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 2a68_1_P DATA FIRST_RESID 74 DATA SEQUENCE KISTSDPVRQ YLHEIGQVPL LTLEEEVELA RKVEEGMEAI KKLSEITGLD DATA SEQUENCE PDLIREVVRA KILGSARVRH IPGLKETLDP KTVEEIDQKL KSLPKEHKRY DATA SEQUENCE LHIAREGEAA RQHLIEANLR LVVSIAKKYT GRGLSFLDLI QEGNQGLIRA DATA SEQUENCE VEKFEYKRRF KFSTYATWWI RQAINRAIAD QARTIRIPVH MVETINKLSR DATA SEQUENCE TARQLQQELG REPTYEEIAE AMGPGWDAKR VEETLKIAQE PVSLETPIGD DATA SEQUENCE EKDSFYGDFI PDEHLPSPVD AATQSLLSEE LEKALSKLSE REAMVLKLRK DATA SEQUENCE GLIDGXXXXX EEVGAFFGVT RERIRQIENK ALRKLKYHES RTRKLRDFLD 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 74 K HA 0.000 nan 4.320 nan 0.000 0.191 74 K C 0.000 176.595 176.600 -0.009 0.000 0.988 74 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 74 K CB 0.000 32.494 32.500 -0.009 0.000 1.064 75 I N 1.854 122.420 120.570 -0.007 0.000 2.336 75 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 75 I C 1.469 177.579 176.117 -0.012 0.000 0.991 75 I CA 0.009 61.308 61.300 -0.002 0.000 1.227 75 I CB 1.885 39.891 38.000 0.009 0.000 1.366 75 I HN 0.452 nan 8.210 nan 0.000 0.466 76 S N 3.055 118.748 115.700 -0.012 0.000 2.399 76 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 76 S C 1.741 176.318 174.600 -0.038 0.000 1.022 76 S CA 2.134 60.317 58.200 -0.028 0.000 0.983 76 S CB -0.027 63.160 63.200 -0.021 0.000 0.803 76 S HN 0.816 nan 8.310 nan 0.000 0.480 77 T N 1.645 116.190 114.554 -0.015 0.000 2.701 77 T HA -0.107 4.243 4.350 -0.000 0.000 0.263 77 T C 2.272 176.948 174.700 -0.040 0.000 1.040 77 T CA 1.657 63.738 62.100 -0.033 0.000 1.147 77 T CB -0.850 68.040 68.868 0.037 0.000 0.865 77 T HN 0.712 nan 8.240 nan 0.000 0.426 78 S N 2.190 117.883 115.700 -0.012 0.000 2.368 78 S HA -0.292 4.178 4.470 -0.000 0.000 0.226 78 S C 1.871 176.433 174.600 -0.064 0.000 1.044 78 S CA 2.047 60.239 58.200 -0.014 0.000 1.062 78 S CB -0.939 62.261 63.200 -0.001 0.000 0.931 78 S HN 0.465 nan 8.310 nan 0.000 0.440 79 D N 2.670 123.018 120.400 -0.088 0.000 2.087 79 D HA -0.013 4.627 4.640 -0.000 0.000 0.192 79 D C -0.612 175.555 176.300 -0.222 0.000 0.993 79 D CA 1.489 55.403 54.000 -0.143 0.000 0.828 79 D CB -1.145 39.583 40.800 -0.119 0.000 0.968 79 D HN 0.331 nan 8.370 nan 0.000 0.448 80 P HA -0.111 nan 4.420 nan 0.000 0.215 80 P C 1.819 178.908 177.300 -0.352 0.000 1.157 80 P CA 0.921 63.765 63.100 -0.426 0.000 0.868 80 P CB -0.021 31.503 31.700 -0.292 0.000 0.788 81 V N 0.134 120.025 119.914 -0.039 0.000 2.231 81 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 81 V C 2.499 178.629 176.094 0.061 0.000 1.058 81 V CA 2.197 64.570 62.300 0.122 0.000 1.022 81 V CB -1.130 30.735 31.823 0.070 0.000 0.640 81 V HN 0.050 nan 8.190 nan 0.000 0.445 82 R N -0.761 119.686 120.500 -0.087 0.000 2.091 82 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 82 R C 2.532 178.548 176.300 -0.474 0.000 1.136 82 R CA 1.533 57.470 56.100 -0.272 0.000 0.959 82 R CB -0.485 29.574 30.300 -0.401 0.000 0.856 82 R HN 0.479 nan 8.270 nan 0.000 0.437 83 Q N -0.144 119.405 119.800 -0.419 0.000 2.014 83 Q HA -0.218 4.122 4.340 -0.000 0.000 0.207 83 Q C 2.039 177.908 176.000 -0.219 0.000 0.993 83 Q CA 2.132 57.696 55.803 -0.398 0.000 0.850 83 Q CB -0.213 28.214 28.738 -0.519 0.000 0.916 83 Q HN 0.490 nan 8.270 nan 0.000 0.417 84 Y N -0.382 119.887 120.300 -0.052 0.000 2.314 84 Y HA -0.004 4.546 4.550 -0.000 0.000 0.294 84 Y C 2.336 178.262 175.900 0.043 0.000 1.119 84 Y CA 0.154 58.251 58.100 -0.004 0.000 1.179 84 Y CB -0.769 37.683 38.460 -0.013 0.000 1.025 84 Y HN -0.030 nan 8.280 nan 0.000 0.541 85 L N -0.071 121.332 121.223 0.300 0.000 2.079 85 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 85 L C 2.193 179.214 176.870 0.252 0.000 1.081 85 L CA 2.026 57.008 54.840 0.236 0.000 0.752 85 L CB -0.970 41.226 42.059 0.227 0.000 0.896 85 L HN 0.360 nan 8.230 nan 0.000 0.433 86 H N -0.210 118.896 119.070 0.060 0.000 2.326 86 H HA -0.137 4.419 4.556 -0.000 0.000 0.301 86 H C 2.232 177.584 175.328 0.040 0.000 1.081 86 H CA 1.282 57.351 56.048 0.035 0.000 1.334 86 H CB -0.053 29.716 29.762 0.011 0.000 1.385 86 H HN 0.228 nan 8.280 nan 0.000 0.504 87 E N -0.086 120.225 120.200 0.185 0.000 2.106 87 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 87 E C 2.104 178.769 176.600 0.107 0.000 0.984 87 E CA 0.680 57.154 56.400 0.123 0.000 0.806 87 E CB -0.106 29.658 29.700 0.108 0.000 0.750 87 E HN 0.425 nan 8.360 nan 0.000 0.458 88 I N -0.289 120.352 120.570 0.118 0.000 2.353 88 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 88 I C 2.344 178.500 176.117 0.064 0.000 1.119 88 I CA 1.102 62.454 61.300 0.088 0.000 1.417 88 I CB -0.421 37.631 38.000 0.087 0.000 1.078 88 I HN 0.153 nan 8.210 nan 0.000 0.421 89 G N 0.115 108.954 108.800 0.065 0.000 2.432 89 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 89 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 89 G C 1.624 176.535 174.900 0.017 0.000 1.135 89 G CA 0.475 45.592 45.100 0.029 0.000 0.767 89 G HN 0.366 nan 8.290 nan 0.000 0.550 90 Q N -0.565 119.254 119.800 0.032 0.000 2.302 90 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 90 Q C 0.461 176.478 176.000 0.029 0.000 0.936 90 Q CA 0.644 56.463 55.803 0.026 0.000 0.886 90 Q CB 0.939 29.698 28.738 0.036 0.000 0.986 90 Q HN 0.444 nan 8.270 nan 0.000 0.487 91 V N 0.723 120.662 119.914 0.043 0.000 2.546 91 V HA 0.294 4.414 4.120 -0.000 0.000 0.260 91 V C -2.693 173.422 176.094 0.035 0.000 0.933 91 V CA -1.711 60.611 62.300 0.037 0.000 0.994 91 V CB 0.490 32.350 31.823 0.063 0.000 1.160 91 V HN -0.035 nan 8.190 nan 0.000 0.523 92 P HA 0.433 nan 4.420 nan 0.000 0.276 92 P C -0.360 176.946 177.300 0.010 0.000 1.252 92 P CA -0.299 62.816 63.100 0.025 0.000 0.802 92 P CB 1.111 32.825 31.700 0.023 0.000 1.035 93 L N 1.361 122.590 121.223 0.008 0.000 2.292 93 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 93 L C 0.677 177.545 176.870 -0.005 0.000 1.065 93 L CA -1.092 53.742 54.840 -0.010 0.000 0.806 93 L CB 0.539 42.586 42.059 -0.021 0.000 1.175 93 L HN 0.272 nan 8.230 nan 0.000 0.431 94 L N 2.496 123.711 121.223 -0.013 0.000 2.506 94 L HA -0.041 4.299 4.340 -0.000 0.000 0.281 94 L C 1.587 178.459 176.870 0.003 0.000 1.228 94 L CA 0.933 55.770 54.840 -0.005 0.000 0.850 94 L CB 0.880 42.931 42.059 -0.012 0.000 1.110 94 L HN 0.697 nan 8.230 nan 0.000 0.496 95 T N 3.852 118.414 114.554 0.013 0.000 2.565 95 T HA -0.256 4.094 4.350 -0.000 0.000 0.265 95 T C 1.435 176.151 174.700 0.026 0.000 1.082 95 T CA 2.670 64.785 62.100 0.024 0.000 1.173 95 T CB -0.348 68.537 68.868 0.028 0.000 0.864 95 T HN 0.606 nan 8.240 nan 0.000 0.425 96 L N -0.691 120.545 121.223 0.021 0.000 2.379 96 L HA 0.330 4.670 4.340 -0.000 0.000 0.190 96 L C 2.556 179.430 176.870 0.006 0.000 1.111 96 L CA 0.048 54.902 54.840 0.024 0.000 0.820 96 L CB -0.843 41.232 42.059 0.027 0.000 1.046 96 L HN -0.143 nan 8.230 nan 0.000 0.485 97 E N 1.822 122.018 120.200 -0.006 0.000 2.012 97 E HA -0.273 4.077 4.350 -0.000 0.000 0.211 97 E C 2.015 178.588 176.600 -0.045 0.000 1.029 97 E CA 2.152 58.538 56.400 -0.024 0.000 0.867 97 E CB -0.675 29.010 29.700 -0.025 0.000 0.790 97 E HN 0.571 nan 8.360 nan 0.000 0.482 98 E N 0.743 120.915 120.200 -0.048 0.000 2.097 98 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 98 E C 2.063 178.614 176.600 -0.081 0.000 1.000 98 E CA 1.140 57.498 56.400 -0.069 0.000 0.804 98 E CB -0.144 29.518 29.700 -0.063 0.000 0.740 98 E HN 0.376 nan 8.360 nan 0.000 0.454 99 E N 0.518 120.681 120.200 -0.060 0.000 2.152 99 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 99 E C 2.332 178.895 176.600 -0.061 0.000 0.983 99 E CA 0.671 57.028 56.400 -0.073 0.000 0.818 99 E CB 0.016 29.695 29.700 -0.034 0.000 0.758 99 E HN 0.105 nan 8.360 nan 0.000 0.467 100 V N 1.645 121.531 119.914 -0.046 0.000 2.261 100 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 100 V C 2.427 178.398 176.094 -0.205 0.000 1.047 100 V CA 2.024 64.276 62.300 -0.080 0.000 1.015 100 V CB -0.377 31.425 31.823 -0.036 0.000 0.642 100 V HN 0.168 nan 8.190 nan 0.000 0.446 101 E N 0.445 120.551 120.200 -0.157 0.000 2.035 101 E HA -0.245 4.105 4.350 -0.000 0.000 0.204 101 E C 2.015 178.494 176.600 -0.202 0.000 1.025 101 E CA 2.016 58.313 56.400 -0.173 0.000 0.835 101 E CB -0.683 28.942 29.700 -0.124 0.000 0.764 101 E HN 0.520 nan 8.360 nan 0.000 0.457 102 L N -0.024 121.098 121.223 -0.168 0.000 1.990 102 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 102 L C 2.579 179.333 176.870 -0.192 0.000 1.072 102 L CA 1.608 56.354 54.840 -0.158 0.000 0.755 102 L CB -0.822 41.150 42.059 -0.145 0.000 0.889 102 L HN 0.220 nan 8.230 nan 0.000 0.432 103 A N -0.044 122.647 122.820 -0.215 0.000 1.859 103 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 103 A C 2.450 179.778 177.584 -0.428 0.000 1.198 103 A CA 2.259 54.160 52.037 -0.225 0.000 0.629 103 A CB -0.765 18.159 19.000 -0.128 0.000 0.830 103 A HN 0.356 nan 8.150 nan 0.000 0.446 104 R N -0.253 119.799 120.500 -0.747 0.000 2.103 104 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 104 R C 2.208 178.303 176.300 -0.342 0.000 1.142 104 R CA 2.047 57.634 56.100 -0.855 0.000 0.960 104 R CB -0.235 29.643 30.300 -0.703 0.000 0.858 104 R HN 0.604 nan 8.270 nan 0.000 0.439 105 K N -0.432 119.823 120.400 -0.243 0.000 2.097 105 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 105 K C 2.036 178.579 176.600 -0.095 0.000 1.050 105 K CA 1.377 57.581 56.287 -0.138 0.000 0.938 105 K CB -0.006 32.427 32.500 -0.111 0.000 0.718 105 K HN 0.045 nan 8.250 nan 0.000 0.442 106 V N 1.974 121.828 119.914 -0.099 0.000 2.261 106 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 106 V C 2.238 178.317 176.094 -0.025 0.000 1.047 106 V CA 1.758 64.028 62.300 -0.050 0.000 1.015 106 V CB -0.428 31.369 31.823 -0.043 0.000 0.642 106 V HN 0.326 nan 8.190 nan 0.000 0.446 107 E N -0.115 120.071 120.200 -0.024 0.000 2.038 107 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 107 E C 2.290 178.900 176.600 0.017 0.000 1.000 107 E CA 1.618 58.033 56.400 0.025 0.000 0.803 107 E CB -0.135 29.637 29.700 0.121 0.000 0.750 107 E HN 0.610 nan 8.360 nan 0.000 0.448 108 E N -0.260 119.935 120.200 -0.008 0.000 2.171 108 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 108 E C 1.853 178.442 176.600 -0.018 0.000 0.997 108 E CA 1.136 57.519 56.400 -0.027 0.000 0.810 108 E CB -0.398 29.262 29.700 -0.068 0.000 0.738 108 E HN 0.360 nan 8.360 nan 0.000 0.467 109 G N 0.828 109.621 108.800 -0.011 0.000 2.433 109 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.216 109 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.216 109 G C 1.503 176.422 174.900 0.032 0.000 1.186 109 G CA 1.038 46.142 45.100 0.008 0.000 0.779 109 G HN 0.276 nan 8.290 nan 0.000 0.543 110 M N 0.367 119.985 119.600 0.029 0.000 2.115 110 M HA -0.139 4.341 4.480 -0.000 0.000 0.258 110 M C 2.428 178.763 176.300 0.058 0.000 1.071 110 M CA 2.384 57.706 55.300 0.038 0.000 1.100 110 M CB -0.497 32.121 32.600 0.030 0.000 1.292 110 M HN 0.296 nan 8.290 nan 0.000 0.415 111 E N 0.097 120.335 120.200 0.063 0.000 2.171 111 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 111 E C 1.934 178.652 176.600 0.197 0.000 0.997 111 E CA 1.341 57.802 56.400 0.102 0.000 0.810 111 E CB -0.201 29.549 29.700 0.083 0.000 0.738 111 E HN 0.711 nan 8.360 nan 0.000 0.467 112 A N 1.184 124.110 122.820 0.177 0.000 1.840 112 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 112 A C 2.158 179.881 177.584 0.232 0.000 1.198 112 A CA 0.950 53.182 52.037 0.325 0.000 0.608 112 A CB -0.606 18.480 19.000 0.143 0.000 0.839 112 A HN 0.121 nan 8.150 nan 0.000 0.443 113 I N -0.152 120.488 120.570 0.117 0.000 2.151 113 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 113 I C 2.513 178.654 176.117 0.040 0.000 1.080 113 I CA 1.880 63.218 61.300 0.064 0.000 1.339 113 I CB -0.382 37.644 38.000 0.043 0.000 1.039 113 I HN 0.317 nan 8.210 nan 0.000 0.409 114 K N 0.641 121.069 120.400 0.046 0.000 2.026 114 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 114 K C 2.150 178.739 176.600 -0.017 0.000 1.048 114 K CA 1.132 57.430 56.287 0.018 0.000 0.929 114 K CB -0.139 32.379 32.500 0.029 0.000 0.713 114 K HN 0.147 nan 8.250 nan 0.000 0.439 115 K N 1.051 121.445 120.400 -0.010 0.000 2.280 115 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 115 K C 2.075 178.539 176.600 -0.227 0.000 1.047 115 K CA 0.854 57.050 56.287 -0.153 0.000 0.942 115 K CB -0.149 32.191 32.500 -0.267 0.000 0.739 115 K HN 0.209 nan 8.250 nan 0.000 0.457 116 L N 0.607 121.763 121.223 -0.111 0.000 2.072 116 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 116 L C 2.218 179.025 176.870 -0.106 0.000 1.079 116 L CA 0.907 55.681 54.840 -0.110 0.000 0.752 116 L CB -0.268 41.778 42.059 -0.022 0.000 0.906 116 L HN 0.075 nan 8.230 nan 0.000 0.436 117 S N -0.407 115.251 115.700 -0.069 0.000 2.382 117 S HA -0.205 4.265 4.470 -0.000 0.000 0.228 117 S C 1.734 176.287 174.600 -0.079 0.000 1.027 117 S CA 1.218 59.384 58.200 -0.057 0.000 0.991 117 S CB -0.221 62.959 63.200 -0.033 0.000 0.823 117 S HN 0.437 nan 8.310 nan 0.000 0.469 118 E N 0.659 120.797 120.200 -0.104 0.000 2.077 118 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 118 E C 1.784 178.294 176.600 -0.150 0.000 0.989 118 E CA 1.144 57.474 56.400 -0.117 0.000 0.800 118 E CB -0.219 29.401 29.700 -0.133 0.000 0.746 118 E HN 0.532 nan 8.360 nan 0.000 0.452 119 I N 0.171 120.609 120.570 -0.220 0.000 3.226 119 I HA -0.085 4.085 4.170 -0.000 0.000 0.277 119 I C 1.784 177.806 176.117 -0.158 0.000 1.243 119 I CA 0.682 61.829 61.300 -0.255 0.000 1.459 119 I CB 0.256 37.959 38.000 -0.496 0.000 1.093 119 I HN -0.007 nan 8.210 nan 0.000 0.453 120 T N -0.290 114.191 114.554 -0.122 0.000 3.040 120 T HA 0.193 4.543 4.350 -0.000 0.000 0.252 120 T C 1.692 176.359 174.700 -0.056 0.000 1.064 120 T CA 0.753 62.807 62.100 -0.077 0.000 1.110 120 T CB 0.406 69.238 68.868 -0.061 0.000 0.921 120 T HN 0.500 nan 8.240 nan 0.000 0.480 121 G N 1.159 109.924 108.800 -0.058 0.000 2.184 121 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 121 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 121 G C -0.032 174.849 174.900 -0.031 0.000 0.975 121 G CA 0.072 45.147 45.100 -0.041 0.000 0.642 121 G HN 0.474 nan 8.290 nan 0.000 0.536 122 L N 1.995 123.199 121.223 -0.033 0.000 2.350 122 L HA 0.463 4.803 4.340 -0.000 0.000 0.275 122 L C 0.331 177.190 176.870 -0.019 0.000 1.099 122 L CA -0.686 54.141 54.840 -0.023 0.000 0.808 122 L CB 0.765 42.811 42.059 -0.022 0.000 1.149 122 L HN 0.142 nan 8.230 nan 0.000 0.442 123 D N 5.936 126.329 120.400 -0.012 0.000 2.455 123 D HA 0.011 4.651 4.640 -0.000 0.000 0.241 123 D C -1.692 174.606 176.300 -0.004 0.000 1.138 123 D CA -0.707 53.289 54.000 -0.007 0.000 0.877 123 D CB 1.112 41.911 40.800 -0.002 0.000 1.187 123 D HN 0.402 nan 8.370 nan 0.000 0.451 124 P HA -0.169 nan 4.420 nan 0.000 0.223 124 P C 0.844 178.150 177.300 0.009 0.000 1.144 124 P CA 1.066 64.169 63.100 0.004 0.000 0.783 124 P CB 0.220 31.925 31.700 0.008 0.000 0.771 125 D N -1.580 118.825 120.400 0.009 0.000 2.183 125 D HA -0.137 4.503 4.640 -0.000 0.000 0.203 125 D C 1.706 178.011 176.300 0.009 0.000 0.969 125 D CA 0.781 54.788 54.000 0.011 0.000 0.842 125 D CB -0.876 39.931 40.800 0.011 0.000 0.957 125 D HN -0.052 nan 8.370 nan 0.000 0.484 126 L N 0.390 121.616 121.223 0.005 0.000 2.044 126 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 126 L C 2.283 179.155 176.870 0.003 0.000 1.075 126 L CA 1.018 55.860 54.840 0.003 0.000 0.747 126 L CB -0.557 41.502 42.059 -0.001 0.000 0.903 126 L HN 0.203 nan 8.230 nan 0.000 0.435 127 I N -0.641 119.930 120.570 0.001 0.000 2.335 127 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 127 I C 2.639 178.761 176.117 0.009 0.000 1.129 127 I CA 1.184 62.486 61.300 0.003 0.000 1.402 127 I CB -0.928 37.073 38.000 0.001 0.000 1.069 127 I HN 0.343 nan 8.210 nan 0.000 0.424 128 R N 0.740 121.247 120.500 0.012 0.000 2.075 128 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 128 R C 2.159 178.467 176.300 0.014 0.000 1.126 128 R CA 1.123 57.232 56.100 0.015 0.000 0.963 128 R CB 0.081 30.392 30.300 0.018 0.000 0.858 128 R HN 0.166 nan 8.270 nan 0.000 0.435 129 E N -0.142 120.066 120.200 0.012 0.000 2.216 129 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 129 E C 1.914 178.520 176.600 0.010 0.000 0.988 129 E CA 0.778 57.185 56.400 0.012 0.000 0.834 129 E CB 0.182 29.889 29.700 0.011 0.000 0.772 129 E HN 0.198 nan 8.360 nan 0.000 0.479 130 V N 0.432 120.351 119.914 0.008 0.000 2.379 130 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 130 V C 2.450 178.549 176.094 0.008 0.000 1.044 130 V CA 0.950 63.255 62.300 0.007 0.000 1.036 130 V CB -0.346 31.479 31.823 0.004 0.000 0.664 130 V HN 0.055 nan 8.190 nan 0.000 0.453 131 V N -0.191 119.729 119.914 0.009 0.000 2.626 131 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 131 V C 2.711 178.813 176.094 0.012 0.000 1.067 131 V CA 1.581 63.887 62.300 0.011 0.000 1.081 131 V CB -0.675 31.156 31.823 0.014 0.000 0.686 131 V HN 0.450 nan 8.190 nan 0.000 0.468 132 R N 0.171 120.678 120.500 0.012 0.000 2.062 132 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 132 R C 2.449 178.756 176.300 0.011 0.000 1.136 132 R CA 1.572 57.679 56.100 0.012 0.000 0.948 132 R CB -0.899 29.408 30.300 0.012 0.000 0.845 132 R HN 0.516 nan 8.270 nan 0.000 0.430 133 A N 1.808 124.635 122.820 0.012 0.000 1.908 133 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 133 A C 2.019 179.610 177.584 0.012 0.000 1.181 133 A CA 1.462 53.506 52.037 0.013 0.000 0.627 133 A CB -0.252 18.756 19.000 0.014 0.000 0.818 133 A HN 0.095 nan 8.150 nan 0.000 0.445 134 K N -0.731 119.676 120.400 0.012 0.000 2.211 134 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 134 K C 1.627 178.235 176.600 0.014 0.000 1.050 134 K CA 0.664 56.959 56.287 0.013 0.000 0.945 134 K CB -0.284 32.224 32.500 0.014 0.000 0.732 134 K HN 0.507 nan 8.250 nan 0.000 0.451 135 I N 0.787 121.365 120.570 0.013 0.000 3.172 135 I HA -0.066 4.104 4.170 -0.000 0.000 0.278 135 I C 1.460 177.579 176.117 0.004 0.000 1.174 135 I CA 0.613 61.920 61.300 0.012 0.000 1.445 135 I CB 0.010 38.019 38.000 0.015 0.000 1.175 135 I HN -0.068 nan 8.210 nan 0.000 0.447 136 L N -0.717 120.508 121.223 0.003 0.000 2.357 136 L HA 0.560 4.900 4.340 -0.000 0.000 0.211 136 L C 0.863 177.733 176.870 -0.001 0.000 1.075 136 L CA 0.542 55.380 54.840 -0.003 0.000 0.830 136 L CB -1.042 41.015 42.059 -0.003 0.000 0.996 136 L HN 0.071 nan 8.230 nan 0.000 0.467 137 G N -1.123 107.680 108.800 0.005 0.000 2.616 137 G HA2 0.509 4.469 3.960 -0.000 0.000 0.294 137 G HA3 0.509 4.469 3.960 -0.000 0.000 0.294 137 G C -1.010 173.897 174.900 0.010 0.000 1.489 137 G CA -0.060 45.044 45.100 0.006 0.000 0.836 137 G HN 0.081 nan 8.290 nan 0.000 0.527 138 S N -0.074 115.632 115.700 0.009 0.000 2.602 138 S HA 0.444 4.914 4.470 -0.000 0.000 0.257 138 S C 2.242 176.854 174.600 0.019 0.000 1.250 138 S CA 0.266 58.472 58.200 0.011 0.000 0.986 138 S CB 0.551 63.754 63.200 0.006 0.000 1.040 138 S HN 1.602 nan 8.310 nan 0.000 0.562 139 A N 1.088 123.919 122.820 0.019 0.000 2.024 139 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 139 A C 2.183 179.797 177.584 0.050 0.000 1.164 139 A CA 1.855 53.912 52.037 0.035 0.000 0.643 139 A CB -0.889 18.126 19.000 0.025 0.000 0.806 139 A HN 0.804 nan 8.150 nan 0.000 0.451 140 R N -0.809 119.705 120.500 0.024 0.000 2.083 140 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 140 R C 1.805 178.137 176.300 0.054 0.000 1.137 140 R CA 1.643 57.756 56.100 0.022 0.000 0.951 140 R CB -1.215 29.084 30.300 -0.001 0.000 0.851 140 R HN 0.285 nan 8.270 nan 0.000 0.434 141 V N 2.112 122.050 119.914 0.040 0.000 2.809 141 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 141 V C 2.186 178.308 176.094 0.047 0.000 1.080 141 V CA 1.326 63.649 62.300 0.038 0.000 1.102 141 V CB -0.334 31.502 31.823 0.023 0.000 0.705 141 V HN 0.427 nan 8.190 nan 0.000 0.475 142 R N -1.184 119.351 120.500 0.057 0.000 2.080 142 R HA -0.042 4.298 4.340 -0.000 0.000 0.222 142 R C 2.374 178.711 176.300 0.061 0.000 1.107 142 R CA 1.196 57.326 56.100 0.049 0.000 0.980 142 R CB -0.857 29.469 30.300 0.044 0.000 0.879 142 R HN 0.572 nan 8.270 nan 0.000 0.439 143 H N 2.105 121.177 119.070 0.003 0.000 2.299 143 H HA -0.002 4.554 4.556 -0.000 0.000 0.302 143 H C 1.921 177.251 175.328 0.003 0.000 1.078 143 H CA 1.855 57.905 56.048 0.003 0.000 1.323 143 H CB 0.093 29.856 29.762 0.002 0.000 1.381 143 H HN 0.148 nan 8.280 nan 0.000 0.498 144 I N 0.611 121.320 120.570 0.233 0.000 2.193 144 I HA -0.102 4.068 4.170 -0.000 0.000 0.240 144 I C -0.264 175.876 176.117 0.038 0.000 1.084 144 I CA 0.468 61.858 61.300 0.151 0.000 1.365 144 I CB -1.559 36.522 38.000 0.134 0.000 1.064 144 I HN 0.239 nan 8.210 nan 0.000 0.410 145 P HA -0.106 nan 4.420 nan 0.000 0.212 145 P C 0.660 177.957 177.300 -0.005 0.000 1.178 145 P CA 1.196 64.304 63.100 0.014 0.000 0.915 145 P CB -0.260 31.451 31.700 0.019 0.000 0.788 146 G N -0.885 107.907 108.800 -0.013 0.000 2.319 146 G HA2 0.353 4.313 3.960 -0.000 0.000 0.308 146 G HA3 0.353 4.313 3.960 -0.000 0.000 0.308 146 G C 0.627 175.485 174.900 -0.069 0.000 1.117 146 G CA -0.491 44.593 45.100 -0.028 0.000 0.903 146 G HN 0.034 nan 8.290 nan 0.000 0.436 147 L N 1.059 122.232 121.223 -0.083 0.000 1.967 147 L HA -0.048 4.292 4.340 -0.000 0.000 0.240 147 L C 1.369 178.122 176.870 -0.195 0.000 1.091 147 L CA 1.470 56.224 54.840 -0.143 0.000 0.836 147 L CB -0.152 41.850 42.059 -0.095 0.000 0.912 147 L HN 0.476 nan 8.230 nan 0.000 0.433 148 K N -1.026 119.299 120.400 -0.125 0.000 2.739 148 K HA 0.179 4.499 4.320 -0.000 0.000 0.288 148 K C -0.329 176.240 176.600 -0.052 0.000 1.142 148 K CA -0.024 56.200 56.287 -0.106 0.000 1.060 148 K CB 1.206 33.629 32.500 -0.127 0.000 1.338 148 K HN 0.218 nan 8.250 nan 0.000 0.514 149 E N 0.886 121.065 120.200 -0.034 0.000 2.505 149 E HA 0.033 4.383 4.350 -0.000 0.000 0.212 149 E C -0.545 176.049 176.600 -0.009 0.000 0.825 149 E CA 0.120 56.509 56.400 -0.018 0.000 1.333 149 E CB 1.094 30.785 29.700 -0.015 0.000 1.319 149 E HN 0.363 nan 8.360 nan 0.000 0.658 150 T N 1.001 115.550 114.554 -0.007 0.000 2.738 150 T HA 0.302 4.652 4.350 -0.000 0.000 0.298 150 T C -0.035 174.671 174.700 0.010 0.000 0.962 150 T CA -0.459 61.642 62.100 0.002 0.000 0.972 150 T CB 0.240 69.111 68.868 0.005 0.000 0.928 150 T HN 0.087 nan 8.240 nan 0.000 0.474 151 L N 5.749 126.980 121.223 0.013 0.000 2.601 151 L HA 0.007 4.347 4.340 -0.000 0.000 0.277 151 L C 1.368 178.256 176.870 0.031 0.000 1.219 151 L CA -0.177 54.676 54.840 0.022 0.000 0.915 151 L CB 0.419 42.488 42.059 0.018 0.000 1.160 151 L HN 0.805 nan 8.230 nan 0.000 0.494 152 D N 4.504 124.935 120.400 0.050 0.000 2.133 152 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 152 D C -0.993 175.328 176.300 0.036 0.000 1.001 152 D CA 1.988 56.023 54.000 0.059 0.000 0.844 152 D CB -0.718 40.134 40.800 0.087 0.000 0.944 152 D HN 0.535 nan 8.370 nan 0.000 0.447 153 P HA 0.021 nan 4.420 nan 0.000 0.200 153 P C 1.457 178.766 177.300 0.015 0.000 1.109 153 P CA 0.876 63.987 63.100 0.019 0.000 0.908 153 P CB 0.184 31.893 31.700 0.015 0.000 0.746 154 K N 0.331 120.739 120.400 0.014 0.000 2.052 154 K HA -0.150 4.170 4.320 -0.000 0.000 0.215 154 K C 2.066 178.671 176.600 0.009 0.000 1.053 154 K CA 2.647 58.940 56.287 0.011 0.000 0.934 154 K CB -1.606 30.900 32.500 0.010 0.000 0.717 154 K HN 0.031 nan 8.250 nan 0.000 0.450 155 T N 0.747 115.308 114.554 0.011 0.000 2.555 155 T HA -0.182 4.168 4.350 -0.000 0.000 0.264 155 T C 1.813 176.518 174.700 0.007 0.000 1.083 155 T CA 2.800 64.905 62.100 0.008 0.000 1.179 155 T CB -0.719 68.155 68.868 0.009 0.000 0.863 155 T HN 0.256 nan 8.240 nan 0.000 0.412 156 V N 0.874 120.794 119.914 0.009 0.000 2.324 156 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 156 V C 2.339 178.437 176.094 0.006 0.000 1.060 156 V CA 1.832 64.137 62.300 0.008 0.000 1.042 156 V CB -0.811 31.018 31.823 0.011 0.000 0.650 156 V HN 0.313 nan 8.190 nan 0.000 0.450 157 E N 0.588 120.793 120.200 0.007 0.000 2.058 157 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 157 E C 2.282 178.885 176.600 0.004 0.000 0.997 157 E CA 1.972 58.376 56.400 0.006 0.000 0.801 157 E CB -0.374 29.330 29.700 0.007 0.000 0.746 157 E HN 0.817 nan 8.360 nan 0.000 0.450 158 E N 0.322 120.524 120.200 0.003 0.000 2.070 158 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 158 E C 2.264 178.864 176.600 -0.001 0.000 1.004 158 E CA 1.192 57.593 56.400 0.002 0.000 0.805 158 E CB -0.260 29.441 29.700 0.001 0.000 0.744 158 E HN 0.302 nan 8.360 nan 0.000 0.451 159 I N 1.254 121.823 120.570 -0.001 0.000 2.286 159 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 159 I C 1.874 177.987 176.117 -0.006 0.000 1.115 159 I CA 0.987 62.285 61.300 -0.004 0.000 1.392 159 I CB -0.319 37.680 38.000 -0.003 0.000 1.065 159 I HN 0.019 nan 8.210 nan 0.000 0.418 160 D N 0.444 120.842 120.400 -0.004 0.000 2.224 160 D HA -0.161 4.479 4.640 -0.000 0.000 0.205 160 D C 2.152 178.447 176.300 -0.008 0.000 0.965 160 D CA 0.981 54.977 54.000 -0.007 0.000 0.852 160 D CB 0.021 40.820 40.800 -0.002 0.000 0.947 160 D HN 0.471 nan 8.370 nan 0.000 0.494 161 Q N 0.672 120.470 119.800 -0.003 0.000 2.079 161 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 161 Q C 1.988 177.987 176.000 -0.002 0.000 0.974 161 Q CA 1.015 56.817 55.803 -0.001 0.000 0.840 161 Q CB 0.264 29.003 28.738 0.002 0.000 0.898 161 Q HN 0.167 nan 8.270 nan 0.000 0.430 162 K N 0.129 120.526 120.400 -0.005 0.000 2.148 162 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 162 K C 1.986 178.583 176.600 -0.006 0.000 1.050 162 K CA 0.770 57.054 56.287 -0.005 0.000 0.942 162 K CB -0.025 32.469 32.500 -0.010 0.000 0.724 162 K HN 0.247 nan 8.250 nan 0.000 0.446 163 L N 1.317 122.532 121.223 -0.014 0.000 2.141 163 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 163 L C 2.677 179.528 176.870 -0.033 0.000 1.094 163 L CA 1.135 55.960 54.840 -0.025 0.000 0.763 163 L CB -0.332 41.705 42.059 -0.036 0.000 0.908 163 L HN 0.192 nan 8.230 nan 0.000 0.437 164 K N 0.064 120.450 120.400 -0.023 0.000 2.031 164 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 164 K C 2.188 178.793 176.600 0.008 0.000 1.049 164 K CA 1.449 57.728 56.287 -0.013 0.000 0.939 164 K CB 0.086 32.587 32.500 0.001 0.000 0.717 164 K HN 0.130 nan 8.250 nan 0.000 0.438 165 S N 1.584 117.291 115.700 0.011 0.000 2.419 165 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 165 S C 0.709 175.330 174.600 0.034 0.000 1.019 165 S CA 0.579 58.791 58.200 0.020 0.000 0.982 165 S CB -0.390 62.819 63.200 0.016 0.000 0.789 165 S HN 0.265 nan 8.310 nan 0.000 0.490 166 L N 3.129 124.379 121.223 0.045 0.000 2.700 166 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 166 L C -2.204 174.702 176.870 0.061 0.000 1.176 166 L CA -1.315 53.583 54.840 0.096 0.000 0.961 166 L CB -0.676 41.454 42.059 0.118 0.000 1.249 166 L HN 0.012 nan 8.230 nan 0.000 0.487 167 P HA -0.023 nan 4.420 nan 0.000 0.278 167 P C 0.630 177.917 177.300 -0.022 0.000 1.270 167 P CA -0.341 62.749 63.100 -0.016 0.000 0.800 167 P CB 0.437 32.105 31.700 -0.053 0.000 1.142 168 K N 0.270 120.662 120.400 -0.012 0.000 2.148 168 K HA -0.283 4.037 4.320 -0.000 0.000 0.213 168 K C 1.573 178.178 176.600 0.009 0.000 1.050 168 K CA 2.204 58.498 56.287 0.011 0.000 0.932 168 K CB -0.681 31.816 32.500 -0.005 0.000 0.717 168 K HN 0.475 nan 8.250 nan 0.000 0.462 169 E N 0.077 120.222 120.200 -0.092 0.000 2.015 169 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 169 E C 2.088 178.706 176.600 0.029 0.000 0.991 169 E CA 1.286 57.617 56.400 -0.115 0.000 0.802 169 E CB -0.291 29.196 29.700 -0.355 0.000 0.759 169 E HN 0.444 nan 8.360 nan 0.000 0.447 170 H N -0.157 118.968 119.070 0.091 0.000 2.497 170 H HA 0.173 4.729 4.556 -0.000 0.000 0.282 170 H C 1.767 177.178 175.328 0.139 0.000 1.003 170 H CA 0.928 57.014 56.048 0.064 0.000 1.307 170 H CB 0.006 29.721 29.762 -0.077 0.000 1.437 170 H HN -0.012 nan 8.280 nan 0.000 0.544 171 K N 1.852 122.356 120.400 0.174 0.000 2.152 171 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 171 K C 2.291 178.964 176.600 0.121 0.000 1.048 171 K CA 0.868 57.200 56.287 0.075 0.000 0.933 171 K CB 0.026 32.577 32.500 0.085 0.000 0.721 171 K HN 0.067 nan 8.250 nan 0.000 0.447 172 R N -0.834 119.819 120.500 0.255 0.000 2.103 172 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 172 R C 1.780 178.174 176.300 0.158 0.000 1.142 172 R CA 1.959 58.202 56.100 0.237 0.000 0.960 172 R CB -0.394 30.001 30.300 0.157 0.000 0.858 172 R HN 0.304 nan 8.270 nan 0.000 0.439 173 Y N 0.640 120.979 120.300 0.066 0.000 2.242 173 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 173 Y C 2.269 178.173 175.900 0.007 0.000 1.137 173 Y CA 1.089 59.214 58.100 0.042 0.000 1.181 173 Y CB -0.391 38.096 38.460 0.045 0.000 0.989 173 Y HN 0.094 nan 8.280 nan 0.000 0.527 174 L N -0.623 120.666 121.223 0.110 0.000 1.955 174 L HA -0.306 4.034 4.340 -0.000 0.000 0.213 174 L C 2.504 179.351 176.870 -0.039 0.000 1.072 174 L CA 1.785 56.607 54.840 -0.031 0.000 0.755 174 L CB -0.570 41.381 42.059 -0.180 0.000 0.888 174 L HN 0.349 nan 8.230 nan 0.000 0.432 175 H N -0.714 118.385 119.070 0.048 0.000 2.390 175 H HA -0.206 4.350 4.556 -0.000 0.000 0.298 175 H C 2.166 177.493 175.328 -0.002 0.000 1.106 175 H CA 1.827 57.886 56.048 0.018 0.000 1.297 175 H CB -0.142 29.626 29.762 0.010 0.000 1.375 175 H HN 0.331 nan 8.280 nan 0.000 0.509 176 I N 0.669 121.298 120.570 0.099 0.000 2.286 176 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 176 I C 2.638 178.764 176.117 0.015 0.000 1.104 176 I CA 1.023 62.333 61.300 0.017 0.000 1.397 176 I CB -0.574 37.382 38.000 -0.073 0.000 1.072 176 I HN 0.153 nan 8.210 nan 0.000 0.417 177 A N 0.345 123.183 122.820 0.031 0.000 1.873 177 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 177 A C 2.489 180.087 177.584 0.024 0.000 1.193 177 A CA 1.890 53.945 52.037 0.030 0.000 0.629 177 A CB -0.653 18.372 19.000 0.042 0.000 0.826 177 A HN 0.334 nan 8.150 nan 0.000 0.447 178 R N -0.664 119.854 120.500 0.031 0.000 2.070 178 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 178 R C 2.155 178.472 176.300 0.028 0.000 1.137 178 R CA 1.426 57.545 56.100 0.030 0.000 0.945 178 R CB -0.449 29.875 30.300 0.041 0.000 0.845 178 R HN 0.586 nan 8.270 nan 0.000 0.430 179 E N -0.230 119.988 120.200 0.031 0.000 2.171 179 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 179 E C 2.006 178.607 176.600 0.002 0.000 0.997 179 E CA 1.444 57.854 56.400 0.016 0.000 0.810 179 E CB -0.278 29.426 29.700 0.007 0.000 0.738 179 E HN 0.512 nan 8.360 nan 0.000 0.467 180 G N 1.442 110.240 108.800 -0.004 0.000 2.404 180 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 180 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 180 G C 1.521 176.418 174.900 -0.006 0.000 1.174 180 G CA 0.293 45.383 45.100 -0.016 0.000 0.780 180 G HN 0.123 nan 8.290 nan 0.000 0.537 181 E N 0.858 121.062 120.200 0.006 0.000 2.097 181 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 181 E C 2.912 179.518 176.600 0.011 0.000 1.000 181 E CA 1.150 57.555 56.400 0.009 0.000 0.804 181 E CB -0.431 29.277 29.700 0.013 0.000 0.740 181 E HN 0.315 nan 8.360 nan 0.000 0.454 182 A N 1.345 124.178 122.820 0.021 0.000 1.845 182 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 182 A C 2.486 180.113 177.584 0.072 0.000 1.195 182 A CA 2.582 54.646 52.037 0.044 0.000 0.616 182 A CB -1.012 18.028 19.000 0.066 0.000 0.832 182 A HN 0.310 nan 8.150 nan 0.000 0.443 183 A N -0.072 122.780 122.820 0.054 0.000 1.915 183 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 183 A C 2.270 179.866 177.584 0.020 0.000 1.198 183 A CA 2.420 54.476 52.037 0.033 0.000 0.647 183 A CB -0.733 18.245 19.000 -0.037 0.000 0.825 183 A HN 0.635 nan 8.150 nan 0.000 0.456 184 R N -0.619 119.877 120.500 -0.007 0.000 2.132 184 R HA -0.288 4.052 4.340 -0.000 0.000 0.233 184 R C 2.325 178.615 176.300 -0.016 0.000 1.125 184 R CA 2.415 58.501 56.100 -0.024 0.000 0.914 184 R CB -0.710 29.585 30.300 -0.009 0.000 0.845 184 R HN 0.603 nan 8.270 nan 0.000 0.431 185 Q N -0.698 119.094 119.800 -0.014 0.000 2.133 185 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 185 Q C 2.307 178.272 176.000 -0.058 0.000 0.991 185 Q CA 2.151 57.928 55.803 -0.044 0.000 0.867 185 Q CB -0.222 28.468 28.738 -0.081 0.000 0.911 185 Q HN 0.509 nan 8.270 nan 0.000 0.417 186 H N -0.351 118.698 119.070 -0.034 0.000 2.353 186 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 186 H C 2.075 177.369 175.328 -0.057 0.000 1.090 186 H CA 1.439 57.464 56.048 -0.037 0.000 1.327 186 H CB -0.229 29.507 29.762 -0.043 0.000 1.383 186 H HN 0.286 nan 8.280 nan 0.000 0.508 187 L N 0.407 121.649 121.223 0.031 0.000 2.042 187 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 187 L C 2.409 179.242 176.870 -0.061 0.000 1.076 187 L CA 1.000 55.785 54.840 -0.091 0.000 0.749 187 L CB -0.269 41.637 42.059 -0.255 0.000 0.893 187 L HN 0.195 nan 8.230 nan 0.000 0.432 188 I N -0.456 120.096 120.570 -0.030 0.000 2.163 188 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 188 I C 2.335 178.471 176.117 0.032 0.000 1.085 188 I CA 1.417 62.727 61.300 0.018 0.000 1.347 188 I CB -0.463 37.550 38.000 0.023 0.000 1.044 188 I HN 0.302 nan 8.210 nan 0.000 0.408 189 E N 1.387 121.601 120.200 0.023 0.000 2.023 189 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 189 E C 2.401 179.040 176.600 0.065 0.000 1.003 189 E CA 1.482 57.909 56.400 0.044 0.000 0.809 189 E CB -0.345 29.363 29.700 0.014 0.000 0.755 189 E HN 0.525 nan 8.360 nan 0.000 0.449 190 A N 1.712 124.571 122.820 0.066 0.000 1.978 190 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 190 A C 1.276 178.888 177.584 0.047 0.000 1.170 190 A CA 1.318 53.391 52.037 0.060 0.000 0.636 190 A CB -0.312 18.716 19.000 0.048 0.000 0.810 190 A HN 0.121 nan 8.150 nan 0.000 0.448 191 N N -0.032 118.697 118.700 0.047 0.000 2.758 191 N HA 0.330 5.070 4.740 -0.000 0.000 0.293 191 N C 0.406 175.928 175.510 0.021 0.000 1.273 191 N CA 0.102 53.190 53.050 0.062 0.000 1.022 191 N CB 0.516 39.088 38.487 0.142 0.000 1.334 191 N HN 0.461 nan 8.380 nan 0.000 0.519 192 L N -0.826 120.380 121.223 -0.029 0.000 2.463 192 L HA 0.200 4.540 4.340 -0.000 0.000 0.219 192 L C 2.273 178.995 176.870 -0.246 0.000 1.088 192 L CA 0.176 54.919 54.840 -0.160 0.000 0.849 192 L CB 0.187 42.133 42.059 -0.188 0.000 1.012 192 L HN 0.079 nan 8.230 nan 0.000 0.468 193 R N 0.350 120.780 120.500 -0.117 0.000 2.115 193 R HA -0.152 4.188 4.340 -0.000 0.000 0.230 193 R C 2.156 178.421 176.300 -0.059 0.000 1.111 193 R CA 1.037 57.087 56.100 -0.083 0.000 0.976 193 R CB -0.169 30.129 30.300 -0.004 0.000 0.870 193 R HN 0.116 nan 8.270 nan 0.000 0.445 194 L N 0.010 121.213 121.223 -0.032 0.000 2.012 194 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 194 L C 1.951 178.798 176.870 -0.038 0.000 1.073 194 L CA 1.622 56.455 54.840 -0.010 0.000 0.748 194 L CB -0.673 41.402 42.059 0.026 0.000 0.891 194 L HN 0.048 nan 8.230 nan 0.000 0.431 195 V N -1.058 118.812 119.914 -0.072 0.000 2.223 195 V HA -0.310 3.810 4.120 -0.000 0.000 0.244 195 V C 2.519 178.564 176.094 -0.082 0.000 1.045 195 V CA 1.855 64.100 62.300 -0.092 0.000 1.000 195 V CB -0.489 31.258 31.823 -0.125 0.000 0.635 195 V HN 0.340 nan 8.190 nan 0.000 0.445 196 V N 1.083 120.921 119.914 -0.128 0.000 2.324 196 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 196 V C 2.705 178.848 176.094 0.081 0.000 1.060 196 V CA 2.430 64.702 62.300 -0.047 0.000 1.042 196 V CB -1.339 30.393 31.823 -0.152 0.000 0.650 196 V HN 0.771 nan 8.190 nan 0.000 0.450 197 S N 0.296 116.014 115.700 0.031 0.000 2.368 197 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 197 S C 1.924 176.548 174.600 0.039 0.000 1.030 197 S CA 1.838 60.068 58.200 0.051 0.000 0.999 197 S CB -0.651 62.567 63.200 0.029 0.000 0.844 197 S HN 0.543 nan 8.310 nan 0.000 0.459 198 I N 2.570 123.137 120.570 -0.006 0.000 2.072 198 I HA -0.122 4.048 4.170 -0.000 0.000 0.235 198 I C 3.165 179.237 176.117 -0.076 0.000 1.058 198 I CA 1.198 62.458 61.300 -0.067 0.000 1.320 198 I CB -0.929 36.985 38.000 -0.144 0.000 1.047 198 I HN 0.429 nan 8.210 nan 0.000 0.397 199 A N 0.820 123.605 122.820 -0.057 0.000 2.042 199 A HA -0.334 3.986 4.320 -0.000 0.000 0.222 199 A C 2.195 179.861 177.584 0.135 0.000 1.167 199 A CA 2.374 54.427 52.037 0.026 0.000 0.649 199 A CB -0.682 18.391 19.000 0.121 0.000 0.809 199 A HN 0.410 nan 8.150 nan 0.000 0.457 200 K N 0.231 120.720 120.400 0.149 0.000 2.103 200 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 200 K C 1.675 178.218 176.600 -0.095 0.000 1.048 200 K CA 2.154 58.424 56.287 -0.029 0.000 0.930 200 K CB -0.215 32.326 32.500 0.068 0.000 0.716 200 K HN 0.511 nan 8.250 nan 0.000 0.444 201 K N -1.163 119.274 120.400 0.061 0.000 2.356 201 K HA 0.012 4.332 4.320 -0.000 0.000 0.195 201 K C 0.206 176.919 176.600 0.187 0.000 1.037 201 K CA 0.267 56.617 56.287 0.106 0.000 1.014 201 K CB 0.251 32.844 32.500 0.155 0.000 0.815 201 K HN 0.102 nan 8.250 nan 0.000 0.507 202 Y N 1.127 121.379 120.300 -0.080 0.000 2.775 202 Y HA 0.102 4.652 4.550 -0.000 0.000 0.349 202 Y C 1.568 177.420 175.900 -0.080 0.000 1.094 202 Y CA -0.334 57.725 58.100 -0.069 0.000 1.467 202 Y CB -0.605 37.826 38.460 -0.048 0.000 1.272 202 Y HN -0.037 nan 8.280 nan 0.000 0.515 203 T N -0.497 114.054 114.554 -0.005 0.000 2.590 203 T HA -0.124 4.226 4.350 -0.000 0.000 0.257 203 T C 1.992 176.655 174.700 -0.062 0.000 1.080 203 T CA 1.735 63.771 62.100 -0.107 0.000 1.180 203 T CB -0.535 68.187 68.868 -0.243 0.000 0.865 203 T HN 0.566 nan 8.240 nan 0.000 0.403 204 G N 1.380 110.137 108.800 -0.072 0.000 3.318 204 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.230 204 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.230 204 G C 1.285 176.157 174.900 -0.046 0.000 1.317 204 G CA -0.242 44.824 45.100 -0.056 0.000 1.197 204 G HN 0.259 nan 8.290 nan 0.000 0.514 205 R N -0.130 120.351 120.500 -0.032 0.000 2.210 205 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 205 R C 1.656 177.948 176.300 -0.013 0.000 1.010 205 R CA 0.851 56.933 56.100 -0.030 0.000 1.008 205 R CB 0.406 30.695 30.300 -0.018 0.000 0.923 205 R HN 0.476 nan 8.270 nan 0.000 0.469 206 G N 0.200 109.000 108.800 -0.001 0.000 2.174 206 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.140 206 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.140 206 G C -0.300 174.612 174.900 0.020 0.000 1.031 206 G CA -0.632 44.471 45.100 0.005 0.000 0.728 206 G HN 0.075 nan 8.290 nan 0.000 0.496 207 L N 1.351 122.594 121.223 0.033 0.000 2.370 207 L HA 0.628 4.968 4.340 -0.000 0.000 0.266 207 L C 0.359 177.272 176.870 0.072 0.000 1.002 207 L CA -0.724 54.147 54.840 0.051 0.000 0.818 207 L CB 2.067 44.163 42.059 0.061 0.000 1.325 207 L HN 0.126 nan 8.230 nan 0.000 0.418 208 S N 2.086 117.836 115.700 0.082 0.000 2.562 208 S HA 0.094 4.564 4.470 -0.000 0.000 0.281 208 S C 1.019 175.737 174.600 0.197 0.000 1.333 208 S CA -0.256 58.014 58.200 0.116 0.000 1.052 208 S CB 0.580 63.834 63.200 0.089 0.000 0.884 208 S HN 0.576 nan 8.310 nan 0.000 0.506 209 F N 2.039 122.004 119.950 0.026 0.000 2.087 209 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 209 F C 1.744 177.563 175.800 0.032 0.000 1.100 209 F CA 1.334 59.351 58.000 0.029 0.000 1.226 209 F CB -0.012 39.007 39.000 0.031 0.000 0.983 209 F HN 0.527 nan 8.300 nan 0.000 0.479 210 L N -0.026 121.261 121.223 0.108 0.000 2.093 210 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 210 L C 1.768 178.661 176.870 0.038 0.000 1.085 210 L CA 1.377 56.207 54.840 -0.016 0.000 0.755 210 L CB -0.612 41.439 42.059 -0.014 0.000 0.904 210 L HN 0.093 nan 8.230 nan 0.000 0.435 211 D N 0.006 120.450 120.400 0.072 0.000 2.097 211 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 211 D C 2.322 178.662 176.300 0.068 0.000 0.989 211 D CA 1.116 55.153 54.000 0.061 0.000 0.827 211 D CB -0.219 40.619 40.800 0.062 0.000 0.966 211 D HN 0.170 nan 8.370 nan 0.000 0.456 212 L N 0.266 121.556 121.223 0.111 0.000 1.989 212 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 212 L C 2.391 179.307 176.870 0.076 0.000 1.071 212 L CA 0.982 55.890 54.840 0.114 0.000 0.749 212 L CB -0.433 41.742 42.059 0.194 0.000 0.890 212 L HN 0.069 nan 8.230 nan 0.000 0.431 213 I N -1.063 119.556 120.570 0.082 0.000 2.208 213 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 213 I C 2.739 178.843 176.117 -0.021 0.000 1.097 213 I CA 1.053 62.347 61.300 -0.010 0.000 1.363 213 I CB -0.410 37.515 38.000 -0.125 0.000 1.051 213 I HN 0.333 nan 8.210 nan 0.000 0.413 214 Q N 0.575 120.379 119.800 0.006 0.000 2.050 214 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 214 Q C 2.204 178.212 176.000 0.015 0.000 0.980 214 Q CA 1.508 57.322 55.803 0.018 0.000 0.840 214 Q CB -0.283 28.472 28.738 0.029 0.000 0.898 214 Q HN 0.495 nan 8.270 nan 0.000 0.424 215 E N -0.572 119.637 120.200 0.015 0.000 2.077 215 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 215 E C 1.966 178.563 176.600 -0.005 0.000 0.989 215 E CA 1.168 57.574 56.400 0.010 0.000 0.800 215 E CB -0.433 29.273 29.700 0.009 0.000 0.746 215 E HN 0.471 nan 8.360 nan 0.000 0.452 216 G N 1.203 109.986 108.800 -0.028 0.000 2.450 216 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 216 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 216 G C 1.464 176.348 174.900 -0.027 0.000 1.130 216 G CA 1.076 46.143 45.100 -0.055 0.000 0.760 216 G HN 0.282 nan 8.290 nan 0.000 0.557 217 N N -0.017 118.672 118.700 -0.019 0.000 2.058 217 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 217 N C 2.151 177.680 175.510 0.032 0.000 1.037 217 N CA 1.328 54.377 53.050 -0.002 0.000 0.848 217 N CB -0.248 38.240 38.487 0.003 0.000 1.021 217 N HN 0.441 nan 8.380 nan 0.000 0.422 218 Q N 0.268 120.089 119.800 0.035 0.000 2.297 218 Q HA -0.103 4.237 4.340 -0.000 0.000 0.208 218 Q C 1.877 177.924 176.000 0.077 0.000 0.981 218 Q CA 1.566 57.401 55.803 0.054 0.000 0.876 218 Q CB -0.143 28.624 28.738 0.047 0.000 0.921 218 Q HN 0.440 nan 8.270 nan 0.000 0.446 219 G N 0.789 109.628 108.800 0.066 0.000 2.408 219 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 219 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 219 G C 1.299 176.280 174.900 0.136 0.000 1.156 219 G CA 0.517 45.680 45.100 0.106 0.000 0.793 219 G HN 0.409 nan 8.290 nan 0.000 0.535 220 L N 0.588 121.866 121.223 0.091 0.000 2.141 220 L HA 0.087 4.427 4.340 -0.000 0.000 0.209 220 L C 2.597 179.559 176.870 0.152 0.000 1.094 220 L CA 0.973 55.880 54.840 0.111 0.000 0.763 220 L CB -0.152 41.976 42.059 0.115 0.000 0.908 220 L HN 0.258 nan 8.230 nan 0.000 0.437 221 I N -1.001 119.643 120.570 0.123 0.000 2.394 221 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 221 I C 2.670 178.848 176.117 0.102 0.000 1.136 221 I CA 0.996 62.366 61.300 0.116 0.000 1.425 221 I CB -0.582 37.469 38.000 0.086 0.000 1.079 221 I HN 0.246 nan 8.210 nan 0.000 0.425 222 R N 1.549 122.114 120.500 0.108 0.000 2.081 222 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 222 R C 2.485 178.676 176.300 -0.181 0.000 1.131 222 R CA 1.576 57.734 56.100 0.097 0.000 0.960 222 R CB -0.250 30.238 30.300 0.314 0.000 0.856 222 R HN 0.380 nan 8.270 nan 0.000 0.436 223 A N 0.312 122.982 122.820 -0.250 0.000 1.908 223 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 223 A C 2.236 179.773 177.584 -0.079 0.000 1.181 223 A CA 1.738 53.347 52.037 -0.712 0.000 0.627 223 A CB -0.653 17.962 19.000 -0.642 0.000 0.818 223 A HN 0.233 nan 8.150 nan 0.000 0.445 224 V N 0.323 120.410 119.914 0.288 0.000 2.453 224 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 224 V C 2.494 178.718 176.094 0.217 0.000 1.068 224 V CA 2.384 64.947 62.300 0.438 0.000 1.070 224 V CB -0.818 31.159 31.823 0.256 0.000 0.664 224 V HN 0.819 nan 8.190 nan 0.000 0.461 225 E N 0.209 120.454 120.200 0.075 0.000 2.152 225 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 225 E C 1.961 178.578 176.600 0.027 0.000 0.983 225 E CA 0.968 57.392 56.400 0.038 0.000 0.818 225 E CB 0.086 29.795 29.700 0.014 0.000 0.758 225 E HN 0.573 nan 8.360 nan 0.000 0.467 226 K N -0.110 120.275 120.400 -0.024 0.000 2.354 226 K HA 0.043 4.363 4.320 -0.000 0.000 0.194 226 K C 0.215 176.882 176.600 0.110 0.000 1.038 226 K CA -0.370 55.932 56.287 0.026 0.000 1.052 226 K CB 0.296 32.754 32.500 -0.069 0.000 0.861 226 K HN 0.040 nan 8.250 nan 0.000 0.535 227 F N 3.714 123.680 119.950 0.027 0.000 2.543 227 F HA 0.015 4.542 4.527 -0.000 0.000 0.375 227 F C -0.258 175.453 175.800 -0.148 0.000 1.075 227 F CA -0.609 57.249 58.000 -0.237 0.000 1.225 227 F CB 0.356 39.382 39.000 0.044 0.000 1.099 227 F HN -0.080 nan 8.300 nan 0.000 0.561 228 E N 6.743 126.388 120.200 -0.926 0.000 2.046 228 E HA 0.066 4.416 4.350 -0.000 0.000 0.279 228 E C 0.020 175.752 176.600 -1.446 0.000 0.989 228 E CA -0.263 55.621 56.400 -0.859 0.000 0.798 228 E CB 0.145 29.585 29.700 -0.433 0.000 1.086 228 E HN 0.714 nan 8.360 nan 0.000 0.399 229 Y N 2.582 122.079 120.300 -1.338 0.000 2.497 229 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 229 Y C 1.307 176.903 175.900 -0.507 0.000 1.137 229 Y CA 0.716 58.213 58.100 -1.005 0.000 1.285 229 Y CB -0.048 38.115 38.460 -0.495 0.000 0.991 229 Y HN 0.183 nan 8.280 nan 0.000 0.556 230 K N 1.187 121.032 120.400 -0.925 0.000 2.063 230 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 230 K C 0.490 176.888 176.600 -0.336 0.000 1.048 230 K CA 1.330 57.225 56.287 -0.653 0.000 0.928 230 K CB -0.152 32.029 32.500 -0.531 0.000 0.713 230 K HN 0.301 nan 8.250 nan 0.000 0.442 231 R N 1.282 121.595 120.500 -0.311 0.000 2.325 231 R HA 0.094 4.434 4.340 -0.000 0.000 0.323 231 R C 0.749 176.982 176.300 -0.110 0.000 1.177 231 R CA -0.275 55.784 56.100 -0.068 0.000 1.018 231 R CB 0.532 30.947 30.300 0.191 0.000 1.070 231 R HN -0.006 nan 8.270 nan 0.000 0.495 232 R N 3.488 124.004 120.500 0.027 0.000 2.234 232 R HA -0.234 4.106 4.340 -0.000 0.000 0.262 232 R C 0.086 176.476 176.300 0.151 0.000 1.150 232 R CA 1.616 57.767 56.100 0.084 0.000 0.981 232 R CB -0.804 29.562 30.300 0.111 0.000 0.899 232 R HN 0.572 nan 8.270 nan 0.000 0.458 233 F N 0.996 121.048 119.950 0.170 0.000 2.637 233 F HA 0.009 4.536 4.527 -0.000 0.000 0.372 233 F C 0.574 176.481 175.800 0.177 0.000 1.107 233 F CA -0.688 57.405 58.000 0.155 0.000 1.325 233 F CB 0.067 39.140 39.000 0.122 0.000 1.016 233 F HN 0.045 nan 8.300 nan 0.000 0.593 234 K N 2.893 123.404 120.400 0.186 0.000 2.098 234 K HA 0.308 4.628 4.320 -0.000 0.000 0.244 234 K C 0.187 176.701 176.600 -0.143 0.000 1.014 234 K CA -0.629 55.648 56.287 -0.017 0.000 0.917 234 K CB 0.564 33.102 32.500 0.064 0.000 1.072 234 K HN 0.629 nan 8.250 nan 0.000 0.477 235 F N 0.939 120.587 119.950 -0.504 0.000 2.307 235 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 235 F C 2.481 178.245 175.800 -0.061 0.000 1.076 235 F CA 1.547 59.293 58.000 -0.422 0.000 1.383 235 F CB -0.219 38.579 39.000 -0.338 0.000 1.055 235 F HN 0.844 nan 8.300 nan 0.000 0.526 236 S N -0.516 115.246 115.700 0.102 0.000 2.378 236 S HA -0.241 4.229 4.470 -0.000 0.000 0.221 236 S C 2.140 176.777 174.600 0.062 0.000 1.037 236 S CA 2.464 60.715 58.200 0.086 0.000 1.069 236 S CB -0.737 62.515 63.200 0.087 0.000 1.006 236 S HN 0.463 nan 8.310 nan 0.000 0.423 237 T N 0.259 114.876 114.554 0.104 0.000 2.849 237 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 237 T C 1.513 176.314 174.700 0.168 0.000 1.066 237 T CA 1.522 63.696 62.100 0.123 0.000 1.130 237 T CB -0.510 68.436 68.868 0.129 0.000 0.864 237 T HN 0.533 nan 8.240 nan 0.000 0.481 238 Y N 2.042 122.340 120.300 -0.002 0.000 2.184 238 Y HA 0.142 4.692 4.550 -0.000 0.000 0.290 238 Y C 2.632 178.538 175.900 0.010 0.000 1.129 238 Y CA 0.533 58.639 58.100 0.011 0.000 1.144 238 Y CB -0.940 37.422 38.460 -0.163 0.000 0.995 238 Y HN 0.184 nan 8.280 nan 0.000 0.513 239 A N -0.760 121.879 122.820 -0.300 0.000 1.908 239 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 239 A C 2.237 179.803 177.584 -0.030 0.000 1.181 239 A CA 2.328 54.205 52.037 -0.266 0.000 0.627 239 A CB -1.382 17.487 19.000 -0.218 0.000 0.818 239 A HN 0.505 nan 8.150 nan 0.000 0.445 240 T N -1.476 113.083 114.554 0.008 0.000 2.592 240 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 240 T C 1.456 176.174 174.700 0.030 0.000 1.060 240 T CA 1.881 63.994 62.100 0.022 0.000 1.167 240 T CB -0.426 68.474 68.868 0.054 0.000 0.863 240 T HN 0.749 nan 8.240 nan 0.000 0.431 241 W N 0.190 121.427 121.300 -0.105 0.000 2.353 241 W HA -0.094 4.566 4.660 -0.000 0.000 0.319 241 W C 1.750 178.113 176.519 -0.261 0.000 1.207 241 W CA 0.871 58.101 57.345 -0.192 0.000 1.291 241 W CB -0.553 28.761 29.460 -0.243 0.000 1.159 241 W HN 0.272 nan 8.180 nan 0.000 0.478 242 W N 0.158 121.547 121.300 0.148 0.000 2.424 242 W HA -0.115 4.545 4.660 -0.000 0.000 0.264 242 W C 1.970 178.415 176.519 -0.124 0.000 1.229 242 W CA 1.005 58.373 57.345 0.038 0.000 1.208 242 W CB -0.610 28.773 29.460 -0.127 0.000 1.127 242 W HN -0.066 nan 8.180 nan 0.000 0.588 243 I N -0.808 119.764 120.570 0.004 0.000 2.512 243 I HA -0.108 4.062 4.170 -0.000 0.000 0.247 243 I C 2.465 178.442 176.117 -0.232 0.000 1.094 243 I CA 0.624 61.872 61.300 -0.088 0.000 1.427 243 I CB -0.391 37.556 38.000 -0.089 0.000 1.149 243 I HN -0.259 nan 8.210 nan 0.000 0.438 244 R N 0.409 120.718 120.500 -0.318 0.000 2.127 244 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 244 R C 2.229 178.300 176.300 -0.381 0.000 1.134 244 R CA 1.289 57.145 56.100 -0.407 0.000 0.975 244 R CB -0.175 29.921 30.300 -0.339 0.000 0.865 244 R HN 0.316 nan 8.270 nan 0.000 0.447 245 Q N -0.141 119.342 119.800 -0.529 0.000 2.083 245 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 245 Q C 2.036 177.866 176.000 -0.284 0.000 0.969 245 Q CA 1.778 57.254 55.803 -0.546 0.000 0.838 245 Q CB -0.337 27.852 28.738 -0.916 0.000 0.900 245 Q HN 0.329 nan 8.270 nan 0.000 0.436 246 A N 0.282 122.980 122.820 -0.205 0.000 1.902 246 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 246 A C 2.093 179.628 177.584 -0.082 0.000 1.181 246 A CA 1.328 53.308 52.037 -0.095 0.000 0.623 246 A CB -0.726 18.251 19.000 -0.038 0.000 0.818 246 A HN 0.355 nan 8.150 nan 0.000 0.443 247 I N -0.126 120.372 120.570 -0.120 0.000 2.113 247 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 247 I C 2.229 178.351 176.117 0.009 0.000 1.070 247 I CA 1.342 62.595 61.300 -0.078 0.000 1.332 247 I CB -0.637 37.230 38.000 -0.222 0.000 1.044 247 I HN 0.322 nan 8.210 nan 0.000 0.402 248 N N 0.878 119.595 118.700 0.029 0.000 2.094 248 N HA -0.256 4.484 4.740 -0.000 0.000 0.191 248 N C 1.922 177.431 175.510 -0.002 0.000 1.023 248 N CA 1.522 54.607 53.050 0.059 0.000 0.857 248 N CB -0.481 38.020 38.487 0.023 0.000 1.013 248 N HN 0.351 nan 8.380 nan 0.000 0.426 249 R N 0.981 121.459 120.500 -0.038 0.000 2.070 249 R HA -0.073 4.267 4.340 -0.000 0.000 0.233 249 R C 2.211 178.508 176.300 -0.006 0.000 1.137 249 R CA 1.693 57.775 56.100 -0.030 0.000 0.945 249 R CB -0.430 29.845 30.300 -0.042 0.000 0.845 249 R HN 0.162 nan 8.270 nan 0.000 0.430 250 A N 1.149 123.968 122.820 -0.001 0.000 1.873 250 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 250 A C 2.249 179.845 177.584 0.019 0.000 1.193 250 A CA 2.061 54.106 52.037 0.012 0.000 0.629 250 A CB -0.832 18.177 19.000 0.016 0.000 0.826 250 A HN 0.452 nan 8.150 nan 0.000 0.447 251 I N -0.357 120.231 120.570 0.029 0.000 2.248 251 I HA -0.327 3.843 4.170 -0.000 0.000 0.248 251 I C 2.758 178.883 176.117 0.013 0.000 1.107 251 I CA 1.332 62.650 61.300 0.030 0.000 1.373 251 I CB -0.258 37.768 38.000 0.044 0.000 1.055 251 I HN 0.375 nan 8.210 nan 0.000 0.418 252 A N -0.183 122.641 122.820 0.007 0.000 2.072 252 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 252 A C 1.706 179.295 177.584 0.008 0.000 1.156 252 A CA 1.195 53.234 52.037 0.003 0.000 0.701 252 A CB -0.198 18.800 19.000 -0.003 0.000 0.816 252 A HN 0.326 nan 8.150 nan 0.000 0.458 253 D N -0.757 119.648 120.400 0.009 0.000 2.324 253 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 253 D C 1.870 178.178 176.300 0.013 0.000 0.984 253 D CA 0.954 54.961 54.000 0.011 0.000 0.885 253 D CB -0.094 40.713 40.800 0.011 0.000 0.996 253 D HN 0.591 nan 8.370 nan 0.000 0.505 254 Q N 0.045 119.854 119.800 0.014 0.000 2.391 254 Q HA 0.345 4.685 4.340 -0.000 0.000 0.243 254 Q C 2.026 178.035 176.000 0.014 0.000 0.874 254 Q CA 0.404 56.217 55.803 0.015 0.000 0.950 254 Q CB 0.372 29.121 28.738 0.019 0.000 1.103 254 Q HN 0.104 nan 8.270 nan 0.000 0.544 255 A N 1.989 124.817 122.820 0.014 0.000 1.997 255 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 255 A C 0.942 178.531 177.584 0.008 0.000 1.172 255 A CA 1.211 53.255 52.037 0.011 0.000 0.645 255 A CB -0.338 18.667 19.000 0.008 0.000 0.813 255 A HN 0.217 nan 8.150 nan 0.000 0.454 256 R N -1.904 118.600 120.500 0.007 0.000 2.668 256 R HA 0.511 4.851 4.340 -0.000 0.000 0.279 256 R C 0.613 176.917 176.300 0.007 0.000 0.976 256 R CA -0.032 56.072 56.100 0.006 0.000 0.978 256 R CB 0.492 30.796 30.300 0.006 0.000 1.133 256 R HN 0.053 nan 8.270 nan 0.000 0.484 257 T N 0.858 115.416 114.554 0.006 0.000 2.737 257 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 257 T C 1.015 175.720 174.700 0.008 0.000 1.038 257 T CA 0.857 62.961 62.100 0.006 0.000 1.144 257 T CB 0.085 68.955 68.868 0.004 0.000 0.866 257 T HN 0.295 nan 8.240 nan 0.000 0.434 258 I N 2.607 123.182 120.570 0.009 0.000 2.312 258 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 258 I C 0.398 176.522 176.117 0.010 0.000 1.031 258 I CA -0.968 60.338 61.300 0.010 0.000 1.293 258 I CB 0.678 38.684 38.000 0.011 0.000 1.403 258 I HN 0.019 nan 8.210 nan 0.000 0.484 259 R N 6.047 126.553 120.500 0.010 0.000 2.537 259 R HA 0.258 4.598 4.340 -0.000 0.000 0.281 259 R C -0.898 175.409 176.300 0.013 0.000 0.988 259 R CA 0.755 56.862 56.100 0.011 0.000 1.077 259 R CB 0.031 30.337 30.300 0.010 0.000 0.932 259 R HN 0.576 nan 8.270 nan 0.000 0.409 260 I N 7.151 127.730 120.570 0.016 0.000 2.534 260 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 260 I C -2.102 174.032 176.117 0.028 0.000 1.094 260 I CA -2.378 58.935 61.300 0.021 0.000 1.055 260 I CB 2.351 40.365 38.000 0.024 0.000 1.225 260 I HN 0.573 nan 8.210 nan 0.000 0.435 261 P HA -0.001 nan 4.420 nan 0.000 0.267 261 P C 1.092 178.429 177.300 0.062 0.000 1.201 261 P CA -0.237 62.888 63.100 0.041 0.000 0.775 261 P CB 0.660 32.381 31.700 0.036 0.000 0.854 262 V N 1.117 121.065 119.914 0.056 0.000 2.380 262 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 262 V C 2.219 178.358 176.094 0.075 0.000 1.063 262 V CA 2.166 64.495 62.300 0.047 0.000 1.055 262 V CB -1.483 30.357 31.823 0.030 0.000 0.657 262 V HN 0.745 nan 8.190 nan 0.000 0.455 263 H N 0.125 119.201 119.070 0.009 0.000 2.319 263 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 263 H C 2.291 177.639 175.328 0.033 0.000 1.092 263 H CA 2.227 58.287 56.048 0.020 0.000 1.302 263 H CB -0.106 29.667 29.762 0.019 0.000 1.373 263 H HN 0.250 nan 8.280 nan 0.000 0.497 264 M N 0.307 120.070 119.600 0.272 0.000 2.159 264 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 264 M C 2.679 179.037 176.300 0.097 0.000 1.063 264 M CA 0.647 56.064 55.300 0.195 0.000 1.110 264 M CB -1.070 31.601 32.600 0.118 0.000 1.374 264 M HN 0.104 nan 8.290 nan 0.000 0.411 265 V N 0.673 120.622 119.914 0.059 0.000 2.214 265 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 265 V C 2.295 178.384 176.094 -0.009 0.000 1.051 265 V CA 2.217 64.528 62.300 0.018 0.000 1.003 265 V CB -1.002 30.825 31.823 0.006 0.000 0.635 265 V HN 0.340 nan 8.190 nan 0.000 0.447 266 E N 0.162 120.341 120.200 -0.034 0.000 2.097 266 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 266 E C 2.249 178.808 176.600 -0.068 0.000 1.000 266 E CA 2.010 58.368 56.400 -0.070 0.000 0.804 266 E CB -0.677 28.960 29.700 -0.105 0.000 0.740 266 E HN 0.614 nan 8.360 nan 0.000 0.454 267 T N 0.473 115.003 114.554 -0.040 0.000 2.665 267 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 267 T C 1.874 176.583 174.700 0.015 0.000 1.035 267 T CA 1.343 63.466 62.100 0.038 0.000 1.151 267 T CB -0.299 68.689 68.868 0.200 0.000 0.862 267 T HN 0.119 nan 8.240 nan 0.000 0.438 268 I N 1.330 121.913 120.570 0.021 0.000 2.315 268 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 268 I C 2.464 178.552 176.117 -0.048 0.000 1.117 268 I CA 0.880 62.179 61.300 -0.002 0.000 1.404 268 I CB -0.351 37.655 38.000 0.010 0.000 1.071 268 I HN 0.236 nan 8.210 nan 0.000 0.419 269 N N 0.951 119.617 118.700 -0.058 0.000 2.058 269 N HA -0.168 4.572 4.740 -0.000 0.000 0.191 269 N C 1.833 177.281 175.510 -0.103 0.000 1.037 269 N CA 1.177 54.181 53.050 -0.077 0.000 0.848 269 N CB -0.226 38.213 38.487 -0.080 0.000 1.021 269 N HN 0.282 nan 8.380 nan 0.000 0.422 270 K N 1.343 121.668 120.400 -0.125 0.000 2.063 270 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 270 K C 2.316 178.785 176.600 -0.219 0.000 1.048 270 K CA 0.588 56.771 56.287 -0.173 0.000 0.928 270 K CB -0.751 31.625 32.500 -0.205 0.000 0.713 270 K HN 0.176 nan 8.250 nan 0.000 0.442 271 L N 0.768 121.849 121.223 -0.237 0.000 2.012 271 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 271 L C 2.705 179.491 176.870 -0.140 0.000 1.073 271 L CA 1.393 56.087 54.840 -0.243 0.000 0.748 271 L CB -0.499 41.456 42.059 -0.173 0.000 0.891 271 L HN 0.149 nan 8.230 nan 0.000 0.431 272 S N -0.481 115.159 115.700 -0.099 0.000 2.343 272 S HA -0.200 4.270 4.470 -0.000 0.000 0.219 272 S C 2.126 176.681 174.600 -0.076 0.000 1.033 272 S CA 1.360 59.519 58.200 -0.069 0.000 1.014 272 S CB -0.110 63.056 63.200 -0.058 0.000 0.915 272 S HN 0.305 nan 8.310 nan 0.000 0.435 273 R N 0.133 120.579 120.500 -0.090 0.000 2.113 273 R HA -0.098 4.242 4.340 -0.000 0.000 0.244 273 R C 2.490 178.737 176.300 -0.089 0.000 1.142 273 R CA 2.027 58.075 56.100 -0.087 0.000 0.953 273 R CB -1.206 29.036 30.300 -0.096 0.000 0.860 273 R HN 0.401 nan 8.270 nan 0.000 0.438 274 T N 0.953 115.438 114.554 -0.115 0.000 2.684 274 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 274 T C 1.994 176.647 174.700 -0.079 0.000 1.036 274 T CA 1.508 63.538 62.100 -0.117 0.000 1.148 274 T CB -0.312 68.447 68.868 -0.182 0.000 0.863 274 T HN 0.441 nan 8.240 nan 0.000 0.436 275 A N 1.778 124.559 122.820 -0.066 0.000 2.019 275 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 275 A C 2.391 179.956 177.584 -0.032 0.000 1.164 275 A CA 1.052 53.070 52.037 -0.032 0.000 0.644 275 A CB -0.333 18.660 19.000 -0.012 0.000 0.805 275 A HN 0.253 nan 8.150 nan 0.000 0.449 276 R N -0.764 119.710 120.500 -0.043 0.000 2.062 276 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 276 R C 2.124 178.401 176.300 -0.038 0.000 1.136 276 R CA 1.224 57.300 56.100 -0.039 0.000 0.948 276 R CB -0.742 29.530 30.300 -0.046 0.000 0.845 276 R HN 0.516 nan 8.270 nan 0.000 0.430 277 Q N 0.860 120.634 119.800 -0.044 0.000 2.226 277 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 277 Q C 2.196 178.176 176.000 -0.033 0.000 0.975 277 Q CA 1.034 56.813 55.803 -0.040 0.000 0.866 277 Q CB -0.050 28.661 28.738 -0.046 0.000 0.915 277 Q HN 0.377 nan 8.270 nan 0.000 0.440 278 L N -0.135 121.069 121.223 -0.032 0.000 2.240 278 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 278 L C 2.339 179.196 176.870 -0.021 0.000 1.106 278 L CA 0.680 55.505 54.840 -0.025 0.000 0.793 278 L CB -0.249 41.798 42.059 -0.021 0.000 0.927 278 L HN 0.154 nan 8.230 nan 0.000 0.446 279 Q N 0.491 120.277 119.800 -0.022 0.000 2.230 279 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 279 Q C 2.119 178.106 176.000 -0.021 0.000 0.963 279 Q CA 1.289 57.080 55.803 -0.021 0.000 0.866 279 Q CB -0.240 28.485 28.738 -0.021 0.000 0.931 279 Q HN 0.356 nan 8.270 nan 0.000 0.452 280 Q N -0.153 119.634 119.800 -0.022 0.000 2.133 280 Q HA -0.266 4.074 4.340 -0.000 0.000 0.208 280 Q C 1.060 177.048 176.000 -0.019 0.000 0.991 280 Q CA 2.223 58.014 55.803 -0.021 0.000 0.867 280 Q CB 0.138 28.862 28.738 -0.023 0.000 0.911 280 Q HN 0.482 nan 8.270 nan 0.000 0.417 281 E N -1.238 118.951 120.200 -0.018 0.000 2.444 281 E HA 0.115 4.465 4.350 -0.000 0.000 0.209 281 E C 2.025 178.616 176.600 -0.015 0.000 0.806 281 E CA 0.112 56.503 56.400 -0.016 0.000 1.240 281 E CB -0.157 29.534 29.700 -0.015 0.000 1.238 281 E HN 0.329 nan 8.360 nan 0.000 0.591 282 L N 0.045 121.259 121.223 -0.015 0.000 2.046 282 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 282 L C 1.817 178.677 176.870 -0.016 0.000 1.077 282 L CA 1.346 56.177 54.840 -0.015 0.000 0.747 282 L CB -0.701 41.349 42.059 -0.016 0.000 0.896 282 L HN 0.468 nan 8.230 nan 0.000 0.432 283 G N 0.191 108.981 108.800 -0.017 0.000 2.159 283 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.256 283 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.256 283 G C 0.263 175.151 174.900 -0.019 0.000 0.977 283 G CA -0.069 45.020 45.100 -0.017 0.000 0.652 283 G HN 0.390 nan 8.290 nan 0.000 0.531 284 R N 0.601 121.088 120.500 -0.021 0.000 2.435 284 R HA 0.321 4.661 4.340 -0.000 0.000 0.308 284 R C -0.607 175.675 176.300 -0.030 0.000 0.975 284 R CA -0.770 55.314 56.100 -0.027 0.000 0.867 284 R CB 1.192 31.476 30.300 -0.026 0.000 1.171 284 R HN 0.417 nan 8.270 nan 0.000 0.470 285 E N 4.102 124.282 120.200 -0.034 0.000 2.562 285 E HA -0.010 4.340 4.350 -0.000 0.000 0.241 285 E C -2.097 174.474 176.600 -0.049 0.000 1.136 285 E CA -1.033 55.345 56.400 -0.036 0.000 0.952 285 E CB -0.192 29.485 29.700 -0.040 0.000 0.975 285 E HN 0.167 nan 8.360 nan 0.000 0.494 286 P HA -0.211 nan 4.420 nan 0.000 0.263 286 P C -0.110 177.150 177.300 -0.067 0.000 1.145 286 P CA 0.611 63.696 63.100 -0.026 0.000 0.755 286 P CB 0.405 32.109 31.700 0.007 0.000 0.746 287 T N 2.708 117.220 114.554 -0.070 0.000 2.860 287 T HA 0.060 4.410 4.350 -0.000 0.000 0.299 287 T C 0.565 175.247 174.700 -0.031 0.000 1.045 287 T CA -0.251 61.770 62.100 -0.131 0.000 1.071 287 T CB 0.118 68.942 68.868 -0.074 0.000 0.985 287 T HN 0.185 nan 8.240 nan 0.000 0.537 288 Y N 1.411 121.724 120.300 0.022 0.000 2.715 288 Y HA 0.102 4.652 4.550 -0.000 0.000 0.332 288 Y C 2.023 177.949 175.900 0.043 0.000 1.213 288 Y CA 0.073 58.195 58.100 0.036 0.000 1.304 288 Y CB -0.891 37.599 38.460 0.049 0.000 1.041 288 Y HN 0.757 nan 8.280 nan 0.000 0.502 289 E N 0.029 120.321 120.200 0.153 0.000 2.057 289 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 289 E C 1.588 178.240 176.600 0.087 0.000 0.969 289 E CA 0.735 57.198 56.400 0.105 0.000 0.812 289 E CB 0.354 30.090 29.700 0.061 0.000 0.777 289 E HN 0.317 nan 8.360 nan 0.000 0.455 290 E N 0.872 121.110 120.200 0.065 0.000 2.038 290 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 290 E C 1.963 178.584 176.600 0.035 0.000 1.000 290 E CA 1.042 57.465 56.400 0.038 0.000 0.803 290 E CB -0.328 29.385 29.700 0.020 0.000 0.750 290 E HN 0.245 nan 8.360 nan 0.000 0.448 291 I N 0.711 121.315 120.570 0.057 0.000 2.185 291 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 291 I C 1.938 178.053 176.117 -0.003 0.000 1.088 291 I CA 1.763 63.072 61.300 0.016 0.000 1.347 291 I CB -0.555 37.495 38.000 0.083 0.000 1.041 291 I HN 0.109 nan 8.210 nan 0.000 0.415 292 A N -0.319 122.563 122.820 0.102 0.000 1.855 292 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 292 A C 2.241 179.896 177.584 0.118 0.000 1.191 292 A CA 1.878 54.026 52.037 0.186 0.000 0.613 292 A CB -0.931 18.189 19.000 0.200 0.000 0.829 292 A HN 0.555 nan 8.150 nan 0.000 0.442 293 E N -0.433 119.811 120.200 0.073 0.000 2.013 293 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 293 E C 2.340 178.943 176.600 0.005 0.000 1.018 293 E CA 1.347 57.774 56.400 0.045 0.000 0.834 293 E CB -0.357 29.361 29.700 0.031 0.000 0.770 293 E HN 0.570 nan 8.360 nan 0.000 0.459 294 A N 0.838 123.642 122.820 -0.026 0.000 1.986 294 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 294 A C 2.131 179.642 177.584 -0.120 0.000 1.171 294 A CA 1.447 53.447 52.037 -0.062 0.000 0.640 294 A CB -0.443 18.517 19.000 -0.066 0.000 0.811 294 A HN 0.234 nan 8.150 nan 0.000 0.451 295 M N -1.641 117.840 119.600 -0.198 0.000 2.059 295 M HA 0.074 4.554 4.480 -0.000 0.000 0.259 295 M C 1.360 177.525 176.300 -0.225 0.000 1.072 295 M CA 2.027 57.086 55.300 -0.402 0.000 1.117 295 M CB -0.798 31.242 32.600 -0.933 0.000 1.320 295 M HN 0.569 nan 8.290 nan 0.000 0.408 296 G N -2.024 106.758 108.800 -0.030 0.000 2.491 296 G HA2 0.061 4.021 3.960 -0.000 0.000 0.183 296 G HA3 0.061 4.021 3.960 -0.000 0.000 0.183 296 G C -2.449 172.568 174.900 0.194 0.000 1.221 296 G CA -0.361 44.792 45.100 0.089 0.000 0.996 296 G HN 0.098 nan 8.290 nan 0.000 0.474 297 P HA 0.068 nan 4.420 nan 0.000 0.208 297 P C 1.480 178.863 177.300 0.137 0.000 1.180 297 P CA 2.310 65.494 63.100 0.141 0.000 0.935 297 P CB -0.121 31.649 31.700 0.116 0.000 0.785 298 G N -2.219 106.656 108.800 0.125 0.000 3.959 298 G HA2 0.212 4.171 3.960 -0.000 0.000 0.298 298 G HA3 0.212 4.171 3.960 -0.000 0.000 0.298 298 G C -1.022 173.783 174.900 -0.158 0.000 1.211 298 G CA -0.357 44.725 45.100 -0.030 0.000 1.001 298 G HN 0.098 nan 8.290 nan 0.000 0.561 299 W N 1.225 122.525 121.300 0.000 0.000 2.390 299 W HA 0.518 5.178 4.660 -0.000 0.000 0.312 299 W C 0.077 176.596 176.519 -0.001 0.000 1.123 299 W CA -0.585 56.758 57.345 -0.004 0.000 1.202 299 W CB 1.367 30.824 29.460 -0.006 0.000 1.251 299 W HN 0.402 nan 8.180 nan 0.000 0.511 300 D N 0.316 120.790 120.400 0.123 0.000 2.559 300 D HA 0.612 5.252 4.640 -0.000 0.000 0.250 300 D C 0.767 177.124 176.300 0.095 0.000 1.135 300 D CA -0.599 53.454 54.000 0.088 0.000 0.955 300 D CB 1.187 41.995 40.800 0.013 0.000 1.442 300 D HN 0.279 nan 8.370 nan 0.000 0.471 301 A N 0.692 123.569 122.820 0.094 0.000 1.883 301 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 301 A C 1.968 179.577 177.584 0.043 0.000 1.186 301 A CA 2.479 54.585 52.037 0.115 0.000 0.624 301 A CB -1.062 18.021 19.000 0.138 0.000 0.822 301 A HN 0.762 nan 8.150 nan 0.000 0.444 302 K N -0.160 120.250 120.400 0.016 0.000 2.152 302 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 302 K C 2.092 178.651 176.600 -0.067 0.000 1.048 302 K CA 1.761 58.036 56.287 -0.019 0.000 0.933 302 K CB -0.283 32.203 32.500 -0.024 0.000 0.721 302 K HN 0.412 nan 8.250 nan 0.000 0.447 303 R N 0.731 121.181 120.500 -0.083 0.000 2.062 303 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 303 R C 1.994 178.265 176.300 -0.048 0.000 1.128 303 R CA 1.432 57.449 56.100 -0.138 0.000 0.960 303 R CB -0.196 29.916 30.300 -0.313 0.000 0.855 303 R HN 0.138 nan 8.270 nan 0.000 0.432 304 V N 1.224 121.135 119.914 -0.005 0.000 2.307 304 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 304 V C 2.279 178.061 176.094 -0.520 0.000 1.045 304 V CA 2.190 64.409 62.300 -0.136 0.000 1.024 304 V CB -0.603 31.091 31.823 -0.215 0.000 0.651 304 V HN 0.492 nan 8.190 nan 0.000 0.449 305 E N 0.243 120.050 120.200 -0.656 0.000 2.118 305 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 305 E C 2.155 178.631 176.600 -0.206 0.000 0.992 305 E CA 1.798 57.874 56.400 -0.540 0.000 0.804 305 E CB -0.105 29.520 29.700 -0.125 0.000 0.741 305 E HN 0.696 nan 8.360 nan 0.000 0.458 306 E N -0.729 119.388 120.200 -0.138 0.000 2.028 306 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 306 E C 2.135 178.708 176.600 -0.045 0.000 0.984 306 E CA 1.815 58.174 56.400 -0.068 0.000 0.800 306 E CB 0.014 29.676 29.700 -0.064 0.000 0.758 306 E HN 0.477 nan 8.360 nan 0.000 0.448 307 T N 0.747 115.283 114.554 -0.029 0.000 2.684 307 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 307 T C 1.980 176.681 174.700 0.003 0.000 1.036 307 T CA 0.976 63.091 62.100 0.025 0.000 1.148 307 T CB -0.493 68.449 68.868 0.124 0.000 0.863 307 T HN 0.094 nan 8.240 nan 0.000 0.436 308 L N 0.346 121.546 121.223 -0.038 0.000 2.275 308 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 308 L C 2.800 179.677 176.870 0.012 0.000 1.119 308 L CA 1.109 55.944 54.840 -0.009 0.000 0.790 308 L CB -0.565 41.493 42.059 -0.001 0.000 0.919 308 L HN 0.285 nan 8.230 nan 0.000 0.443 309 K N 0.458 120.858 120.400 0.000 0.000 2.155 309 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 309 K C 1.978 178.587 176.600 0.016 0.000 1.052 309 K CA 0.969 57.267 56.287 0.017 0.000 0.948 309 K CB 0.103 32.611 32.500 0.013 0.000 0.728 309 K HN 0.308 nan 8.250 nan 0.000 0.448 310 I N 0.172 120.748 120.570 0.011 0.000 2.716 310 I HA -0.091 4.079 4.170 -0.000 0.000 0.259 310 I C 2.240 178.367 176.117 0.015 0.000 1.172 310 I CA 0.350 61.658 61.300 0.013 0.000 1.478 310 I CB -0.117 37.891 38.000 0.014 0.000 1.104 310 I HN 0.027 nan 8.210 nan 0.000 0.439 311 A N 0.456 123.286 122.820 0.016 0.000 1.969 311 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 311 A C 1.288 178.880 177.584 0.012 0.000 1.169 311 A CA 0.571 52.616 52.037 0.014 0.000 0.635 311 A CB -0.504 18.505 19.000 0.014 0.000 0.810 311 A HN 0.437 nan 8.150 nan 0.000 0.445 312 Q N 1.644 121.454 119.800 0.016 0.000 2.244 312 Q HA 0.140 4.480 4.340 -0.000 0.000 0.278 312 Q C -0.410 175.596 176.000 0.009 0.000 1.093 312 Q CA 0.049 55.860 55.803 0.013 0.000 0.916 312 Q CB 0.418 29.168 28.738 0.019 0.000 1.159 312 Q HN 0.571 nan 8.270 nan 0.000 0.384 313 E N 3.794 123.997 120.200 0.003 0.000 2.416 313 E HA 0.093 4.443 4.350 -0.000 0.000 0.254 313 E C -1.773 174.829 176.600 0.004 0.000 1.241 313 E CA -1.312 55.090 56.400 0.003 0.000 0.969 313 E CB -0.082 29.616 29.700 -0.003 0.000 0.999 313 E HN 0.444 nan 8.360 nan 0.000 0.481 314 P HA 0.077 nan 4.420 nan 0.000 0.306 314 P C -0.453 176.846 177.300 -0.001 0.000 1.301 314 P CA -0.198 62.908 63.100 0.010 0.000 0.744 314 P CB 0.409 32.118 31.700 0.015 0.000 1.400 315 V N -1.024 118.893 119.914 0.005 0.000 2.864 315 V HA 0.282 4.402 4.120 -0.000 0.000 0.314 315 V C 0.301 176.386 176.094 -0.015 0.000 1.073 315 V CA -0.673 61.611 62.300 -0.027 0.000 0.956 315 V CB 1.748 33.544 31.823 -0.045 0.000 1.023 315 V HN 0.585 nan 8.190 nan 0.000 0.435 316 S N 2.834 118.500 115.700 -0.056 0.000 2.430 316 S HA 0.230 4.700 4.470 -0.000 0.000 0.282 316 S C 1.139 175.738 174.600 -0.002 0.000 1.186 316 S CA -0.372 57.800 58.200 -0.047 0.000 1.060 316 S CB -0.135 63.017 63.200 -0.079 0.000 0.966 316 S HN 0.673 nan 8.310 nan 0.000 0.501 317 L N 3.650 124.898 121.223 0.040 0.000 2.137 317 L HA -0.073 4.267 4.340 -0.000 0.000 0.213 317 L C 0.750 177.612 176.870 -0.013 0.000 1.085 317 L CA 1.327 56.229 54.840 0.104 0.000 0.760 317 L CB 0.029 42.087 42.059 -0.001 0.000 0.893 317 L HN 0.608 nan 8.230 nan 0.000 0.434 318 E N -0.264 119.807 120.200 -0.214 0.000 2.035 318 E HA 0.249 4.599 4.350 -0.000 0.000 0.271 318 E C -1.021 175.340 176.600 -0.398 0.000 0.953 318 E CA -0.021 56.026 56.400 -0.588 0.000 0.777 318 E CB 0.970 30.192 29.700 -0.797 0.000 1.104 318 E HN 0.007 nan 8.360 nan 0.000 0.408 319 T N 3.674 118.102 114.554 -0.211 0.000 2.900 319 T HA 0.460 4.810 4.350 -0.000 0.000 0.303 319 T C -2.673 172.119 174.700 0.153 0.000 1.142 319 T CA -1.730 60.348 62.100 -0.037 0.000 1.007 319 T CB 1.836 70.629 68.868 -0.125 0.000 1.156 319 T HN 0.081 nan 8.240 nan 0.000 0.490 320 P HA 0.354 nan 4.420 nan 0.000 0.276 320 P C -0.764 176.548 177.300 0.019 0.000 1.253 320 P CA -0.437 62.745 63.100 0.136 0.000 0.766 320 P CB 0.285 32.038 31.700 0.087 0.000 0.845 321 I N 1.819 122.381 120.570 -0.013 0.000 2.750 321 I HA 0.487 4.657 4.170 -0.000 0.000 0.308 321 I C 1.515 177.616 176.117 -0.026 0.000 1.016 321 I CA -0.501 60.736 61.300 -0.106 0.000 1.098 321 I CB 0.409 38.184 38.000 -0.375 0.000 1.279 321 I HN 0.609 nan 8.210 nan 0.000 0.454 322 G N 4.315 113.113 108.800 -0.003 0.000 2.632 322 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.322 322 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.322 322 G C -0.308 174.613 174.900 0.036 0.000 1.326 322 G CA 0.187 45.317 45.100 0.049 0.000 0.986 322 G HN 0.637 nan 8.290 nan 0.000 0.541 323 D N 2.134 122.562 120.400 0.047 0.000 2.357 323 D HA 0.372 5.012 4.640 -0.000 0.000 0.265 323 D C 1.532 177.846 176.300 0.024 0.000 1.334 323 D CA 0.365 54.384 54.000 0.030 0.000 0.984 323 D CB 0.470 41.289 40.800 0.031 0.000 1.077 323 D HN 0.565 nan 8.370 nan 0.000 0.514 324 E N 1.596 121.804 120.200 0.012 0.000 2.444 324 E HA -0.283 4.067 4.350 -0.000 0.000 0.205 324 E C 1.503 178.097 176.600 -0.011 0.000 1.054 324 E CA 0.640 57.043 56.400 0.005 0.000 0.873 324 E CB 0.060 29.763 29.700 0.005 0.000 0.793 324 E HN 0.391 nan 8.360 nan 0.000 0.549 325 K N 0.804 121.199 120.400 -0.007 0.000 2.117 325 K HA -0.235 4.085 4.320 -0.000 0.000 0.215 325 K C 0.641 177.209 176.600 -0.053 0.000 1.053 325 K CA 2.017 58.292 56.287 -0.020 0.000 0.935 325 K CB 0.040 32.536 32.500 -0.005 0.000 0.719 325 K HN 0.318 nan 8.250 nan 0.000 0.460 326 D N -2.304 118.058 120.400 -0.063 0.000 3.710 326 D HA 0.000 4.640 4.640 -0.000 0.000 0.274 326 D C -1.063 175.160 176.300 -0.129 0.000 1.572 326 D CA -0.212 53.702 54.000 -0.144 0.000 0.782 326 D CB -0.687 40.045 40.800 -0.113 0.000 1.393 326 D HN -0.045 nan 8.370 nan 0.000 0.671 327 S N 0.245 115.913 115.700 -0.052 0.000 2.462 327 S HA 0.662 5.132 4.470 -0.000 0.000 0.294 327 S C -0.855 173.844 174.600 0.165 0.000 1.144 327 S CA -0.414 57.834 58.200 0.080 0.000 1.088 327 S CB 0.556 63.819 63.200 0.105 0.000 1.009 327 S HN 0.254 nan 8.310 nan 0.000 0.484 328 F N 5.082 125.068 119.950 0.060 0.000 2.460 328 F HA 0.257 4.784 4.527 -0.000 0.000 0.341 328 F C 0.607 176.390 175.800 -0.028 0.000 1.130 328 F CA -0.954 57.060 58.000 0.023 0.000 0.962 328 F CB 1.173 40.216 39.000 0.071 0.000 1.171 328 F HN 0.799 nan 8.300 nan 0.000 0.436 329 Y N 3.674 123.895 120.300 -0.132 0.000 2.132 329 Y HA -0.264 4.286 4.550 -0.000 0.000 0.280 329 Y C 2.118 177.993 175.900 -0.042 0.000 1.193 329 Y CA 2.106 60.030 58.100 -0.292 0.000 1.157 329 Y CB -0.614 37.721 38.460 -0.208 0.000 0.966 329 Y HN 0.643 nan 8.280 nan 0.000 0.511 330 G N -0.862 107.945 108.800 0.012 0.000 2.462 330 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 330 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 330 G C 1.349 176.284 174.900 0.059 0.000 1.121 330 G CA 1.157 46.228 45.100 -0.049 0.000 0.758 330 G HN 0.463 nan 8.290 nan 0.000 0.559 331 D N -0.868 119.689 120.400 0.260 0.000 2.312 331 D HA 0.014 4.654 4.640 -0.000 0.000 0.211 331 D C 1.704 178.216 176.300 0.353 0.000 0.964 331 D CA 0.225 54.422 54.000 0.329 0.000 0.877 331 D CB -0.066 40.993 40.800 0.431 0.000 0.924 331 D HN 0.271 nan 8.370 nan 0.000 0.515 332 F N 0.305 120.204 119.950 -0.084 0.000 2.530 332 F HA 0.282 4.809 4.527 -0.000 0.000 0.292 332 F C 0.962 176.666 175.800 -0.161 0.000 1.109 332 F CA -0.287 57.651 58.000 -0.103 0.000 1.450 332 F CB -0.378 38.575 39.000 -0.079 0.000 1.114 332 F HN -0.143 nan 8.300 nan 0.000 0.560 333 I N 2.172 122.705 120.570 -0.061 0.000 2.533 333 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 333 I C -1.791 174.299 176.117 -0.044 0.000 1.109 333 I CA -1.613 59.625 61.300 -0.104 0.000 1.412 333 I CB -0.000 37.889 38.000 -0.185 0.000 1.396 333 I HN -0.152 nan 8.210 nan 0.000 0.543 334 P HA 0.224 nan 4.420 nan 0.000 0.289 334 P C -1.208 176.087 177.300 -0.008 0.000 1.299 334 P CA -0.421 62.670 63.100 -0.016 0.000 0.766 334 P CB 0.510 32.204 31.700 -0.010 0.000 1.226 335 D N -1.385 119.016 120.400 0.001 0.000 2.481 335 D HA 0.148 4.788 4.640 -0.000 0.000 0.244 335 D C 0.524 176.852 176.300 0.047 0.000 1.057 335 D CA -0.420 53.588 54.000 0.013 0.000 0.848 335 D CB 1.229 42.023 40.800 -0.010 0.000 1.388 335 D HN 0.229 nan 8.370 nan 0.000 0.475 336 E N 1.848 122.112 120.200 0.107 0.000 2.175 336 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 336 E C 1.445 178.148 176.600 0.171 0.000 0.934 336 E CA 0.594 57.069 56.400 0.124 0.000 0.870 336 E CB -0.308 29.460 29.700 0.114 0.000 0.838 336 E HN 0.652 nan 8.360 nan 0.000 0.474 337 H N 1.611 120.680 119.070 -0.001 0.000 2.353 337 H HA 0.045 4.601 4.556 -0.000 0.000 0.300 337 H C 0.830 176.158 175.328 -0.000 0.000 1.090 337 H CA 0.093 56.141 56.048 -0.000 0.000 1.327 337 H CB -0.081 29.681 29.762 -0.000 0.000 1.383 337 H HN -0.036 nan 8.280 nan 0.000 0.508 338 L N 3.633 124.934 121.223 0.129 0.000 2.562 338 L HA 0.062 4.402 4.340 -0.000 0.000 0.271 338 L C -2.047 174.849 176.870 0.044 0.000 1.167 338 L CA -1.657 53.217 54.840 0.057 0.000 0.917 338 L CB 0.019 42.087 42.059 0.016 0.000 1.187 338 L HN -0.079 nan 8.230 nan 0.000 0.482 339 P HA 0.005 nan 4.420 nan 0.000 0.269 339 P C -0.101 177.209 177.300 0.017 0.000 1.263 339 P CA 0.021 63.136 63.100 0.025 0.000 0.813 339 P CB 0.712 32.425 31.700 0.021 0.000 0.868 340 S N 5.652 121.361 115.700 0.014 0.000 2.549 340 S HA 0.083 4.553 4.470 -0.000 0.000 0.286 340 S C -1.066 173.539 174.600 0.007 0.000 1.314 340 S CA -0.907 57.298 58.200 0.008 0.000 1.062 340 S CB -0.048 63.156 63.200 0.006 0.000 0.865 340 S HN 0.224 nan 8.310 nan 0.000 0.498 341 P HA -0.319 nan 4.420 nan 0.000 0.235 341 P C 1.652 178.955 177.300 0.005 0.000 1.116 341 P CA 2.498 65.600 63.100 0.004 0.000 0.991 341 P CB -0.580 31.121 31.700 0.001 0.000 0.764 342 V N -2.767 117.150 119.914 0.005 0.000 2.317 342 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 342 V C 1.703 177.801 176.094 0.008 0.000 1.065 342 V CA 2.731 65.034 62.300 0.006 0.000 1.049 342 V CB -1.610 30.216 31.823 0.006 0.000 0.651 342 V HN 0.044 nan 8.190 nan 0.000 0.450 343 D N 0.955 121.360 120.400 0.009 0.000 2.213 343 D HA 0.155 4.795 4.640 -0.000 0.000 0.205 343 D C 2.276 178.582 176.300 0.010 0.000 0.961 343 D CA 1.566 55.573 54.000 0.011 0.000 0.853 343 D CB -0.321 40.487 40.800 0.013 0.000 0.967 343 D HN 0.592 nan 8.370 nan 0.000 0.496 344 A N 1.002 123.827 122.820 0.009 0.000 1.930 344 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 344 A C 2.265 179.853 177.584 0.006 0.000 1.175 344 A CA 1.866 53.907 52.037 0.008 0.000 0.627 344 A CB -0.658 18.346 19.000 0.007 0.000 0.815 344 A HN 0.215 nan 8.150 nan 0.000 0.443 345 A N -0.896 121.928 122.820 0.005 0.000 1.930 345 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 345 A C 2.275 179.861 177.584 0.004 0.000 1.175 345 A CA 2.216 54.256 52.037 0.004 0.000 0.627 345 A CB -1.230 17.772 19.000 0.004 0.000 0.815 345 A HN 0.427 nan 8.150 nan 0.000 0.443 346 T N -0.170 114.388 114.554 0.006 0.000 2.555 346 T HA -0.240 4.110 4.350 -0.000 0.000 0.264 346 T C 2.042 176.744 174.700 0.004 0.000 1.083 346 T CA 1.996 64.100 62.100 0.007 0.000 1.179 346 T CB -0.376 68.498 68.868 0.010 0.000 0.863 346 T HN 0.532 nan 8.240 nan 0.000 0.412 347 Q N 0.501 120.304 119.800 0.005 0.000 2.308 347 Q HA -0.062 4.278 4.340 -0.000 0.000 0.209 347 Q C 2.501 178.502 176.000 0.001 0.000 0.985 347 Q CA 1.097 56.902 55.803 0.003 0.000 0.881 347 Q CB -0.203 28.538 28.738 0.005 0.000 0.917 347 Q HN 0.379 nan 8.270 nan 0.000 0.443 348 S N -0.392 115.309 115.700 0.001 0.000 2.335 348 S HA -0.065 4.405 4.470 -0.000 0.000 0.217 348 S C 1.661 176.259 174.600 -0.002 0.000 1.032 348 S CA 0.755 58.955 58.200 0.000 0.000 0.985 348 S CB -0.242 62.959 63.200 0.001 0.000 0.896 348 S HN 0.338 nan 8.310 nan 0.000 0.445 349 L N 1.571 122.793 121.223 -0.003 0.000 2.056 349 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 349 L C 2.324 179.188 176.870 -0.010 0.000 1.078 349 L CA 0.999 55.836 54.840 -0.006 0.000 0.749 349 L CB -0.321 41.735 42.059 -0.005 0.000 0.901 349 L HN 0.340 nan 8.230 nan 0.000 0.433 350 L N -1.405 119.812 121.223 -0.010 0.000 1.971 350 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 350 L C 2.479 179.340 176.870 -0.015 0.000 1.072 350 L CA 2.214 57.045 54.840 -0.015 0.000 0.758 350 L CB -0.364 41.690 42.059 -0.010 0.000 0.889 350 L HN 0.191 nan 8.230 nan 0.000 0.433 351 S N -0.269 115.426 115.700 -0.009 0.000 2.382 351 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 351 S C 1.703 176.299 174.600 -0.007 0.000 1.027 351 S CA 1.631 59.827 58.200 -0.007 0.000 0.991 351 S CB -0.349 62.848 63.200 -0.003 0.000 0.823 351 S HN 0.547 nan 8.310 nan 0.000 0.469 352 E N 0.616 120.812 120.200 -0.007 0.000 2.107 352 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 352 E C 2.071 178.666 176.600 -0.008 0.000 0.982 352 E CA 0.843 57.239 56.400 -0.006 0.000 0.809 352 E CB -0.031 29.666 29.700 -0.005 0.000 0.756 352 E HN 0.249 nan 8.360 nan 0.000 0.459 353 E N 0.586 120.778 120.200 -0.014 0.000 2.112 353 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 353 E C 1.901 178.488 176.600 -0.022 0.000 0.979 353 E CA 0.502 56.890 56.400 -0.020 0.000 0.814 353 E CB 0.034 29.715 29.700 -0.031 0.000 0.762 353 E HN 0.164 nan 8.360 nan 0.000 0.460 354 L N 0.313 121.522 121.223 -0.023 0.000 2.141 354 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 354 L C 2.403 179.267 176.870 -0.010 0.000 1.094 354 L CA 1.166 55.993 54.840 -0.022 0.000 0.763 354 L CB -0.214 41.832 42.059 -0.021 0.000 0.908 354 L HN 0.159 nan 8.230 nan 0.000 0.437 355 E N 0.068 120.264 120.200 -0.007 0.000 2.152 355 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 355 E C 2.104 178.706 176.600 0.003 0.000 0.983 355 E CA 0.700 57.099 56.400 -0.001 0.000 0.818 355 E CB 0.264 29.964 29.700 -0.001 0.000 0.758 355 E HN 0.347 nan 8.360 nan 0.000 0.467 356 K N 0.037 120.439 120.400 0.003 0.000 2.025 356 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 356 K C 2.126 178.740 176.600 0.023 0.000 1.049 356 K CA 0.986 57.280 56.287 0.011 0.000 0.933 356 K CB -0.123 32.382 32.500 0.009 0.000 0.714 356 K HN 0.058 nan 8.250 nan 0.000 0.438 357 A N 1.752 124.583 122.820 0.019 0.000 1.898 357 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 357 A C 2.147 179.752 177.584 0.036 0.000 1.181 357 A CA 0.975 53.034 52.037 0.037 0.000 0.620 357 A CB -0.649 18.357 19.000 0.009 0.000 0.819 357 A HN 0.234 nan 8.150 nan 0.000 0.442 358 L N 0.549 121.783 121.223 0.018 0.000 2.187 358 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 358 L C 2.866 179.745 176.870 0.014 0.000 1.100 358 L CA 1.779 56.627 54.840 0.014 0.000 0.765 358 L CB -0.191 41.872 42.059 0.006 0.000 0.904 358 L HN 0.668 nan 8.230 nan 0.000 0.437 359 S N -0.972 114.737 115.700 0.015 0.000 2.356 359 S HA -0.066 4.404 4.470 -0.000 0.000 0.219 359 S C 1.229 175.836 174.600 0.011 0.000 1.036 359 S CA 0.189 58.396 58.200 0.011 0.000 0.965 359 S CB -0.218 62.988 63.200 0.010 0.000 0.864 359 S HN 0.178 nan 8.310 nan 0.000 0.471 360 K N 2.346 122.756 120.400 0.017 0.000 3.000 360 K HA 0.436 4.756 4.320 -0.000 0.000 0.265 360 K C -0.560 176.042 176.600 0.004 0.000 1.260 360 K CA 0.116 56.407 56.287 0.007 0.000 1.209 360 K CB -0.991 31.514 32.500 0.009 0.000 1.484 360 K HN 0.478 nan 8.250 nan 0.000 0.283 361 L N -0.772 120.454 121.223 0.005 0.000 2.506 361 L HA 0.193 4.533 4.340 -0.000 0.000 0.257 361 L C -0.364 176.507 176.870 0.001 0.000 0.964 361 L CA -0.579 54.264 54.840 0.006 0.000 0.836 361 L CB 2.410 44.482 42.059 0.022 0.000 1.384 361 L HN 0.088 nan 8.230 nan 0.000 0.410 362 S N 0.766 116.465 115.700 -0.001 0.000 2.558 362 S HA -0.024 4.446 4.470 -0.000 0.000 0.291 362 S C 0.958 175.559 174.600 0.001 0.000 1.306 362 S CA 0.294 58.493 58.200 -0.002 0.000 1.056 362 S CB 0.404 63.603 63.200 -0.002 0.000 0.836 362 S HN 0.720 nan 8.310 nan 0.000 0.504 363 E N 4.021 124.221 120.200 0.000 0.000 2.476 363 E HA 0.073 4.423 4.350 -0.000 0.000 0.191 363 E C 1.579 178.179 176.600 0.001 0.000 1.064 363 E CA -0.101 56.300 56.400 0.001 0.000 0.866 363 E CB 0.173 29.873 29.700 0.000 0.000 0.952 363 E HN 0.533 nan 8.360 nan 0.000 0.492 364 R N 0.670 121.171 120.500 0.001 0.000 2.055 364 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 364 R C 1.232 177.532 176.300 0.001 0.000 1.135 364 R CA 1.434 57.534 56.100 0.000 0.000 0.959 364 R CB 0.181 30.480 30.300 -0.001 0.000 0.854 364 R HN 0.053 nan 8.270 nan 0.000 0.431 365 E N -1.255 118.946 120.200 0.002 0.000 2.539 365 E HA 0.203 4.553 4.350 -0.000 0.000 0.215 365 E C 0.935 177.538 176.600 0.005 0.000 0.965 365 E CA 0.208 56.610 56.400 0.003 0.000 1.019 365 E CB 0.976 30.678 29.700 0.003 0.000 1.059 365 E HN 0.287 nan 8.360 nan 0.000 0.496 366 A N 0.506 123.329 122.820 0.006 0.000 1.903 366 A HA -0.055 4.265 4.320 -0.000 0.000 0.213 366 A C 1.778 179.365 177.584 0.006 0.000 1.185 366 A CA 0.910 52.952 52.037 0.008 0.000 0.628 366 A CB -0.147 18.860 19.000 0.011 0.000 0.830 366 A HN 0.128 nan 8.150 nan 0.000 0.446 367 M N -0.210 119.393 119.600 0.004 0.000 2.229 367 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 367 M C 2.107 178.408 176.300 0.002 0.000 1.063 367 M CA 0.885 56.187 55.300 0.003 0.000 1.114 367 M CB -1.623 30.978 32.600 0.002 0.000 1.387 367 M HN 0.170 nan 8.290 nan 0.000 0.420 368 V N 0.881 120.796 119.914 0.002 0.000 2.255 368 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 368 V C 2.457 178.552 176.094 0.002 0.000 1.051 368 V CA 1.688 63.989 62.300 0.002 0.000 1.018 368 V CB -0.595 31.229 31.823 0.002 0.000 0.641 368 V HN 0.400 nan 8.190 nan 0.000 0.445 369 L N -0.434 120.791 121.223 0.003 0.000 2.395 369 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 369 L C 2.466 179.337 176.870 0.002 0.000 1.130 369 L CA 0.905 55.746 54.840 0.003 0.000 0.826 369 L CB -0.542 41.520 42.059 0.004 0.000 0.941 369 L HN 0.226 nan 8.230 nan 0.000 0.451 370 K N 1.063 121.465 120.400 0.002 0.000 2.076 370 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 370 K C 1.951 178.551 176.600 0.000 0.000 1.051 370 K CA 1.307 57.595 56.287 0.001 0.000 0.949 370 K CB 0.028 32.529 32.500 0.002 0.000 0.726 370 K HN 0.295 nan 8.250 nan 0.000 0.443 371 L N 0.216 121.440 121.223 0.001 0.000 2.068 371 L HA -0.005 4.335 4.340 -0.000 0.000 0.204 371 L C 2.703 179.573 176.870 0.000 0.000 1.076 371 L CA 0.670 55.511 54.840 0.001 0.000 0.753 371 L CB -0.396 41.663 42.059 0.001 0.000 0.910 371 L HN 0.039 nan 8.230 nan 0.000 0.439 372 R N 0.504 121.005 120.500 0.001 0.000 2.120 372 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 372 R C 2.166 178.466 176.300 0.000 0.000 1.123 372 R CA 1.441 57.541 56.100 0.001 0.000 0.975 372 R CB -0.021 30.280 30.300 0.001 0.000 0.866 372 R HN 0.114 nan 8.270 nan 0.000 0.446 373 K N -2.050 118.350 120.400 0.000 0.000 2.141 373 K HA 0.208 4.528 4.320 -0.000 0.000 0.202 373 K C 1.785 178.384 176.600 -0.001 0.000 1.045 373 K CA 1.313 57.600 56.287 -0.000 0.000 0.971 373 K CB -0.193 32.307 32.500 -0.000 0.000 0.795 373 K HN 0.307 nan 8.250 nan 0.000 0.459 374 G N 0.609 109.409 108.800 -0.001 0.000 2.838 374 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.210 374 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.210 374 G C 1.306 176.206 174.900 -0.001 0.000 1.153 374 G CA 0.067 45.166 45.100 -0.002 0.000 0.778 374 G HN 0.124 nan 8.290 nan 0.000 0.539 375 L N -0.614 120.609 121.223 -0.000 0.000 2.445 375 L HA 0.523 4.863 4.340 -0.000 0.000 0.207 375 L C 2.018 178.888 176.870 -0.000 0.000 1.053 375 L CA 1.082 55.922 54.840 -0.000 0.000 0.841 375 L CB 0.010 42.069 42.059 0.000 0.000 1.074 375 L HN 0.160 nan 8.230 nan 0.000 0.479 376 I N -1.697 118.873 120.570 -0.000 0.000 3.818 376 I HA 0.244 4.414 4.170 -0.000 0.000 0.242 376 I C -0.536 175.580 176.117 -0.001 0.000 1.111 376 I CA -0.220 61.080 61.300 -0.000 0.000 1.576 376 I CB 0.329 38.329 38.000 -0.000 0.000 1.572 376 I HN -0.073 nan 8.210 nan 0.000 0.450 377 D N 0.580 120.979 120.400 -0.001 0.000 2.927 377 D HA 0.376 5.016 4.640 -0.000 0.000 0.219 377 D C -0.296 176.003 176.300 -0.001 0.000 1.248 377 D CA 0.212 54.212 54.000 -0.001 0.000 0.861 377 D CB 2.090 42.889 40.800 -0.001 0.000 1.677 377 D HN 0.366 nan 8.370 nan 0.000 0.511 385 E N 0.264 120.464 120.200 0.001 0.000 2.119 385 E HA -0.204 4.146 4.350 -0.000 0.000 0.221 385 E C 2.561 179.161 176.600 0.001 0.000 1.062 385 E CA 3.930 60.331 56.400 0.001 0.000 0.894 385 E CB -1.529 28.172 29.700 0.001 0.000 0.785 385 E HN 1.899 nan 8.360 nan 0.000 0.472 386 V N 0.595 120.509 119.914 0.000 0.000 2.255 386 V HA 0.106 4.226 4.120 -0.000 0.000 0.247 386 V C 2.902 178.996 176.094 0.000 0.000 1.051 386 V CA 3.263 65.563 62.300 0.000 0.000 1.018 386 V CB -1.219 30.604 31.823 -0.000 0.000 0.641 386 V HN 0.690 nan 8.190 nan 0.000 0.445 387 G N -1.167 107.633 108.800 0.000 0.000 2.776 387 G HA2 0.213 4.173 3.960 -0.000 0.000 0.209 387 G HA3 0.213 4.173 3.960 -0.000 0.000 0.209 387 G C 1.462 176.362 174.900 0.000 0.000 1.145 387 G CA 1.271 46.371 45.100 0.000 0.000 0.791 387 G HN 1.001 nan 8.290 nan 0.000 0.530 388 A N -0.141 122.679 122.820 0.000 0.000 1.903 388 A HA 0.555 4.875 4.320 -0.000 0.000 0.213 388 A C 1.247 178.832 177.584 0.001 0.000 1.185 388 A CA 0.898 52.936 52.037 0.001 0.000 0.628 388 A CB -0.373 18.628 19.000 0.001 0.000 0.830 388 A HN 0.672 nan 8.150 nan 0.000 0.446 389 F N -1.874 118.076 119.950 0.000 0.000 2.385 389 F HA 0.536 5.063 4.527 -0.000 0.000 0.336 389 F C 1.404 177.204 175.800 0.000 0.000 1.100 389 F CA -1.388 56.613 58.000 0.000 0.000 1.116 389 F CB -0.890 38.110 39.000 0.000 0.000 1.166 389 F HN 0.568 nan 8.300 nan 0.000 0.511 390 F N 1.308 121.257 119.950 -0.000 0.000 1.995 390 F HA 0.188 4.715 4.527 -0.000 0.000 0.300 390 F C 2.163 177.963 175.800 -0.000 0.000 1.256 390 F CA 2.498 60.498 58.000 -0.000 0.000 1.191 390 F CB -1.208 37.792 39.000 -0.000 0.000 0.950 390 F HN 0.901 nan 8.300 nan 0.000 0.517 391 G N -0.732 108.068 108.800 -0.001 0.000 2.576 391 G HA2 0.329 4.289 3.960 -0.000 0.000 0.210 391 G HA3 0.329 4.289 3.960 -0.000 0.000 0.210 391 G C 0.561 175.461 174.900 -0.001 0.000 1.143 391 G CA 0.733 45.832 45.100 -0.001 0.000 0.819 391 G HN 0.698 nan 8.290 nan 0.000 0.534 392 V N 3.126 123.040 119.914 -0.001 0.000 2.529 392 V HA 0.191 4.311 4.120 -0.000 0.000 0.292 392 V C 1.006 177.099 176.094 -0.001 0.000 1.028 392 V CA -0.333 61.966 62.300 -0.001 0.000 1.074 392 V CB 0.181 32.003 31.823 -0.001 0.000 0.958 392 V HN 0.252 nan 8.190 nan 0.000 0.481 393 T N 4.318 118.871 114.554 -0.001 0.000 2.652 393 T HA 0.048 4.398 4.350 -0.000 0.000 0.345 393 T C 1.406 176.106 174.700 -0.001 0.000 1.051 393 T CA -0.161 61.939 62.100 -0.001 0.000 1.021 393 T CB 0.478 69.345 68.868 -0.001 0.000 1.141 393 T HN 0.648 nan 8.240 nan 0.000 0.518 394 R N 0.211 120.711 120.500 -0.001 0.000 2.081 394 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 394 R C 2.517 178.816 176.300 -0.001 0.000 1.131 394 R CA 1.529 57.629 56.100 -0.000 0.000 0.960 394 R CB -0.291 30.009 30.300 -0.000 0.000 0.856 394 R HN 0.672 nan 8.270 nan 0.000 0.436 395 E N 0.274 120.473 120.200 -0.001 0.000 2.160 395 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 395 E C 1.672 178.271 176.600 -0.002 0.000 0.991 395 E CA 1.381 57.780 56.400 -0.002 0.000 0.810 395 E CB 0.074 29.773 29.700 -0.002 0.000 0.742 395 E HN 0.061 nan 8.360 nan 0.000 0.466 396 R N -0.256 120.243 120.500 -0.002 0.000 2.200 396 R HA 0.122 4.462 4.340 -0.000 0.000 0.208 396 R C 2.248 178.548 176.300 -0.001 0.000 1.033 396 R CA 0.497 56.596 56.100 -0.002 0.000 1.000 396 R CB -0.263 30.036 30.300 -0.002 0.000 0.906 396 R HN 0.361 nan 8.270 nan 0.000 0.462 397 I N 0.278 120.847 120.570 -0.001 0.000 2.094 397 I HA -0.260 3.910 4.170 -0.000 0.000 0.234 397 I C 2.742 178.860 176.117 0.001 0.000 1.063 397 I CA 1.180 62.480 61.300 0.000 0.000 1.328 397 I CB -0.449 37.552 38.000 0.001 0.000 1.058 397 I HN 0.066 nan 8.210 nan 0.000 0.400 398 R N 0.880 121.381 120.500 0.000 0.000 2.117 398 R HA -0.252 4.088 4.340 -0.000 0.000 0.243 398 R C 2.336 178.636 176.300 -0.000 0.000 1.143 398 R CA 1.699 57.799 56.100 0.001 0.000 0.968 398 R CB -0.323 29.977 30.300 -0.000 0.000 0.863 398 R HN 0.440 nan 8.270 nan 0.000 0.444 399 Q N 0.602 120.400 119.800 -0.002 0.000 1.975 399 Q HA -0.182 4.158 4.340 -0.000 0.000 0.205 399 Q C 2.167 178.165 176.000 -0.003 0.000 0.990 399 Q CA 2.280 58.081 55.803 -0.003 0.000 0.845 399 Q CB -0.124 28.612 28.738 -0.004 0.000 0.913 399 Q HN 0.499 nan 8.270 nan 0.000 0.420 400 I N 0.057 120.627 120.570 -0.001 0.000 2.584 400 I HA -0.159 4.011 4.170 -0.000 0.000 0.255 400 I C 2.435 178.555 176.117 0.004 0.000 1.145 400 I CA 0.673 61.974 61.300 0.001 0.000 1.462 400 I CB -0.358 37.643 38.000 0.001 0.000 1.102 400 I HN 0.301 nan 8.210 nan 0.000 0.433 401 E N 2.061 122.263 120.200 0.004 0.000 2.021 401 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 401 E C 1.865 178.471 176.600 0.010 0.000 1.015 401 E CA 1.901 58.306 56.400 0.007 0.000 0.824 401 E CB -0.020 29.684 29.700 0.006 0.000 0.762 401 E HN 0.412 nan 8.360 nan 0.000 0.454 402 N N 0.076 118.780 118.700 0.007 0.000 2.309 402 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 402 N C 1.607 177.120 175.510 0.005 0.000 1.018 402 N CA 0.659 53.713 53.050 0.007 0.000 0.876 402 N CB -0.009 38.480 38.487 0.003 0.000 0.972 402 N HN 0.106 nan 8.380 nan 0.000 0.434 403 K N 1.056 121.457 120.400 0.002 0.000 2.166 403 K HA 0.184 4.504 4.320 -0.000 0.000 0.201 403 K C 1.817 178.424 176.600 0.010 0.000 1.052 403 K CA 0.378 56.663 56.287 -0.002 0.000 0.969 403 K CB -0.010 32.486 32.500 -0.008 0.000 0.761 403 K HN 0.056 nan 8.250 nan 0.000 0.459 404 A N 0.765 123.594 122.820 0.015 0.000 1.930 404 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 404 A C 2.026 179.638 177.584 0.046 0.000 1.176 404 A CA 0.829 52.882 52.037 0.027 0.000 0.632 404 A CB -0.357 18.655 19.000 0.020 0.000 0.819 404 A HN 0.138 nan 8.150 nan 0.000 0.445 405 L N -0.184 121.061 121.223 0.037 0.000 2.191 405 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 405 L C 2.555 179.465 176.870 0.065 0.000 1.103 405 L CA 1.619 56.484 54.840 0.042 0.000 0.769 405 L CB -0.492 41.584 42.059 0.028 0.000 0.908 405 L HN 0.339 nan 8.230 nan 0.000 0.438 406 R N -1.542 118.998 120.500 0.066 0.000 2.112 406 R HA -0.034 4.306 4.340 -0.000 0.000 0.216 406 R C 2.096 178.485 176.300 0.149 0.000 1.080 406 R CA 0.358 56.517 56.100 0.098 0.000 0.996 406 R CB -0.042 30.271 30.300 0.022 0.000 0.902 406 R HN 0.064 nan 8.270 nan 0.000 0.449 407 K N 0.691 121.158 120.400 0.113 0.000 2.097 407 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 407 K C 1.858 178.649 176.600 0.318 0.000 1.050 407 K CA 0.814 57.196 56.287 0.158 0.000 0.938 407 K CB -0.141 32.405 32.500 0.076 0.000 0.718 407 K HN 0.012 nan 8.250 nan 0.000 0.442 408 L N 1.232 122.611 121.223 0.260 0.000 2.056 408 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 408 L C 2.126 179.031 176.870 0.059 0.000 1.078 408 L CA 1.903 56.919 54.840 0.294 0.000 0.749 408 L CB -0.917 41.232 42.059 0.149 0.000 0.901 408 L HN 0.340 nan 8.230 nan 0.000 0.433 409 K N -1.641 118.809 120.400 0.083 0.000 2.062 409 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 409 K C 2.104 178.704 176.600 -0.001 0.000 1.051 409 K CA 1.319 57.613 56.287 0.012 0.000 0.941 409 K CB -0.580 31.966 32.500 0.077 0.000 0.719 409 K HN 0.036 nan 8.250 nan 0.000 0.440 410 Y N 1.943 122.244 120.300 0.001 0.000 2.457 410 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 410 Y C 2.500 178.423 175.900 0.039 0.000 1.125 410 Y CA 1.391 59.501 58.100 0.016 0.000 1.254 410 Y CB -0.047 38.435 38.460 0.037 0.000 1.012 410 Y HN 0.398 nan 8.280 nan 0.000 0.555 411 H N -1.981 117.146 119.070 0.096 0.000 2.525 411 H HA 0.049 4.605 4.556 -0.000 0.000 0.275 411 H C 1.072 176.397 175.328 -0.006 0.000 0.984 411 H CA 1.033 57.106 56.048 0.042 0.000 1.264 411 H CB 0.095 29.881 29.762 0.040 0.000 1.432 411 H HN 0.186 nan 8.280 nan 0.000 0.549 412 E N 1.183 121.044 120.200 -0.565 0.000 2.418 412 E HA -0.004 4.346 4.350 -0.000 0.000 0.197 412 E C 1.938 178.394 176.600 -0.241 0.000 1.026 412 E CA 0.302 56.440 56.400 -0.437 0.000 0.862 412 E CB 0.227 29.683 29.700 -0.406 0.000 0.799 412 E HN 0.450 nan 8.360 nan 0.000 0.518 413 S N 0.319 115.886 115.700 -0.222 0.000 2.425 413 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 413 S C 1.770 176.286 174.600 -0.139 0.000 1.024 413 S CA 0.261 58.326 58.200 -0.224 0.000 0.951 413 S CB 0.311 63.267 63.200 -0.406 0.000 0.796 413 S HN 0.198 nan 8.310 nan 0.000 0.498 414 R N 1.450 121.899 120.500 -0.085 0.000 2.089 414 R HA 0.022 4.362 4.340 -0.000 0.000 0.222 414 R C 0.687 176.969 176.300 -0.030 0.000 1.151 414 R CA 1.076 57.160 56.100 -0.026 0.000 0.908 414 R CB -1.490 28.832 30.300 0.036 0.000 0.813 414 R HN 0.201 nan 8.270 nan 0.000 0.440 415 T N 3.947 118.487 114.554 -0.022 0.000 3.781 415 T HA 0.120 4.470 4.350 -0.000 0.000 0.286 415 T C 0.187 174.851 174.700 -0.060 0.000 1.277 415 T CA -0.160 61.926 62.100 -0.023 0.000 1.136 415 T CB -0.069 68.804 68.868 0.007 0.000 1.202 415 T HN -0.011 nan 8.240 nan 0.000 0.884 416 R N 3.050 123.514 120.500 -0.059 0.000 2.543 416 R HA 0.055 4.395 4.340 -0.000 0.000 0.348 416 R C 0.895 177.159 176.300 -0.059 0.000 0.981 416 R CA 0.456 56.514 56.100 -0.070 0.000 1.019 416 R CB -0.027 30.241 30.300 -0.052 0.000 0.944 416 R HN 0.666 nan 8.270 nan 0.000 0.425 417 K N 1.327 121.679 120.400 -0.079 0.000 2.443 417 K HA 0.090 4.410 4.320 -0.000 0.000 0.200 417 K C 1.268 177.820 176.600 -0.079 0.000 1.278 417 K CA -0.040 56.208 56.287 -0.065 0.000 0.925 417 K CB 0.259 32.722 32.500 -0.061 0.000 1.225 417 K HN 0.060 nan 8.250 nan 0.000 0.514 418 L N 1.490 122.642 121.223 -0.118 0.000 2.249 418 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 418 L C 2.205 178.959 176.870 -0.193 0.000 1.090 418 L CA 1.084 55.832 54.840 -0.154 0.000 0.802 418 L CB -0.461 41.487 42.059 -0.185 0.000 0.947 418 L HN 0.049 nan 8.230 nan 0.000 0.453 419 R N 2.005 122.410 120.500 -0.158 0.000 2.168 419 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 419 R C -0.111 176.183 176.300 -0.009 0.000 1.123 419 R CA 2.000 58.030 56.100 -0.116 0.000 0.928 419 R CB -1.814 28.458 30.300 -0.045 0.000 0.873 419 R HN 0.411 nan 8.270 nan 0.000 0.434 420 D N 1.376 121.797 120.400 0.034 0.000 2.376 420 D HA 0.002 4.642 4.640 -0.000 0.000 0.278 420 D C -0.596 175.781 176.300 0.128 0.000 1.384 420 D CA 0.133 54.200 54.000 0.112 0.000 1.033 420 D CB -0.744 40.088 40.800 0.053 0.000 1.102 420 D HN 0.084 nan 8.370 nan 0.000 0.530 421 F N 1.571 121.507 119.950 -0.024 0.000 2.473 421 F HA -0.099 4.428 4.527 -0.000 0.000 0.405 421 F C 1.489 177.279 175.800 -0.017 0.000 0.988 421 F CA 0.050 58.038 58.000 -0.021 0.000 1.096 421 F CB 0.070 39.059 39.000 -0.018 0.000 0.944 421 F HN 0.416 nan 8.300 nan 0.000 0.530 422 L N 1.804 123.064 121.223 0.062 0.000 2.633 422 L HA -0.068 4.272 4.340 -0.000 0.000 0.235 422 L C 0.922 177.834 176.870 0.070 0.000 1.163 422 L CA 0.899 55.765 54.840 0.042 0.000 0.859 422 L CB -0.465 41.590 42.059 -0.008 0.000 0.973 422 L HN 0.626 nan 8.230 nan 0.000 0.451 423 D N 0.000 120.481 120.400 0.136 0.000 6.856 423 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 423 D CA 0.000 54.078 54.000 0.130 0.000 0.868 423 D CB 0.000 40.860 40.800 0.100 0.000 0.688 423 D HN 0.000 nan 8.370 nan 0.000 0.683