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 2wgz_1_B DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 82 K HA 0.000 nan 4.320 nan 0.000 0.191 82 K C 0.000 176.626 176.600 0.044 0.000 0.988 82 K CA 0.000 56.360 56.287 0.121 0.000 0.838 82 K CB 0.000 32.555 32.500 0.092 0.000 1.064 83 L N 3.881 125.067 121.223 -0.061 0.000 2.433 83 L HA 0.271 4.777 4.340 0.276 0.000 0.275 83 L C -0.040 176.803 176.870 -0.044 0.000 1.128 83 L CA 0.743 55.420 54.840 -0.272 0.000 0.875 83 L CB 0.251 41.825 42.059 -0.809 0.000 1.171 83 L HN 0.434 nan 8.230 nan 0.000 0.463 84 K N 3.877 124.286 120.400 0.015 0.000 2.156 84 K HA 0.151 4.637 4.320 0.276 0.000 0.254 84 K C 0.756 177.416 176.600 0.099 0.000 0.950 84 K CA -0.704 55.620 56.287 0.062 0.000 0.849 84 K CB 1.817 34.339 32.500 0.038 0.000 1.100 84 K HN 0.633 nan 8.250 nan 0.000 0.434 85 L N 3.417 124.676 121.223 0.060 0.000 2.021 85 L HA -0.259 4.247 4.340 0.276 0.000 0.215 85 L C 2.096 178.783 176.870 -0.304 0.000 1.074 85 L CA 2.705 57.476 54.840 -0.115 0.000 0.760 85 L CB -0.757 41.246 42.059 -0.093 0.000 0.889 85 L HN 0.846 nan 8.230 nan 0.000 0.433 86 S N -1.907 113.724 115.700 -0.115 0.000 2.442 86 S HA -0.163 4.472 4.470 0.276 0.000 0.236 86 S C 1.626 176.189 174.600 -0.061 0.000 1.007 86 S CA 0.977 59.123 58.200 -0.090 0.000 0.965 86 S CB -0.771 62.415 63.200 -0.024 0.000 0.773 86 S HN 0.531 nan 8.310 nan 0.000 0.504 87 D N 1.213 121.610 120.400 -0.005 0.000 2.178 87 D HA -0.072 4.734 4.640 0.276 0.000 0.201 87 D C 1.629 178.027 176.300 0.165 0.000 0.980 87 D CA 1.429 55.477 54.000 0.080 0.000 0.842 87 D CB -0.218 40.645 40.800 0.105 0.000 0.948 87 D HN 0.905 nan 8.370 nan 0.000 0.472 88 W N -1.524 119.814 121.300 0.065 0.000 2.520 88 W HA 0.287 5.110 4.660 0.271 0.000 0.272 88 W C -0.484 176.159 176.519 0.207 0.000 0.984 88 W CA -0.517 56.895 57.345 0.111 0.000 1.314 88 W CB -0.041 29.473 29.460 0.090 0.000 0.945 88 W HN -0.242 nan 8.180 nan 0.000 0.596 89 F N 4.393 123.865 119.950 -0.797 0.000 2.449 89 F HA 0.496 5.187 4.527 0.272 0.000 0.342 89 F C -0.779 174.785 175.800 -0.393 0.000 1.127 89 F CA -1.222 56.279 58.000 -0.830 0.000 0.975 89 F CB 1.006 39.054 39.000 -1.588 0.000 1.146 89 F HN -0.243 nan 8.300 nan 0.000 0.444 90 N N 8.461 126.697 118.700 -0.773 0.000 2.626 90 N HA 0.360 5.265 4.740 0.276 0.000 0.249 90 N C -2.189 172.837 175.510 -0.807 0.000 1.021 90 N CA -2.512 50.193 53.050 -0.575 0.000 0.886 90 N CB 1.770 40.118 38.487 -0.232 0.000 1.149 90 N HN 0.263 nan 8.380 nan 0.000 0.517 91 P HA -0.061 nan 4.420 nan 0.000 0.221 91 P C 1.099 178.079 177.300 -0.533 0.000 1.150 91 P CA 0.922 63.529 63.100 -0.822 0.000 0.800 91 P CB 0.005 31.284 31.700 -0.702 0.000 0.787 92 F N 0.718 120.521 119.950 -0.247 0.000 2.408 92 F HA -0.070 4.625 4.527 0.279 0.000 0.300 92 F C 2.180 177.884 175.800 -0.161 0.000 1.090 92 F CA 0.730 58.629 58.000 -0.168 0.000 1.427 92 F CB -0.654 38.264 39.000 -0.136 0.000 1.070 92 F HN -0.162 nan 8.300 nan 0.000 0.549 93 K N 0.203 120.568 120.400 -0.059 0.000 2.288 93 K HA 0.008 4.494 4.320 0.276 0.000 0.201 93 K C 0.464 177.004 176.600 -0.100 0.000 1.048 93 K CA 0.741 56.981 56.287 -0.079 0.000 0.956 93 K CB -0.010 32.423 32.500 -0.111 0.000 0.746 93 K HN 0.124 nan 8.250 nan 0.000 0.461 94 R N 0.807 121.221 120.500 -0.143 0.000 2.629 94 R HA 0.161 4.667 4.340 0.276 0.000 0.277 94 R C -2.122 174.049 176.300 -0.214 0.000 1.637 94 R CA -1.444 54.541 56.100 -0.190 0.000 1.663 94 R CB 0.820 30.981 30.300 -0.231 0.000 1.228 94 R HN -0.026 nan 8.270 nan 0.000 0.632 95 P HA -0.006 nan 4.420 nan 0.000 0.229 95 P C 0.380 177.606 177.300 -0.123 0.000 1.160 95 P CA 0.712 63.752 63.100 -0.100 0.000 0.777 95 P CB 0.689 32.372 31.700 -0.028 0.000 0.814 96 E N -0.133 119.966 120.200 -0.168 0.000 2.463 96 E HA 0.093 4.609 4.350 0.276 0.000 0.193 96 E C 0.570 177.039 176.600 -0.219 0.000 1.041 96 E CA -0.200 56.105 56.400 -0.157 0.000 0.879 96 E CB 0.011 29.631 29.700 -0.134 0.000 0.997 96 E HN 0.192 nan 8.360 nan 0.000 0.478 97 V N -3.552 116.161 119.914 -0.335 0.000 3.126 97 V HA 0.539 4.825 4.120 0.276 0.000 0.314 97 V C 0.231 176.200 176.094 -0.208 0.000 1.138 97 V CA -1.338 60.707 62.300 -0.425 0.000 1.034 97 V CB 1.825 32.892 31.823 -1.261 0.000 1.075 97 V HN -0.297 nan 8.190 nan 0.000 0.442 98 V N 2.331 122.268 119.914 0.037 0.000 2.479 98 V HA 0.306 4.592 4.120 0.276 0.000 0.281 98 V C 1.441 177.702 176.094 0.279 0.000 1.031 98 V CA 0.972 63.388 62.300 0.194 0.000 1.038 98 V CB 0.402 32.441 31.823 0.362 0.000 0.981 98 V HN 1.222 nan 8.190 nan 0.000 0.478 99 T N 1.079 115.738 114.554 0.175 0.000 2.959 99 T HA 0.397 4.913 4.350 0.276 0.000 0.254 99 T C 0.307 175.148 174.700 0.234 0.000 1.003 99 T CA -0.155 62.118 62.100 0.288 0.000 0.950 99 T CB 0.501 69.456 68.868 0.146 0.000 1.090 99 T HN 0.320 nan 8.240 nan 0.000 0.503 100 M N 3.000 122.655 119.600 0.092 0.000 2.378 100 M HA 0.413 5.059 4.480 0.276 0.000 0.289 100 M C -0.454 175.799 176.300 -0.078 0.000 1.136 100 M CA -0.438 54.852 55.300 -0.018 0.000 0.917 100 M CB 2.251 34.839 32.600 -0.020 0.000 1.669 100 M HN 0.327 nan 8.290 nan 0.000 0.461 101 T N -1.146 113.247 114.554 -0.269 0.000 2.847 101 T HA 0.374 4.889 4.350 0.276 0.000 0.279 101 T C 1.119 175.603 174.700 -0.361 0.000 0.984 101 T CA -0.637 61.184 62.100 -0.465 0.000 0.988 101 T CB 1.077 69.125 68.868 -1.367 0.000 1.040 101 T HN 0.834 nan 8.240 nan 0.000 0.528 102 K N -0.302 119.963 120.400 -0.225 0.000 2.280 102 K HA -0.082 4.404 4.320 0.276 0.000 0.202 102 K C 1.216 177.896 176.600 0.133 0.000 1.047 102 K CA 1.064 57.364 56.287 0.022 0.000 0.942 102 K CB -0.429 32.160 32.500 0.148 0.000 0.739 102 K HN 0.896 nan 8.250 nan 0.000 0.457 103 W N 1.348 122.708 121.300 0.101 0.000 3.325 103 W HA 0.400 5.223 4.660 0.271 0.000 0.370 103 W C -0.591 175.969 176.519 0.068 0.000 1.169 103 W CA -0.849 56.543 57.345 0.079 0.000 1.874 103 W CB 0.527 30.036 29.460 0.081 0.000 1.076 103 W HN -0.125 nan 8.180 nan 0.000 0.684 104 K N -0.771 119.555 120.400 -0.124 0.000 3.339 104 K HA -0.231 4.255 4.320 0.276 0.000 0.299 104 K C 0.238 176.762 176.600 -0.128 0.000 1.270 104 K CA 1.274 57.508 56.287 -0.088 0.000 0.875 104 K CB -2.348 30.164 32.500 0.020 0.000 1.298 104 K HN 0.501 nan 8.250 nan 0.000 0.485 105 A N 1.952 124.594 122.820 -0.297 0.000 2.363 105 A HA 0.512 4.998 4.320 0.276 0.000 0.270 105 A C -1.880 175.544 177.584 -0.268 0.000 1.121 105 A CA -1.077 50.842 52.037 -0.197 0.000 0.800 105 A CB 0.321 19.272 19.000 -0.083 0.000 1.052 105 A HN -0.014 nan 8.150 nan 0.000 0.493 106 P HA 0.262 nan 4.420 nan 0.000 0.275 106 P C -0.734 176.380 177.300 -0.311 0.000 1.228 106 P CA -0.105 62.665 63.100 -0.550 0.000 0.786 106 P CB 1.090 32.038 31.700 -1.254 0.000 0.927 107 V N 3.829 123.675 119.914 -0.113 0.000 2.328 107 V HA 0.120 4.406 4.120 0.276 0.000 0.278 107 V C 0.502 176.707 176.094 0.186 0.000 1.021 107 V CA -0.743 61.555 62.300 -0.002 0.000 0.838 107 V CB 1.519 33.408 31.823 0.109 0.000 0.999 107 V HN 0.255 nan 8.190 nan 0.000 0.447 108 V N 5.318 125.250 119.914 0.030 0.000 2.387 108 V HA 0.259 4.545 4.120 0.276 0.000 0.260 108 V C -0.378 175.834 176.094 0.198 0.000 1.054 108 V CA -0.253 62.193 62.300 0.244 0.000 0.967 108 V CB 0.072 31.945 31.823 0.082 0.000 1.036 108 V HN 0.838 nan 8.190 nan 0.000 0.481 109 W N 2.179 123.696 121.300 0.362 0.000 2.639 109 W HA 0.549 5.400 4.660 0.319 0.000 0.347 109 W C 0.363 177.063 176.519 0.301 0.000 1.067 109 W CA -0.903 56.591 57.345 0.249 0.000 1.218 109 W CB 0.953 30.482 29.460 0.115 0.000 1.393 109 W HN 0.451 nan 8.180 nan 0.000 0.557 110 E N 0.830 121.288 120.200 0.430 0.000 2.480 110 E HA 0.319 4.835 4.350 0.276 0.000 0.258 110 E C 1.027 177.688 176.600 0.101 0.000 0.984 110 E CA 2.032 58.591 56.400 0.264 0.000 0.930 110 E CB 0.239 30.007 29.700 0.113 0.000 0.936 110 E HN 0.643 nan 8.360 nan 0.000 0.466 111 G N 2.863 111.590 108.800 -0.121 0.000 2.284 111 G HA2 -0.341 3.785 3.960 0.276 0.000 0.216 111 G HA3 -0.341 3.785 3.960 0.276 0.000 0.216 111 G C 1.089 175.894 174.900 -0.157 0.000 1.009 111 G CA 0.739 45.748 45.100 -0.152 0.000 0.625 111 G HN 0.827 nan 8.290 nan 0.000 0.501 112 T N -1.160 113.370 114.554 -0.040 0.000 3.043 112 T HA 0.391 4.907 4.350 0.276 0.000 0.263 112 T C 1.035 175.761 174.700 0.043 0.000 1.094 112 T CA 1.258 63.307 62.100 -0.085 0.000 1.127 112 T CB -0.194 68.650 68.868 -0.041 0.000 0.905 112 T HN 1.319 nan 8.240 nan 0.000 0.490 113 Y N 0.332 120.769 120.300 0.228 0.000 2.420 113 Y HA 0.733 5.450 4.550 0.279 0.000 0.334 113 Y C -0.276 175.790 175.900 0.275 0.000 1.094 113 Y CA -2.275 56.066 58.100 0.402 0.000 1.126 113 Y CB 0.730 39.496 38.460 0.510 0.000 1.217 113 Y HN -0.168 nan 8.280 nan 0.000 0.462 114 N N 3.603 122.589 118.700 0.478 0.000 2.817 114 N HA 0.164 5.070 4.740 0.276 0.000 0.234 114 N C 0.719 176.450 175.510 0.368 0.000 1.066 114 N CA -0.260 52.976 53.050 0.310 0.000 0.926 114 N CB 0.406 39.038 38.487 0.240 0.000 1.176 114 N HN 0.966 nan 8.380 nan 0.000 0.506 115 R N 2.306 123.049 120.500 0.406 0.000 2.096 115 R HA -0.087 4.419 4.340 0.276 0.000 0.235 115 R C 1.612 178.043 176.300 0.219 0.000 1.127 115 R CA 1.609 57.904 56.100 0.325 0.000 0.968 115 R CB 0.053 30.567 30.300 0.356 0.000 0.861 115 R HN 0.535 nan 8.270 nan 0.000 0.440 116 A N 0.244 123.175 122.820 0.185 0.000 1.883 116 A HA -0.149 4.337 4.320 0.276 0.000 0.217 116 A C 2.247 179.918 177.584 0.145 0.000 1.186 116 A CA 1.750 53.873 52.037 0.144 0.000 0.624 116 A CB -0.708 18.358 19.000 0.110 0.000 0.822 116 A HN 0.227 nan 8.150 nan 0.000 0.444 117 V N -0.036 119.970 119.914 0.153 0.000 2.332 117 V HA -0.263 4.023 4.120 0.276 0.000 0.248 117 V C 2.581 178.758 176.094 0.138 0.000 1.055 117 V CA 2.076 64.462 62.300 0.143 0.000 1.038 117 V CB -0.654 31.264 31.823 0.158 0.000 0.651 117 V HN 0.572 nan 8.190 nan 0.000 0.450 118 L N -0.683 120.624 121.223 0.139 0.000 2.072 118 L HA -0.129 4.377 4.340 0.276 0.000 0.205 118 L C 2.391 179.410 176.870 0.248 0.000 1.079 118 L CA 1.386 56.288 54.840 0.103 0.000 0.752 118 L CB -0.730 41.354 42.059 0.042 0.000 0.906 118 L HN 0.306 nan 8.230 nan 0.000 0.436 119 D N 0.091 120.648 120.400 0.261 0.000 2.104 119 D HA -0.221 4.585 4.640 0.276 0.000 0.194 119 D C 1.872 178.350 176.300 0.297 0.000 0.994 119 D CA 1.490 55.704 54.000 0.357 0.000 0.830 119 D CB -0.231 40.730 40.800 0.267 0.000 0.959 119 D HN 0.261 nan 8.370 nan 0.000 0.452 120 N N -0.406 118.410 118.700 0.194 0.000 2.084 120 N HA -0.233 4.673 4.740 0.276 0.000 0.190 120 N C 1.891 177.485 175.510 0.139 0.000 1.030 120 N CA 1.155 54.291 53.050 0.143 0.000 0.849 120 N CB -0.433 38.123 38.487 0.116 0.000 1.012 120 N HN 0.200 nan 8.380 nan 0.000 0.423 121 Y N -0.353 119.940 120.300 -0.012 0.000 2.165 121 Y HA -0.222 4.493 4.550 0.275 0.000 0.286 121 Y C 1.592 177.418 175.900 -0.125 0.000 1.155 121 Y CA 1.804 59.829 58.100 -0.125 0.000 1.164 121 Y CB -0.528 37.761 38.460 -0.285 0.000 0.978 121 Y HN 0.236 nan 8.280 nan 0.000 0.513 122 Y N -0.796 119.553 120.300 0.081 0.000 2.337 122 Y HA -0.025 4.692 4.550 0.279 0.000 0.293 122 Y C 2.593 178.526 175.900 0.055 0.000 1.123 122 Y CA 0.506 58.595 58.100 -0.017 0.000 1.201 122 Y CB -0.440 37.987 38.460 -0.055 0.000 1.011 122 Y HN 0.221 nan 8.280 nan 0.000 0.545 123 A N 0.503 123.512 122.820 0.315 0.000 1.972 123 A HA -0.206 4.280 4.320 0.276 0.000 0.219 123 A C 2.015 179.645 177.584 0.077 0.000 1.169 123 A CA 1.657 53.816 52.037 0.203 0.000 0.635 123 A CB -0.408 18.665 19.000 0.122 0.000 0.810 123 A HN 0.388 nan 8.150 nan 0.000 0.446 124 K N -0.532 119.876 120.400 0.014 0.000 2.217 124 K HA -0.069 4.417 4.320 0.276 0.000 0.202 124 K C 1.953 178.516 176.600 -0.062 0.000 1.051 124 K CA 1.188 57.454 56.287 -0.035 0.000 0.952 124 K CB -0.078 32.383 32.500 -0.066 0.000 0.736 124 K HN 0.584 nan 8.250 nan 0.000 0.453 125 Q N 0.702 120.447 119.800 -0.091 0.000 2.432 125 Q HA 0.024 4.530 4.340 0.276 0.000 0.205 125 Q C -0.464 175.549 176.000 0.021 0.000 0.945 125 Q CA 0.224 55.990 55.803 -0.062 0.000 0.924 125 Q CB 0.184 28.868 28.738 -0.090 0.000 1.016 125 Q HN 0.110 nan 8.270 nan 0.000 0.503 126 K N 1.436 121.869 120.400 0.056 0.000 3.653 126 K HA -0.181 4.305 4.320 0.276 0.000 0.275 126 K C -0.207 176.445 176.600 0.087 0.000 0.962 126 K CA 0.141 56.472 56.287 0.074 0.000 0.773 126 K CB -1.905 30.619 32.500 0.040 0.000 1.463 126 K HN 0.411 nan 8.250 nan 0.000 0.450 127 I N -2.550 118.098 120.570 0.130 0.000 2.764 127 I HA 0.324 4.659 4.170 0.276 0.000 0.294 127 I C 0.306 176.479 176.117 0.094 0.000 1.045 127 I CA -0.220 61.148 61.300 0.113 0.000 1.340 127 I CB 1.411 39.495 38.000 0.141 0.000 1.436 127 I HN -0.041 nan 8.210 nan 0.000 0.567 128 T N 4.073 118.674 114.554 0.078 0.000 2.861 128 T HA 0.564 5.080 4.350 0.276 0.000 0.287 128 T C -0.466 174.295 174.700 0.101 0.000 1.003 128 T CA -0.487 61.657 62.100 0.073 0.000 0.977 128 T CB 1.867 70.772 68.868 0.062 0.000 0.996 128 T HN 0.448 nan 8.240 nan 0.000 0.448 129 V N 2.197 122.173 119.914 0.104 0.000 2.459 129 V HA 0.781 5.067 4.120 0.276 0.000 0.295 129 V C 0.736 176.986 176.094 0.259 0.000 1.029 129 V CA -0.732 61.683 62.300 0.192 0.000 0.874 129 V CB 1.746 33.641 31.823 0.119 0.000 0.985 129 V HN 1.039 nan 8.190 nan 0.000 0.438 130 G N 2.966 111.967 108.800 0.335 0.000 2.434 130 G HA2 0.675 4.801 3.960 0.276 0.000 0.330 130 G HA3 0.675 4.801 3.960 0.276 0.000 0.330 130 G C -1.489 173.671 174.900 0.432 0.000 1.155 130 G CA -0.484 44.843 45.100 0.378 0.000 0.917 130 G HN 0.616 nan 8.290 nan 0.000 0.493 131 L N 1.260 122.698 121.223 0.359 0.000 2.528 131 L HA 0.555 5.061 4.340 0.276 0.000 0.267 131 L C 0.272 177.343 176.870 0.335 0.000 0.961 131 L CA -0.485 54.517 54.840 0.271 0.000 0.866 131 L CB 1.812 43.888 42.059 0.028 0.000 1.248 131 L HN 0.738 nan 8.230 nan 0.000 0.404 132 T N 1.808 116.514 114.554 0.253 0.000 2.875 132 T HA 0.769 5.285 4.350 0.276 0.000 0.284 132 T C -0.601 174.136 174.700 0.061 0.000 0.995 132 T CA -0.687 61.517 62.100 0.173 0.000 1.060 132 T CB 1.694 70.617 68.868 0.091 0.000 0.967 132 T HN 0.675 nan 8.240 nan 0.000 0.476 133 V N 3.570 123.460 119.914 -0.040 0.000 2.777 133 V HA 0.635 4.921 4.120 0.276 0.000 0.306 133 V C -1.909 174.083 176.094 -0.170 0.000 1.112 133 V CA -1.080 61.136 62.300 -0.141 0.000 0.917 133 V CB 1.592 33.173 31.823 -0.403 0.000 1.018 133 V HN 0.916 nan 8.190 nan 0.000 0.426 134 F N 4.718 124.566 119.950 -0.170 0.000 2.443 134 F HA 0.862 5.551 4.527 0.270 0.000 0.335 134 F C 0.547 176.285 175.800 -0.104 0.000 1.104 134 F CA -0.211 57.722 58.000 -0.112 0.000 1.013 134 F CB 2.183 41.113 39.000 -0.116 0.000 1.136 134 F HN 0.671 nan 8.300 nan 0.000 0.470 135 A N 3.183 126.063 122.820 0.100 0.000 2.569 135 A HA 0.713 5.199 4.320 0.276 0.000 0.282 135 A C -1.700 175.952 177.584 0.114 0.000 1.165 135 A CA -0.547 51.562 52.037 0.119 0.000 0.747 135 A CB 0.598 19.670 19.000 0.120 0.000 1.215 135 A HN 0.493 nan 8.150 nan 0.000 0.431 136 V N 2.412 122.376 119.914 0.084 0.000 2.495 136 V HA 0.826 5.112 4.120 0.276 0.000 0.298 136 V C 1.032 177.204 176.094 0.130 0.000 1.031 136 V CA 0.693 63.041 62.300 0.080 0.000 0.871 136 V CB 0.783 32.630 31.823 0.040 0.000 0.988 136 V HN 2.211 nan 8.190 nan 0.000 0.432 137 G N 5.242 114.123 108.800 0.135 0.000 2.528 137 G HA2 -0.215 3.911 3.960 0.276 0.000 0.262 137 G HA3 -0.215 3.911 3.960 0.276 0.000 0.262 137 G C 0.498 175.508 174.900 0.183 0.000 1.200 137 G CA 0.194 45.388 45.100 0.156 0.000 0.951 137 G HN 0.594 nan 8.290 nan 0.000 0.566 138 R N -0.054 120.554 120.500 0.179 0.000 2.323 138 R HA 0.127 4.633 4.340 0.276 0.000 0.198 138 R C 2.127 178.472 176.300 0.075 0.000 0.988 138 R CA 1.222 57.384 56.100 0.103 0.000 1.041 138 R CB -0.854 29.454 30.300 0.013 0.000 0.926 138 R HN 0.672 nan 8.270 nan 0.000 0.476 139 Y N 0.659 120.989 120.300 0.049 0.000 2.315 139 Y HA -0.174 4.538 4.550 0.269 0.000 0.288 139 Y C 2.178 178.151 175.900 0.121 0.000 1.154 139 Y CA 0.944 59.133 58.100 0.149 0.000 1.229 139 Y CB -0.313 38.273 38.460 0.209 0.000 0.980 139 Y HN -0.049 nan 8.280 nan 0.000 0.540 140 I N -0.052 120.655 120.570 0.227 0.000 2.090 140 I HA -0.303 4.033 4.170 0.276 0.000 0.236 140 I C 2.065 178.227 176.117 0.074 0.000 1.064 140 I CA 1.640 63.021 61.300 0.136 0.000 1.324 140 I CB -0.399 37.661 38.000 0.100 0.000 1.044 140 I HN 0.115 nan 8.210 nan 0.000 0.399 141 E N -0.117 120.114 120.200 0.051 0.000 2.110 141 E HA -0.208 4.308 4.350 0.276 0.000 0.193 141 E C 2.153 178.684 176.600 -0.115 0.000 0.988 141 E CA 1.126 57.519 56.400 -0.012 0.000 0.804 141 E CB -0.197 29.506 29.700 0.006 0.000 0.745 141 E HN 0.524 nan 8.360 nan 0.000 0.458 142 H N -2.071 116.805 119.070 -0.323 0.000 2.436 142 H HA 0.009 4.729 4.556 0.273 0.000 0.294 142 H C 0.908 175.884 175.328 -0.586 0.000 1.048 142 H CA 1.280 56.940 56.048 -0.647 0.000 1.353 142 H CB 0.396 29.434 29.762 -1.207 0.000 1.414 142 H HN 0.318 nan 8.280 nan 0.000 0.536 143 Y N -1.790 118.584 120.300 0.123 0.000 2.476 143 Y HA -0.003 4.723 4.550 0.294 0.000 0.274 143 Y C 1.976 177.944 175.900 0.113 0.000 1.120 143 Y CA -0.349 57.817 58.100 0.110 0.000 1.214 143 Y CB 0.320 38.845 38.460 0.107 0.000 1.285 143 Y HN -0.053 nan 8.280 nan 0.000 0.520 144 L N 1.464 122.813 121.223 0.210 0.000 2.027 144 L HA -0.142 4.364 4.340 0.276 0.000 0.206 144 L C 2.257 179.202 176.870 0.124 0.000 1.074 144 L CA 2.057 56.987 54.840 0.150 0.000 0.745 144 L CB -0.506 41.604 42.059 0.085 0.000 0.898 144 L HN 0.291 nan 8.230 nan 0.000 0.433 145 E N -0.639 119.603 120.200 0.070 0.000 2.051 145 E HA -0.263 4.253 4.350 0.276 0.000 0.192 145 E C 2.015 178.644 176.600 0.048 0.000 0.991 145 E CA 1.604 58.019 56.400 0.026 0.000 0.799 145 E CB -0.108 29.592 29.700 0.001 0.000 0.748 145 E HN 0.626 nan 8.360 nan 0.000 0.449 146 E N -0.442 119.818 120.200 0.100 0.000 2.106 146 E HA -0.175 4.341 4.350 0.276 0.000 0.192 146 E C 1.825 178.512 176.600 0.144 0.000 0.984 146 E CA 0.933 57.404 56.400 0.118 0.000 0.806 146 E CB -0.189 29.604 29.700 0.156 0.000 0.750 146 E HN 0.301 nan 8.360 nan 0.000 0.458 147 F N 1.309 121.290 119.950 0.051 0.000 2.075 147 F HA -0.182 4.493 4.527 0.247 0.000 0.297 147 F C 1.925 177.698 175.800 -0.046 0.000 1.113 147 F CA 1.367 59.389 58.000 0.036 0.000 1.218 147 F CB -0.098 38.906 39.000 0.006 0.000 0.984 147 F HN -0.091 nan 8.300 nan 0.000 0.472 148 L N -0.666 120.547 121.223 -0.016 0.000 2.093 148 L HA -0.187 4.319 4.340 0.276 0.000 0.208 148 L C 2.324 179.005 176.870 -0.316 0.000 1.085 148 L CA 1.598 56.252 54.840 -0.309 0.000 0.755 148 L CB -1.096 40.822 42.059 -0.234 0.000 0.904 148 L HN 0.152 nan 8.230 nan 0.000 0.435 149 T N -0.665 113.796 114.554 -0.155 0.000 2.746 149 T HA -0.166 4.350 4.350 0.276 0.000 0.267 149 T C 2.129 176.758 174.700 -0.119 0.000 1.039 149 T CA 1.712 63.746 62.100 -0.111 0.000 1.142 149 T CB -0.179 68.660 68.868 -0.048 0.000 0.866 149 T HN 0.538 nan 8.240 nan 0.000 0.444 150 S N 1.707 117.357 115.700 -0.082 0.000 2.406 150 S HA 0.120 4.756 4.470 0.276 0.000 0.228 150 S C 2.417 176.913 174.600 -0.172 0.000 1.020 150 S CA 0.780 58.992 58.200 0.020 0.000 0.965 150 S CB -0.514 62.810 63.200 0.207 0.000 0.798 150 S HN 0.471 nan 8.310 nan 0.000 0.488 151 A N 2.818 125.344 122.820 -0.490 0.000 1.873 151 A HA -0.111 4.375 4.320 0.276 0.000 0.215 151 A C 2.108 179.485 177.584 -0.345 0.000 1.186 151 A CA 1.823 53.297 52.037 -0.939 0.000 0.616 151 A CB -1.412 16.873 19.000 -1.192 0.000 0.823 151 A HN 0.623 nan 8.150 nan 0.000 0.442 152 N N -0.054 118.540 118.700 -0.178 0.000 2.061 152 N HA -0.234 4.672 4.740 0.276 0.000 0.193 152 N C 1.713 177.188 175.510 -0.059 0.000 1.030 152 N CA 2.318 55.401 53.050 0.054 0.000 0.856 152 N CB -0.277 38.217 38.487 0.011 0.000 1.023 152 N HN 0.561 nan 8.380 nan 0.000 0.424 153 K N -1.659 118.623 120.400 -0.197 0.000 2.103 153 K HA -0.099 4.386 4.320 0.276 0.000 0.204 153 K C 1.080 177.451 176.600 -0.382 0.000 1.052 153 K CA 1.162 57.243 56.287 -0.343 0.000 0.945 153 K CB 0.011 32.186 32.500 -0.541 0.000 0.722 153 K HN 0.416 nan 8.250 nan 0.000 0.443 154 H N -2.172 116.837 119.070 -0.102 0.000 3.017 154 H HA 0.061 4.792 4.556 0.291 0.000 0.255 154 H C -0.532 174.758 175.328 -0.063 0.000 0.990 154 H CA -0.239 55.778 56.048 -0.052 0.000 1.205 154 H CB 0.264 30.053 29.762 0.045 0.000 1.460 154 H HN 0.028 nan 8.280 nan 0.000 0.478 155 F N 3.505 123.267 119.950 -0.315 0.000 2.413 155 F HA 0.203 4.887 4.527 0.261 0.000 0.359 155 F C 0.669 176.442 175.800 -0.046 0.000 1.122 155 F CA -0.618 57.213 58.000 -0.282 0.000 1.160 155 F CB 0.305 38.977 39.000 -0.546 0.000 1.146 155 F HN -0.007 nan 8.300 nan 0.000 0.514 156 M N 5.109 124.446 119.600 -0.438 0.000 2.302 156 M HA -0.187 4.459 4.480 0.276 0.000 0.200 156 M C -0.508 175.769 176.300 -0.038 0.000 0.366 156 M CA 0.284 55.386 55.300 -0.330 0.000 0.440 156 M CB -2.855 29.386 32.600 -0.598 0.000 1.475 156 M HN 0.165 nan 8.290 nan 0.000 0.905 157 V N 0.418 120.336 119.914 0.007 0.000 2.617 157 V HA 0.344 4.630 4.120 0.276 0.000 0.304 157 V C 1.712 177.806 176.094 0.000 0.000 1.040 157 V CA 1.664 63.972 62.300 0.013 0.000 1.149 157 V CB 0.835 32.670 31.823 0.020 0.000 0.914 157 V HN 0.997 nan 8.190 nan 0.000 0.487 158 G N 3.384 112.129 108.800 -0.092 0.000 2.176 158 G HA2 -0.162 3.963 3.960 0.276 0.000 0.232 158 G HA3 -0.162 3.963 3.960 0.276 0.000 0.232 158 G C 0.022 174.605 174.900 -0.528 0.000 0.986 158 G CA -0.003 44.931 45.100 -0.277 0.000 0.643 158 G HN 0.785 nan 8.290 nan 0.000 0.522 159 H N 0.080 119.124 119.070 -0.044 0.000 2.768 159 H HA 0.405 5.126 4.556 0.276 0.000 0.371 159 H C -2.732 172.562 175.328 -0.058 0.000 1.151 159 H CA -1.823 54.198 56.048 -0.044 0.000 1.165 159 H CB 2.076 31.802 29.762 -0.061 0.000 1.722 159 H HN 0.008 nan 8.280 nan 0.000 0.543 160 P HA 0.005 nan 4.420 nan 0.000 0.264 160 P C -0.553 176.739 177.300 -0.013 0.000 1.193 160 P CA 0.155 63.259 63.100 0.006 0.000 0.763 160 P CB 0.618 32.328 31.700 0.017 0.000 0.810 161 V N 5.530 125.386 119.914 -0.096 0.000 2.709 161 V HA 0.434 4.720 4.120 0.276 0.000 0.308 161 V C -0.065 175.825 176.094 -0.340 0.000 1.062 161 V CA -0.526 61.675 62.300 -0.165 0.000 0.901 161 V CB 2.084 33.797 31.823 -0.183 0.000 1.003 161 V HN 0.338 nan 8.190 nan 0.000 0.425 162 I N 4.490 124.863 120.570 -0.329 0.000 2.389 162 I HA 0.471 4.806 4.170 0.276 0.000 0.288 162 I C -0.910 174.871 176.117 -0.561 0.000 0.999 162 I CA -0.257 60.763 61.300 -0.466 0.000 1.129 162 I CB 1.527 39.274 38.000 -0.422 0.000 1.288 162 I HN 0.421 nan 8.210 nan 0.000 0.444 163 F N 5.396 125.218 119.950 -0.213 0.000 2.411 163 F HA 0.362 5.055 4.527 0.277 0.000 0.350 163 F C -0.342 175.349 175.800 -0.182 0.000 1.114 163 F CA -0.651 57.264 58.000 -0.142 0.000 1.135 163 F CB 0.607 39.607 39.000 -0.000 0.000 1.120 163 F HN 0.319 nan 8.300 nan 0.000 0.495 164 Y N 4.354 124.843 120.300 0.314 0.000 2.385 164 Y HA 0.489 5.203 4.550 0.273 0.000 0.341 164 Y C -0.153 175.814 175.900 0.112 0.000 0.965 164 Y CA -0.745 57.499 58.100 0.241 0.000 1.180 164 Y CB 0.685 39.260 38.460 0.193 0.000 1.139 164 Y HN 0.380 nan 8.280 nan 0.000 0.502 165 I N 4.772 125.494 120.570 0.254 0.000 2.330 165 I HA 0.308 4.644 4.170 0.276 0.000 0.289 165 I C -0.633 175.493 176.117 0.014 0.000 1.001 165 I CA -0.569 60.780 61.300 0.082 0.000 1.193 165 I CB 1.009 39.074 38.000 0.107 0.000 1.345 165 I HN 0.485 nan 8.210 nan 0.000 0.461 166 M N 8.072 127.536 119.600 -0.226 0.000 2.066 166 M HA 0.431 5.077 4.480 0.276 0.000 0.340 166 M C -0.550 175.672 176.300 -0.129 0.000 1.053 166 M CA -0.539 54.584 55.300 -0.296 0.000 0.983 166 M CB 1.353 33.380 32.600 -0.954 0.000 1.520 166 M HN 0.388 nan 8.290 nan 0.000 0.428 167 V N 0.283 120.194 119.914 -0.005 0.000 2.914 167 V HA 0.687 4.972 4.120 0.276 0.000 0.314 167 V C 0.271 176.403 176.094 0.063 0.000 1.084 167 V CA -0.756 61.568 62.300 0.041 0.000 0.963 167 V CB 2.091 33.941 31.823 0.045 0.000 1.025 167 V HN 0.841 nan 8.190 nan 0.000 0.432 168 D N 0.092 120.535 120.400 0.071 0.000 2.333 168 D HA 0.023 4.829 4.640 0.276 0.000 0.208 168 D C 0.029 176.365 176.300 0.060 0.000 0.984 168 D CA 0.580 54.621 54.000 0.069 0.000 0.873 168 D CB 0.498 41.339 40.800 0.069 0.000 0.935 168 D HN 0.651 nan 8.370 nan 0.000 0.521 169 D N 0.305 120.740 120.400 0.057 0.000 2.402 169 D HA 0.131 4.937 4.640 0.276 0.000 0.252 169 D C 0.914 177.241 176.300 0.045 0.000 1.294 169 D CA -0.599 53.430 54.000 0.049 0.000 0.948 169 D CB 2.057 42.885 40.800 0.048 0.000 1.202 169 D HN -0.256 nan 8.370 nan 0.000 0.561 170 V N 2.626 122.565 119.914 0.041 0.000 2.809 170 V HA -0.147 4.138 4.120 0.276 0.000 0.256 170 V C 2.386 178.500 176.094 0.034 0.000 1.080 170 V CA 1.861 64.184 62.300 0.039 0.000 1.102 170 V CB -0.470 31.373 31.823 0.033 0.000 0.705 170 V HN 0.654 nan 8.190 nan 0.000 0.475 171 S N 0.674 116.392 115.700 0.030 0.000 2.474 171 S HA -0.133 4.503 4.470 0.276 0.000 0.235 171 S C 1.825 176.440 174.600 0.025 0.000 0.997 171 S CA 0.911 59.126 58.200 0.026 0.000 0.949 171 S CB -0.316 62.898 63.200 0.023 0.000 0.766 171 S HN 0.624 nan 8.310 nan 0.000 0.517 172 R N -0.099 120.418 120.500 0.028 0.000 2.393 172 R HA 0.397 4.903 4.340 0.276 0.000 0.244 172 R C 0.148 176.462 176.300 0.024 0.000 0.920 172 R CA -0.215 55.901 56.100 0.026 0.000 1.076 172 R CB 0.046 30.366 30.300 0.033 0.000 1.119 172 R HN 0.444 nan 8.270 nan 0.000 0.524 173 M N 3.084 122.699 119.600 0.025 0.000 2.307 173 M HA 0.135 4.781 4.480 0.276 0.000 0.346 173 M C -2.242 174.056 176.300 -0.002 0.000 1.552 173 M CA -1.990 53.321 55.300 0.018 0.000 1.116 173 M CB 0.486 33.108 32.600 0.036 0.000 1.889 173 M HN -0.211 nan 8.290 nan 0.000 0.460 174 P HA 0.131 nan 4.420 nan 0.000 0.276 174 P C -1.184 176.066 177.300 -0.083 0.000 1.253 174 P CA 0.130 63.207 63.100 -0.039 0.000 0.766 174 P CB 0.304 31.982 31.700 -0.037 0.000 0.845 175 L N 5.443 126.628 121.223 -0.063 0.000 2.352 175 L HA 0.297 4.803 4.340 0.276 0.000 0.272 175 L C 1.088 177.905 176.870 -0.089 0.000 1.109 175 L CA -0.862 53.925 54.840 -0.088 0.000 0.952 175 L CB -0.298 41.766 42.059 0.007 0.000 1.314 175 L HN 0.374 nan 8.230 nan 0.000 0.427 176 I N -1.491 118.992 120.570 -0.146 0.000 2.945 176 I HA 0.270 4.605 4.170 0.276 0.000 0.292 176 I C 0.387 176.457 176.117 -0.079 0.000 1.093 176 I CA -0.431 60.808 61.300 -0.102 0.000 1.336 176 I CB 0.727 38.660 38.000 -0.113 0.000 1.435 176 I HN 0.433 nan 8.210 nan 0.000 0.593 177 E N 4.123 124.300 120.200 -0.038 0.000 2.289 177 E HA 0.373 4.889 4.350 0.276 0.000 0.278 177 E C -1.247 175.351 176.600 -0.004 0.000 1.032 177 E CA -0.572 55.823 56.400 -0.008 0.000 0.854 177 E CB 0.916 30.615 29.700 -0.002 0.000 1.046 177 E HN 0.562 nan 8.360 nan 0.000 0.409 178 L N 3.327 124.569 121.223 0.030 0.000 2.344 178 L HA 0.511 5.017 4.340 0.276 0.000 0.272 178 L C 0.868 177.760 176.870 0.037 0.000 1.035 178 L CA -0.752 54.121 54.840 0.055 0.000 0.807 178 L CB 1.611 43.741 42.059 0.118 0.000 1.237 178 L HN 0.649 nan 8.230 nan 0.000 0.442 179 G N 1.093 109.909 108.800 0.027 0.000 2.532 179 G HA2 0.504 4.630 3.960 0.276 0.000 0.291 179 G HA3 0.504 4.630 3.960 0.276 0.000 0.291 179 G C -2.649 172.251 174.900 0.001 0.000 1.349 179 G CA -1.289 43.815 45.100 0.006 0.000 1.038 179 G HN 0.348 nan 8.290 nan 0.000 0.518 180 P HA 0.187 nan 4.420 nan 0.000 0.265 180 P C 0.483 177.766 177.300 -0.028 0.000 1.193 180 P CA 0.274 63.363 63.100 -0.018 0.000 0.765 180 P CB 0.410 32.096 31.700 -0.022 0.000 0.823 181 L N -1.070 120.133 121.223 -0.034 0.000 4.759 181 L HA -0.269 4.237 4.340 0.276 0.000 0.419 181 L C 0.272 177.095 176.870 -0.080 0.000 1.093 181 L CA 0.700 55.512 54.840 -0.047 0.000 1.037 181 L CB -1.176 40.855 42.059 -0.046 0.000 2.095 181 L HN 0.465 nan 8.230 nan 0.000 0.739 182 R N 0.389 120.843 120.500 -0.077 0.000 2.460 182 R HA 0.757 5.263 4.340 0.276 0.000 0.303 182 R C 0.095 176.347 176.300 -0.080 0.000 0.968 182 R CA 0.405 56.417 56.100 -0.146 0.000 0.889 182 R CB 1.926 32.194 30.300 -0.053 0.000 1.123 182 R HN 0.265 nan 8.270 nan 0.000 0.455 183 S N 1.519 117.137 115.700 -0.136 0.000 2.671 183 S HA 0.813 5.449 4.470 0.276 0.000 0.277 183 S C -1.078 173.566 174.600 0.073 0.000 1.165 183 S CA -0.946 57.258 58.200 0.007 0.000 0.822 183 S CB 1.331 64.497 63.200 -0.056 0.000 1.150 183 S HN 0.529 nan 8.310 nan 0.000 0.479 184 F N -1.042 118.860 119.950 -0.080 0.000 2.685 184 F HA 0.907 5.601 4.527 0.278 0.000 0.315 184 F C -1.587 174.168 175.800 -0.074 0.000 1.126 184 F CA -1.093 56.878 58.000 -0.049 0.000 0.950 184 F CB 1.446 40.503 39.000 0.096 0.000 1.360 184 F HN 0.966 nan 8.300 nan 0.000 0.469 185 K N 0.963 121.302 120.400 -0.102 0.000 2.551 185 K HA 0.778 5.263 4.320 0.276 0.000 0.269 185 K C -2.375 174.154 176.600 -0.118 0.000 0.949 185 K CA -1.043 55.057 56.287 -0.311 0.000 0.849 185 K CB 2.518 34.804 32.500 -0.356 0.000 1.411 185 K HN 0.601 nan 8.250 nan 0.000 0.432 186 V N 1.952 121.689 119.914 -0.294 0.000 2.628 186 V HA 0.567 4.853 4.120 0.276 0.000 0.306 186 V C -1.208 174.606 176.094 -0.466 0.000 1.045 186 V CA -0.691 61.513 62.300 -0.160 0.000 0.905 186 V CB 0.977 32.823 31.823 0.038 0.000 0.997 186 V HN 0.658 nan 8.190 nan 0.000 0.436 187 F N 2.202 122.165 119.950 0.021 0.000 2.529 187 F HA 0.498 5.189 4.527 0.274 0.000 0.320 187 F C 0.198 176.003 175.800 0.009 0.000 1.118 187 F CA -0.752 57.263 58.000 0.025 0.000 0.915 187 F CB 1.884 40.913 39.000 0.047 0.000 1.161 187 F HN 0.310 nan 8.300 nan 0.000 0.445 188 K N 5.411 125.925 120.400 0.191 0.000 2.312 188 K HA 0.535 5.021 4.320 0.276 0.000 0.287 188 K C -0.728 175.956 176.600 0.140 0.000 1.062 188 K CA -0.217 56.146 56.287 0.127 0.000 0.934 188 K CB 0.446 32.999 32.500 0.089 0.000 1.027 188 K HN 0.763 nan 8.250 nan 0.000 0.478 189 I N 0.180 120.816 120.570 0.111 0.000 2.910 189 I HA 0.435 4.771 4.170 0.276 0.000 0.310 189 I C -0.577 175.590 176.117 0.084 0.000 1.043 189 I CA -1.248 60.116 61.300 0.106 0.000 1.053 189 I CB 1.650 39.724 38.000 0.124 0.000 1.242 189 I HN 0.450 nan 8.210 nan 0.000 0.452 190 K N 4.026 124.469 120.400 0.073 0.000 2.368 190 K HA 0.341 4.827 4.320 0.276 0.000 0.282 190 K C -2.344 174.290 176.600 0.056 0.000 1.035 190 K CA -1.331 54.989 56.287 0.055 0.000 0.973 190 K CB 0.515 33.039 32.500 0.041 0.000 0.957 190 K HN 0.476 nan 8.250 nan 0.000 0.474 191 P HA 0.123 nan 4.420 nan 0.000 0.287 191 P C -1.008 176.309 177.300 0.028 0.000 1.294 191 P CA -0.253 62.873 63.100 0.044 0.000 0.776 191 P CB 0.968 32.697 31.700 0.048 0.000 0.889 192 E N 2.808 123.018 120.200 0.015 0.000 2.390 192 E HA 0.059 4.574 4.350 0.276 0.000 0.261 192 E C 0.946 177.544 176.600 -0.003 0.000 1.076 192 E CA -0.252 56.146 56.400 -0.003 0.000 0.905 192 E CB 0.985 30.671 29.700 -0.024 0.000 0.984 192 E HN 0.311 nan 8.360 nan 0.000 0.427 193 K N 1.139 121.532 120.400 -0.012 0.000 2.057 193 K HA -0.080 4.405 4.320 0.276 0.000 0.206 193 K C 0.568 177.160 176.600 -0.014 0.000 1.050 193 K CA 1.174 57.457 56.287 -0.007 0.000 0.935 193 K CB 0.139 32.631 32.500 -0.014 0.000 0.715 193 K HN 0.246 nan 8.250 nan 0.000 0.439 194 R N 0.469 120.928 120.500 -0.068 0.000 2.407 194 R HA 0.089 4.595 4.340 0.276 0.000 0.303 194 R C 0.927 177.135 176.300 -0.154 0.000 0.981 194 R CA -0.474 55.540 56.100 -0.143 0.000 0.905 194 R CB 0.644 30.787 30.300 -0.261 0.000 1.099 194 R HN 0.331 nan 8.270 nan 0.000 0.459 195 W N 3.231 124.470 121.300 -0.102 0.000 2.350 195 W HA -0.249 4.577 4.660 0.276 0.000 0.289 195 W C 0.390 176.783 176.519 -0.211 0.000 1.215 195 W CA 0.911 58.171 57.345 -0.142 0.000 1.236 195 W CB -0.358 29.034 29.460 -0.114 0.000 1.130 195 W HN 0.572 nan 8.180 nan 0.000 0.541 196 Q N 1.144 120.292 119.800 -1.086 0.000 2.084 196 Q HA -0.166 4.340 4.340 0.276 0.000 0.202 196 Q C 1.835 177.547 176.000 -0.478 0.000 0.978 196 Q CA 2.369 57.499 55.803 -1.122 0.000 0.844 196 Q CB -0.588 27.346 28.738 -1.339 0.000 0.898 196 Q HN 0.225 nan 8.270 nan 0.000 0.426 197 D N -0.140 120.059 120.400 -0.336 0.000 2.183 197 D HA -0.050 4.756 4.640 0.276 0.000 0.203 197 D C 1.786 178.015 176.300 -0.119 0.000 0.969 197 D CA 0.673 54.571 54.000 -0.170 0.000 0.842 197 D CB 0.043 40.769 40.800 -0.125 0.000 0.957 197 D HN 0.278 nan 8.370 nan 0.000 0.484 198 I N 0.499 121.000 120.570 -0.115 0.000 2.179 198 I HA -0.261 4.075 4.170 0.276 0.000 0.242 198 I C 2.572 178.591 176.117 -0.163 0.000 1.088 198 I CA 0.830 62.069 61.300 -0.102 0.000 1.357 198 I CB -0.238 37.719 38.000 -0.071 0.000 1.051 198 I HN -0.069 nan 8.210 nan 0.000 0.409 199 S N 0.618 116.241 115.700 -0.129 0.000 2.356 199 S HA -0.165 4.470 4.470 0.276 0.000 0.223 199 S C 2.118 176.639 174.600 -0.131 0.000 1.032 199 S CA 1.456 59.585 58.200 -0.119 0.000 1.005 199 S CB -0.120 63.087 63.200 0.011 0.000 0.867 199 S HN 0.276 nan 8.310 nan 0.000 0.449 200 M N 0.111 119.660 119.600 -0.086 0.000 2.200 200 M HA 0.040 4.685 4.480 0.276 0.000 0.265 200 M C 2.118 178.418 176.300 0.000 0.000 1.066 200 M CA 0.933 56.224 55.300 -0.016 0.000 1.127 200 M CB -0.278 32.330 32.600 0.013 0.000 1.379 200 M HN 0.312 nan 8.290 nan 0.000 0.420 201 M N 0.020 119.585 119.600 -0.057 0.000 2.446 201 M HA -0.122 4.524 4.480 0.276 0.000 0.263 201 M C 1.906 178.011 176.300 -0.324 0.000 1.066 201 M CA 1.479 56.698 55.300 -0.134 0.000 1.087 201 M CB -0.912 31.633 32.600 -0.092 0.000 1.406 201 M HN 0.253 nan 8.290 nan 0.000 0.459 202 R N -0.597 119.632 120.500 -0.452 0.000 2.117 202 R HA -0.175 4.331 4.340 0.276 0.000 0.243 202 R C 2.084 178.178 176.300 -0.343 0.000 1.143 202 R CA 1.241 56.888 56.100 -0.756 0.000 0.968 202 R CB -0.305 29.366 30.300 -1.048 0.000 0.863 202 R HN 0.321 nan 8.270 nan 0.000 0.444 203 M N 0.768 120.223 119.600 -0.242 0.000 2.108 203 M HA -0.182 4.463 4.480 0.276 0.000 0.261 203 M C 2.179 178.291 176.300 -0.313 0.000 1.066 203 M CA 1.621 56.822 55.300 -0.165 0.000 1.107 203 M CB -0.774 31.799 32.600 -0.046 0.000 1.356 203 M HN 0.098 nan 8.290 nan 0.000 0.406 204 K N -0.255 119.719 120.400 -0.709 0.000 2.025 204 K HA -0.116 4.370 4.320 0.276 0.000 0.207 204 K C 1.853 178.232 176.600 -0.367 0.000 1.049 204 K CA 1.816 57.590 56.287 -0.855 0.000 0.933 204 K CB 0.021 31.604 32.500 -1.529 0.000 0.714 204 K HN 0.254 nan 8.250 nan 0.000 0.438 205 T N 1.771 116.193 114.554 -0.220 0.000 2.746 205 T HA -0.120 4.396 4.350 0.276 0.000 0.267 205 T C 1.911 176.682 174.700 0.119 0.000 1.039 205 T CA 1.537 63.659 62.100 0.036 0.000 1.142 205 T CB -0.196 68.817 68.868 0.243 0.000 0.866 205 T HN 0.181 nan 8.240 nan 0.000 0.444 206 I N 1.348 121.972 120.570 0.089 0.000 2.163 206 I HA -0.146 4.190 4.170 0.276 0.000 0.243 206 I C 2.919 179.006 176.117 -0.050 0.000 1.085 206 I CA 1.440 62.764 61.300 0.040 0.000 1.347 206 I CB -0.788 37.255 38.000 0.072 0.000 1.044 206 I HN 0.326 nan 8.210 nan 0.000 0.408 207 G N 0.196 108.946 108.800 -0.083 0.000 2.446 207 G HA2 -0.248 3.878 3.960 0.276 0.000 0.217 207 G HA3 -0.248 3.878 3.960 0.276 0.000 0.217 207 G C 1.507 176.325 174.900 -0.136 0.000 1.168 207 G CA 0.779 45.810 45.100 -0.114 0.000 0.771 207 G HN 0.426 nan 8.290 nan 0.000 0.551 208 E N -0.266 119.851 120.200 -0.138 0.000 2.085 208 E HA -0.145 4.371 4.350 0.276 0.000 0.194 208 E C 2.268 178.703 176.600 -0.274 0.000 0.994 208 E CA 1.007 57.294 56.400 -0.189 0.000 0.801 208 E CB -0.235 29.345 29.700 -0.200 0.000 0.743 208 E HN 0.543 nan 8.360 nan 0.000 0.453 209 H N 0.076 118.967 119.070 -0.298 0.000 2.428 209 H HA -0.025 4.698 4.556 0.279 0.000 0.296 209 H C 2.294 177.227 175.328 -0.658 0.000 1.062 209 H CA 0.868 56.620 56.048 -0.494 0.000 1.350 209 H CB 0.088 29.518 29.762 -0.553 0.000 1.403 209 H HN 0.182 nan 8.280 nan 0.000 0.533 210 I N 0.263 120.629 120.570 -0.339 0.000 2.127 210 I HA -0.257 4.079 4.170 0.276 0.000 0.241 210 I C 2.512 178.443 176.117 -0.310 0.000 1.075 210 I CA 0.913 62.013 61.300 -0.334 0.000 1.334 210 I CB -0.232 37.636 38.000 -0.219 0.000 1.040 210 I HN 0.007 nan 8.210 nan 0.000 0.405 211 V N 1.019 120.793 119.914 -0.232 0.000 2.295 211 V HA -0.308 3.978 4.120 0.276 0.000 0.246 211 V C 2.689 178.702 176.094 -0.135 0.000 1.049 211 V CA 2.103 64.298 62.300 -0.174 0.000 1.024 211 V CB -1.068 30.680 31.823 -0.124 0.000 0.648 211 V HN 0.509 nan 8.190 nan 0.000 0.447 212 A N 0.083 122.817 122.820 -0.143 0.000 1.902 212 A HA -0.201 4.284 4.320 0.276 0.000 0.217 212 A C 1.933 179.600 177.584 0.137 0.000 1.181 212 A CA 2.599 54.624 52.037 -0.020 0.000 0.623 212 A CB -0.400 18.569 19.000 -0.052 0.000 0.818 212 A HN 0.979 nan 8.150 nan 0.000 0.443 213 H N -5.307 113.748 119.070 -0.025 0.000 2.950 213 H HA 0.308 5.029 4.556 0.276 0.000 0.202 213 H C 1.448 176.776 175.328 -0.000 0.000 0.893 213 H CA 0.157 56.253 56.048 0.079 0.000 0.931 213 H CB -0.385 29.444 29.762 0.111 0.000 1.158 213 H HN 0.172 nan 8.280 nan 0.000 0.545 214 I N 2.396 122.619 120.570 -0.579 0.000 2.264 214 I HA -0.273 4.063 4.170 0.276 0.000 0.248 214 I C 2.566 178.563 176.117 -0.199 0.000 1.111 214 I CA 2.097 63.173 61.300 -0.373 0.000 1.382 214 I CB -0.385 37.266 38.000 -0.581 0.000 1.060 214 I HN 0.505 nan 8.210 nan 0.000 0.418 215 Q N 0.440 120.048 119.800 -0.320 0.000 2.234 215 Q HA -0.228 4.278 4.340 0.276 0.000 0.206 215 Q C 1.546 177.368 176.000 -0.297 0.000 0.980 215 Q CA 1.602 57.200 55.803 -0.342 0.000 0.869 215 Q CB -0.440 28.028 28.738 -0.450 0.000 0.912 215 Q HN 0.590 nan 8.270 nan 0.000 0.436 216 H N -0.173 118.892 119.070 -0.008 0.000 2.539 216 H HA 0.210 4.932 4.556 0.277 0.000 0.269 216 H C 0.663 176.019 175.328 0.048 0.000 0.980 216 H CA 0.744 56.804 56.048 0.019 0.000 1.152 216 H CB 0.580 30.362 29.762 0.034 0.000 1.407 216 H HN 0.562 nan 8.280 nan 0.000 0.564 217 E N 0.482 120.773 120.200 0.151 0.000 2.364 217 E HA 0.098 4.614 4.350 0.276 0.000 0.203 217 E C 0.460 177.139 176.600 0.132 0.000 0.888 217 E CA 0.120 56.627 56.400 0.177 0.000 0.989 217 E CB 1.359 31.237 29.700 0.296 0.000 0.985 217 E HN 0.131 nan 8.360 nan 0.000 0.499 218 V N -1.956 118.015 119.914 0.094 0.000 3.102 218 V HA 0.360 4.646 4.120 0.276 0.000 0.312 218 V C -0.294 175.780 176.094 -0.034 0.000 1.135 218 V CA -0.819 61.523 62.300 0.071 0.000 1.022 218 V CB 2.206 34.117 31.823 0.147 0.000 1.056 218 V HN -0.123 nan 8.190 nan 0.000 0.436 219 D N 0.514 120.867 120.400 -0.078 0.000 2.277 219 D HA 0.236 5.041 4.640 0.276 0.000 0.209 219 D C -0.359 175.529 176.300 -0.686 0.000 0.970 219 D CA 1.492 55.286 54.000 -0.343 0.000 0.874 219 D CB 0.598 41.224 40.800 -0.290 0.000 0.982 219 D HN 0.509 nan 8.370 nan 0.000 0.504 220 F N 0.218 120.147 119.950 -0.035 0.000 2.588 220 F HA 0.440 5.135 4.527 0.280 0.000 0.310 220 F C -0.672 175.125 175.800 -0.005 0.000 1.082 220 F CA -1.179 56.780 58.000 -0.068 0.000 0.929 220 F CB 2.264 41.190 39.000 -0.124 0.000 1.254 220 F HN -0.324 nan 8.300 nan 0.000 0.455 221 L N 2.398 123.689 121.223 0.113 0.000 2.410 221 L HA 0.696 5.202 4.340 0.276 0.000 0.270 221 L C -1.950 174.885 176.870 -0.059 0.000 0.983 221 L CA -0.417 54.489 54.840 0.111 0.000 0.822 221 L CB 1.401 43.491 42.059 0.052 0.000 1.285 221 L HN 0.457 nan 8.230 nan 0.000 0.409 222 F N 3.081 123.136 119.950 0.174 0.000 2.450 222 F HA 0.599 5.311 4.527 0.307 0.000 0.332 222 F C -0.159 175.575 175.800 -0.110 0.000 1.093 222 F CA -0.215 57.814 58.000 0.049 0.000 1.003 222 F CB 1.705 40.795 39.000 0.151 0.000 1.151 222 F HN 0.407 nan 8.300 nan 0.000 0.474 223 C N 4.688 123.865 119.300 -0.205 0.000 2.319 223 C HA 0.733 5.359 4.460 0.276 0.000 0.323 223 C C -0.201 174.579 174.990 -0.349 0.000 1.277 223 C CA -1.051 57.730 59.018 -0.395 0.000 1.517 223 C CB -0.104 27.103 27.740 -0.888 0.000 2.206 223 C HN 0.695 nan 8.230 nan 0.000 0.486 224 M N 1.855 121.367 119.600 -0.146 0.000 2.518 224 M HA 0.337 4.983 4.480 0.276 0.000 0.300 224 M C -1.019 175.165 176.300 -0.193 0.000 1.175 224 M CA -0.428 54.793 55.300 -0.131 0.000 0.890 224 M CB 1.909 34.494 32.600 -0.026 0.000 1.710 224 M HN 0.555 nan 8.290 nan 0.000 0.453 225 D N 1.035 121.312 120.400 -0.205 0.000 2.400 225 D HA 0.026 4.831 4.640 0.276 0.000 0.238 225 D C 0.616 176.678 176.300 -0.397 0.000 1.157 225 D CA 0.081 53.941 54.000 -0.234 0.000 0.889 225 D CB 1.480 42.143 40.800 -0.228 0.000 1.199 225 D HN 0.312 nan 8.370 nan 0.000 0.436 226 V N 1.411 121.118 119.914 -0.345 0.000 2.951 226 V HA -0.096 4.189 4.120 0.276 0.000 0.255 226 V C 0.535 176.507 176.094 -0.205 0.000 1.088 226 V CA 0.944 62.989 62.300 -0.426 0.000 1.109 226 V CB -0.209 31.526 31.823 -0.146 0.000 0.724 226 V HN 0.567 nan 8.190 nan 0.000 0.471 227 D N 1.695 121.916 120.400 -0.299 0.000 3.032 227 D HA 0.097 4.903 4.640 0.276 0.000 0.241 227 D C 0.184 176.302 176.300 -0.302 0.000 1.196 227 D CA -0.131 53.483 54.000 -0.644 0.000 0.927 227 D CB -0.219 40.081 40.800 -0.833 0.000 1.129 227 D HN 0.768 nan 8.370 nan 0.000 0.458 228 Q N -1.889 117.873 119.800 -0.063 0.000 2.630 228 Q HA 0.618 5.124 4.340 0.276 0.000 0.295 228 Q C -1.779 174.309 176.000 0.147 0.000 0.944 228 Q CA -1.208 54.622 55.803 0.044 0.000 0.766 228 Q CB 1.578 30.302 28.738 -0.024 0.000 1.471 228 Q HN -0.052 nan 8.270 nan 0.000 0.416 229 V N 1.196 121.160 119.914 0.084 0.000 2.686 229 V HA 0.439 4.725 4.120 0.276 0.000 0.306 229 V C -0.971 175.127 176.094 0.006 0.000 1.065 229 V CA -0.707 61.646 62.300 0.088 0.000 0.894 229 V CB 1.510 33.429 31.823 0.160 0.000 1.004 229 V HN 0.695 nan 8.190 nan 0.000 0.424 230 F N 3.312 123.250 119.950 -0.019 0.000 2.538 230 F HA 0.206 4.973 4.527 0.400 0.000 0.371 230 F C 1.518 177.322 175.800 0.007 0.000 1.087 230 F CA 0.482 58.487 58.000 0.008 0.000 1.250 230 F CB 0.778 39.798 39.000 0.033 0.000 1.110 230 F HN 0.514 nan 8.300 nan 0.000 0.570 231 Q N 0.875 120.689 119.800 0.022 0.000 2.391 231 Q HA 0.162 4.668 4.340 0.276 0.000 0.243 231 Q C -0.060 175.677 176.000 -0.438 0.000 0.874 231 Q CA 0.517 56.271 55.803 -0.083 0.000 0.950 231 Q CB 0.884 29.663 28.738 0.067 0.000 1.103 231 Q HN 0.655 nan 8.270 nan 0.000 0.544 232 D N -0.507 119.570 120.400 -0.540 0.000 2.759 232 D HA 0.158 4.964 4.640 0.276 0.000 0.321 232 D C -0.862 175.342 176.300 -0.160 0.000 1.267 232 D CA -0.515 53.202 54.000 -0.471 0.000 0.933 232 D CB 1.431 42.154 40.800 -0.129 0.000 1.431 232 D HN -0.325 nan 8.370 nan 0.000 0.504 233 K N 0.981 121.437 120.400 0.093 0.000 2.453 233 K HA 0.060 4.546 4.320 0.276 0.000 0.280 233 K C -0.305 176.432 176.600 0.227 0.000 1.045 233 K CA 0.351 56.767 56.287 0.216 0.000 1.059 233 K CB -0.310 32.298 32.500 0.180 0.000 0.901 233 K HN 0.305 nan 8.250 nan 0.000 0.475 234 F N 2.626 122.673 119.950 0.162 0.000 2.451 234 F HA 0.331 4.956 4.527 0.162 0.000 0.367 234 F C 0.570 176.350 175.800 -0.033 0.000 1.100 234 F CA -0.453 57.673 58.000 0.210 0.000 1.171 234 F CB 0.642 39.942 39.000 0.501 0.000 1.405 234 F HN 0.566 nan 8.300 nan 0.000 0.482 235 G N 1.442 110.231 108.800 -0.018 0.000 2.971 235 G HA2 0.323 4.449 3.960 0.276 0.000 0.235 235 G HA3 0.323 4.449 3.960 0.276 0.000 0.235 235 G C 0.787 175.529 174.900 -0.263 0.000 1.351 235 G CA -0.109 44.916 45.100 -0.125 0.000 1.039 235 G HN 0.490 nan 8.290 nan 0.000 0.563 236 V N -0.642 119.107 119.914 -0.275 0.000 3.026 236 V HA -0.075 4.211 4.120 0.276 0.000 0.265 236 V C 2.221 178.064 176.094 -0.419 0.000 1.121 236 V CA 2.300 64.355 62.300 -0.408 0.000 1.142 236 V CB -0.680 30.932 31.823 -0.352 0.000 0.730 236 V HN 0.737 nan 8.190 nan 0.000 0.503 237 E N 2.756 122.712 120.200 -0.406 0.000 2.338 237 E HA -0.217 4.299 4.350 0.276 0.000 0.197 237 E C 1.858 178.123 176.600 -0.558 0.000 1.007 237 E CA 1.784 57.863 56.400 -0.534 0.000 0.849 237 E CB -0.845 28.550 29.700 -0.509 0.000 0.774 237 E HN 0.817 nan 8.360 nan 0.000 0.506 238 T N -1.158 113.098 114.554 -0.498 0.000 3.081 238 T HA 0.228 4.744 4.350 0.276 0.000 0.250 238 T C 1.143 175.760 174.700 -0.139 0.000 1.100 238 T CA -0.340 61.527 62.100 -0.388 0.000 1.038 238 T CB -0.261 68.309 68.868 -0.496 0.000 0.962 238 T HN 0.014 nan 8.240 nan 0.000 0.516 239 L N 1.552 122.554 121.223 -0.368 0.000 2.417 239 L HA 0.649 5.155 4.340 0.276 0.000 0.268 239 L C 0.958 177.538 176.870 -0.484 0.000 1.158 239 L CA -0.063 54.409 54.840 -0.613 0.000 0.819 239 L CB 0.649 41.934 42.059 -1.291 0.000 1.112 239 L HN 0.479 nan 8.230 nan 0.000 0.458 240 G N 0.911 109.502 108.800 -0.349 0.000 2.441 240 G HA2 0.118 4.244 3.960 0.276 0.000 0.294 240 G HA3 0.118 4.244 3.960 0.276 0.000 0.294 240 G C -0.108 174.911 174.900 0.198 0.000 1.393 240 G CA -0.189 44.899 45.100 -0.021 0.000 0.796 240 G HN 0.646 nan 8.290 nan 0.000 0.494 241 E N -0.960 119.358 120.200 0.197 0.000 2.216 241 E HA 0.109 4.625 4.350 0.276 0.000 0.192 241 E C 0.647 177.328 176.600 0.136 0.000 0.988 241 E CA 1.337 57.846 56.400 0.181 0.000 0.834 241 E CB 0.023 29.810 29.700 0.146 0.000 0.772 241 E HN 0.654 nan 8.360 nan 0.000 0.479 242 S N -0.138 115.634 115.700 0.121 0.000 2.603 242 S HA 0.503 5.139 4.470 0.276 0.000 0.274 242 S C -0.883 173.750 174.600 0.056 0.000 1.168 242 S CA -1.041 57.244 58.200 0.142 0.000 0.963 242 S CB 1.851 65.202 63.200 0.252 0.000 1.078 242 S HN 0.002 nan 8.310 nan 0.000 0.477 243 V N 1.969 121.906 119.914 0.038 0.000 2.448 243 V HA 0.915 5.201 4.120 0.276 0.000 0.295 243 V C 0.293 176.372 176.094 -0.025 0.000 1.025 243 V CA -0.361 61.930 62.300 -0.016 0.000 0.859 243 V CB 1.261 33.101 31.823 0.028 0.000 0.988 243 V HN 1.266 nan 8.190 nan 0.000 0.431 244 A N 3.716 126.389 122.820 -0.246 0.000 2.384 244 A HA 0.912 5.398 4.320 0.276 0.000 0.312 244 A C -0.852 176.733 177.584 0.002 0.000 1.113 244 A CA -0.728 51.109 52.037 -0.334 0.000 0.779 244 A CB 1.953 20.176 19.000 -1.296 0.000 1.307 244 A HN 0.738 nan 8.150 nan 0.000 0.436 245 Q N 0.861 120.780 119.800 0.198 0.000 2.331 245 Q HA 0.595 5.101 4.340 0.276 0.000 0.267 245 Q C -1.567 174.631 176.000 0.331 0.000 1.006 245 Q CA -0.218 55.734 55.803 0.248 0.000 0.818 245 Q CB 1.088 30.009 28.738 0.306 0.000 1.276 245 Q HN 0.640 nan 8.270 nan 0.000 0.450 246 L N 3.553 124.896 121.223 0.200 0.000 2.410 246 L HA 0.192 4.698 4.340 0.276 0.000 0.273 246 L C 0.590 177.644 176.870 0.307 0.000 1.144 246 L CA -0.197 54.763 54.840 0.199 0.000 0.863 246 L CB 0.752 42.856 42.059 0.074 0.000 1.140 246 L HN 0.581 nan 8.230 nan 0.000 0.463 247 Q N 2.066 122.092 119.800 0.377 0.000 2.313 247 Q HA 0.069 4.575 4.340 0.276 0.000 0.266 247 Q C 0.788 177.036 176.000 0.413 0.000 0.989 247 Q CA 0.238 56.290 55.803 0.414 0.000 0.890 247 Q CB 1.718 30.764 28.738 0.514 0.000 1.200 247 Q HN 0.828 nan 8.270 nan 0.000 0.396 248 A N 4.165 127.173 122.820 0.313 0.000 1.986 248 A HA -0.191 4.295 4.320 0.276 0.000 0.220 248 A C 1.290 178.852 177.584 -0.037 0.000 1.171 248 A CA 1.298 53.365 52.037 0.050 0.000 0.640 248 A CB -0.512 18.147 19.000 -0.567 0.000 0.811 248 A HN 0.900 nan 8.150 nan 0.000 0.451 249 W N -2.642 118.573 121.300 -0.143 0.000 2.658 249 W HA 0.129 4.951 4.660 0.270 0.000 0.263 249 W C 1.319 177.553 176.519 -0.475 0.000 1.274 249 W CA 0.077 57.157 57.345 -0.443 0.000 1.343 249 W CB -0.204 28.808 29.460 -0.747 0.000 1.106 249 W HN 0.499 nan 8.180 nan 0.000 0.615 250 W N -1.521 119.975 121.300 0.327 0.000 2.870 250 W HA 0.139 4.960 4.660 0.267 0.000 0.358 250 W C 1.729 178.452 176.519 0.339 0.000 1.043 250 W CA -0.550 56.957 57.345 0.270 0.000 1.692 250 W CB -0.901 28.630 29.460 0.119 0.000 1.100 250 W HN -0.020 nan 8.180 nan 0.000 0.557 251 Y N 0.463 121.011 120.300 0.413 0.000 2.421 251 Y HA 0.032 4.761 4.550 0.299 0.000 0.292 251 Y C 1.559 177.715 175.900 0.427 0.000 1.136 251 Y CA 1.320 59.667 58.100 0.413 0.000 1.255 251 Y CB -0.506 38.164 38.460 0.350 0.000 0.991 251 Y HN -0.150 nan 8.280 nan 0.000 0.552 252 K N 0.864 121.107 120.400 -0.262 0.000 2.361 252 K HA 0.373 4.859 4.320 0.276 0.000 0.194 252 K C 0.881 177.522 176.600 0.068 0.000 1.032 252 K CA 0.260 56.437 56.287 -0.185 0.000 1.048 252 K CB 0.309 32.577 32.500 -0.388 0.000 0.842 252 K HN 0.306 nan 8.250 nan 0.000 0.526 253 A N 1.662 124.632 122.820 0.250 0.000 2.366 253 A HA 0.075 4.561 4.320 0.276 0.000 0.249 253 A C -0.534 177.081 177.584 0.051 0.000 1.084 253 A CA -0.204 51.987 52.037 0.257 0.000 0.794 253 A CB 0.199 19.547 19.000 0.581 0.000 1.034 253 A HN 0.082 nan 8.150 nan 0.000 0.491 254 D N 0.759 121.074 120.400 -0.142 0.000 2.304 254 D HA 0.377 5.183 4.640 0.276 0.000 0.247 254 D C -1.582 174.193 176.300 -0.875 0.000 1.089 254 D CA -1.048 52.752 54.000 -0.333 0.000 0.910 254 D CB 0.992 41.689 40.800 -0.171 0.000 1.199 254 D HN 0.182 nan 8.370 nan 0.000 0.426 255 P HA -0.157 nan 4.420 nan 0.000 0.216 255 P C 0.516 177.415 177.300 -0.668 0.000 1.150 255 P CA 1.068 63.472 63.100 -1.159 0.000 0.843 255 P CB 0.208 31.723 31.700 -0.308 0.000 0.787 256 N N -0.928 117.602 118.700 -0.284 0.000 2.520 256 N HA -0.095 4.810 4.740 0.276 0.000 0.185 256 N C 0.932 176.452 175.510 0.018 0.000 1.068 256 N CA 0.930 54.002 53.050 0.036 0.000 0.911 256 N CB -0.594 37.975 38.487 0.136 0.000 0.961 256 N HN 0.212 nan 8.380 nan 0.000 0.446 257 D N -0.553 119.727 120.400 -0.199 0.000 2.346 257 D HA 0.056 4.861 4.640 0.276 0.000 0.206 257 D C 0.227 176.359 176.300 -0.281 0.000 1.001 257 D CA -0.053 53.891 54.000 -0.093 0.000 0.871 257 D CB 0.138 40.975 40.800 0.062 0.000 0.943 257 D HN 0.207 nan 8.370 nan 0.000 0.518 258 F N 1.587 121.227 119.950 -0.516 0.000 2.563 258 F HA -0.023 4.675 4.527 0.286 0.000 0.363 258 F C 1.728 176.935 175.800 -0.988 0.000 1.123 258 F CA -0.169 57.217 58.000 -1.022 0.000 1.307 258 F CB 0.602 38.916 39.000 -1.143 0.000 1.115 258 F HN -0.199 nan 8.300 nan 0.000 0.592 259 T N 0.894 114.786 114.554 -1.103 0.000 3.624 259 T HA 0.172 4.688 4.350 0.276 0.000 0.231 259 T C -0.140 174.534 174.700 -0.044 0.000 0.865 259 T CA -0.352 61.425 62.100 -0.537 0.000 0.926 259 T CB -1.293 67.273 68.868 -0.503 0.000 1.189 259 T HN 0.352 nan 8.240 nan 0.000 0.640 260 Y N 0.892 121.207 120.300 0.025 0.000 2.511 260 Y HA 0.188 4.902 4.550 0.274 0.000 0.347 260 Y C 1.178 177.094 175.900 0.027 0.000 1.257 260 Y CA -1.231 56.925 58.100 0.094 0.000 1.469 260 Y CB 0.471 38.916 38.460 -0.025 0.000 1.353 260 Y HN 0.268 nan 8.280 nan 0.000 0.617 261 E N 1.779 122.095 120.200 0.193 0.000 2.351 261 E HA 0.003 4.519 4.350 0.276 0.000 0.266 261 E C -0.068 176.597 176.600 0.109 0.000 1.031 261 E CA 0.021 56.474 56.400 0.088 0.000 0.911 261 E CB 0.506 30.207 29.700 0.000 0.000 0.986 261 E HN 0.390 nan 8.360 nan 0.000 0.446 262 R N 3.828 124.405 120.500 0.129 0.000 2.437 262 R HA 0.200 4.706 4.340 0.276 0.000 0.257 262 R C -0.101 176.376 176.300 0.296 0.000 0.927 262 R CA -0.060 56.164 56.100 0.206 0.000 1.078 262 R CB 0.144 30.506 30.300 0.102 0.000 1.161 262 R HN 0.385 nan 8.270 nan 0.000 0.529 263 R N 1.919 122.504 120.500 0.142 0.000 2.221 263 R HA 0.110 4.616 4.340 0.276 0.000 0.327 263 R C 1.283 177.407 176.300 -0.294 0.000 1.033 263 R CA -0.126 55.939 56.100 -0.058 0.000 0.887 263 R CB 0.975 31.247 30.300 -0.046 0.000 1.057 263 R HN 0.090 nan 8.270 nan 0.000 0.455 264 K N 1.730 121.692 120.400 -0.730 0.000 2.360 264 K HA -0.187 4.299 4.320 0.276 0.000 0.201 264 K C 0.367 176.733 176.600 -0.390 0.000 1.046 264 K CA 1.471 57.137 56.287 -1.035 0.000 0.940 264 K CB 0.197 32.173 32.500 -0.872 0.000 0.748 264 K HN 0.418 nan 8.250 nan 0.000 0.465 265 E N 1.335 121.395 120.200 -0.233 0.000 2.274 265 E HA -0.011 4.504 4.350 0.276 0.000 0.194 265 E C 0.496 177.051 176.600 -0.076 0.000 0.996 265 E CA 0.436 56.761 56.400 -0.125 0.000 0.840 265 E CB 0.266 29.908 29.700 -0.097 0.000 0.772 265 E HN 0.295 nan 8.360 nan 0.000 0.491 266 S N -0.730 114.933 115.700 -0.061 0.000 2.585 266 S HA 0.469 5.105 4.470 0.276 0.000 0.277 266 S C 1.086 175.697 174.600 0.019 0.000 1.241 266 S CA -0.100 58.089 58.200 -0.018 0.000 1.041 266 S CB 1.391 64.570 63.200 -0.035 0.000 0.987 266 S HN 0.167 nan 8.310 nan 0.000 0.512 267 A N 3.553 126.400 122.820 0.045 0.000 2.121 267 A HA 0.237 4.722 4.320 0.276 0.000 0.218 267 A C 1.975 179.578 177.584 0.031 0.000 1.154 267 A CA 1.363 53.440 52.037 0.068 0.000 0.679 267 A CB -0.868 18.200 19.000 0.114 0.000 0.795 267 A HN 1.154 nan 8.150 nan 0.000 0.458 268 A N -1.683 121.072 122.820 -0.109 0.000 2.251 268 A HA 0.244 4.730 4.320 0.276 0.000 0.209 268 A C 0.726 178.246 177.584 -0.106 0.000 1.187 268 A CA -0.315 51.579 52.037 -0.238 0.000 0.823 268 A CB -0.578 18.044 19.000 -0.630 0.000 0.846 268 A HN 0.533 nan 8.150 nan 0.000 0.486 269 Y N 1.003 121.218 120.300 -0.143 0.000 2.805 269 Y HA 0.238 4.954 4.550 0.277 0.000 0.331 269 Y C -0.302 175.513 175.900 -0.142 0.000 1.241 269 Y CA -0.077 57.953 58.100 -0.117 0.000 1.546 269 Y CB -0.139 38.274 38.460 -0.079 0.000 1.248 269 Y HN 0.218 nan 8.280 nan 0.000 0.559 270 I N 9.807 129.973 120.570 -0.674 0.000 2.410 270 I HA 0.310 4.646 4.170 0.276 0.000 0.286 270 I C -2.341 173.233 176.117 -0.906 0.000 1.009 270 I CA -2.327 58.511 61.300 -0.771 0.000 1.111 270 I CB 1.812 39.381 38.000 -0.718 0.000 1.262 270 I HN 0.513 nan 8.210 nan 0.000 0.443 271 P HA 0.134 nan 4.420 nan 0.000 0.272 271 P C -0.515 176.654 177.300 -0.217 0.000 1.223 271 P CA -0.152 62.653 63.100 -0.492 0.000 0.784 271 P CB 0.351 31.928 31.700 -0.203 0.000 0.923 272 F N 0.875 120.828 119.950 0.005 0.000 2.602 272 F HA 0.254 4.948 4.527 0.277 0.000 0.367 272 F C 2.042 177.848 175.800 0.011 0.000 1.126 272 F CA 1.972 59.988 58.000 0.027 0.000 1.321 272 F CB -0.443 38.577 39.000 0.033 0.000 1.094 272 F HN 0.676 nan 8.300 nan 0.000 0.594 273 G N 1.226 110.141 108.800 0.191 0.000 2.176 273 G HA2 -0.239 3.886 3.960 0.276 0.000 0.253 273 G HA3 -0.239 3.886 3.960 0.276 0.000 0.253 273 G C -0.145 174.791 174.900 0.060 0.000 0.979 273 G CA -0.107 45.054 45.100 0.101 0.000 0.641 273 G HN 0.600 nan 8.290 nan 0.000 0.530 274 E N -0.647 119.584 120.200 0.052 0.000 2.312 274 E HA 0.612 5.128 4.350 0.276 0.000 0.267 274 E C 0.165 176.842 176.600 0.129 0.000 0.894 274 E CA -0.265 56.154 56.400 0.032 0.000 0.773 274 E CB 2.184 31.849 29.700 -0.058 0.000 1.241 274 E HN 1.488 nan 8.360 nan 0.000 0.432 275 G N 1.742 110.625 108.800 0.139 0.000 2.627 275 G HA2 -0.092 4.034 3.960 0.276 0.000 0.680 275 G HA3 -0.092 4.034 3.960 0.276 0.000 0.680 275 G C -0.556 174.502 174.900 0.264 0.000 1.341 275 G CA -0.656 44.633 45.100 0.315 0.000 0.835 275 G HN 0.533 nan 8.290 nan 0.000 0.643 276 D N -0.097 120.466 120.400 0.272 0.000 2.566 276 D HA 0.275 5.081 4.640 0.276 0.000 0.253 276 D C 0.587 176.714 176.300 -0.288 0.000 0.992 276 D CA 1.231 55.255 54.000 0.040 0.000 0.940 276 D CB 0.413 41.431 40.800 0.364 0.000 1.095 276 D HN 0.307 nan 8.370 nan 0.000 0.480 277 F N -1.054 119.029 119.950 0.220 0.000 2.643 277 F HA 0.325 5.023 4.527 0.286 0.000 0.314 277 F C -0.909 174.465 175.800 -0.710 0.000 1.096 277 F CA -1.319 56.569 58.000 -0.187 0.000 0.953 277 F CB 1.773 40.527 39.000 -0.410 0.000 1.345 277 F HN -0.278 nan 8.300 nan 0.000 0.468 278 Y N 1.982 121.658 120.300 -1.040 0.000 2.404 278 Y HA 0.449 5.160 4.550 0.268 0.000 0.344 278 Y C -1.153 174.560 175.900 -0.311 0.000 0.970 278 Y CA -0.839 56.768 58.100 -0.822 0.000 1.180 278 Y CB 0.233 38.001 38.460 -1.154 0.000 1.138 278 Y HN 0.391 nan 8.280 nan 0.000 0.510 279 Y N 4.331 124.475 120.300 -0.260 0.000 2.310 279 Y HA 0.200 4.909 4.550 0.265 0.000 0.326 279 Y C 0.331 176.218 175.900 -0.022 0.000 1.151 279 Y CA -0.503 57.588 58.100 -0.015 0.000 1.195 279 Y CB 0.594 39.148 38.460 0.157 0.000 1.210 279 Y HN 0.561 nan 8.280 nan 0.000 0.483 280 H N 1.683 120.902 119.070 0.248 0.000 2.620 280 H HA 0.358 5.052 4.556 0.231 0.000 0.313 280 H C 0.276 175.743 175.328 0.231 0.000 1.075 280 H CA -0.246 55.934 56.048 0.221 0.000 1.397 280 H CB 1.310 31.231 29.762 0.265 0.000 1.446 280 H HN 0.983 nan 8.280 nan 0.000 0.493 281 A N 4.128 127.111 122.820 0.272 0.000 2.206 281 A HA 0.035 4.521 4.320 0.276 0.000 0.211 281 A C 2.133 179.773 177.584 0.092 0.000 1.158 281 A CA 0.847 53.006 52.037 0.203 0.000 0.761 281 A CB -0.319 18.786 19.000 0.176 0.000 0.801 281 A HN 0.802 nan 8.150 nan 0.000 0.473 282 A N -0.350 122.267 122.820 -0.338 0.000 2.067 282 A HA 0.284 4.770 4.320 0.276 0.000 0.219 282 A C 0.779 178.258 177.584 -0.174 0.000 1.158 282 A CA 0.782 52.557 52.037 -0.436 0.000 0.661 282 A CB -0.240 18.166 19.000 -0.991 0.000 0.801 282 A HN 0.458 nan 8.150 nan 0.000 0.452 283 I N -0.408 120.165 120.570 0.005 0.000 2.548 283 I HA 0.498 4.834 4.170 0.276 0.000 0.287 283 I C -1.128 175.220 176.117 0.384 0.000 1.103 283 I CA -0.720 60.668 61.300 0.147 0.000 1.049 283 I CB 2.013 40.119 38.000 0.178 0.000 1.232 283 I HN 0.300 nan 8.210 nan 0.000 0.429 284 F N 3.549 123.669 119.950 0.282 0.000 2.645 284 F HA 1.005 5.695 4.527 0.272 0.000 0.310 284 F C -0.171 175.760 175.800 0.218 0.000 1.102 284 F CA -0.631 57.541 58.000 0.286 0.000 0.952 284 F CB 1.713 40.868 39.000 0.258 0.000 1.326 284 F HN 0.538 nan 8.300 nan 0.000 0.456 285 G N -0.624 108.264 108.800 0.147 0.000 2.561 285 G HA2 0.782 4.908 3.960 0.276 0.000 0.310 285 G HA3 0.782 4.908 3.960 0.276 0.000 0.310 285 G C -0.796 173.998 174.900 -0.176 0.000 1.292 285 G CA -0.270 44.631 45.100 -0.332 0.000 0.811 285 G HN 2.026 nan 8.290 nan 0.000 0.482 286 G N -1.754 106.888 108.800 -0.263 0.000 2.339 286 G HA2 0.558 4.684 3.960 0.276 0.000 0.275 286 G HA3 0.558 4.684 3.960 0.276 0.000 0.275 286 G C 0.030 174.972 174.900 0.070 0.000 1.323 286 G CA 0.842 45.936 45.100 -0.010 0.000 0.927 286 G HN 1.986 nan 8.290 nan 0.000 0.486 287 T N -0.412 114.174 114.554 0.054 0.000 2.900 287 T HA 0.490 5.006 4.350 0.276 0.000 0.307 287 T C -1.162 173.485 174.700 -0.088 0.000 1.065 287 T CA -0.178 61.853 62.100 -0.115 0.000 1.105 287 T CB 1.561 70.341 68.868 -0.147 0.000 0.979 287 T HN 0.223 nan 8.240 nan 0.000 0.544 288 P HA -0.111 nan 4.420 nan 0.000 0.216 288 P C 1.701 178.942 177.300 -0.098 0.000 1.153 288 P CA 1.272 64.303 63.100 -0.116 0.000 0.858 288 P CB -0.276 31.332 31.700 -0.153 0.000 0.789 289 T N -0.508 113.991 114.554 -0.092 0.000 2.684 289 T HA -0.194 4.322 4.350 0.276 0.000 0.267 289 T C 1.815 176.496 174.700 -0.032 0.000 1.036 289 T CA 1.300 63.362 62.100 -0.063 0.000 1.148 289 T CB -0.670 68.167 68.868 -0.051 0.000 0.863 289 T HN 0.169 nan 8.240 nan 0.000 0.436 290 Q N 0.417 120.212 119.800 -0.008 0.000 2.079 290 Q HA 0.013 4.519 4.340 0.276 0.000 0.200 290 Q C 2.711 178.714 176.000 0.005 0.000 0.974 290 Q CA 0.873 56.696 55.803 0.033 0.000 0.840 290 Q CB -0.860 27.926 28.738 0.079 0.000 0.898 290 Q HN 0.419 nan 8.270 nan 0.000 0.430 291 V N 1.435 121.349 119.914 0.000 0.000 2.407 291 V HA -0.231 4.055 4.120 0.276 0.000 0.248 291 V C 2.373 178.438 176.094 -0.047 0.000 1.055 291 V CA 1.300 63.608 62.300 0.014 0.000 1.049 291 V CB -0.725 31.120 31.823 0.036 0.000 0.662 291 V HN 0.212 nan 8.190 nan 0.000 0.455 292 L N 1.057 122.241 121.223 -0.066 0.000 2.013 292 L HA -0.219 4.287 4.340 0.276 0.000 0.212 292 L C 2.133 178.944 176.870 -0.098 0.000 1.073 292 L CA 2.487 57.276 54.840 -0.085 0.000 0.753 292 L CB -1.015 40.993 42.059 -0.086 0.000 0.890 292 L HN 0.395 nan 8.230 nan 0.000 0.432 293 N N -0.609 118.041 118.700 -0.083 0.000 2.142 293 N HA -0.165 4.741 4.740 0.276 0.000 0.186 293 N C 1.819 177.169 175.510 -0.267 0.000 1.023 293 N CA 1.778 54.787 53.050 -0.070 0.000 0.852 293 N CB -0.236 38.280 38.487 0.049 0.000 0.998 293 N HN 0.463 nan 8.380 nan 0.000 0.424 294 I N -0.072 120.189 120.570 -0.516 0.000 2.091 294 I HA -0.352 3.983 4.170 0.276 0.000 0.239 294 I C 2.348 178.030 176.117 -0.725 0.000 1.061 294 I CA 1.837 62.449 61.300 -1.147 0.000 1.317 294 I CB -0.835 36.643 38.000 -0.869 0.000 1.031 294 I HN 0.395 nan 8.210 nan 0.000 0.401 295 T N -1.703 112.627 114.554 -0.373 0.000 2.777 295 T HA -0.201 4.315 4.350 0.276 0.000 0.266 295 T C 1.817 176.430 174.700 -0.146 0.000 1.040 295 T CA 1.099 63.065 62.100 -0.223 0.000 1.141 295 T CB -0.491 68.322 68.868 -0.091 0.000 0.868 295 T HN 0.382 nan 8.240 nan 0.000 0.444 296 Q N 0.428 120.153 119.800 -0.124 0.000 2.061 296 Q HA -0.127 4.379 4.340 0.276 0.000 0.204 296 Q C 2.642 178.623 176.000 -0.031 0.000 0.984 296 Q CA 1.572 57.346 55.803 -0.048 0.000 0.846 296 Q CB -0.088 28.624 28.738 -0.043 0.000 0.902 296 Q HN 0.537 nan 8.270 nan 0.000 0.421 297 E N -0.114 120.041 120.200 -0.076 0.000 2.107 297 E HA -0.133 4.383 4.350 0.276 0.000 0.191 297 E C 2.119 178.688 176.600 -0.053 0.000 0.982 297 E CA 0.662 57.052 56.400 -0.015 0.000 0.809 297 E CB -0.343 29.439 29.700 0.137 0.000 0.756 297 E HN 0.375 nan 8.360 nan 0.000 0.459 298 C N 0.507 119.720 119.300 -0.144 0.000 2.432 298 C HA -0.118 4.508 4.460 0.276 0.000 0.277 298 C C 2.491 177.373 174.990 -0.180 0.000 1.249 298 C CA 0.361 59.286 59.018 -0.154 0.000 1.725 298 C CB -1.209 26.396 27.740 -0.225 0.000 2.028 298 C HN 0.323 nan 8.230 nan 0.000 0.477 299 F N 1.716 121.522 119.950 -0.240 0.000 2.234 299 F HA -0.074 4.618 4.527 0.275 0.000 0.299 299 F C 2.269 177.952 175.800 -0.195 0.000 1.087 299 F CA 1.495 59.362 58.000 -0.222 0.000 1.340 299 F CB -0.409 38.492 39.000 -0.164 0.000 1.031 299 F HN 0.164 nan 8.300 nan 0.000 0.500 300 K N -0.377 119.937 120.400 -0.142 0.000 2.063 300 K HA -0.141 4.345 4.320 0.276 0.000 0.208 300 K C 2.380 178.841 176.600 -0.232 0.000 1.048 300 K CA 1.320 57.501 56.287 -0.176 0.000 0.928 300 K CB -0.932 31.525 32.500 -0.071 0.000 0.713 300 K HN 0.407 nan 8.250 nan 0.000 0.442 301 G N 1.144 109.814 108.800 -0.217 0.000 2.418 301 G HA2 -0.226 3.899 3.960 0.276 0.000 0.217 301 G HA3 -0.226 3.899 3.960 0.276 0.000 0.217 301 G C 1.489 176.160 174.900 -0.382 0.000 1.158 301 G CA 0.699 45.696 45.100 -0.172 0.000 0.771 301 G HN 0.147 nan 8.290 nan 0.000 0.545 302 I N 0.350 120.461 120.570 -0.766 0.000 2.226 302 I HA -0.137 4.199 4.170 0.276 0.000 0.245 302 I C 2.684 178.510 176.117 -0.486 0.000 1.100 302 I CA 0.741 61.630 61.300 -0.684 0.000 1.374 302 I CB -0.144 37.465 38.000 -0.651 0.000 1.057 302 I HN 0.125 nan 8.210 nan 0.000 0.413 303 L N 0.388 121.249 121.223 -0.604 0.000 2.056 303 L HA -0.214 4.292 4.340 0.276 0.000 0.207 303 L C 2.605 179.326 176.870 -0.248 0.000 1.078 303 L CA 1.325 55.892 54.840 -0.454 0.000 0.749 303 L CB -0.577 41.191 42.059 -0.485 0.000 0.901 303 L HN 0.225 nan 8.230 nan 0.000 0.433 304 K N 0.345 120.625 120.400 -0.200 0.000 2.026 304 K HA -0.220 4.266 4.320 0.276 0.000 0.208 304 K C 1.666 178.216 176.600 -0.084 0.000 1.048 304 K CA 1.906 58.125 56.287 -0.113 0.000 0.929 304 K CB -0.012 32.442 32.500 -0.077 0.000 0.713 304 K HN 0.145 nan 8.250 nan 0.000 0.439 305 D N 0.737 121.096 120.400 -0.067 0.000 2.123 305 D HA -0.148 4.657 4.640 0.276 0.000 0.196 305 D C 1.717 177.981 176.300 -0.060 0.000 0.992 305 D CA 1.312 55.293 54.000 -0.032 0.000 0.833 305 D CB 0.015 40.836 40.800 0.035 0.000 0.954 305 D HN 0.265 nan 8.370 nan 0.000 0.455 306 K N 0.230 120.573 120.400 -0.095 0.000 2.103 306 K HA -0.107 4.378 4.320 0.276 0.000 0.207 306 K C 1.862 178.416 176.600 -0.077 0.000 1.048 306 K CA 0.818 57.050 56.287 -0.093 0.000 0.930 306 K CB 0.090 32.517 32.500 -0.122 0.000 0.716 306 K HN 0.002 nan 8.250 nan 0.000 0.444 307 K N 0.651 121.003 120.400 -0.080 0.000 2.288 307 K HA -0.019 4.467 4.320 0.276 0.000 0.201 307 K C 1.035 177.603 176.600 -0.053 0.000 1.048 307 K CA 0.786 57.035 56.287 -0.064 0.000 0.956 307 K CB -0.041 32.420 32.500 -0.066 0.000 0.746 307 K HN 0.164 nan 8.250 nan 0.000 0.461 308 N N 1.372 120.041 118.700 -0.052 0.000 2.235 308 N HA -0.058 4.848 4.740 0.276 0.000 0.209 308 N C -0.623 174.860 175.510 -0.045 0.000 1.122 308 N CA 0.095 53.118 53.050 -0.046 0.000 0.845 308 N CB 0.313 38.773 38.487 -0.044 0.000 1.004 308 N HN 0.075 nan 8.380 nan 0.000 0.499 309 D N 0.905 121.277 120.400 -0.047 0.000 2.689 309 D HA -0.202 4.604 4.640 0.276 0.000 0.237 309 D C -0.728 175.545 176.300 -0.045 0.000 1.148 309 D CA 0.568 54.540 54.000 -0.046 0.000 0.656 309 D CB -1.190 39.585 40.800 -0.041 0.000 1.050 309 D HN 0.437 nan 8.370 nan 0.000 0.426 310 I N -0.073 120.470 120.570 -0.045 0.000 2.802 310 I HA 0.459 4.795 4.170 0.276 0.000 0.298 310 I C -1.128 174.967 176.117 -0.035 0.000 1.176 310 I CA -0.847 60.427 61.300 -0.043 0.000 1.025 310 I CB 1.910 39.885 38.000 -0.042 0.000 1.243 310 I HN 0.022 nan 8.210 nan 0.000 0.424 311 E N 5.336 125.511 120.200 -0.041 0.000 2.241 311 E HA 0.634 5.150 4.350 0.276 0.000 0.263 311 E C -0.891 175.671 176.600 -0.064 0.000 0.882 311 E CA -0.765 55.620 56.400 -0.024 0.000 0.769 311 E CB 1.848 31.531 29.700 -0.028 0.000 1.185 311 E HN 0.747 nan 8.360 nan 0.000 0.415 312 A N 3.555 126.347 122.820 -0.047 0.000 2.531 312 A HA -0.074 4.412 4.320 0.276 0.000 0.236 312 A C 1.124 178.537 177.584 -0.286 0.000 1.062 312 A CA 0.419 52.370 52.037 -0.143 0.000 0.760 312 A CB 0.596 19.465 19.000 -0.217 0.000 0.995 312 A HN 0.966 nan 8.150 nan 0.000 0.501 313 Q N 0.893 120.528 119.800 -0.275 0.000 2.077 313 Q HA -0.188 4.318 4.340 0.276 0.000 0.206 313 Q C 0.292 175.754 176.000 -0.896 0.000 0.989 313 Q CA 2.211 57.724 55.803 -0.483 0.000 0.853 313 Q CB -0.071 28.487 28.738 -0.300 0.000 0.907 313 Q HN 0.872 nan 8.270 nan 0.000 0.418 314 W N -0.325 120.809 121.300 -0.276 0.000 2.862 314 W HA 0.247 5.083 4.660 0.293 0.000 0.426 314 W C -0.123 176.337 176.519 -0.098 0.000 0.950 314 W CA -0.057 57.176 57.345 -0.187 0.000 2.150 314 W CB 0.193 29.722 29.460 0.114 0.000 1.161 314 W HN 0.397 nan 8.180 nan 0.000 0.696 315 H N -0.858 118.322 119.070 0.183 0.000 1.452 315 H HA -0.357 4.363 4.556 0.273 0.000 0.090 315 H C 1.673 177.154 175.328 0.254 0.000 0.692 315 H CA 1.774 57.917 56.048 0.158 0.000 1.901 315 H CB -1.184 28.636 29.762 0.097 0.000 2.257 315 H HN 0.178 nan 8.280 nan 0.000 0.961 316 D N 1.089 121.699 120.400 0.350 0.000 2.218 316 D HA -0.155 4.650 4.640 0.276 0.000 0.204 316 D C 1.732 178.142 176.300 0.183 0.000 0.976 316 D CA 1.681 55.816 54.000 0.226 0.000 0.853 316 D CB -0.476 40.388 40.800 0.105 0.000 0.939 316 D HN 0.692 nan 8.370 nan 0.000 0.481 317 E N 0.905 121.246 120.200 0.234 0.000 2.106 317 E HA -0.139 4.377 4.350 0.276 0.000 0.192 317 E C 1.891 178.576 176.600 0.141 0.000 0.984 317 E CA 1.028 57.543 56.400 0.192 0.000 0.806 317 E CB 0.162 30.037 29.700 0.292 0.000 0.750 317 E HN 0.104 nan 8.360 nan 0.000 0.458 318 S N 0.046 115.851 115.700 0.175 0.000 2.356 318 S HA -0.167 4.468 4.470 0.276 0.000 0.223 318 S C 1.741 176.296 174.600 -0.076 0.000 1.032 318 S CA 1.067 59.306 58.200 0.065 0.000 1.005 318 S CB -0.453 62.733 63.200 -0.024 0.000 0.867 318 S HN 0.446 nan 8.310 nan 0.000 0.449 319 H N 0.396 119.472 119.070 0.010 0.000 2.389 319 H HA 0.018 4.739 4.556 0.275 0.000 0.299 319 H C 2.252 177.521 175.328 -0.099 0.000 1.081 319 H CA 1.247 57.267 56.048 -0.047 0.000 1.345 319 H CB -0.533 29.193 29.762 -0.059 0.000 1.393 319 H HN 0.225 nan 8.280 nan 0.000 0.520 320 L N 1.427 122.633 121.223 -0.028 0.000 2.046 320 L HA -0.142 4.364 4.340 0.276 0.000 0.208 320 L C 1.950 178.765 176.870 -0.093 0.000 1.077 320 L CA 1.389 56.101 54.840 -0.214 0.000 0.747 320 L CB -0.549 41.357 42.059 -0.255 0.000 0.896 320 L HN 0.136 nan 8.230 nan 0.000 0.432 321 N N -0.254 118.463 118.700 0.028 0.000 2.166 321 N HA -0.226 4.679 4.740 0.276 0.000 0.186 321 N C 1.841 177.350 175.510 -0.002 0.000 1.019 321 N CA 1.285 54.406 53.050 0.118 0.000 0.856 321 N CB -0.046 38.471 38.487 0.051 0.000 0.993 321 N HN 0.261 nan 8.380 nan 0.000 0.426 322 K N 0.831 121.176 120.400 -0.092 0.000 2.057 322 K HA -0.141 4.345 4.320 0.276 0.000 0.206 322 K C 2.009 178.557 176.600 -0.087 0.000 1.050 322 K CA 0.998 57.206 56.287 -0.131 0.000 0.935 322 K CB -0.763 31.668 32.500 -0.115 0.000 0.715 322 K HN 0.175 nan 8.250 nan 0.000 0.439 323 Y N -0.096 120.088 120.300 -0.192 0.000 2.097 323 Y HA -0.176 4.539 4.550 0.275 0.000 0.282 323 Y C 1.639 177.421 175.900 -0.198 0.000 1.152 323 Y CA 2.162 60.104 58.100 -0.262 0.000 1.136 323 Y CB -0.367 37.819 38.460 -0.456 0.000 0.975 323 Y HN 0.104 nan 8.280 nan 0.000 0.498 324 F N -1.184 118.773 119.950 0.011 0.000 2.451 324 F HA -0.151 4.540 4.527 0.273 0.000 0.299 324 F C 2.027 177.768 175.800 -0.098 0.000 1.101 324 F CA 0.149 58.092 58.000 -0.094 0.000 1.436 324 F CB -0.063 38.794 39.000 -0.238 0.000 1.074 324 F HN 0.206 nan 8.300 nan 0.000 0.553 325 L N 0.186 121.453 121.223 0.073 0.000 2.072 325 L HA -0.129 4.377 4.340 0.276 0.000 0.205 325 L C 1.862 178.633 176.870 -0.166 0.000 1.079 325 L CA 1.799 56.615 54.840 -0.040 0.000 0.752 325 L CB -0.502 41.488 42.059 -0.114 0.000 0.906 325 L HN 0.064 nan 8.230 nan 0.000 0.436 326 L N -0.630 120.458 121.223 -0.224 0.000 2.095 326 L HA -0.003 4.502 4.340 0.276 0.000 0.204 326 L C 0.369 177.043 176.870 -0.327 0.000 1.080 326 L CA 0.525 55.206 54.840 -0.264 0.000 0.759 326 L CB -0.325 41.569 42.059 -0.275 0.000 0.914 326 L HN 0.261 nan 8.230 nan 0.000 0.439 327 N N 1.312 119.746 118.700 -0.443 0.000 2.706 327 N HA 0.155 5.060 4.740 0.276 0.000 0.240 327 N C -0.890 174.489 175.510 -0.217 0.000 1.039 327 N CA -0.325 52.481 53.050 -0.406 0.000 0.888 327 N CB 1.109 39.175 38.487 -0.702 0.000 1.128 327 N HN 0.039 nan 8.380 nan 0.000 0.512 328 K N 2.063 122.269 120.400 -0.323 0.000 2.448 328 K HA 0.160 4.646 4.320 0.276 0.000 0.278 328 K C -2.066 174.455 176.600 -0.132 0.000 1.009 328 K CA -1.151 54.852 56.287 -0.473 0.000 0.995 328 K CB 0.299 31.982 32.500 -1.362 0.000 0.917 328 K HN 0.323 nan 8.250 nan 0.000 0.481 329 P HA 0.005 nan 4.420 nan 0.000 0.271 329 P C 0.622 178.049 177.300 0.210 0.000 1.216 329 P CA -0.056 63.018 63.100 -0.043 0.000 0.776 329 P CB 0.427 31.833 31.700 -0.489 0.000 0.881 330 T N -0.946 113.695 114.554 0.146 0.000 3.088 330 T HA 0.050 4.566 4.350 0.276 0.000 0.259 330 T C 0.538 175.300 174.700 0.103 0.000 1.122 330 T CA 0.575 62.779 62.100 0.175 0.000 1.095 330 T CB 0.027 68.978 68.868 0.139 0.000 0.930 330 T HN 0.467 nan 8.240 nan 0.000 0.508 331 K N 0.193 120.615 120.400 0.038 0.000 2.543 331 K HA 0.611 5.097 4.320 0.276 0.000 0.255 331 K C -1.951 174.597 176.600 -0.086 0.000 0.934 331 K CA -0.942 55.325 56.287 -0.034 0.000 0.810 331 K CB 1.869 34.343 32.500 -0.042 0.000 1.315 331 K HN 0.176 nan 8.250 nan 0.000 0.433 332 I N 4.614 125.113 120.570 -0.118 0.000 2.530 332 I HA 0.373 4.709 4.170 0.276 0.000 0.297 332 I C -0.548 175.456 176.117 -0.189 0.000 1.011 332 I CA -1.123 60.091 61.300 -0.143 0.000 1.107 332 I CB 1.768 39.669 38.000 -0.166 0.000 1.285 332 I HN 0.396 nan 8.210 nan 0.000 0.436 333 L N 4.213 125.323 121.223 -0.188 0.000 2.309 333 L HA 0.400 4.906 4.340 0.276 0.000 0.282 333 L C 0.645 177.351 176.870 -0.273 0.000 1.036 333 L CA -0.552 54.113 54.840 -0.290 0.000 0.806 333 L CB 1.638 43.487 42.059 -0.349 0.000 1.220 333 L HN 0.719 nan 8.230 nan 0.000 0.429 334 S N 2.417 117.842 115.700 -0.458 0.000 2.580 334 S HA 0.173 4.809 4.470 0.276 0.000 0.266 334 S C -1.847 172.469 174.600 -0.474 0.000 1.354 334 S CA -0.892 56.759 58.200 -0.916 0.000 1.008 334 S CB 0.624 62.630 63.200 -1.990 0.000 0.898 334 S HN 0.469 nan 8.310 nan 0.000 0.555 335 P HA -0.014 nan 4.420 nan 0.000 0.231 335 P C 0.744 177.994 177.300 -0.082 0.000 1.158 335 P CA 0.910 63.924 63.100 -0.145 0.000 0.763 335 P CB -0.108 31.500 31.700 -0.153 0.000 0.805 336 E N -1.625 118.375 120.200 -0.333 0.000 2.204 336 E HA -0.181 4.335 4.350 0.276 0.000 0.195 336 E C 0.982 177.406 176.600 -0.294 0.000 0.990 336 E CA 0.971 57.164 56.400 -0.346 0.000 0.821 336 E CB -0.470 28.983 29.700 -0.412 0.000 0.750 336 E HN 0.435 nan 8.360 nan 0.000 0.477 337 Y N -1.413 118.812 120.300 -0.126 0.000 2.511 337 Y HA 0.101 4.786 4.550 0.225 0.000 0.279 337 Y C 0.632 176.624 175.900 0.152 0.000 1.157 337 Y CA -0.054 58.022 58.100 -0.040 0.000 1.300 337 Y CB 0.799 39.134 38.460 -0.209 0.000 1.052 337 Y HN -0.010 nan 8.280 nan 0.000 0.529 338 C N 1.357 120.832 119.300 0.292 0.000 3.238 338 C HA 0.168 4.793 4.460 0.276 0.000 0.308 338 C C -0.921 174.361 174.990 0.486 0.000 0.971 338 C CA -1.083 58.174 59.018 0.399 0.000 1.207 338 C CB -1.135 26.879 27.740 0.457 0.000 1.696 338 C HN 0.529 nan 8.230 nan 0.000 0.609 339 W N 3.726 125.040 121.300 0.024 0.000 2.469 339 W HA 0.456 5.221 4.660 0.174 0.000 0.320 339 W C -0.850 175.307 176.519 -0.604 0.000 1.086 339 W CA 0.024 57.179 57.345 -0.315 0.000 1.211 339 W CB 1.306 30.485 29.460 -0.468 0.000 1.298 339 W HN 0.584 nan 8.180 nan 0.000 0.525 340 D N 4.228 123.456 120.400 -1.953 0.000 2.396 340 D HA 0.096 4.902 4.640 0.276 0.000 0.225 340 D C 0.460 175.915 176.300 -1.407 0.000 1.121 340 D CA -0.226 52.707 54.000 -1.779 0.000 0.853 340 D CB 0.331 39.839 40.800 -2.153 0.000 1.043 340 D HN 0.354 nan 8.370 nan 0.000 0.500 341 Y N 1.685 121.669 120.300 -0.527 0.000 2.569 341 Y HA -0.179 4.575 4.550 0.339 0.000 0.293 341 Y C 1.960 177.770 175.900 -0.150 0.000 1.144 341 Y CA 0.572 58.569 58.100 -0.172 0.000 1.321 341 Y CB -0.019 38.456 38.460 0.026 0.000 0.982 341 Y HN 0.614 nan 8.280 nan 0.000 0.558 342 H N 0.257 119.233 119.070 -0.156 0.000 2.456 342 H HA -0.145 4.573 4.556 0.270 0.000 0.296 342 H C 1.785 177.005 175.328 -0.180 0.000 1.079 342 H CA 1.628 57.631 56.048 -0.075 0.000 1.322 342 H CB -0.296 29.499 29.762 0.054 0.000 1.388 342 H HN 0.344 nan 8.280 nan 0.000 0.538 343 I N -0.540 119.671 120.570 -0.597 0.000 2.493 343 I HA 0.004 4.340 4.170 0.276 0.000 0.254 343 I C 1.628 177.597 176.117 -0.247 0.000 1.160 343 I CA 0.679 61.552 61.300 -0.712 0.000 1.445 343 I CB -0.346 36.967 38.000 -1.146 0.000 1.086 343 I HN 0.567 nan 8.210 nan 0.000 0.433 344 G N 1.001 109.773 108.800 -0.047 0.000 2.451 344 G HA2 -0.156 3.969 3.960 0.276 0.000 0.208 344 G HA3 -0.156 3.969 3.960 0.276 0.000 0.208 344 G C -1.095 174.016 174.900 0.353 0.000 1.248 344 G CA -0.497 44.674 45.100 0.119 0.000 0.989 344 G HN 0.049 nan 8.290 nan 0.000 0.559 345 L N 2.469 123.822 121.223 0.217 0.000 2.514 345 L HA 0.592 5.097 4.340 0.276 0.000 0.257 345 L C -1.631 175.244 176.870 0.007 0.000 1.101 345 L CA -1.136 53.783 54.840 0.132 0.000 0.911 345 L CB 1.056 43.195 42.059 0.134 0.000 1.162 345 L HN 0.731 nan 8.230 nan 0.000 0.477 346 P HA 0.360 nan 4.420 nan 0.000 0.277 346 P C 0.628 177.881 177.300 -0.078 0.000 1.271 346 P CA -0.285 62.800 63.100 -0.024 0.000 0.795 346 P CB 0.973 32.693 31.700 0.032 0.000 1.101 347 A N 0.344 123.135 122.820 -0.049 0.000 1.940 347 A HA -0.210 4.275 4.320 0.276 0.000 0.219 347 A C 1.745 179.280 177.584 -0.081 0.000 1.176 347 A CA 2.045 54.045 52.037 -0.061 0.000 0.631 347 A CB -1.232 17.740 19.000 -0.047 0.000 0.814 347 A HN 0.548 nan 8.150 nan 0.000 0.446 348 D N -0.266 120.096 120.400 -0.064 0.000 2.218 348 D HA -0.058 4.747 4.640 0.276 0.000 0.204 348 D C 0.401 176.677 176.300 -0.040 0.000 0.976 348 D CA 0.689 54.654 54.000 -0.058 0.000 0.853 348 D CB -0.113 40.735 40.800 0.079 0.000 0.939 348 D HN 0.303 nan 8.370 nan 0.000 0.481 349 I N 1.819 122.260 120.570 -0.216 0.000 2.276 349 I HA 0.075 4.411 4.170 0.276 0.000 0.290 349 I C 1.257 177.224 176.117 -0.249 0.000 1.109 349 I CA -0.204 60.866 61.300 -0.382 0.000 1.229 349 I CB 1.028 38.428 38.000 -1.000 0.000 1.452 349 I HN -0.244 nan 8.210 nan 0.000 0.497 350 K N 3.766 124.088 120.400 -0.130 0.000 2.166 350 K HA 0.172 4.658 4.320 0.276 0.000 0.201 350 K C 0.239 176.787 176.600 -0.087 0.000 1.052 350 K CA 0.642 56.878 56.287 -0.086 0.000 0.969 350 K CB 0.501 32.979 32.500 -0.037 0.000 0.761 350 K HN 0.339 nan 8.250 nan 0.000 0.459 351 L N 0.907 122.063 121.223 -0.110 0.000 2.555 351 L HA 0.249 4.754 4.340 0.276 0.000 0.264 351 L C -1.344 175.425 176.870 -0.168 0.000 0.972 351 L CA -0.491 54.289 54.840 -0.100 0.000 0.876 351 L CB 1.923 43.946 42.059 -0.059 0.000 1.216 351 L HN -0.279 nan 8.230 nan 0.000 0.415 352 V N 5.930 125.764 119.914 -0.132 0.000 2.508 352 V HA 0.179 4.465 4.120 0.276 0.000 0.281 352 V C 0.888 176.912 176.094 -0.117 0.000 1.041 352 V CA -0.047 62.167 62.300 -0.143 0.000 1.016 352 V CB 0.973 32.766 31.823 -0.050 0.000 0.984 352 V HN 0.766 nan 8.190 nan 0.000 0.478 353 K N 3.489 123.781 120.400 -0.180 0.000 2.308 353 K HA 0.346 4.831 4.320 0.276 0.000 0.197 353 K C 0.178 176.824 176.600 0.077 0.000 1.049 353 K CA 0.440 56.675 56.287 -0.087 0.000 0.991 353 K CB 0.308 32.658 32.500 -0.250 0.000 0.836 353 K HN 0.639 nan 8.250 nan 0.000 0.500 354 M N -0.006 119.625 119.600 0.052 0.000 2.413 354 M HA 0.294 4.940 4.480 0.276 0.000 0.287 354 M C -1.788 174.566 176.300 0.089 0.000 1.186 354 M CA -0.388 54.923 55.300 0.019 0.000 0.927 354 M CB 2.289 34.850 32.600 -0.064 0.000 1.715 354 M HN 0.016 nan 8.290 nan 0.000 0.478 355 S N 2.198 117.968 115.700 0.117 0.000 2.542 355 S HA 0.778 5.414 4.470 0.276 0.000 0.293 355 S C -1.527 173.255 174.600 0.303 0.000 1.089 355 S CA -0.747 57.558 58.200 0.174 0.000 0.961 355 S CB 0.800 64.121 63.200 0.201 0.000 1.062 355 S HN 0.685 nan 8.310 nan 0.000 0.483 356 W N 2.068 123.367 121.300 -0.001 0.000 2.181 356 W HA 0.308 5.023 4.660 0.092 0.000 0.335 356 W C 0.889 177.430 176.519 0.036 0.000 1.310 356 W CA -0.716 56.640 57.345 0.018 0.000 1.226 356 W CB 0.019 29.493 29.460 0.024 0.000 1.155 356 W HN 0.574 nan 8.180 nan 0.000 0.565 357 Q N 1.578 121.494 119.800 0.193 0.000 2.340 357 Q HA 0.149 4.654 4.340 0.276 0.000 0.249 357 Q C 0.255 176.344 176.000 0.149 0.000 0.957 357 Q CA -0.034 55.857 55.803 0.147 0.000 0.882 357 Q CB 0.651 29.416 28.738 0.044 0.000 1.235 357 Q HN 0.339 nan 8.270 nan 0.000 0.439 358 T N 3.349 117.992 114.554 0.149 0.000 2.934 358 T HA 0.021 4.537 4.350 0.276 0.000 0.306 358 T C 0.367 175.076 174.700 0.014 0.000 1.042 358 T CA -0.167 61.981 62.100 0.080 0.000 1.145 358 T CB 0.328 69.232 68.868 0.061 0.000 0.982 358 T HN 0.105 nan 8.240 nan 0.000 0.544 359 K N 3.296 123.624 120.400 -0.121 0.000 2.326 359 K HA 0.162 4.648 4.320 0.276 0.000 0.275 359 K C 0.494 176.905 176.600 -0.314 0.000 1.018 359 K CA 0.106 56.174 56.287 -0.364 0.000 0.962 359 K CB 0.585 32.631 32.500 -0.756 0.000 0.953 359 K HN 0.682 nan 8.250 nan 0.000 0.475 360 E N 2.168 122.200 120.200 -0.280 0.000 4.017 360 E HA 0.090 4.606 4.350 0.276 0.000 0.205 360 E C 0.216 176.746 176.600 -0.117 0.000 1.054 360 E CA -0.062 56.241 56.400 -0.162 0.000 1.398 360 E CB 0.190 29.828 29.700 -0.103 0.000 1.164 360 E HN 0.530 nan 8.360 nan 0.000 0.445 361 Y N 0.213 120.435 120.300 -0.130 0.000 2.256 361 Y HA -0.286 4.427 4.550 0.273 0.000 0.288 361 Y C 2.467 178.287 175.900 -0.132 0.000 1.155 361 Y CA 0.944 58.943 58.100 -0.168 0.000 1.203 361 Y CB -0.067 38.288 38.460 -0.174 0.000 0.980 361 Y HN 0.293 nan 8.280 nan 0.000 0.530 362 N N 0.354 119.089 118.700 0.057 0.000 2.149 362 N HA -0.163 4.743 4.740 0.276 0.000 0.188 362 N C 1.382 176.887 175.510 -0.009 0.000 1.019 362 N CA 1.542 54.606 53.050 0.024 0.000 0.857 362 N CB -0.260 38.237 38.487 0.016 0.000 0.997 362 N HN 0.075 nan 8.380 nan 0.000 0.426 363 V N -0.322 119.555 119.914 -0.062 0.000 2.436 363 V HA -0.059 4.227 4.120 0.276 0.000 0.240 363 V C 2.212 178.218 176.094 -0.146 0.000 1.040 363 V CA 1.305 63.540 62.300 -0.109 0.000 1.052 363 V CB -0.258 31.462 31.823 -0.172 0.000 0.707 363 V HN 0.409 nan 8.190 nan 0.000 0.469 364 V N -1.456 118.317 119.914 -0.236 0.000 3.129 364 V HA 0.148 4.434 4.120 0.276 0.000 0.259 364 V C 1.090 177.223 176.094 0.065 0.000 1.116 364 V CA 0.627 62.792 62.300 -0.225 0.000 1.127 364 V CB -0.677 30.764 31.823 -0.637 0.000 0.742 364 V HN 0.382 nan 8.190 nan 0.000 0.474 365 R N 0.957 121.476 120.500 0.033 0.000 2.604 365 R HA 0.516 5.021 4.340 0.276 0.000 0.287 365 R C -0.158 176.186 176.300 0.072 0.000 0.970 365 R CA -0.373 55.754 56.100 0.045 0.000 0.946 365 R CB 0.992 31.140 30.300 -0.253 0.000 1.127 365 R HN 0.173 nan 8.270 nan 0.000 0.473 366 N N 1.158 119.941 118.700 0.139 0.000 2.171 366 N HA 0.026 4.932 4.740 0.276 0.000 0.212 366 N C -0.883 174.709 175.510 0.136 0.000 1.184 366 N CA 0.076 53.196 53.050 0.117 0.000 0.888 366 N CB 0.369 38.917 38.487 0.102 0.000 1.038 366 N HN 0.628 nan 8.380 nan 0.000 0.517 367 N N -1.159 117.673 118.700 0.220 0.000 2.525 367 N HA 0.242 5.148 4.740 0.276 0.000 0.270 367 N C -0.514 175.175 175.510 0.299 0.000 1.321 367 N CA -0.479 52.694 53.050 0.206 0.000 0.797 367 N CB 1.599 40.171 38.487 0.141 0.000 1.529 367 N HN -0.381 nan 8.380 nan 0.000 0.491 368 V N 0.000 120.039 119.914 0.208 0.000 2.409 368 V HA 0.000 4.286 4.120 0.276 0.000 0.244 368 V CA 0.000 62.438 62.300 0.230 0.000 1.235 368 V CB 0.000 31.896 31.823 0.121 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556