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 1b6s_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR ELARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGXXXXXG QWRLRANETE QLPAEcYGEc DATA SEQUENCE IVEQGINFSG EVSLVGARGF DGSTVFYPLT HNLHQDGILR TSVAFPQANA DATA SEQUENCE QQQARAEEML SAIMQELGYV GVMAMECFVT PQGLLINELA PRVHNSGHWT DATA SEQUENCE QNGASISQFE LHLRAITDLP LPQPVVNNPS VMINLIGSDV NYDWLKLPLV DATA SEQUENCE HLHWYDKEVR PGRKVGHLNL TDSDTSRLTA TLEALIPLLP PEYASGVIWA DATA SEQUENCE QSKFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.318 55.300 0.031 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 K N 1.924 122.349 120.400 0.041 0.000 2.389 2 K HA 0.517 4.838 4.320 0.000 0.000 0.261 2 K C -1.456 175.187 176.600 0.071 0.000 1.014 2 K CA -0.275 56.040 56.287 0.048 0.000 0.920 2 K CB 1.819 34.340 32.500 0.035 0.000 1.149 2 K HN 0.473 nan 8.250 nan 0.000 0.444 3 Q N 1.634 121.492 119.800 0.098 0.000 2.306 3 Q HA 0.576 4.917 4.340 0.000 0.000 0.265 3 Q C -0.799 175.290 176.000 0.148 0.000 1.022 3 Q CA -0.992 54.906 55.803 0.159 0.000 0.853 3 Q CB 2.664 31.530 28.738 0.215 0.000 1.327 3 Q HN 0.234 nan 8.270 nan 0.000 0.449 4 V N 0.916 120.943 119.914 0.188 0.000 2.888 4 V HA 0.416 4.536 4.120 0.000 0.000 0.309 4 V C -0.875 175.343 176.094 0.207 0.000 1.114 4 V CA -0.734 61.654 62.300 0.146 0.000 0.940 4 V CB 2.266 34.151 31.823 0.103 0.000 1.021 4 V HN 0.896 nan 8.190 nan 0.000 0.426 5 C N 3.249 122.611 119.300 0.104 0.000 2.456 5 C HA 0.810 5.271 4.460 0.000 0.000 0.325 5 C C -0.129 174.842 174.990 -0.033 0.000 1.217 5 C CA -0.575 58.487 59.018 0.074 0.000 1.687 5 C CB 1.485 29.216 27.740 -0.015 0.000 2.270 5 C HN 0.641 nan 8.230 nan 0.000 0.499 6 V N 4.345 124.245 119.914 -0.024 0.000 2.407 6 V HA 0.313 4.433 4.120 0.000 0.000 0.291 6 V C -0.300 175.708 176.094 -0.143 0.000 1.018 6 V CA -0.466 61.791 62.300 -0.072 0.000 0.842 6 V CB 1.432 33.248 31.823 -0.011 0.000 0.996 6 V HN 0.677 nan 8.190 nan 0.000 0.426 7 L N 5.249 126.316 121.223 -0.260 0.000 2.433 7 L HA 0.695 5.036 4.340 0.000 0.000 0.275 7 L C 0.629 177.384 176.870 -0.191 0.000 1.128 7 L CA 1.469 56.110 54.840 -0.332 0.000 0.875 7 L CB 0.080 41.769 42.059 -0.617 0.000 1.171 7 L HN 1.018 nan 8.230 nan 0.000 0.463 8 G N 3.690 112.409 108.800 -0.135 0.000 2.841 8 G HA2 -0.177 3.783 3.960 0.000 0.000 0.684 8 G HA3 -0.177 3.783 3.960 0.000 0.000 0.684 8 G C -0.147 174.717 174.900 -0.060 0.000 1.273 8 G CA -0.134 44.922 45.100 -0.073 0.000 0.811 8 G HN 0.753 nan 8.290 nan 0.000 0.631 9 N N -0.070 118.602 118.700 -0.048 0.000 2.184 9 N HA 0.270 5.010 4.740 0.000 0.000 0.206 9 N C 1.535 177.012 175.510 -0.056 0.000 1.151 9 N CA 0.263 53.287 53.050 -0.043 0.000 0.878 9 N CB 0.164 38.633 38.487 -0.030 0.000 1.014 9 N HN 0.929 nan 8.380 nan 0.000 0.512 10 G N 0.516 109.277 108.800 -0.065 0.000 2.631 10 G HA2 -0.132 3.829 3.960 0.000 0.000 0.271 10 G HA3 -0.132 3.829 3.960 0.000 0.000 0.271 10 G C 0.967 175.773 174.900 -0.157 0.000 1.302 10 G CA -0.156 44.887 45.100 -0.095 0.000 1.002 10 G HN 0.340 nan 8.290 nan 0.000 0.519 11 Q N -0.766 118.879 119.800 -0.259 0.000 2.170 11 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 11 Q C 2.359 178.132 176.000 -0.379 0.000 0.976 11 Q CA 1.246 56.774 55.803 -0.459 0.000 0.858 11 Q CB -0.422 27.680 28.738 -1.060 0.000 0.907 11 Q HN 0.565 nan 8.270 nan 0.000 0.433 12 L N 0.698 121.789 121.223 -0.219 0.000 2.093 12 L HA -0.042 4.298 4.340 0.000 0.000 0.208 12 L C 2.568 179.393 176.870 -0.076 0.000 1.085 12 L CA 1.153 55.952 54.840 -0.069 0.000 0.755 12 L CB -0.755 41.348 42.059 0.073 0.000 0.904 12 L HN 0.375 nan 8.230 nan 0.000 0.435 13 G N -0.346 108.401 108.800 -0.089 0.000 2.421 13 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 13 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 13 G C 1.730 176.557 174.900 -0.121 0.000 1.143 13 G CA 0.389 45.447 45.100 -0.070 0.000 0.784 13 G HN 0.261 nan 8.290 nan 0.000 0.541 14 R N -0.220 120.178 120.500 -0.169 0.000 2.073 14 R HA 0.024 4.364 4.340 0.000 0.000 0.234 14 R C 2.461 178.614 176.300 -0.246 0.000 1.134 14 R CA 1.508 57.500 56.100 -0.179 0.000 0.952 14 R CB -0.335 29.860 30.300 -0.175 0.000 0.850 14 R HN 0.343 nan 8.270 nan 0.000 0.433 15 M N 0.563 119.919 119.600 -0.407 0.000 2.117 15 M HA -0.156 4.324 4.480 0.000 0.000 0.262 15 M C 2.326 178.250 176.300 -0.627 0.000 1.065 15 M CA 1.511 56.383 55.300 -0.714 0.000 1.114 15 M CB -0.150 31.625 32.600 -1.375 0.000 1.361 15 M HN 0.232 nan 8.290 nan 0.000 0.408 16 L N -0.577 120.437 121.223 -0.349 0.000 2.046 16 L HA -0.233 4.107 4.340 0.000 0.000 0.208 16 L C 2.725 179.556 176.870 -0.065 0.000 1.077 16 L CA 1.339 56.159 54.840 -0.034 0.000 0.747 16 L CB -0.581 41.525 42.059 0.079 0.000 0.896 16 L HN 0.327 nan 8.230 nan 0.000 0.432 17 R N 0.077 120.510 120.500 -0.112 0.000 2.073 17 R HA -0.217 4.123 4.340 0.000 0.000 0.234 17 R C 2.224 178.453 176.300 -0.119 0.000 1.134 17 R CA 1.705 57.733 56.100 -0.120 0.000 0.952 17 R CB -0.174 30.039 30.300 -0.145 0.000 0.850 17 R HN 0.435 nan 8.270 nan 0.000 0.433 18 Q N -0.570 119.147 119.800 -0.138 0.000 2.181 18 Q HA -0.127 4.213 4.340 0.000 0.000 0.205 18 Q C 1.947 177.903 176.000 -0.073 0.000 0.980 18 Q CA 1.584 57.322 55.803 -0.109 0.000 0.862 18 Q CB -0.007 28.656 28.738 -0.125 0.000 0.905 18 Q HN 0.474 nan 8.270 nan 0.000 0.429 19 A N 0.130 122.909 122.820 -0.067 0.000 2.021 19 A HA 0.054 4.374 4.320 0.000 0.000 0.216 19 A C 2.127 179.719 177.584 0.014 0.000 1.163 19 A CA 1.102 53.141 52.037 0.003 0.000 0.676 19 A CB -0.420 18.630 19.000 0.082 0.000 0.818 19 A HN 0.439 nan 8.150 nan 0.000 0.453 20 G N -0.099 108.697 108.800 -0.006 0.000 2.408 20 G HA2 -0.139 3.822 3.960 0.000 0.000 0.215 20 G HA3 -0.139 3.822 3.960 0.000 0.000 0.215 20 G C 1.350 176.233 174.900 -0.028 0.000 1.156 20 G CA 0.965 46.060 45.100 -0.009 0.000 0.793 20 G HN 0.657 nan 8.290 nan 0.000 0.535 21 E N 1.282 121.451 120.200 -0.052 0.000 2.065 21 E HA -0.178 4.172 4.350 0.000 0.000 0.201 21 E C -0.104 176.478 176.600 -0.031 0.000 1.016 21 E CA 1.775 58.140 56.400 -0.057 0.000 0.818 21 E CB -0.589 29.067 29.700 -0.072 0.000 0.749 21 E HN 0.352 nan 8.360 nan 0.000 0.453 22 P HA -0.079 nan 4.420 nan 0.000 0.226 22 P C 0.987 178.288 177.300 0.002 0.000 1.153 22 P CA 0.745 63.843 63.100 -0.004 0.000 0.777 22 P CB 0.072 31.776 31.700 0.006 0.000 0.794 23 L N -1.662 119.562 121.223 0.003 0.000 2.509 23 L HA 0.298 4.639 4.340 0.000 0.000 0.222 23 L C 1.604 178.477 176.870 0.005 0.000 1.123 23 L CA 1.241 56.087 54.840 0.009 0.000 0.856 23 L CB -1.105 40.963 42.059 0.015 0.000 0.985 23 L HN 0.144 nan 8.230 nan 0.000 0.456 24 G N -0.207 108.591 108.800 -0.004 0.000 2.132 24 G HA2 -0.254 3.707 3.960 0.000 0.000 0.234 24 G HA3 -0.254 3.707 3.960 0.000 0.000 0.234 24 G C 0.312 175.210 174.900 -0.004 0.000 0.989 24 G CA 0.066 45.164 45.100 -0.004 0.000 0.676 24 G HN 0.256 nan 8.290 nan 0.000 0.522 25 I N 1.412 121.977 120.570 -0.009 0.000 2.312 25 I HA 0.567 4.737 4.170 0.000 0.000 0.290 25 I C 0.825 176.916 176.117 -0.043 0.000 1.008 25 I CA -0.538 60.758 61.300 -0.005 0.000 1.226 25 I CB 1.700 39.705 38.000 0.009 0.000 1.371 25 I HN 0.251 nan 8.210 nan 0.000 0.468 26 A N 7.201 129.995 122.820 -0.043 0.000 2.347 26 A HA 0.551 4.871 4.320 0.000 0.000 0.287 26 A C -0.286 177.189 177.584 -0.181 0.000 1.199 26 A CA -0.268 51.679 52.037 -0.150 0.000 0.851 26 A CB 0.238 19.219 19.000 -0.032 0.000 1.118 26 A HN 0.497 nan 8.150 nan 0.000 0.525 27 V N 3.236 122.950 119.914 -0.332 0.000 2.384 27 V HA 0.323 4.443 4.120 0.000 0.000 0.287 27 V C -1.039 174.827 176.094 -0.380 0.000 1.020 27 V CA -0.296 61.872 62.300 -0.220 0.000 0.850 27 V CB 0.951 32.709 31.823 -0.108 0.000 0.987 27 V HN 0.912 nan 8.190 nan 0.000 0.436 28 W N 7.018 128.304 121.300 -0.024 0.000 2.322 28 W HA 0.474 5.135 4.660 0.000 0.000 0.321 28 W C -2.384 174.103 176.519 -0.054 0.000 0.991 28 W CA -2.398 54.927 57.345 -0.033 0.000 1.448 28 W CB 0.944 30.387 29.460 -0.028 0.000 1.239 28 W HN 0.329 nan 8.180 nan 0.000 0.399 29 P HA 0.111 nan 4.420 nan 0.000 0.271 29 P C -0.485 176.844 177.300 0.047 0.000 1.216 29 P CA 0.057 63.180 63.100 0.037 0.000 0.771 29 P CB 1.149 32.843 31.700 -0.011 0.000 0.864 30 V N 0.678 120.582 119.914 -0.017 0.000 2.735 30 V HA 0.894 5.015 4.120 0.000 0.000 0.310 30 V C 0.082 176.132 176.094 -0.073 0.000 1.061 30 V CA -0.792 61.482 62.300 -0.043 0.000 0.913 30 V CB 1.761 33.528 31.823 -0.093 0.000 1.005 30 V HN 0.620 nan 8.190 nan 0.000 0.428 31 G N 2.407 111.174 108.800 -0.056 0.000 2.507 31 G HA2 0.467 4.427 3.960 0.000 0.000 0.271 31 G HA3 0.467 4.427 3.960 0.000 0.000 0.271 31 G C 0.421 175.275 174.900 -0.077 0.000 1.189 31 G CA -0.688 44.381 45.100 -0.053 0.000 0.859 31 G HN 1.022 nan 8.290 nan 0.000 0.542 32 L N 0.447 121.635 121.223 -0.058 0.000 2.156 32 L HA -0.003 4.338 4.340 0.000 0.000 0.208 32 L C 2.440 179.279 176.870 -0.051 0.000 1.095 32 L CA 1.119 55.923 54.840 -0.060 0.000 0.770 32 L CB -0.424 41.634 42.059 -0.002 0.000 0.914 32 L HN 0.599 nan 8.230 nan 0.000 0.439 33 D N 1.624 122.004 120.400 -0.033 0.000 2.221 33 D HA -0.145 4.495 4.640 0.000 0.000 0.204 33 D C 1.187 177.463 176.300 -0.041 0.000 0.982 33 D CA 0.900 54.884 54.000 -0.025 0.000 0.857 33 D CB -0.488 40.303 40.800 -0.015 0.000 0.934 33 D HN 0.303 nan 8.370 nan 0.000 0.475 34 A N 0.889 123.674 122.820 -0.058 0.000 2.624 34 A HA -0.108 4.213 4.320 0.000 0.000 0.231 34 A C 0.293 177.826 177.584 -0.085 0.000 1.034 34 A CA 0.377 52.371 52.037 -0.071 0.000 0.754 34 A CB -0.188 18.755 19.000 -0.095 0.000 0.953 34 A HN 0.219 nan 8.150 nan 0.000 0.509 35 E N 3.006 123.164 120.200 -0.069 0.000 2.167 35 E HA 0.248 4.599 4.350 0.000 0.000 0.284 35 E C -1.462 175.088 176.600 -0.083 0.000 1.016 35 E CA -2.081 54.280 56.400 -0.065 0.000 0.817 35 E CB 0.955 30.635 29.700 -0.035 0.000 1.080 35 E HN 0.475 nan 8.360 nan 0.000 0.397 36 P HA -0.236 nan 4.420 nan 0.000 0.219 36 P C 0.563 177.923 177.300 0.099 0.000 1.144 36 P CA 1.020 64.028 63.100 -0.153 0.000 0.806 36 P CB 0.203 31.803 31.700 -0.167 0.000 0.771 37 A N -0.760 122.093 122.820 0.054 0.000 2.218 37 A HA 0.374 4.694 4.320 0.000 0.000 0.209 37 A C 2.149 179.738 177.584 0.008 0.000 1.168 37 A CA 0.884 52.958 52.037 0.061 0.000 0.804 37 A CB -0.682 18.334 19.000 0.028 0.000 0.834 37 A HN 0.218 nan 8.150 nan 0.000 0.482 38 A N -0.319 122.491 122.820 -0.017 0.000 2.195 38 A HA 0.434 4.754 4.320 0.000 0.000 0.210 38 A C 0.710 178.223 177.584 -0.118 0.000 1.165 38 A CA 0.797 52.799 52.037 -0.058 0.000 0.806 38 A CB -0.304 18.671 19.000 -0.042 0.000 0.847 38 A HN 0.682 nan 8.150 nan 0.000 0.482 39 V N -2.092 117.780 119.914 -0.070 0.000 2.459 39 V HA 0.432 4.552 4.120 0.000 0.000 0.295 39 V C -2.592 173.454 176.094 -0.080 0.000 1.029 39 V CA -2.319 59.902 62.300 -0.131 0.000 0.874 39 V CB 1.462 33.263 31.823 -0.037 0.000 0.985 39 V HN 0.138 nan 8.190 nan 0.000 0.438 40 P HA 0.044 nan 4.420 nan 0.000 0.269 40 P C 1.002 178.163 177.300 -0.232 0.000 1.601 40 P CA -0.164 62.723 63.100 -0.355 0.000 0.831 40 P CB -0.592 30.772 31.700 -0.560 0.000 1.688 41 F N 0.438 120.274 119.950 -0.191 0.000 2.202 41 F HA -0.198 4.329 4.527 0.000 0.000 0.301 41 F C 1.541 177.367 175.800 0.044 0.000 1.082 41 F CA 1.126 59.058 58.000 -0.113 0.000 1.313 41 F CB -1.827 37.088 39.000 -0.141 0.000 1.024 41 F HN -0.053 nan 8.300 nan 0.000 0.495 42 Q N 0.523 119.837 119.800 -0.811 0.000 2.364 42 Q HA -0.101 4.239 4.340 0.000 0.000 0.207 42 Q C 0.973 176.847 176.000 -0.210 0.000 0.970 42 Q CA 1.370 56.839 55.803 -0.557 0.000 0.888 42 Q CB -0.582 27.742 28.738 -0.690 0.000 0.951 42 Q HN 0.596 nan 8.270 nan 0.000 0.469 43 Q N -0.507 119.204 119.800 -0.148 0.000 2.157 43 Q HA 0.329 4.669 4.340 0.000 0.000 0.229 43 Q C -0.637 175.371 176.000 0.014 0.000 0.827 43 Q CA -0.142 55.623 55.803 -0.063 0.000 1.055 43 Q CB 1.294 29.988 28.738 -0.074 0.000 1.157 43 Q HN 0.109 nan 8.270 nan 0.000 0.482 44 S N -1.511 114.228 115.700 0.065 0.000 2.811 44 S HA 0.638 5.108 4.470 0.000 0.000 0.311 44 S C -0.589 174.087 174.600 0.127 0.000 1.152 44 S CA -0.847 57.407 58.200 0.090 0.000 0.864 44 S CB 1.371 64.623 63.200 0.086 0.000 1.226 44 S HN -0.062 nan 8.310 nan 0.000 0.541 45 V N 1.399 121.372 119.914 0.098 0.000 2.539 45 V HA 0.478 4.598 4.120 0.000 0.000 0.292 45 V C -0.665 175.429 176.094 0.000 0.000 1.045 45 V CA -0.453 61.908 62.300 0.102 0.000 0.945 45 V CB 1.053 32.946 31.823 0.116 0.000 0.993 45 V HN 0.617 nan 8.190 nan 0.000 0.464 46 I N 3.742 124.263 120.570 -0.081 0.000 2.441 46 I HA 0.532 4.702 4.170 0.000 0.000 0.295 46 I C 0.232 176.318 176.117 -0.050 0.000 0.994 46 I CA 0.100 61.238 61.300 -0.271 0.000 1.144 46 I CB 2.030 39.563 38.000 -0.778 0.000 1.314 46 I HN 0.628 nan 8.210 nan 0.000 0.445 47 T N 3.774 118.304 114.554 -0.041 0.000 2.742 47 T HA 0.916 5.266 4.350 0.000 0.000 0.282 47 T C -1.529 173.237 174.700 0.110 0.000 1.025 47 T CA -0.562 61.685 62.100 0.245 0.000 1.020 47 T CB 1.788 70.875 68.868 0.364 0.000 1.317 47 T HN 0.729 nan 8.240 nan 0.000 0.538 48 A N 0.440 123.393 122.820 0.222 0.000 2.572 48 A HA 0.633 4.954 4.320 0.000 0.000 0.295 48 A C 0.214 177.820 177.584 0.035 0.000 1.072 48 A CA -0.201 51.830 52.037 -0.009 0.000 0.691 48 A CB 1.329 20.226 19.000 -0.173 0.000 1.291 48 A HN 0.942 nan 8.150 nan 0.000 0.404 49 E N 1.071 121.262 120.200 -0.015 0.000 2.452 49 E HA 0.200 4.551 4.350 0.000 0.000 0.197 49 E C 0.457 177.078 176.600 0.035 0.000 1.022 49 E CA 0.170 56.578 56.400 0.014 0.000 0.890 49 E CB -0.054 29.644 29.700 -0.004 0.000 0.918 49 E HN 0.711 nan 8.360 nan 0.000 0.496 50 I N -1.294 119.299 120.570 0.040 0.000 2.603 50 I HA 0.434 4.604 4.170 0.000 0.000 0.300 50 I C -0.054 176.132 176.117 0.115 0.000 1.017 50 I CA -1.035 60.321 61.300 0.093 0.000 1.098 50 I CB 2.310 40.390 38.000 0.134 0.000 1.279 50 I HN -0.294 nan 8.210 nan 0.000 0.437 51 E N 3.405 123.638 120.200 0.054 0.000 2.112 51 E HA -0.005 4.345 4.350 0.000 0.000 0.190 51 E C 0.057 176.505 176.600 -0.254 0.000 0.979 51 E CA 1.206 57.590 56.400 -0.026 0.000 0.814 51 E CB -0.079 29.628 29.700 0.012 0.000 0.762 51 E HN 0.738 nan 8.360 nan 0.000 0.460 52 R N -1.010 119.369 120.500 -0.201 0.000 2.836 52 R HA 0.690 5.030 4.340 0.000 0.000 0.269 52 R C -1.300 174.896 176.300 -0.174 0.000 1.010 52 R CA -1.149 54.651 56.100 -0.500 0.000 0.930 52 R CB 1.053 31.126 30.300 -0.377 0.000 1.218 52 R HN 0.053 nan 8.270 nan 0.000 0.473 53 W N -1.043 120.233 121.300 -0.041 0.000 3.074 53 W HA 0.650 5.311 4.660 0.000 0.000 0.332 53 W C -2.875 173.633 176.519 -0.018 0.000 1.253 53 W CA -2.188 55.137 57.345 -0.033 0.000 1.180 53 W CB -0.515 28.922 29.460 -0.038 0.000 1.445 53 W HN 0.444 nan 8.180 nan 0.000 0.573 54 P HA 0.173 nan 4.420 nan 0.000 0.277 54 P C -1.002 176.415 177.300 0.194 0.000 1.240 54 P CA -0.432 62.754 63.100 0.144 0.000 0.798 54 P CB 1.051 32.812 31.700 0.101 0.000 0.979 55 E N 1.340 121.611 120.200 0.119 0.000 2.070 55 E HA 0.239 4.589 4.350 0.000 0.000 0.282 55 E C -0.290 176.355 176.600 0.074 0.000 1.104 55 E CA -0.340 56.128 56.400 0.114 0.000 0.876 55 E CB 0.191 29.936 29.700 0.075 0.000 1.055 55 E HN 0.540 nan 8.360 nan 0.000 0.401 56 T N 0.521 115.113 114.554 0.064 0.000 2.841 56 T HA 0.588 4.939 4.350 0.000 0.000 0.276 56 T C 0.962 175.657 174.700 -0.007 0.000 1.003 56 T CA -0.153 61.956 62.100 0.015 0.000 0.995 56 T CB 1.431 70.293 68.868 -0.009 0.000 1.260 56 T HN 0.287 nan 8.240 nan 0.000 0.581 57 A N -0.152 122.649 122.820 -0.032 0.000 2.067 57 A HA 0.197 4.517 4.320 0.000 0.000 0.217 57 A C 2.042 179.561 177.584 -0.108 0.000 1.156 57 A CA 1.077 53.087 52.037 -0.045 0.000 0.683 57 A CB -0.963 18.015 19.000 -0.035 0.000 0.808 57 A HN 0.785 nan 8.150 nan 0.000 0.455 58 L N 0.425 121.554 121.223 -0.157 0.000 1.973 58 L HA -0.111 4.229 4.340 0.000 0.000 0.208 58 L C 2.764 179.471 176.870 -0.271 0.000 1.073 58 L CA 3.125 57.786 54.840 -0.298 0.000 0.746 58 L CB -1.267 40.609 42.059 -0.305 0.000 0.891 58 L HN 0.488 nan 8.230 nan 0.000 0.433 59 T N -2.482 111.971 114.554 -0.168 0.000 2.803 59 T HA -0.254 4.097 4.350 0.000 0.000 0.269 59 T C 2.121 176.852 174.700 0.053 0.000 1.052 59 T CA 1.524 63.572 62.100 -0.085 0.000 1.136 59 T CB -0.561 68.330 68.868 0.039 0.000 0.864 59 T HN 0.392 nan 8.240 nan 0.000 0.467 60 R N 0.450 120.972 120.500 0.036 0.000 2.081 60 R HA -0.070 4.270 4.340 0.000 0.000 0.235 60 R C 2.657 178.995 176.300 0.063 0.000 1.131 60 R CA 1.697 57.837 56.100 0.068 0.000 0.960 60 R CB -0.281 30.044 30.300 0.042 0.000 0.856 60 R HN 0.443 nan 8.270 nan 0.000 0.436 61 E N 0.654 120.853 120.200 -0.002 0.000 2.072 61 E HA -0.146 4.205 4.350 0.000 0.000 0.191 61 E C 1.698 178.368 176.600 0.116 0.000 0.985 61 E CA 1.005 57.425 56.400 0.033 0.000 0.801 61 E CB -0.216 29.444 29.700 -0.067 0.000 0.750 61 E HN 0.068 nan 8.360 nan 0.000 0.452 62 L N 0.599 121.846 121.223 0.040 0.000 2.189 62 L HA -0.092 4.248 4.340 0.000 0.000 0.214 62 L C 2.261 179.336 176.870 0.342 0.000 1.097 62 L CA 1.738 56.670 54.840 0.154 0.000 0.764 62 L CB -1.417 40.631 42.059 -0.017 0.000 0.900 62 L HN 0.229 nan 8.230 nan 0.000 0.436 63 A N 0.215 123.193 122.820 0.264 0.000 1.978 63 A HA -0.211 4.109 4.320 0.000 0.000 0.220 63 A C 2.208 179.929 177.584 0.229 0.000 1.170 63 A CA 1.872 54.063 52.037 0.256 0.000 0.636 63 A CB -0.479 18.633 19.000 0.186 0.000 0.810 63 A HN 0.602 nan 8.150 nan 0.000 0.448 64 R N -1.621 119.010 120.500 0.220 0.000 2.546 64 R HA 0.135 4.476 4.340 0.000 0.000 0.320 64 R C 0.196 176.622 176.300 0.209 0.000 1.021 64 R CA -0.447 55.761 56.100 0.180 0.000 1.088 64 R CB -0.341 30.033 30.300 0.124 0.000 1.278 64 R HN 0.485 nan 8.270 nan 0.000 0.557 65 H N 3.089 122.278 119.070 0.198 0.000 2.886 65 H HA 0.122 4.678 4.556 0.000 0.000 0.329 65 H C -1.590 173.848 175.328 0.183 0.000 1.044 65 H CA -1.385 54.784 56.048 0.201 0.000 1.456 65 H CB 1.769 31.678 29.762 0.245 0.000 1.464 65 H HN 0.072 nan 8.280 nan 0.000 0.573 66 P HA 0.055 nan 4.420 nan 0.000 0.233 66 P C 0.097 177.532 177.300 0.225 0.000 1.167 66 P CA 0.629 63.776 63.100 0.078 0.000 0.770 66 P CB 0.505 32.171 31.700 -0.056 0.000 0.837 67 A N -0.693 122.458 122.820 0.552 0.000 2.705 67 A HA 0.295 4.616 4.320 0.000 0.000 0.294 67 A C -0.406 177.455 177.584 0.461 0.000 1.039 67 A CA -0.344 51.981 52.037 0.480 0.000 1.005 67 A CB -0.650 18.585 19.000 0.391 0.000 1.192 67 A HN 0.018 nan 8.150 nan 0.000 0.513 68 F N 2.120 122.235 119.950 0.275 0.000 2.351 68 F HA 0.408 4.936 4.527 0.000 0.000 0.362 68 F C -0.031 175.878 175.800 0.181 0.000 1.131 68 F CA -1.578 56.501 58.000 0.132 0.000 1.187 68 F CB 0.261 39.331 39.000 0.117 0.000 1.434 68 F HN -0.043 nan 8.300 nan 0.000 0.553 69 V N 7.433 127.656 119.914 0.516 0.000 2.540 69 V HA 0.005 4.125 4.120 0.000 0.000 0.297 69 V C 0.739 176.906 176.094 0.121 0.000 1.024 69 V CA 0.132 62.584 62.300 0.253 0.000 1.105 69 V CB -0.010 31.896 31.823 0.140 0.000 0.938 69 V HN 0.808 nan 8.190 nan 0.000 0.482 70 N N 2.532 121.170 118.700 -0.104 0.000 2.782 70 N HA -0.211 4.529 4.740 0.000 0.000 0.251 70 N C 1.548 176.767 175.510 -0.484 0.000 1.101 70 N CA 1.187 54.031 53.050 -0.344 0.000 0.764 70 N CB -0.749 37.422 38.487 -0.527 0.000 1.122 70 N HN 0.790 nan 8.380 nan 0.000 0.561 71 R N 1.207 121.540 120.500 -0.278 0.000 2.094 71 R HA -0.135 4.206 4.340 0.000 0.000 0.239 71 R C 0.552 176.813 176.300 -0.065 0.000 1.137 71 R CA 1.989 57.900 56.100 -0.315 0.000 0.943 71 R CB -0.076 29.925 30.300 -0.499 0.000 0.850 71 R HN 0.192 nan 8.270 nan 0.000 0.433 72 D N -0.032 120.314 120.400 -0.091 0.000 2.378 72 D HA -0.045 4.595 4.640 0.000 0.000 0.227 72 D C 1.574 177.830 176.300 -0.073 0.000 1.012 72 D CA 0.342 54.313 54.000 -0.048 0.000 0.905 72 D CB 0.395 41.178 40.800 -0.028 0.000 0.895 72 D HN 0.149 nan 8.370 nan 0.000 0.532 73 V N -0.000 119.817 119.914 -0.161 0.000 2.575 73 V HA -0.104 4.016 4.120 0.000 0.000 0.242 73 V C 1.904 177.918 176.094 -0.135 0.000 1.045 73 V CA 0.499 62.688 62.300 -0.184 0.000 1.065 73 V CB -0.448 31.231 31.823 -0.241 0.000 0.717 73 V HN -0.011 nan 8.190 nan 0.000 0.467 74 F N 0.978 120.913 119.950 -0.026 0.000 2.085 74 F HA -0.148 4.379 4.527 0.000 0.000 0.299 74 F C 0.131 175.851 175.800 -0.134 0.000 1.096 74 F CA 2.050 60.016 58.000 -0.056 0.000 1.227 74 F CB -2.459 36.520 39.000 -0.036 0.000 0.983 74 F HN 0.290 nan 8.300 nan 0.000 0.482 75 P HA -0.192 nan 4.420 nan 0.000 0.216 75 P C 1.943 179.198 177.300 -0.074 0.000 1.153 75 P CA 1.800 64.862 63.100 -0.064 0.000 0.858 75 P CB -0.214 31.445 31.700 -0.070 0.000 0.789 76 I N -0.764 119.762 120.570 -0.074 0.000 2.099 76 I HA -0.221 3.949 4.170 0.000 0.000 0.239 76 I C 2.438 178.474 176.117 -0.136 0.000 1.066 76 I CA 1.476 62.712 61.300 -0.107 0.000 1.324 76 I CB -0.905 37.028 38.000 -0.112 0.000 1.037 76 I HN -0.150 nan 8.210 nan 0.000 0.401 77 I N 1.345 121.844 120.570 -0.118 0.000 2.361 77 I HA -0.230 3.940 4.170 0.000 0.000 0.251 77 I C 2.921 178.972 176.117 -0.109 0.000 1.133 77 I CA 1.479 62.699 61.300 -0.133 0.000 1.413 77 I CB -1.389 36.555 38.000 -0.093 0.000 1.073 77 I HN 0.216 nan 8.210 nan 0.000 0.424 78 A N -0.095 122.684 122.820 -0.070 0.000 1.948 78 A HA -0.206 4.114 4.320 0.000 0.000 0.220 78 A C 1.277 178.802 177.584 -0.099 0.000 1.177 78 A CA 1.331 53.322 52.037 -0.077 0.000 0.636 78 A CB -0.472 18.470 19.000 -0.098 0.000 0.815 78 A HN 0.382 nan 8.150 nan 0.000 0.449 79 D N -1.109 119.222 120.400 -0.115 0.000 2.317 79 D HA 0.261 4.901 4.640 0.000 0.000 0.234 79 D C 1.002 177.204 176.300 -0.163 0.000 1.112 79 D CA -0.364 53.566 54.000 -0.116 0.000 0.840 79 D CB 0.647 41.387 40.800 -0.101 0.000 1.078 79 D HN 0.194 nan 8.370 nan 0.000 0.486 80 R N 2.569 122.974 120.500 -0.158 0.000 2.127 80 R HA -0.172 4.168 4.340 0.000 0.000 0.238 80 R C 1.828 177.931 176.300 -0.328 0.000 1.134 80 R CA 0.724 56.689 56.100 -0.225 0.000 0.975 80 R CB -0.039 30.164 30.300 -0.162 0.000 0.865 80 R HN 0.441 nan 8.270 nan 0.000 0.447 81 L N 0.705 121.798 121.223 -0.217 0.000 1.955 81 L HA -0.228 4.113 4.340 0.000 0.000 0.213 81 L C 2.494 179.205 176.870 -0.265 0.000 1.072 81 L CA 2.486 57.213 54.840 -0.188 0.000 0.755 81 L CB -0.871 41.186 42.059 -0.003 0.000 0.888 81 L HN 0.276 nan 8.230 nan 0.000 0.432 82 T N -2.941 111.498 114.554 -0.192 0.000 2.759 82 T HA -0.319 4.032 4.350 0.000 0.000 0.269 82 T C 1.787 176.287 174.700 -0.333 0.000 1.042 82 T CA 1.711 63.695 62.100 -0.194 0.000 1.140 82 T CB -0.631 68.150 68.868 -0.146 0.000 0.864 82 T HN 0.570 nan 8.240 nan 0.000 0.455 83 Q N 0.780 120.316 119.800 -0.439 0.000 2.020 83 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 83 Q C 2.345 177.669 176.000 -1.127 0.000 0.982 83 Q CA 1.129 56.522 55.803 -0.683 0.000 0.838 83 Q CB -0.033 28.380 28.738 -0.541 0.000 0.899 83 Q HN 0.311 nan 8.270 nan 0.000 0.423 84 K N 0.405 120.218 120.400 -0.978 0.000 2.097 84 K HA -0.147 4.174 4.320 0.000 0.000 0.206 84 K C 2.092 178.276 176.600 -0.693 0.000 1.049 84 K CA 1.297 56.935 56.287 -1.081 0.000 0.933 84 K CB -0.203 31.196 32.500 -1.836 0.000 0.717 84 K HN 0.428 nan 8.250 nan 0.000 0.442 85 Q N 0.497 120.014 119.800 -0.473 0.000 2.096 85 Q HA -0.168 4.173 4.340 0.000 0.000 0.204 85 Q C 2.222 178.152 176.000 -0.117 0.000 0.982 85 Q CA 1.204 56.980 55.803 -0.046 0.000 0.850 85 Q CB -0.264 28.478 28.738 0.007 0.000 0.901 85 Q HN 0.179 nan 8.270 nan 0.000 0.422 86 L N 0.042 121.090 121.223 -0.292 0.000 2.046 86 L HA -0.178 4.162 4.340 0.000 0.000 0.208 86 L C 1.948 178.770 176.870 -0.079 0.000 1.077 86 L CA 1.546 56.251 54.840 -0.224 0.000 0.747 86 L CB -0.371 41.494 42.059 -0.323 0.000 0.896 86 L HN 0.038 nan 8.230 nan 0.000 0.432 87 F N 0.450 120.332 119.950 -0.114 0.000 2.126 87 F HA -0.212 4.315 4.527 0.000 0.000 0.299 87 F C 2.430 178.182 175.800 -0.079 0.000 1.096 87 F CA 1.248 59.188 58.000 -0.100 0.000 1.255 87 F CB -1.344 37.580 39.000 -0.126 0.000 0.997 87 F HN 0.223 nan 8.300 nan 0.000 0.479 88 D N 0.166 120.656 120.400 0.151 0.000 2.123 88 D HA -0.197 4.443 4.640 0.000 0.000 0.196 88 D C 2.250 178.460 176.300 -0.151 0.000 0.992 88 D CA 1.248 55.272 54.000 0.040 0.000 0.833 88 D CB -0.416 40.473 40.800 0.147 0.000 0.954 88 D HN 0.286 nan 8.370 nan 0.000 0.455 89 K N 0.696 121.053 120.400 -0.071 0.000 2.097 89 K HA -0.078 4.243 4.320 0.000 0.000 0.206 89 K C 1.820 178.388 176.600 -0.054 0.000 1.049 89 K CA 0.692 56.930 56.287 -0.083 0.000 0.933 89 K CB -0.032 32.453 32.500 -0.025 0.000 0.717 89 K HN 0.133 nan 8.250 nan 0.000 0.442 90 L N 0.446 121.671 121.223 0.004 0.000 2.611 90 L HA 0.077 4.417 4.340 0.000 0.000 0.229 90 L C -0.176 176.775 176.870 0.135 0.000 1.137 90 L CA -0.110 54.779 54.840 0.081 0.000 0.901 90 L CB -0.348 41.763 42.059 0.087 0.000 1.098 90 L HN 0.334 nan 8.230 nan 0.000 0.456 91 H N -0.226 118.884 119.070 0.066 0.000 2.770 91 H HA -0.124 4.432 4.556 0.000 0.000 0.309 91 H C -0.136 175.212 175.328 0.034 0.000 1.206 91 H CA 0.407 56.486 56.048 0.052 0.000 1.147 91 H CB -1.623 28.160 29.762 0.034 0.000 1.422 91 H HN 0.289 nan 8.280 nan 0.000 0.420 92 L N 1.969 123.234 121.223 0.071 0.000 2.282 92 L HA 0.338 4.678 4.340 0.000 0.000 0.288 92 L C -1.642 175.206 176.870 -0.037 0.000 1.033 92 L CA -1.831 53.006 54.840 -0.005 0.000 0.807 92 L CB 1.060 43.072 42.059 -0.078 0.000 1.209 92 L HN -0.098 nan 8.230 nan 0.000 0.423 93 P HA 0.099 nan 4.420 nan 0.000 0.265 93 P C -0.376 176.867 177.300 -0.095 0.000 1.193 93 P CA 0.089 63.167 63.100 -0.036 0.000 0.765 93 P CB 1.143 32.828 31.700 -0.025 0.000 0.823 94 T N 0.546 115.097 114.554 -0.006 0.000 2.718 94 T HA 0.605 4.955 4.350 0.000 0.000 0.306 94 T C -1.517 173.253 174.700 0.118 0.000 1.485 94 T CA -0.527 61.578 62.100 0.009 0.000 0.997 94 T CB 0.716 69.569 68.868 -0.025 0.000 1.504 94 T HN 0.329 nan 8.240 nan 0.000 0.497 95 A N 2.783 125.695 122.820 0.155 0.000 2.401 95 A HA 0.668 4.988 4.320 0.000 0.000 0.259 95 A C -2.524 175.215 177.584 0.260 0.000 1.103 95 A CA -1.298 50.851 52.037 0.187 0.000 0.789 95 A CB -0.344 18.771 19.000 0.192 0.000 1.035 95 A HN 0.595 nan 8.150 nan 0.000 0.491 96 P HA 0.055 nan 4.420 nan 0.000 0.261 96 P C -0.315 177.153 177.300 0.280 0.000 1.183 96 P CA 0.438 63.666 63.100 0.213 0.000 0.761 96 P CB 0.133 31.889 31.700 0.093 0.000 0.785 97 W N 3.692 124.998 121.300 0.011 0.000 3.165 97 W HA 0.700 5.360 4.660 -0.000 0.000 0.351 97 W C -1.408 175.097 176.519 -0.025 0.000 1.164 97 W CA -0.936 56.407 57.345 -0.002 0.000 1.074 97 W CB 0.853 30.321 29.460 0.014 0.000 1.499 97 W HN 0.528 nan 8.180 nan 0.000 0.600 98 Q N 0.847 120.656 119.800 0.015 0.000 2.903 98 Q HA 0.427 4.767 4.340 0.000 0.000 0.277 98 Q C -2.228 173.796 176.000 0.039 0.000 0.933 98 Q CA -0.900 54.706 55.803 -0.328 0.000 0.822 98 Q CB 1.646 30.175 28.738 -0.348 0.000 1.693 98 Q HN 0.764 nan 8.270 nan 0.000 0.447 99 L N 0.685 121.898 121.223 -0.016 0.000 2.375 99 L HA 0.559 4.899 4.340 0.000 0.000 0.271 99 L C -0.988 175.822 176.870 -0.100 0.000 1.107 99 L CA -0.647 54.213 54.840 0.033 0.000 0.806 99 L CB 1.035 43.135 42.059 0.069 0.000 1.146 99 L HN 0.700 nan 8.230 nan 0.000 0.447 100 L N 4.931 126.058 121.223 -0.159 0.000 2.404 100 L HA 0.439 4.779 4.340 0.000 0.000 0.277 100 L C 0.933 177.685 176.870 -0.198 0.000 1.184 100 L CA 0.861 55.512 54.840 -0.315 0.000 1.013 100 L CB -0.244 41.506 42.059 -0.515 0.000 1.318 100 L HN 0.993 nan 8.230 nan 0.000 0.435 101 A N 3.498 126.268 122.820 -0.083 0.000 1.832 101 A HA 0.082 4.402 4.320 0.000 0.000 0.214 101 A C 0.617 178.323 177.584 0.203 0.000 1.242 101 A CA 0.376 52.433 52.037 0.035 0.000 0.603 101 A CB -0.181 18.814 19.000 -0.009 0.000 0.902 101 A HN 0.566 nan 8.150 nan 0.000 0.455 102 E N -1.081 119.177 120.200 0.096 0.000 2.166 102 E HA 0.432 4.782 4.350 0.000 0.000 0.275 102 E C 0.772 177.408 176.600 0.060 0.000 0.941 102 E CA -0.432 56.000 56.400 0.054 0.000 0.784 102 E CB 1.288 30.974 29.700 -0.023 0.000 1.115 102 E HN 0.377 nan 8.360 nan 0.000 0.399 103 R N 1.255 121.790 120.500 0.059 0.000 2.139 103 R HA -0.181 4.159 4.340 0.000 0.000 0.243 103 R C 1.603 177.944 176.300 0.069 0.000 1.145 103 R CA 1.560 57.752 56.100 0.154 0.000 0.976 103 R CB -0.511 29.889 30.300 0.167 0.000 0.866 103 R HN 0.354 nan 8.270 nan 0.000 0.449 104 S N 1.583 117.301 115.700 0.029 0.000 2.444 104 S HA -0.222 4.249 4.470 0.000 0.000 0.244 104 S C 1.443 176.068 174.600 0.042 0.000 1.025 104 S CA 1.698 59.921 58.200 0.038 0.000 0.995 104 S CB -0.298 62.902 63.200 -0.001 0.000 0.781 104 S HN 0.493 nan 8.310 nan 0.000 0.496 105 E N -0.073 120.109 120.200 -0.030 0.000 2.482 105 E HA -0.013 4.338 4.350 0.000 0.000 0.196 105 E C 1.228 177.846 176.600 0.030 0.000 1.047 105 E CA 0.160 56.522 56.400 -0.063 0.000 0.869 105 E CB -0.127 29.457 29.700 -0.193 0.000 0.836 105 E HN 0.702 nan 8.360 nan 0.000 0.520 106 W N 1.464 122.851 121.300 0.145 0.000 2.317 106 W HA -0.170 4.491 4.660 0.002 0.000 0.318 106 W C -0.537 176.180 176.519 0.330 0.000 1.227 106 W CA 0.706 58.197 57.345 0.243 0.000 1.269 106 W CB -1.384 28.233 29.460 0.261 0.000 1.155 106 W HN 0.185 nan 8.180 nan 0.000 0.484 107 P HA -0.159 nan 4.420 nan 0.000 0.219 107 P C 1.155 178.646 177.300 0.319 0.000 1.146 107 P CA 2.536 65.822 63.100 0.310 0.000 0.808 107 P CB -0.410 31.385 31.700 0.158 0.000 0.779 108 A N -0.186 122.781 122.820 0.246 0.000 1.854 108 A HA -0.088 4.232 4.320 0.000 0.000 0.214 108 A C 2.397 180.059 177.584 0.130 0.000 1.192 108 A CA 1.377 53.501 52.037 0.144 0.000 0.611 108 A CB -1.595 17.443 19.000 0.064 0.000 0.832 108 A HN 0.007 nan 8.150 nan 0.000 0.442 109 V N -0.782 119.204 119.914 0.120 0.000 2.363 109 V HA -0.320 3.801 4.120 0.000 0.000 0.254 109 V C 2.122 178.084 176.094 -0.220 0.000 1.074 109 V CA 2.301 64.555 62.300 -0.076 0.000 1.069 109 V CB -0.970 30.813 31.823 -0.068 0.000 0.659 109 V HN 0.605 nan 8.190 nan 0.000 0.455 110 F N -0.890 119.144 119.950 0.140 0.000 2.811 110 F HA 0.056 4.583 4.527 -0.000 0.000 0.301 110 F C 1.984 177.819 175.800 0.059 0.000 1.151 110 F CA 0.592 58.647 58.000 0.092 0.000 1.412 110 F CB -0.155 38.893 39.000 0.080 0.000 1.113 110 F HN 0.207 nan 8.300 nan 0.000 0.579 111 D N -0.628 119.869 120.400 0.162 0.000 2.566 111 D HA 0.036 4.676 4.640 0.000 0.000 0.253 111 D C 2.363 178.693 176.300 0.049 0.000 0.992 111 D CA 0.314 54.374 54.000 0.101 0.000 0.940 111 D CB 0.280 41.132 40.800 0.085 0.000 1.095 111 D HN 0.098 nan 8.370 nan 0.000 0.480 112 R N 0.614 121.125 120.500 0.018 0.000 2.055 112 R HA 0.032 4.372 4.340 0.000 0.000 0.228 112 R C 2.303 178.597 176.300 -0.010 0.000 1.143 112 R CA 0.590 56.685 56.100 -0.009 0.000 0.945 112 R CB -0.310 29.967 30.300 -0.038 0.000 0.841 112 R HN 0.140 nan 8.270 nan 0.000 0.429 113 L N -1.942 119.257 121.223 -0.040 0.000 1.958 113 L HA 0.189 4.530 4.340 0.000 0.000 0.215 113 L C 1.787 178.645 176.870 -0.020 0.000 1.146 113 L CA 0.910 55.719 54.840 -0.052 0.000 1.182 113 L CB -0.659 41.335 42.059 -0.108 0.000 1.060 113 L HN 0.441 nan 8.230 nan 0.000 0.623 114 G N -1.634 107.140 108.800 -0.043 0.000 1.812 114 G HA2 -0.139 3.822 3.960 0.000 0.000 0.053 114 G HA3 -0.139 3.822 3.960 0.000 0.000 0.053 114 G C 0.591 175.628 174.900 0.228 0.000 0.844 114 G CA -0.041 45.123 45.100 0.107 0.000 1.151 114 G HN 0.183 nan 8.290 nan 0.000 0.362 115 E N -0.015 120.275 120.200 0.151 0.000 2.216 115 E HA 0.225 4.575 4.350 0.000 0.000 0.192 115 E C 0.398 177.122 176.600 0.208 0.000 0.988 115 E CA 0.515 57.030 56.400 0.192 0.000 0.834 115 E CB 0.330 30.087 29.700 0.094 0.000 0.772 115 E HN 0.295 nan 8.360 nan 0.000 0.479 116 L N -0.071 121.216 121.223 0.108 0.000 2.401 116 L HA 0.518 4.859 4.340 0.000 0.000 0.266 116 L C -1.412 175.462 176.870 0.007 0.000 0.991 116 L CA -0.575 54.312 54.840 0.077 0.000 0.818 116 L CB 1.991 44.076 42.059 0.043 0.000 1.321 116 L HN -0.190 nan 8.230 nan 0.000 0.413 117 A N 4.834 127.665 122.820 0.019 0.000 2.356 117 A HA 0.766 5.086 4.320 0.000 0.000 0.310 117 A C -1.183 176.466 177.584 0.108 0.000 1.075 117 A CA -0.423 51.628 52.037 0.024 0.000 0.746 117 A CB 1.083 20.093 19.000 0.016 0.000 1.221 117 A HN 0.547 nan 8.150 nan 0.000 0.443 118 I N 2.379 123.020 120.570 0.117 0.000 2.336 118 I HA 0.346 4.516 4.170 0.000 0.000 0.292 118 I C -0.213 176.020 176.117 0.192 0.000 0.991 118 I CA -0.315 61.073 61.300 0.147 0.000 1.227 118 I CB 1.841 39.911 38.000 0.117 0.000 1.366 118 I HN 0.344 nan 8.210 nan 0.000 0.466 119 V N 6.847 126.920 119.914 0.265 0.000 2.439 119 V HA 0.492 4.612 4.120 0.000 0.000 0.282 119 V C 0.061 176.356 176.094 0.336 0.000 1.039 119 V CA -0.592 61.925 62.300 0.362 0.000 0.913 119 V CB 1.226 33.367 31.823 0.531 0.000 0.983 119 V HN 0.634 nan 8.190 nan 0.000 0.460 120 K N 3.070 123.631 120.400 0.268 0.000 2.542 120 K HA 0.477 4.797 4.320 0.000 0.000 0.259 120 K C -0.755 175.940 176.600 0.157 0.000 0.932 120 K CA -0.889 55.491 56.287 0.155 0.000 0.820 120 K CB 2.649 35.185 32.500 0.060 0.000 1.345 120 K HN 0.574 nan 8.250 nan 0.000 0.432 121 R N 1.854 122.423 120.500 0.114 0.000 2.543 121 R HA 0.155 4.496 4.340 0.000 0.000 0.277 121 R C 0.974 177.289 176.300 0.026 0.000 1.074 121 R CA 0.255 56.414 56.100 0.099 0.000 1.076 121 R CB 0.608 30.956 30.300 0.079 0.000 0.993 121 R HN 0.571 nan 8.270 nan 0.000 0.459 122 R N 0.079 120.591 120.500 0.020 0.000 2.075 122 R HA -0.063 4.277 4.340 0.000 0.000 0.232 122 R C 0.440 176.716 176.300 -0.040 0.000 1.126 122 R CA 1.693 57.782 56.100 -0.017 0.000 0.963 122 R CB 0.070 30.363 30.300 -0.011 0.000 0.858 122 R HN 0.622 nan 8.270 nan 0.000 0.435 123 T N -1.341 113.196 114.554 -0.028 0.000 2.934 123 T HA 0.567 4.917 4.350 0.000 0.000 0.328 123 T C 0.332 175.012 174.700 -0.033 0.000 1.068 123 T CA -0.274 61.800 62.100 -0.042 0.000 1.018 123 T CB 1.575 70.413 68.868 -0.050 0.000 1.009 123 T HN 0.462 nan 8.240 nan 0.000 0.471 131 Q N -0.345 118.986 119.800 -0.780 0.000 2.359 131 Q HA 0.645 4.986 4.340 0.000 0.000 0.274 131 Q C -1.496 174.229 176.000 -0.459 0.000 1.074 131 Q CA -1.081 54.387 55.803 -0.559 0.000 0.810 131 Q CB 2.299 30.926 28.738 -0.184 0.000 1.342 131 Q HN 0.549 nan 8.270 nan 0.000 0.427 132 W N 1.464 122.789 121.300 0.043 0.000 2.671 132 W HA 0.620 5.280 4.660 -0.001 0.000 0.360 132 W C -0.366 176.183 176.519 0.049 0.000 1.128 132 W CA -1.111 56.261 57.345 0.045 0.000 1.184 132 W CB 1.866 31.357 29.460 0.052 0.000 1.415 132 W HN 0.642 nan 8.180 nan 0.000 0.604 133 R N 1.753 122.412 120.500 0.265 0.000 2.576 133 R HA 0.379 4.719 4.340 0.000 0.000 0.283 133 R C -0.706 175.665 176.300 0.119 0.000 1.493 133 R CA -0.628 55.565 56.100 0.156 0.000 1.170 133 R CB 0.903 31.262 30.300 0.098 0.000 1.189 133 R HN 0.045 nan 8.270 nan 0.000 0.542 134 L N 1.029 122.315 121.223 0.106 0.000 2.421 134 L HA 0.646 4.986 4.340 0.000 0.000 0.267 134 L C 0.417 177.322 176.870 0.058 0.000 1.036 134 L CA -1.058 53.805 54.840 0.039 0.000 0.829 134 L CB 0.841 42.877 42.059 -0.039 0.000 1.437 134 L HN 0.440 nan 8.230 nan 0.000 0.488 135 R N -1.457 119.053 120.500 0.017 0.000 2.739 135 R HA 0.546 4.886 4.340 0.000 0.000 0.271 135 R C 0.648 176.841 176.300 -0.180 0.000 1.010 135 R CA -0.205 55.946 56.100 0.085 0.000 0.897 135 R CB 1.695 32.004 30.300 0.015 0.000 1.236 135 R HN 0.670 nan 8.270 nan 0.000 0.466 136 A N 1.544 123.979 122.820 -0.642 0.000 1.997 136 A HA -0.376 3.944 4.320 0.000 0.000 0.226 136 A C 1.519 178.777 177.584 -0.543 0.000 1.327 136 A CA 2.757 54.155 52.037 -1.065 0.000 0.693 136 A CB -0.870 17.517 19.000 -1.020 0.000 0.832 136 A HN 0.880 nan 8.150 nan 0.000 0.497 137 N N -0.090 118.396 118.700 -0.356 0.000 2.197 137 N HA -0.088 4.652 4.740 0.000 0.000 0.184 137 N C 0.949 176.334 175.510 -0.209 0.000 1.030 137 N CA 1.345 54.253 53.050 -0.236 0.000 0.851 137 N CB -0.937 37.452 38.487 -0.164 0.000 1.003 137 N HN 0.663 nan 8.380 nan 0.000 0.430 138 E N 0.493 120.580 120.200 -0.189 0.000 2.357 138 E HA 0.070 4.420 4.350 0.000 0.000 0.194 138 E C 0.602 177.076 176.600 -0.209 0.000 1.177 138 E CA -0.014 56.297 56.400 -0.149 0.000 0.998 138 E CB -0.221 29.425 29.700 -0.090 0.000 1.106 138 E HN 0.325 nan 8.360 nan 0.000 0.470 139 T N 1.651 116.006 114.554 -0.332 0.000 2.520 139 T HA -0.218 4.132 4.350 0.000 0.000 0.258 139 T C 1.399 176.016 174.700 -0.139 0.000 1.125 139 T CA 1.316 63.146 62.100 -0.451 0.000 1.206 139 T CB -0.185 68.262 68.868 -0.701 0.000 0.864 139 T HN 0.345 nan 8.240 nan 0.000 0.400 140 E N 0.917 121.082 120.200 -0.059 0.000 2.444 140 E HA -0.226 4.124 4.350 0.000 0.000 0.205 140 E C 2.053 178.637 176.600 -0.027 0.000 1.054 140 E CA 0.503 56.905 56.400 0.003 0.000 0.873 140 E CB -0.178 29.524 29.700 0.004 0.000 0.793 140 E HN 0.518 nan 8.360 nan 0.000 0.549 141 Q N 0.279 120.043 119.800 -0.061 0.000 2.364 141 Q HA -0.039 4.301 4.340 0.000 0.000 0.207 141 Q C 0.329 176.265 176.000 -0.107 0.000 0.970 141 Q CA 0.312 56.078 55.803 -0.061 0.000 0.888 141 Q CB 0.226 28.931 28.738 -0.055 0.000 0.951 141 Q HN 0.180 nan 8.270 nan 0.000 0.469 142 L N 0.761 121.888 121.223 -0.159 0.000 2.331 142 L HA 0.498 4.838 4.340 0.000 0.000 0.275 142 L C -2.411 174.316 176.870 -0.238 0.000 1.022 142 L CA -2.314 52.304 54.840 -0.369 0.000 0.812 142 L CB 1.154 42.950 42.059 -0.437 0.000 1.257 142 L HN -0.148 nan 8.230 nan 0.000 0.435 143 P HA 0.110 nan 4.420 nan 0.000 0.268 143 P C -0.696 176.607 177.300 0.005 0.000 1.208 143 P CA -0.127 62.902 63.100 -0.119 0.000 0.777 143 P CB 0.717 32.359 31.700 -0.096 0.000 0.875 144 A N 1.771 124.684 122.820 0.155 0.000 2.415 144 A HA 0.066 4.386 4.320 0.000 0.000 0.248 144 A C 1.329 179.164 177.584 0.418 0.000 1.299 144 A CA 0.000 52.299 52.037 0.436 0.000 0.899 144 A CB -0.643 18.450 19.000 0.156 0.000 0.997 144 A HN 0.588 nan 8.150 nan 0.000 0.506 145 E N -1.269 119.059 120.200 0.212 0.000 2.140 145 E HA -0.056 4.294 4.350 0.000 0.000 0.191 145 E C 0.890 177.580 176.600 0.149 0.000 0.973 145 E CA 0.440 56.936 56.400 0.159 0.000 0.829 145 E CB -0.263 29.493 29.700 0.093 0.000 0.781 145 E HN 0.455 nan 8.360 nan 0.000 0.466 146 c N 2.019 120.641 118.600 0.036 0.000 2.474 146 c HA -0.086 4.485 4.570 0.000 0.000 0.348 146 c C -0.320 173.585 174.090 -0.309 0.000 1.495 146 c CA 0.302 56.561 56.329 -0.116 0.000 1.451 146 c CB -2.472 39.884 42.510 -0.256 0.000 1.500 146 c HN 0.211 nan 8.230 nan 0.000 0.615 147 Y N -0.261 120.026 120.300 -0.021 0.000 2.417 147 Y HA 0.461 5.011 4.550 0.000 0.000 0.336 147 Y C 1.120 177.003 175.900 -0.029 0.000 0.961 147 Y CA 0.413 58.488 58.100 -0.041 0.000 1.215 147 Y CB 0.818 39.250 38.460 -0.046 0.000 1.120 147 Y HN 0.309 nan 8.280 nan 0.000 0.499 148 G N 2.337 111.159 108.800 0.037 0.000 2.160 148 G HA2 -0.292 3.669 3.960 0.000 0.000 0.251 148 G HA3 -0.292 3.669 3.960 0.000 0.000 0.251 148 G C 0.538 175.454 174.900 0.027 0.000 1.008 148 G CA 0.546 45.666 45.100 0.032 0.000 0.724 148 G HN 0.663 nan 8.290 nan 0.000 0.514 149 E N -1.624 118.584 120.200 0.013 0.000 2.712 149 E HA 0.283 4.634 4.350 0.000 0.000 0.221 149 E C 0.088 176.698 176.600 0.015 0.000 0.943 149 E CA 0.353 56.766 56.400 0.021 0.000 1.259 149 E CB 0.778 30.503 29.700 0.042 0.000 1.167 149 E HN 0.447 nan 8.360 nan 0.000 0.569 150 c N 0.093 118.681 118.600 -0.019 0.000 3.332 150 c HA 0.665 5.235 4.570 0.000 0.000 0.329 150 c C -1.036 173.050 174.090 -0.006 0.000 1.434 150 c CA -0.968 55.362 56.329 0.002 0.000 1.314 150 c CB 1.475 43.995 42.510 0.015 0.000 1.664 150 c HN 0.395 nan 8.230 nan 0.000 0.457 151 I N -0.330 120.266 120.570 0.043 0.000 3.074 151 I HA 0.950 5.120 4.170 0.000 0.000 0.310 151 I C -0.907 175.268 176.117 0.096 0.000 1.153 151 I CA -0.662 60.690 61.300 0.086 0.000 0.993 151 I CB 1.992 40.093 38.000 0.169 0.000 1.237 151 I HN 0.521 nan 8.210 nan 0.000 0.443 152 V N 0.319 120.301 119.914 0.113 0.000 2.604 152 V HA 0.746 4.866 4.120 0.000 0.000 0.305 152 V C -0.629 175.568 176.094 0.172 0.000 1.043 152 V CA -0.368 61.995 62.300 0.106 0.000 0.888 152 V CB 1.346 33.174 31.823 0.008 0.000 0.995 152 V HN 0.942 nan 8.190 nan 0.000 0.429 153 E N 1.618 121.909 120.200 0.153 0.000 2.340 153 E HA 0.346 4.696 4.350 0.000 0.000 0.273 153 E C -1.113 175.552 176.600 0.110 0.000 0.891 153 E CA -0.805 55.701 56.400 0.176 0.000 0.757 153 E CB 2.479 32.289 29.700 0.183 0.000 1.231 153 E HN 0.904 nan 8.360 nan 0.000 0.439 154 Q N 1.426 121.286 119.800 0.100 0.000 2.300 154 Q HA 0.122 4.462 4.340 0.000 0.000 0.280 154 Q C -0.155 175.873 176.000 0.048 0.000 1.033 154 Q CA -0.070 55.764 55.803 0.053 0.000 0.903 154 Q CB 0.522 29.290 28.738 0.049 0.000 1.195 154 Q HN 0.680 nan 8.270 nan 0.000 0.386 155 G N 5.453 114.264 108.800 0.019 0.000 2.335 155 G HA2 0.241 4.201 3.960 0.000 0.000 0.268 155 G HA3 0.241 4.201 3.960 0.000 0.000 0.268 155 G C -0.202 174.674 174.900 -0.039 0.000 1.228 155 G CA -0.556 44.541 45.100 -0.004 0.000 0.968 155 G HN 0.614 nan 8.290 nan 0.000 0.459 156 I N 2.469 122.992 120.570 -0.079 0.000 2.342 156 I HA 0.092 4.262 4.170 0.000 0.000 0.291 156 I C 0.319 176.308 176.117 -0.213 0.000 1.010 156 I CA -1.072 60.155 61.300 -0.122 0.000 1.308 156 I CB 1.177 39.087 38.000 -0.151 0.000 1.400 156 I HN 0.538 nan 8.210 nan 0.000 0.488 157 N N 7.685 126.286 118.700 -0.165 0.000 2.767 157 N HA 0.249 4.989 4.740 0.000 0.000 0.238 157 N C -0.872 174.524 175.510 -0.191 0.000 1.083 157 N CA -0.440 52.462 53.050 -0.245 0.000 0.964 157 N CB -0.002 38.396 38.487 -0.147 0.000 1.252 157 N HN 0.311 nan 8.380 nan 0.000 0.512 158 F N 0.693 120.531 119.950 -0.187 0.000 2.425 158 F HA 0.494 5.022 4.527 0.002 0.000 0.331 158 F C 1.262 177.053 175.800 -0.015 0.000 1.085 158 F CA -1.188 56.756 58.000 -0.094 0.000 1.028 158 F CB 0.771 39.704 39.000 -0.112 0.000 1.177 158 F HN 0.224 nan 8.300 nan 0.000 0.487 159 S N 0.080 115.923 115.700 0.238 0.000 2.501 159 S HA 0.556 5.026 4.470 0.000 0.000 0.220 159 S C 0.653 175.459 174.600 0.344 0.000 0.997 159 S CA 0.215 58.522 58.200 0.178 0.000 0.919 159 S CB -0.404 62.874 63.200 0.130 0.000 0.778 159 S HN 1.335 nan 8.310 nan 0.000 0.523 160 G N -0.012 109.121 108.800 0.554 0.000 2.556 160 G HA2 0.467 4.427 3.960 0.000 0.000 0.294 160 G HA3 0.467 4.427 3.960 0.000 0.000 0.294 160 G C -2.020 173.082 174.900 0.336 0.000 1.516 160 G CA -0.858 44.542 45.100 0.501 0.000 0.824 160 G HN 0.131 nan 8.290 nan 0.000 0.535 161 E N -0.701 119.639 120.200 0.234 0.000 2.204 161 E HA 0.655 5.005 4.350 0.000 0.000 0.276 161 E C -0.123 176.508 176.600 0.053 0.000 0.974 161 E CA -0.819 55.595 56.400 0.024 0.000 0.815 161 E CB 2.608 32.306 29.700 -0.003 0.000 1.119 161 E HN 0.742 nan 8.360 nan 0.000 0.393 162 V N -0.817 119.056 119.914 -0.067 0.000 3.147 162 V HA 0.792 4.912 4.120 0.000 0.000 0.306 162 V C -0.668 175.358 176.094 -0.113 0.000 1.209 162 V CA -0.903 61.339 62.300 -0.098 0.000 1.023 162 V CB 1.829 33.543 31.823 -0.181 0.000 1.059 162 V HN 0.727 nan 8.190 nan 0.000 0.435 163 S N 2.269 117.927 115.700 -0.069 0.000 2.570 163 S HA 0.887 5.357 4.470 0.000 0.000 0.286 163 S C -1.232 173.353 174.600 -0.025 0.000 1.099 163 S CA -0.760 57.395 58.200 -0.076 0.000 0.913 163 S CB 1.906 65.073 63.200 -0.055 0.000 1.085 163 S HN 1.843 nan 8.310 nan 0.000 0.480 164 L N 2.184 123.387 121.223 -0.032 0.000 2.349 164 L HA 0.755 5.095 4.340 0.000 0.000 0.278 164 L C -1.378 175.560 176.870 0.113 0.000 0.996 164 L CA -0.541 54.330 54.840 0.052 0.000 0.825 164 L CB 1.510 43.573 42.059 0.006 0.000 1.243 164 L HN 0.659 nan 8.230 nan 0.000 0.412 165 V N 4.978 125.024 119.914 0.220 0.000 2.427 165 V HA 0.972 5.092 4.120 0.000 0.000 0.286 165 V C 0.617 176.912 176.094 0.334 0.000 1.034 165 V CA 0.163 62.597 62.300 0.224 0.000 0.893 165 V CB 0.858 32.759 31.823 0.130 0.000 0.982 165 V HN 0.996 nan 8.190 nan 0.000 0.452 166 G N 2.387 111.294 108.800 0.179 0.000 2.721 166 G HA2 0.887 4.847 3.960 0.000 0.000 0.296 166 G HA3 0.887 4.847 3.960 0.000 0.000 0.296 166 G C -1.439 173.373 174.900 -0.147 0.000 1.383 166 G CA -0.130 44.925 45.100 -0.076 0.000 0.788 166 G HN 1.140 nan 8.290 nan 0.000 0.500 167 A N -0.436 122.159 122.820 -0.375 0.000 2.572 167 A HA 0.901 5.222 4.320 0.000 0.000 0.295 167 A C -0.860 176.556 177.584 -0.280 0.000 1.072 167 A CA -0.627 51.281 52.037 -0.215 0.000 0.691 167 A CB 2.082 20.982 19.000 -0.168 0.000 1.291 167 A HN 0.865 nan 8.150 nan 0.000 0.404 168 R N 0.934 121.332 120.500 -0.170 0.000 2.575 168 R HA 0.582 4.922 4.340 0.000 0.000 0.293 168 R C 0.095 176.273 176.300 -0.203 0.000 0.983 168 R CA -0.078 55.927 56.100 -0.159 0.000 0.887 168 R CB 1.884 32.141 30.300 -0.071 0.000 1.184 168 R HN 1.121 nan 8.270 nan 0.000 0.445 169 G N 1.465 110.173 108.800 -0.154 0.000 2.547 169 G HA2 0.192 4.153 3.960 0.000 0.000 0.291 169 G HA3 0.192 4.153 3.960 0.000 0.000 0.291 169 G C 0.019 174.850 174.900 -0.115 0.000 1.211 169 G CA -0.573 44.441 45.100 -0.144 0.000 0.950 169 G HN 0.574 nan 8.290 nan 0.000 0.504 170 F N -0.014 119.892 119.950 -0.074 0.000 2.546 170 F HA 0.019 4.546 4.527 0.001 0.000 0.298 170 F C 2.239 178.015 175.800 -0.040 0.000 1.120 170 F CA 1.328 59.292 58.000 -0.059 0.000 1.456 170 F CB 0.312 39.280 39.000 -0.053 0.000 1.088 170 F HN 0.472 nan 8.300 nan 0.000 0.572 171 D N -1.732 118.752 120.400 0.141 0.000 2.349 171 D HA 0.162 4.802 4.640 0.000 0.000 0.214 171 D C 1.851 178.175 176.300 0.040 0.000 1.063 171 D CA 0.827 54.874 54.000 0.077 0.000 0.847 171 D CB -0.128 40.705 40.800 0.054 0.000 0.933 171 D HN 0.234 nan 8.370 nan 0.000 0.513 172 G N -0.174 108.639 108.800 0.021 0.000 2.176 172 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 172 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 172 G C 0.328 175.225 174.900 -0.005 0.000 0.979 172 G CA 0.204 45.308 45.100 0.007 0.000 0.641 172 G HN 0.408 nan 8.290 nan 0.000 0.530 173 S N 1.027 116.717 115.700 -0.016 0.000 2.562 173 S HA 0.554 5.024 4.470 0.000 0.000 0.281 173 S C 0.623 175.177 174.600 -0.078 0.000 1.333 173 S CA 0.773 58.955 58.200 -0.031 0.000 1.052 173 S CB 1.197 64.377 63.200 -0.033 0.000 0.884 173 S HN 1.300 nan 8.310 nan 0.000 0.506 174 T N -0.434 114.068 114.554 -0.088 0.000 2.861 174 T HA 0.710 5.060 4.350 0.000 0.000 0.287 174 T C -0.522 173.974 174.700 -0.341 0.000 1.003 174 T CA -0.880 61.083 62.100 -0.228 0.000 0.977 174 T CB 1.124 69.926 68.868 -0.109 0.000 0.996 174 T HN 0.587 nan 8.240 nan 0.000 0.448 175 V N 0.497 120.037 119.914 -0.623 0.000 2.789 175 V HA 0.954 5.074 4.120 0.000 0.000 0.311 175 V C -1.556 173.955 176.094 -0.973 0.000 1.073 175 V CA -1.203 60.758 62.300 -0.566 0.000 0.921 175 V CB 1.309 32.926 31.823 -0.344 0.000 1.009 175 V HN 0.888 nan 8.190 nan 0.000 0.426 176 F N 1.896 121.736 119.950 -0.182 0.000 2.620 176 F HA 0.789 5.316 4.527 0.000 0.000 0.320 176 F C -0.486 175.185 175.800 -0.215 0.000 1.069 176 F CA -0.820 57.089 58.000 -0.153 0.000 0.953 176 F CB 1.857 40.836 39.000 -0.036 0.000 1.322 176 F HN 0.532 nan 8.300 nan 0.000 0.479 177 Y N 0.932 121.390 120.300 0.264 0.000 2.519 177 Y HA 0.500 5.050 4.550 0.000 0.000 0.324 177 Y C -2.073 173.990 175.900 0.271 0.000 1.214 177 Y CA -2.310 55.941 58.100 0.251 0.000 1.260 177 Y CB 0.462 39.062 38.460 0.233 0.000 1.311 177 Y HN 0.229 nan 8.280 nan 0.000 0.505 178 P HA 0.029 nan 4.420 nan 0.000 0.269 178 P C -0.537 176.920 177.300 0.262 0.000 1.217 178 P CA -0.009 63.263 63.100 0.285 0.000 0.783 178 P CB 0.513 32.348 31.700 0.226 0.000 0.898 179 L N 1.058 122.357 121.223 0.126 0.000 2.483 179 L HA 0.119 4.460 4.340 0.000 0.000 0.276 179 L C 0.702 177.583 176.870 0.018 0.000 1.213 179 L CA 0.767 55.632 54.840 0.040 0.000 0.843 179 L CB -0.161 41.851 42.059 -0.078 0.000 1.107 179 L HN 0.351 nan 8.230 nan 0.000 0.487 180 T N 1.229 115.789 114.554 0.009 0.000 2.824 180 T HA 0.327 4.677 4.350 0.000 0.000 0.282 180 T C -0.441 174.231 174.700 -0.047 0.000 0.993 180 T CA -0.625 61.497 62.100 0.036 0.000 0.967 180 T CB 0.802 69.810 68.868 0.234 0.000 0.960 180 T HN 0.339 nan 8.240 nan 0.000 0.441 181 H N 3.493 122.629 119.070 0.110 0.000 2.723 181 H HA 0.300 4.856 4.556 0.000 0.000 0.294 181 H C -0.160 175.363 175.328 0.324 0.000 1.079 181 H CA -0.215 55.955 56.048 0.203 0.000 1.411 181 H CB 0.683 30.544 29.762 0.165 0.000 1.439 181 H HN 0.576 nan 8.280 nan 0.000 0.474 182 N N 2.362 121.270 118.700 0.347 0.000 2.417 182 N HA 0.317 5.057 4.740 0.000 0.000 0.300 182 N C -1.021 174.478 175.510 -0.018 0.000 1.102 182 N CA -0.814 52.338 53.050 0.170 0.000 0.886 182 N CB 1.967 40.494 38.487 0.067 0.000 1.203 182 N HN 0.295 nan 8.380 nan 0.000 0.496 183 L N 1.839 122.786 121.223 -0.459 0.000 2.343 183 L HA 0.468 4.808 4.340 0.000 0.000 0.278 183 L C -1.437 175.093 176.870 -0.567 0.000 0.996 183 L CA -0.536 53.826 54.840 -0.796 0.000 0.831 183 L CB 0.527 41.560 42.059 -1.711 0.000 1.232 183 L HN 0.641 nan 8.230 nan 0.000 0.413 184 H N 3.024 121.960 119.070 -0.222 0.000 2.499 184 H HA 0.752 5.308 4.556 -0.000 0.000 0.340 184 H C -0.881 174.375 175.328 -0.120 0.000 1.148 184 H CA -0.415 55.557 56.048 -0.127 0.000 1.215 184 H CB 1.590 31.329 29.762 -0.039 0.000 1.529 184 H HN 0.556 nan 8.280 nan 0.000 0.510 185 Q N 1.176 120.974 119.800 -0.003 0.000 2.263 185 Q HA 0.206 4.547 4.340 0.000 0.000 0.266 185 Q C -1.122 174.868 176.000 -0.016 0.000 1.002 185 Q CA -0.750 55.033 55.803 -0.033 0.000 0.790 185 Q CB 2.044 30.724 28.738 -0.097 0.000 1.272 185 Q HN 0.717 nan 8.270 nan 0.000 0.435 186 D N 1.717 122.114 120.400 -0.005 0.000 2.723 186 D HA -0.190 4.451 4.640 0.000 0.000 0.236 186 D C 0.753 177.051 176.300 -0.004 0.000 1.138 186 D CA 1.860 55.853 54.000 -0.011 0.000 0.676 186 D CB -1.170 39.615 40.800 -0.026 0.000 1.069 186 D HN 1.061 nan 8.370 nan 0.000 0.430 187 G N -1.102 107.713 108.800 0.024 0.000 2.166 187 G HA2 -0.307 3.654 3.960 0.000 0.000 0.260 187 G HA3 -0.307 3.654 3.960 0.000 0.000 0.260 187 G C 0.357 175.312 174.900 0.091 0.000 0.986 187 G CA 0.539 45.657 45.100 0.030 0.000 0.683 187 G HN 0.626 nan 8.290 nan 0.000 0.527 188 I N -0.469 120.157 120.570 0.094 0.000 2.569 188 I HA 0.540 4.711 4.170 0.000 0.000 0.296 188 I C 0.209 176.305 176.117 -0.034 0.000 1.028 188 I CA -1.404 59.933 61.300 0.062 0.000 1.082 188 I CB 1.712 39.703 38.000 -0.015 0.000 1.264 188 I HN -0.023 nan 8.210 nan 0.000 0.429 189 L N 6.291 127.416 121.223 -0.162 0.000 2.477 189 L HA 0.190 4.530 4.340 0.000 0.000 0.272 189 L C 1.080 177.785 176.870 -0.276 0.000 1.157 189 L CA 0.699 55.254 54.840 -0.475 0.000 0.889 189 L CB -0.004 41.833 42.059 -0.370 0.000 1.158 189 L HN 0.529 nan 8.230 nan 0.000 0.473 190 R N 2.286 122.604 120.500 -0.302 0.000 2.164 190 R HA 0.326 4.666 4.340 0.000 0.000 0.198 190 R C -0.172 176.070 176.300 -0.098 0.000 1.028 190 R CA 0.401 56.391 56.100 -0.184 0.000 1.083 190 R CB 0.197 30.370 30.300 -0.212 0.000 1.026 190 R HN 0.633 nan 8.270 nan 0.000 0.514 191 T N 0.840 115.312 114.554 -0.135 0.000 2.952 191 T HA 0.458 4.808 4.350 0.000 0.000 0.305 191 T C -0.823 173.948 174.700 0.118 0.000 1.064 191 T CA -0.571 61.556 62.100 0.045 0.000 1.008 191 T CB 2.637 71.609 68.868 0.173 0.000 1.078 191 T HN -0.084 nan 8.240 nan 0.000 0.459 192 S N 1.355 117.171 115.700 0.194 0.000 2.513 192 S HA 0.811 5.281 4.470 0.000 0.000 0.299 192 S C -0.789 173.910 174.600 0.165 0.000 1.087 192 S CA -0.858 57.468 58.200 0.210 0.000 1.012 192 S CB 1.811 65.112 63.200 0.168 0.000 1.044 192 S HN 0.555 nan 8.310 nan 0.000 0.485 193 V N 1.417 121.394 119.914 0.104 0.000 2.524 193 V HA 0.794 4.914 4.120 0.000 0.000 0.297 193 V C -0.395 175.550 176.094 -0.248 0.000 1.035 193 V CA -0.627 61.598 62.300 -0.126 0.000 0.867 193 V CB 1.342 33.020 31.823 -0.242 0.000 1.004 193 V HN 1.082 nan 8.190 nan 0.000 0.426 194 A N 4.712 127.160 122.820 -0.620 0.000 2.343 194 A HA 0.931 5.251 4.320 0.000 0.000 0.316 194 A C -1.274 175.913 177.584 -0.663 0.000 1.104 194 A CA -0.345 51.272 52.037 -0.701 0.000 0.768 194 A CB 0.915 19.001 19.000 -1.523 0.000 1.213 194 A HN 0.589 nan 8.150 nan 0.000 0.456 195 F N 2.853 122.695 119.950 -0.181 0.000 2.443 195 F HA 0.482 5.009 4.527 0.000 0.000 0.335 195 F C -1.365 174.400 175.800 -0.059 0.000 1.104 195 F CA -1.778 56.163 58.000 -0.098 0.000 1.013 195 F CB 2.066 41.029 39.000 -0.062 0.000 1.136 195 F HN 0.438 nan 8.300 nan 0.000 0.470 196 P HA -0.169 nan 4.420 nan 0.000 0.219 196 P C -0.353 177.033 177.300 0.142 0.000 1.146 196 P CA 1.299 64.480 63.100 0.135 0.000 0.808 196 P CB 0.274 32.051 31.700 0.129 0.000 0.779 197 Q N -0.904 118.985 119.800 0.148 0.000 2.320 197 Q HA 0.621 4.961 4.340 0.000 0.000 0.268 197 Q C -0.770 175.281 176.000 0.086 0.000 1.023 197 Q CA -0.463 55.398 55.803 0.097 0.000 0.744 197 Q CB 1.749 30.522 28.738 0.059 0.000 1.246 197 Q HN 0.017 nan 8.270 nan 0.000 0.462 198 A N 2.675 125.544 122.820 0.082 0.000 2.242 198 A HA 0.411 4.731 4.320 0.000 0.000 0.304 198 A C -0.131 177.467 177.584 0.023 0.000 1.100 198 A CA -0.652 51.425 52.037 0.066 0.000 0.860 198 A CB 0.475 19.509 19.000 0.058 0.000 1.168 198 A HN 0.802 nan 8.150 nan 0.000 0.503 199 N N 0.562 119.269 118.700 0.011 0.000 2.417 199 N HA 0.080 4.821 4.740 0.000 0.000 0.272 199 N C 1.217 176.721 175.510 -0.011 0.000 1.304 199 N CA 0.444 53.490 53.050 -0.007 0.000 0.906 199 N CB 0.805 39.287 38.487 -0.008 0.000 1.135 199 N HN 0.612 nan 8.380 nan 0.000 0.483 200 A N 4.788 127.602 122.820 -0.011 0.000 1.958 200 A HA -0.239 4.081 4.320 0.000 0.000 0.221 200 A C 2.053 179.623 177.584 -0.024 0.000 1.178 200 A CA 1.398 53.428 52.037 -0.013 0.000 0.642 200 A CB -0.237 18.757 19.000 -0.009 0.000 0.816 200 A HN 0.867 nan 8.150 nan 0.000 0.453 201 Q N -0.916 118.870 119.800 -0.024 0.000 2.083 201 Q HA -0.211 4.129 4.340 0.000 0.000 0.198 201 Q C 2.139 178.115 176.000 -0.040 0.000 0.969 201 Q CA 1.585 57.370 55.803 -0.029 0.000 0.838 201 Q CB -0.467 28.257 28.738 -0.023 0.000 0.900 201 Q HN 0.846 nan 8.270 nan 0.000 0.436 202 Q N 1.007 120.785 119.800 -0.037 0.000 2.061 202 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 202 Q C 2.202 178.160 176.000 -0.071 0.000 0.984 202 Q CA 1.994 57.768 55.803 -0.048 0.000 0.846 202 Q CB 0.029 28.745 28.738 -0.038 0.000 0.902 202 Q HN 0.306 nan 8.270 nan 0.000 0.421 203 Q N -0.353 119.410 119.800 -0.061 0.000 2.050 203 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 203 Q C 1.805 177.732 176.000 -0.121 0.000 0.980 203 Q CA 1.919 57.675 55.803 -0.079 0.000 0.840 203 Q CB -0.437 28.278 28.738 -0.040 0.000 0.898 203 Q HN 0.439 nan 8.270 nan 0.000 0.424 204 A N 0.323 123.088 122.820 -0.091 0.000 1.883 204 A HA -0.215 4.105 4.320 0.000 0.000 0.217 204 A C 2.130 179.640 177.584 -0.123 0.000 1.186 204 A CA 1.868 53.845 52.037 -0.101 0.000 0.624 204 A CB -0.655 18.307 19.000 -0.063 0.000 0.822 204 A HN 0.339 nan 8.150 nan 0.000 0.444 205 R N 0.204 120.642 120.500 -0.103 0.000 2.075 205 R HA 0.043 4.383 4.340 0.000 0.000 0.232 205 R C 2.157 178.375 176.300 -0.137 0.000 1.126 205 R CA 1.902 57.941 56.100 -0.101 0.000 0.963 205 R CB -1.112 29.143 30.300 -0.074 0.000 0.858 205 R HN 0.380 nan 8.270 nan 0.000 0.435 206 A N 0.797 123.524 122.820 -0.155 0.000 1.865 206 A HA -0.195 4.126 4.320 0.000 0.000 0.217 206 A C 2.055 179.472 177.584 -0.278 0.000 1.191 206 A CA 1.853 53.778 52.037 -0.188 0.000 0.623 206 A CB -0.633 18.268 19.000 -0.164 0.000 0.826 206 A HN 0.553 nan 8.150 nan 0.000 0.444 207 E N -0.591 119.366 120.200 -0.406 0.000 2.085 207 E HA -0.228 4.122 4.350 0.000 0.000 0.194 207 E C 2.039 178.398 176.600 -0.402 0.000 0.994 207 E CA 1.270 57.242 56.400 -0.713 0.000 0.801 207 E CB -0.185 28.976 29.700 -0.898 0.000 0.743 207 E HN 0.752 nan 8.360 nan 0.000 0.453 208 E N 0.426 120.486 120.200 -0.234 0.000 2.048 208 E HA -0.255 4.095 4.350 0.000 0.000 0.202 208 E C 2.152 178.695 176.600 -0.094 0.000 1.021 208 E CA 1.644 57.968 56.400 -0.126 0.000 0.825 208 E CB -0.045 29.599 29.700 -0.093 0.000 0.756 208 E HN 0.234 nan 8.360 nan 0.000 0.454 209 M N -0.108 119.425 119.600 -0.111 0.000 2.082 209 M HA -0.220 4.260 4.480 0.000 0.000 0.258 209 M C 2.515 178.775 176.300 -0.066 0.000 1.071 209 M CA 1.171 56.414 55.300 -0.094 0.000 1.103 209 M CB -0.455 32.062 32.600 -0.138 0.000 1.307 209 M HN 0.193 nan 8.290 nan 0.000 0.409 210 L N 0.468 121.641 121.223 -0.083 0.000 2.042 210 L HA -0.160 4.180 4.340 0.000 0.000 0.210 210 L C 2.489 179.417 176.870 0.096 0.000 1.076 210 L CA 1.952 56.799 54.840 0.011 0.000 0.749 210 L CB -0.686 41.416 42.059 0.072 0.000 0.893 210 L HN 0.233 nan 8.230 nan 0.000 0.432 211 S N -0.145 115.618 115.700 0.104 0.000 2.368 211 S HA -0.154 4.316 4.470 0.000 0.000 0.225 211 S C 2.159 176.806 174.600 0.078 0.000 1.030 211 S CA 0.958 59.247 58.200 0.149 0.000 0.999 211 S CB -0.870 62.415 63.200 0.141 0.000 0.844 211 S HN 0.623 nan 8.310 nan 0.000 0.459 212 A N 2.041 124.886 122.820 0.042 0.000 1.884 212 A HA -0.162 4.158 4.320 0.000 0.000 0.219 212 A C 2.108 179.716 177.584 0.040 0.000 1.197 212 A CA 1.766 53.823 52.037 0.034 0.000 0.637 212 A CB -0.950 18.061 19.000 0.019 0.000 0.827 212 A HN 0.477 nan 8.150 nan 0.000 0.450 213 I N -0.712 119.880 120.570 0.037 0.000 2.072 213 I HA -0.339 3.831 4.170 0.000 0.000 0.235 213 I C 2.838 178.966 176.117 0.020 0.000 1.058 213 I CA 1.942 63.260 61.300 0.030 0.000 1.320 213 I CB -0.491 37.525 38.000 0.027 0.000 1.047 213 I HN 0.344 nan 8.210 nan 0.000 0.397 214 M N -0.147 119.472 119.600 0.033 0.000 2.108 214 M HA -0.342 4.138 4.480 0.000 0.000 0.257 214 M C 2.463 178.808 176.300 0.075 0.000 1.071 214 M CA 2.004 57.348 55.300 0.073 0.000 1.093 214 M CB -0.821 31.850 32.600 0.119 0.000 1.345 214 M HN 0.375 nan 8.290 nan 0.000 0.403 215 Q N 0.758 120.594 119.800 0.060 0.000 2.020 215 Q HA -0.263 4.077 4.340 0.000 0.000 0.202 215 Q C 1.894 177.915 176.000 0.034 0.000 0.982 215 Q CA 2.168 57.999 55.803 0.046 0.000 0.838 215 Q CB -0.085 28.680 28.738 0.046 0.000 0.899 215 Q HN 0.449 nan 8.270 nan 0.000 0.423 216 E N 0.353 120.571 120.200 0.030 0.000 2.130 216 E HA -0.207 4.143 4.350 0.000 0.000 0.196 216 E C 1.758 178.364 176.600 0.010 0.000 0.998 216 E CA 1.657 58.069 56.400 0.020 0.000 0.806 216 E CB -0.380 29.331 29.700 0.018 0.000 0.738 216 E HN 0.526 nan 8.360 nan 0.000 0.459 217 L N -1.162 120.067 121.223 0.011 0.000 2.209 217 L HA 0.179 4.519 4.340 0.000 0.000 0.207 217 L C 1.578 178.462 176.870 0.023 0.000 1.094 217 L CA 0.485 55.328 54.840 0.005 0.000 0.790 217 L CB -0.273 41.785 42.059 -0.002 0.000 0.932 217 L HN 0.494 nan 8.230 nan 0.000 0.447 218 G N -0.665 108.157 108.800 0.038 0.000 2.171 218 G HA2 -0.341 3.619 3.960 0.000 0.000 0.238 218 G HA3 -0.341 3.619 3.960 0.000 0.000 0.238 218 G C -0.049 174.855 174.900 0.007 0.000 1.039 218 G CA -0.242 44.870 45.100 0.021 0.000 0.759 218 G HN 0.233 nan 8.290 nan 0.000 0.501 219 Y N -0.012 120.222 120.300 -0.109 0.000 2.411 219 Y HA 0.468 5.018 4.550 0.001 0.000 0.333 219 Y C 0.421 176.203 175.900 -0.197 0.000 1.186 219 Y CA -0.025 57.983 58.100 -0.154 0.000 1.381 219 Y CB 1.124 39.507 38.460 -0.129 0.000 1.273 219 Y HN 0.202 nan 8.280 nan 0.000 0.546 220 V N 5.505 124.861 119.914 -0.930 0.000 2.531 220 V HA 0.806 4.926 4.120 0.000 0.000 0.301 220 V C 0.194 175.701 176.094 -0.977 0.000 1.034 220 V CA 0.022 61.806 62.300 -0.859 0.000 0.865 220 V CB 0.882 32.054 31.823 -1.084 0.000 0.995 220 V HN 1.200 nan 8.190 nan 0.000 0.424 221 G N 3.525 111.973 108.800 -0.587 0.000 2.362 221 G HA2 0.041 4.001 3.960 0.000 0.000 0.517 221 G HA3 0.041 4.001 3.960 0.000 0.000 0.517 221 G C -1.001 173.942 174.900 0.073 0.000 1.256 221 G CA -0.372 44.532 45.100 -0.325 0.000 1.027 221 G HN 0.777 nan 8.290 nan 0.000 0.491 222 V N 1.123 121.275 119.914 0.396 0.000 2.607 222 V HA 0.709 4.829 4.120 0.000 0.000 0.289 222 V C 0.682 177.003 176.094 0.378 0.000 1.053 222 V CA 0.618 63.094 62.300 0.293 0.000 0.996 222 V CB 1.407 33.337 31.823 0.178 0.000 0.995 222 V HN 1.007 nan 8.190 nan 0.000 0.476 223 M N 4.280 123.996 119.600 0.193 0.000 2.371 223 M HA 0.764 5.244 4.480 0.000 0.000 0.287 223 M C -1.091 175.189 176.300 -0.033 0.000 1.149 223 M CA -0.389 54.914 55.300 0.005 0.000 0.929 223 M CB 1.980 34.416 32.600 -0.274 0.000 1.683 223 M HN 0.705 nan 8.290 nan 0.000 0.470 224 A N 4.876 127.627 122.820 -0.115 0.000 2.325 224 A HA 0.882 5.202 4.320 0.000 0.000 0.333 224 A C -1.246 176.208 177.584 -0.216 0.000 1.155 224 A CA -0.795 51.138 52.037 -0.173 0.000 0.814 224 A CB 1.596 20.406 19.000 -0.317 0.000 1.206 224 A HN 0.974 nan 8.150 nan 0.000 0.482 225 M N 1.937 121.420 119.600 -0.194 0.000 2.151 225 M HA 0.346 4.826 4.480 0.000 0.000 0.290 225 M C -1.198 174.953 176.300 -0.249 0.000 0.965 225 M CA -0.038 55.140 55.300 -0.204 0.000 0.930 225 M CB 1.308 33.818 32.600 -0.149 0.000 1.560 225 M HN 0.790 nan 8.290 nan 0.000 0.438 226 E N 3.676 123.693 120.200 -0.305 0.000 2.200 226 E HA 0.404 4.755 4.350 0.000 0.000 0.283 226 E C -1.263 175.077 176.600 -0.433 0.000 1.015 226 E CA -0.436 55.761 56.400 -0.339 0.000 0.819 226 E CB 1.353 30.846 29.700 -0.346 0.000 1.081 226 E HN 0.679 nan 8.360 nan 0.000 0.397 227 C N 3.141 122.191 119.300 -0.417 0.000 2.707 227 C HA 0.535 4.995 4.460 0.000 0.000 0.313 227 C C -0.705 173.995 174.990 -0.482 0.000 1.209 227 C CA -0.913 57.839 59.018 -0.442 0.000 1.635 227 C CB 0.499 28.084 27.740 -0.258 0.000 2.206 227 C HN 0.614 nan 8.230 nan 0.000 0.485 228 F N 1.056 120.863 119.950 -0.238 0.000 2.422 228 F HA 0.544 5.071 4.527 0.001 0.000 0.333 228 F C 0.260 176.003 175.800 -0.095 0.000 1.095 228 F CA -0.848 56.989 58.000 -0.272 0.000 1.038 228 F CB 1.143 40.015 39.000 -0.213 0.000 1.156 228 F HN 0.148 nan 8.300 nan 0.000 0.483 229 V N 2.838 122.878 119.914 0.210 0.000 2.318 229 V HA 0.401 4.521 4.120 0.000 0.000 0.271 229 V C 0.128 176.350 176.094 0.212 0.000 1.030 229 V CA -0.449 61.950 62.300 0.165 0.000 0.844 229 V CB 1.019 32.926 31.823 0.140 0.000 1.015 229 V HN 0.927 nan 8.190 nan 0.000 0.460 230 T N 3.189 117.834 114.554 0.152 0.000 2.919 230 T HA 0.557 4.907 4.350 0.000 0.000 0.282 230 T C -1.915 172.829 174.700 0.073 0.000 1.020 230 T CA -1.962 60.210 62.100 0.120 0.000 0.994 230 T CB 2.116 71.049 68.868 0.107 0.000 1.180 230 T HN 0.340 nan 8.240 nan 0.000 0.566 231 P HA 0.032 nan 4.420 nan 0.000 0.227 231 P C 1.232 178.550 177.300 0.029 0.000 1.161 231 P CA 0.767 63.888 63.100 0.035 0.000 0.788 231 P CB -0.035 31.680 31.700 0.024 0.000 0.822 232 Q N -0.956 118.864 119.800 0.033 0.000 2.392 232 Q HA 0.385 4.726 4.340 0.000 0.000 0.203 232 Q C 0.773 176.788 176.000 0.025 0.000 0.917 232 Q CA 0.558 56.377 55.803 0.027 0.000 0.939 232 Q CB 0.151 28.906 28.738 0.028 0.000 1.063 232 Q HN 0.089 nan 8.270 nan 0.000 0.516 233 G N 0.621 109.439 108.800 0.032 0.000 2.346 233 G HA2 0.040 4.001 3.960 0.000 0.000 0.294 233 G HA3 0.040 4.001 3.960 0.000 0.000 0.294 233 G C -1.718 173.200 174.900 0.030 0.000 1.294 233 G CA -1.095 44.018 45.100 0.021 0.000 0.962 233 G HN 0.099 nan 8.290 nan 0.000 0.508 234 L N 0.140 121.364 121.223 0.002 0.000 2.360 234 L HA 0.595 4.935 4.340 0.000 0.000 0.276 234 L C -0.113 176.737 176.870 -0.032 0.000 1.121 234 L CA -0.411 54.420 54.840 -0.016 0.000 0.845 234 L CB 0.882 42.903 42.059 -0.062 0.000 1.143 234 L HN 0.438 nan 8.230 nan 0.000 0.452 235 L N 4.546 125.761 121.223 -0.012 0.000 2.346 235 L HA 0.485 4.826 4.340 0.000 0.000 0.276 235 L C -0.280 176.484 176.870 -0.177 0.000 1.006 235 L CA -0.161 54.655 54.840 -0.041 0.000 0.817 235 L CB 2.009 44.125 42.059 0.095 0.000 1.272 235 L HN 0.366 nan 8.230 nan 0.000 0.421 236 I N 2.918 123.300 120.570 -0.312 0.000 2.471 236 I HA 0.104 4.274 4.170 0.000 0.000 0.286 236 I C 0.804 176.634 176.117 -0.477 0.000 1.079 236 I CA 0.176 61.162 61.300 -0.523 0.000 1.398 236 I CB 0.642 38.092 38.000 -0.917 0.000 1.403 236 I HN 0.687 nan 8.210 nan 0.000 0.530 237 N N 5.017 123.420 118.700 -0.496 0.000 2.517 237 N HA 0.103 4.844 4.740 0.000 0.000 0.202 237 N C 0.070 175.458 175.510 -0.203 0.000 1.042 237 N CA 0.846 53.645 53.050 -0.419 0.000 0.952 237 N CB 0.564 38.519 38.487 -0.887 0.000 1.211 237 N HN 0.653 nan 8.380 nan 0.000 0.458 238 E N -0.787 119.267 120.200 -0.243 0.000 2.369 238 E HA 0.451 4.801 4.350 0.000 0.000 0.270 238 E C -1.832 174.705 176.600 -0.105 0.000 0.909 238 E CA -0.828 55.498 56.400 -0.122 0.000 0.775 238 E CB 1.926 31.520 29.700 -0.177 0.000 1.270 238 E HN 0.052 nan 8.360 nan 0.000 0.445 239 L N 1.661 122.849 121.223 -0.058 0.000 2.404 239 L HA 0.569 4.910 4.340 0.000 0.000 0.272 239 L C -1.357 175.435 176.870 -0.129 0.000 0.980 239 L CA -0.285 54.501 54.840 -0.091 0.000 0.836 239 L CB 1.622 43.671 42.059 -0.017 0.000 1.238 239 L HN 0.575 nan 8.230 nan 0.000 0.408 240 A N 6.127 128.846 122.820 -0.168 0.000 2.285 240 A HA 0.817 5.138 4.320 0.000 0.000 0.310 240 A C -2.431 175.098 177.584 -0.091 0.000 1.266 240 A CA -1.282 50.697 52.037 -0.097 0.000 0.832 240 A CB 0.654 19.619 19.000 -0.058 0.000 1.163 240 A HN 0.464 nan 8.150 nan 0.000 0.499 241 P HA 0.228 nan 4.420 nan 0.000 0.220 241 P C -0.537 176.924 177.300 0.268 0.000 1.806 241 P CA 0.164 63.246 63.100 -0.029 0.000 0.976 241 P CB -0.766 30.987 31.700 0.088 0.000 1.952 242 R N -1.555 119.040 120.500 0.158 0.000 3.012 242 R HA 0.324 4.664 4.340 0.000 0.000 0.287 242 R C -1.012 175.290 176.300 0.005 0.000 0.990 242 R CA -1.041 55.120 56.100 0.101 0.000 0.839 242 R CB -0.094 30.275 30.300 0.115 0.000 1.317 242 R HN -0.133 nan 8.270 nan 0.000 0.518 243 V N -0.627 119.214 119.914 -0.121 0.000 2.901 243 V HA 0.237 4.357 4.120 0.000 0.000 0.307 243 V C -0.032 176.032 176.094 -0.051 0.000 1.084 243 V CA 0.346 62.540 62.300 -0.177 0.000 1.184 243 V CB 0.479 32.048 31.823 -0.424 0.000 0.941 243 V HN 0.780 nan 8.190 nan 0.000 0.493 244 H N 3.046 121.977 119.070 -0.232 0.000 2.679 244 H HA 0.310 4.866 4.556 0.000 0.000 0.367 244 H C 0.879 175.955 175.328 -0.420 0.000 1.162 244 H CA -0.047 55.870 56.048 -0.217 0.000 1.181 244 H CB 2.212 31.873 29.762 -0.168 0.000 1.693 244 H HN 0.954 nan 8.280 nan 0.000 0.538 245 N N 0.837 118.925 118.700 -1.019 0.000 2.104 245 N HA -0.228 4.512 4.740 0.000 0.000 0.190 245 N C 1.671 176.594 175.510 -0.977 0.000 1.024 245 N CA 1.663 53.947 53.050 -1.278 0.000 0.853 245 N CB 0.109 38.133 38.487 -0.772 0.000 1.008 245 N HN 0.585 nan 8.380 nan 0.000 0.424 246 S N -0.934 114.398 115.700 -0.614 0.000 2.442 246 S HA -0.042 4.429 4.470 0.000 0.000 0.236 246 S C 1.679 176.247 174.600 -0.053 0.000 1.007 246 S CA 1.058 59.184 58.200 -0.123 0.000 0.965 246 S CB -0.350 62.970 63.200 0.200 0.000 0.773 246 S HN 0.393 nan 8.310 nan 0.000 0.504 247 G N -0.376 108.274 108.800 -0.250 0.000 3.284 247 G HA2 0.184 4.144 3.960 0.000 0.000 0.236 247 G HA3 0.184 4.144 3.960 0.000 0.000 0.236 247 G C 0.741 175.287 174.900 -0.589 0.000 1.158 247 G CA -0.290 44.533 45.100 -0.461 0.000 0.774 247 G HN 0.496 nan 8.290 nan 0.000 0.545 248 H N 0.365 119.199 119.070 -0.394 0.000 2.489 248 H HA -0.086 4.470 4.556 0.000 0.000 0.293 248 H C 2.271 177.443 175.328 -0.262 0.000 1.066 248 H CA 0.521 56.377 56.048 -0.319 0.000 1.305 248 H CB -0.223 29.235 29.762 -0.506 0.000 1.386 248 H HN 0.847 nan 8.280 nan 0.000 0.551 249 W N 1.819 123.095 121.300 -0.039 0.000 2.468 249 W HA -0.140 4.520 4.660 0.001 0.000 0.262 249 W C 1.165 177.640 176.519 -0.074 0.000 1.241 249 W CA 1.418 58.742 57.345 -0.036 0.000 1.232 249 W CB -1.233 28.202 29.460 -0.041 0.000 1.124 249 W HN 0.184 nan 8.180 nan 0.000 0.597 250 T N -0.965 112.973 114.554 -1.026 0.000 3.007 250 T HA -0.192 4.158 4.350 0.000 0.000 0.270 250 T C 1.680 176.195 174.700 -0.309 0.000 1.107 250 T CA 1.531 63.038 62.100 -0.988 0.000 1.118 250 T CB -0.483 67.448 68.868 -1.561 0.000 0.889 250 T HN 0.304 nan 8.240 nan 0.000 0.506 251 Q N 1.357 121.068 119.800 -0.148 0.000 2.061 251 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 251 Q C 1.707 177.716 176.000 0.015 0.000 0.984 251 Q CA 2.034 57.838 55.803 0.001 0.000 0.846 251 Q CB -0.183 28.557 28.738 0.003 0.000 0.902 251 Q HN 0.698 nan 8.270 nan 0.000 0.421 252 N N -1.989 116.713 118.700 0.004 0.000 2.250 252 N HA 0.085 4.825 4.740 0.000 0.000 0.190 252 N C 0.886 176.413 175.510 0.028 0.000 1.116 252 N CA 0.510 53.524 53.050 -0.059 0.000 0.881 252 N CB 0.949 39.224 38.487 -0.354 0.000 1.006 252 N HN 0.162 nan 8.380 nan 0.000 0.491 253 G N -0.877 108.025 108.800 0.171 0.000 3.159 253 G HA2 0.565 4.526 3.960 0.000 0.000 0.232 253 G HA3 0.565 4.526 3.960 0.000 0.000 0.232 253 G C 0.003 175.114 174.900 0.353 0.000 1.116 253 G CA -0.027 45.247 45.100 0.289 0.000 0.767 253 G HN 0.301 nan 8.290 nan 0.000 0.547 254 A N 0.096 123.055 122.820 0.231 0.000 2.384 254 A HA 0.657 4.977 4.320 0.000 0.000 0.312 254 A C 1.362 179.038 177.584 0.154 0.000 1.113 254 A CA 0.404 52.580 52.037 0.232 0.000 0.779 254 A CB 1.268 20.377 19.000 0.181 0.000 1.307 254 A HN 0.510 nan 8.150 nan 0.000 0.436 255 S N 0.274 116.068 115.700 0.158 0.000 2.453 255 S HA 0.129 4.599 4.470 0.000 0.000 0.231 255 S C 0.368 175.025 174.600 0.095 0.000 1.005 255 S CA 0.974 59.240 58.200 0.110 0.000 0.949 255 S CB -0.501 62.754 63.200 0.092 0.000 0.774 255 S HN 0.528 nan 8.310 nan 0.000 0.510 256 I N 2.245 122.887 120.570 0.119 0.000 2.500 256 I HA 0.296 4.466 4.170 0.000 0.000 0.286 256 I C 0.013 176.215 176.117 0.142 0.000 1.063 256 I CA -0.632 60.734 61.300 0.110 0.000 1.062 256 I CB 2.292 40.341 38.000 0.081 0.000 1.223 256 I HN 0.208 nan 8.210 nan 0.000 0.435 257 S N 4.270 120.021 115.700 0.084 0.000 2.608 257 S HA 0.130 4.600 4.470 0.000 0.000 0.261 257 S C 1.117 175.721 174.600 0.006 0.000 1.314 257 S CA -0.292 57.910 58.200 0.002 0.000 0.992 257 S CB 1.115 64.365 63.200 0.083 0.000 0.935 257 S HN 0.774 nan 8.310 nan 0.000 0.564 258 Q N 0.403 120.052 119.800 -0.251 0.000 2.124 258 Q HA -0.140 4.201 4.340 0.000 0.000 0.202 258 Q C 1.477 177.352 176.000 -0.209 0.000 0.977 258 Q CA 1.579 57.215 55.803 -0.278 0.000 0.850 258 Q CB -0.790 27.598 28.738 -0.583 0.000 0.901 258 Q HN 0.740 nan 8.270 nan 0.000 0.429 259 F N 1.786 121.738 119.950 0.004 0.000 2.102 259 F HA -0.110 4.417 4.527 0.000 0.000 0.298 259 F C 2.387 178.231 175.800 0.072 0.000 1.105 259 F CA 1.497 59.516 58.000 0.032 0.000 1.239 259 F CB -0.444 38.544 39.000 -0.020 0.000 0.991 259 F HN 0.092 nan 8.300 nan 0.000 0.474 260 E N 0.102 120.432 120.200 0.218 0.000 2.077 260 E HA -0.219 4.131 4.350 0.000 0.000 0.193 260 E C 2.206 178.865 176.600 0.098 0.000 0.989 260 E CA 0.952 57.434 56.400 0.136 0.000 0.800 260 E CB -0.358 29.405 29.700 0.105 0.000 0.746 260 E HN 0.200 nan 8.360 nan 0.000 0.452 261 L N 0.530 121.808 121.223 0.092 0.000 1.989 261 L HA -0.243 4.097 4.340 0.000 0.000 0.211 261 L C 2.334 179.227 176.870 0.039 0.000 1.071 261 L CA 2.165 57.035 54.840 0.050 0.000 0.749 261 L CB -0.728 41.365 42.059 0.057 0.000 0.890 261 L HN 0.211 nan 8.230 nan 0.000 0.431 262 H N -1.023 118.046 119.070 -0.001 0.000 2.289 262 H HA -0.194 4.362 4.556 0.000 0.000 0.296 262 H C 2.173 177.506 175.328 0.009 0.000 1.091 262 H CA 2.351 58.397 56.048 -0.002 0.000 1.274 262 H CB -0.267 29.511 29.762 0.027 0.000 1.364 262 H HN 0.307 nan 8.280 nan 0.000 0.490 263 L N -0.287 120.962 121.223 0.043 0.000 2.042 263 L HA -0.212 4.129 4.340 0.000 0.000 0.210 263 L C 2.811 179.658 176.870 -0.039 0.000 1.076 263 L CA 1.576 56.417 54.840 0.001 0.000 0.749 263 L CB -0.384 41.722 42.059 0.077 0.000 0.893 263 L HN 0.285 nan 8.230 nan 0.000 0.432 264 R N -0.327 120.157 120.500 -0.026 0.000 2.070 264 R HA -0.160 4.180 4.340 0.000 0.000 0.233 264 R C 2.461 178.738 176.300 -0.039 0.000 1.137 264 R CA 1.466 57.554 56.100 -0.019 0.000 0.945 264 R CB -0.526 29.763 30.300 -0.018 0.000 0.845 264 R HN 0.377 nan 8.270 nan 0.000 0.430 265 A N 1.799 124.554 122.820 -0.107 0.000 1.849 265 A HA -0.210 4.110 4.320 0.000 0.000 0.217 265 A C 2.212 179.727 177.584 -0.116 0.000 1.202 265 A CA 2.004 53.946 52.037 -0.159 0.000 0.629 265 A CB -0.916 17.913 19.000 -0.285 0.000 0.834 265 A HN 0.523 nan 8.150 nan 0.000 0.447 266 I N -1.944 118.503 120.570 -0.204 0.000 2.614 266 I HA -0.097 4.073 4.170 0.000 0.000 0.258 266 I C 1.751 177.955 176.117 0.144 0.000 1.189 266 I CA 1.953 63.222 61.300 -0.052 0.000 1.462 266 I CB -0.684 37.213 38.000 -0.172 0.000 1.092 266 I HN 0.356 nan 8.210 nan 0.000 0.442 267 T N -3.110 111.488 114.554 0.072 0.000 3.186 267 T HA 0.183 4.534 4.350 0.000 0.000 0.257 267 T C 0.440 175.186 174.700 0.077 0.000 1.029 267 T CA -0.035 62.112 62.100 0.078 0.000 0.916 267 T CB -0.399 68.496 68.868 0.046 0.000 1.041 267 T HN 0.484 nan 8.240 nan 0.000 0.562 268 D N 0.220 120.700 120.400 0.134 0.000 2.981 268 D HA -0.107 4.533 4.640 0.000 0.000 0.223 268 D C -0.347 175.986 176.300 0.055 0.000 1.151 268 D CA 0.269 54.334 54.000 0.108 0.000 0.827 268 D CB -1.269 39.542 40.800 0.019 0.000 1.101 268 D HN 0.352 nan 8.370 nan 0.000 0.426 269 L N 0.183 121.431 121.223 0.042 0.000 2.431 269 L HA 0.460 4.800 4.340 0.000 0.000 0.260 269 L C -1.625 175.252 176.870 0.012 0.000 1.098 269 L CA -1.465 53.388 54.840 0.021 0.000 0.800 269 L CB -0.323 41.745 42.059 0.015 0.000 1.210 269 L HN -0.253 nan 8.230 nan 0.000 0.465 270 P HA 0.134 nan 4.420 nan 0.000 0.271 270 P C -0.786 176.505 177.300 -0.015 0.000 1.216 270 P CA -0.128 62.970 63.100 -0.002 0.000 0.771 270 P CB 0.455 32.155 31.700 -0.000 0.000 0.864 271 L N 6.156 127.362 121.223 -0.028 0.000 2.599 271 L HA 0.408 4.749 4.340 0.000 0.000 0.241 271 L C -2.128 174.706 176.870 -0.060 0.000 1.207 271 L CA -1.778 53.030 54.840 -0.054 0.000 0.987 271 L CB 0.246 42.261 42.059 -0.073 0.000 1.318 271 L HN 0.274 nan 8.230 nan 0.000 0.458 272 P HA 0.279 nan 4.420 nan 0.000 0.280 272 P C -1.005 176.251 177.300 -0.073 0.000 1.272 272 P CA -0.737 62.336 63.100 -0.045 0.000 0.819 272 P CB 0.738 32.426 31.700 -0.020 0.000 1.122 273 Q N 1.719 121.480 119.800 -0.065 0.000 2.271 273 Q HA 0.211 4.552 4.340 0.000 0.000 0.273 273 Q C -2.100 173.862 176.000 -0.062 0.000 1.051 273 Q CA -1.396 54.356 55.803 -0.085 0.000 0.901 273 Q CB -0.618 28.098 28.738 -0.037 0.000 1.174 273 Q HN 0.227 nan 8.270 nan 0.000 0.385 274 P HA 0.044 nan 4.420 nan 0.000 0.271 274 P C -1.012 176.327 177.300 0.065 0.000 1.216 274 P CA -0.222 62.872 63.100 -0.010 0.000 0.776 274 P CB 0.718 32.419 31.700 0.002 0.000 0.881 275 V N 3.701 123.674 119.914 0.098 0.000 2.432 275 V HA 0.201 4.322 4.120 0.000 0.000 0.275 275 V C 0.287 176.487 176.094 0.176 0.000 1.043 275 V CA -0.237 62.133 62.300 0.117 0.000 0.925 275 V CB 1.489 33.366 31.823 0.089 0.000 0.985 275 V HN 0.232 nan 8.190 nan 0.000 0.466 276 V N 5.442 125.472 119.914 0.192 0.000 2.419 276 V HA 0.386 4.506 4.120 0.000 0.000 0.287 276 V C 0.389 176.579 176.094 0.159 0.000 1.017 276 V CA -0.562 61.878 62.300 0.234 0.000 0.844 276 V CB 1.361 33.387 31.823 0.337 0.000 1.011 276 V HN 0.844 nan 8.190 nan 0.000 0.429 277 N N 2.526 121.306 118.700 0.133 0.000 2.402 277 N HA 0.122 4.862 4.740 0.000 0.000 0.174 277 N C 0.391 175.955 175.510 0.090 0.000 1.027 277 N CA 0.577 53.687 53.050 0.101 0.000 0.891 277 N CB 0.378 38.917 38.487 0.086 0.000 1.016 277 N HN 0.564 nan 8.380 nan 0.000 0.439 278 N N 0.397 119.145 118.700 0.080 0.000 2.545 278 N HA 0.446 5.186 4.740 0.000 0.000 0.289 278 N C -2.743 172.756 175.510 -0.018 0.000 1.279 278 N CA -1.241 51.838 53.050 0.048 0.000 0.824 278 N CB 1.315 39.823 38.487 0.035 0.000 1.395 278 N HN -0.084 nan 8.380 nan 0.000 0.526 279 P HA 0.364 nan 4.420 nan 0.000 0.281 279 P C -0.823 176.321 177.300 -0.259 0.000 1.249 279 P CA -0.203 62.726 63.100 -0.285 0.000 0.810 279 P CB 0.887 32.389 31.700 -0.331 0.000 1.008 280 S N 0.121 115.589 115.700 -0.388 0.000 2.599 280 S HA 0.659 5.129 4.470 0.000 0.000 0.287 280 S C -0.878 173.601 174.600 -0.201 0.000 1.105 280 S CA -0.619 57.445 58.200 -0.227 0.000 0.899 280 S CB 1.564 64.684 63.200 -0.134 0.000 1.100 280 S HN 0.196 nan 8.310 nan 0.000 0.482 281 V N 2.501 122.395 119.914 -0.032 0.000 2.569 281 V HA 0.504 4.624 4.120 0.000 0.000 0.301 281 V C -0.581 175.587 176.094 0.124 0.000 1.044 281 V CA -0.512 61.816 62.300 0.046 0.000 0.874 281 V CB 1.682 33.557 31.823 0.086 0.000 1.002 281 V HN 0.926 nan 8.190 nan 0.000 0.424 282 M N 6.000 125.695 119.600 0.158 0.000 2.336 282 M HA 0.665 5.145 4.480 0.000 0.000 0.342 282 M C -1.703 174.694 176.300 0.161 0.000 1.128 282 M CA -0.475 54.943 55.300 0.197 0.000 1.016 282 M CB 1.402 34.129 32.600 0.210 0.000 1.665 282 M HN 0.612 nan 8.290 nan 0.000 0.445 283 I N 4.558 125.221 120.570 0.156 0.000 2.410 283 I HA 0.275 4.445 4.170 0.000 0.000 0.286 283 I C -0.386 175.817 176.117 0.143 0.000 1.009 283 I CA -0.811 60.562 61.300 0.122 0.000 1.111 283 I CB 1.638 39.673 38.000 0.058 0.000 1.262 283 I HN 0.677 nan 8.210 nan 0.000 0.443 284 N N 6.501 125.283 118.700 0.137 0.000 2.518 284 N HA 0.348 5.088 4.740 0.000 0.000 0.266 284 N C -0.905 174.720 175.510 0.192 0.000 1.196 284 N CA 0.085 53.222 53.050 0.146 0.000 0.947 284 N CB 1.021 39.545 38.487 0.060 0.000 1.098 284 N HN 0.434 nan 8.380 nan 0.000 0.450 285 L N 3.870 125.184 121.223 0.151 0.000 2.280 285 L HA 0.505 4.845 4.340 0.000 0.000 0.287 285 L C -0.314 176.648 176.870 0.152 0.000 1.023 285 L CA -0.526 54.425 54.840 0.185 0.000 0.819 285 L CB 0.802 42.925 42.059 0.106 0.000 1.212 285 L HN 0.348 nan 8.230 nan 0.000 0.420 286 I N 2.362 123.068 120.570 0.225 0.000 2.447 286 I HA 0.393 4.563 4.170 0.000 0.000 0.287 286 I C 0.990 177.197 176.117 0.151 0.000 1.023 286 I CA -0.063 61.309 61.300 0.119 0.000 1.083 286 I CB 1.946 39.961 38.000 0.025 0.000 1.245 286 I HN 0.769 nan 8.210 nan 0.000 0.434 287 G N 3.744 112.615 108.800 0.120 0.000 2.200 287 G HA2 -0.280 3.680 3.960 0.000 0.000 0.268 287 G HA3 -0.280 3.680 3.960 0.000 0.000 0.268 287 G C 0.244 175.258 174.900 0.191 0.000 0.986 287 G CA 0.684 45.859 45.100 0.126 0.000 0.677 287 G HN 0.562 nan 8.290 nan 0.000 0.532 288 S N -0.144 115.719 115.700 0.273 0.000 2.654 288 S HA 0.601 5.072 4.470 0.000 0.000 0.283 288 S C -0.264 174.546 174.600 0.351 0.000 1.180 288 S CA -0.807 57.578 58.200 0.310 0.000 1.021 288 S CB 1.880 65.303 63.200 0.371 0.000 1.018 288 S HN 0.249 nan 8.310 nan 0.000 0.532 289 D N 0.984 121.523 120.400 0.231 0.000 2.253 289 D HA 0.351 4.991 4.640 0.000 0.000 0.249 289 D C -0.272 175.949 176.300 -0.132 0.000 1.049 289 D CA -0.432 53.634 54.000 0.110 0.000 0.929 289 D CB 1.424 42.218 40.800 -0.010 0.000 1.176 289 D HN 0.194 nan 8.370 nan 0.000 0.437 290 V N 2.789 122.339 119.914 -0.607 0.000 2.585 290 V HA 0.022 4.142 4.120 0.000 0.000 0.296 290 V C 0.659 176.068 176.094 -1.141 0.000 1.035 290 V CA -0.086 61.583 62.300 -1.051 0.000 1.084 290 V CB 0.466 31.348 31.823 -1.567 0.000 0.953 290 V HN 0.403 nan 8.190 nan 0.000 0.483 291 N N 2.938 120.450 118.700 -1.980 0.000 2.626 291 N HA 0.288 5.028 4.740 0.000 0.000 0.242 291 N C 0.150 174.818 175.510 -1.404 0.000 1.005 291 N CA -0.494 51.541 53.050 -1.693 0.000 0.905 291 N CB 0.428 37.838 38.487 -1.795 0.000 1.128 291 N HN 0.530 nan 8.380 nan 0.000 0.512 292 Y N 0.682 120.574 120.300 -0.681 0.000 2.651 292 Y HA -0.110 4.440 4.550 0.001 0.000 0.293 292 Y C 1.383 177.107 175.900 -0.293 0.000 1.151 292 Y CA 0.697 58.559 58.100 -0.397 0.000 1.362 292 Y CB 0.075 38.363 38.460 -0.286 0.000 0.973 292 Y HN 0.512 nan 8.280 nan 0.000 0.561 293 D N -1.580 118.657 120.400 -0.271 0.000 2.312 293 D HA -0.147 4.493 4.640 0.000 0.000 0.211 293 D C 1.522 177.806 176.300 -0.026 0.000 0.964 293 D CA 0.738 54.647 54.000 -0.152 0.000 0.877 293 D CB -0.188 40.499 40.800 -0.189 0.000 0.924 293 D HN 0.279 nan 8.370 nan 0.000 0.515 294 W N 0.038 121.298 121.300 -0.067 0.000 2.374 294 W HA -0.033 4.627 4.660 0.000 0.000 0.288 294 W C 1.486 177.976 176.519 -0.049 0.000 1.218 294 W CA 0.056 57.358 57.345 -0.072 0.000 1.245 294 W CB -0.976 28.420 29.460 -0.108 0.000 1.126 294 W HN 0.086 nan 8.180 nan 0.000 0.545 295 L N 1.073 122.394 121.223 0.164 0.000 2.551 295 L HA -0.182 4.158 4.340 0.000 0.000 0.230 295 L C 2.059 178.953 176.870 0.040 0.000 1.163 295 L CA 1.588 56.482 54.840 0.091 0.000 0.826 295 L CB -1.158 40.964 42.059 0.104 0.000 0.943 295 L HN 0.066 nan 8.230 nan 0.000 0.452 296 K N -1.317 119.109 120.400 0.042 0.000 2.444 296 K HA 0.144 4.465 4.320 0.000 0.000 0.193 296 K C 0.016 176.626 176.600 0.016 0.000 1.024 296 K CA 0.322 56.620 56.287 0.018 0.000 1.077 296 K CB -0.037 32.469 32.500 0.010 0.000 0.833 296 K HN 0.126 nan 8.250 nan 0.000 0.517 297 L N 2.511 123.750 121.223 0.026 0.000 2.301 297 L HA 0.314 4.654 4.340 0.000 0.000 0.278 297 L C -1.674 175.190 176.870 -0.010 0.000 1.022 297 L CA -2.219 52.629 54.840 0.013 0.000 0.854 297 L CB 1.356 43.431 42.059 0.027 0.000 1.226 297 L HN -0.088 nan 8.230 nan 0.000 0.429 298 P HA -0.200 nan 4.420 nan 0.000 0.218 298 P C 1.251 178.513 177.300 -0.063 0.000 1.146 298 P CA 1.428 64.503 63.100 -0.041 0.000 0.820 298 P CB 0.326 32.012 31.700 -0.024 0.000 0.778 299 L N -1.489 119.717 121.223 -0.027 0.000 2.418 299 L HA 0.044 4.384 4.340 0.000 0.000 0.218 299 L C 0.995 177.878 176.870 0.022 0.000 1.125 299 L CA 0.000 54.848 54.840 0.013 0.000 0.835 299 L CB -0.549 41.530 42.059 0.034 0.000 0.953 299 L HN -0.248 nan 8.230 nan 0.000 0.454 300 V N 1.088 120.985 119.914 -0.029 0.000 2.529 300 V HA -0.038 4.083 4.120 0.000 0.000 0.292 300 V C 0.109 176.133 176.094 -0.118 0.000 1.028 300 V CA 0.080 62.380 62.300 0.000 0.000 1.074 300 V CB 0.053 31.885 31.823 0.015 0.000 0.958 300 V HN 0.219 nan 8.190 nan 0.000 0.481 301 H N 5.106 124.220 119.070 0.073 0.000 2.685 301 H HA 0.311 4.867 4.556 0.000 0.000 0.307 301 H C -0.399 174.947 175.328 0.031 0.000 1.017 301 H CA -0.857 55.232 56.048 0.068 0.000 1.237 301 H CB 1.866 31.738 29.762 0.184 0.000 1.409 301 H HN 0.481 nan 8.280 nan 0.000 0.488 302 L N 5.054 126.266 121.223 -0.018 0.000 2.319 302 L HA 0.145 4.485 4.340 0.000 0.000 0.280 302 L C -0.276 176.366 176.870 -0.381 0.000 1.099 302 L CA -0.068 54.730 54.840 -0.069 0.000 0.828 302 L CB 0.153 42.223 42.059 0.019 0.000 1.150 302 L HN 0.573 nan 8.230 nan 0.000 0.442 303 H N 5.837 124.808 119.070 -0.166 0.000 2.887 303 H HA 0.116 4.672 4.556 0.000 0.000 0.300 303 H C -1.381 173.854 175.328 -0.155 0.000 1.038 303 H CA -0.460 55.449 56.048 -0.232 0.000 1.352 303 H CB 0.798 30.194 29.762 -0.611 0.000 1.473 303 H HN 0.700 nan 8.280 nan 0.000 0.503 304 W N 4.496 125.726 121.300 -0.116 0.000 2.335 304 W HA 0.073 4.733 4.660 -0.000 0.000 0.307 304 W C -0.699 175.871 176.519 0.085 0.000 1.117 304 W CA -0.602 56.671 57.345 -0.119 0.000 1.228 304 W CB 0.811 30.224 29.460 -0.078 0.000 1.240 304 W HN 0.619 nan 8.180 nan 0.000 0.468 305 Y N 2.496 122.481 120.300 -0.525 0.000 2.583 305 Y HA -0.072 4.478 4.550 0.000 0.000 0.293 305 Y C 1.060 176.752 175.900 -0.346 0.000 1.157 305 Y CA 0.169 58.045 58.100 -0.373 0.000 1.315 305 Y CB -0.764 37.488 38.460 -0.347 0.000 1.021 305 Y HN 0.406 nan 8.280 nan 0.000 0.536 306 D N 0.547 120.716 120.400 -0.385 0.000 2.699 306 D HA -0.199 4.441 4.640 0.000 0.000 0.239 306 D C -0.335 175.948 176.300 -0.028 0.000 1.136 306 D CA 0.738 54.734 54.000 -0.007 0.000 0.668 306 D CB -0.863 40.016 40.800 0.131 0.000 1.060 306 D HN 0.331 nan 8.370 nan 0.000 0.429 307 K N -0.052 120.261 120.400 -0.145 0.000 2.281 307 K HA 0.461 4.781 4.320 0.000 0.000 0.242 307 K C 0.061 176.668 176.600 0.013 0.000 0.971 307 K CA -0.895 55.360 56.287 -0.053 0.000 0.834 307 K CB 1.437 33.888 32.500 -0.083 0.000 1.181 307 K HN 0.005 nan 8.250 nan 0.000 0.435 308 E N 1.113 121.337 120.200 0.040 0.000 2.376 308 E HA 0.041 4.391 4.350 0.000 0.000 0.266 308 E C -0.917 175.725 176.600 0.070 0.000 1.009 308 E CA -0.235 56.208 56.400 0.071 0.000 0.902 308 E CB 0.657 30.390 29.700 0.055 0.000 0.972 308 E HN 0.158 nan 8.360 nan 0.000 0.439 309 V N 6.185 126.168 119.914 0.116 0.000 2.521 309 V HA 0.227 4.348 4.120 0.000 0.000 0.286 309 V C 0.431 176.578 176.094 0.088 0.000 1.034 309 V CA 0.392 62.765 62.300 0.122 0.000 1.045 309 V CB 0.444 32.386 31.823 0.198 0.000 0.974 309 V HN 0.679 nan 8.190 nan 0.000 0.480 310 R N 4.500 125.044 120.500 0.073 0.000 2.740 310 R HA 0.448 4.788 4.340 0.000 0.000 0.273 310 R C -2.938 173.397 176.300 0.059 0.000 0.998 310 R CA -2.031 54.104 56.100 0.060 0.000 0.900 310 R CB 2.320 32.647 30.300 0.045 0.000 1.223 310 R HN 0.357 nan 8.270 nan 0.000 0.466 311 P HA -0.013 nan 4.420 nan 0.000 0.265 311 P C 0.589 177.910 177.300 0.035 0.000 1.193 311 P CA 0.797 63.925 63.100 0.047 0.000 0.765 311 P CB 0.468 32.192 31.700 0.039 0.000 0.823 312 G N 1.887 110.705 108.800 0.029 0.000 2.175 312 G HA2 -0.323 3.638 3.960 0.000 0.000 0.265 312 G HA3 -0.323 3.638 3.960 0.000 0.000 0.265 312 G C 0.348 175.261 174.900 0.021 0.000 0.979 312 G CA 0.078 45.188 45.100 0.015 0.000 0.663 312 G HN 0.709 nan 8.290 nan 0.000 0.533 313 R N 0.385 120.905 120.500 0.034 0.000 2.349 313 R HA 0.500 4.840 4.340 0.000 0.000 0.299 313 R C 0.177 176.501 176.300 0.040 0.000 1.027 313 R CA -0.627 55.493 56.100 0.033 0.000 0.958 313 R CB 0.402 30.720 30.300 0.031 0.000 1.047 313 R HN 0.146 nan 8.270 nan 0.000 0.468 314 K N 3.536 123.971 120.400 0.058 0.000 2.262 314 K HA 0.069 4.390 4.320 0.000 0.000 0.288 314 K C 0.875 177.526 176.600 0.086 0.000 1.090 314 K CA -0.258 56.091 56.287 0.103 0.000 0.918 314 K CB 0.992 33.603 32.500 0.186 0.000 1.139 314 K HN 0.492 nan 8.250 nan 0.000 0.462 315 V N -0.244 119.581 119.914 -0.148 0.000 3.471 315 V HA 0.360 4.480 4.120 0.000 0.000 0.258 315 V C 0.742 176.051 176.094 -1.308 0.000 1.192 315 V CA 0.510 62.486 62.300 -0.541 0.000 1.116 315 V CB 0.143 31.672 31.823 -0.491 0.000 0.792 315 V HN 0.730 nan 8.190 nan 0.000 0.459 316 G N -0.139 107.929 108.800 -1.220 0.000 2.340 316 G HA2 0.557 4.517 3.960 0.000 0.000 0.299 316 G HA3 0.557 4.517 3.960 0.000 0.000 0.299 316 G C -1.453 173.188 174.900 -0.433 0.000 1.291 316 G CA -0.110 44.165 45.100 -1.375 0.000 0.841 316 G HN 1.074 nan 8.290 nan 0.000 0.500 317 H N -1.673 117.286 119.070 -0.184 0.000 3.037 317 H HA 0.590 5.146 4.556 0.000 0.000 0.336 317 H C -1.959 173.444 175.328 0.125 0.000 1.323 317 H CA -0.963 55.106 56.048 0.036 0.000 1.159 317 H CB 1.093 30.951 29.762 0.161 0.000 1.882 317 H HN 0.593 nan 8.280 nan 0.000 0.535 318 L N 2.321 123.657 121.223 0.190 0.000 2.333 318 L HA 0.384 4.724 4.340 0.000 0.000 0.280 318 L C -0.562 176.472 176.870 0.274 0.000 1.004 318 L CA -0.869 54.053 54.840 0.137 0.000 0.820 318 L CB 1.609 43.634 42.059 -0.057 0.000 1.247 318 L HN 0.462 nan 8.230 nan 0.000 0.416 319 N N 3.915 122.822 118.700 0.345 0.000 2.400 319 N HA 0.686 5.426 4.740 0.000 0.000 0.288 319 N C -1.093 174.587 175.510 0.284 0.000 1.024 319 N CA -0.429 52.810 53.050 0.316 0.000 0.894 319 N CB 2.444 41.108 38.487 0.294 0.000 1.173 319 N HN 0.330 nan 8.380 nan 0.000 0.487 320 L N 0.769 122.105 121.223 0.187 0.000 2.376 320 L HA 0.540 4.880 4.340 0.000 0.000 0.275 320 L C 0.276 177.189 176.870 0.072 0.000 0.987 320 L CA -0.386 54.536 54.840 0.137 0.000 0.828 320 L CB 1.990 44.080 42.059 0.052 0.000 1.249 320 L HN 0.402 nan 8.230 nan 0.000 0.409 321 T N 0.851 115.457 114.554 0.087 0.000 2.933 321 T HA 0.756 5.106 4.350 0.000 0.000 0.305 321 T C -1.929 172.790 174.700 0.031 0.000 1.092 321 T CA -0.264 61.855 62.100 0.032 0.000 1.008 321 T CB 1.616 70.511 68.868 0.046 0.000 1.102 321 T HN 0.716 nan 8.240 nan 0.000 0.469 322 D N 0.243 120.636 120.400 -0.011 0.000 2.742 322 D HA 0.307 4.947 4.640 0.000 0.000 0.262 322 D C 0.553 176.845 176.300 -0.014 0.000 1.240 322 D CA 0.078 54.075 54.000 -0.005 0.000 0.752 322 D CB 1.027 41.811 40.800 -0.027 0.000 1.290 322 D HN 0.417 nan 8.370 nan 0.000 0.420 323 S N 0.163 115.866 115.700 0.004 0.000 2.517 323 S HA 0.163 4.633 4.470 0.000 0.000 0.214 323 S C 0.364 174.967 174.600 0.005 0.000 0.991 323 S CA -0.111 58.099 58.200 0.016 0.000 0.906 323 S CB 0.127 63.345 63.200 0.030 0.000 0.789 323 S HN 0.376 nan 8.310 nan 0.000 0.513 324 D N 2.776 123.166 120.400 -0.016 0.000 2.467 324 D HA 0.275 4.915 4.640 0.000 0.000 0.220 324 D C 1.402 177.662 176.300 -0.067 0.000 1.103 324 D CA 0.071 54.057 54.000 -0.024 0.000 0.886 324 D CB 1.437 42.227 40.800 -0.017 0.000 1.025 324 D HN 0.210 nan 8.370 nan 0.000 0.514 325 T N 0.183 114.699 114.554 -0.063 0.000 2.849 325 T HA -0.168 4.182 4.350 0.000 0.000 0.270 325 T C 1.758 176.368 174.700 -0.148 0.000 1.066 325 T CA 1.267 63.284 62.100 -0.137 0.000 1.130 325 T CB -0.087 68.780 68.868 -0.002 0.000 0.864 325 T HN 0.163 nan 8.240 nan 0.000 0.481 326 S N 0.656 116.314 115.700 -0.071 0.000 2.368 326 S HA 0.049 4.519 4.470 0.000 0.000 0.224 326 S C 2.195 176.756 174.600 -0.066 0.000 1.029 326 S CA 0.635 58.804 58.200 -0.051 0.000 0.988 326 S CB -0.323 62.863 63.200 -0.023 0.000 0.838 326 S HN 0.477 nan 8.310 nan 0.000 0.462 327 R N 0.329 120.787 120.500 -0.070 0.000 2.075 327 R HA 0.004 4.345 4.340 0.000 0.000 0.232 327 R C 2.232 178.474 176.300 -0.097 0.000 1.126 327 R CA 0.922 56.984 56.100 -0.064 0.000 0.963 327 R CB -0.491 29.779 30.300 -0.049 0.000 0.858 327 R HN 0.279 nan 8.270 nan 0.000 0.435 328 L N 0.682 121.807 121.223 -0.164 0.000 2.012 328 L HA -0.192 4.149 4.340 0.000 0.000 0.210 328 L C 2.504 179.217 176.870 -0.261 0.000 1.073 328 L CA 2.444 57.129 54.840 -0.258 0.000 0.748 328 L CB -0.860 40.929 42.059 -0.450 0.000 0.891 328 L HN 0.339 nan 8.230 nan 0.000 0.431 329 T N -3.520 110.886 114.554 -0.245 0.000 2.770 329 T HA -0.091 4.260 4.350 0.000 0.000 0.263 329 T C 1.954 176.615 174.700 -0.064 0.000 1.039 329 T CA 0.944 62.960 62.100 -0.139 0.000 1.142 329 T CB -0.950 67.875 68.868 -0.072 0.000 0.868 329 T HN 0.293 nan 8.240 nan 0.000 0.435 330 A N 1.700 124.487 122.820 -0.056 0.000 1.997 330 A HA -0.141 4.179 4.320 0.000 0.000 0.221 330 A C 2.569 180.140 177.584 -0.023 0.000 1.172 330 A CA 2.447 54.467 52.037 -0.029 0.000 0.645 330 A CB -1.618 17.366 19.000 -0.027 0.000 0.813 330 A HN 0.620 nan 8.150 nan 0.000 0.454 331 T N 0.129 114.659 114.554 -0.039 0.000 2.812 331 T HA 0.003 4.353 4.350 0.000 0.000 0.264 331 T C 1.813 176.503 174.700 -0.016 0.000 1.042 331 T CA 1.220 63.305 62.100 -0.026 0.000 1.140 331 T CB -0.324 68.523 68.868 -0.035 0.000 0.870 331 T HN 0.390 nan 8.240 nan 0.000 0.445 332 L N 0.764 121.973 121.223 -0.024 0.000 2.012 332 L HA -0.154 4.186 4.340 0.000 0.000 0.210 332 L C 2.792 179.674 176.870 0.019 0.000 1.073 332 L CA 1.666 56.508 54.840 0.002 0.000 0.748 332 L CB -0.535 41.535 42.059 0.018 0.000 0.891 332 L HN 0.302 nan 8.230 nan 0.000 0.431 333 E N 0.422 120.633 120.200 0.018 0.000 2.085 333 E HA -0.243 4.108 4.350 0.000 0.000 0.194 333 E C 2.071 178.687 176.600 0.027 0.000 0.994 333 E CA 1.506 57.922 56.400 0.028 0.000 0.801 333 E CB -0.079 29.634 29.700 0.022 0.000 0.743 333 E HN 0.420 nan 8.360 nan 0.000 0.453 334 A N 0.096 122.928 122.820 0.020 0.000 2.119 334 A HA -0.031 4.289 4.320 0.000 0.000 0.217 334 A C 2.067 179.673 177.584 0.037 0.000 1.153 334 A CA 0.646 52.699 52.037 0.026 0.000 0.692 334 A CB -0.351 18.661 19.000 0.020 0.000 0.799 334 A HN 0.356 nan 8.150 nan 0.000 0.458 335 L N -1.188 120.049 121.223 0.025 0.000 2.209 335 L HA -0.043 4.297 4.340 0.000 0.000 0.207 335 L C 2.227 179.111 176.870 0.025 0.000 1.094 335 L CA 0.413 55.261 54.840 0.013 0.000 0.790 335 L CB -0.316 41.714 42.059 -0.048 0.000 0.932 335 L HN 0.334 nan 8.230 nan 0.000 0.447 336 I N 0.741 121.333 120.570 0.038 0.000 2.068 336 I HA -0.276 3.894 4.170 0.000 0.000 0.238 336 I C -0.534 175.623 176.117 0.067 0.000 1.046 336 I CA 2.054 63.389 61.300 0.057 0.000 1.306 336 I CB -1.307 36.731 38.000 0.064 0.000 1.023 336 I HN 0.198 nan 8.210 nan 0.000 0.399 337 P HA -0.134 nan 4.420 nan 0.000 0.226 337 P C 1.302 178.649 177.300 0.078 0.000 1.146 337 P CA 1.479 64.617 63.100 0.063 0.000 0.773 337 P CB -0.168 31.562 31.700 0.049 0.000 0.772 338 L N -2.727 118.563 121.223 0.112 0.000 2.640 338 L HA 0.231 4.571 4.340 0.000 0.000 0.230 338 L C 0.996 178.039 176.870 0.289 0.000 1.123 338 L CA -0.049 54.905 54.840 0.190 0.000 0.900 338 L CB -0.071 42.174 42.059 0.310 0.000 1.146 338 L HN -0.064 nan 8.230 nan 0.000 0.484 339 L N 0.121 121.426 121.223 0.136 0.000 2.319 339 L HA 0.523 4.863 4.340 0.000 0.000 0.267 339 L C -2.278 174.640 176.870 0.080 0.000 1.011 339 L CA -2.001 52.846 54.840 0.012 0.000 0.818 339 L CB 1.988 43.905 42.059 -0.236 0.000 1.316 339 L HN -0.251 nan 8.230 nan 0.000 0.432 340 P HA 0.117 nan 4.420 nan 0.000 0.271 340 P C -2.157 175.333 177.300 0.316 0.000 1.216 340 P CA -1.336 61.916 63.100 0.254 0.000 0.776 340 P CB 0.043 31.950 31.700 0.345 0.000 0.881 341 P HA -0.259 nan 4.420 nan 0.000 0.218 341 P C 1.094 178.475 177.300 0.134 0.000 1.154 341 P CA 1.846 65.031 63.100 0.141 0.000 0.872 341 P CB -0.319 31.438 31.700 0.095 0.000 0.790 342 E N -1.567 118.701 120.200 0.113 0.000 2.273 342 E HA -0.225 4.125 4.350 0.000 0.000 0.198 342 E C 1.656 178.214 176.600 -0.070 0.000 1.002 342 E CA 1.076 57.473 56.400 -0.005 0.000 0.828 342 E CB -1.081 28.567 29.700 -0.086 0.000 0.747 342 E HN 0.373 nan 8.360 nan 0.000 0.491 343 Y N 0.904 121.222 120.300 0.029 0.000 2.457 343 Y HA 0.075 4.625 4.550 0.000 0.000 0.292 343 Y C 2.579 178.499 175.900 0.033 0.000 1.125 343 Y CA 0.459 58.571 58.100 0.021 0.000 1.254 343 Y CB -0.212 38.258 38.460 0.017 0.000 1.012 343 Y HN 0.110 nan 8.280 nan 0.000 0.555 344 A N 0.456 123.386 122.820 0.183 0.000 1.869 344 A HA -0.333 3.987 4.320 0.000 0.000 0.218 344 A C 2.460 180.115 177.584 0.117 0.000 1.203 344 A CA 2.864 54.981 52.037 0.133 0.000 0.638 344 A CB -1.355 17.707 19.000 0.104 0.000 0.831 344 A HN 0.508 nan 8.150 nan 0.000 0.450 345 S N -0.322 115.429 115.700 0.086 0.000 2.359 345 S HA -0.111 4.359 4.470 0.000 0.000 0.223 345 S C 2.090 176.765 174.600 0.125 0.000 1.039 345 S CA 1.628 59.878 58.200 0.083 0.000 1.042 345 S CB -1.572 61.649 63.200 0.035 0.000 0.915 345 S HN 0.931 nan 8.310 nan 0.000 0.439 346 G N 1.190 110.040 108.800 0.083 0.000 2.422 346 G HA2 -0.090 3.870 3.960 0.000 0.000 0.218 346 G HA3 -0.090 3.870 3.960 0.000 0.000 0.218 346 G C 1.427 176.492 174.900 0.275 0.000 1.146 346 G CA 0.946 46.116 45.100 0.116 0.000 0.769 346 G HN 0.470 nan 8.290 nan 0.000 0.547 347 V N 1.141 121.183 119.914 0.213 0.000 2.244 347 V HA -0.132 3.988 4.120 0.000 0.000 0.244 347 V C 2.755 178.975 176.094 0.209 0.000 1.042 347 V CA 1.538 63.960 62.300 0.202 0.000 1.006 347 V CB -0.444 31.466 31.823 0.145 0.000 0.641 347 V HN 0.376 nan 8.190 nan 0.000 0.446 348 I N -1.070 119.610 120.570 0.184 0.000 2.315 348 I HA -0.319 3.851 4.170 0.000 0.000 0.251 348 I C 2.263 178.498 176.117 0.197 0.000 1.125 348 I CA 2.195 63.591 61.300 0.159 0.000 1.392 348 I CB -0.305 37.777 38.000 0.137 0.000 1.065 348 I HN 0.566 nan 8.210 nan 0.000 0.424 349 W N 1.627 122.957 121.300 0.050 0.000 2.353 349 W HA -0.258 4.401 4.660 -0.001 0.000 0.319 349 W C 2.635 179.177 176.519 0.037 0.000 1.207 349 W CA 2.105 59.472 57.345 0.038 0.000 1.291 349 W CB -0.404 29.077 29.460 0.035 0.000 1.159 349 W HN 0.085 nan 8.180 nan 0.000 0.478 350 A N 0.180 123.123 122.820 0.205 0.000 1.917 350 A HA -0.328 3.992 4.320 0.000 0.000 0.219 350 A C 1.937 179.542 177.584 0.035 0.000 1.182 350 A CA 2.165 54.192 52.037 -0.016 0.000 0.633 350 A CB -1.159 17.987 19.000 0.244 0.000 0.819 350 A HN 0.588 nan 8.150 nan 0.000 0.448 351 Q N -0.150 119.738 119.800 0.148 0.000 2.181 351 Q HA -0.169 4.171 4.340 0.000 0.000 0.205 351 Q C 2.338 178.402 176.000 0.106 0.000 0.980 351 Q CA 1.787 57.718 55.803 0.212 0.000 0.862 351 Q CB -0.203 28.614 28.738 0.130 0.000 0.905 351 Q HN 0.897 nan 8.270 nan 0.000 0.429 352 S N -0.099 115.561 115.700 -0.067 0.000 2.447 352 S HA -0.059 4.411 4.470 0.000 0.000 0.233 352 S C 1.543 175.973 174.600 -0.283 0.000 1.006 352 S CA 0.520 58.632 58.200 -0.147 0.000 0.957 352 S CB 0.042 63.138 63.200 -0.174 0.000 0.773 352 S HN 0.174 nan 8.310 nan 0.000 0.507 353 K N 0.462 120.574 120.400 -0.480 0.000 2.365 353 K HA 0.129 4.450 4.320 0.000 0.000 0.199 353 K C 1.186 177.397 176.600 -0.649 0.000 1.045 353 K CA 0.600 56.486 56.287 -0.668 0.000 0.962 353 K CB -0.419 31.560 32.500 -0.868 0.000 0.759 353 K HN 0.537 nan 8.250 nan 0.000 0.469 354 F N 0.921 120.874 119.950 0.005 0.000 2.335 354 F HA 0.084 4.611 4.527 0.000 0.000 0.296 354 F C 1.865 177.653 175.800 -0.020 0.000 1.091 354 F CA 0.230 58.265 58.000 0.058 0.000 1.399 354 F CB -0.768 38.267 39.000 0.059 0.000 1.067 354 F HN -0.067 nan 8.300 nan 0.000 0.520 355 G N 0.000 108.847 108.800 0.078 0.000 5.446 355 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 355 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 355 G CA 0.000 45.113 45.100 0.022 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925