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 1gww_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 0.000 176.611 176.600 0.019 0.000 0.988 82 K CA 0.000 56.348 56.287 0.102 0.000 0.838 82 K CB 0.000 32.591 32.500 0.151 0.000 1.064 83 L N 2.820 123.985 121.223 -0.096 0.000 2.416 83 L HA 0.320 5.469 4.340 1.348 0.000 0.272 83 L C -0.568 176.265 176.870 -0.061 0.000 1.161 83 L CA 0.604 55.258 54.840 -0.310 0.000 0.845 83 L CB 0.947 42.544 42.059 -0.771 0.000 1.119 83 L HN -0.040 nan 8.230 nan 0.000 0.464 84 K N 3.802 124.204 120.400 0.003 0.000 2.259 84 K HA 0.187 5.316 4.320 1.348 0.000 0.249 84 K C 0.529 177.204 176.600 0.125 0.000 0.942 84 K CA -0.686 55.640 56.287 0.066 0.000 0.816 84 K CB 1.822 34.345 32.500 0.038 0.000 1.155 84 K HN 0.651 nan 8.250 nan 0.000 0.428 85 L N 3.379 124.658 121.223 0.095 0.000 2.013 85 L HA -0.235 4.913 4.340 1.348 0.000 0.212 85 L C 1.952 178.658 176.870 -0.275 0.000 1.073 85 L CA 2.802 57.607 54.840 -0.059 0.000 0.753 85 L CB -0.820 41.212 42.059 -0.045 0.000 0.890 85 L HN 0.832 nan 8.230 nan 0.000 0.432 86 S N -1.937 113.706 115.700 -0.095 0.000 2.442 86 S HA -0.172 5.107 4.470 1.348 0.000 0.236 86 S C 1.659 176.223 174.600 -0.060 0.000 1.007 86 S CA 1.003 59.155 58.200 -0.079 0.000 0.965 86 S CB -0.781 62.411 63.200 -0.013 0.000 0.773 86 S HN 0.518 nan 8.310 nan 0.000 0.504 87 D N 1.209 121.608 120.400 -0.003 0.000 2.178 87 D HA -0.070 5.379 4.640 1.348 0.000 0.201 87 D C 1.613 178.013 176.300 0.166 0.000 0.980 87 D CA 1.443 55.492 54.000 0.082 0.000 0.842 87 D CB -0.173 40.695 40.800 0.113 0.000 0.948 87 D HN 0.897 nan 8.370 nan 0.000 0.472 88 W N -1.640 119.707 121.300 0.078 0.000 2.413 88 W HA 0.295 5.753 4.660 1.331 0.000 0.288 88 W C -0.491 176.171 176.519 0.238 0.000 0.958 88 W CA -0.526 56.898 57.345 0.131 0.000 1.333 88 W CB -0.210 29.319 29.460 0.114 0.000 1.002 88 W HN -0.255 nan 8.180 nan 0.000 0.562 89 F N 4.270 123.668 119.950 -0.919 0.000 2.426 89 F HA 0.506 5.836 4.527 1.339 0.000 0.348 89 F C -0.716 174.852 175.800 -0.387 0.000 1.124 89 F CA -1.336 56.148 58.000 -0.861 0.000 1.008 89 F CB 1.083 39.180 39.000 -1.505 0.000 1.139 89 F HN -0.235 nan 8.300 nan 0.000 0.452 90 N N 8.191 126.433 118.700 -0.763 0.000 2.623 90 N HA 0.329 5.878 4.740 1.348 0.000 0.256 90 N C -2.196 172.842 175.510 -0.787 0.000 1.045 90 N CA -2.344 50.385 53.050 -0.535 0.000 0.863 90 N CB 1.895 40.257 38.487 -0.209 0.000 1.182 90 N HN 0.278 nan 8.380 nan 0.000 0.523 91 P HA -0.070 nan 4.420 nan 0.000 0.220 91 P C 0.957 177.872 177.300 -0.641 0.000 1.148 91 P CA 0.866 63.437 63.100 -0.882 0.000 0.803 91 P CB -0.010 31.223 31.700 -0.778 0.000 0.782 92 F N 0.513 120.310 119.950 -0.256 0.000 2.641 92 F HA -0.006 5.333 4.527 1.353 0.000 0.298 92 F C 2.187 177.885 175.800 -0.170 0.000 1.146 92 F CA 0.682 58.576 58.000 -0.176 0.000 1.464 92 F CB -0.694 38.221 39.000 -0.141 0.000 1.101 92 F HN -0.173 nan 8.300 nan 0.000 0.585 93 K N 0.211 120.556 120.400 -0.091 0.000 2.366 93 K HA 0.054 5.183 4.320 1.348 0.000 0.198 93 K C 0.482 177.008 176.600 -0.122 0.000 1.044 93 K CA 0.631 56.860 56.287 -0.097 0.000 0.973 93 K CB 0.066 32.489 32.500 -0.129 0.000 0.767 93 K HN 0.097 nan 8.250 nan 0.000 0.475 94 R N 0.844 121.239 120.500 -0.175 0.000 2.629 94 R HA 0.161 5.310 4.340 1.348 0.000 0.277 94 R C -2.102 174.052 176.300 -0.244 0.000 1.637 94 R CA -1.511 54.457 56.100 -0.219 0.000 1.663 94 R CB 0.829 30.968 30.300 -0.269 0.000 1.228 94 R HN -0.028 nan 8.270 nan 0.000 0.632 95 P HA -0.120 nan 4.420 nan 0.000 0.229 95 P C 0.730 177.940 177.300 -0.149 0.000 1.160 95 P CA 0.915 63.934 63.100 -0.136 0.000 0.777 95 P CB 0.505 32.167 31.700 -0.063 0.000 0.814 96 E N 1.001 121.088 120.200 -0.188 0.000 2.489 96 E HA 0.050 5.209 4.350 1.348 0.000 0.193 96 E C 0.568 177.029 176.600 -0.231 0.000 1.057 96 E CA 0.091 56.385 56.400 -0.177 0.000 0.866 96 E CB -0.479 29.126 29.700 -0.159 0.000 0.916 96 E HN 0.164 nan 8.360 nan 0.000 0.500 97 V N -2.744 116.964 119.914 -0.343 0.000 3.160 97 V HA 0.511 5.440 4.120 1.348 0.000 0.310 97 V C 0.086 176.064 176.094 -0.194 0.000 1.181 97 V CA -1.325 60.741 62.300 -0.390 0.000 1.047 97 V CB 1.727 32.865 31.823 -1.142 0.000 1.068 97 V HN -0.169 nan 8.190 nan 0.000 0.441 98 V N 2.361 122.312 119.914 0.061 0.000 2.446 98 V HA 0.265 5.194 4.120 1.348 0.000 0.276 98 V C 1.514 177.766 176.094 0.264 0.000 1.030 98 V CA 1.060 63.478 62.300 0.197 0.000 1.033 98 V CB 0.398 32.449 31.823 0.380 0.000 0.993 98 V HN 1.220 nan 8.190 nan 0.000 0.477 99 T N 1.465 116.108 114.554 0.148 0.000 2.985 99 T HA 0.397 5.556 4.350 1.348 0.000 0.254 99 T C 0.321 175.155 174.700 0.223 0.000 1.021 99 T CA -0.163 62.088 62.100 0.252 0.000 0.957 99 T CB 0.438 69.357 68.868 0.085 0.000 1.047 99 T HN 0.319 nan 8.240 nan 0.000 0.511 100 M N 2.684 122.335 119.600 0.085 0.000 2.433 100 M HA 0.437 5.726 4.480 1.348 0.000 0.290 100 M C -0.495 175.754 176.300 -0.085 0.000 1.173 100 M CA -0.467 54.824 55.300 -0.015 0.000 0.905 100 M CB 2.210 34.798 32.600 -0.020 0.000 1.692 100 M HN 0.311 nan 8.290 nan 0.000 0.462 101 T N -1.456 112.923 114.554 -0.292 0.000 2.912 101 T HA 0.494 5.653 4.350 1.348 0.000 0.280 101 T C 0.955 175.410 174.700 -0.409 0.000 0.989 101 T CA -0.705 61.092 62.100 -0.504 0.000 0.995 101 T CB 1.659 69.653 68.868 -1.457 0.000 1.077 101 T HN 0.674 nan 8.240 nan 0.000 0.531 102 K N -0.153 120.087 120.400 -0.267 0.000 2.152 102 K HA -0.066 5.063 4.320 1.348 0.000 0.206 102 K C 1.297 177.971 176.600 0.122 0.000 1.048 102 K CA 1.690 57.991 56.287 0.024 0.000 0.933 102 K CB -0.201 32.419 32.500 0.201 0.000 0.721 102 K HN 0.883 nan 8.250 nan 0.000 0.447 103 W N 0.702 122.068 121.300 0.109 0.000 3.391 103 W HA 0.305 5.770 4.660 1.341 0.000 0.372 103 W C -0.614 175.949 176.519 0.074 0.000 1.171 103 W CA -0.765 56.630 57.345 0.085 0.000 1.862 103 W CB 0.128 29.640 29.460 0.086 0.000 1.048 103 W HN -0.167 nan 8.180 nan 0.000 0.726 104 K N -0.352 119.984 120.400 -0.107 0.000 3.160 104 K HA -0.205 4.924 4.320 1.348 0.000 0.280 104 K C 0.151 176.680 176.600 -0.118 0.000 1.154 104 K CA 1.216 57.453 56.287 -0.084 0.000 0.822 104 K CB -2.108 30.410 32.500 0.030 0.000 1.239 104 K HN 0.462 nan 8.250 nan 0.000 0.489 105 A N 0.800 123.436 122.820 -0.308 0.000 2.310 105 A HA 0.626 5.755 4.320 1.348 0.000 0.299 105 A C -2.149 175.285 177.584 -0.250 0.000 1.147 105 A CA -1.373 50.560 52.037 -0.175 0.000 0.818 105 A CB 0.558 19.545 19.000 -0.021 0.000 1.096 105 A HN 0.026 nan 8.150 nan 0.000 0.495 106 P HA 0.324 nan 4.420 nan 0.000 0.281 106 P C -0.848 176.273 177.300 -0.300 0.000 1.249 106 P CA -0.203 62.599 63.100 -0.496 0.000 0.810 106 P CB 1.342 32.280 31.700 -1.271 0.000 1.008 107 V N 3.460 123.315 119.914 -0.098 0.000 2.334 107 V HA 0.110 5.039 4.120 1.348 0.000 0.281 107 V C 0.446 176.648 176.094 0.180 0.000 1.016 107 V CA -0.774 61.528 62.300 0.004 0.000 0.832 107 V CB 1.543 33.453 31.823 0.147 0.000 0.999 107 V HN 0.262 nan 8.190 nan 0.000 0.439 108 V N 5.218 125.142 119.914 0.016 0.000 2.415 108 V HA 0.224 5.153 4.120 1.348 0.000 0.267 108 V C -0.368 175.842 176.094 0.193 0.000 1.042 108 V CA -0.154 62.277 62.300 0.218 0.000 1.000 108 V CB -0.103 31.744 31.823 0.040 0.000 1.015 108 V HN 0.829 nan 8.190 nan 0.000 0.478 109 W N 2.102 123.622 121.300 0.366 0.000 2.706 109 W HA 0.556 6.114 4.660 1.496 0.000 0.346 109 W C 0.271 176.961 176.519 0.285 0.000 1.071 109 W CA -0.959 56.544 57.345 0.263 0.000 1.206 109 W CB 1.062 30.592 29.460 0.117 0.000 1.413 109 W HN 0.457 nan 8.180 nan 0.000 0.542 110 E N 0.839 121.303 120.200 0.441 0.000 2.465 110 E HA 0.321 5.480 4.350 1.348 0.000 0.260 110 E C 1.052 177.684 176.600 0.055 0.000 0.980 110 E CA 2.031 58.569 56.400 0.230 0.000 0.927 110 E CB 0.281 30.049 29.700 0.113 0.000 0.934 110 E HN 0.659 nan 8.360 nan 0.000 0.459 111 G N 2.918 111.594 108.800 -0.206 0.000 2.279 111 G HA2 -0.339 4.429 3.960 1.348 0.000 0.223 111 G HA3 -0.339 4.429 3.960 1.348 0.000 0.223 111 G C 1.057 175.840 174.900 -0.196 0.000 1.015 111 G CA 0.776 45.757 45.100 -0.199 0.000 0.621 111 G HN 0.844 nan 8.290 nan 0.000 0.506 112 T N -1.233 113.264 114.554 -0.094 0.000 3.067 112 T HA 0.413 5.571 4.350 1.348 0.000 0.257 112 T C 0.996 175.712 174.700 0.026 0.000 1.105 112 T CA 1.206 63.231 62.100 -0.124 0.000 1.104 112 T CB -0.162 68.652 68.868 -0.091 0.000 0.925 112 T HN 1.327 nan 8.240 nan 0.000 0.498 113 Y N 0.303 120.749 120.300 0.243 0.000 2.420 113 Y HA 0.725 6.084 4.550 1.349 0.000 0.334 113 Y C -0.285 175.786 175.900 0.284 0.000 1.094 113 Y CA -2.487 55.855 58.100 0.403 0.000 1.126 113 Y CB 0.754 39.536 38.460 0.536 0.000 1.217 113 Y HN -0.149 nan 8.280 nan 0.000 0.462 114 N N 3.508 122.529 118.700 0.535 0.000 2.816 114 N HA 0.160 5.709 4.740 1.348 0.000 0.236 114 N C 0.676 176.436 175.510 0.416 0.000 1.076 114 N CA -0.262 53.003 53.050 0.357 0.000 0.902 114 N CB 0.440 39.088 38.487 0.268 0.000 1.149 114 N HN 0.987 nan 8.380 nan 0.000 0.506 115 R N 2.206 122.983 120.500 0.462 0.000 2.120 115 R HA -0.080 5.069 4.340 1.348 0.000 0.234 115 R C 1.618 178.056 176.300 0.231 0.000 1.123 115 R CA 1.649 57.946 56.100 0.329 0.000 0.975 115 R CB 0.097 30.593 30.300 0.327 0.000 0.866 115 R HN 0.522 nan 8.270 nan 0.000 0.446 116 A N 0.155 123.097 122.820 0.204 0.000 1.908 116 A HA -0.124 5.005 4.320 1.348 0.000 0.218 116 A C 2.218 179.898 177.584 0.159 0.000 1.181 116 A CA 1.611 53.743 52.037 0.157 0.000 0.627 116 A CB -0.557 18.517 19.000 0.125 0.000 0.818 116 A HN 0.223 nan 8.150 nan 0.000 0.445 117 V N -0.006 120.010 119.914 0.172 0.000 2.407 117 V HA -0.235 4.694 4.120 1.348 0.000 0.248 117 V C 2.541 178.729 176.094 0.158 0.000 1.055 117 V CA 1.913 64.308 62.300 0.159 0.000 1.049 117 V CB -0.637 31.291 31.823 0.174 0.000 0.662 117 V HN 0.561 nan 8.190 nan 0.000 0.455 118 L N -0.682 120.642 121.223 0.168 0.000 2.072 118 L HA -0.113 5.036 4.340 1.348 0.000 0.205 118 L C 2.385 179.420 176.870 0.275 0.000 1.079 118 L CA 1.327 56.251 54.840 0.140 0.000 0.752 118 L CB -0.705 41.410 42.059 0.093 0.000 0.906 118 L HN 0.299 nan 8.230 nan 0.000 0.436 119 D N 0.116 120.682 120.400 0.277 0.000 2.123 119 D HA -0.217 5.232 4.640 1.348 0.000 0.196 119 D C 1.863 178.341 176.300 0.296 0.000 0.992 119 D CA 1.457 55.677 54.000 0.366 0.000 0.833 119 D CB -0.200 40.755 40.800 0.258 0.000 0.954 119 D HN 0.269 nan 8.370 nan 0.000 0.455 120 N N -0.461 118.357 118.700 0.198 0.000 2.084 120 N HA -0.227 5.322 4.740 1.348 0.000 0.190 120 N C 1.880 177.475 175.510 0.140 0.000 1.030 120 N CA 1.056 54.194 53.050 0.146 0.000 0.849 120 N CB -0.405 38.155 38.487 0.121 0.000 1.012 120 N HN 0.145 nan 8.380 nan 0.000 0.423 121 Y N -0.032 120.263 120.300 -0.010 0.000 2.097 121 Y HA -0.264 5.094 4.550 1.346 0.000 0.282 121 Y C 1.669 177.494 175.900 -0.124 0.000 1.152 121 Y CA 1.954 59.977 58.100 -0.130 0.000 1.136 121 Y CB -0.732 37.541 38.460 -0.312 0.000 0.975 121 Y HN 0.242 nan 8.280 nan 0.000 0.498 122 Y N -0.723 119.597 120.300 0.033 0.000 2.314 122 Y HA -0.097 5.263 4.550 1.350 0.000 0.293 122 Y C 2.622 178.536 175.900 0.023 0.000 1.129 122 Y CA 0.658 58.718 58.100 -0.066 0.000 1.201 122 Y CB -0.606 37.792 38.460 -0.104 0.000 0.999 122 Y HN 0.233 nan 8.280 nan 0.000 0.541 123 A N 0.668 123.670 122.820 0.303 0.000 1.908 123 A HA -0.226 4.903 4.320 1.348 0.000 0.218 123 A C 2.088 179.718 177.584 0.077 0.000 1.181 123 A CA 1.796 53.959 52.037 0.210 0.000 0.627 123 A CB -0.474 18.603 19.000 0.129 0.000 0.818 123 A HN 0.391 nan 8.150 nan 0.000 0.445 124 K N -0.501 119.906 120.400 0.011 0.000 2.147 124 K HA -0.138 4.991 4.320 1.348 0.000 0.205 124 K C 1.998 178.560 176.600 -0.062 0.000 1.049 124 K CA 1.425 57.690 56.287 -0.037 0.000 0.936 124 K CB -0.143 32.315 32.500 -0.070 0.000 0.722 124 K HN 0.609 nan 8.250 nan 0.000 0.446 125 Q N 0.647 120.389 119.800 -0.097 0.000 2.432 125 Q HA 0.019 5.168 4.340 1.348 0.000 0.205 125 Q C -0.498 175.510 176.000 0.013 0.000 0.945 125 Q CA 0.190 55.949 55.803 -0.073 0.000 0.924 125 Q CB 0.203 28.875 28.738 -0.109 0.000 1.016 125 Q HN 0.139 nan 8.270 nan 0.000 0.503 126 K N 1.386 121.815 120.400 0.049 0.000 3.653 126 K HA -0.179 4.950 4.320 1.348 0.000 0.275 126 K C -0.182 176.466 176.600 0.079 0.000 0.962 126 K CA 0.247 56.575 56.287 0.068 0.000 0.773 126 K CB -2.043 30.478 32.500 0.036 0.000 1.463 126 K HN 0.424 nan 8.250 nan 0.000 0.450 127 I N -2.709 117.930 120.570 0.115 0.000 2.834 127 I HA 0.433 5.412 4.170 1.348 0.000 0.305 127 I C 0.212 176.377 176.117 0.081 0.000 1.008 127 I CA -0.384 60.976 61.300 0.100 0.000 1.273 127 I CB 1.672 39.752 38.000 0.133 0.000 1.432 127 I HN -0.037 nan 8.210 nan 0.000 0.557 128 T N 3.624 118.220 114.554 0.070 0.000 2.861 128 T HA 0.561 5.720 4.350 1.348 0.000 0.287 128 T C -0.566 174.186 174.700 0.087 0.000 1.003 128 T CA -0.450 61.687 62.100 0.062 0.000 0.977 128 T CB 1.974 70.875 68.868 0.055 0.000 0.996 128 T HN 0.449 nan 8.240 nan 0.000 0.448 129 V N 2.156 122.118 119.914 0.079 0.000 2.495 129 V HA 0.793 5.722 4.120 1.348 0.000 0.298 129 V C 0.689 176.917 176.094 0.224 0.000 1.031 129 V CA -0.703 61.694 62.300 0.161 0.000 0.871 129 V CB 1.801 33.669 31.823 0.075 0.000 0.988 129 V HN 1.037 nan 8.190 nan 0.000 0.432 130 G N 2.947 111.934 108.800 0.312 0.000 2.434 130 G HA2 0.692 5.461 3.960 1.348 0.000 0.330 130 G HA3 0.692 5.461 3.960 1.348 0.000 0.330 130 G C -1.535 173.613 174.900 0.413 0.000 1.155 130 G CA -0.510 44.807 45.100 0.361 0.000 0.917 130 G HN 0.611 nan 8.290 nan 0.000 0.493 131 L N 1.105 122.536 121.223 0.346 0.000 2.528 131 L HA 0.552 5.701 4.340 1.348 0.000 0.267 131 L C 0.242 177.317 176.870 0.342 0.000 0.961 131 L CA -0.475 54.531 54.840 0.277 0.000 0.866 131 L CB 1.763 43.855 42.059 0.055 0.000 1.248 131 L HN 0.755 nan 8.230 nan 0.000 0.404 132 T N 1.741 116.448 114.554 0.256 0.000 2.907 132 T HA 0.796 5.955 4.350 1.348 0.000 0.284 132 T C -0.577 174.169 174.700 0.077 0.000 1.004 132 T CA -0.730 61.480 62.100 0.182 0.000 1.063 132 T CB 1.782 70.708 68.868 0.097 0.000 0.992 132 T HN 0.727 nan 8.240 nan 0.000 0.483 133 V N 3.084 122.987 119.914 -0.017 0.000 2.891 133 V HA 0.649 5.577 4.120 1.348 0.000 0.304 133 V C -2.023 173.999 176.094 -0.119 0.000 1.171 133 V CA -1.069 61.168 62.300 -0.104 0.000 0.943 133 V CB 1.668 33.265 31.823 -0.375 0.000 1.037 133 V HN 0.907 nan 8.190 nan 0.000 0.427 134 F N 4.525 124.368 119.950 -0.178 0.000 2.450 134 F HA 0.894 6.228 4.527 1.344 0.000 0.332 134 F C 0.512 176.243 175.800 -0.115 0.000 1.093 134 F CA -0.227 57.700 58.000 -0.121 0.000 1.003 134 F CB 2.264 41.191 39.000 -0.121 0.000 1.151 134 F HN 0.706 nan 8.300 nan 0.000 0.474 135 A N 2.829 125.707 122.820 0.096 0.000 2.499 135 A HA 0.723 5.852 4.320 1.348 0.000 0.280 135 A C -1.779 175.860 177.584 0.093 0.000 1.135 135 A CA -0.550 51.547 52.037 0.100 0.000 0.744 135 A CB 0.723 19.777 19.000 0.091 0.000 1.213 135 A HN 0.498 nan 8.150 nan 0.000 0.434 136 V N 2.476 122.430 119.914 0.066 0.000 2.540 136 V HA 0.820 5.749 4.120 1.348 0.000 0.302 136 V C 1.016 177.173 176.094 0.105 0.000 1.035 136 V CA 0.723 63.060 62.300 0.062 0.000 0.873 136 V CB 0.875 32.712 31.823 0.023 0.000 0.992 136 V HN 2.263 nan 8.190 nan 0.000 0.428 137 G N 5.080 113.944 108.800 0.107 0.000 2.528 137 G HA2 -0.232 4.536 3.960 1.348 0.000 0.262 137 G HA3 -0.232 4.536 3.960 1.348 0.000 0.262 137 G C 0.794 175.779 174.900 0.142 0.000 1.200 137 G CA 0.424 45.597 45.100 0.122 0.000 0.951 137 G HN 0.610 nan 8.290 nan 0.000 0.566 138 R N -0.597 119.978 120.500 0.125 0.000 2.200 138 R HA -0.063 5.086 4.340 1.348 0.000 0.234 138 R C 2.334 178.639 176.300 0.009 0.000 1.127 138 R CA 1.903 58.018 56.100 0.025 0.000 0.989 138 R CB -0.460 29.755 30.300 -0.142 0.000 0.869 138 R HN 0.654 nan 8.270 nan 0.000 0.459 139 Y N 0.698 120.982 120.300 -0.027 0.000 2.384 139 Y HA -0.192 5.165 4.550 1.344 0.000 0.289 139 Y C 2.266 178.210 175.900 0.073 0.000 1.152 139 Y CA 0.749 58.891 58.100 0.071 0.000 1.258 139 Y CB -0.264 38.297 38.460 0.168 0.000 0.979 139 Y HN 0.020 nan 8.280 nan 0.000 0.549 140 I N -0.255 120.429 120.570 0.191 0.000 2.133 140 I HA -0.259 4.720 4.170 1.348 0.000 0.238 140 I C 2.003 178.160 176.117 0.066 0.000 1.074 140 I CA 1.422 62.791 61.300 0.116 0.000 1.342 140 I CB -0.306 37.743 38.000 0.081 0.000 1.053 140 I HN 0.103 nan 8.210 nan 0.000 0.404 141 E N -0.028 120.202 120.200 0.051 0.000 2.106 141 E HA -0.180 4.978 4.350 1.348 0.000 0.192 141 E C 2.135 178.699 176.600 -0.059 0.000 0.984 141 E CA 1.083 57.489 56.400 0.011 0.000 0.806 141 E CB -0.279 29.439 29.700 0.030 0.000 0.750 141 E HN 0.515 nan 8.360 nan 0.000 0.458 142 H N -1.869 117.018 119.070 -0.305 0.000 2.363 142 H HA -0.031 5.333 4.556 1.346 0.000 0.301 142 H C 0.948 175.915 175.328 -0.600 0.000 1.074 142 H CA 1.439 57.114 56.048 -0.621 0.000 1.354 142 H CB 0.287 29.346 29.762 -1.173 0.000 1.397 142 H HN 0.313 nan 8.280 nan 0.000 0.516 143 Y N -1.678 118.703 120.300 0.136 0.000 2.441 143 Y HA 0.013 5.376 4.550 1.356 0.000 0.266 143 Y C 1.978 177.948 175.900 0.118 0.000 1.093 143 Y CA -0.378 57.790 58.100 0.114 0.000 1.246 143 Y CB 0.294 38.823 38.460 0.115 0.000 1.262 143 Y HN -0.037 nan 8.280 nan 0.000 0.518 144 L N 1.437 122.787 121.223 0.212 0.000 2.046 144 L HA -0.179 4.969 4.340 1.348 0.000 0.208 144 L C 2.237 179.178 176.870 0.118 0.000 1.077 144 L CA 2.010 56.937 54.840 0.144 0.000 0.747 144 L CB -0.489 41.609 42.059 0.065 0.000 0.896 144 L HN 0.285 nan 8.230 nan 0.000 0.432 145 E N -0.716 119.524 120.200 0.067 0.000 2.051 145 E HA -0.248 4.911 4.350 1.348 0.000 0.192 145 E C 2.028 178.655 176.600 0.046 0.000 0.991 145 E CA 1.474 57.886 56.400 0.021 0.000 0.799 145 E CB -0.069 29.630 29.700 -0.000 0.000 0.748 145 E HN 0.614 nan 8.360 nan 0.000 0.449 146 E N -0.330 119.930 120.200 0.101 0.000 2.110 146 E HA -0.194 4.965 4.350 1.348 0.000 0.193 146 E C 1.858 178.537 176.600 0.132 0.000 0.988 146 E CA 0.995 57.464 56.400 0.115 0.000 0.804 146 E CB -0.201 29.596 29.700 0.160 0.000 0.745 146 E HN 0.276 nan 8.360 nan 0.000 0.458 147 F N 1.442 121.422 119.950 0.051 0.000 2.051 147 F HA -0.191 5.138 4.527 1.338 0.000 0.296 147 F C 1.982 177.754 175.800 -0.046 0.000 1.122 147 F CA 1.391 59.416 58.000 0.042 0.000 1.201 147 F CB -0.188 38.821 39.000 0.015 0.000 0.978 147 F HN -0.099 nan 8.300 nan 0.000 0.472 148 L N -0.544 120.656 121.223 -0.038 0.000 2.046 148 L HA -0.235 4.913 4.340 1.348 0.000 0.208 148 L C 2.348 179.001 176.870 -0.362 0.000 1.077 148 L CA 1.791 56.421 54.840 -0.350 0.000 0.747 148 L CB -1.254 40.632 42.059 -0.288 0.000 0.896 148 L HN 0.167 nan 8.230 nan 0.000 0.432 149 T N -1.058 113.384 114.554 -0.186 0.000 2.788 149 T HA -0.152 5.007 4.350 1.348 0.000 0.268 149 T C 2.149 176.759 174.700 -0.150 0.000 1.044 149 T CA 1.684 63.701 62.100 -0.137 0.000 1.139 149 T CB -0.060 68.771 68.868 -0.062 0.000 0.867 149 T HN 0.267 nan 8.240 nan 0.000 0.454 150 S N 1.038 116.667 115.700 -0.119 0.000 2.387 150 S HA 0.114 5.393 4.470 1.348 0.000 0.226 150 S C 2.546 176.999 174.600 -0.246 0.000 1.026 150 S CA 0.728 58.914 58.200 -0.023 0.000 0.972 150 S CB -0.366 62.947 63.200 0.189 0.000 0.814 150 S HN 0.565 nan 8.310 nan 0.000 0.477 151 A N 2.324 124.799 122.820 -0.575 0.000 1.898 151 A HA -0.144 4.985 4.320 1.348 0.000 0.216 151 A C 1.878 179.211 177.584 -0.418 0.000 1.181 151 A CA 1.875 53.275 52.037 -1.062 0.000 0.620 151 A CB -0.909 17.375 19.000 -1.194 0.000 0.819 151 A HN 0.545 nan 8.150 nan 0.000 0.442 152 N N -0.114 118.420 118.700 -0.277 0.000 2.149 152 N HA -0.206 5.343 4.740 1.348 0.000 0.188 152 N C 1.670 177.136 175.510 -0.073 0.000 1.019 152 N CA 2.090 55.141 53.050 0.003 0.000 0.857 152 N CB -0.245 38.223 38.487 -0.031 0.000 0.997 152 N HN 0.569 nan 8.380 nan 0.000 0.426 153 K N -1.621 118.647 120.400 -0.221 0.000 2.186 153 K HA -0.055 5.074 4.320 1.348 0.000 0.202 153 K C 0.903 177.242 176.600 -0.435 0.000 1.052 153 K CA 0.958 57.032 56.287 -0.355 0.000 0.965 153 K CB 0.055 32.243 32.500 -0.520 0.000 0.746 153 K HN 0.391 nan 8.250 nan 0.000 0.457 154 H N -1.829 117.175 119.070 -0.108 0.000 3.058 154 H HA 0.059 5.430 4.556 1.359 0.000 0.258 154 H C -0.557 174.748 175.328 -0.039 0.000 1.015 154 H CA -0.305 55.715 56.048 -0.047 0.000 1.210 154 H CB 0.232 30.023 29.762 0.048 0.000 1.481 154 H HN 0.034 nan 8.280 nan 0.000 0.492 155 F N 3.734 123.507 119.950 -0.295 0.000 2.438 155 F HA 0.187 5.507 4.527 1.322 0.000 0.360 155 F C 0.643 176.420 175.800 -0.039 0.000 1.118 155 F CA -0.603 57.252 58.000 -0.242 0.000 1.164 155 F CB 0.283 38.986 39.000 -0.494 0.000 1.131 155 F HN -0.014 nan 8.300 nan 0.000 0.527 156 M N 4.981 124.334 119.600 -0.412 0.000 2.302 156 M HA -0.189 5.100 4.480 1.348 0.000 0.200 156 M C -0.468 175.802 176.300 -0.050 0.000 0.366 156 M CA 0.300 55.409 55.300 -0.319 0.000 0.440 156 M CB -2.888 29.353 32.600 -0.597 0.000 1.475 156 M HN 0.162 nan 8.290 nan 0.000 0.905 157 V N 0.421 120.334 119.914 -0.001 0.000 2.694 157 V HA 0.335 5.263 4.120 1.348 0.000 0.306 157 V C 1.735 177.814 176.094 -0.025 0.000 1.054 157 V CA 1.760 64.061 62.300 0.002 0.000 1.161 157 V CB 0.881 32.714 31.823 0.017 0.000 0.916 157 V HN 1.021 nan 8.190 nan 0.000 0.490 158 G N 3.330 112.071 108.800 -0.099 0.000 2.175 158 G HA2 -0.169 4.600 3.960 1.348 0.000 0.244 158 G HA3 -0.169 4.600 3.960 1.348 0.000 0.244 158 G C 0.029 174.633 174.900 -0.494 0.000 0.982 158 G CA 0.037 44.981 45.100 -0.259 0.000 0.641 158 G HN 0.786 nan 8.290 nan 0.000 0.527 159 H N -0.104 118.935 119.070 -0.053 0.000 2.768 159 H HA 0.403 5.768 4.556 1.348 0.000 0.371 159 H C -2.738 172.548 175.328 -0.069 0.000 1.151 159 H CA -1.779 54.236 56.048 -0.056 0.000 1.165 159 H CB 2.120 31.831 29.762 -0.084 0.000 1.722 159 H HN 0.009 nan 8.280 nan 0.000 0.543 160 P HA 0.037 nan 4.420 nan 0.000 0.267 160 P C -0.563 176.719 177.300 -0.029 0.000 1.205 160 P CA 0.084 63.184 63.100 0.000 0.000 0.765 160 P CB 0.662 32.369 31.700 0.012 0.000 0.828 161 V N 5.361 125.209 119.914 -0.111 0.000 2.876 161 V HA 0.475 5.403 4.120 1.348 0.000 0.312 161 V C -0.037 175.833 176.094 -0.373 0.000 1.085 161 V CA -0.569 61.610 62.300 -0.202 0.000 0.945 161 V CB 2.217 33.888 31.823 -0.253 0.000 1.017 161 V HN 0.354 nan 8.190 nan 0.000 0.428 162 I N 3.754 124.080 120.570 -0.406 0.000 2.447 162 I HA 0.457 5.436 4.170 1.348 0.000 0.287 162 I C -1.137 174.586 176.117 -0.657 0.000 1.023 162 I CA -0.217 60.775 61.300 -0.515 0.000 1.083 162 I CB 1.716 39.443 38.000 -0.456 0.000 1.245 162 I HN 0.430 nan 8.210 nan 0.000 0.434 163 F N 5.403 125.221 119.950 -0.219 0.000 2.411 163 F HA 0.376 5.707 4.527 1.341 0.000 0.350 163 F C -0.352 175.335 175.800 -0.187 0.000 1.114 163 F CA -0.597 57.311 58.000 -0.153 0.000 1.135 163 F CB 0.716 39.704 39.000 -0.021 0.000 1.120 163 F HN 0.305 nan 8.300 nan 0.000 0.495 164 Y N 4.408 124.886 120.300 0.297 0.000 2.417 164 Y HA 0.477 5.834 4.550 1.345 0.000 0.336 164 Y C -0.120 175.836 175.900 0.093 0.000 0.961 164 Y CA -0.717 57.520 58.100 0.227 0.000 1.215 164 Y CB 0.654 39.229 38.460 0.193 0.000 1.120 164 Y HN 0.377 nan 8.280 nan 0.000 0.499 165 I N 4.806 125.499 120.570 0.205 0.000 2.312 165 I HA 0.291 5.269 4.170 1.348 0.000 0.290 165 I C -0.588 175.513 176.117 -0.028 0.000 1.008 165 I CA -0.532 60.784 61.300 0.026 0.000 1.226 165 I CB 0.925 38.920 38.000 -0.008 0.000 1.371 165 I HN 0.480 nan 8.210 nan 0.000 0.468 166 M N 8.069 127.519 119.600 -0.249 0.000 2.101 166 M HA 0.474 5.763 4.480 1.348 0.000 0.340 166 M C -0.544 175.663 176.300 -0.153 0.000 1.057 166 M CA -0.558 54.550 55.300 -0.319 0.000 0.984 166 M CB 1.458 33.466 32.600 -0.986 0.000 1.560 166 M HN 0.395 nan 8.290 nan 0.000 0.435 167 V N 0.339 120.236 119.914 -0.029 0.000 3.078 167 V HA 0.676 5.605 4.120 1.348 0.000 0.311 167 V C 0.125 176.248 176.094 0.047 0.000 1.138 167 V CA -0.789 61.523 62.300 0.021 0.000 1.007 167 V CB 2.151 33.986 31.823 0.020 0.000 1.045 167 V HN 0.849 nan 8.190 nan 0.000 0.432 168 D N -0.050 120.384 120.400 0.056 0.000 2.333 168 D HA 0.030 5.479 4.640 1.348 0.000 0.208 168 D C 0.043 176.373 176.300 0.049 0.000 0.984 168 D CA 0.622 54.656 54.000 0.057 0.000 0.873 168 D CB 0.499 41.333 40.800 0.057 0.000 0.935 168 D HN 0.658 nan 8.370 nan 0.000 0.521 169 D N 0.835 121.262 120.400 0.044 0.000 2.402 169 D HA 0.049 5.498 4.640 1.348 0.000 0.252 169 D C 1.423 177.743 176.300 0.032 0.000 1.294 169 D CA -0.574 53.449 54.000 0.038 0.000 0.948 169 D CB 2.004 42.826 40.800 0.036 0.000 1.202 169 D HN -0.126 nan 8.370 nan 0.000 0.561 170 V N 1.992 121.925 119.914 0.032 0.000 2.720 170 V HA -0.122 4.807 4.120 1.348 0.000 0.256 170 V C 1.805 177.912 176.094 0.022 0.000 1.082 170 V CA 1.923 64.239 62.300 0.027 0.000 1.101 170 V CB -0.911 30.928 31.823 0.027 0.000 0.693 170 V HN 0.489 nan 8.190 nan 0.000 0.479 171 S N 0.466 116.179 115.700 0.022 0.000 2.515 171 S HA 0.002 5.280 4.470 1.348 0.000 0.231 171 S C 1.818 176.427 174.600 0.016 0.000 0.987 171 S CA 0.755 58.966 58.200 0.018 0.000 0.936 171 S CB -0.529 62.682 63.200 0.018 0.000 0.766 171 S HN 0.716 nan 8.310 nan 0.000 0.528 172 R N -0.045 120.465 120.500 0.017 0.000 2.393 172 R HA 0.357 5.506 4.340 1.348 0.000 0.244 172 R C 0.017 176.321 176.300 0.007 0.000 0.920 172 R CA -0.223 55.886 56.100 0.015 0.000 1.076 172 R CB -0.003 30.311 30.300 0.023 0.000 1.119 172 R HN 0.432 nan 8.270 nan 0.000 0.524 173 M N 3.510 123.111 119.600 0.002 0.000 2.251 173 M HA 0.145 5.433 4.480 1.348 0.000 0.346 173 M C -2.234 174.046 176.300 -0.034 0.000 1.499 173 M CA -2.026 53.263 55.300 -0.019 0.000 1.128 173 M CB 0.556 33.149 32.600 -0.012 0.000 1.809 173 M HN -0.219 nan 8.290 nan 0.000 0.464 174 P HA 0.106 nan 4.420 nan 0.000 0.277 174 P C -1.048 176.192 177.300 -0.100 0.000 1.354 174 P CA 0.073 63.139 63.100 -0.057 0.000 0.891 174 P CB 0.035 31.706 31.700 -0.049 0.000 1.058 175 L N 5.695 126.883 121.223 -0.058 0.000 2.384 175 L HA 0.186 5.335 4.340 1.348 0.000 0.258 175 L C 1.368 178.221 176.870 -0.029 0.000 1.266 175 L CA -0.634 54.179 54.840 -0.045 0.000 1.162 175 L CB -0.733 41.361 42.059 0.060 0.000 1.375 175 L HN 0.370 nan 8.230 nan 0.000 0.420 176 I N -1.935 118.585 120.570 -0.083 0.000 3.004 176 I HA 0.211 5.190 4.170 1.348 0.000 0.287 176 I C 0.457 176.576 176.117 0.003 0.000 1.144 176 I CA -0.482 60.790 61.300 -0.048 0.000 1.353 176 I CB 0.662 38.613 38.000 -0.082 0.000 1.417 176 I HN 0.409 nan 8.210 nan 0.000 0.602 177 E N 3.495 123.703 120.200 0.013 0.000 2.289 177 E HA 0.398 5.557 4.350 1.348 0.000 0.278 177 E C -1.234 175.394 176.600 0.047 0.000 1.032 177 E CA -0.606 55.819 56.400 0.041 0.000 0.854 177 E CB 1.015 30.730 29.700 0.024 0.000 1.046 177 E HN 0.550 nan 8.360 nan 0.000 0.409 178 L N 3.203 124.481 121.223 0.092 0.000 2.344 178 L HA 0.536 5.685 4.340 1.348 0.000 0.272 178 L C 0.838 177.750 176.870 0.070 0.000 1.035 178 L CA -0.781 54.126 54.840 0.111 0.000 0.807 178 L CB 1.643 43.825 42.059 0.205 0.000 1.237 178 L HN 0.676 nan 8.230 nan 0.000 0.442 179 G N 0.945 109.779 108.800 0.058 0.000 2.532 179 G HA2 0.506 5.275 3.960 1.348 0.000 0.291 179 G HA3 0.506 5.275 3.960 1.348 0.000 0.291 179 G C -2.665 172.248 174.900 0.021 0.000 1.349 179 G CA -1.305 43.811 45.100 0.026 0.000 1.038 179 G HN 0.340 nan 8.290 nan 0.000 0.518 180 P HA 0.156 nan 4.420 nan 0.000 0.264 180 P C 0.556 177.848 177.300 -0.014 0.000 1.183 180 P CA 0.340 63.435 63.100 -0.008 0.000 0.763 180 P CB 0.384 32.075 31.700 -0.015 0.000 0.807 181 L N -1.312 119.898 121.223 -0.021 0.000 4.937 181 L HA -0.279 4.870 4.340 1.348 0.000 0.422 181 L C 0.316 177.155 176.870 -0.053 0.000 1.059 181 L CA 0.768 55.588 54.840 -0.034 0.000 1.111 181 L CB -1.130 40.906 42.059 -0.038 0.000 2.033 181 L HN 0.487 nan 8.230 nan 0.000 0.708 182 R N 0.296 120.777 120.500 -0.032 0.000 2.589 182 R HA 0.782 5.931 4.340 1.348 0.000 0.293 182 R C 0.006 176.301 176.300 -0.010 0.000 0.963 182 R CA 0.386 56.453 56.100 -0.055 0.000 0.905 182 R CB 2.029 32.384 30.300 0.091 0.000 1.144 182 R HN 0.256 nan 8.270 nan 0.000 0.459 183 S N 1.148 116.817 115.700 -0.051 0.000 2.643 183 S HA 0.813 6.092 4.470 1.348 0.000 0.270 183 S C -1.225 173.426 174.600 0.086 0.000 1.166 183 S CA -0.959 57.242 58.200 0.002 0.000 0.815 183 S CB 1.258 64.400 63.200 -0.097 0.000 1.139 183 S HN 0.536 nan 8.310 nan 0.000 0.472 184 F N -1.227 118.696 119.950 -0.045 0.000 2.779 184 F HA 0.900 6.236 4.527 1.348 0.000 0.316 184 F C -1.765 173.993 175.800 -0.070 0.000 1.164 184 F CA -0.991 56.985 58.000 -0.040 0.000 0.924 184 F CB 1.197 40.259 39.000 0.104 0.000 1.348 184 F HN 0.984 nan 8.300 nan 0.000 0.467 185 K N 1.005 121.505 120.400 0.166 0.000 2.543 185 K HA 0.756 5.885 4.320 1.348 0.000 0.255 185 K C -2.474 174.130 176.600 0.007 0.000 0.934 185 K CA -0.908 55.344 56.287 -0.060 0.000 0.810 185 K CB 2.409 34.814 32.500 -0.159 0.000 1.315 185 K HN 0.651 nan 8.250 nan 0.000 0.433 186 V N 3.102 122.927 119.914 -0.149 0.000 2.581 186 V HA 0.574 5.503 4.120 1.348 0.000 0.303 186 V C -1.038 174.801 176.094 -0.426 0.000 1.041 186 V CA -0.610 61.608 62.300 -0.137 0.000 0.907 186 V CB 0.848 32.695 31.823 0.041 0.000 0.994 186 V HN 0.678 nan 8.190 nan 0.000 0.442 187 F N 2.306 122.276 119.950 0.034 0.000 2.540 187 F HA 0.514 5.849 4.527 1.346 0.000 0.317 187 F C 0.143 175.945 175.800 0.004 0.000 1.104 187 F CA -0.757 57.262 58.000 0.031 0.000 0.913 187 F CB 1.961 40.991 39.000 0.050 0.000 1.170 187 F HN 0.305 nan 8.300 nan 0.000 0.450 188 K N 5.329 125.860 120.400 0.218 0.000 2.258 188 K HA 0.619 5.748 4.320 1.348 0.000 0.284 188 K C -0.843 175.836 176.600 0.131 0.000 1.051 188 K CA -0.308 56.057 56.287 0.129 0.000 0.923 188 K CB 0.638 33.195 32.500 0.094 0.000 1.046 188 K HN 0.763 nan 8.250 nan 0.000 0.474 189 I N -0.069 120.559 120.570 0.097 0.000 2.957 189 I HA 0.467 5.445 4.170 1.348 0.000 0.310 189 I C -0.754 175.409 176.117 0.076 0.000 1.063 189 I CA -1.290 60.066 61.300 0.093 0.000 1.033 189 I CB 1.722 39.786 38.000 0.107 0.000 1.230 189 I HN 0.472 nan 8.210 nan 0.000 0.447 190 K N 3.754 124.194 120.400 0.066 0.000 2.322 190 K HA 0.404 5.533 4.320 1.348 0.000 0.283 190 K C -2.391 174.239 176.600 0.050 0.000 1.042 190 K CA -1.441 54.876 56.287 0.050 0.000 0.958 190 K CB 0.705 33.227 32.500 0.036 0.000 0.984 190 K HN 0.488 nan 8.250 nan 0.000 0.473 191 P HA 0.142 nan 4.420 nan 0.000 0.293 191 P C -1.034 176.280 177.300 0.025 0.000 1.313 191 P CA -0.380 62.743 63.100 0.039 0.000 0.787 191 P CB 1.112 32.837 31.700 0.042 0.000 0.910 192 E N 2.908 123.115 120.200 0.013 0.000 2.390 192 E HA 0.047 5.206 4.350 1.348 0.000 0.261 192 E C 0.936 177.534 176.600 -0.003 0.000 1.076 192 E CA -0.259 56.139 56.400 -0.004 0.000 0.905 192 E CB 0.896 30.581 29.700 -0.025 0.000 0.984 192 E HN 0.282 nan 8.360 nan 0.000 0.427 193 K N 1.173 121.566 120.400 -0.011 0.000 2.097 193 K HA -0.067 5.061 4.320 1.348 0.000 0.205 193 K C 0.584 177.175 176.600 -0.015 0.000 1.050 193 K CA 1.186 57.469 56.287 -0.006 0.000 0.938 193 K CB 0.090 32.582 32.500 -0.013 0.000 0.718 193 K HN 0.264 nan 8.250 nan 0.000 0.442 194 R N 0.610 121.067 120.500 -0.071 0.000 2.346 194 R HA 0.100 5.249 4.340 1.348 0.000 0.311 194 R C 0.899 177.093 176.300 -0.176 0.000 0.983 194 R CA -0.440 55.565 56.100 -0.158 0.000 0.880 194 R CB 0.626 30.766 30.300 -0.267 0.000 1.100 194 R HN 0.323 nan 8.270 nan 0.000 0.453 195 W N 3.134 124.369 121.300 -0.107 0.000 2.364 195 W HA -0.208 5.259 4.660 1.346 0.000 0.281 195 W C 0.342 176.731 176.519 -0.217 0.000 1.219 195 W CA 0.710 57.965 57.345 -0.150 0.000 1.220 195 W CB -0.315 29.066 29.460 -0.131 0.000 1.127 195 W HN 0.570 nan 8.180 nan 0.000 0.556 196 Q N 1.071 120.249 119.800 -1.036 0.000 2.167 196 Q HA -0.145 5.004 4.340 1.348 0.000 0.202 196 Q C 1.808 177.538 176.000 -0.450 0.000 0.970 196 Q CA 2.160 57.322 55.803 -1.068 0.000 0.855 196 Q CB -0.455 27.512 28.738 -1.285 0.000 0.911 196 Q HN 0.214 nan 8.270 nan 0.000 0.438 197 D N -0.274 119.939 120.400 -0.313 0.000 2.194 197 D HA -0.011 5.438 4.640 1.348 0.000 0.204 197 D C 1.747 177.980 176.300 -0.113 0.000 0.964 197 D CA 0.565 54.472 54.000 -0.155 0.000 0.846 197 D CB 0.142 40.874 40.800 -0.114 0.000 0.962 197 D HN 0.263 nan 8.370 nan 0.000 0.490 198 I N 0.559 121.062 120.570 -0.112 0.000 2.179 198 I HA -0.263 4.716 4.170 1.348 0.000 0.242 198 I C 2.562 178.581 176.117 -0.163 0.000 1.088 198 I CA 0.842 62.081 61.300 -0.100 0.000 1.357 198 I CB -0.196 37.761 38.000 -0.071 0.000 1.051 198 I HN -0.061 nan 8.210 nan 0.000 0.409 199 S N 0.629 116.248 115.700 -0.135 0.000 2.355 199 S HA -0.160 5.118 4.470 1.348 0.000 0.222 199 S C 2.129 176.646 174.600 -0.139 0.000 1.031 199 S CA 1.346 59.464 58.200 -0.136 0.000 0.993 199 S CB -0.101 63.085 63.200 -0.022 0.000 0.859 199 S HN 0.267 nan 8.310 nan 0.000 0.453 200 M N -0.090 119.461 119.600 -0.083 0.000 2.200 200 M HA -0.014 5.275 4.480 1.348 0.000 0.265 200 M C 2.246 178.537 176.300 -0.016 0.000 1.066 200 M CA 1.190 56.482 55.300 -0.013 0.000 1.127 200 M CB -0.369 32.251 32.600 0.034 0.000 1.379 200 M HN 0.357 nan 8.290 nan 0.000 0.420 201 M N 0.465 120.027 119.600 -0.063 0.000 2.446 201 M HA -0.121 5.168 4.480 1.348 0.000 0.263 201 M C 1.851 177.968 176.300 -0.306 0.000 1.066 201 M CA 1.643 56.862 55.300 -0.134 0.000 1.087 201 M CB -0.406 32.139 32.600 -0.091 0.000 1.406 201 M HN 0.061 nan 8.290 nan 0.000 0.459 202 R N -1.079 119.172 120.500 -0.415 0.000 2.117 202 R HA -0.180 4.969 4.340 1.348 0.000 0.243 202 R C 1.981 178.090 176.300 -0.318 0.000 1.143 202 R CA 1.679 57.369 56.100 -0.683 0.000 0.968 202 R CB -0.477 29.235 30.300 -0.979 0.000 0.863 202 R HN 0.383 nan 8.270 nan 0.000 0.444 203 M N 0.800 120.260 119.600 -0.234 0.000 2.108 203 M HA -0.198 5.090 4.480 1.348 0.000 0.261 203 M C 2.180 178.300 176.300 -0.300 0.000 1.066 203 M CA 1.646 56.847 55.300 -0.166 0.000 1.107 203 M CB -0.801 31.761 32.600 -0.064 0.000 1.356 203 M HN 0.105 nan 8.290 nan 0.000 0.406 204 K N -0.167 119.833 120.400 -0.667 0.000 2.001 204 K HA -0.121 5.007 4.320 1.348 0.000 0.208 204 K C 1.872 178.264 176.600 -0.346 0.000 1.048 204 K CA 1.916 57.711 56.287 -0.819 0.000 0.932 204 K CB -0.072 31.546 32.500 -1.469 0.000 0.715 204 K HN 0.223 nan 8.250 nan 0.000 0.437 205 T N 1.853 116.284 114.554 -0.206 0.000 2.720 205 T HA -0.141 5.017 4.350 1.348 0.000 0.268 205 T C 1.896 176.669 174.700 0.122 0.000 1.037 205 T CA 1.660 63.783 62.100 0.038 0.000 1.144 205 T CB -0.196 68.811 68.868 0.233 0.000 0.864 205 T HN 0.208 nan 8.240 nan 0.000 0.444 206 I N 1.117 121.742 120.570 0.092 0.000 2.179 206 I HA -0.116 4.863 4.170 1.348 0.000 0.242 206 I C 2.934 179.030 176.117 -0.035 0.000 1.088 206 I CA 1.343 62.674 61.300 0.052 0.000 1.357 206 I CB -0.791 37.254 38.000 0.076 0.000 1.051 206 I HN 0.319 nan 8.210 nan 0.000 0.409 207 G N 0.391 109.149 108.800 -0.070 0.000 2.440 207 G HA2 -0.252 4.517 3.960 1.348 0.000 0.218 207 G HA3 -0.252 4.517 3.960 1.348 0.000 0.218 207 G C 1.498 176.328 174.900 -0.118 0.000 1.154 207 G CA 0.788 45.828 45.100 -0.100 0.000 0.767 207 G HN 0.435 nan 8.290 nan 0.000 0.552 208 E N -0.217 119.913 120.200 -0.117 0.000 2.077 208 E HA -0.145 5.013 4.350 1.348 0.000 0.193 208 E C 2.263 178.720 176.600 -0.239 0.000 0.989 208 E CA 1.135 57.436 56.400 -0.164 0.000 0.800 208 E CB -0.218 29.374 29.700 -0.179 0.000 0.746 208 E HN 0.595 nan 8.360 nan 0.000 0.452 209 H N 0.208 119.120 119.070 -0.263 0.000 2.423 209 H HA -0.014 5.351 4.556 1.350 0.000 0.297 209 H C 1.985 176.967 175.328 -0.577 0.000 1.075 209 H CA 1.071 56.875 56.048 -0.407 0.000 1.342 209 H CB 0.019 29.498 29.762 -0.471 0.000 1.395 209 H HN 0.108 nan 8.280 nan 0.000 0.530 210 I N -0.530 119.856 120.570 -0.307 0.000 2.179 210 I HA -0.250 4.729 4.170 1.348 0.000 0.242 210 I C 1.964 177.901 176.117 -0.300 0.000 1.088 210 I CA 0.918 62.021 61.300 -0.329 0.000 1.357 210 I CB -0.162 37.707 38.000 -0.217 0.000 1.051 210 I HN 0.111 nan 8.210 nan 0.000 0.409 211 V N 0.944 120.727 119.914 -0.220 0.000 2.358 211 V HA -0.267 4.662 4.120 1.348 0.000 0.246 211 V C 2.674 178.694 176.094 -0.124 0.000 1.047 211 V CA 1.964 64.163 62.300 -0.168 0.000 1.035 211 V CB -1.019 30.734 31.823 -0.116 0.000 0.658 211 V HN 0.487 nan 8.190 nan 0.000 0.452 212 A N -0.152 122.594 122.820 -0.123 0.000 1.930 212 A HA -0.196 4.933 4.320 1.348 0.000 0.217 212 A C 2.029 179.700 177.584 0.145 0.000 1.175 212 A CA 2.152 54.185 52.037 -0.008 0.000 0.627 212 A CB -0.356 18.615 19.000 -0.048 0.000 0.815 212 A HN 0.879 nan 8.150 nan 0.000 0.443 213 H N -4.268 114.785 119.070 -0.028 0.000 2.950 213 H HA 0.195 5.560 4.556 1.348 0.000 0.202 213 H C 1.669 177.001 175.328 0.006 0.000 0.893 213 H CA 0.471 56.562 56.048 0.073 0.000 0.931 213 H CB -0.676 29.153 29.762 0.111 0.000 1.158 213 H HN 0.323 nan 8.280 nan 0.000 0.545 214 I N 2.758 122.922 120.570 -0.678 0.000 2.264 214 I HA -0.307 4.672 4.170 1.348 0.000 0.248 214 I C 2.807 178.794 176.117 -0.216 0.000 1.111 214 I CA 2.285 63.334 61.300 -0.418 0.000 1.382 214 I CB -0.338 37.291 38.000 -0.618 0.000 1.060 214 I HN 0.373 nan 8.210 nan 0.000 0.418 215 Q N 0.215 119.821 119.800 -0.323 0.000 2.364 215 Q HA -0.203 4.946 4.340 1.348 0.000 0.209 215 Q C 1.498 177.307 176.000 -0.319 0.000 0.977 215 Q CA 1.450 57.046 55.803 -0.345 0.000 0.885 215 Q CB -0.285 28.179 28.738 -0.457 0.000 0.941 215 Q HN 0.589 nan 8.270 nan 0.000 0.464 216 H N -0.068 118.993 119.070 -0.015 0.000 2.622 216 H HA 0.211 5.576 4.556 1.349 0.000 0.269 216 H C 0.678 176.034 175.328 0.046 0.000 0.977 216 H CA 0.669 56.727 56.048 0.016 0.000 1.179 216 H CB 0.669 30.450 29.762 0.033 0.000 1.458 216 H HN 0.553 nan 8.280 nan 0.000 0.531 217 E N 0.674 120.970 120.200 0.159 0.000 2.372 217 E HA 0.099 5.258 4.350 1.348 0.000 0.201 217 E C 0.564 177.245 176.600 0.135 0.000 0.938 217 E CA 0.144 56.651 56.400 0.179 0.000 0.944 217 E CB 1.286 31.165 29.700 0.298 0.000 0.937 217 E HN 0.118 nan 8.360 nan 0.000 0.495 218 V N -2.016 117.954 119.914 0.094 0.000 3.102 218 V HA 0.338 5.266 4.120 1.348 0.000 0.312 218 V C -0.224 175.850 176.094 -0.033 0.000 1.135 218 V CA -0.858 61.483 62.300 0.069 0.000 1.022 218 V CB 2.246 34.154 31.823 0.141 0.000 1.056 218 V HN -0.165 nan 8.190 nan 0.000 0.436 219 D N 0.432 120.792 120.400 -0.066 0.000 2.277 219 D HA 0.231 5.680 4.640 1.348 0.000 0.209 219 D C -0.259 175.645 176.300 -0.659 0.000 0.970 219 D CA 1.573 55.386 54.000 -0.311 0.000 0.874 219 D CB 0.505 41.174 40.800 -0.218 0.000 0.982 219 D HN 0.508 nan 8.370 nan 0.000 0.504 220 F N -0.161 119.763 119.950 -0.042 0.000 2.613 220 F HA 0.484 5.825 4.527 1.358 0.000 0.314 220 F C -0.634 175.154 175.800 -0.020 0.000 1.075 220 F CA -1.162 56.794 58.000 -0.075 0.000 0.945 220 F CB 2.106 41.028 39.000 -0.130 0.000 1.310 220 F HN -0.339 nan 8.300 nan 0.000 0.467 221 L N 1.544 122.832 121.223 0.109 0.000 2.445 221 L HA 0.704 5.853 4.340 1.348 0.000 0.262 221 L C -2.108 174.724 176.870 -0.063 0.000 0.974 221 L CA -0.445 54.456 54.840 0.102 0.000 0.822 221 L CB 1.769 43.853 42.059 0.041 0.000 1.339 221 L HN 0.467 nan 8.230 nan 0.000 0.409 222 F N 2.796 122.841 119.950 0.157 0.000 2.532 222 F HA 0.629 5.984 4.527 1.380 0.000 0.321 222 F C -0.435 175.302 175.800 -0.105 0.000 1.089 222 F CA -0.352 57.678 58.000 0.051 0.000 0.926 222 F CB 1.932 41.041 39.000 0.181 0.000 1.168 222 F HN 0.421 nan 8.300 nan 0.000 0.459 223 C N 4.939 124.125 119.300 -0.190 0.000 2.319 223 C HA 0.774 6.043 4.460 1.348 0.000 0.323 223 C C -0.206 174.591 174.990 -0.323 0.000 1.277 223 C CA -1.015 57.779 59.018 -0.373 0.000 1.517 223 C CB -0.104 27.107 27.740 -0.882 0.000 2.206 223 C HN 0.710 nan 8.230 nan 0.000 0.486 224 M N 1.669 121.186 119.600 -0.138 0.000 2.572 224 M HA 0.377 5.665 4.480 1.348 0.000 0.299 224 M C -0.978 175.200 176.300 -0.203 0.000 1.205 224 M CA -0.459 54.760 55.300 -0.135 0.000 0.876 224 M CB 1.775 34.352 32.600 -0.039 0.000 1.728 224 M HN 0.521 nan 8.290 nan 0.000 0.458 225 D N 0.767 121.040 120.400 -0.213 0.000 2.368 225 D HA 0.073 5.521 4.640 1.348 0.000 0.240 225 D C 0.427 176.499 176.300 -0.380 0.000 1.169 225 D CA 0.013 53.875 54.000 -0.231 0.000 0.906 225 D CB 1.544 42.210 40.800 -0.223 0.000 1.187 225 D HN 0.329 nan 8.370 nan 0.000 0.435 226 V N 1.111 120.829 119.914 -0.326 0.000 3.354 226 V HA -0.061 4.868 4.120 1.348 0.000 0.258 226 V C 0.381 176.370 176.094 -0.175 0.000 1.159 226 V CA 0.595 62.640 62.300 -0.425 0.000 1.125 226 V CB -0.174 31.547 31.823 -0.170 0.000 0.774 226 V HN 0.548 nan 8.190 nan 0.000 0.464 227 D N 1.884 122.123 120.400 -0.268 0.000 3.032 227 D HA 0.085 5.534 4.640 1.348 0.000 0.241 227 D C 0.203 176.320 176.300 -0.305 0.000 1.196 227 D CA -0.105 53.520 54.000 -0.624 0.000 0.927 227 D CB -0.237 40.099 40.800 -0.773 0.000 1.129 227 D HN 0.772 nan 8.370 nan 0.000 0.458 228 Q N -1.810 117.953 119.800 -0.063 0.000 2.630 228 Q HA 0.644 5.793 4.340 1.348 0.000 0.295 228 Q C -1.687 174.395 176.000 0.137 0.000 0.944 228 Q CA -1.223 54.603 55.803 0.040 0.000 0.766 228 Q CB 1.709 30.433 28.738 -0.023 0.000 1.471 228 Q HN -0.047 nan 8.270 nan 0.000 0.416 229 V N 1.059 121.018 119.914 0.075 0.000 2.686 229 V HA 0.460 5.388 4.120 1.348 0.000 0.306 229 V C -1.051 175.054 176.094 0.018 0.000 1.065 229 V CA -0.728 61.621 62.300 0.081 0.000 0.894 229 V CB 1.595 33.511 31.823 0.155 0.000 1.004 229 V HN 0.685 nan 8.190 nan 0.000 0.424 230 F N 2.995 122.936 119.950 -0.016 0.000 2.495 230 F HA 0.296 5.638 4.527 1.358 0.000 0.365 230 F C 1.477 177.287 175.800 0.018 0.000 1.090 230 F CA 0.281 58.290 58.000 0.016 0.000 1.235 230 F CB 0.937 39.962 39.000 0.041 0.000 1.119 230 F HN 0.492 nan 8.300 nan 0.000 0.562 231 Q N 0.794 120.624 119.800 0.050 0.000 2.353 231 Q HA 0.173 5.322 4.340 1.348 0.000 0.240 231 Q C -0.145 175.594 176.000 -0.436 0.000 0.868 231 Q CA 0.470 56.229 55.803 -0.073 0.000 0.944 231 Q CB 0.958 29.736 28.738 0.067 0.000 1.104 231 Q HN 0.660 nan 8.270 nan 0.000 0.531 232 D N -0.305 119.754 120.400 -0.569 0.000 2.768 232 D HA 0.170 5.618 4.640 1.348 0.000 0.327 232 D C -0.982 175.208 176.300 -0.182 0.000 1.302 232 D CA -0.523 53.173 54.000 -0.506 0.000 0.897 232 D CB 1.426 42.136 40.800 -0.150 0.000 1.420 232 D HN -0.252 nan 8.370 nan 0.000 0.494 233 K N 0.811 121.250 120.400 0.064 0.000 2.473 233 K HA 0.015 5.143 4.320 1.348 0.000 0.277 233 K C -0.301 176.417 176.600 0.197 0.000 1.052 233 K CA 0.691 57.089 56.287 0.186 0.000 1.114 233 K CB 0.217 32.809 32.500 0.154 0.000 0.869 233 K HN 0.214 nan 8.250 nan 0.000 0.481 234 F N 3.117 123.149 119.950 0.137 0.000 2.564 234 F HA 0.310 5.692 4.527 1.425 0.000 0.361 234 F C 0.423 176.221 175.800 -0.003 0.000 1.161 234 F CA -0.531 57.584 58.000 0.192 0.000 1.198 234 F CB 0.577 39.846 39.000 0.447 0.000 1.424 234 F HN 0.585 nan 8.300 nan 0.000 0.517 235 G N 1.328 110.143 108.800 0.025 0.000 2.702 235 G HA2 0.311 5.080 3.960 1.348 0.000 0.254 235 G HA3 0.311 5.080 3.960 1.348 0.000 0.254 235 G C 0.896 175.657 174.900 -0.231 0.000 1.380 235 G CA -0.102 44.941 45.100 -0.095 0.000 1.042 235 G HN 0.537 nan 8.290 nan 0.000 0.557 236 V N -0.668 119.086 119.914 -0.266 0.000 2.982 236 V HA -0.117 4.812 4.120 1.348 0.000 0.265 236 V C 2.228 178.067 176.094 -0.425 0.000 1.122 236 V CA 2.375 64.424 62.300 -0.419 0.000 1.143 236 V CB -0.767 30.831 31.823 -0.374 0.000 0.726 236 V HN 0.739 nan 8.190 nan 0.000 0.507 237 E N 2.639 122.601 120.200 -0.398 0.000 2.409 237 E HA -0.197 4.962 4.350 1.348 0.000 0.198 237 E C 1.813 178.099 176.600 -0.523 0.000 1.024 237 E CA 1.655 57.750 56.400 -0.508 0.000 0.861 237 E CB -0.849 28.554 29.700 -0.495 0.000 0.788 237 E HN 0.830 nan 8.360 nan 0.000 0.521 238 T N -1.232 113.055 114.554 -0.445 0.000 3.081 238 T HA 0.248 5.407 4.350 1.348 0.000 0.250 238 T C 1.101 175.727 174.700 -0.123 0.000 1.100 238 T CA -0.368 61.538 62.100 -0.324 0.000 1.038 238 T CB -0.243 68.416 68.868 -0.348 0.000 0.962 238 T HN 0.008 nan 8.240 nan 0.000 0.516 239 L N 1.540 122.542 121.223 -0.368 0.000 2.417 239 L HA 0.661 5.810 4.340 1.348 0.000 0.268 239 L C 0.931 177.515 176.870 -0.476 0.000 1.158 239 L CA -0.088 54.381 54.840 -0.618 0.000 0.819 239 L CB 0.653 41.921 42.059 -1.318 0.000 1.112 239 L HN 0.471 nan 8.230 nan 0.000 0.458 240 G N 0.826 109.440 108.800 -0.310 0.000 2.356 240 G HA2 0.137 4.906 3.960 1.348 0.000 0.294 240 G HA3 0.137 4.906 3.960 1.348 0.000 0.294 240 G C -0.118 174.915 174.900 0.222 0.000 1.423 240 G CA -0.467 44.644 45.100 0.017 0.000 0.806 240 G HN 0.419 nan 8.290 nan 0.000 0.527 241 E N -0.299 120.024 120.200 0.206 0.000 2.049 241 E HA -0.069 5.090 4.350 1.348 0.000 0.198 241 E C 1.376 178.052 176.600 0.128 0.000 1.007 241 E CA 1.987 58.488 56.400 0.167 0.000 0.809 241 E CB -0.216 29.563 29.700 0.131 0.000 0.749 241 E HN 0.732 nan 8.360 nan 0.000 0.450 242 S N -0.424 115.344 115.700 0.113 0.000 2.677 242 S HA 0.541 5.820 4.470 1.348 0.000 0.283 242 S C -0.567 174.066 174.600 0.054 0.000 1.159 242 S CA -0.982 57.298 58.200 0.133 0.000 1.001 242 S CB 2.080 65.415 63.200 0.225 0.000 1.032 242 S HN -0.098 nan 8.310 nan 0.000 0.487 243 V N 1.992 121.937 119.914 0.051 0.000 2.495 243 V HA 0.908 5.836 4.120 1.348 0.000 0.298 243 V C 0.293 176.398 176.094 0.018 0.000 1.031 243 V CA -0.503 61.796 62.300 -0.001 0.000 0.871 243 V CB 1.256 33.100 31.823 0.035 0.000 0.988 243 V HN 1.237 nan 8.190 nan 0.000 0.432 244 A N 3.523 126.215 122.820 -0.214 0.000 2.354 244 A HA 0.897 6.026 4.320 1.348 0.000 0.321 244 A C -0.783 176.827 177.584 0.043 0.000 1.125 244 A CA -0.709 51.175 52.037 -0.255 0.000 0.799 244 A CB 1.890 20.178 19.000 -1.188 0.000 1.293 244 A HN 0.763 nan 8.150 nan 0.000 0.452 245 Q N 0.806 120.748 119.800 0.236 0.000 2.316 245 Q HA 0.604 5.752 4.340 1.348 0.000 0.264 245 Q C -1.619 174.591 176.000 0.349 0.000 0.987 245 Q CA -0.193 55.773 55.803 0.271 0.000 0.852 245 Q CB 1.122 30.056 28.738 0.326 0.000 1.287 245 Q HN 0.632 nan 8.270 nan 0.000 0.448 246 L N 3.747 125.103 121.223 0.221 0.000 2.313 246 L HA 0.254 5.403 4.340 1.348 0.000 0.282 246 L C 0.487 177.547 176.870 0.317 0.000 1.092 246 L CA -0.398 54.574 54.840 0.219 0.000 0.831 246 L CB 0.990 43.102 42.059 0.089 0.000 1.159 246 L HN 0.598 nan 8.230 nan 0.000 0.442 247 Q N 2.131 122.160 119.800 0.382 0.000 2.289 247 Q HA 0.035 5.183 4.340 1.348 0.000 0.273 247 Q C 0.879 177.138 176.000 0.432 0.000 1.029 247 Q CA 0.274 56.332 55.803 0.424 0.000 0.896 247 Q CB 1.632 30.666 28.738 0.493 0.000 1.182 247 Q HN 0.841 nan 8.270 nan 0.000 0.385 248 A N 4.358 127.389 122.820 0.351 0.000 1.958 248 A HA -0.205 4.924 4.320 1.348 0.000 0.221 248 A C 1.261 178.853 177.584 0.014 0.000 1.178 248 A CA 1.512 53.616 52.037 0.111 0.000 0.642 248 A CB -0.582 18.137 19.000 -0.469 0.000 0.816 248 A HN 0.904 nan 8.150 nan 0.000 0.453 249 W N -2.690 118.551 121.300 -0.099 0.000 2.770 249 W HA 0.146 5.615 4.660 1.348 0.000 0.256 249 W C 1.037 177.251 176.519 -0.508 0.000 1.291 249 W CA 0.074 57.186 57.345 -0.388 0.000 1.396 249 W CB -0.231 28.849 29.460 -0.635 0.000 1.114 249 W HN 0.510 nan 8.180 nan 0.000 0.637 250 W N -1.281 120.194 121.300 0.291 0.000 2.684 250 W HA 0.177 5.640 4.660 1.337 0.000 0.381 250 W C 1.598 178.299 176.519 0.305 0.000 0.975 250 W CA -0.782 56.698 57.345 0.226 0.000 1.789 250 W CB -1.165 28.322 29.460 0.045 0.000 1.161 250 W HN 0.001 nan 8.180 nan 0.000 0.564 251 Y N 0.473 121.007 120.300 0.391 0.000 2.403 251 Y HA 0.019 5.406 4.550 1.394 0.000 0.291 251 Y C 1.449 177.602 175.900 0.422 0.000 1.143 251 Y CA 1.354 59.701 58.100 0.411 0.000 1.257 251 Y CB -0.388 38.288 38.460 0.361 0.000 0.984 251 Y HN -0.128 nan 8.280 nan 0.000 0.550 252 K N 0.731 121.012 120.400 -0.198 0.000 2.358 252 K HA 0.445 5.573 4.320 1.348 0.000 0.200 252 K C 0.470 177.104 176.600 0.057 0.000 1.030 252 K CA 0.214 56.409 56.287 -0.154 0.000 1.097 252 K CB 0.588 32.846 32.500 -0.405 0.000 0.862 252 K HN 0.289 nan 8.250 nan 0.000 0.534 253 A N 1.690 124.656 122.820 0.243 0.000 2.304 253 A HA 0.075 5.204 4.320 1.348 0.000 0.271 253 A C -0.306 177.348 177.584 0.116 0.000 1.091 253 A CA -0.449 51.752 52.037 0.272 0.000 0.812 253 A CB 0.342 19.685 19.000 0.571 0.000 1.056 253 A HN 0.185 nan 8.150 nan 0.000 0.489 254 D N 1.788 122.155 120.400 -0.055 0.000 2.390 254 D HA 0.107 5.556 4.640 1.348 0.000 0.249 254 D C -1.340 174.532 176.300 -0.713 0.000 1.144 254 D CA -1.357 52.498 54.000 -0.241 0.000 0.880 254 D CB 1.121 41.839 40.800 -0.137 0.000 1.182 254 D HN 0.224 nan 8.370 nan 0.000 0.451 255 P HA -0.166 nan 4.420 nan 0.000 0.218 255 P C 0.614 177.387 177.300 -0.878 0.000 1.146 255 P CA 0.914 62.995 63.100 -1.698 0.000 0.813 255 P CB 0.283 31.614 31.700 -0.615 0.000 0.778 256 N N -0.079 118.396 118.700 -0.375 0.000 2.521 256 N HA -0.053 5.496 4.740 1.348 0.000 0.188 256 N C 0.648 176.167 175.510 0.015 0.000 1.146 256 N CA 0.739 53.773 53.050 -0.025 0.000 0.893 256 N CB -0.139 38.382 38.487 0.056 0.000 0.975 256 N HN 0.267 nan 8.380 nan 0.000 0.451 257 D N -0.639 119.657 120.400 -0.173 0.000 2.441 257 D HA 0.102 5.551 4.640 1.348 0.000 0.210 257 D C 0.401 176.601 176.300 -0.166 0.000 1.102 257 D CA -0.158 53.829 54.000 -0.023 0.000 0.840 257 D CB 0.382 41.252 40.800 0.116 0.000 0.990 257 D HN 0.143 nan 8.370 nan 0.000 0.505 258 F N 1.856 121.528 119.950 -0.463 0.000 2.553 258 F HA -0.026 5.316 4.527 1.357 0.000 0.356 258 F C 1.818 177.066 175.800 -0.920 0.000 1.142 258 F CA 0.003 57.411 58.000 -0.987 0.000 1.322 258 F CB 0.669 38.990 39.000 -1.133 0.000 1.126 258 F HN -0.193 nan 8.300 nan 0.000 0.599 259 T N 0.360 114.292 114.554 -1.037 0.000 3.467 259 T HA 0.208 5.367 4.350 1.348 0.000 0.232 259 T C -0.221 174.490 174.700 0.018 0.000 0.876 259 T CA -0.358 61.455 62.100 -0.478 0.000 0.939 259 T CB -1.209 67.333 68.868 -0.543 0.000 1.165 259 T HN 0.351 nan 8.240 nan 0.000 0.615 260 Y N 0.788 121.129 120.300 0.068 0.000 2.296 260 Y HA 0.289 5.646 4.550 1.344 0.000 0.343 260 Y C 1.119 177.050 175.900 0.052 0.000 1.292 260 Y CA -1.360 56.815 58.100 0.126 0.000 1.490 260 Y CB 0.519 38.984 38.460 0.009 0.000 1.359 260 Y HN 0.250 nan 8.280 nan 0.000 0.599 261 E N 1.322 121.638 120.200 0.193 0.000 2.257 261 E HA 0.066 5.225 4.350 1.348 0.000 0.278 261 E C -0.136 176.507 176.600 0.071 0.000 1.049 261 E CA -0.155 56.295 56.400 0.083 0.000 0.876 261 E CB 0.559 30.257 29.700 -0.004 0.000 1.035 261 E HN 0.383 nan 8.360 nan 0.000 0.419 262 R N 3.875 124.427 120.500 0.086 0.000 2.397 262 R HA 0.204 5.353 4.340 1.348 0.000 0.241 262 R C -0.098 176.393 176.300 0.319 0.000 0.914 262 R CA -0.064 56.108 56.100 0.120 0.000 1.071 262 R CB 0.096 30.384 30.300 -0.021 0.000 1.116 262 R HN 0.394 nan 8.270 nan 0.000 0.524 263 R N 1.782 122.398 120.500 0.192 0.000 2.221 263 R HA 0.100 5.249 4.340 1.348 0.000 0.327 263 R C 1.246 177.418 176.300 -0.213 0.000 1.033 263 R CA -0.111 55.991 56.100 0.003 0.000 0.887 263 R CB 0.954 31.240 30.300 -0.023 0.000 1.057 263 R HN 0.099 nan 8.270 nan 0.000 0.455 264 K N 1.560 121.548 120.400 -0.686 0.000 2.360 264 K HA -0.154 4.974 4.320 1.348 0.000 0.201 264 K C 0.401 176.762 176.600 -0.398 0.000 1.046 264 K CA 1.331 56.989 56.287 -1.049 0.000 0.945 264 K CB 0.207 32.139 32.500 -0.948 0.000 0.750 264 K HN 0.395 nan 8.250 nan 0.000 0.464 265 E N 1.325 121.386 120.200 -0.232 0.000 2.338 265 E HA -0.016 5.143 4.350 1.348 0.000 0.197 265 E C 0.437 176.989 176.600 -0.079 0.000 1.007 265 E CA 0.459 56.782 56.400 -0.129 0.000 0.849 265 E CB 0.200 29.842 29.700 -0.096 0.000 0.774 265 E HN 0.279 nan 8.360 nan 0.000 0.506 266 S N -0.713 114.951 115.700 -0.059 0.000 2.554 266 S HA 0.481 5.760 4.470 1.348 0.000 0.278 266 S C 1.070 175.686 174.600 0.026 0.000 1.242 266 S CA -0.096 58.097 58.200 -0.012 0.000 1.051 266 S CB 1.341 64.526 63.200 -0.024 0.000 0.986 266 S HN 0.174 nan 8.310 nan 0.000 0.502 267 A N 3.668 126.520 122.820 0.053 0.000 2.121 267 A HA 0.232 5.361 4.320 1.348 0.000 0.218 267 A C 1.861 179.480 177.584 0.058 0.000 1.154 267 A CA 1.348 53.430 52.037 0.075 0.000 0.679 267 A CB -0.734 18.331 19.000 0.109 0.000 0.795 267 A HN 1.132 nan 8.150 nan 0.000 0.458 268 A N -1.747 121.044 122.820 -0.049 0.000 2.307 268 A HA 0.322 5.451 4.320 1.348 0.000 0.218 268 A C 0.579 178.110 177.584 -0.089 0.000 1.228 268 A CA -0.474 51.459 52.037 -0.174 0.000 0.857 268 A CB -0.568 18.096 19.000 -0.559 0.000 0.897 268 A HN 0.498 nan 8.150 nan 0.000 0.495 269 Y N 0.821 121.042 120.300 -0.132 0.000 2.810 269 Y HA 0.266 5.626 4.550 1.350 0.000 0.332 269 Y C -0.289 175.524 175.900 -0.146 0.000 1.243 269 Y CA 0.144 58.172 58.100 -0.120 0.000 1.537 269 Y CB -0.009 38.399 38.460 -0.086 0.000 1.265 269 Y HN 0.222 nan 8.280 nan 0.000 0.572 270 I N 9.724 129.811 120.570 -0.805 0.000 2.468 270 I HA 0.263 5.242 4.170 1.348 0.000 0.284 270 I C -2.338 173.194 176.117 -0.974 0.000 1.038 270 I CA -2.183 58.641 61.300 -0.792 0.000 1.083 270 I CB 1.975 39.555 38.000 -0.700 0.000 1.223 270 I HN 0.512 nan 8.210 nan 0.000 0.443 271 P HA 0.123 nan 4.420 nan 0.000 0.272 271 P C -0.519 176.614 177.300 -0.279 0.000 1.230 271 P CA -0.077 62.673 63.100 -0.584 0.000 0.788 271 P CB 0.581 32.152 31.700 -0.216 0.000 0.949 272 F N 0.281 120.221 119.950 -0.018 0.000 2.563 272 F HA 0.303 5.639 4.527 1.348 0.000 0.363 272 F C 2.025 177.825 175.800 -0.001 0.000 1.123 272 F CA 1.967 59.972 58.000 0.009 0.000 1.307 272 F CB -0.226 38.786 39.000 0.020 0.000 1.115 272 F HN 0.698 nan 8.300 nan 0.000 0.592 273 G N 1.190 110.095 108.800 0.176 0.000 2.176 273 G HA2 -0.201 4.568 3.960 1.348 0.000 0.232 273 G HA3 -0.201 4.568 3.960 1.348 0.000 0.232 273 G C -0.201 174.731 174.900 0.053 0.000 0.986 273 G CA -0.284 44.872 45.100 0.093 0.000 0.643 273 G HN 0.582 nan 8.290 nan 0.000 0.522 274 E N -0.645 119.581 120.200 0.044 0.000 2.336 274 E HA 0.617 5.776 4.350 1.348 0.000 0.267 274 E C 0.129 176.799 176.600 0.115 0.000 0.906 274 E CA -0.388 56.029 56.400 0.029 0.000 0.781 274 E CB 2.301 31.970 29.700 -0.053 0.000 1.261 274 E HN 1.529 nan 8.360 nan 0.000 0.436 275 G N 1.510 110.389 108.800 0.130 0.000 2.841 275 G HA2 -0.095 4.674 3.960 1.348 0.000 0.684 275 G HA3 -0.095 4.674 3.960 1.348 0.000 0.684 275 G C -0.584 174.472 174.900 0.261 0.000 1.273 275 G CA -0.621 44.661 45.100 0.304 0.000 0.811 275 G HN 0.537 nan 8.290 nan 0.000 0.631 276 D N 0.016 120.598 120.400 0.304 0.000 2.566 276 D HA 0.292 5.741 4.640 1.348 0.000 0.253 276 D C 0.612 176.775 176.300 -0.229 0.000 0.992 276 D CA 1.267 55.322 54.000 0.091 0.000 0.940 276 D CB 0.417 41.498 40.800 0.470 0.000 1.095 276 D HN 0.321 nan 8.370 nan 0.000 0.480 277 F N -1.139 118.991 119.950 0.301 0.000 2.685 277 F HA 0.332 5.684 4.527 1.374 0.000 0.315 277 F C -1.066 174.403 175.800 -0.550 0.000 1.126 277 F CA -1.319 56.670 58.000 -0.017 0.000 0.950 277 F CB 1.579 40.405 39.000 -0.290 0.000 1.360 277 F HN -0.296 nan 8.300 nan 0.000 0.469 278 Y N 1.779 121.559 120.300 -0.866 0.000 2.417 278 Y HA 0.504 5.860 4.550 1.343 0.000 0.336 278 Y C -1.240 174.466 175.900 -0.323 0.000 0.961 278 Y CA -0.980 56.630 58.100 -0.817 0.000 1.215 278 Y CB 0.315 37.987 38.460 -1.315 0.000 1.120 278 Y HN 0.411 nan 8.280 nan 0.000 0.499 279 Y N 4.314 124.463 120.300 -0.251 0.000 2.299 279 Y HA 0.191 5.540 4.550 1.331 0.000 0.326 279 Y C 0.393 176.283 175.900 -0.018 0.000 1.164 279 Y CA -0.424 57.673 58.100 -0.005 0.000 1.234 279 Y CB 0.585 39.149 38.460 0.173 0.000 1.219 279 Y HN 0.572 nan 8.280 nan 0.000 0.497 280 H N 1.555 120.779 119.070 0.257 0.000 2.580 280 H HA 0.371 5.724 4.556 1.329 0.000 0.322 280 H C 0.259 175.720 175.328 0.222 0.000 1.082 280 H CA -0.247 55.935 56.048 0.223 0.000 1.383 280 H CB 1.317 31.240 29.762 0.269 0.000 1.450 280 H HN 0.968 nan 8.280 nan 0.000 0.505 281 A N 4.105 127.111 122.820 0.310 0.000 2.206 281 A HA 0.051 5.180 4.320 1.348 0.000 0.211 281 A C 2.107 179.739 177.584 0.080 0.000 1.158 281 A CA 0.813 52.968 52.037 0.198 0.000 0.761 281 A CB -0.343 18.758 19.000 0.169 0.000 0.801 281 A HN 0.802 nan 8.150 nan 0.000 0.473 282 A N -0.401 122.205 122.820 -0.356 0.000 2.067 282 A HA 0.312 5.441 4.320 1.348 0.000 0.219 282 A C 0.763 178.242 177.584 -0.175 0.000 1.158 282 A CA 0.784 52.550 52.037 -0.451 0.000 0.661 282 A CB -0.223 18.162 19.000 -1.025 0.000 0.801 282 A HN 0.453 nan 8.150 nan 0.000 0.452 283 I N -0.677 119.901 120.570 0.014 0.000 2.610 283 I HA 0.498 5.476 4.170 1.348 0.000 0.289 283 I C -1.246 175.114 176.117 0.406 0.000 1.163 283 I CA -0.705 60.690 61.300 0.158 0.000 1.044 283 I CB 2.193 40.306 38.000 0.187 0.000 1.251 283 I HN 0.296 nan 8.210 nan 0.000 0.424 284 F N 3.619 123.752 119.950 0.305 0.000 2.703 284 F HA 0.959 6.290 4.527 1.340 0.000 0.308 284 F C -0.338 175.581 175.800 0.200 0.000 1.126 284 F CA -0.537 57.634 58.000 0.285 0.000 0.959 284 F CB 1.468 40.599 39.000 0.218 0.000 1.297 284 F HN 0.573 nan 8.300 nan 0.000 0.441 285 G N -0.373 108.521 108.800 0.156 0.000 2.494 285 G HA2 0.820 5.589 3.960 1.348 0.000 0.308 285 G HA3 0.820 5.589 3.960 1.348 0.000 0.308 285 G C -0.740 174.064 174.900 -0.161 0.000 1.263 285 G CA -0.159 44.766 45.100 -0.291 0.000 0.840 285 G HN 2.178 nan 8.290 nan 0.000 0.479 286 G N -1.795 106.863 108.800 -0.237 0.000 2.339 286 G HA2 0.569 5.337 3.960 1.348 0.000 0.275 286 G HA3 0.569 5.337 3.960 1.348 0.000 0.275 286 G C 0.032 174.961 174.900 0.049 0.000 1.323 286 G CA 0.859 45.955 45.100 -0.006 0.000 0.927 286 G HN 1.974 nan 8.290 nan 0.000 0.486 287 T N -0.649 113.918 114.554 0.021 0.000 2.860 287 T HA 0.515 5.674 4.350 1.348 0.000 0.299 287 T C -1.339 173.298 174.700 -0.105 0.000 1.045 287 T CA -0.325 61.683 62.100 -0.153 0.000 1.071 287 T CB 1.655 70.406 68.868 -0.194 0.000 0.985 287 T HN 0.207 nan 8.240 nan 0.000 0.537 288 P HA -0.069 nan 4.420 nan 0.000 0.216 288 P C 1.672 178.910 177.300 -0.104 0.000 1.150 288 P CA 1.115 64.140 63.100 -0.124 0.000 0.837 288 P CB -0.217 31.387 31.700 -0.159 0.000 0.786 289 T N -0.593 113.903 114.554 -0.098 0.000 2.684 289 T HA -0.175 4.983 4.350 1.348 0.000 0.267 289 T C 1.809 176.488 174.700 -0.036 0.000 1.036 289 T CA 1.233 63.292 62.100 -0.068 0.000 1.148 289 T CB -0.624 68.210 68.868 -0.056 0.000 0.863 289 T HN 0.147 nan 8.240 nan 0.000 0.436 290 Q N 0.470 120.261 119.800 -0.016 0.000 2.079 290 Q HA 0.018 5.167 4.340 1.348 0.000 0.200 290 Q C 2.679 178.677 176.000 -0.004 0.000 0.974 290 Q CA 0.860 56.678 55.803 0.025 0.000 0.840 290 Q CB -0.888 27.890 28.738 0.066 0.000 0.898 290 Q HN 0.398 nan 8.270 nan 0.000 0.430 291 V N 1.469 121.376 119.914 -0.010 0.000 2.490 291 V HA -0.228 4.701 4.120 1.348 0.000 0.250 291 V C 2.335 178.398 176.094 -0.052 0.000 1.061 291 V CA 1.285 63.586 62.300 0.001 0.000 1.064 291 V CB -0.658 31.178 31.823 0.021 0.000 0.670 291 V HN 0.220 nan 8.190 nan 0.000 0.461 292 L N 0.940 122.124 121.223 -0.065 0.000 2.046 292 L HA -0.166 4.983 4.340 1.348 0.000 0.208 292 L C 2.084 178.903 176.870 -0.085 0.000 1.077 292 L CA 2.315 57.108 54.840 -0.079 0.000 0.747 292 L CB -1.014 40.997 42.059 -0.080 0.000 0.896 292 L HN 0.379 nan 8.230 nan 0.000 0.432 293 N N -0.515 118.144 118.700 -0.068 0.000 2.142 293 N HA -0.143 5.406 4.740 1.348 0.000 0.186 293 N C 1.824 177.211 175.510 -0.205 0.000 1.023 293 N CA 1.674 54.701 53.050 -0.039 0.000 0.852 293 N CB -0.210 38.319 38.487 0.070 0.000 0.998 293 N HN 0.463 nan 8.380 nan 0.000 0.424 294 I N -0.037 120.261 120.570 -0.453 0.000 2.127 294 I HA -0.321 4.657 4.170 1.348 0.000 0.241 294 I C 2.299 178.016 176.117 -0.667 0.000 1.075 294 I CA 1.758 62.416 61.300 -1.071 0.000 1.334 294 I CB -0.801 36.682 38.000 -0.861 0.000 1.040 294 I HN 0.386 nan 8.210 nan 0.000 0.405 295 T N -1.638 112.710 114.554 -0.343 0.000 2.777 295 T HA -0.213 4.946 4.350 1.348 0.000 0.266 295 T C 1.814 176.437 174.700 -0.128 0.000 1.040 295 T CA 1.137 63.115 62.100 -0.204 0.000 1.141 295 T CB -0.465 68.353 68.868 -0.083 0.000 0.868 295 T HN 0.379 nan 8.240 nan 0.000 0.444 296 Q N 0.365 120.104 119.800 -0.102 0.000 2.050 296 Q HA -0.101 5.048 4.340 1.348 0.000 0.202 296 Q C 2.663 178.659 176.000 -0.006 0.000 0.980 296 Q CA 1.429 57.216 55.803 -0.026 0.000 0.840 296 Q CB -0.064 28.660 28.738 -0.023 0.000 0.898 296 Q HN 0.536 nan 8.270 nan 0.000 0.424 297 E N -0.033 120.146 120.200 -0.034 0.000 2.072 297 E HA -0.150 5.008 4.350 1.348 0.000 0.191 297 E C 2.103 178.687 176.600 -0.027 0.000 0.985 297 E CA 0.751 57.164 56.400 0.023 0.000 0.801 297 E CB -0.330 29.491 29.700 0.202 0.000 0.750 297 E HN 0.374 nan 8.360 nan 0.000 0.452 298 C N 0.459 119.691 119.300 -0.113 0.000 2.425 298 C HA -0.104 5.165 4.460 1.348 0.000 0.277 298 C C 2.476 177.363 174.990 -0.172 0.000 1.280 298 C CA 0.241 59.175 59.018 -0.140 0.000 1.744 298 C CB -1.182 26.430 27.740 -0.212 0.000 1.989 298 C HN 0.315 nan 8.230 nan 0.000 0.491 299 F N 1.854 121.665 119.950 -0.232 0.000 2.259 299 F HA -0.043 5.292 4.527 1.347 0.000 0.298 299 F C 2.211 177.892 175.800 -0.199 0.000 1.088 299 F CA 1.424 59.293 58.000 -0.218 0.000 1.358 299 F CB -0.407 38.500 39.000 -0.154 0.000 1.040 299 F HN 0.160 nan 8.300 nan 0.000 0.505 300 K N -0.444 119.864 120.400 -0.154 0.000 2.097 300 K HA -0.093 5.036 4.320 1.348 0.000 0.206 300 K C 2.374 178.827 176.600 -0.244 0.000 1.049 300 K CA 1.184 57.359 56.287 -0.188 0.000 0.933 300 K CB -0.823 31.633 32.500 -0.074 0.000 0.717 300 K HN 0.396 nan 8.250 nan 0.000 0.442 301 G N 1.297 109.949 108.800 -0.247 0.000 2.402 301 G HA2 -0.199 4.570 3.960 1.348 0.000 0.216 301 G HA3 -0.199 4.570 3.960 1.348 0.000 0.216 301 G C 1.499 176.149 174.900 -0.417 0.000 1.162 301 G CA 0.505 45.475 45.100 -0.217 0.000 0.777 301 G HN 0.120 nan 8.290 nan 0.000 0.539 302 I N 0.423 120.531 120.570 -0.770 0.000 2.208 302 I HA -0.152 4.827 4.170 1.348 0.000 0.245 302 I C 2.677 178.517 176.117 -0.461 0.000 1.097 302 I CA 0.792 61.702 61.300 -0.648 0.000 1.363 302 I CB -0.193 37.456 38.000 -0.585 0.000 1.051 302 I HN 0.128 nan 8.210 nan 0.000 0.413 303 L N 0.512 121.380 121.223 -0.593 0.000 2.093 303 L HA -0.198 4.951 4.340 1.348 0.000 0.208 303 L C 2.630 179.346 176.870 -0.256 0.000 1.085 303 L CA 1.246 55.809 54.840 -0.462 0.000 0.755 303 L CB -0.557 41.189 42.059 -0.523 0.000 0.904 303 L HN 0.237 nan 8.230 nan 0.000 0.435 304 K N 0.338 120.611 120.400 -0.213 0.000 2.057 304 K HA -0.214 4.915 4.320 1.348 0.000 0.207 304 K C 1.617 178.163 176.600 -0.091 0.000 1.049 304 K CA 1.866 58.079 56.287 -0.123 0.000 0.931 304 K CB 0.006 32.453 32.500 -0.089 0.000 0.714 304 K HN 0.158 nan 8.250 nan 0.000 0.440 305 D N 0.751 121.105 120.400 -0.076 0.000 2.144 305 D HA -0.120 5.328 4.640 1.348 0.000 0.199 305 D C 1.675 177.936 176.300 -0.065 0.000 0.984 305 D CA 1.154 55.131 54.000 -0.039 0.000 0.834 305 D CB 0.055 40.870 40.800 0.024 0.000 0.955 305 D HN 0.274 nan 8.370 nan 0.000 0.465 306 K N 0.293 120.634 120.400 -0.099 0.000 2.097 306 K HA -0.079 5.050 4.320 1.348 0.000 0.206 306 K C 1.832 178.384 176.600 -0.080 0.000 1.049 306 K CA 0.748 56.978 56.287 -0.095 0.000 0.933 306 K CB 0.150 32.576 32.500 -0.124 0.000 0.717 306 K HN -0.027 nan 8.250 nan 0.000 0.442 307 K N 0.654 121.004 120.400 -0.084 0.000 2.288 307 K HA -0.016 5.113 4.320 1.348 0.000 0.201 307 K C 0.987 177.553 176.600 -0.056 0.000 1.048 307 K CA 0.775 57.021 56.287 -0.068 0.000 0.956 307 K CB -0.026 32.432 32.500 -0.070 0.000 0.746 307 K HN 0.150 nan 8.250 nan 0.000 0.461 308 N N 1.447 120.113 118.700 -0.056 0.000 2.251 308 N HA -0.056 5.493 4.740 1.348 0.000 0.217 308 N C -0.642 174.839 175.510 -0.048 0.000 1.124 308 N CA 0.089 53.109 53.050 -0.049 0.000 0.843 308 N CB 0.286 38.744 38.487 -0.048 0.000 1.024 308 N HN 0.098 nan 8.380 nan 0.000 0.501 309 D N 0.945 121.315 120.400 -0.050 0.000 2.697 309 D HA -0.206 5.243 4.640 1.348 0.000 0.238 309 D C -0.729 175.542 176.300 -0.048 0.000 1.152 309 D CA 0.600 54.571 54.000 -0.048 0.000 0.666 309 D CB -1.157 39.617 40.800 -0.043 0.000 1.037 309 D HN 0.447 nan 8.370 nan 0.000 0.423 310 I N -0.102 120.438 120.570 -0.049 0.000 2.827 310 I HA 0.426 5.405 4.170 1.348 0.000 0.298 310 I C -1.341 174.749 176.117 -0.045 0.000 1.235 310 I CA -0.869 60.402 61.300 -0.049 0.000 1.021 310 I CB 1.918 39.889 38.000 -0.048 0.000 1.259 310 I HN 0.062 nan 8.210 nan 0.000 0.427 311 E N 5.646 125.812 120.200 -0.057 0.000 2.244 311 E HA 0.638 5.797 4.350 1.348 0.000 0.260 311 E C -0.806 175.730 176.600 -0.107 0.000 0.884 311 E CA -0.745 55.625 56.400 -0.050 0.000 0.777 311 E CB 1.849 31.519 29.700 -0.050 0.000 1.197 311 E HN 0.760 nan 8.360 nan 0.000 0.416 312 A N 3.828 126.592 122.820 -0.094 0.000 2.587 312 A HA -0.108 5.020 4.320 1.348 0.000 0.235 312 A C 1.135 178.504 177.584 -0.358 0.000 1.044 312 A CA 0.545 52.467 52.037 -0.192 0.000 0.754 312 A CB 0.473 19.318 19.000 -0.257 0.000 0.968 312 A HN 0.980 nan 8.150 nan 0.000 0.509 313 Q N 1.168 120.765 119.800 -0.340 0.000 2.112 313 Q HA -0.194 4.955 4.340 1.348 0.000 0.206 313 Q C 0.291 175.718 176.000 -0.956 0.000 0.987 313 Q CA 2.188 57.645 55.803 -0.577 0.000 0.858 313 Q CB -0.059 28.411 28.738 -0.448 0.000 0.905 313 Q HN 0.889 nan 8.270 nan 0.000 0.420 314 W N -0.226 120.909 121.300 -0.275 0.000 2.764 314 W HA 0.221 5.697 4.660 1.359 0.000 0.427 314 W C 0.022 176.490 176.519 -0.085 0.000 0.896 314 W CA -0.252 57.007 57.345 -0.143 0.000 2.307 314 W CB 0.147 29.668 29.460 0.101 0.000 1.192 314 W HN 0.358 nan 8.180 nan 0.000 0.731 315 H N -0.484 118.678 119.070 0.153 0.000 1.452 315 H HA -0.390 4.973 4.556 1.346 0.000 0.090 315 H C 1.771 177.239 175.328 0.234 0.000 0.964 315 H CA 1.895 58.028 56.048 0.141 0.000 1.901 315 H CB -1.105 28.707 29.762 0.084 0.000 2.257 315 H HN 0.195 nan 8.280 nan 0.000 0.961 316 D N 0.851 121.461 120.400 0.350 0.000 2.221 316 D HA -0.188 5.261 4.640 1.348 0.000 0.204 316 D C 1.736 178.141 176.300 0.175 0.000 0.982 316 D CA 1.764 55.903 54.000 0.233 0.000 0.857 316 D CB -0.532 40.333 40.800 0.108 0.000 0.934 316 D HN 0.724 nan 8.370 nan 0.000 0.475 317 E N 0.709 121.042 120.200 0.223 0.000 2.150 317 E HA -0.124 5.035 4.350 1.348 0.000 0.193 317 E C 1.832 178.505 176.600 0.121 0.000 0.985 317 E CA 0.877 57.381 56.400 0.174 0.000 0.814 317 E CB 0.178 30.042 29.700 0.273 0.000 0.752 317 E HN 0.131 nan 8.360 nan 0.000 0.466 318 S N -0.093 115.694 115.700 0.145 0.000 2.368 318 S HA -0.130 5.149 4.470 1.348 0.000 0.224 318 S C 1.696 176.232 174.600 -0.107 0.000 1.029 318 S CA 0.822 59.044 58.200 0.037 0.000 0.988 318 S CB -0.345 62.822 63.200 -0.055 0.000 0.838 318 S HN 0.442 nan 8.310 nan 0.000 0.462 319 H N 0.485 119.558 119.070 0.004 0.000 2.389 319 H HA 0.048 5.412 4.556 1.347 0.000 0.299 319 H C 2.221 177.489 175.328 -0.100 0.000 1.081 319 H CA 1.129 57.148 56.048 -0.048 0.000 1.345 319 H CB -0.529 29.198 29.762 -0.058 0.000 1.393 319 H HN 0.224 nan 8.280 nan 0.000 0.520 320 L N 1.424 122.622 121.223 -0.042 0.000 2.046 320 L HA -0.134 5.015 4.340 1.348 0.000 0.208 320 L C 1.894 178.697 176.870 -0.112 0.000 1.077 320 L CA 1.428 56.120 54.840 -0.246 0.000 0.747 320 L CB -0.580 41.301 42.059 -0.297 0.000 0.896 320 L HN 0.124 nan 8.230 nan 0.000 0.432 321 N N -0.278 118.430 118.700 0.014 0.000 2.188 321 N HA -0.208 5.341 4.740 1.348 0.000 0.184 321 N C 1.833 177.353 175.510 0.016 0.000 1.018 321 N CA 1.176 54.298 53.050 0.121 0.000 0.858 321 N CB -0.024 38.484 38.487 0.035 0.000 0.989 321 N HN 0.256 nan 8.380 nan 0.000 0.426 322 K N 0.879 121.232 120.400 -0.077 0.000 2.057 322 K HA -0.149 4.980 4.320 1.348 0.000 0.207 322 K C 2.023 178.591 176.600 -0.053 0.000 1.049 322 K CA 1.042 57.261 56.287 -0.114 0.000 0.931 322 K CB -0.813 31.628 32.500 -0.098 0.000 0.714 322 K HN 0.169 nan 8.250 nan 0.000 0.440 323 Y N -0.004 120.203 120.300 -0.156 0.000 2.097 323 Y HA -0.162 5.196 4.550 1.346 0.000 0.282 323 Y C 1.668 177.494 175.900 -0.122 0.000 1.152 323 Y CA 2.067 60.045 58.100 -0.202 0.000 1.136 323 Y CB -0.448 37.788 38.460 -0.374 0.000 0.975 323 Y HN 0.115 nan 8.280 nan 0.000 0.498 324 F N -1.133 118.873 119.950 0.092 0.000 2.451 324 F HA -0.175 5.162 4.527 1.351 0.000 0.299 324 F C 2.030 177.789 175.800 -0.068 0.000 1.101 324 F CA 0.154 58.136 58.000 -0.030 0.000 1.436 324 F CB -0.039 38.855 39.000 -0.176 0.000 1.074 324 F HN 0.231 nan 8.300 nan 0.000 0.553 325 L N 0.187 121.474 121.223 0.108 0.000 2.095 325 L HA -0.101 5.048 4.340 1.348 0.000 0.204 325 L C 1.847 178.636 176.870 -0.135 0.000 1.080 325 L CA 1.710 56.547 54.840 -0.006 0.000 0.759 325 L CB -0.567 41.442 42.059 -0.083 0.000 0.914 325 L HN 0.055 nan 8.230 nan 0.000 0.439 326 L N -0.558 120.550 121.223 -0.192 0.000 2.095 326 L HA -0.015 5.134 4.340 1.348 0.000 0.204 326 L C 0.356 177.043 176.870 -0.304 0.000 1.080 326 L CA 0.578 55.272 54.840 -0.244 0.000 0.759 326 L CB -0.389 41.508 42.059 -0.271 0.000 0.914 326 L HN 0.274 nan 8.230 nan 0.000 0.439 327 N N 1.183 119.640 118.700 -0.404 0.000 2.800 327 N HA 0.194 5.743 4.740 1.348 0.000 0.240 327 N C -0.809 174.599 175.510 -0.169 0.000 1.096 327 N CA -0.168 52.670 53.050 -0.354 0.000 0.877 327 N CB 1.072 39.183 38.487 -0.627 0.000 1.138 327 N HN 0.147 nan 8.380 nan 0.000 0.509 328 K N 2.147 122.356 120.400 -0.317 0.000 2.484 328 K HA 0.058 5.187 4.320 1.348 0.000 0.280 328 K C -1.949 174.513 176.600 -0.229 0.000 1.013 328 K CA -0.699 55.287 56.287 -0.503 0.000 1.029 328 K CB 0.269 31.946 32.500 -1.372 0.000 0.902 328 K HN 0.291 nan 8.250 nan 0.000 0.481 329 P HA -0.057 nan 4.420 nan 0.000 0.269 329 P C 0.339 177.731 177.300 0.153 0.000 1.209 329 P CA -0.033 62.979 63.100 -0.146 0.000 0.776 329 P CB 0.939 32.265 31.700 -0.624 0.000 0.876 330 T N -0.929 113.696 114.554 0.118 0.000 3.113 330 T HA 0.078 5.237 4.350 1.348 0.000 0.256 330 T C 0.531 175.296 174.700 0.108 0.000 1.131 330 T CA 0.429 62.631 62.100 0.170 0.000 1.074 330 T CB 0.015 68.963 68.868 0.134 0.000 0.944 330 T HN 0.521 nan 8.240 nan 0.000 0.516 331 K N 0.186 120.609 120.400 0.039 0.000 2.557 331 K HA 0.591 5.719 4.320 1.348 0.000 0.257 331 K C -2.066 174.483 176.600 -0.086 0.000 0.933 331 K CA -0.908 55.361 56.287 -0.030 0.000 0.820 331 K CB 1.801 34.280 32.500 -0.034 0.000 1.330 331 K HN 0.181 nan 8.250 nan 0.000 0.432 332 I N 4.669 125.168 120.570 -0.120 0.000 2.569 332 I HA 0.392 5.371 4.170 1.348 0.000 0.296 332 I C -0.594 175.408 176.117 -0.192 0.000 1.028 332 I CA -1.153 60.062 61.300 -0.142 0.000 1.082 332 I CB 1.846 39.748 38.000 -0.164 0.000 1.264 332 I HN 0.415 nan 8.210 nan 0.000 0.429 333 L N 3.937 125.043 121.223 -0.196 0.000 2.322 333 L HA 0.455 5.603 4.340 1.348 0.000 0.279 333 L C 0.570 177.264 176.870 -0.293 0.000 1.036 333 L CA -0.569 54.070 54.840 -0.336 0.000 0.807 333 L CB 1.733 43.543 42.059 -0.415 0.000 1.226 333 L HN 0.699 nan 8.230 nan 0.000 0.433 334 S N 2.285 117.716 115.700 -0.448 0.000 2.608 334 S HA 0.268 5.547 4.470 1.348 0.000 0.261 334 S C -1.625 172.716 174.600 -0.432 0.000 1.314 334 S CA -1.001 56.684 58.200 -0.860 0.000 0.992 334 S CB 0.712 62.740 63.200 -1.952 0.000 0.935 334 S HN 0.560 nan 8.310 nan 0.000 0.564 335 P HA -0.062 nan 4.420 nan 0.000 0.228 335 P C 0.671 177.953 177.300 -0.031 0.000 1.151 335 P CA 0.949 63.982 63.100 -0.110 0.000 0.770 335 P CB -0.121 31.506 31.700 -0.123 0.000 0.786 336 E N -1.005 119.031 120.200 -0.273 0.000 2.268 336 E HA -0.160 4.999 4.350 1.348 0.000 0.195 336 E C 1.124 177.581 176.600 -0.239 0.000 0.995 336 E CA 0.895 57.125 56.400 -0.282 0.000 0.836 336 E CB -0.497 29.004 29.700 -0.330 0.000 0.763 336 E HN 0.415 nan 8.360 nan 0.000 0.491 337 Y N -1.213 119.024 120.300 -0.105 0.000 2.490 337 Y HA 0.113 4.566 4.550 -0.162 0.000 0.281 337 Y C 0.605 176.601 175.900 0.161 0.000 1.174 337 Y CA -0.045 58.037 58.100 -0.029 0.000 1.295 337 Y CB 0.780 39.127 38.460 -0.189 0.000 1.062 337 Y HN -0.008 nan 8.280 nan 0.000 0.522 338 C N 1.200 120.684 119.300 0.306 0.000 2.993 338 C HA 0.135 5.404 4.460 1.348 0.000 0.298 338 C C -0.822 174.462 174.990 0.490 0.000 0.906 338 C CA -1.160 58.105 59.018 0.413 0.000 1.090 338 C CB -1.233 26.787 27.740 0.467 0.000 1.656 338 C HN 0.533 nan 8.230 nan 0.000 0.648 339 W N 3.384 124.697 121.300 0.021 0.000 2.438 339 W HA 0.463 5.901 4.660 1.296 0.000 0.324 339 W C -0.732 175.427 176.519 -0.601 0.000 1.119 339 W CA 0.156 57.317 57.345 -0.306 0.000 1.221 339 W CB 1.219 30.401 29.460 -0.463 0.000 1.253 339 W HN 0.596 nan 8.180 nan 0.000 0.555 340 D N 4.244 123.436 120.400 -2.013 0.000 2.427 340 D HA 0.095 5.543 4.640 1.348 0.000 0.226 340 D C 0.373 175.852 176.300 -1.369 0.000 1.076 340 D CA -0.323 52.626 54.000 -1.753 0.000 0.849 340 D CB 0.296 39.847 40.800 -2.082 0.000 1.052 340 D HN 0.350 nan 8.370 nan 0.000 0.515 341 Y N 1.668 121.659 120.300 -0.514 0.000 2.569 341 Y HA -0.175 5.199 4.550 1.373 0.000 0.293 341 Y C 1.929 177.745 175.900 -0.141 0.000 1.144 341 Y CA 0.627 58.631 58.100 -0.161 0.000 1.321 341 Y CB -0.043 38.439 38.460 0.036 0.000 0.982 341 Y HN 0.613 nan 8.280 nan 0.000 0.558 342 H N 0.076 119.055 119.070 -0.153 0.000 2.491 342 H HA -0.103 5.260 4.556 1.345 0.000 0.290 342 H C 1.754 176.993 175.328 -0.148 0.000 1.050 342 H CA 1.433 57.450 56.048 -0.052 0.000 1.309 342 H CB -0.226 29.577 29.762 0.068 0.000 1.392 342 H HN 0.350 nan 8.280 nan 0.000 0.554 343 I N -0.607 119.657 120.570 -0.511 0.000 2.761 343 I HA 0.077 5.055 4.170 1.348 0.000 0.261 343 I C 1.497 177.486 176.117 -0.212 0.000 1.198 343 I CA 0.567 61.479 61.300 -0.646 0.000 1.482 343 I CB -0.230 37.136 38.000 -1.055 0.000 1.100 343 I HN 0.547 nan 8.210 nan 0.000 0.445 344 G N 1.283 110.077 108.800 -0.010 0.000 2.472 344 G HA2 -0.158 4.611 3.960 1.348 0.000 0.205 344 G HA3 -0.158 4.611 3.960 1.348 0.000 0.205 344 G C -1.158 173.961 174.900 0.364 0.000 1.270 344 G CA -0.580 44.601 45.100 0.135 0.000 0.974 344 G HN 0.033 nan 8.290 nan 0.000 0.542 345 L N 2.582 123.934 121.223 0.216 0.000 2.492 345 L HA 0.603 5.752 4.340 1.348 0.000 0.258 345 L C -1.463 175.405 176.870 -0.004 0.000 1.028 345 L CA -1.302 53.611 54.840 0.121 0.000 0.900 345 L CB 0.980 43.113 42.059 0.124 0.000 1.191 345 L HN 0.730 nan 8.230 nan 0.000 0.459 346 P HA 0.310 nan 4.420 nan 0.000 0.277 346 P C 0.590 177.839 177.300 -0.086 0.000 1.271 346 P CA -0.250 62.828 63.100 -0.038 0.000 0.795 346 P CB 1.048 32.759 31.700 0.019 0.000 1.101 347 A N 0.687 123.476 122.820 -0.052 0.000 1.948 347 A HA -0.213 4.916 4.320 1.348 0.000 0.220 347 A C 1.750 179.288 177.584 -0.076 0.000 1.177 347 A CA 2.059 54.059 52.037 -0.061 0.000 0.636 347 A CB -1.150 17.822 19.000 -0.047 0.000 0.815 347 A HN 0.570 nan 8.150 nan 0.000 0.449 348 D N -0.106 120.261 120.400 -0.055 0.000 2.218 348 D HA -0.058 5.391 4.640 1.348 0.000 0.204 348 D C 0.498 176.791 176.300 -0.013 0.000 0.976 348 D CA 0.626 54.599 54.000 -0.044 0.000 0.853 348 D CB -0.190 40.660 40.800 0.083 0.000 0.939 348 D HN 0.303 nan 8.370 nan 0.000 0.481 349 I N 2.370 122.825 120.570 -0.192 0.000 2.243 349 I HA 0.025 5.004 4.170 1.348 0.000 0.297 349 I C 1.377 177.353 176.117 -0.234 0.000 1.161 349 I CA -0.163 60.922 61.300 -0.358 0.000 1.298 349 I CB 0.485 37.918 38.000 -0.945 0.000 1.475 349 I HN -0.234 nan 8.210 nan 0.000 0.561 350 K N 3.406 123.743 120.400 -0.105 0.000 2.062 350 K HA 0.049 5.178 4.320 1.348 0.000 0.205 350 K C 0.447 176.999 176.600 -0.081 0.000 1.051 350 K CA 0.917 57.160 56.287 -0.074 0.000 0.941 350 K CB 0.206 32.691 32.500 -0.025 0.000 0.719 350 K HN 0.352 nan 8.250 nan 0.000 0.440 351 L N 0.614 121.778 121.223 -0.099 0.000 2.541 351 L HA 0.241 5.390 4.340 1.348 0.000 0.266 351 L C -1.340 175.437 176.870 -0.156 0.000 0.966 351 L CA -0.486 54.299 54.840 -0.093 0.000 0.871 351 L CB 1.964 43.992 42.059 -0.052 0.000 1.232 351 L HN -0.266 nan 8.230 nan 0.000 0.408 352 V N 5.943 125.781 119.914 -0.127 0.000 2.508 352 V HA 0.176 5.105 4.120 1.348 0.000 0.281 352 V C 0.858 176.884 176.094 -0.114 0.000 1.041 352 V CA -0.060 62.160 62.300 -0.134 0.000 1.016 352 V CB 0.927 32.729 31.823 -0.036 0.000 0.984 352 V HN 0.769 nan 8.190 nan 0.000 0.478 353 K N 3.428 123.719 120.400 -0.182 0.000 2.308 353 K HA 0.355 5.484 4.320 1.348 0.000 0.197 353 K C 0.147 176.794 176.600 0.079 0.000 1.049 353 K CA 0.404 56.632 56.287 -0.098 0.000 0.991 353 K CB 0.300 32.629 32.500 -0.286 0.000 0.836 353 K HN 0.651 nan 8.250 nan 0.000 0.500 354 M N -0.089 119.546 119.600 0.059 0.000 2.413 354 M HA 0.316 5.604 4.480 1.348 0.000 0.287 354 M C -1.776 174.586 176.300 0.103 0.000 1.186 354 M CA -0.366 54.956 55.300 0.038 0.000 0.927 354 M CB 2.267 34.846 32.600 -0.034 0.000 1.715 354 M HN 0.020 nan 8.290 nan 0.000 0.478 355 S N 2.001 117.778 115.700 0.129 0.000 2.542 355 S HA 0.788 6.067 4.470 1.348 0.000 0.293 355 S C -1.550 173.230 174.600 0.301 0.000 1.089 355 S CA -0.767 57.542 58.200 0.181 0.000 0.961 355 S CB 0.839 64.177 63.200 0.230 0.000 1.062 355 S HN 0.691 nan 8.310 nan 0.000 0.483 356 W N 1.759 123.060 121.300 0.003 0.000 2.170 356 W HA 0.367 5.809 4.660 1.303 0.000 0.336 356 W C 0.834 177.372 176.519 0.031 0.000 1.283 356 W CA -0.662 56.694 57.345 0.017 0.000 1.224 356 W CB 0.138 29.613 29.460 0.025 0.000 1.132 356 W HN 0.564 nan 8.180 nan 0.000 0.571 357 Q N 1.311 121.228 119.800 0.195 0.000 2.259 357 Q HA 0.215 5.364 4.340 1.348 0.000 0.246 357 Q C 0.116 176.198 176.000 0.136 0.000 0.920 357 Q CA -0.186 55.691 55.803 0.123 0.000 0.895 357 Q CB 1.091 29.793 28.738 -0.060 0.000 1.220 357 Q HN 0.340 nan 8.270 nan 0.000 0.439 358 T N 3.135 117.773 114.554 0.141 0.000 2.940 358 T HA 0.050 5.209 4.350 1.348 0.000 0.309 358 T C 0.319 175.027 174.700 0.013 0.000 1.056 358 T CA -0.256 61.894 62.100 0.083 0.000 1.137 358 T CB 0.362 69.269 68.868 0.065 0.000 0.976 358 T HN 0.086 nan 8.240 nan 0.000 0.547 359 K N 3.224 123.559 120.400 -0.108 0.000 2.350 359 K HA 0.165 5.294 4.320 1.348 0.000 0.279 359 K C 0.481 176.907 176.600 -0.290 0.000 1.027 359 K CA 0.118 56.204 56.287 -0.335 0.000 0.969 359 K CB 0.538 32.618 32.500 -0.700 0.000 0.954 359 K HN 0.676 nan 8.250 nan 0.000 0.474 360 E N 2.392 122.449 120.200 -0.239 0.000 4.017 360 E HA 0.087 5.246 4.350 1.348 0.000 0.205 360 E C 0.274 176.839 176.600 -0.059 0.000 1.054 360 E CA -0.075 56.259 56.400 -0.110 0.000 1.398 360 E CB 0.178 29.880 29.700 0.004 0.000 1.164 360 E HN 0.533 nan 8.360 nan 0.000 0.445 361 Y N 0.416 120.652 120.300 -0.107 0.000 2.151 361 Y HA -0.332 5.026 4.550 1.345 0.000 0.284 361 Y C 2.486 178.310 175.900 -0.128 0.000 1.166 361 Y CA 1.039 59.043 58.100 -0.160 0.000 1.163 361 Y CB -0.149 38.208 38.460 -0.172 0.000 0.974 361 Y HN 0.291 nan 8.280 nan 0.000 0.511 362 N N 0.250 118.996 118.700 0.077 0.000 2.192 362 N HA -0.163 5.386 4.740 1.348 0.000 0.188 362 N C 1.284 176.797 175.510 0.005 0.000 1.013 362 N CA 1.520 54.591 53.050 0.036 0.000 0.863 362 N CB -0.202 38.301 38.487 0.026 0.000 0.990 362 N HN 0.114 nan 8.380 nan 0.000 0.430 363 V N -0.781 119.116 119.914 -0.028 0.000 2.788 363 V HA -0.001 4.928 4.120 1.348 0.000 0.241 363 V C 2.047 178.045 176.094 -0.160 0.000 1.083 363 V CA 0.997 63.256 62.300 -0.069 0.000 1.103 363 V CB 0.197 31.992 31.823 -0.047 0.000 0.800 363 V HN 0.355 nan 8.190 nan 0.000 0.476 364 V N -1.387 118.374 119.914 -0.254 0.000 3.041 364 V HA 0.167 5.095 4.120 1.348 0.000 0.260 364 V C 1.068 177.142 176.094 -0.032 0.000 1.105 364 V CA 0.658 62.760 62.300 -0.331 0.000 1.125 364 V CB -0.648 30.763 31.823 -0.686 0.000 0.730 364 V HN 0.371 nan 8.190 nan 0.000 0.479 365 R N 0.315 120.804 120.500 -0.018 0.000 2.732 365 R HA 0.506 5.655 4.340 1.348 0.000 0.278 365 R C 0.223 176.540 176.300 0.028 0.000 0.976 365 R CA 0.046 56.143 56.100 -0.006 0.000 0.963 365 R CB 1.474 31.596 30.300 -0.296 0.000 1.150 365 R HN 0.301 nan 8.270 nan 0.000 0.478 366 N N 0.166 118.926 118.700 0.099 0.000 2.571 366 N HA -0.035 5.514 4.740 1.348 0.000 0.195 366 N C -0.199 175.389 175.510 0.130 0.000 1.040 366 N CA 0.005 53.115 53.050 0.099 0.000 0.890 366 N CB 0.304 38.848 38.487 0.095 0.000 1.233 366 N HN 0.549 nan 8.380 nan 0.000 0.435 367 N N 1.433 120.268 118.700 0.225 0.000 2.477 367 N HA 0.231 5.780 4.740 1.348 0.000 0.284 367 N C 0.613 176.324 175.510 0.334 0.000 1.182 367 N CA -0.315 52.865 53.050 0.216 0.000 0.949 367 N CB 1.382 39.956 38.487 0.143 0.000 1.204 367 N HN -0.072 nan 8.380 nan 0.000 0.526 368 V N 0.000 120.045 119.914 0.219 0.000 2.409 368 V HA 0.000 4.929 4.120 1.348 0.000 0.244 368 V CA 0.000 62.441 62.300 0.235 0.000 1.235 368 V CB 0.000 31.926 31.823 0.171 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556