660 39.689 39.000 0.049 0.000 1.175 191 F HN -0.029 nan 8.300 nan 0.000 0.569 192 L N 1.023 122.408 121.223 0.269 0.000 2.469 192 L HA 0.533 4.873 4.340 0.001 0.000 0.253 192 L C 0.253 177.259 176.870 0.228 0.000 1.143 192 L CA -0.575 54.392 54.840 0.212 0.000 0.804 192 L CB 1.318 43.480 42.059 0.171 0.000 1.214 192 L HN 0.736 nan 8.230 nan 0.000 0.476 193 T N -1.035 113.654 114.554 0.225 0.000 2.900 193 T HA 0.717 5.068 4.350 0.001 0.000 0.295 193 T C -0.624 174.243 174.700 0.279 0.000 1.044 193 T CA -0.705 61.567 62.100 0.285 0.000 0.995 193 T CB 1.834 70.966 68.868 0.441 0.000 1.072 193 T HN 0.522 nan 8.240 nan 0.000 0.473 194 V N -1.920 118.187 119.914 0.320 0.000 3.181 194 V HA 1.074 5.195 4.120 0.001 0.000 0.308 194 V C -0.860 175.388 176.094 0.257 0.000 1.214 194 V CA -1.132 61.320 62.300 0.253 0.000 1.053 194 V CB 1.186 33.156 31.823 0.245 0.000 1.069 194 V HN 1.784 nan 8.190 nan 0.000 0.441 195 A N -0.002 122.914 122.820 0.161 0.000 2.589 195 A HA 0.776 5.097 4.320 0.001 0.000 0.296 195 A C -1.364 176.309 177.584 0.150 0.000 1.062 195 A CA -0.652 51.464 52.037 0.131 0.000 0.686 195 A CB 1.055 20.071 19.000 0.025 0.000 1.282 195 A HN 1.211 nan 8.150 nan 0.000 0.404 196 H N 0.625 119.700 119.070 0.007 0.000 2.848 196 H HA 0.575 5.131 4.556 0.001 0.000 0.317 196 H C 0.441 175.844 175.328 0.126 0.000 1.046 196 H CA 1.397 57.516 56.048 0.118 0.000 1.470 196 H CB 1.025 30.866 29.762 0.132 0.000 1.483 196 H HN 1.069 nan 8.280 nan 0.000 0.548 197 A N 1.496 124.454 122.820 0.230 0.000 2.540 197 A HA 0.548 4.868 4.320 0.001 0.000 0.297 197 A C 0.720 178.394 177.584 0.150 0.000 1.056 197 A CA -0.256 51.900 52.037 0.198 0.000 0.700 197 A CB 0.768 19.862 19.000 0.157 0.000 1.280 197 A HN 1.074 nan 8.150 nan 0.000 0.398 198 G N 0.919 109.786 108.800 0.112 0.000 2.136 198 G HA2 -0.238 3.723 3.960 0.001 0.000 0.242 198 G HA3 -0.238 3.723 3.960 0.001 0.000 0.242 198 G C 0.606 175.499 174.900 -0.011 0.000 0.989 198 G CA 1.051 46.174 45.100 0.039 0.000 0.682 198 G HN 1.042 nan 8.290 nan 0.000 0.522 199 E N -0.350 119.826 120.200 -0.041 0.000 2.022 199 E HA 0.078 4.429 4.350 0.001 0.000 0.190 199 E C 1.890 178.369 176.600 -0.203 0.000 0.973 199 E CA 0.951 57.227 56.400 -0.207 0.000 0.816 199 E CB 0.142 29.600 29.700 -0.403 0.000 0.781 199 E HN 0.556 nan 8.360 nan 0.000 0.456 200 E N -0.572 119.539 120.200 -0.148 0.000 2.526 200 E HA 0.182 4.533 4.350 0.001 0.000 0.208 200 E C -0.048 176.464 176.600 -0.147 0.000 0.997 200 E CA -0.223 56.092 56.400 -0.142 0.000 0.961 200 E CB 1.385 31.022 29.700 -0.106 0.000 1.030 200 E HN 0.159 nan 8.360 nan 0.000 0.483 201 G N 2.144 110.858 108.800 -0.143 0.000 2.477 201 G HA2 0.381 4.341 3.960 0.001 0.000 0.304 201 G HA3 0.381 4.341 3.960 0.001 0.000 0.304 201 G C -2.696 172.013 174.900 -0.318 0.000 1.175 201 G CA -1.257 43.650 45.100 -0.321 0.000 0.907 201 G HN -0.153 nan 8.290 nan 0.000 0.509 202 P HA 0.198 nan 4.420 nan 0.000 0.272 202 P C -1.973 175.292 177.300 -0.058 0.000 1.240 202 P CA -1.325 61.631 63.100 -0.240 0.000 0.791 202 P CB 0.606 32.148 31.700 -0.263 0.000 0.978 203 P HA -0.155 nan 4.420 nan 0.000 0.221 203 P C 1.046 178.540 177.300 0.322 0.000 1.145 203 P CA 1.385 64.574 63.100 0.148 0.000 0.795 203 P CB -0.048 31.760 31.700 0.180 0.000 0.775 204 E N -1.813 118.569 120.200 0.302 0.000 2.110 204 E HA -0.189 4.161 4.350 0.001 0.000 0.193 204 E C 1.632 178.512 176.600 0.467 0.000 0.988 204 E CA 1.119 57.752 56.400 0.389 0.000 0.804 204 E CB -0.827 29.027 29.700 0.257 0.000 0.745 204 E HN 0.324 nan 8.360 nan 0.000 0.458 205 Y N 0.163 120.544 120.300 0.135 0.000 2.293 205 Y HA -0.067 4.484 4.550 0.001 0.000 0.291 205 Y C 1.949 177.902 175.900 0.088 0.000 1.137 205 Y CA 0.352 58.510 58.100 0.097 0.000 1.202 205 Y CB -0.442 38.060 38.460 0.070 0.000 0.990 205 Y HN 0.084 nan 8.280 nan 0.000 0.537 206 I N -2.290 118.421 120.570 0.235 0.000 2.252 206 I HA -0.319 3.851 4.170 0.001 0.000 0.245 206 I C 2.062 178.198 176.117 0.030 0.000 1.102 206 I CA 1.298 62.639 61.300 0.069 0.000 1.385 206 I CB -0.684 37.287 38.000 -0.048 0.000 1.064 206 I HN 0.208 nan 8.210 nan 0.000 0.414 207 W N 1.783 123.131 121.300 0.079 0.000 2.335 207 W HA -0.189 4.471 4.660 0.001 0.000 0.311 207 W C 2.635 179.176 176.519 0.036 0.000 1.213 207 W CA 1.240 58.617 57.345 0.054 0.000 1.274 207 W CB -0.338 29.152 29.460 0.050 0.000 1.148 207 W HN 0.099 nan 8.180 nan 0.000 0.498 208 E N -0.146 120.212 120.200 0.263 0.000 2.051 208 E HA -0.235 4.116 4.350 0.001 0.000 0.192 208 E C 2.326 178.957 176.600 0.053 0.000 0.991 208 E CA 1.350 57.820 56.400 0.117 0.000 0.799 208 E CB -0.602 29.116 29.700 0.029 0.000 0.748 208 E HN 0.248 nan 8.360 nan 0.000 0.449 209 A N 1.137 123.978 122.820 0.035 0.000 1.940 209 A HA -0.182 4.139 4.320 0.001 0.000 0.219 209 A C 2.179 179.775 177.584 0.020 0.000 1.176 209 A CA 1.166 53.197 52.037 -0.009 0.000 0.631 209 A CB -0.579 18.427 19.000 0.010 0.000 0.814 209 A HN 0.139 nan 8.150 nan 0.000 0.446 210 L N -1.132 120.115 121.223 0.039 0.000 2.072 210 L HA -0.105 4.235 4.340 0.001 0.000 0.205 210 L C 1.822 178.740 176.870 0.079 0.000 1.079 210 L CA 1.444 56.309 54.840 0.041 0.000 0.752 210 L CB -0.317 41.736 42.059 -0.010 0.000 0.906 210 L HN 0.351 nan 8.230 nan 0.000 0.436 211 D N -0.957 119.510 120.400 0.112 0.000 2.394 211 D HA 0.055 4.695 4.640 0.001 0.000 0.226 211 D C 2.324 178.672 176.300 0.080 0.000 0.990 211 D CA 0.642 54.712 54.000 0.117 0.000 0.902 211 D CB 0.465 41.365 40.800 0.167 0.000 1.038 211 D HN 0.223 nan 8.370 nan 0.000 0.499 212 L N 0.345 121.602 121.223 0.057 0.000 2.168 212 L HA 0.104 4.445 4.340 0.001 0.000 0.203 212 L C 2.290 179.174 176.870 0.023 0.000 1.078 212 L CA 0.542 55.399 54.840 0.028 0.000 0.780 212 L CB -0.033 42.024 42.059 -0.004 0.000 0.939 212 L HN -0.076 nan 8.230 nan 0.000 0.451 213 L N -0.608 120.609 121.223 -0.011 0.000 2.477 213 L HA 0.052 4.392 4.340 0.001 0.000 0.220 213 L C 0.396 177.335 176.870 0.115 0.000 1.106 213 L CA 0.124 54.953 54.840 -0.018 0.000 0.851 213 L CB -0.125 41.771 42.059 -0.273 0.000 0.994 213 L HN 0.235 nan 8.230 nan 0.000 0.462 214 K N 0.975 121.430 120.400 0.091 0.000 3.257 214 K HA -0.139 4.182 4.320 0.001 0.000 0.270 214 K C -0.094 176.584 176.600 0.130 0.000 0.984 214 K CA 0.314 56.666 56.287 0.108 0.000 0.739 214 K CB -2.011 30.558 32.500 0.116 0.000 1.351 214 K HN 0.313 nan 8.250 nan 0.000 0.463 215 V N -1.720 118.265 119.914 0.118 0.000 2.775 215 V HA 0.131 4.252 4.120 0.001 0.000 0.299 215 V C 1.586 177.746 176.094 0.110 0.000 1.062 215 V CA -0.366 62.017 62.300 0.139 0.000 1.063 215 V CB 1.481 33.379 31.823 0.126 0.000 0.994 215 V HN 0.168 nan 8.190 nan 0.000 0.483 216 E N 2.824 123.097 120.200 0.122 0.000 2.208 216 E HA -0.009 4.342 4.350 0.001 0.000 0.193 216 E C 0.765 177.413 176.600 0.079 0.000 0.988 216 E CA 1.129 57.586 56.400 0.096 0.000 0.828 216 E CB -0.053 29.708 29.700 0.102 0.000 0.763 216 E HN 0.925 nan 8.360 nan 0.000 0.478 217 R N -0.858 119.696 120.500 0.090 0.000 2.716 217 R HA 0.475 4.815 4.340 0.001 0.000 0.271 217 R C -0.892 175.454 176.300 0.077 0.000 1.028 217 R CA -0.758 55.386 56.100 0.073 0.000 0.883 217 R CB 0.847 31.191 30.300 0.073 0.000 1.250 217 R HN -0.235 nan 8.270 nan 0.000 0.465 218 I N 1.489 122.095 120.570 0.061 0.000 2.392 218 I HA 0.311 4.481 4.170 0.001 0.000 0.295 218 I C -0.573 175.587 176.117 0.071 0.000 0.985 218 I CA -0.550 60.786 61.300 0.061 0.000 1.221 218 I CB 1.683 39.707 38.000 0.040 0.000 1.366 218 I HN 0.632 nan 8.210 nan 0.000 0.467 219 D N 5.383 125.817 120.400 0.055 0.000 2.233 219 D HA 0.356 4.997 4.640 0.001 0.000 0.240 219 D C 0.464 176.839 176.300 0.124 0.000 1.074 219 D CA -0.027 53.980 54.000 0.011 0.000 0.838 219 D CB 1.371 41.950 40.800 -0.368 0.000 1.124 219 D HN 0.621 nan 8.370 nan 0.000 0.475 220 H N 1.956 121.101 119.070 0.125 0.000 1.967 220 H HA -0.284 4.272 4.556 0.001 0.000 0.090 220 H C 1.342 176.703 175.328 0.056 0.000 0.617 220 H CA 1.883 57.968 56.048 0.061 0.000 1.836 220 H CB -1.216 28.578 29.762 0.053 0.000 2.161 220 H HN 0.712 nan 8.280 nan 0.000 0.950 221 G N -0.301 108.624 108.800 0.208 0.000 2.168 221 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 221 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 221 G C 1.161 176.119 174.900 0.096 0.000 0.997 221 G CA 1.782 46.950 45.100 0.113 0.000 0.708 221 G HN 1.340 nan 8.290 nan 0.000 0.520 222 V N -2.224 117.753 119.914 0.105 0.000 2.594 222 V HA -0.004 4.117 4.120 0.001 0.000 0.253 222 V C 2.205 178.342 176.094 0.073 0.000 1.069 222 V CA 2.258 64.611 62.300 0.089 0.000 1.082 222 V CB -0.507 31.375 31.823 0.099 0.000 0.680 222 V HN 0.494 nan 8.190 nan 0.000 0.469 223 R N 0.677 121.193 120.500 0.028 0.000 2.325 223 R HA 0.403 4.743 4.340 0.001 0.000 0.214 223 R C 1.965 178.307 176.300 0.069 0.000 0.961 223 R CA 0.609 56.723 56.100 0.024 0.000 1.086 223 R CB -0.207 30.067 30.300 -0.044 0.000 1.037 223 R HN 0.634 nan 8.270 nan 0.000 0.493 224 A N 0.171 123.045 122.820 0.091 0.000 2.167 224 A HA -0.067 4.254 4.320 0.001 0.000 0.214 224 A C 1.616 179.273 177.584 0.122 0.000 1.151 224 A CA 0.307 52.385 52.037 0.068 0.000 0.735 224 A CB -0.378 18.636 19.000 0.023 0.000 0.802 224 A HN 0.362 nan 8.150 nan 0.000 0.467 225 F N 0.913 120.868 119.950 0.008 0.000 2.365 225 F HA -0.128 4.399 4.527 0.001 0.000 0.300 225 F C 2.087 177.900 175.800 0.022 0.000 1.090 225 F CA 1.594 59.605 58.000 0.018 0.000 1.408 225 F CB 0.148 39.167 39.000 0.031 0.000 1.060 225 F HN 0.378 nan 8.300 nan 0.000 0.534 226 E N -0.913 119.343 120.200 0.093 0.000 2.152 226 E HA -0.168 4.183 4.350 0.001 0.000 0.192 226 E C 0.335 176.933 176.600 -0.004 0.000 0.983 226 E CA 0.630 57.048 56.400 0.030 0.000 0.818 226 E CB -0.076 29.655 29.700 0.052 0.000 0.758 226 E HN 0.145 nan 8.360 nan 0.000 0.467 227 D N 0.560 120.976 120.400 0.028 0.000 2.412 227 D HA 0.013 4.653 4.640 0.001 0.000 0.224 227 D C 0.595 176.919 176.300 0.040 0.000 1.093 227 D CA -0.063 53.983 54.000 0.078 0.000 0.850 227 D CB 0.941 41.860 40.800 0.198 0.000 1.046 227 D HN -0.132 nan 8.370 nan 0.000 0.507 228 E N 3.183 123.394 120.200 0.019 0.000 2.072 228 E HA -0.167 4.184 4.350 0.001 0.000 0.191 228 E C 1.723 178.355 176.600 0.054 0.000 0.985 228 E CA 0.647 57.043 56.400 -0.006 0.000 0.801 228 E CB 0.049 29.737 29.700 -0.021 0.000 0.750 228 E HN 0.554 nan 8.360 nan 0.000 0.452 229 R N 0.532 121.110 120.500 0.130 0.000 2.083 229 R HA -0.127 4.214 4.340 0.001 0.000 0.237 229 R C 1.443 177.895 176.300 0.254 0.000 1.137 229 R CA 0.513 56.737 56.100 0.206 0.000 0.951 229 R CB -0.433 30.021 30.300 0.258 0.000 0.851 229 R HN 0.053 nan 8.270 nan 0.000 0.434 233 R N 1.499 121.994 120.500 -0.008 0.000 2.073 233 R HA 0.049 4.389 4.340 0.001 0.000 0.234 233 R C 2.031 178.302 176.300 -0.048 0.000 1.134 233 R CA 1.645 57.730 56.100 -0.025 0.000 0.952 233 R CB -0.334 29.925 30.300 -0.067 0.000 0.850 233 R HN 0.101 nan 8.270 nan 0.000 0.433 234 L N 0.558 121.732 121.223 -0.081 0.000 2.081 234 L HA -0.243 4.098 4.340 0.001 0.000 0.212 234 L C 2.424 179.284 176.870 -0.018 0.000 1.080 234 L CA 1.461 56.266 54.840 -0.058 0.000 0.754 234 L CB -0.385 41.640 42.059 -0.058 0.000 0.893 234 L HN 0.312 nan 8.230 nan 0.000 0.433 235 I N -0.805 119.761 120.570 -0.007 0.000 2.277 235 I HA -0.200 3.970 4.170 0.001 0.000 0.243 235 I C 2.049 178.172 176.117 0.010 0.000 1.094 235 I CA 0.859 62.163 61.300 0.008 0.000 1.393 235 I CB -0.476 37.531 38.000 0.013 0.000 1.078 235 I HN 0.166 nan 8.210 nan 0.000 0.417 236 D N 1.252 121.658 120.400 0.010 0.000 2.149 236 D HA -0.188 4.453 4.640 0.001 0.000 0.198 236 D C 1.860 178.169 176.300 0.015 0.000 0.990 236 D CA 1.375 55.384 54.000 0.015 0.000 0.839 236 D CB -0.177 40.636 40.800 0.021 0.000 0.948 236 D HN 0.478 nan 8.370 nan 0.000 0.460 237 E N -0.134 120.072 120.200 0.010 0.000 2.472 237 E HA 0.019 4.369 4.350 0.001 0.000 0.196 237 E C -0.023 176.584 176.600 0.012 0.000 1.033 237 E CA -0.091 56.317 56.400 0.013 0.000 0.886 237 E CB 0.371 30.077 29.700 0.010 0.000 0.944 237 E HN 0.027 nan 8.360 nan 0.000 0.492 238 Q N 0.209 120.015 119.800 0.010 0.000 2.452 238 Q HA -0.199 4.142 4.340 0.001 0.000 0.318 238 Q C -0.595 175.413 176.000 0.013 0.000 1.386 238 Q CA 0.823 56.634 55.803 0.013 0.000 0.872 238 Q CB -1.974 26.773 28.738 0.015 0.000 1.151 238 Q HN 0.446 nan 8.270 nan 0.000 0.417 239 I N 1.822 122.396 120.570 0.007 0.000 2.379 239 I HA 0.119 4.290 4.170 0.001 0.000 0.290 239 I C -1.726 174.400 176.117 0.015 0.000 1.063 239 I CA -1.792 59.514 61.300 0.009 0.000 1.351 239 I CB 0.711 38.708 38.000 -0.006 0.000 1.410 239 I HN -0.096 nan 8.210 nan 0.000 0.505 240 P HA 0.125 nan 4.420 nan 0.000 0.267 240 P C -0.955 176.367 177.300 0.036 0.000 1.205 240 P CA -0.193 62.924 63.100 0.030 0.000 0.765 240 P CB 0.506 32.226 31.700 0.034 0.000 0.828 241 L N 3.483 124.727 121.223 0.035 0.000 2.305 241 L HA 0.345 4.686 4.340 0.001 0.000 0.284 241 L C 0.609 177.505 176.870 0.043 0.000 1.013 241 L CA 0.052 54.919 54.840 0.045 0.000 0.819 241 L CB 1.053 43.139 42.059 0.045 0.000 1.227 241 L HN 0.328 nan 8.230 nan 0.000 0.417 242 T N 1.214 115.808 114.554 0.068 0.000 2.997 242 T HA 0.506 4.857 4.350 0.001 0.000 0.311 242 T C 0.082 174.772 174.700 -0.017 0.000 1.079 242 T CA -0.608 61.536 62.100 0.073 0.000 0.982 242 T CB -0.207 68.771 68.868 0.182 0.000 1.032 242 T HN 0.153 nan 8.240 nan 0.000 0.581 243 V N 2.888 122.764 119.914 -0.064 0.000 2.686 243 V HA 0.387 4.507 4.120 0.001 0.000 0.295 243 V C 0.387 176.358 176.094 -0.205 0.000 1.057 243 V CA -0.847 61.396 62.300 -0.095 0.000 1.012 243 V CB 1.116 32.936 31.823 -0.005 0.000 1.006 243 V HN 1.031 nan 8.190 nan 0.000 0.477 244 C N 5.215 124.396 119.300 -0.200 0.000 2.653 244 C HA 0.347 4.807 4.460 0.001 0.000 0.291 244 C C -1.408 173.524 174.990 -0.098 0.000 1.064 244 C CA -0.933 57.956 59.018 -0.216 0.000 1.469 244 C CB 0.649 28.167 27.740 -0.369 0.000 1.861 244 C HN 0.661 nan 8.230 nan 0.000 0.434 245 P HA -0.129 nan 4.420 nan 0.000 0.213 245 P C 1.696 178.924 177.300 -0.119 0.000 1.170 245 P CA 1.426 64.352 63.100 -0.290 0.000 0.898 245 P CB 0.189 31.647 31.700 -0.403 0.000 0.787 246 L N -1.109 120.054 121.223 -0.100 0.000 2.131 246 L HA -0.152 4.189 4.340 0.001 0.000 0.210 246 L C 2.639 179.350 176.870 -0.264 0.000 1.092 246 L CA 1.530 56.325 54.840 -0.076 0.000 0.759 246 L CB -1.017 41.064 42.059 0.036 0.000 0.903 246 L HN 0.102 nan 8.230 nan 0.000 0.435 247 S N 0.549 116.019 115.700 -0.383 0.000 2.343 247 S HA -0.189 4.281 4.470 0.001 0.000 0.219 247 S C 1.830 176.117 174.600 -0.522 0.000 1.033 247 S CA 1.680 59.339 58.200 -0.901 0.000 1.014 247 S CB -0.205 62.736 63.200 -0.431 0.000 0.915 247 S HN 0.442 nan 8.310 nan 0.000 0.435 248 N N 0.751 119.369 118.700 -0.136 0.000 2.184 248 N HA -0.089 4.651 4.740 0.001 0.000 0.190 248 N C 1.749 177.282 175.510 0.039 0.000 1.011 248 N CA 1.738 54.810 53.050 0.037 0.000 0.867 248 N CB -1.159 37.567 38.487 0.397 0.000 0.993 248 N HN 0.456 nan 8.380 nan 0.000 0.433 249 T N 1.042 115.600 114.554 0.007 0.000 2.770 249 T HA 0.011 4.361 4.350 0.001 0.000 0.258 249 T C 1.708 176.379 174.700 -0.050 0.000 1.039 249 T CA 0.776 62.887 62.100 0.018 0.000 1.143 249 T CB 0.126 69.003 68.868 0.016 0.000 0.866 249 T HN 0.050 nan 8.240 nan 0.000 0.428 250 K N 1.377 121.680 120.400 -0.161 0.000 2.211 250 K HA 0.144 4.464 4.320 0.001 0.000 0.203 250 K C 1.699 178.281 176.600 -0.030 0.000 1.050 250 K CA 0.719 56.961 56.287 -0.075 0.000 0.945 250 K CB -0.398 32.035 32.500 -0.112 0.000 0.732 250 K HN 0.376 nan 8.250 nan 0.000 0.451 251 L N -0.466 120.631 121.223 -0.208 0.000 2.628 251 L HA 0.063 4.404 4.340 0.001 0.000 0.229 251 L C 0.171 176.993 176.870 -0.080 0.000 1.137 251 L CA -0.273 54.481 54.840 -0.144 0.000 0.909 251 L CB -0.206 41.680 42.059 -0.289 0.000 1.137 251 L HN 0.087 nan 8.230 nan 0.000 0.470 252 C N -1.180 118.088 119.300 -0.053 0.000 4.358 252 C HA -0.173 4.288 4.460 0.001 0.000 0.287 252 C C 2.236 177.163 174.990 -0.105 0.000 1.414 252 C CA 0.271 59.267 59.018 -0.038 0.000 1.949 252 C CB -2.822 24.912 27.740 -0.010 0.000 1.274 252 C HN 0.422 nan 8.230 nan 0.000 0.793 253 V N -1.612 118.201 119.914 -0.167 0.000 2.427 253 V HA -0.066 4.054 4.120 0.001 0.000 0.248 253 V C 0.881 176.644 176.094 -0.551 0.000 1.051 253 V CA 1.991 64.080 62.300 -0.351 0.000 1.048 253 V CB -0.198 31.393 31.823 -0.386 0.000 0.666 253 V HN 0.561 nan 8.190 nan 0.000 0.456 254 F N -0.677 119.216 119.950 -0.095 0.000 2.532 254 F HA 0.424 4.951 4.527 0.001 0.000 0.321 254 F C 1.022 176.792 175.800 -0.050 0.000 1.089 254 F CA -1.002 56.948 58.000 -0.083 0.000 0.926 254 F CB 1.179 40.124 39.000 -0.092 0.000 1.168 254 F HN -0.171 nan 8.300 nan 0.000 0.459 255 D N 0.431 120.917 120.400 0.143 0.000 2.264 255 D HA -0.076 4.565 4.640 0.001 0.000 0.208 255 D C 0.143 176.488 176.300 0.074 0.000 0.966 255 D CA 1.570 55.615 54.000 0.076 0.000 0.864 255 D CB 0.228 41.058 40.800 0.051 0.000 0.933 255 D HN 0.639 nan 8.370 nan 0.000 0.499 259 Q N 1.291 121.024 119.800 -0.111 0.000 2.356 259 Q HA 0.285 4.626 4.340 0.001 0.000 0.205 259 Q C 0.055 175.771 176.000 -0.473 0.000 0.901 259 Q CA 0.185 55.907 55.803 -0.134 0.000 0.938 259 Q CB -0.242 28.524 28.738 0.046 0.000 1.081 259 Q HN 0.724 nan 8.270 nan 0.000 0.517 260 H N 1.401 120.027 119.070 -0.740 0.000 2.848 260 H HA 0.023 4.580 4.556 0.001 0.000 0.341 260 H C 0.542 175.430 175.328 -0.732 0.000 1.060 260 H CA 1.101 56.433 56.048 -1.193 0.000 1.444 260 H CB 0.911 30.194 29.762 -0.798 0.000 1.446 260 H HN 0.049 nan 8.280 nan 0.000 0.583 261 T N 2.058 116.164 114.554 -0.748 0.000 3.186 261 T HA 0.073 4.424 4.350 0.001 0.000 0.257 261 T C 1.942 176.471 174.700 -0.285 0.000 1.029 261 T CA -0.225 61.557 62.100 -0.529 0.000 0.916 261 T CB -0.352 67.981 68.868 -0.892 0.000 1.041 261 T HN 0.611 nan 8.240 nan 0.000 0.562 262 I N 0.630 121.226 120.570 0.042 0.000 2.252 262 I HA -0.045 4.126 4.170 0.001 0.000 0.245 262 I C 1.925 178.003 176.117 -0.064 0.000 1.102 262 I CA 1.267 62.576 61.300 0.014 0.000 1.385 262 I CB 0.014 37.979 38.000 -0.059 0.000 1.064 262 I HN 0.279 nan 8.210 nan 0.000 0.414 263 L N 0.172 121.344 121.223 -0.086 0.000 2.109 263 L HA -0.090 4.251 4.340 0.001 0.000 0.207 263 L C 1.059 177.907 176.870 -0.037 0.000 1.086 263 L CA 0.441 55.243 54.840 -0.064 0.000 0.760 263 L CB -0.990 41.028 42.059 -0.068 0.000 0.910 263 L HN 0.251 nan 8.230 nan 0.000 0.437 267 E N 0.999 121.222 120.200 0.040 0.000 2.333 267 E HA -0.047 4.304 4.350 0.001 0.000 0.198 267 E C 1.416 178.048 176.600 0.052 0.000 1.007 267 E CA 0.841 57.266 56.400 0.042 0.000 0.845 267 E CB -0.084 29.639 29.700 0.039 0.000 0.766 267 E HN 0.511 nan 8.360 nan 0.000 0.507 268 R N -0.796 119.746 120.500 0.071 0.000 2.334 268 R HA 0.134 4.475 4.340 0.001 0.000 0.216 268 R C 0.965 177.295 176.300 0.050 0.000 0.905 268 R CA 0.533 56.674 56.100 0.067 0.000 1.064 268 R CB 0.612 30.970 30.300 0.097 0.000 1.046 268 R HN 0.177 nan 8.270 nan 0.000 0.508 269 G N 0.880 109.708 108.800 0.046 0.000 2.141 269 G HA2 -0.232 3.728 3.960 0.001 0.000 0.231 269 G HA3 -0.232 3.728 3.960 0.001 0.000 0.231 269 G C 0.139 175.060 174.900 0.035 0.000 0.984 269 G CA -0.155 44.966 45.100 0.035 0.000 0.660 269 G HN 0.112 nan 8.290 nan 0.000 0.525 270 V N 0.818 120.759 119.914 0.045 0.000 2.572 270 V HA 0.247 4.368 4.120 0.001 0.000 0.291 270 V C 1.327 177.440 176.094 0.032 0.000 1.039 270 V CA 0.370 62.695 62.300 0.041 0.000 1.055 270 V CB 1.572 33.432 31.823 0.062 0.000 0.969 270 V HN 0.329 nan 8.190 nan 0.000 0.482 271 K N 4.544 124.959 120.400 0.025 0.000 2.449 271 K HA 0.209 4.530 4.320 0.001 0.000 0.237 271 K C -0.139 176.474 176.600 0.021 0.000 1.265 271 K CA -0.326 55.974 56.287 0.022 0.000 1.193 271 K CB -0.187 32.325 32.500 0.020 0.000 1.515 271 K HN 0.700 nan 8.250 nan 0.000 0.259 272 V N -0.207 119.717 119.914 0.016 0.000 2.834 272 V HA 0.462 4.582 4.120 0.001 0.000 0.301 272 V C 0.182 176.269 176.094 -0.011 0.000 1.066 272 V CA -0.490 61.813 62.300 0.005 0.000 1.052 272 V CB 1.249 33.071 31.823 -0.003 0.000 1.021 272 V HN 0.543 nan 8.190 nan 0.000 0.480 273 T N 0.316 114.856 114.554 -0.023 0.000 2.901 273 T HA 0.748 5.099 4.350 0.001 0.000 0.293 273 T C -0.737 173.903 174.700 -0.100 0.000 1.084 273 T CA -0.766 61.314 62.100 -0.033 0.000 1.008 273 T CB 1.664 70.540 68.868 0.014 0.000 1.170 273 T HN 0.788 nan 8.240 nan 0.000 0.509 274 V N 2.322 122.154 119.914 -0.138 0.000 2.435 274 V HA 0.652 4.773 4.120 0.001 0.000 0.290 274 V C -0.662 175.396 176.094 -0.060 0.000 1.030 274 V CA -0.720 61.435 62.300 -0.241 0.000 0.881 274 V CB 1.014 32.412 31.823 -0.708 0.000 0.983 274 V HN 1.019 nan 8.190 nan 0.000 0.445 275 N N 1.068 119.718 118.700 -0.083 0.000 2.494 275 N HA 0.381 5.121 4.740 0.001 0.000 0.270 275 N C 0.481 175.973 175.510 -0.029 0.000 1.285 275 N CA -0.359 52.681 53.050 -0.016 0.000 0.812 275 N CB 1.900 40.371 38.487 -0.027 0.000 1.557 275 N HN 0.569 nan 8.380 nan 0.000 0.487 276 S N -0.603 115.119 115.700 0.037 0.000 2.501 276 S HA 0.023 4.494 4.470 0.001 0.000 0.220 276 S C 0.808 175.444 174.600 0.061 0.000 0.997 276 S CA 0.855 59.078 58.200 0.038 0.000 0.919 276 S CB -0.097 63.109 63.200 0.010 0.000 0.778 276 S HN 0.690 nan 8.310 nan 0.000 0.523 277 D N 2.026 122.465 120.400 0.065 0.000 4.428 277 D HA -0.206 4.434 4.640 0.001 0.000 0.207 277 D C -0.947 175.509 176.300 0.259 0.000 0.964 277 D CA 2.316 56.442 54.000 0.211 0.000 2.109 277 D CB -1.576 39.306 40.800 0.135 0.000 1.140 277 D HN 0.549 nan 8.370 nan 0.000 0.408 278 D N 0.480 120.909 120.400 0.049 0.000 2.552 278 D HA 0.262 4.902 4.640 0.001 0.000 0.285 278 D C -1.997 174.051 176.300 -0.419 0.000 1.206 278 D CA -1.028 52.825 54.000 -0.244 0.000 0.826 278 D CB 1.667 42.093 40.800 -0.622 0.000 1.179 278 D HN 0.177 nan 8.370 nan 0.000 0.508 279 P HA -0.197 nan 4.420 nan 0.000 0.216 279 P C 1.484 178.567 177.300 -0.362 0.000 1.157 279 P CA 1.217 63.990 63.100 -0.544 0.000 0.880 279 P CB 0.361 31.209 31.700 -1.418 0.000 0.791 280 A N -2.352 120.329 122.820 -0.232 0.000 2.070 280 A HA -0.177 4.143 4.320 0.001 0.000 0.220 280 A C 1.677 179.052 177.584 -0.349 0.000 1.159 280 A CA 1.380 53.332 52.037 -0.142 0.000 0.656 280 A CB -1.569 17.355 19.000 -0.128 0.000 0.800 280 A HN 0.215 nan 8.150 nan 0.000 0.453 281 Y N -2.892 117.132 120.300 -0.460 0.000 2.509 281 Y HA 0.197 4.748 4.550 0.001 0.000 0.270 281 Y C 0.969 176.691 175.900 -0.295 0.000 1.103 281 Y CA 0.258 57.945 58.100 -0.688 0.000 1.278 281 Y CB 0.328 38.354 38.460 -0.724 0.000 1.087 281 Y HN 0.304 nan 8.280 nan 0.000 0.542 282 F N -0.968 119.015 119.950 0.055 0.000 2.661 282 F HA 0.456 4.984 4.527 0.001 0.000 0.306 282 F C 1.520 177.365 175.800 0.074 0.000 1.094 282 F CA -0.545 57.491 58.000 0.060 0.000 1.254 282 F CB -0.055 38.919 39.000 -0.042 0.000 1.040 282 F HN -0.027 nan 8.300 nan 0.000 0.562 283 G N 0.766 109.687 108.800 0.203 0.000 2.246 283 G HA2 0.105 4.066 3.960 0.001 0.000 0.273 283 G HA3 0.105 4.066 3.960 0.001 0.000 0.273 283 G C 0.361 175.375 174.900 0.191 0.000 1.055 283 G CA 0.085 45.300 45.100 0.192 0.000 0.851 283 G HN 0.947 nan 8.290 nan 0.000 0.500 284 G N -1.695 107.207 108.800 0.171 0.000 2.633 284 G HA2 0.610 4.571 3.960 0.001 0.000 0.299 284 G HA3 0.610 4.571 3.960 0.001 0.000 0.299 284 G C -0.825 174.161 174.900 0.142 0.000 1.501 284 G CA -0.647 44.584 45.100 0.219 0.000 0.887 284 G HN 0.351 nan 8.290 nan 0.000 0.561 285 Y N 0.514 120.902 120.300 0.147 0.000 2.534 285 Y HA 0.491 5.041 4.550 0.001 0.000 0.338 285 Y C 1.879 177.867 175.900 0.147 0.000 1.279 285 Y CA 0.015 58.203 58.100 0.147 0.000 1.436 285 Y CB 1.133 39.669 38.460 0.128 0.000 1.573 285 Y HN 0.402 nan 8.280 nan 0.000 0.567 286 V N 0.196 120.297 119.914 0.313 0.000 2.282 286 V HA -0.315 3.806 4.120 0.001 0.000 0.249 286 V C 1.669 177.937 176.094 0.289 0.000 1.057 286 V CA 3.067 65.521 62.300 0.256 0.000 1.032 286 V CB -0.758 31.206 31.823 0.234 0.000 0.645 286 V HN 1.029 nan 8.190 nan 0.000 0.447 287 T N -0.301 114.353 114.554 0.167 0.000 2.788 287 T HA -0.181 4.169 4.350 0.001 0.000 0.268 287 T C 1.689 176.491 174.700 0.170 0.000 1.044 287 T CA 1.788 63.911 62.100 0.039 0.000 1.139 287 T CB -0.282 68.460 68.868 -0.210 0.000 0.867 287 T HN 0.570 nan 8.240 nan 0.000 0.454 288 E N 1.268 121.616 120.200 0.246 0.000 2.077 288 E HA -0.049 4.301 4.350 0.001 0.000 0.193 288 E C 2.313 179.068 176.600 0.258 0.000 0.989 288 E CA 0.770 57.353 56.400 0.305 0.000 0.800 288 E CB -0.281 29.591 29.700 0.287 0.000 0.746 288 E HN 0.447 nan 8.360 nan 0.000 0.452 289 N N -0.358 118.461 118.700 0.198 0.000 2.104 289 N HA -0.154 4.587 4.740 0.001 0.000 0.190 289 N C 1.719 177.254 175.510 0.041 0.000 1.024 289 N CA 1.007 54.102 53.050 0.075 0.000 0.853 289 N CB -0.306 38.183 38.487 0.003 0.000 1.008 289 N HN 0.145 nan 8.380 nan 0.000 0.424 290 F N 1.139 121.107 119.950 0.031 0.000 2.095 290 F HA -0.194 4.334 4.527 0.001 0.000 0.298 290 F C 2.679 178.529 175.800 0.084 0.000 1.104 290 F CA 1.361 59.381 58.000 0.033 0.000 1.232 290 F CB -0.485 38.529 39.000 0.023 0.000 0.987 290 F HN 0.271 nan 8.300 nan 0.000 0.475 291 H N -0.478 118.729 119.070 0.229 0.000 2.423 291 H HA -0.076 4.480 4.556 0.001 0.000 0.297 291 H C 2.193 177.592 175.328 0.119 0.000 1.075 291 H CA 0.977 57.141 56.048 0.194 0.000 1.342 291 H CB 0.102 30.030 29.762 0.277 0.000 1.395 291 H HN 0.281 nan 8.280 nan 0.000 0.530 292 A N 1.060 123.933 122.820 0.089 0.000 1.930 292 A HA -0.093 4.227 4.320 0.001 0.000 0.217 292 A C 2.648 180.178 177.584 -0.090 0.000 1.175 292 A CA 0.848 52.873 52.037 -0.019 0.000 0.627 292 A CB -0.665 18.332 19.000 -0.004 0.000 0.815 292 A HN 0.384 nan 8.150 nan 0.000 0.443 293 L N -0.819 120.346 121.223 -0.096 0.000 2.056 293 L HA -0.212 4.128 4.340 0.001 0.000 0.207 293 L C 2.916 179.733 176.870 -0.089 0.000 1.078 293 L CA 1.628 56.390 54.840 -0.130 0.000 0.749 293 L CB -0.574 41.381 42.059 -0.172 0.000 0.901 293 L HN 0.533 nan 8.230 nan 0.000 0.433 294 Q N 0.412 120.177 119.800 -0.058 0.000 2.084 294 Q HA -0.236 4.105 4.340 0.001 0.000 0.202 294 Q C 2.065 177.996 176.000 -0.116 0.000 0.978 294 Q CA 1.733 57.500 55.803 -0.061 0.000 0.844 294 Q CB -0.005 28.721 28.738 -0.020 0.000 0.898 294 Q HN 0.600 nan 8.270 nan 0.000 0.426 295 Q N -0.815 118.873 119.800 -0.186 0.000 2.187 295 Q HA -0.008 4.333 4.340 0.001 0.000 0.199 295 Q C 1.824 177.765 176.000 -0.099 0.000 0.957 295 Q CA 1.357 57.060 55.803 -0.165 0.000 0.857 295 Q CB 0.352 28.959 28.738 -0.218 0.000 0.929 295 Q HN 0.242 nan 8.270 nan 0.000 0.453 296 S N -0.278 115.366 115.700 -0.093 0.000 2.514 296 S HA 0.202 4.673 4.470 0.001 0.000 0.223 296 S C 1.436 175.991 174.600 -0.075 0.000 1.046 296 S CA -0.012 58.143 58.200 -0.074 0.000 0.914 296 S CB 0.589 63.746 63.200 -0.072 0.000 0.807 296 S HN 0.186 nan 8.310 nan 0.000 0.497 297 L N 1.292 122.463 121.223 -0.086 0.000 2.766 297 L HA 0.331 4.671 4.340 0.001 0.000 0.242 297 L C 1.110 177.942 176.870 -0.064 0.000 1.136 297 L CA -0.072 54.719 54.840 -0.082 0.000 0.933 297 L CB -0.112 41.883 42.059 -0.105 0.000 1.241 297 L HN 0.423 nan 8.230 nan 0.000 0.522 301 E N 0.110 120.262 120.200 -0.080 0.000 2.153 301 E HA -0.163 4.187 4.350 0.001 0.000 0.194 301 E C 1.678 178.384 176.600 0.178 0.000 0.988 301 E CA 1.117 57.442 56.400 -0.125 0.000 0.811 301 E CB 0.076 29.473 29.700 -0.506 0.000 0.746 301 E HN 0.661 nan 8.360 nan 0.000 0.466 302 E N 0.922 121.177 120.200 0.091 0.000 2.152 302 E HA -0.168 4.183 4.350 0.001 0.000 0.192 302 E C 1.910 178.585 176.600 0.124 0.000 0.983 302 E CA 0.755 57.222 56.400 0.111 0.000 0.818 302 E CB 0.175 29.908 29.700 0.056 0.000 0.758 302 E HN 0.349 nan 8.360 nan 0.000 0.467 303 Q N -0.246 119.621 119.800 0.110 0.000 2.172 303 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 303 Q C 2.106 178.205 176.000 0.164 0.000 0.964 303 Q CA 1.074 56.938 55.803 0.102 0.000 0.855 303 Q CB -0.032 28.743 28.738 0.061 0.000 0.918 303 Q HN 0.219 nan 8.270 nan 0.000 0.444 304 A N 1.434 124.413 122.820 0.265 0.000 1.877 304 A HA -0.201 4.119 4.320 0.001 0.000 0.216 304 A C 1.990 179.750 177.584 0.294 0.000 1.186 304 A CA 1.274 53.552 52.037 0.402 0.000 0.620 304 A CB -0.396 18.944 19.000 0.567 0.000 0.822 304 A HN 0.203 nan 8.150 nan 0.000 0.443 305 R N -1.154 119.487 120.500 0.236 0.000 2.120 305 R HA -0.109 4.231 4.340 0.001 0.000 0.234 305 R C 2.476 178.833 176.300 0.095 0.000 1.123 305 R CA 1.568 57.738 56.100 0.116 0.000 0.975 305 R CB -0.244 30.140 30.300 0.140 0.000 0.866 305 R HN 0.503 nan 8.270 nan 0.000 0.446 306 R N 0.669 121.236 120.500 0.112 0.000 2.062 306 R HA -0.020 4.321 4.340 0.001 0.000 0.229 306 R C 2.283 178.634 176.300 0.085 0.000 1.128 306 R CA 1.005 57.153 56.100 0.080 0.000 0.960 306 R CB -0.154 30.187 30.300 0.068 0.000 0.855 306 R HN 0.127 nan 8.270 nan 0.000 0.432 307 L N -0.153 121.142 121.223 0.120 0.000 1.989 307 L HA -0.181 4.160 4.340 0.001 0.000 0.211 307 L C 2.633 179.616 176.870 0.188 0.000 1.071 307 L CA 1.471 56.383 54.840 0.118 0.000 0.749 307 L CB -0.670 41.429 42.059 0.068 0.000 0.890 307 L HN 0.308 nan 8.230 nan 0.000 0.431 308 A N -0.456 122.523 122.820 0.264 0.000 1.908 308 A HA -0.313 4.007 4.320 0.001 0.000 0.218 308 A C 2.212 179.829 177.584 0.056 0.000 1.181 308 A CA 2.144 54.268 52.037 0.145 0.000 0.627 308 A CB -0.592 18.384 19.000 -0.041 0.000 0.818 308 A HN 0.426 nan 8.150 nan 0.000 0.445 309 Q N 0.314 120.139 119.800 0.042 0.000 2.119 309 Q HA -0.098 4.242 4.340 0.001 0.000 0.201 309 Q C 1.749 177.760 176.000 0.018 0.000 0.972 309 Q CA 2.042 57.854 55.803 0.016 0.000 0.847 309 Q CB -0.618 28.130 28.738 0.017 0.000 0.903 309 Q HN 0.820 nan 8.270 nan 0.000 0.433 310 N N -0.764 117.956 118.700 0.034 0.000 2.069 310 N HA -0.189 4.551 4.740 0.001 0.000 0.191 310 N C 1.687 177.209 175.510 0.019 0.000 1.031 310 N CA 1.393 54.458 53.050 0.026 0.000 0.852 310 N CB -0.165 38.340 38.487 0.030 0.000 1.018 310 N HN 0.393 nan 8.380 nan 0.000 0.423 311 S N 1.347 117.068 115.700 0.036 0.000 2.383 311 S HA -0.104 4.366 4.470 0.001 0.000 0.229 311 S C 1.993 176.587 174.600 -0.011 0.000 1.030 311 S CA 0.787 59.006 58.200 0.031 0.000 1.002 311 S CB -0.666 62.577 63.200 0.071 0.000 0.829 311 S HN 0.242 nan 8.310 nan 0.000 0.467 312 L N 1.356 122.566 121.223 -0.022 0.000 2.056 312 L HA -0.086 4.255 4.340 0.001 0.000 0.207 312 L C 2.344 179.171 176.870 -0.072 0.000 1.078 312 L CA 1.611 56.413 54.840 -0.064 0.000 0.749 312 L CB -0.716 41.313 42.059 -0.050 0.000 0.901 312 L HN 0.284 nan 8.230 nan 0.000 0.433 313 D N 0.286 120.664 120.400 -0.038 0.000 2.219 313 D HA -0.102 4.539 4.640 0.001 0.000 0.205 313 D C 1.889 178.171 176.300 -0.031 0.000 0.970 313 D CA 1.280 55.262 54.000 -0.030 0.000 0.851 313 D CB 0.107 40.901 40.800 -0.010 0.000 0.943 313 D HN 0.303 nan 8.370 nan 0.000 0.488 314 A N 0.338 123.141 122.820 -0.028 0.000 2.275 314 A HA 0.085 4.405 4.320 0.001 0.000 0.212 314 A C 0.939 178.508 177.584 -0.026 0.000 1.201 314 A CA -0.230 51.800 52.037 -0.012 0.000 0.843 314 A CB -0.084 18.922 19.000 0.009 0.000 0.873 314 A HN 0.001 nan 8.150 nan 0.000 0.492 315 R N -0.248 120.200 120.500 -0.087 0.000 2.623 315 R HA 0.208 4.548 4.340 0.001 0.000 0.271 315 R C 0.393 176.664 176.300 -0.049 0.000 1.043 315 R CA -0.060 55.958 56.100 -0.138 0.000 1.083 315 R CB 0.363 30.421 30.300 -0.404 0.000 0.974 315 R HN 0.366 nan 8.270 nan 0.000 0.436 316 L N 2.529 123.764 121.223 0.019 0.000 2.558 316 L HA 0.127 4.467 4.340 0.001 0.000 0.225 316 L C 0.597 177.499 176.870 0.053 0.000 1.128 316 L CA 0.200 55.070 54.840 0.050 0.000 0.868 316 L CB 0.301 42.413 42.059 0.089 0.000 1.006 316 L HN 0.380 nan 8.230 nan 0.000 0.454 317 V N 0.000 119.949 119.914 0.058 0.000 2.409 317 V HA 0.000 4.120 4.120 0.001 0.000 0.244 317 V CA 0.000 62.346 62.300 0.077 0.000 1.235 317 V CB 0.000 31.894 31.823 0.118 0.000 1.184 317 V HN 0.000 nan 8.190 nan 0.000 0.556