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 3bf0_1_C DATA FIRST_RESID 56 DATA SEQUENCE RGALLLDISG VIVDKPDXXX XXXXXXXXXX XXXXXRLQEN SLFDIVNTIR DATA SEQUENCE QAKDDRNITG IVMDLKNFAG GDQPSMQYIG KALKEFRDSG KPVYAVGENY DATA SEQUENCE SQGQYYLASF ANKIWLSPQG VVDLHGFATN GLYYKSLLDK LKVSTHVFRV DATA SEQUENCE GTYKSAVEPF IRDDMSPAAR EADSRWIGEL WQNYLNTVAA NRQIPAEQVF DATA SEQUENCE PGAQGLLEGL TKTGGDTAKY ALENKLVDAL ASSAEIEKAL TKEFGWSKTD DATA SEQUENCE KNYRAISYYD YALKTPADTG DSIGVVFANG AIMDGEETQG NVGGDTTAAQ DATA SEQUENCE IRDARLDPKV KAIVLRVNSP GGSVTASEVI RAELAAARAA GKPVVVSMGG DATA SEQUENCE MAASGGYWIS TPANYIVANP STLTGSIGIF GVITTVENSL DSIGVHTDGV DATA SEQUENCE STSPLADVSI TRALPPEAQL MMQLSIENGY KRFITLVADA RHSTPEQIDK DATA SEQUENCE IAQGHVWTGQ DAKANGLVDS LGDFDDAVAK AAELAKVKQW HLEYYV 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 56 R HA 0.000 nan 4.340 nan 0.000 0.208 56 R C 0.000 176.368 176.300 0.113 0.000 0.893 56 R CA 0.000 56.162 56.100 0.103 0.000 0.921 56 R CB 0.000 30.368 30.300 0.113 0.000 0.687 57 G N 0.289 109.160 108.800 0.118 0.000 2.706 57 G HA2 0.725 4.684 3.960 -0.001 0.000 0.307 57 G HA3 0.725 4.684 3.960 -0.001 0.000 0.307 57 G C -1.615 173.320 174.900 0.059 0.000 1.307 57 G CA -0.102 45.054 45.100 0.093 0.000 0.790 57 G HN 0.586 nan 8.290 nan 0.000 0.503 58 A N -0.780 121.935 122.820 -0.175 0.000 2.295 58 A HA 0.698 5.017 4.320 -0.001 0.000 0.318 58 A C -0.614 176.840 177.584 -0.217 0.000 1.134 58 A CA -0.490 51.331 52.037 -0.359 0.000 0.827 58 A CB 1.327 19.712 19.000 -1.026 0.000 1.136 58 A HN 1.312 nan 8.150 nan 0.000 0.493 59 L N 2.165 123.267 121.223 -0.203 0.000 2.313 59 L HA 0.446 4.785 4.340 -0.001 0.000 0.282 59 L C -0.607 176.157 176.870 -0.178 0.000 1.092 59 L CA -0.358 54.330 54.840 -0.254 0.000 0.831 59 L CB 0.735 42.572 42.059 -0.370 0.000 1.159 59 L HN 0.578 nan 8.230 nan 0.000 0.442 60 L N 6.809 127.962 121.223 -0.116 0.000 2.261 60 L HA 0.364 4.704 4.340 -0.001 0.000 0.289 60 L C -0.654 176.201 176.870 -0.024 0.000 1.059 60 L CA 0.126 54.941 54.840 -0.041 0.000 0.816 60 L CB 0.519 42.571 42.059 -0.012 0.000 1.191 60 L HN 0.573 nan 8.230 nan 0.000 0.431 61 L N 5.743 126.935 121.223 -0.052 0.000 2.389 61 L HA 0.254 4.594 4.340 -0.001 0.000 0.265 61 L C -0.309 176.538 176.870 -0.037 0.000 1.167 61 L CA -0.433 54.344 54.840 -0.105 0.000 1.045 61 L CB -0.010 41.929 42.059 -0.201 0.000 1.351 61 L HN 0.638 nan 8.230 nan 0.000 0.419 62 D N 2.727 123.160 120.400 0.056 0.000 2.781 62 D HA 0.128 4.768 4.640 -0.001 0.000 0.254 62 D C 0.249 176.701 176.300 0.254 0.000 1.213 62 D CA -0.553 53.537 54.000 0.150 0.000 0.994 62 D CB 0.306 41.218 40.800 0.186 0.000 1.019 62 D HN 0.018 nan 8.370 nan 0.000 0.514 63 I N 0.845 121.467 120.570 0.086 0.000 2.598 63 I HA 0.082 4.251 4.170 -0.001 0.000 0.284 63 I C 0.786 177.080 176.117 0.294 0.000 1.140 63 I CA -0.148 61.230 61.300 0.130 0.000 1.420 63 I CB 0.335 38.225 38.000 -0.183 0.000 1.387 63 I HN 0.194 nan 8.210 nan 0.000 0.553 64 S N 4.581 120.509 115.700 0.380 0.000 2.449 64 S HA 0.800 5.270 4.470 -0.001 0.000 0.310 64 S C 0.088 174.831 174.600 0.237 0.000 1.096 64 S CA 0.437 58.782 58.200 0.242 0.000 1.095 64 S CB 1.047 64.308 63.200 0.101 0.000 1.007 64 S HN 1.237 nan 8.310 nan 0.000 0.474 65 G N 2.516 111.446 108.800 0.217 0.000 2.418 65 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.206 65 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.206 65 G C -0.488 174.528 174.900 0.192 0.000 1.202 65 G CA -0.277 44.921 45.100 0.162 0.000 1.061 65 G HN 1.890 nan 8.290 nan 0.000 0.563 66 V N -1.319 118.684 119.914 0.149 0.000 2.850 66 V HA 0.849 4.969 4.120 -0.001 0.000 0.315 66 V C 0.524 176.736 176.094 0.196 0.000 1.064 66 V CA -1.427 60.953 62.300 0.134 0.000 0.979 66 V CB 1.722 33.576 31.823 0.052 0.000 1.039 66 V HN 0.941 nan 8.190 nan 0.000 0.452 67 I N 3.750 124.447 120.570 0.213 0.000 2.331 67 I HA 0.617 4.786 4.170 -0.001 0.000 0.292 67 I C 0.173 176.329 176.117 0.065 0.000 0.998 67 I CA -0.218 61.161 61.300 0.131 0.000 1.267 67 I CB 1.036 39.115 38.000 0.132 0.000 1.386 67 I HN 0.802 nan 8.210 nan 0.000 0.476 68 V N 2.394 122.329 119.914 0.035 0.000 3.102 68 V HA 0.586 4.705 4.120 -0.001 0.000 0.312 68 V C 0.475 176.574 176.094 0.008 0.000 1.135 68 V CA -0.689 61.623 62.300 0.019 0.000 1.022 68 V CB 2.117 33.949 31.823 0.016 0.000 1.056 68 V HN 0.542 nan 8.190 nan 0.000 0.436 69 D N 1.416 121.837 120.400 0.036 0.000 2.097 69 D HA 0.134 4.774 4.640 -0.001 0.000 0.195 69 D C 0.962 177.218 176.300 -0.074 0.000 0.989 69 D CA 2.646 56.735 54.000 0.149 0.000 0.827 69 D CB -0.039 40.897 40.800 0.227 0.000 0.966 69 D HN 1.032 nan 8.370 nan 0.000 0.456 70 K N 0.486 120.744 120.400 -0.236 0.000 2.619 70 K HA 0.485 4.804 4.320 -0.001 0.000 0.251 70 K C -2.870 173.638 176.600 -0.153 0.000 0.987 70 K CA -1.528 54.547 56.287 -0.353 0.000 0.844 70 K CB 0.819 32.873 32.500 -0.743 0.000 1.237 70 K HN -0.203 nan 8.250 nan 0.000 0.447 71 P HA -0.121 nan 4.420 nan 0.000 0.265 71 P C -0.006 177.277 177.300 -0.028 0.000 1.151 71 P CA 1.365 64.448 63.100 -0.029 0.000 0.755 71 P CB 0.117 31.812 31.700 -0.009 0.000 0.756 92 L N 0.777 121.837 121.223 -0.271 0.000 2.499 92 L HA 0.474 4.814 4.340 -0.001 0.000 0.281 92 L C 1.759 178.664 176.870 0.057 0.000 1.234 92 L CA 1.116 55.953 54.840 -0.004 0.000 0.839 92 L CB 0.283 42.417 42.059 0.126 0.000 1.104 92 L HN 0.972 nan 8.230 nan 0.000 0.500 93 Q N -0.310 119.522 119.800 0.052 0.000 2.245 93 Q HA 0.016 4.355 4.340 -0.001 0.000 0.201 93 Q C 0.463 176.517 176.000 0.091 0.000 0.955 93 Q CA 1.592 57.435 55.803 0.067 0.000 0.870 93 Q CB 0.200 28.961 28.738 0.039 0.000 0.945 93 Q HN 0.840 nan 8.270 nan 0.000 0.461 94 E N 1.555 121.810 120.200 0.091 0.000 2.145 94 E HA 0.298 4.648 4.350 -0.001 0.000 0.270 94 E C -1.201 175.474 176.600 0.125 0.000 0.906 94 E CA -0.512 55.943 56.400 0.091 0.000 0.761 94 E CB 1.215 30.950 29.700 0.057 0.000 1.116 94 E HN 0.331 nan 8.360 nan 0.000 0.408 95 N N 1.661 120.438 118.700 0.129 0.000 2.342 95 N HA 0.105 4.844 4.740 -0.001 0.000 0.293 95 N C -0.789 174.767 175.510 0.077 0.000 1.026 95 N CA -0.460 52.672 53.050 0.136 0.000 0.857 95 N CB 2.078 40.638 38.487 0.123 0.000 1.256 95 N HN 0.230 nan 8.380 nan 0.000 0.484 96 S N 1.723 117.478 115.700 0.092 0.000 2.488 96 S HA 0.028 4.497 4.470 -0.001 0.000 0.278 96 S C 1.372 175.982 174.600 0.018 0.000 1.259 96 S CA -0.654 57.595 58.200 0.080 0.000 1.061 96 S CB 0.249 63.529 63.200 0.133 0.000 0.910 96 S HN 0.521 nan 8.310 nan 0.000 0.491 97 L N 6.610 127.780 121.223 -0.088 0.000 2.043 97 L HA -0.007 4.332 4.340 -0.001 0.000 0.212 97 L C 1.461 178.157 176.870 -0.290 0.000 1.075 97 L CA 2.134 56.803 54.840 -0.285 0.000 0.752 97 L CB -0.834 40.913 42.059 -0.520 0.000 0.891 97 L HN 0.817 nan 8.230 nan 0.000 0.432 98 F N -0.530 119.454 119.950 0.056 0.000 2.234 98 F HA -0.092 4.435 4.527 -0.001 0.000 0.296 98 F C 2.418 178.267 175.800 0.082 0.000 1.089 98 F CA 1.177 59.231 58.000 0.089 0.000 1.343 98 F CB -0.812 38.234 39.000 0.076 0.000 1.040 98 F HN 0.110 nan 8.300 nan 0.000 0.498 99 D N 0.789 121.339 120.400 0.250 0.000 2.117 99 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 99 D C 2.334 178.753 176.300 0.198 0.000 0.987 99 D CA 1.472 55.602 54.000 0.216 0.000 0.829 99 D CB -0.216 40.718 40.800 0.222 0.000 0.961 99 D HN 0.261 nan 8.370 nan 0.000 0.460 100 I N 0.709 121.316 120.570 0.062 0.000 2.113 100 I HA -0.259 3.910 4.170 -0.001 0.000 0.238 100 I C 2.639 178.695 176.117 -0.101 0.000 1.070 100 I CA 0.709 61.941 61.300 -0.113 0.000 1.332 100 I CB -0.389 37.402 38.000 -0.349 0.000 1.044 100 I HN -0.142 nan 8.210 nan 0.000 0.402 101 V N 1.396 121.206 119.914 -0.172 0.000 2.282 101 V HA -0.330 3.790 4.120 -0.001 0.000 0.249 101 V C 2.130 178.187 176.094 -0.063 0.000 1.057 101 V CA 2.224 64.383 62.300 -0.234 0.000 1.032 101 V CB -0.875 30.631 31.823 -0.529 0.000 0.645 101 V HN 0.471 nan 8.190 nan 0.000 0.447 102 N N -0.446 118.285 118.700 0.053 0.000 2.309 102 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 102 N C 1.833 177.421 175.510 0.131 0.000 1.018 102 N CA 1.631 54.753 53.050 0.120 0.000 0.876 102 N CB -0.432 38.164 38.487 0.181 0.000 0.972 102 N HN 0.486 nan 8.380 nan 0.000 0.434 103 T N 1.475 116.118 114.554 0.148 0.000 2.770 103 T HA 0.119 4.468 4.350 -0.001 0.000 0.258 103 T C 2.087 176.880 174.700 0.155 0.000 1.039 103 T CA 0.383 62.614 62.100 0.219 0.000 1.143 103 T CB -0.116 68.943 68.868 0.318 0.000 0.866 103 T HN 0.123 nan 8.240 nan 0.000 0.428 104 I N 0.987 121.581 120.570 0.039 0.000 2.185 104 I HA -0.285 3.885 4.170 -0.001 0.000 0.246 104 I C 2.725 178.905 176.117 0.106 0.000 1.088 104 I CA 1.557 62.840 61.300 -0.027 0.000 1.347 104 I CB -0.373 37.544 38.000 -0.138 0.000 1.041 104 I HN 0.149 nan 8.210 nan 0.000 0.415 105 R N -0.034 120.525 120.500 0.098 0.000 2.090 105 R HA -0.154 4.185 4.340 -0.001 0.000 0.228 105 R C 2.329 178.717 176.300 0.147 0.000 1.110 105 R CA 0.978 57.151 56.100 0.122 0.000 0.973 105 R CB -0.292 30.061 30.300 0.089 0.000 0.869 105 R HN 0.453 nan 8.270 nan 0.000 0.440 106 Q N 0.482 120.383 119.800 0.168 0.000 2.084 106 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 106 Q C 2.000 178.146 176.000 0.243 0.000 0.978 106 Q CA 1.660 57.583 55.803 0.200 0.000 0.844 106 Q CB -0.047 28.834 28.738 0.239 0.000 0.898 106 Q HN 0.371 nan 8.270 nan 0.000 0.426 107 A N 1.122 124.088 122.820 0.243 0.000 1.933 107 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 107 A C 1.985 179.752 177.584 0.306 0.000 1.175 107 A CA 1.653 53.817 52.037 0.212 0.000 0.628 107 A CB -0.528 18.505 19.000 0.055 0.000 0.814 107 A HN 0.388 nan 8.150 nan 0.000 0.444 108 K N -0.269 120.318 120.400 0.311 0.000 2.001 108 K HA -0.220 4.099 4.320 -0.001 0.000 0.214 108 K C 0.978 177.578 176.600 -0.000 0.000 1.050 108 K CA 1.988 58.325 56.287 0.083 0.000 0.934 108 K CB -0.217 32.345 32.500 0.103 0.000 0.718 108 K HN 0.419 nan 8.250 nan 0.000 0.443 109 D N 0.583 121.017 120.400 0.058 0.000 2.355 109 D HA -0.075 4.565 4.640 -0.001 0.000 0.218 109 D C -0.083 176.250 176.300 0.054 0.000 1.004 109 D CA 0.445 54.467 54.000 0.037 0.000 0.880 109 D CB -0.088 40.741 40.800 0.047 0.000 0.911 109 D HN 0.263 nan 8.370 nan 0.000 0.528 110 D N 1.353 121.810 120.400 0.095 0.000 2.325 110 D HA -0.011 4.629 4.640 -0.001 0.000 0.251 110 D C 1.648 178.003 176.300 0.092 0.000 1.196 110 D CA -0.350 53.719 54.000 0.116 0.000 0.866 110 D CB 0.832 41.753 40.800 0.201 0.000 1.101 110 D HN 0.048 nan 8.370 nan 0.000 0.476 111 R N 3.781 124.323 120.500 0.070 0.000 2.139 111 R HA -0.188 4.152 4.340 -0.001 0.000 0.243 111 R C 0.528 176.875 176.300 0.078 0.000 1.145 111 R CA 1.027 57.162 56.100 0.059 0.000 0.976 111 R CB -0.329 29.998 30.300 0.046 0.000 0.866 111 R HN 0.285 nan 8.270 nan 0.000 0.449 112 N N 0.660 119.418 118.700 0.097 0.000 2.409 112 N HA 0.037 4.777 4.740 -0.001 0.000 0.179 112 N C 0.228 175.811 175.510 0.121 0.000 1.032 112 N CA 0.631 53.745 53.050 0.106 0.000 0.898 112 N CB 0.082 38.635 38.487 0.110 0.000 0.971 112 N HN 0.207 nan 8.380 nan 0.000 0.441 113 I N 0.766 121.413 120.570 0.128 0.000 2.331 113 I HA 0.037 4.207 4.170 -0.001 0.000 0.292 113 I C 1.054 177.281 176.117 0.183 0.000 0.998 113 I CA -0.022 61.359 61.300 0.135 0.000 1.267 113 I CB 1.577 39.626 38.000 0.082 0.000 1.386 113 I HN -0.017 nan 8.210 nan 0.000 0.476 114 T N 1.135 115.843 114.554 0.257 0.000 3.085 114 T HA 0.608 4.958 4.350 -0.001 0.000 0.264 114 T C 0.353 175.333 174.700 0.467 0.000 1.019 114 T CA -0.139 62.137 62.100 0.292 0.000 0.910 114 T CB 0.047 69.096 68.868 0.302 0.000 1.059 114 T HN 0.794 nan 8.240 nan 0.000 0.542 115 G N 0.484 109.631 108.800 0.578 0.000 2.355 115 G HA2 0.497 4.457 3.960 -0.001 0.000 0.296 115 G HA3 0.497 4.457 3.960 -0.001 0.000 0.296 115 G C -2.078 173.043 174.900 0.368 0.000 1.507 115 G CA -1.034 44.497 45.100 0.719 0.000 0.823 115 G HN 0.304 nan 8.290 nan 0.000 0.569 116 I N 0.113 120.798 120.570 0.192 0.000 2.530 116 I HA 0.575 4.745 4.170 -0.001 0.000 0.297 116 I C -0.324 175.862 176.117 0.115 0.000 1.011 116 I CA -1.225 60.011 61.300 -0.107 0.000 1.107 116 I CB 2.359 40.052 38.000 -0.513 0.000 1.285 116 I HN 0.269 nan 8.210 nan 0.000 0.436 117 V N 6.365 126.314 119.914 0.059 0.000 2.448 117 V HA 0.442 4.561 4.120 -0.001 0.000 0.295 117 V C -0.130 176.023 176.094 0.097 0.000 1.025 117 V CA -0.587 61.818 62.300 0.174 0.000 0.859 117 V CB 1.670 33.594 31.823 0.170 0.000 0.988 117 V HN 0.624 nan 8.190 nan 0.000 0.431 118 M N 4.155 123.836 119.600 0.135 0.000 2.088 118 M HA 0.412 4.892 4.480 -0.001 0.000 0.346 118 M C -0.850 175.546 176.300 0.161 0.000 1.111 118 M CA -0.217 55.139 55.300 0.093 0.000 1.017 118 M CB 1.048 33.690 32.600 0.070 0.000 1.568 118 M HN 0.605 nan 8.290 nan 0.000 0.445 119 D N 4.787 125.261 120.400 0.125 0.000 2.464 119 D HA 0.328 4.968 4.640 -0.001 0.000 0.243 119 D C -0.435 175.948 176.300 0.139 0.000 1.104 119 D CA -0.255 53.830 54.000 0.141 0.000 0.883 119 D CB 0.666 41.542 40.800 0.126 0.000 1.050 119 D HN 0.616 nan 8.370 nan 0.000 0.524 120 L N 4.141 125.473 121.223 0.181 0.000 2.928 120 L HA 0.173 4.513 4.340 -0.001 0.000 0.246 120 L C 2.255 179.277 176.870 0.253 0.000 1.239 120 L CA -0.334 54.651 54.840 0.242 0.000 1.035 120 L CB 0.063 42.322 42.059 0.333 0.000 1.360 120 L HN 0.347 nan 8.230 nan 0.000 0.529 121 K N -0.370 120.124 120.400 0.157 0.000 2.097 121 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 121 K C 0.670 177.350 176.600 0.132 0.000 1.049 121 K CA 1.805 58.159 56.287 0.112 0.000 0.933 121 K CB -0.225 32.312 32.500 0.062 0.000 0.717 121 K HN 0.402 nan 8.250 nan 0.000 0.442 122 N N -0.081 118.716 118.700 0.161 0.000 2.235 122 N HA 0.075 4.814 4.740 -0.001 0.000 0.209 122 N C -0.961 174.674 175.510 0.208 0.000 1.122 122 N CA -0.506 52.630 53.050 0.144 0.000 0.845 122 N CB 0.209 38.765 38.487 0.115 0.000 1.004 122 N HN 0.084 nan 8.380 nan 0.000 0.499 123 F N 1.563 121.567 119.950 0.089 0.000 2.404 123 F HA 0.477 5.004 4.527 -0.000 0.000 0.358 123 F C 0.879 176.736 175.800 0.096 0.000 1.120 123 F CA -1.278 56.777 58.000 0.092 0.000 1.144 123 F CB 0.696 39.757 39.000 0.101 0.000 1.133 123 F HN -0.073 nan 8.300 nan 0.000 0.495 124 A N 4.317 126.898 122.820 -0.399 0.000 2.195 124 A HA 0.595 4.914 4.320 -0.001 0.000 0.210 124 A C 1.078 178.319 177.584 -0.572 0.000 1.165 124 A CA 0.644 52.458 52.037 -0.372 0.000 0.806 124 A CB -1.006 17.913 19.000 -0.135 0.000 0.847 124 A HN 1.641 nan 8.150 nan 0.000 0.482 125 G N -3.128 104.998 108.800 -1.123 0.000 2.371 125 G HA2 0.515 4.475 3.960 -0.001 0.000 0.663 125 G HA3 0.515 4.475 3.960 -0.001 0.000 0.663 125 G C -0.259 174.551 174.900 -0.149 0.000 1.311 125 G CA -0.359 44.324 45.100 -0.696 0.000 0.985 125 G HN 1.543 nan 8.290 nan 0.000 0.566 126 G N -0.891 107.931 108.800 0.035 0.000 2.660 126 G HA2 0.773 4.732 3.960 -0.001 0.000 0.290 126 G HA3 0.773 4.732 3.960 -0.001 0.000 0.290 126 G C -0.702 174.219 174.900 0.035 0.000 1.432 126 G CA 0.498 45.652 45.100 0.090 0.000 0.807 126 G HN 1.467 nan 8.290 nan 0.000 0.485 127 D N -0.707 119.702 120.400 0.016 0.000 2.368 127 D HA 0.140 4.779 4.640 -0.001 0.000 0.240 127 D C 1.327 177.619 176.300 -0.015 0.000 1.169 127 D CA -0.312 53.682 54.000 -0.011 0.000 0.906 127 D CB 1.257 42.051 40.800 -0.009 0.000 1.187 127 D HN 0.483 nan 8.370 nan 0.000 0.435 128 Q N 0.756 120.535 119.800 -0.035 0.000 2.077 128 Q HA -0.147 4.193 4.340 -0.001 0.000 0.206 128 Q C -0.753 175.255 176.000 0.012 0.000 0.989 128 Q CA 1.767 57.531 55.803 -0.065 0.000 0.853 128 Q CB -0.839 27.914 28.738 0.025 0.000 0.907 128 Q HN 0.505 nan 8.270 nan 0.000 0.418 129 P HA -0.110 nan 4.420 nan 0.000 0.218 129 P C 0.908 178.252 177.300 0.074 0.000 1.148 129 P CA 1.629 64.771 63.100 0.070 0.000 0.822 129 P CB 0.046 31.777 31.700 0.053 0.000 0.784 130 S N -1.294 114.436 115.700 0.051 0.000 2.387 130 S HA -0.027 4.442 4.470 -0.001 0.000 0.226 130 S C 1.875 176.526 174.600 0.084 0.000 1.026 130 S CA 1.114 59.346 58.200 0.053 0.000 0.972 130 S CB -0.795 62.413 63.200 0.013 0.000 0.814 130 S HN 0.155 nan 8.310 nan 0.000 0.477 131 M N 1.169 120.826 119.600 0.095 0.000 2.254 131 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 131 M C 2.505 178.944 176.300 0.231 0.000 1.066 131 M CA 1.106 56.503 55.300 0.161 0.000 1.123 131 M CB -0.336 32.375 32.600 0.185 0.000 1.388 131 M HN 0.356 nan 8.290 nan 0.000 0.425 132 Q N -0.294 119.674 119.800 0.280 0.000 2.119 132 Q HA -0.225 4.114 4.340 -0.001 0.000 0.201 132 Q C 1.961 178.019 176.000 0.097 0.000 0.972 132 Q CA 1.497 57.469 55.803 0.282 0.000 0.847 132 Q CB -0.111 28.820 28.738 0.322 0.000 0.903 132 Q HN 0.479 nan 8.270 nan 0.000 0.433 133 Y N 0.790 121.067 120.300 -0.038 0.000 2.181 133 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 133 Y C 1.757 177.560 175.900 -0.161 0.000 1.146 133 Y CA 1.369 59.425 58.100 -0.075 0.000 1.164 133 Y CB -0.290 38.133 38.460 -0.062 0.000 0.982 133 Y HN 0.137 nan 8.280 nan 0.000 0.515 134 I N -0.512 119.930 120.570 -0.213 0.000 2.226 134 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 134 I C 2.681 178.508 176.117 -0.483 0.000 1.100 134 I CA 1.340 62.424 61.300 -0.360 0.000 1.374 134 I CB -0.997 36.828 38.000 -0.293 0.000 1.057 134 I HN 0.291 nan 8.210 nan 0.000 0.413 135 G N 0.794 109.146 108.800 -0.747 0.000 2.553 135 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.218 135 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.218 135 G C 1.659 176.102 174.900 -0.762 0.000 1.195 135 G CA 1.238 45.384 45.100 -1.591 0.000 0.779 135 G HN 0.313 nan 8.290 nan 0.000 0.577 136 K N 0.601 120.780 120.400 -0.368 0.000 2.077 136 K HA -0.177 4.143 4.320 -0.001 0.000 0.213 136 K C 2.774 179.312 176.600 -0.103 0.000 1.051 136 K CA 1.718 57.945 56.287 -0.100 0.000 0.929 136 K CB -0.442 32.086 32.500 0.047 0.000 0.715 136 K HN 0.243 nan 8.250 nan 0.000 0.451 137 A N 0.729 123.436 122.820 -0.188 0.000 1.978 137 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 137 A C 1.973 179.514 177.584 -0.072 0.000 1.170 137 A CA 1.216 53.168 52.037 -0.142 0.000 0.636 137 A CB -0.370 18.491 19.000 -0.231 0.000 0.810 137 A HN 0.292 nan 8.150 nan 0.000 0.448 138 L N -0.351 120.785 121.223 -0.145 0.000 2.095 138 L HA -0.036 4.303 4.340 -0.001 0.000 0.204 138 L C 2.292 179.200 176.870 0.063 0.000 1.080 138 L CA 1.744 56.540 54.840 -0.073 0.000 0.759 138 L CB -0.936 41.022 42.059 -0.170 0.000 0.914 138 L HN 0.366 nan 8.230 nan 0.000 0.439 139 K N -0.236 120.192 120.400 0.046 0.000 2.032 139 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 139 K C 1.903 178.547 176.600 0.074 0.000 1.048 139 K CA 1.637 57.974 56.287 0.083 0.000 0.927 139 K CB -0.149 32.410 32.500 0.099 0.000 0.712 139 K HN 0.374 nan 8.250 nan 0.000 0.441 140 E N 0.105 120.343 120.200 0.063 0.000 2.118 140 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 140 E C 1.806 178.450 176.600 0.073 0.000 0.992 140 E CA 1.232 57.666 56.400 0.057 0.000 0.804 140 E CB -0.188 29.544 29.700 0.053 0.000 0.741 140 E HN 0.244 nan 8.360 nan 0.000 0.458 141 F N 1.518 121.448 119.950 -0.033 0.000 2.113 141 F HA -0.120 4.407 4.527 -0.001 0.000 0.297 141 F C 2.222 178.006 175.800 -0.027 0.000 1.103 141 F CA 1.450 59.432 58.000 -0.030 0.000 1.248 141 F CB 0.077 39.051 39.000 -0.043 0.000 0.999 141 F HN -0.217 nan 8.300 nan 0.000 0.475 142 R N 0.195 120.813 120.500 0.197 0.000 2.081 142 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 142 R C 1.691 177.969 176.300 -0.036 0.000 1.131 142 R CA 1.607 57.750 56.100 0.071 0.000 0.960 142 R CB -0.643 29.699 30.300 0.070 0.000 0.856 142 R HN 0.278 nan 8.270 nan 0.000 0.436 143 D N 0.095 120.481 120.400 -0.024 0.000 2.263 143 D HA -0.109 4.531 4.640 -0.001 0.000 0.208 143 D C 1.742 177.999 176.300 -0.072 0.000 0.971 143 D CA 1.461 55.439 54.000 -0.037 0.000 0.867 143 D CB -0.143 40.649 40.800 -0.013 0.000 0.929 143 D HN 0.249 nan 8.370 nan 0.000 0.492 144 S N -0.802 114.821 115.700 -0.128 0.000 2.561 144 S HA 0.156 4.625 4.470 -0.001 0.000 0.225 144 S C 1.710 176.210 174.600 -0.166 0.000 0.977 144 S CA 0.615 58.716 58.200 -0.164 0.000 0.926 144 S CB -0.025 63.032 63.200 -0.239 0.000 0.769 144 S HN 0.300 nan 8.310 nan 0.000 0.533 145 G N 0.722 109.432 108.800 -0.150 0.000 2.142 145 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.225 145 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.225 145 G C -0.262 174.558 174.900 -0.132 0.000 1.015 145 G CA -0.017 45.014 45.100 -0.115 0.000 0.716 145 G HN 0.587 nan 8.290 nan 0.000 0.508 146 K N 1.248 121.515 120.400 -0.221 0.000 2.159 146 K HA 0.515 4.834 4.320 -0.001 0.000 0.266 146 K C -2.274 174.364 176.600 0.063 0.000 0.975 146 K CA -2.007 54.192 56.287 -0.146 0.000 0.865 146 K CB 2.314 34.525 32.500 -0.482 0.000 1.087 146 K HN 0.078 nan 8.250 nan 0.000 0.446 147 P HA 0.083 nan 4.420 nan 0.000 0.275 147 P C -0.740 176.604 177.300 0.072 0.000 1.228 147 P CA -0.378 62.690 63.100 -0.055 0.000 0.786 147 P CB 0.931 32.474 31.700 -0.261 0.000 0.927 148 V N 4.191 124.025 119.914 -0.133 0.000 2.444 148 V HA 0.303 4.422 4.120 -0.001 0.000 0.294 148 V C -0.573 175.366 176.094 -0.258 0.000 1.022 148 V CA -0.426 61.817 62.300 -0.096 0.000 0.850 148 V CB 0.664 32.459 31.823 -0.047 0.000 0.992 148 V HN 0.403 nan 8.190 nan 0.000 0.426 149 Y N 2.433 122.813 120.300 0.133 0.000 2.420 149 Y HA 0.788 5.337 4.550 -0.001 0.000 0.334 149 Y C 0.416 176.412 175.900 0.160 0.000 1.094 149 Y CA -0.764 57.425 58.100 0.148 0.000 1.126 149 Y CB 2.013 40.670 38.460 0.328 0.000 1.217 149 Y HN 0.662 nan 8.280 nan 0.000 0.462 150 A N 2.344 125.361 122.820 0.328 0.000 2.330 150 A HA 0.770 5.089 4.320 -0.001 0.000 0.313 150 A C -1.015 176.878 177.584 0.514 0.000 1.124 150 A CA -0.687 51.556 52.037 0.343 0.000 0.774 150 A CB 0.503 19.633 19.000 0.216 0.000 1.198 150 A HN 0.738 nan 8.150 nan 0.000 0.465 151 V N 0.097 120.299 119.914 0.480 0.000 2.815 151 V HA 1.063 5.182 4.120 -0.001 0.000 0.314 151 V C 0.084 176.337 176.094 0.265 0.000 1.064 151 V CA 0.037 62.597 62.300 0.433 0.000 0.952 151 V CB 1.342 33.330 31.823 0.274 0.000 1.020 151 V HN 2.068 nan 8.190 nan 0.000 0.439 152 G N 1.994 110.868 108.800 0.123 0.000 2.377 152 G HA2 0.399 4.359 3.960 -0.001 0.000 0.297 152 G HA3 0.399 4.359 3.960 -0.001 0.000 0.297 152 G C -0.315 174.517 174.900 -0.114 0.000 1.547 152 G CA -0.047 44.976 45.100 -0.129 0.000 0.833 152 G HN 0.683 nan 8.290 nan 0.000 0.583 153 E N 0.044 120.184 120.200 -0.100 0.000 2.208 153 E HA 0.009 4.359 4.350 -0.001 0.000 0.193 153 E C 0.529 177.088 176.600 -0.069 0.000 0.988 153 E CA 0.829 57.203 56.400 -0.044 0.000 0.828 153 E CB 0.239 29.928 29.700 -0.018 0.000 0.763 153 E HN 0.435 nan 8.360 nan 0.000 0.478 154 N N -0.612 117.971 118.700 -0.194 0.000 2.591 154 N HA 0.272 5.012 4.740 -0.001 0.000 0.263 154 N C -1.513 173.803 175.510 -0.323 0.000 1.308 154 N CA -0.483 52.491 53.050 -0.128 0.000 0.837 154 N CB 1.659 40.139 38.487 -0.011 0.000 1.548 154 N HN -0.120 nan 8.380 nan 0.000 0.493 155 Y N 0.334 120.745 120.300 0.184 0.000 2.346 155 Y HA 0.250 4.799 4.550 -0.001 0.000 0.332 155 Y C 0.799 176.833 175.900 0.223 0.000 0.985 155 Y CA -0.764 57.480 58.100 0.241 0.000 1.112 155 Y CB 1.503 40.170 38.460 0.346 0.000 1.170 155 Y HN 0.448 nan 8.280 nan 0.000 0.447 156 S N 1.121 117.030 115.700 0.349 0.000 2.589 156 S HA -0.001 4.468 4.470 -0.001 0.000 0.265 156 S C 1.231 176.071 174.600 0.401 0.000 1.342 156 S CA -0.450 57.938 58.200 0.313 0.000 1.005 156 S CB 1.173 64.510 63.200 0.228 0.000 0.909 156 S HN 0.913 nan 8.310 nan 0.000 0.555 157 Q N 1.315 121.327 119.800 0.353 0.000 2.112 157 Q HA -0.110 4.229 4.340 -0.001 0.000 0.206 157 Q C 2.101 178.408 176.000 0.512 0.000 0.987 157 Q CA 1.896 57.914 55.803 0.358 0.000 0.858 157 Q CB -1.107 27.669 28.738 0.064 0.000 0.905 157 Q HN 0.990 nan 8.270 nan 0.000 0.420 158 G N -0.071 108.963 108.800 0.390 0.000 2.402 158 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.216 158 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.216 158 G C 1.174 176.383 174.900 0.514 0.000 1.162 158 G CA 0.793 46.126 45.100 0.388 0.000 0.777 158 G HN 0.393 nan 8.290 nan 0.000 0.539 159 Q N -1.142 118.962 119.800 0.506 0.000 2.119 159 Q HA -0.068 4.272 4.340 -0.001 0.000 0.201 159 Q C 2.193 178.528 176.000 0.558 0.000 0.972 159 Q CA 1.108 57.288 55.803 0.628 0.000 0.847 159 Q CB -0.266 28.844 28.738 0.619 0.000 0.903 159 Q HN 0.609 nan 8.270 nan 0.000 0.433 160 Y N -0.259 120.284 120.300 0.406 0.000 2.242 160 Y HA -0.295 4.255 4.550 -0.001 0.000 0.291 160 Y C 1.997 177.988 175.900 0.150 0.000 1.137 160 Y CA 1.317 59.521 58.100 0.173 0.000 1.181 160 Y CB -0.319 38.259 38.460 0.197 0.000 0.989 160 Y HN 0.172 nan 8.280 nan 0.000 0.527 161 Y N 0.068 120.462 120.300 0.157 0.000 2.053 161 Y HA -0.331 4.218 4.550 -0.001 0.000 0.277 161 Y C 2.336 178.248 175.900 0.021 0.000 1.159 161 Y CA 2.251 60.330 58.100 -0.034 0.000 1.125 161 Y CB -0.745 37.811 38.460 0.159 0.000 0.969 161 Y HN 0.145 nan 8.280 nan 0.000 0.492 162 L N -0.407 121.043 121.223 0.379 0.000 2.017 162 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 162 L C 2.696 179.629 176.870 0.104 0.000 1.073 162 L CA 1.394 56.396 54.840 0.270 0.000 0.745 162 L CB -0.987 41.180 42.059 0.180 0.000 0.894 162 L HN 0.442 nan 8.230 nan 0.000 0.432 163 A N -0.279 122.534 122.820 -0.012 0.000 2.024 163 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 163 A C 2.413 179.797 177.584 -0.332 0.000 1.164 163 A CA 1.773 53.731 52.037 -0.132 0.000 0.643 163 A CB -0.593 18.283 19.000 -0.207 0.000 0.806 163 A HN 0.590 nan 8.150 nan 0.000 0.451 164 S N -1.036 114.321 115.700 -0.573 0.000 2.474 164 S HA -0.072 4.397 4.470 -0.001 0.000 0.235 164 S C 1.296 175.555 174.600 -0.567 0.000 0.997 164 S CA 0.951 58.702 58.200 -0.749 0.000 0.949 164 S CB -0.803 61.792 63.200 -1.009 0.000 0.766 164 S HN 0.431 nan 8.310 nan 0.000 0.517 165 F N 2.336 122.073 119.950 -0.356 0.000 2.811 165 F HA 0.458 4.984 4.527 -0.001 0.000 0.301 165 F C 1.454 177.136 175.800 -0.196 0.000 1.151 165 F CA -0.011 57.835 58.000 -0.255 0.000 1.412 165 F CB -0.398 38.471 39.000 -0.219 0.000 1.113 165 F HN 0.251 nan 8.300 nan 0.000 0.579 166 A N 0.411 123.186 122.820 -0.075 0.000 2.354 166 A HA 0.161 4.480 4.320 -0.001 0.000 0.269 166 A C 1.365 178.870 177.584 -0.133 0.000 1.109 166 A CA -0.501 51.484 52.037 -0.086 0.000 0.800 166 A CB 0.229 19.188 19.000 -0.068 0.000 1.045 166 A HN 0.240 nan 8.150 nan 0.000 0.489 167 N N 0.474 119.086 118.700 -0.147 0.000 2.096 167 N HA -0.169 4.571 4.740 -0.001 0.000 0.195 167 N C 0.458 175.847 175.510 -0.202 0.000 1.017 167 N CA 1.948 54.888 53.050 -0.183 0.000 0.870 167 N CB -0.068 38.265 38.487 -0.256 0.000 1.024 167 N HN 0.757 nan 8.380 nan 0.000 0.434 168 K N 0.087 120.354 120.400 -0.221 0.000 2.553 168 K HA 0.394 4.714 4.320 -0.001 0.000 0.250 168 K C -1.727 174.758 176.600 -0.192 0.000 0.953 168 K CA -0.346 55.792 56.287 -0.250 0.000 0.800 168 K CB 1.298 33.605 32.500 -0.321 0.000 1.243 168 K HN -0.142 nan 8.250 nan 0.000 0.435 169 I N 3.906 124.363 120.570 -0.189 0.000 2.382 169 I HA 0.370 4.540 4.170 -0.001 0.000 0.286 169 I C -0.634 175.504 176.117 0.035 0.000 1.002 169 I CA -0.764 60.518 61.300 -0.029 0.000 1.135 169 I CB 0.988 38.964 38.000 -0.039 0.000 1.288 169 I HN 0.443 nan 8.210 nan 0.000 0.448 170 W N 7.189 128.629 121.300 0.234 0.000 2.391 170 W HA 0.453 5.112 4.660 -0.001 0.000 0.311 170 W C -0.833 175.861 176.519 0.292 0.000 1.087 170 W CA -0.713 56.761 57.345 0.215 0.000 1.209 170 W CB 1.808 31.368 29.460 0.167 0.000 1.273 170 W HN 0.185 nan 8.180 nan 0.000 0.482 171 L N 3.301 124.819 121.223 0.491 0.000 2.346 171 L HA 0.412 4.751 4.340 -0.001 0.000 0.274 171 L C 0.495 177.510 176.870 0.242 0.000 1.007 171 L CA -0.336 54.726 54.840 0.371 0.000 0.818 171 L CB 1.778 44.043 42.059 0.343 0.000 1.284 171 L HN 0.311 nan 8.230 nan 0.000 0.424 172 S N 4.207 120.001 115.700 0.156 0.000 2.558 172 S HA 0.178 4.647 4.470 -0.001 0.000 0.287 172 S C -1.769 172.897 174.600 0.111 0.000 1.321 172 S CA -0.334 57.928 58.200 0.103 0.000 1.048 172 S CB 0.516 63.754 63.200 0.063 0.000 0.844 172 S HN 0.644 nan 8.310 nan 0.000 0.512 173 P HA 0.102 nan 4.420 nan 0.000 0.241 173 P C 0.409 177.752 177.300 0.073 0.000 1.191 173 P CA 0.532 63.683 63.100 0.084 0.000 0.771 173 P CB 0.168 31.910 31.700 0.069 0.000 0.929 174 Q N -0.937 118.902 119.800 0.065 0.000 2.194 174 Q HA 0.284 4.623 4.340 -0.001 0.000 0.214 174 Q C 0.978 177.016 176.000 0.063 0.000 0.838 174 Q CA -0.046 55.791 55.803 0.057 0.000 0.972 174 Q CB 0.459 29.222 28.738 0.042 0.000 1.131 174 Q HN 0.109 nan 8.270 nan 0.000 0.498 175 G N 0.083 108.931 108.800 0.080 0.000 2.562 175 G HA2 0.408 4.368 3.960 -0.001 0.000 0.275 175 G HA3 0.408 4.368 3.960 -0.001 0.000 0.275 175 G C -0.868 174.099 174.900 0.112 0.000 1.196 175 G CA -0.241 44.911 45.100 0.087 0.000 0.908 175 G HN 0.082 nan 8.290 nan 0.000 0.524 176 V N 0.179 120.164 119.914 0.119 0.000 2.680 176 V HA 0.560 4.679 4.120 -0.001 0.000 0.309 176 V C -0.533 175.675 176.094 0.190 0.000 1.052 176 V CA -0.702 61.680 62.300 0.138 0.000 0.908 176 V CB 2.134 34.019 31.823 0.103 0.000 1.001 176 V HN 0.508 nan 8.190 nan 0.000 0.431 177 V N 5.358 125.379 119.914 0.179 0.000 2.334 177 V HA 0.327 4.446 4.120 -0.001 0.000 0.267 177 V C -0.068 176.105 176.094 0.130 0.000 1.040 177 V CA -0.385 61.993 62.300 0.129 0.000 0.866 177 V CB 1.179 32.937 31.823 -0.107 0.000 1.019 177 V HN 0.931 nan 8.190 nan 0.000 0.468 178 D N 5.274 125.787 120.400 0.187 0.000 2.563 178 D HA 0.270 4.910 4.640 -0.001 0.000 0.222 178 D C -0.614 175.859 176.300 0.288 0.000 1.145 178 D CA -0.243 53.897 54.000 0.233 0.000 1.001 178 D CB 0.288 41.226 40.800 0.231 0.000 1.049 178 D HN 0.169 nan 8.370 nan 0.000 0.515 179 L N 3.381 124.741 121.223 0.228 0.000 2.282 179 L HA 0.354 4.693 4.340 -0.001 0.000 0.288 179 L C 0.587 177.482 176.870 0.042 0.000 1.033 179 L CA -0.300 54.601 54.840 0.101 0.000 0.807 179 L CB 1.151 43.359 42.059 0.248 0.000 1.209 179 L HN 0.501 nan 8.230 nan 0.000 0.423 180 H N 0.558 119.439 119.070 -0.315 0.000 3.854 180 H HA 0.613 5.168 4.556 -0.000 0.000 0.264 180 H C 0.511 175.359 175.328 -0.801 0.000 1.170 180 H CA -0.123 55.706 56.048 -0.365 0.000 1.167 180 H CB 0.262 29.942 29.762 -0.138 0.000 1.558 180 H HN 0.720 nan 8.280 nan 0.000 0.751 181 G N 0.311 108.144 108.800 -1.612 0.000 2.549 181 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.404 181 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.404 181 G C -1.355 172.831 174.900 -1.188 0.000 1.292 181 G CA -0.570 43.198 45.100 -2.219 0.000 0.935 181 G HN 0.148 nan 8.290 nan 0.000 0.512 182 F N 0.603 119.970 119.950 -0.973 0.000 2.538 182 F HA 0.916 5.443 4.527 -0.001 0.000 0.325 182 F C 0.840 176.460 175.800 -0.299 0.000 1.066 182 F CA -0.828 56.917 58.000 -0.426 0.000 0.946 182 F CB 1.982 40.849 39.000 -0.221 0.000 1.199 182 F HN 1.382 nan 8.300 nan 0.000 0.473 183 A N 0.919 123.756 122.820 0.029 0.000 2.574 183 A HA 0.684 5.003 4.320 -0.001 0.000 0.297 183 A C -1.030 176.539 177.584 -0.025 0.000 1.062 183 A CA -0.585 51.431 52.037 -0.036 0.000 0.686 183 A CB 1.796 20.772 19.000 -0.040 0.000 1.285 183 A HN 0.614 nan 8.150 nan 0.000 0.403 184 T N 1.342 115.871 114.554 -0.043 0.000 2.918 184 T HA 0.668 5.017 4.350 -0.001 0.000 0.286 184 T C -0.743 173.960 174.700 0.005 0.000 1.026 184 T CA -0.582 61.520 62.100 0.004 0.000 1.031 184 T CB 0.688 69.549 68.868 -0.012 0.000 1.046 184 T HN 0.710 nan 8.240 nan 0.000 0.479 185 N N 1.330 120.047 118.700 0.027 0.000 2.452 185 N HA 0.518 5.258 4.740 -0.001 0.000 0.277 185 N C -1.310 174.215 175.510 0.025 0.000 1.078 185 N CA -0.497 52.567 53.050 0.024 0.000 0.947 185 N CB 1.902 40.389 38.487 0.000 0.000 1.655 185 N HN 0.828 nan 8.380 nan 0.000 0.490 186 G N 1.989 110.821 108.800 0.052 0.000 2.690 186 G HA2 0.532 4.491 3.960 -0.001 0.000 0.293 186 G HA3 0.532 4.491 3.960 -0.001 0.000 0.293 186 G C -1.203 173.651 174.900 -0.077 0.000 1.399 186 G CA -0.559 44.514 45.100 -0.044 0.000 0.890 186 G HN 0.405 nan 8.290 nan 0.000 0.485 187 L N 0.025 121.075 121.223 -0.289 0.000 2.357 187 L HA 0.546 4.885 4.340 -0.001 0.000 0.273 187 L C -0.980 175.430 176.870 -0.768 0.000 1.080 187 L CA -0.798 53.775 54.840 -0.444 0.000 0.803 187 L CB 1.287 43.000 42.059 -0.576 0.000 1.174 187 L HN 0.467 nan 8.230 nan 0.000 0.443 188 Y N 0.819 120.739 120.300 -0.633 0.000 2.373 188 Y HA 0.301 4.850 4.550 -0.001 0.000 0.336 188 Y C -0.450 175.153 175.900 -0.496 0.000 0.979 188 Y CA -0.542 57.289 58.100 -0.448 0.000 1.080 188 Y CB 1.375 39.698 38.460 -0.229 0.000 1.190 188 Y HN 0.339 nan 8.280 nan 0.000 0.446 189 Y N 0.484 120.753 120.300 -0.051 0.000 2.588 189 Y HA 0.204 4.752 4.550 -0.002 0.000 0.247 189 Y C 1.947 177.834 175.900 -0.023 0.000 1.157 189 Y CA -0.577 57.486 58.100 -0.062 0.000 1.215 189 Y CB 0.491 38.869 38.460 -0.137 0.000 1.245 189 Y HN 0.547 nan 8.280 nan 0.000 0.534 190 K N 0.529 121.012 120.400 0.138 0.000 2.052 190 K HA -0.260 4.059 4.320 -0.001 0.000 0.215 190 K C 2.169 178.814 176.600 0.075 0.000 1.053 190 K CA 1.979 58.328 56.287 0.102 0.000 0.934 190 K CB -0.272 32.272 32.500 0.073 0.000 0.717 190 K HN 0.242 nan 8.250 nan 0.000 0.450 191 S N 0.580 116.314 115.700 0.056 0.000 2.399 191 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 191 S C 1.763 176.392 174.600 0.047 0.000 1.022 191 S CA 1.074 59.296 58.200 0.036 0.000 0.983 191 S CB -0.187 63.023 63.200 0.017 0.000 0.803 191 S HN 0.365 nan 8.310 nan 0.000 0.480 192 L N 1.247 122.516 121.223 0.077 0.000 2.156 192 L HA 0.170 4.509 4.340 -0.001 0.000 0.208 192 L C 1.838 178.747 176.870 0.066 0.000 1.095 192 L CA 1.454 56.343 54.840 0.083 0.000 0.770 192 L CB -0.455 41.690 42.059 0.144 0.000 0.914 192 L HN 0.313 nan 8.230 nan 0.000 0.439 193 L N -0.809 120.459 121.223 0.076 0.000 2.056 193 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 193 L C 2.158 179.048 176.870 0.034 0.000 1.078 193 L CA 1.073 55.946 54.840 0.055 0.000 0.749 193 L CB -0.858 41.248 42.059 0.079 0.000 0.901 193 L HN 0.220 nan 8.230 nan 0.000 0.433 194 D N 0.516 120.935 120.400 0.032 0.000 2.123 194 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 194 D C 2.172 178.480 176.300 0.014 0.000 0.992 194 D CA 1.294 55.304 54.000 0.017 0.000 0.833 194 D CB -0.077 40.732 40.800 0.014 0.000 0.954 194 D HN 0.272 nan 8.370 nan 0.000 0.455 195 K N -0.081 120.330 120.400 0.018 0.000 2.155 195 K HA 0.064 4.384 4.320 -0.001 0.000 0.203 195 K C 1.997 178.604 176.600 0.011 0.000 1.052 195 K CA 0.445 56.740 56.287 0.014 0.000 0.948 195 K CB 0.055 32.565 32.500 0.016 0.000 0.728 195 K HN 0.145 nan 8.250 nan 0.000 0.448 196 L N 0.574 121.805 121.223 0.013 0.000 2.554 196 L HA 0.041 4.381 4.340 -0.001 0.000 0.226 196 L C 0.168 177.040 176.870 0.003 0.000 1.137 196 L CA 0.331 55.175 54.840 0.007 0.000 0.863 196 L CB -0.196 41.868 42.059 0.007 0.000 0.985 196 L HN 0.147 nan 8.230 nan 0.000 0.451 197 K N -0.910 119.493 120.400 0.005 0.000 3.230 197 K HA -0.145 4.174 4.320 -0.001 0.000 0.285 197 K C -0.091 176.511 176.600 0.002 0.000 1.196 197 K CA -0.016 56.273 56.287 0.002 0.000 0.838 197 K CB -1.942 30.557 32.500 -0.001 0.000 1.262 197 K HN 0.049 nan 8.250 nan 0.000 0.492 198 V N 1.628 121.546 119.914 0.007 0.000 2.655 198 V HA 0.020 4.140 4.120 -0.001 0.000 0.300 198 V C 0.767 176.858 176.094 -0.005 0.000 1.044 198 V CA 0.166 62.472 62.300 0.009 0.000 1.095 198 V CB 1.645 33.481 31.823 0.022 0.000 0.952 198 V HN 0.219 nan 8.190 nan 0.000 0.485 199 S N 3.535 119.229 115.700 -0.010 0.000 2.457 199 S HA 0.463 4.933 4.470 -0.001 0.000 0.289 199 S C 0.068 174.586 174.600 -0.137 0.000 1.163 199 S CA -0.402 57.758 58.200 -0.068 0.000 1.078 199 S CB 1.029 64.232 63.200 0.004 0.000 0.987 199 S HN 0.850 nan 8.310 nan 0.000 0.482 200 T N 4.444 118.823 114.554 -0.291 0.000 2.807 200 T HA 0.433 4.783 4.350 -0.001 0.000 0.279 200 T C -0.928 173.424 174.700 -0.580 0.000 0.993 200 T CA -0.608 61.330 62.100 -0.271 0.000 0.970 200 T CB 0.599 69.414 68.868 -0.087 0.000 0.950 200 T HN 0.559 nan 8.240 nan 0.000 0.441 201 H N 1.560 120.556 119.070 -0.123 0.000 2.744 201 H HA 0.466 5.022 4.556 -0.001 0.000 0.339 201 H C -1.078 174.019 175.328 -0.385 0.000 1.004 201 H CA -0.526 55.359 56.048 -0.272 0.000 1.257 201 H CB 1.641 31.285 29.762 -0.195 0.000 1.552 201 H HN 0.265 nan 8.280 nan 0.000 0.522 202 V N 4.913 124.585 119.914 -0.404 0.000 2.384 202 V HA 0.279 4.399 4.120 -0.001 0.000 0.287 202 V C -0.505 175.279 176.094 -0.518 0.000 1.020 202 V CA -0.576 61.552 62.300 -0.287 0.000 0.850 202 V CB 0.590 32.339 31.823 -0.122 0.000 0.987 202 V HN 0.481 nan 8.190 nan 0.000 0.436 203 F N 4.606 124.604 119.950 0.080 0.000 2.444 203 F HA 0.819 5.346 4.527 -0.001 0.000 0.342 203 F C 0.223 176.091 175.800 0.113 0.000 1.121 203 F CA -0.579 57.465 58.000 0.073 0.000 0.997 203 F CB 1.522 40.550 39.000 0.046 0.000 1.130 203 F HN 0.439 nan 8.300 nan 0.000 0.454 204 R N 1.906 122.538 120.500 0.220 0.000 2.629 204 R HA 0.758 5.097 4.340 -0.001 0.000 0.266 204 R C -2.581 173.776 176.300 0.095 0.000 1.051 204 R CA -0.662 55.556 56.100 0.196 0.000 0.895 204 R CB 2.115 32.516 30.300 0.167 0.000 1.246 204 R HN 0.496 nan 8.270 nan 0.000 0.459 205 V N 2.386 122.336 119.914 0.060 0.000 2.407 205 V HA 0.843 4.962 4.120 -0.001 0.000 0.291 205 V C -0.087 175.899 176.094 -0.179 0.000 1.018 205 V CA 0.085 62.285 62.300 -0.167 0.000 0.842 205 V CB 1.465 33.061 31.823 -0.379 0.000 0.996 205 V HN 1.024 nan 8.190 nan 0.000 0.426 206 G N 2.592 111.294 108.800 -0.163 0.000 2.486 206 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.220 206 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.220 206 G C 0.170 175.043 174.900 -0.044 0.000 1.313 206 G CA -0.173 44.900 45.100 -0.046 0.000 1.187 206 G HN 0.626 nan 8.290 nan 0.000 0.599 207 T N 1.066 115.562 114.554 -0.097 0.000 2.760 207 T HA -0.221 4.128 4.350 -0.001 0.000 0.269 207 T C 1.497 175.934 174.700 -0.438 0.000 1.047 207 T CA 2.268 64.190 62.100 -0.296 0.000 1.139 207 T CB -0.144 68.455 68.868 -0.448 0.000 0.855 207 T HN 0.613 nan 8.240 nan 0.000 0.471 208 Y N -0.144 120.122 120.300 -0.057 0.000 2.555 208 Y HA 0.442 4.992 4.550 -0.001 0.000 0.259 208 Y C 0.996 176.830 175.900 -0.109 0.000 1.179 208 Y CA -0.803 57.225 58.100 -0.121 0.000 1.230 208 Y CB 0.326 38.643 38.460 -0.238 0.000 1.146 208 Y HN -0.123 nan 8.280 nan 0.000 0.526 209 K N 1.679 122.097 120.400 0.031 0.000 2.480 209 K HA 0.073 4.393 4.320 -0.001 0.000 0.241 209 K C 0.919 177.452 176.600 -0.112 0.000 1.261 209 K CA -0.029 56.257 56.287 -0.003 0.000 1.193 209 K CB -0.556 31.981 32.500 0.062 0.000 1.598 209 K HN 0.198 nan 8.250 nan 0.000 0.278 210 S N -0.344 115.306 115.700 -0.085 0.000 2.607 210 S HA -0.002 4.468 4.470 -0.001 0.000 0.224 210 S C 1.735 176.256 174.600 -0.131 0.000 0.969 210 S CA 0.307 58.460 58.200 -0.079 0.000 0.927 210 S CB 0.085 63.282 63.200 -0.005 0.000 0.772 210 S HN 0.378 nan 8.310 nan 0.000 0.533 211 A N 1.059 123.716 122.820 -0.271 0.000 2.125 211 A HA 0.104 4.424 4.320 -0.001 0.000 0.219 211 A C 2.093 179.500 177.584 -0.295 0.000 1.156 211 A CA 1.076 52.931 52.037 -0.303 0.000 0.671 211 A CB -0.729 18.036 19.000 -0.392 0.000 0.794 211 A HN 0.477 nan 8.150 nan 0.000 0.459 212 V N -0.032 119.672 119.914 -0.350 0.000 3.041 212 V HA -0.155 3.965 4.120 -0.001 0.000 0.260 212 V C 2.153 178.324 176.094 0.128 0.000 1.105 212 V CA 1.702 63.958 62.300 -0.073 0.000 1.125 212 V CB -0.504 31.244 31.823 -0.125 0.000 0.730 212 V HN 0.669 nan 8.190 nan 0.000 0.479 213 E N 0.490 120.717 120.200 0.045 0.000 2.110 213 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 213 E C -0.470 176.219 176.600 0.148 0.000 0.988 213 E CA 1.439 57.921 56.400 0.135 0.000 0.804 213 E CB -1.079 28.757 29.700 0.226 0.000 0.745 213 E HN 0.561 nan 8.360 nan 0.000 0.458 214 P HA -0.174 nan 4.420 nan 0.000 0.217 214 P C 0.748 177.967 177.300 -0.135 0.000 1.148 214 P CA 1.250 64.177 63.100 -0.289 0.000 0.828 214 P CB -0.131 31.241 31.700 -0.547 0.000 0.783 215 F N -1.230 118.766 119.950 0.076 0.000 2.558 215 F HA 0.073 4.600 4.527 -0.001 0.000 0.298 215 F C 1.802 177.630 175.800 0.048 0.000 1.119 215 F CA 0.648 58.687 58.000 0.065 0.000 1.451 215 F CB -0.631 38.384 39.000 0.025 0.000 1.091 215 F HN -0.085 nan 8.300 nan 0.000 0.563 216 I N -3.560 117.137 120.570 0.212 0.000 4.310 216 I HA 0.371 4.540 4.170 -0.001 0.000 0.328 216 I C 0.098 176.265 176.117 0.084 0.000 1.406 216 I CA -0.226 61.146 61.300 0.120 0.000 1.174 216 I CB 0.215 38.263 38.000 0.080 0.000 1.279 216 I HN -0.278 nan 8.210 nan 0.000 0.471 217 R N 0.565 121.135 120.500 0.118 0.000 2.836 217 R HA 0.427 4.767 4.340 -0.001 0.000 0.269 217 R C -0.645 175.704 176.300 0.083 0.000 1.010 217 R CA -0.786 55.357 56.100 0.072 0.000 0.930 217 R CB 1.518 31.849 30.300 0.051 0.000 1.218 217 R HN -0.064 nan 8.270 nan 0.000 0.473 218 D N 0.811 121.204 120.400 -0.012 0.000 2.342 218 D HA 0.055 4.694 4.640 -0.001 0.000 0.221 218 D C -0.534 175.647 176.300 -0.198 0.000 1.101 218 D CA 0.801 54.777 54.000 -0.040 0.000 0.837 218 D CB 0.353 41.125 40.800 -0.047 0.000 0.938 218 D HN 0.473 nan 8.370 nan 0.000 0.508 219 D N -0.674 119.485 120.400 -0.401 0.000 2.710 219 D HA 0.058 4.697 4.640 -0.001 0.000 0.276 219 D C -0.129 175.672 176.300 -0.832 0.000 1.267 219 D CA -0.723 52.857 54.000 -0.699 0.000 0.772 219 D CB 0.520 41.107 40.800 -0.354 0.000 1.299 219 D HN -0.108 nan 8.370 nan 0.000 0.421 220 M N 0.362 119.495 119.600 -0.777 0.000 2.242 220 M HA 0.449 4.928 4.480 -0.001 0.000 0.344 220 M C 0.226 176.404 176.300 -0.204 0.000 1.140 220 M CA -0.436 54.622 55.300 -0.403 0.000 1.160 220 M CB 1.004 33.470 32.600 -0.222 0.000 1.491 220 M HN 0.420 nan 8.290 nan 0.000 0.459 221 S N 1.829 117.465 115.700 -0.107 0.000 2.593 221 S HA 0.344 4.813 4.470 -0.001 0.000 0.269 221 S C -2.080 172.470 174.600 -0.083 0.000 1.334 221 S CA -1.035 57.110 58.200 -0.091 0.000 1.015 221 S CB 0.448 63.601 63.200 -0.079 0.000 0.912 221 S HN 0.661 nan 8.310 nan 0.000 0.541 222 P HA -0.019 nan 4.420 nan 0.000 0.218 222 P C 1.416 178.698 177.300 -0.030 0.000 1.148 222 P CA 1.677 64.746 63.100 -0.052 0.000 0.822 222 P CB -0.192 31.482 31.700 -0.044 0.000 0.784 223 A N 0.077 122.859 122.820 -0.063 0.000 1.872 223 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 223 A C 2.330 179.942 177.584 0.047 0.000 1.187 223 A CA 1.828 53.838 52.037 -0.044 0.000 0.614 223 A CB -1.550 17.220 19.000 -0.384 0.000 0.826 223 A HN 0.180 nan 8.150 nan 0.000 0.442 224 A N -0.248 122.561 122.820 -0.019 0.000 1.908 224 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 224 A C 2.252 179.830 177.584 -0.011 0.000 1.181 224 A CA 1.842 53.881 52.037 0.004 0.000 0.627 224 A CB -0.516 18.485 19.000 0.001 0.000 0.818 224 A HN 0.540 nan 8.150 nan 0.000 0.445 225 R N -0.738 119.743 120.500 -0.033 0.000 2.081 225 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 225 R C 1.927 178.196 176.300 -0.050 0.000 1.131 225 R CA 1.613 57.679 56.100 -0.057 0.000 0.960 225 R CB -0.122 30.140 30.300 -0.064 0.000 0.856 225 R HN 0.441 nan 8.270 nan 0.000 0.436 226 E N 0.124 120.323 120.200 -0.002 0.000 2.072 226 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 226 E C 1.840 178.444 176.600 0.006 0.000 0.982 226 E CA 1.192 57.605 56.400 0.023 0.000 0.803 226 E CB -0.302 29.446 29.700 0.080 0.000 0.755 226 E HN 0.420 nan 8.360 nan 0.000 0.453 227 A N 1.786 124.581 122.820 -0.041 0.000 1.877 227 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 227 A C 1.809 179.350 177.584 -0.072 0.000 1.186 227 A CA 1.949 53.888 52.037 -0.163 0.000 0.620 227 A CB -0.474 18.185 19.000 -0.568 0.000 0.822 227 A HN 0.079 nan 8.150 nan 0.000 0.443 228 D N -0.140 120.172 120.400 -0.147 0.000 2.117 228 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 228 D C 2.297 178.163 176.300 -0.723 0.000 0.982 228 D CA 1.470 55.158 54.000 -0.519 0.000 0.828 228 D CB -0.431 40.210 40.800 -0.266 0.000 0.967 228 D HN 0.375 nan 8.370 nan 0.000 0.464 229 S N 0.354 115.850 115.700 -0.340 0.000 2.370 229 S HA -0.193 4.277 4.470 -0.001 0.000 0.226 229 S C 1.843 176.350 174.600 -0.156 0.000 1.033 229 S CA 0.963 59.023 58.200 -0.234 0.000 1.011 229 S CB -0.004 63.130 63.200 -0.110 0.000 0.852 229 S HN 0.245 nan 8.310 nan 0.000 0.457 230 R N 0.909 121.367 120.500 -0.070 0.000 2.082 230 R HA -0.135 4.205 4.340 -0.001 0.000 0.228 230 R C 2.602 178.982 176.300 0.132 0.000 1.140 230 R CA 2.087 58.232 56.100 0.075 0.000 0.920 230 R CB -0.544 29.863 30.300 0.179 0.000 0.828 230 R HN 0.709 nan 8.270 nan 0.000 0.430 231 W N 0.561 121.931 121.300 0.116 0.000 2.317 231 W HA -0.242 4.417 4.660 -0.001 0.000 0.318 231 W C 1.758 178.371 176.519 0.156 0.000 1.227 231 W CA 0.858 58.280 57.345 0.129 0.000 1.269 231 W CB -1.141 28.376 29.460 0.095 0.000 1.155 231 W HN 0.223 nan 8.180 nan 0.000 0.484 232 I N 2.170 122.572 120.570 -0.280 0.000 2.286 232 I HA -0.159 4.011 4.170 -0.001 0.000 0.248 232 I C 2.773 178.995 176.117 0.176 0.000 1.115 232 I CA 2.183 63.418 61.300 -0.108 0.000 1.392 232 I CB -0.819 36.862 38.000 -0.531 0.000 1.065 232 I HN 0.085 nan 8.210 nan 0.000 0.418 233 G N -0.215 108.634 108.800 0.082 0.000 2.432 233 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.219 233 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.219 233 G C 1.518 176.561 174.900 0.240 0.000 1.135 233 G CA 0.493 45.689 45.100 0.159 0.000 0.767 233 G HN 0.406 nan 8.290 nan 0.000 0.550 234 E N -0.314 120.034 120.200 0.247 0.000 2.112 234 E HA 0.001 4.351 4.350 -0.001 0.000 0.190 234 E C 2.475 179.263 176.600 0.313 0.000 0.979 234 E CA 0.309 56.860 56.400 0.253 0.000 0.814 234 E CB -0.088 29.765 29.700 0.255 0.000 0.762 234 E HN 0.286 nan 8.360 nan 0.000 0.460 235 L N 0.466 121.952 121.223 0.439 0.000 2.201 235 L HA -0.119 4.221 4.340 -0.001 0.000 0.212 235 L C 1.975 179.232 176.870 0.645 0.000 1.105 235 L CA 1.265 56.430 54.840 0.542 0.000 0.775 235 L CB -0.521 41.906 42.059 0.612 0.000 0.913 235 L HN 0.346 nan 8.230 nan 0.000 0.440 236 W N -0.421 121.046 121.300 0.278 0.000 2.453 236 W HA -0.182 4.478 4.660 -0.000 0.000 0.289 236 W C 2.203 178.716 176.519 -0.010 0.000 1.215 236 W CA 0.744 57.983 57.345 -0.177 0.000 1.297 236 W CB 0.173 29.377 29.460 -0.428 0.000 1.113 236 W HN 0.197 nan 8.180 nan 0.000 0.551 237 Q N 1.136 120.941 119.800 0.009 0.000 2.170 237 Q HA -0.183 4.157 4.340 -0.001 0.000 0.203 237 Q C 1.637 177.602 176.000 -0.057 0.000 0.976 237 Q CA 2.202 57.956 55.803 -0.082 0.000 0.858 237 Q CB -0.752 28.012 28.738 0.043 0.000 0.907 237 Q HN 0.433 nan 8.270 nan 0.000 0.433 238 N N -1.528 117.215 118.700 0.071 0.000 2.331 238 N HA -0.142 4.598 4.740 -0.001 0.000 0.180 238 N C 1.203 176.775 175.510 0.103 0.000 1.019 238 N CA 0.729 53.842 53.050 0.105 0.000 0.881 238 N CB -0.174 38.424 38.487 0.185 0.000 0.972 238 N HN 0.248 nan 8.380 nan 0.000 0.435 239 Y N 2.061 122.332 120.300 -0.048 0.000 2.133 239 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 239 Y C 1.957 177.712 175.900 -0.241 0.000 1.134 239 Y CA 1.322 59.392 58.100 -0.050 0.000 1.133 239 Y CB -0.348 37.967 38.460 -0.243 0.000 0.987 239 Y HN -0.044 nan 8.280 nan 0.000 0.502 240 L N 0.166 121.204 121.223 -0.308 0.000 2.017 240 L HA -0.276 4.063 4.340 -0.001 0.000 0.208 240 L C 2.023 178.770 176.870 -0.206 0.000 1.073 240 L CA 2.096 56.749 54.840 -0.310 0.000 0.745 240 L CB -0.861 40.943 42.059 -0.424 0.000 0.894 240 L HN 0.366 nan 8.230 nan 0.000 0.432 241 N N -0.819 117.789 118.700 -0.153 0.000 2.058 241 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 241 N C 1.673 177.097 175.510 -0.144 0.000 1.037 241 N CA 1.816 54.801 53.050 -0.108 0.000 0.848 241 N CB -0.223 38.232 38.487 -0.053 0.000 1.021 241 N HN 0.265 nan 8.380 nan 0.000 0.422 242 T N 0.750 115.214 114.554 -0.149 0.000 2.635 242 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 242 T C 2.143 176.576 174.700 -0.446 0.000 1.040 242 T CA 1.116 63.070 62.100 -0.243 0.000 1.156 242 T CB -0.534 68.237 68.868 -0.162 0.000 0.863 242 T HN 0.002 nan 8.240 nan 0.000 0.430 243 V N 1.530 121.148 119.914 -0.494 0.000 2.358 243 V HA -0.142 3.977 4.120 -0.001 0.000 0.246 243 V C 2.883 178.781 176.094 -0.326 0.000 1.047 243 V CA 1.548 63.535 62.300 -0.523 0.000 1.035 243 V CB -1.282 30.284 31.823 -0.430 0.000 0.658 243 V HN 0.560 nan 8.190 nan 0.000 0.452 244 A N 0.253 122.942 122.820 -0.220 0.000 1.884 244 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 244 A C 2.440 179.923 177.584 -0.169 0.000 1.197 244 A CA 2.696 54.644 52.037 -0.148 0.000 0.637 244 A CB -1.034 17.900 19.000 -0.110 0.000 0.827 244 A HN 0.611 nan 8.150 nan 0.000 0.450 245 A N -0.324 122.382 122.820 -0.191 0.000 1.902 245 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 245 A C 1.899 179.350 177.584 -0.222 0.000 1.181 245 A CA 1.918 53.851 52.037 -0.174 0.000 0.623 245 A CB -0.703 18.206 19.000 -0.152 0.000 0.818 245 A HN 0.554 nan 8.150 nan 0.000 0.443 246 N N -0.442 118.049 118.700 -0.347 0.000 2.205 246 N HA -0.107 4.632 4.740 -0.001 0.000 0.186 246 N C 1.594 176.928 175.510 -0.295 0.000 1.015 246 N CA 1.061 53.861 53.050 -0.418 0.000 0.862 246 N CB -0.223 37.822 38.487 -0.737 0.000 0.986 246 N HN 0.296 nan 8.380 nan 0.000 0.429 247 R N 0.455 120.811 120.500 -0.241 0.000 2.308 247 R HA 0.191 4.530 4.340 -0.001 0.000 0.202 247 R C 0.010 176.237 176.300 -0.121 0.000 0.898 247 R CA 0.052 56.053 56.100 -0.165 0.000 1.046 247 R CB -0.027 30.203 30.300 -0.116 0.000 1.026 247 R HN 0.270 nan 8.270 nan 0.000 0.512 248 Q N 0.546 120.274 119.800 -0.121 0.000 2.493 248 Q HA -0.168 4.172 4.340 -0.001 0.000 0.278 248 Q C 0.015 175.971 176.000 -0.073 0.000 1.216 248 Q CA 1.147 56.895 55.803 -0.092 0.000 0.875 248 Q CB -2.533 26.155 28.738 -0.083 0.000 1.262 248 Q HN 0.512 nan 8.270 nan 0.000 0.468 249 I N -3.557 116.970 120.570 -0.072 0.000 2.892 249 I HA 0.750 4.920 4.170 -0.001 0.000 0.306 249 I C -2.372 173.716 176.117 -0.049 0.000 1.078 249 I CA -2.876 58.391 61.300 -0.055 0.000 1.032 249 I CB 2.174 40.144 38.000 -0.051 0.000 1.229 249 I HN -0.303 nan 8.210 nan 0.000 0.435 250 P HA 0.113 nan 4.420 nan 0.000 0.269 250 P C 0.540 177.827 177.300 -0.022 0.000 1.215 250 P CA -0.110 62.972 63.100 -0.030 0.000 0.780 250 P CB 0.923 32.611 31.700 -0.020 0.000 0.898 251 A N 1.980 124.786 122.820 -0.023 0.000 1.948 251 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 251 A C 2.056 179.657 177.584 0.028 0.000 1.177 251 A CA 2.045 54.071 52.037 -0.017 0.000 0.636 251 A CB -1.316 17.664 19.000 -0.034 0.000 0.815 251 A HN 0.719 nan 8.150 nan 0.000 0.449 252 E N -0.724 119.493 120.200 0.029 0.000 2.472 252 E HA -0.205 4.145 4.350 -0.001 0.000 0.200 252 E C 1.903 178.526 176.600 0.039 0.000 1.046 252 E CA 1.107 57.534 56.400 0.045 0.000 0.871 252 E CB -0.112 29.604 29.700 0.026 0.000 0.806 252 E HN 0.800 nan 8.360 nan 0.000 0.533 253 Q N -0.514 119.303 119.800 0.028 0.000 2.391 253 Q HA 0.008 4.347 4.340 -0.001 0.000 0.211 253 Q C 1.841 177.869 176.000 0.047 0.000 0.908 253 Q CA 0.304 56.116 55.803 0.014 0.000 0.920 253 Q CB 0.552 29.277 28.738 -0.021 0.000 1.056 253 Q HN 0.226 nan 8.270 nan 0.000 0.523 254 V N 0.447 120.410 119.914 0.082 0.000 2.295 254 V HA -0.108 4.012 4.120 -0.001 0.000 0.246 254 V C 0.563 176.834 176.094 0.295 0.000 1.049 254 V CA 1.424 63.810 62.300 0.144 0.000 1.024 254 V CB -0.181 31.715 31.823 0.121 0.000 0.648 254 V HN 0.360 nan 8.190 nan 0.000 0.447 255 F N 1.639 121.658 119.950 0.115 0.000 2.941 255 F HA 0.507 5.033 4.527 -0.001 0.000 0.359 255 F C -2.419 173.474 175.800 0.156 0.000 1.231 255 F CA -2.226 55.885 58.000 0.184 0.000 1.089 255 F CB 1.851 41.028 39.000 0.295 0.000 1.407 255 F HN -0.067 nan 8.300 nan 0.000 0.538 256 P HA 0.261 nan 4.420 nan 0.000 0.245 256 P C 0.474 177.561 177.300 -0.356 0.000 1.212 256 P CA 0.989 63.959 63.100 -0.217 0.000 0.774 256 P CB 0.104 31.737 31.700 -0.112 0.000 0.999 257 G N -0.111 108.159 108.800 -0.884 0.000 2.712 257 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.683 257 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.683 257 G C 0.779 175.366 174.900 -0.522 0.000 1.320 257 G CA -0.399 44.356 45.100 -0.575 0.000 0.847 257 G HN 0.203 nan 8.290 nan 0.000 0.553 258 A N -0.789 121.907 122.820 -0.208 0.000 1.873 258 A HA 0.046 4.366 4.320 -0.001 0.000 0.215 258 A C 2.344 179.858 177.584 -0.116 0.000 1.186 258 A CA 2.692 54.660 52.037 -0.116 0.000 0.616 258 A CB -0.643 18.347 19.000 -0.016 0.000 0.823 258 A HN 1.221 nan 8.150 nan 0.000 0.442 259 Q N -0.167 119.579 119.800 -0.090 0.000 1.998 259 Q HA -0.132 4.207 4.340 -0.001 0.000 0.209 259 Q C 2.057 178.008 176.000 -0.082 0.000 1.002 259 Q CA 2.482 58.242 55.803 -0.070 0.000 0.858 259 Q CB -1.194 27.515 28.738 -0.049 0.000 0.932 259 Q HN 0.541 nan 8.270 nan 0.000 0.416 260 G N 0.164 108.905 108.800 -0.098 0.000 2.450 260 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 260 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 260 G C 1.319 176.169 174.900 -0.082 0.000 1.130 260 G CA 1.003 46.056 45.100 -0.078 0.000 0.760 260 G HN 0.389 nan 8.290 nan 0.000 0.557 261 L N 0.187 121.307 121.223 -0.170 0.000 2.093 261 L HA 0.171 4.511 4.340 -0.001 0.000 0.208 261 L C 2.380 179.109 176.870 -0.235 0.000 1.085 261 L CA 1.188 55.885 54.840 -0.239 0.000 0.755 261 L CB -0.371 41.531 42.059 -0.261 0.000 0.904 261 L HN 0.168 nan 8.230 nan 0.000 0.435 262 L N -0.701 120.434 121.223 -0.147 0.000 2.093 262 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 262 L C 2.325 179.148 176.870 -0.078 0.000 1.085 262 L CA 1.683 56.458 54.840 -0.109 0.000 0.755 262 L CB -0.422 41.593 42.059 -0.074 0.000 0.904 262 L HN 0.448 nan 8.230 nan 0.000 0.435 263 E N -0.330 119.837 120.200 -0.054 0.000 2.031 263 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 263 E C 2.025 178.629 176.600 0.008 0.000 0.994 263 E CA 1.118 57.506 56.400 -0.019 0.000 0.800 263 E CB -0.381 29.313 29.700 -0.010 0.000 0.752 263 E HN 0.623 nan 8.360 nan 0.000 0.447 264 G N 1.350 110.172 108.800 0.038 0.000 2.476 264 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 264 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 264 G C 1.456 176.416 174.900 0.100 0.000 1.164 264 G CA 0.587 45.789 45.100 0.169 0.000 0.768 264 G HN 0.074 nan 8.290 nan 0.000 0.560 265 L N 0.818 121.979 121.223 -0.104 0.000 2.275 265 L HA 0.072 4.412 4.340 -0.001 0.000 0.215 265 L C 2.957 179.812 176.870 -0.026 0.000 1.119 265 L CA 1.574 56.349 54.840 -0.108 0.000 0.790 265 L CB -0.845 41.091 42.059 -0.205 0.000 0.919 265 L HN 0.169 nan 8.230 nan 0.000 0.443 266 T N -1.167 113.377 114.554 -0.017 0.000 2.851 266 T HA -0.110 4.240 4.350 -0.001 0.000 0.262 266 T C 1.875 176.584 174.700 0.015 0.000 1.043 266 T CA 0.818 62.916 62.100 -0.004 0.000 1.140 266 T CB 0.149 69.011 68.868 -0.010 0.000 0.872 266 T HN 0.266 nan 8.240 nan 0.000 0.446 267 K N 1.015 121.433 120.400 0.030 0.000 1.988 267 K HA -0.126 4.193 4.320 -0.001 0.000 0.221 267 K C 2.134 178.758 176.600 0.041 0.000 1.053 267 K CA 1.834 58.144 56.287 0.037 0.000 0.959 267 K CB -0.706 31.824 32.500 0.051 0.000 0.728 267 K HN 0.209 nan 8.250 nan 0.000 0.447 268 T N 0.269 114.859 114.554 0.060 0.000 3.219 268 T HA 0.005 4.355 4.350 -0.001 0.000 0.264 268 T C 0.978 175.704 174.700 0.044 0.000 1.178 268 T CA 0.865 63.003 62.100 0.063 0.000 1.057 268 T CB -0.561 68.368 68.868 0.102 0.000 0.919 268 T HN 0.617 nan 8.240 nan 0.000 0.545 269 G N 1.047 109.865 108.800 0.030 0.000 2.249 269 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.273 269 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.273 269 G C 0.988 175.898 174.900 0.016 0.000 1.036 269 G CA 0.217 45.329 45.100 0.020 0.000 0.824 269 G HN 1.365 nan 8.290 nan 0.000 0.504 270 G N -1.142 107.665 108.800 0.013 0.000 2.157 270 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.248 270 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.248 270 G C 0.086 174.997 174.900 0.019 0.000 0.979 270 G CA 0.807 45.909 45.100 0.004 0.000 0.650 270 G HN 1.257 nan 8.290 nan 0.000 0.529 271 D N 1.195 121.619 120.400 0.040 0.000 2.365 271 D HA 0.456 5.095 4.640 -0.001 0.000 0.237 271 D C 2.016 178.370 176.300 0.091 0.000 1.190 271 D CA 0.554 54.590 54.000 0.060 0.000 0.867 271 D CB 0.680 41.519 40.800 0.064 0.000 1.050 271 D HN 0.281 nan 8.370 nan 0.000 0.491 272 T N 1.078 115.681 114.554 0.082 0.000 2.867 272 T HA -0.098 4.252 4.350 -0.001 0.000 0.268 272 T C 1.749 176.559 174.700 0.183 0.000 1.057 272 T CA 0.922 63.090 62.100 0.112 0.000 1.136 272 T CB -0.025 68.890 68.868 0.078 0.000 0.874 272 T HN 0.262 nan 8.240 nan 0.000 0.466 273 A N 1.592 124.498 122.820 0.143 0.000 1.970 273 A HA 0.137 4.456 4.320 -0.001 0.000 0.216 273 A C 2.440 180.102 177.584 0.131 0.000 1.170 273 A CA 0.969 53.092 52.037 0.143 0.000 0.645 273 A CB -0.398 18.675 19.000 0.122 0.000 0.816 273 A HN 0.505 nan 8.150 nan 0.000 0.447 274 K N -1.680 118.794 120.400 0.123 0.000 2.103 274 K HA -0.086 4.234 4.320 -0.001 0.000 0.204 274 K C 1.880 178.540 176.600 0.101 0.000 1.052 274 K CA 1.331 57.676 56.287 0.097 0.000 0.945 274 K CB -0.301 32.250 32.500 0.085 0.000 0.722 274 K HN 0.631 nan 8.250 nan 0.000 0.443 275 Y N 1.564 121.883 120.300 0.032 0.000 2.165 275 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 275 Y C 2.126 178.042 175.900 0.025 0.000 1.155 275 Y CA 1.590 59.705 58.100 0.024 0.000 1.164 275 Y CB -0.275 38.199 38.460 0.023 0.000 0.978 275 Y HN 0.032 nan 8.280 nan 0.000 0.513 276 A N 0.236 123.103 122.820 0.077 0.000 1.877 276 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 276 A C 2.204 179.752 177.584 -0.062 0.000 1.186 276 A CA 1.840 53.874 52.037 -0.006 0.000 0.620 276 A CB -1.224 17.848 19.000 0.119 0.000 0.822 276 A HN 0.584 nan 8.150 nan 0.000 0.443 277 L N -0.039 121.180 121.223 -0.006 0.000 2.072 277 L HA -0.081 4.259 4.340 -0.001 0.000 0.205 277 L C 2.131 178.968 176.870 -0.054 0.000 1.079 277 L CA 2.095 56.930 54.840 -0.008 0.000 0.752 277 L CB -0.454 41.624 42.059 0.032 0.000 0.906 277 L HN 0.476 nan 8.230 nan 0.000 0.436 278 E N -0.639 119.514 120.200 -0.080 0.000 2.347 278 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 278 E C 0.851 177.365 176.600 -0.143 0.000 1.008 278 E CA 0.630 56.976 56.400 -0.089 0.000 0.852 278 E CB -0.104 29.557 29.700 -0.065 0.000 0.783 278 E HN 0.612 nan 8.360 nan 0.000 0.505 279 N N 0.413 118.975 118.700 -0.231 0.000 2.205 279 N HA 0.038 4.778 4.740 -0.001 0.000 0.201 279 N C -0.276 175.140 175.510 -0.156 0.000 1.128 279 N CA 0.115 53.014 53.050 -0.251 0.000 0.867 279 N CB 0.797 38.995 38.487 -0.481 0.000 0.996 279 N HN -0.078 nan 8.380 nan 0.000 0.503 280 K N -0.200 120.133 120.400 -0.112 0.000 3.379 280 K HA -0.091 4.228 4.320 -0.001 0.000 0.300 280 K C 0.820 177.398 176.600 -0.037 0.000 1.302 280 K CA 0.229 56.476 56.287 -0.067 0.000 0.877 280 K CB -1.869 30.592 32.500 -0.065 0.000 1.343 280 K HN 0.167 nan 8.250 nan 0.000 0.488 281 L N -0.985 120.216 121.223 -0.036 0.000 2.376 281 L HA 0.071 4.410 4.340 -0.001 0.000 0.219 281 L C 0.826 177.760 176.870 0.107 0.000 1.133 281 L CA 0.515 55.379 54.840 0.040 0.000 0.816 281 L CB -0.015 42.004 42.059 -0.067 0.000 0.933 281 L HN 0.058 nan 8.230 nan 0.000 0.449 282 V N -0.993 118.948 119.914 0.044 0.000 3.147 282 V HA 0.191 4.310 4.120 -0.001 0.000 0.306 282 V C -0.389 175.707 176.094 0.003 0.000 1.209 282 V CA -0.583 61.753 62.300 0.060 0.000 1.023 282 V CB 2.857 34.752 31.823 0.120 0.000 1.059 282 V HN -0.017 nan 8.190 nan 0.000 0.435 283 D N 1.697 122.074 120.400 -0.038 0.000 2.394 283 D HA 0.360 4.999 4.640 -0.001 0.000 0.226 283 D C 0.274 176.538 176.300 -0.060 0.000 0.990 283 D CA 1.034 54.980 54.000 -0.090 0.000 0.902 283 D CB 1.355 42.044 40.800 -0.184 0.000 1.038 283 D HN 0.618 nan 8.370 nan 0.000 0.499 284 A N 0.705 123.508 122.820 -0.028 0.000 2.520 284 A HA 0.590 4.910 4.320 -0.001 0.000 0.298 284 A C -1.138 176.592 177.584 0.244 0.000 1.051 284 A CA -0.587 51.510 52.037 0.099 0.000 0.690 284 A CB 1.264 20.339 19.000 0.125 0.000 1.281 284 A HN 0.028 nan 8.150 nan 0.000 0.402 285 L N 1.352 122.703 121.223 0.213 0.000 2.312 285 L HA 0.752 5.091 4.340 -0.001 0.000 0.281 285 L C 0.408 177.413 176.870 0.225 0.000 1.070 285 L CA -0.179 54.791 54.840 0.218 0.000 0.805 285 L CB 1.483 43.629 42.059 0.144 0.000 1.174 285 L HN 0.961 nan 8.230 nan 0.000 0.434 286 A N 2.017 124.957 122.820 0.199 0.000 2.582 286 A HA 0.484 4.803 4.320 -0.001 0.000 0.297 286 A C -0.577 177.018 177.584 0.018 0.000 1.059 286 A CA -0.456 51.639 52.037 0.098 0.000 0.705 286 A CB 1.739 20.785 19.000 0.076 0.000 1.279 286 A HN 0.556 nan 8.150 nan 0.000 0.404 287 S N 0.401 116.095 115.700 -0.009 0.000 2.589 287 S HA 0.261 4.730 4.470 -0.001 0.000 0.265 287 S C 1.722 176.279 174.600 -0.072 0.000 1.342 287 S CA 0.608 58.795 58.200 -0.023 0.000 1.005 287 S CB 0.938 64.129 63.200 -0.015 0.000 0.909 287 S HN 1.744 nan 8.310 nan 0.000 0.555 288 S N 2.056 117.726 115.700 -0.050 0.000 2.400 288 S HA -0.119 4.351 4.470 -0.001 0.000 0.232 288 S C 1.797 176.353 174.600 -0.073 0.000 1.025 288 S CA 1.650 59.813 58.200 -0.062 0.000 0.993 288 S CB -0.745 62.443 63.200 -0.021 0.000 0.808 288 S HN 0.837 nan 8.310 nan 0.000 0.478 289 A N 0.507 123.294 122.820 -0.054 0.000 1.984 289 A HA 0.179 4.498 4.320 -0.001 0.000 0.214 289 A C 1.896 179.434 177.584 -0.077 0.000 1.173 289 A CA 0.870 52.882 52.037 -0.042 0.000 0.673 289 A CB -0.414 18.575 19.000 -0.018 0.000 0.830 289 A HN 0.642 nan 8.150 nan 0.000 0.453 290 E N -0.000 120.141 120.200 -0.098 0.000 2.110 290 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 290 E C 1.709 178.153 176.600 -0.260 0.000 0.988 290 E CA 1.157 57.483 56.400 -0.124 0.000 0.804 290 E CB -0.269 29.382 29.700 -0.081 0.000 0.745 290 E HN 0.675 nan 8.360 nan 0.000 0.458 291 I N 1.138 121.473 120.570 -0.393 0.000 2.179 291 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 291 I C 2.598 178.408 176.117 -0.511 0.000 1.088 291 I CA 1.200 62.063 61.300 -0.728 0.000 1.357 291 I CB -0.140 37.472 38.000 -0.647 0.000 1.051 291 I HN 0.124 nan 8.210 nan 0.000 0.409 292 E N 0.748 120.801 120.200 -0.245 0.000 2.110 292 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 292 E C 2.052 178.622 176.600 -0.050 0.000 0.988 292 E CA 1.193 57.546 56.400 -0.079 0.000 0.804 292 E CB 0.183 29.920 29.700 0.061 0.000 0.745 292 E HN 0.154 nan 8.360 nan 0.000 0.458 293 K N 0.318 120.666 120.400 -0.086 0.000 2.057 293 K HA -0.033 4.287 4.320 -0.001 0.000 0.206 293 K C 1.741 178.301 176.600 -0.066 0.000 1.050 293 K CA 1.262 57.518 56.287 -0.051 0.000 0.935 293 K CB -0.381 32.085 32.500 -0.058 0.000 0.715 293 K HN 0.155 nan 8.250 nan 0.000 0.439 294 A N 0.345 123.081 122.820 -0.140 0.000 1.930 294 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 294 A C 2.105 179.594 177.584 -0.158 0.000 1.175 294 A CA 1.246 53.220 52.037 -0.105 0.000 0.627 294 A CB -0.577 18.384 19.000 -0.065 0.000 0.815 294 A HN 0.240 nan 8.150 nan 0.000 0.443 295 L N -0.208 120.843 121.223 -0.286 0.000 2.109 295 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 295 L C 2.988 179.836 176.870 -0.036 0.000 1.086 295 L CA 1.772 56.419 54.840 -0.321 0.000 0.760 295 L CB -0.832 40.756 42.059 -0.785 0.000 0.910 295 L HN 0.664 nan 8.230 nan 0.000 0.437 296 T N -3.054 111.555 114.554 0.092 0.000 2.951 296 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 296 T C 1.923 176.724 174.700 0.167 0.000 1.073 296 T CA 0.732 63.002 62.100 0.284 0.000 1.134 296 T CB 0.012 69.131 68.868 0.418 0.000 0.884 296 T HN -0.053 nan 8.240 nan 0.000 0.479 297 K N 1.401 121.834 120.400 0.056 0.000 2.097 297 K HA 0.039 4.358 4.320 -0.001 0.000 0.205 297 K C 2.248 178.832 176.600 -0.026 0.000 1.050 297 K CA 1.614 57.913 56.287 0.020 0.000 0.938 297 K CB -0.402 32.098 32.500 0.000 0.000 0.718 297 K HN 0.621 nan 8.250 nan 0.000 0.442 298 E N -1.503 118.618 120.200 -0.132 0.000 2.230 298 E HA -0.019 4.331 4.350 -0.001 0.000 0.192 298 E C 0.848 177.211 176.600 -0.396 0.000 0.987 298 E CA 0.993 57.202 56.400 -0.319 0.000 0.841 298 E CB 0.015 29.425 29.700 -0.484 0.000 0.783 298 E HN 0.251 nan 8.360 nan 0.000 0.481 299 F N -0.218 119.796 119.950 0.106 0.000 2.706 299 F HA 0.462 4.989 4.527 -0.001 0.000 0.308 299 F C 1.026 176.931 175.800 0.174 0.000 1.095 299 F CA 0.411 58.508 58.000 0.162 0.000 1.244 299 F CB 0.914 40.055 39.000 0.235 0.000 1.063 299 F HN 0.146 nan 8.300 nan 0.000 0.582 300 G N 0.226 109.214 108.800 0.313 0.000 2.781 300 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.683 300 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.683 300 G C -0.995 174.127 174.900 0.370 0.000 1.390 300 G CA -0.746 44.527 45.100 0.289 0.000 0.850 300 G HN 0.296 nan 8.290 nan 0.000 0.557 301 W N 1.397 122.768 121.300 0.119 0.000 2.469 301 W HA 0.659 5.319 4.660 -0.001 0.000 0.320 301 W C 0.058 176.616 176.519 0.065 0.000 1.086 301 W CA -0.246 57.156 57.345 0.096 0.000 1.211 301 W CB 1.941 31.442 29.460 0.069 0.000 1.298 301 W HN 0.939 nan 8.180 nan 0.000 0.525 302 S N 4.962 120.375 115.700 -0.479 0.000 2.438 302 S HA 0.214 4.683 4.470 -0.001 0.000 0.316 302 S C 0.799 175.113 174.600 -0.478 0.000 1.084 302 S CA -0.493 57.490 58.200 -0.361 0.000 1.107 302 S CB 1.179 64.196 63.200 -0.305 0.000 0.981 302 S HN 0.632 nan 8.310 nan 0.000 0.466 303 K N 2.462 122.772 120.400 -0.150 0.000 2.211 303 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 303 K C 1.694 178.252 176.600 -0.070 0.000 1.050 303 K CA 1.746 58.018 56.287 -0.026 0.000 0.945 303 K CB -0.183 32.376 32.500 0.097 0.000 0.732 303 K HN 0.702 nan 8.250 nan 0.000 0.451 304 T N 0.993 115.488 114.554 -0.099 0.000 2.770 304 T HA -0.083 4.266 4.350 -0.001 0.000 0.263 304 T C 1.273 175.897 174.700 -0.127 0.000 1.039 304 T CA 1.191 63.240 62.100 -0.085 0.000 1.142 304 T CB -0.187 68.640 68.868 -0.067 0.000 0.868 304 T HN 0.108 nan 8.240 nan 0.000 0.435 305 D N 0.709 120.987 120.400 -0.203 0.000 2.234 305 D HA 0.035 4.675 4.640 -0.001 0.000 0.205 305 D C 0.751 176.882 176.300 -0.283 0.000 0.962 305 D CA 0.487 54.348 54.000 -0.231 0.000 0.855 305 D CB -0.027 40.606 40.800 -0.278 0.000 0.951 305 D HN 0.132 nan 8.370 nan 0.000 0.500 306 K N 0.185 120.342 120.400 -0.405 0.000 3.230 306 K HA -0.142 4.178 4.320 -0.001 0.000 0.285 306 K C -0.190 175.930 176.600 -0.800 0.000 1.196 306 K CA 0.346 56.352 56.287 -0.469 0.000 0.838 306 K CB -1.951 30.488 32.500 -0.102 0.000 1.262 306 K HN 0.253 nan 8.250 nan 0.000 0.492 307 N N -0.516 117.581 118.700 -1.004 0.000 3.229 307 N HA 0.310 5.050 4.740 -0.001 0.000 0.315 307 N C -0.474 174.611 175.510 -0.708 0.000 1.520 307 N CA -0.691 51.882 53.050 -0.795 0.000 0.769 307 N CB 0.842 39.043 38.487 -0.476 0.000 1.766 307 N HN 0.035 nan 8.380 nan 0.000 0.618 308 Y N 0.245 120.437 120.300 -0.180 0.000 2.426 308 Y HA 0.329 4.879 4.550 -0.001 0.000 0.344 308 Y C 0.478 176.331 175.900 -0.078 0.000 1.256 308 Y CA -0.549 57.555 58.100 0.006 0.000 1.451 308 Y CB 0.236 38.782 38.460 0.143 0.000 1.342 308 Y HN 0.107 nan 8.280 nan 0.000 0.600 309 R N 2.389 122.952 120.500 0.105 0.000 2.351 309 R HA 0.582 4.922 4.340 -0.001 0.000 0.318 309 R C -0.670 175.572 176.300 -0.096 0.000 1.055 309 R CA 0.387 56.476 56.100 -0.018 0.000 0.968 309 R CB 0.024 30.386 30.300 0.103 0.000 0.974 309 R HN 0.884 nan 8.270 nan 0.000 0.439 310 A N 3.471 126.148 122.820 -0.240 0.000 2.586 310 A HA 0.626 4.946 4.320 -0.001 0.000 0.291 310 A C -1.540 175.935 177.584 -0.181 0.000 1.062 310 A CA -0.772 51.117 52.037 -0.247 0.000 0.666 310 A CB 1.666 20.431 19.000 -0.392 0.000 1.281 310 A HN 0.703 nan 8.150 nan 0.000 0.421 311 I N 0.532 121.028 120.570 -0.123 0.000 2.571 311 I HA 0.566 4.736 4.170 -0.001 0.000 0.289 311 I C -0.082 176.016 176.117 -0.032 0.000 1.115 311 I CA -0.216 61.052 61.300 -0.054 0.000 1.045 311 I CB 1.942 39.956 38.000 0.023 0.000 1.238 311 I HN 0.778 nan 8.210 nan 0.000 0.424 312 S N 4.879 120.584 115.700 0.009 0.000 2.576 312 S HA 0.053 4.522 4.470 -0.001 0.000 0.276 312 S C 0.990 175.637 174.600 0.079 0.000 1.339 312 S CA 0.199 58.438 58.200 0.064 0.000 1.039 312 S CB 0.520 63.801 63.200 0.136 0.000 0.902 312 S HN 0.684 nan 8.310 nan 0.000 0.516 313 Y N 5.005 125.250 120.300 -0.093 0.000 2.096 313 Y HA -0.307 4.243 4.550 -0.001 0.000 0.278 313 Y C 1.304 177.106 175.900 -0.163 0.000 1.192 313 Y CA 2.397 60.368 58.100 -0.214 0.000 1.143 313 Y CB -0.821 37.356 38.460 -0.472 0.000 0.963 313 Y HN 0.883 nan 8.280 nan 0.000 0.505 314 Y N 0.225 120.488 120.300 -0.062 0.000 2.421 314 Y HA -0.138 4.411 4.550 -0.001 0.000 0.292 314 Y C 1.912 177.730 175.900 -0.137 0.000 1.136 314 Y CA 1.385 59.390 58.100 -0.158 0.000 1.255 314 Y CB -0.187 38.279 38.460 0.010 0.000 0.991 314 Y HN 0.264 nan 8.280 nan 0.000 0.552 315 D N -2.204 118.222 120.400 0.043 0.000 2.389 315 D HA -0.059 4.580 4.640 -0.001 0.000 0.206 315 D C -0.256 176.052 176.300 0.012 0.000 1.055 315 D CA 0.100 54.113 54.000 0.021 0.000 0.856 315 D CB -0.079 40.744 40.800 0.038 0.000 0.957 315 D HN 0.212 nan 8.370 nan 0.000 0.509 316 Y N 2.534 122.754 120.300 -0.133 0.000 2.436 316 Y HA 0.349 4.899 4.550 -0.001 0.000 0.336 316 Y C -0.063 175.755 175.900 -0.136 0.000 1.049 316 Y CA -1.158 56.873 58.100 -0.114 0.000 1.294 316 Y CB 0.565 38.967 38.460 -0.097 0.000 1.179 316 Y HN -0.151 nan 8.280 nan 0.000 0.520 317 A N 7.466 129.940 122.820 -0.577 0.000 2.347 317 A HA 0.363 4.683 4.320 -0.001 0.000 0.287 317 A C -0.973 176.339 177.584 -0.453 0.000 1.199 317 A CA -0.697 51.096 52.037 -0.406 0.000 0.851 317 A CB -0.174 18.660 19.000 -0.276 0.000 1.118 317 A HN 0.823 nan 8.150 nan 0.000 0.525 318 L N 3.031 124.110 121.223 -0.239 0.000 2.325 318 L HA 0.351 4.691 4.340 -0.001 0.000 0.284 318 L C 0.499 177.316 176.870 -0.088 0.000 1.089 318 L CA -0.360 54.408 54.840 -0.121 0.000 0.836 318 L CB 0.266 42.314 42.059 -0.018 0.000 1.184 318 L HN 0.576 nan 8.230 nan 0.000 0.444 319 K N 3.593 123.943 120.400 -0.084 0.000 2.453 319 K HA 0.066 4.386 4.320 -0.001 0.000 0.280 319 K C -0.253 176.339 176.600 -0.012 0.000 1.045 319 K CA 0.411 56.665 56.287 -0.054 0.000 1.059 319 K CB -0.138 32.334 32.500 -0.045 0.000 0.901 319 K HN 0.736 nan 8.250 nan 0.000 0.475 320 T N 4.765 119.310 114.554 -0.015 0.000 2.829 320 T HA 0.218 4.567 4.350 -0.001 0.000 0.293 320 T C -2.039 172.664 174.700 0.005 0.000 0.970 320 T CA -1.418 60.687 62.100 0.008 0.000 1.168 320 T CB 0.019 68.885 68.868 -0.002 0.000 0.911 320 T HN 0.431 nan 8.240 nan 0.000 0.535 321 P HA 0.393 nan 4.420 nan 0.000 0.271 321 P C -0.213 177.062 177.300 -0.042 0.000 1.216 321 P CA -0.540 62.580 63.100 0.033 0.000 0.776 321 P CB 0.260 32.025 31.700 0.108 0.000 0.881 322 A N 2.344 125.120 122.820 -0.073 0.000 2.511 322 A HA 0.263 4.583 4.320 -0.001 0.000 0.242 322 A C 0.075 177.472 177.584 -0.312 0.000 1.069 322 A CA -0.229 51.711 52.037 -0.162 0.000 0.763 322 A CB -0.456 18.476 19.000 -0.113 0.000 1.001 322 A HN 0.661 nan 8.150 nan 0.000 0.498 323 D N 2.306 122.368 120.400 -0.563 0.000 2.317 323 D HA 0.388 5.027 4.640 -0.001 0.000 0.234 323 D C 0.802 176.675 176.300 -0.712 0.000 1.112 323 D CA -0.108 53.191 54.000 -1.168 0.000 0.840 323 D CB 0.768 40.397 40.800 -1.952 0.000 1.078 323 D HN 0.283 nan 8.370 nan 0.000 0.486 324 T N 2.074 116.316 114.554 -0.521 0.000 2.504 324 T HA 0.292 4.642 4.350 -0.001 0.000 0.243 324 T C 1.425 176.128 174.700 0.005 0.000 1.206 324 T CA 1.534 63.587 62.100 -0.079 0.000 1.356 324 T CB -0.521 68.461 68.868 0.189 0.000 0.910 324 T HN 0.772 nan 8.240 nan 0.000 0.393 325 G N 0.060 109.053 108.800 0.322 0.000 3.758 325 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.206 325 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.206 325 G C -0.945 174.131 174.900 0.293 0.000 0.946 325 G CA -0.372 44.903 45.100 0.292 0.000 0.885 325 G HN 0.422 nan 8.290 nan 0.000 0.392 326 D N 2.414 122.955 120.400 0.233 0.000 2.352 326 D HA 0.510 5.149 4.640 -0.001 0.000 0.245 326 D C 0.553 176.898 176.300 0.074 0.000 1.224 326 D CA 0.451 54.529 54.000 0.130 0.000 0.879 326 D CB 1.351 42.199 40.800 0.080 0.000 1.057 326 D HN 0.447 nan 8.370 nan 0.000 0.491 327 S N 1.671 117.315 115.700 -0.094 0.000 2.593 327 S HA 0.669 5.139 4.470 -0.001 0.000 0.297 327 S C -0.129 174.319 174.600 -0.254 0.000 1.112 327 S CA -0.956 56.962 58.200 -0.469 0.000 1.043 327 S CB 1.300 63.905 63.200 -0.992 0.000 1.054 327 S HN 0.301 nan 8.310 nan 0.000 0.516 328 I N 2.100 122.541 120.570 -0.215 0.000 2.339 328 I HA 0.418 4.588 4.170 -0.001 0.000 0.290 328 I C 0.959 177.002 176.117 -0.124 0.000 0.994 328 I CA -0.676 60.571 61.300 -0.088 0.000 1.191 328 I CB 1.319 39.333 38.000 0.023 0.000 1.343 328 I HN 0.927 nan 8.210 nan 0.000 0.458 329 G N 5.689 114.439 108.800 -0.085 0.000 2.406 329 G HA2 0.439 4.399 3.960 -0.001 0.000 0.251 329 G HA3 0.439 4.399 3.960 -0.001 0.000 0.251 329 G C -0.483 174.382 174.900 -0.058 0.000 1.271 329 G CA -0.156 44.954 45.100 0.016 0.000 0.859 329 G HN 0.383 nan 8.290 nan 0.000 0.540 330 V N 3.056 122.934 119.914 -0.060 0.000 2.376 330 V HA 0.317 4.437 4.120 -0.001 0.000 0.287 330 V C -0.207 175.723 176.094 -0.273 0.000 1.015 330 V CA -0.686 61.463 62.300 -0.252 0.000 0.834 330 V CB 1.459 33.040 31.823 -0.404 0.000 1.001 330 V HN 0.525 nan 8.190 nan 0.000 0.428 331 V N 5.433 125.158 119.914 -0.315 0.000 2.417 331 V HA 0.522 4.642 4.120 -0.001 0.000 0.291 331 V C -0.404 175.488 176.094 -0.337 0.000 1.024 331 V CA -0.506 61.654 62.300 -0.233 0.000 0.861 331 V CB 1.553 33.282 31.823 -0.156 0.000 0.985 331 V HN 0.646 nan 8.190 nan 0.000 0.436 332 F N 2.661 122.609 119.950 -0.003 0.000 2.396 332 F HA 0.642 5.169 4.527 -0.001 0.000 0.343 332 F C 0.693 176.497 175.800 0.006 0.000 1.104 332 F CA -0.384 57.613 58.000 -0.004 0.000 1.161 332 F CB 1.404 40.401 39.000 -0.004 0.000 1.146 332 F HN 0.517 nan 8.300 nan 0.000 0.522 333 A N 2.997 125.929 122.820 0.188 0.000 2.938 333 A HA 0.336 4.656 4.320 -0.001 0.000 0.344 333 A C -0.675 176.991 177.584 0.136 0.000 1.142 333 A CA -0.582 51.530 52.037 0.124 0.000 0.841 333 A CB -0.313 18.732 19.000 0.074 0.000 1.083 333 A HN 0.599 nan 8.150 nan 0.000 0.479 334 N N 1.482 120.267 118.700 0.142 0.000 2.527 334 N HA 0.565 5.305 4.740 -0.001 0.000 0.236 334 N C 0.255 175.804 175.510 0.064 0.000 0.999 334 N CA 1.246 54.360 53.050 0.107 0.000 0.935 334 N CB 0.723 39.260 38.487 0.084 0.000 1.132 334 N HN 1.147 nan 8.380 nan 0.000 0.511 335 G N 1.182 110.015 108.800 0.056 0.000 2.353 335 G HA2 0.320 4.280 3.960 -0.001 0.000 0.615 335 G HA3 0.320 4.280 3.960 -0.001 0.000 0.615 335 G C -1.046 173.873 174.900 0.033 0.000 1.280 335 G CA -0.500 44.622 45.100 0.038 0.000 1.000 335 G HN 0.680 nan 8.290 nan 0.000 0.516 336 A N -0.533 122.301 122.820 0.024 0.000 2.511 336 A HA 0.551 4.871 4.320 -0.001 0.000 0.242 336 A C 0.639 178.226 177.584 0.004 0.000 1.069 336 A CA 0.328 52.376 52.037 0.017 0.000 0.763 336 A CB -0.175 18.834 19.000 0.016 0.000 1.001 336 A HN 1.122 nan 8.150 nan 0.000 0.498 337 I N 4.290 124.854 120.570 -0.010 0.000 2.301 337 I HA 0.169 4.338 4.170 -0.001 0.000 0.292 337 I C 0.083 176.167 176.117 -0.054 0.000 1.046 337 I CA 0.002 61.282 61.300 -0.033 0.000 1.282 337 I CB 0.446 38.413 38.000 -0.053 0.000 1.409 337 I HN 0.572 nan 8.210 nan 0.000 0.484 338 M N 3.759 123.331 119.600 -0.046 0.000 2.762 338 M HA 0.335 4.814 4.480 -0.001 0.000 0.306 338 M C 0.685 176.949 176.300 -0.060 0.000 1.223 338 M CA -0.674 54.594 55.300 -0.053 0.000 0.896 338 M CB 1.097 33.676 32.600 -0.035 0.000 1.684 338 M HN 0.392 nan 8.290 nan 0.000 0.491 339 D N 0.790 121.152 120.400 -0.064 0.000 2.178 339 D HA 0.002 4.641 4.640 -0.001 0.000 0.202 339 D C 1.243 177.512 176.300 -0.051 0.000 0.974 339 D CA 1.218 55.178 54.000 -0.067 0.000 0.841 339 D CB 0.420 41.178 40.800 -0.070 0.000 0.953 339 D HN 0.803 nan 8.370 nan 0.000 0.478 340 G N 0.371 109.148 108.800 -0.039 0.000 3.329 340 G HA2 0.100 4.059 3.960 -0.001 0.000 0.180 340 G HA3 0.100 4.059 3.960 -0.001 0.000 0.180 340 G C 0.341 175.227 174.900 -0.024 0.000 1.640 340 G CA -0.315 44.767 45.100 -0.030 0.000 1.018 340 G HN -0.087 nan 8.290 nan 0.000 0.581 341 E N 0.871 121.061 120.200 -0.017 0.000 2.374 341 E HA 0.129 4.479 4.350 -0.001 0.000 0.260 341 E C -0.208 176.388 176.600 -0.007 0.000 1.101 341 E CA -0.270 56.124 56.400 -0.010 0.000 0.907 341 E CB 1.337 31.034 29.700 -0.005 0.000 1.014 341 E HN 0.512 nan 8.360 nan 0.000 0.427 342 E N 1.405 121.605 120.200 0.000 0.000 2.328 342 E HA 0.016 4.365 4.350 -0.001 0.000 0.265 342 E C -0.543 176.060 176.600 0.004 0.000 1.057 342 E CA 0.060 56.463 56.400 0.005 0.000 0.916 342 E CB 0.366 30.074 29.700 0.014 0.000 0.993 342 E HN 0.461 nan 8.360 nan 0.000 0.446 343 T N 0.876 115.431 114.554 0.001 0.000 2.883 343 T HA 0.329 4.679 4.350 -0.001 0.000 0.284 343 T C 0.475 175.177 174.700 0.003 0.000 1.041 343 T CA -0.502 61.598 62.100 0.001 0.000 1.007 343 T CB 1.373 70.240 68.868 -0.003 0.000 1.220 343 T HN 0.694 nan 8.240 nan 0.000 0.552 344 Q N -0.042 119.760 119.800 0.003 0.000 2.059 344 Q HA -0.229 4.110 4.340 -0.001 0.000 0.424 344 Q C 0.937 176.940 176.000 0.005 0.000 0.752 344 Q CA 1.955 57.760 55.803 0.004 0.000 0.867 344 Q CB -1.689 27.051 28.738 0.003 0.000 3.364 344 Q HN 1.174 nan 8.270 nan 0.000 0.848 345 G N 0.550 109.354 108.800 0.006 0.000 4.547 345 G HA2 0.445 4.405 3.960 -0.001 0.000 0.301 345 G HA3 0.445 4.405 3.960 -0.001 0.000 0.301 345 G C -0.752 174.154 174.900 0.011 0.000 1.240 345 G CA -0.149 44.956 45.100 0.008 0.000 0.970 345 G HN 0.281 nan 8.290 nan 0.000 0.574 346 N N -0.992 117.714 118.700 0.010 0.000 2.531 346 N HA 0.590 5.330 4.740 -0.001 0.000 0.290 346 N C -0.926 174.593 175.510 0.014 0.000 1.257 346 N CA -0.874 52.183 53.050 0.011 0.000 0.863 346 N CB 2.554 41.043 38.487 0.004 0.000 1.320 346 N HN -0.137 nan 8.380 nan 0.000 0.538 347 V N 0.535 120.457 119.914 0.012 0.000 2.439 347 V HA 0.454 4.574 4.120 -0.001 0.000 0.282 347 V C 0.500 176.592 176.094 -0.004 0.000 1.039 347 V CA -0.515 61.793 62.300 0.013 0.000 0.913 347 V CB 1.082 32.916 31.823 0.018 0.000 0.983 347 V HN 0.774 nan 8.190 nan 0.000 0.460 348 G N 2.876 111.674 108.800 -0.003 0.000 2.329 348 G HA2 0.469 4.429 3.960 -0.001 0.000 0.309 348 G HA3 0.469 4.429 3.960 -0.001 0.000 0.309 348 G C 1.000 175.886 174.900 -0.023 0.000 1.110 348 G CA 0.200 45.291 45.100 -0.015 0.000 0.923 348 G HN 0.970 nan 8.290 nan 0.000 0.430 349 G N 2.481 111.257 108.800 -0.039 0.000 2.574 349 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.220 349 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.220 349 G C 1.225 176.101 174.900 -0.039 0.000 1.173 349 G CA 1.496 46.567 45.100 -0.048 0.000 0.772 349 G HN 0.542 nan 8.290 nan 0.000 0.585 350 D N -0.161 120.218 120.400 -0.035 0.000 2.183 350 D HA -0.031 4.609 4.640 -0.001 0.000 0.203 350 D C 2.717 179.002 176.300 -0.026 0.000 0.969 350 D CA 1.370 55.352 54.000 -0.031 0.000 0.842 350 D CB -0.644 40.140 40.800 -0.027 0.000 0.957 350 D HN 0.291 nan 8.370 nan 0.000 0.484 351 T N 0.139 114.682 114.554 -0.018 0.000 2.777 351 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 351 T C 2.034 176.723 174.700 -0.018 0.000 1.040 351 T CA 1.470 63.565 62.100 -0.009 0.000 1.141 351 T CB -0.376 68.496 68.868 0.006 0.000 0.868 351 T HN 0.135 nan 8.240 nan 0.000 0.444 352 T N 1.899 116.440 114.554 -0.021 0.000 2.812 352 T HA 0.100 4.450 4.350 -0.001 0.000 0.264 352 T C 2.463 177.124 174.700 -0.064 0.000 1.042 352 T CA 0.972 63.053 62.100 -0.033 0.000 1.140 352 T CB -0.517 68.341 68.868 -0.017 0.000 0.870 352 T HN 0.402 nan 8.240 nan 0.000 0.445 353 A N 1.516 124.303 122.820 -0.055 0.000 1.940 353 A HA 0.084 4.404 4.320 -0.001 0.000 0.219 353 A C 2.570 180.108 177.584 -0.077 0.000 1.176 353 A CA 1.868 53.867 52.037 -0.063 0.000 0.631 353 A CB -0.979 17.991 19.000 -0.048 0.000 0.814 353 A HN 0.508 nan 8.150 nan 0.000 0.446 354 A N -1.056 121.724 122.820 -0.066 0.000 2.014 354 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 354 A C 2.075 179.589 177.584 -0.117 0.000 1.163 354 A CA 1.477 53.473 52.037 -0.068 0.000 0.652 354 A CB -0.383 18.595 19.000 -0.036 0.000 0.808 354 A HN 0.661 nan 8.150 nan 0.000 0.449 355 Q N -0.569 119.135 119.800 -0.159 0.000 2.096 355 Q HA -0.002 4.337 4.340 -0.001 0.000 0.197 355 Q C 1.907 177.611 176.000 -0.493 0.000 0.964 355 Q CA 1.254 56.854 55.803 -0.338 0.000 0.838 355 Q CB -0.239 28.346 28.738 -0.254 0.000 0.906 355 Q HN 0.729 nan 8.270 nan 0.000 0.444 356 I N 0.448 120.840 120.570 -0.297 0.000 2.142 356 I HA -0.315 3.855 4.170 -0.001 0.000 0.240 356 I C 2.588 178.584 176.117 -0.201 0.000 1.078 356 I CA 1.221 62.374 61.300 -0.246 0.000 1.343 356 I CB -0.282 37.629 38.000 -0.148 0.000 1.046 356 I HN 0.129 nan 8.210 nan 0.000 0.405 357 R N 1.092 121.504 120.500 -0.145 0.000 2.113 357 R HA -0.284 4.056 4.340 -0.001 0.000 0.244 357 R C 1.881 178.120 176.300 -0.101 0.000 1.142 357 R CA 2.526 58.566 56.100 -0.099 0.000 0.953 357 R CB -0.429 29.829 30.300 -0.070 0.000 0.860 357 R HN 0.320 nan 8.270 nan 0.000 0.438 358 D N -0.716 119.599 120.400 -0.141 0.000 2.106 358 D HA -0.192 4.448 4.640 -0.001 0.000 0.191 358 D C 1.760 178.024 176.300 -0.060 0.000 0.997 358 D CA 2.128 56.074 54.000 -0.090 0.000 0.834 358 D CB -0.088 40.654 40.800 -0.097 0.000 0.956 358 D HN 0.473 nan 8.370 nan 0.000 0.448 359 A N 0.199 122.920 122.820 -0.165 0.000 1.930 359 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 359 A C 2.084 179.646 177.584 -0.036 0.000 1.175 359 A CA 1.499 53.508 52.037 -0.046 0.000 0.627 359 A CB -0.560 18.378 19.000 -0.103 0.000 0.815 359 A HN 0.184 nan 8.150 nan 0.000 0.443 360 R N -0.301 120.159 120.500 -0.067 0.000 2.159 360 R HA -0.063 4.276 4.340 -0.001 0.000 0.237 360 R C 1.184 177.471 176.300 -0.022 0.000 1.131 360 R CA 1.658 57.731 56.100 -0.044 0.000 0.982 360 R CB -0.269 30.000 30.300 -0.052 0.000 0.868 360 R HN 0.522 nan 8.270 nan 0.000 0.453 361 L N -0.357 120.858 121.223 -0.014 0.000 2.638 361 L HA 0.182 4.522 4.340 -0.001 0.000 0.232 361 L C 0.246 177.127 176.870 0.018 0.000 1.099 361 L CA -0.420 54.420 54.840 0.001 0.000 0.883 361 L CB 0.160 42.219 42.059 -0.000 0.000 1.136 361 L HN 0.073 nan 8.230 nan 0.000 0.492 362 D N 2.391 122.810 120.400 0.031 0.000 2.338 362 D HA 0.064 4.703 4.640 -0.001 0.000 0.255 362 D C -1.435 174.889 176.300 0.039 0.000 1.237 362 D CA -1.940 52.090 54.000 0.050 0.000 0.883 362 D CB 1.556 42.407 40.800 0.085 0.000 1.087 362 D HN -0.035 nan 8.370 nan 0.000 0.485 363 P HA -0.129 nan 4.420 nan 0.000 0.222 363 P C 1.100 178.424 177.300 0.039 0.000 1.147 363 P CA 0.650 63.769 63.100 0.032 0.000 0.790 363 P CB 0.596 32.315 31.700 0.032 0.000 0.780 364 K N 0.128 120.562 120.400 0.057 0.000 2.057 364 K HA -0.009 4.310 4.320 -0.001 0.000 0.207 364 K C 0.653 177.279 176.600 0.043 0.000 1.049 364 K CA 0.545 56.879 56.287 0.078 0.000 0.931 364 K CB -0.916 31.658 32.500 0.123 0.000 0.714 364 K HN -0.029 nan 8.250 nan 0.000 0.440 365 V N 2.311 122.237 119.914 0.020 0.000 2.470 365 V HA 0.024 4.143 4.120 -0.001 0.000 0.276 365 V C 0.845 176.930 176.094 -0.015 0.000 1.040 365 V CA 0.104 62.393 62.300 -0.018 0.000 1.008 365 V CB 1.334 33.163 31.823 0.010 0.000 0.990 365 V HN 0.164 nan 8.190 nan 0.000 0.477 366 K N 3.309 123.691 120.400 -0.030 0.000 2.352 366 K HA 0.490 4.809 4.320 -0.001 0.000 0.194 366 K C 0.353 176.935 176.600 -0.029 0.000 1.038 366 K CA 0.612 56.887 56.287 -0.021 0.000 1.023 366 K CB 0.952 33.443 32.500 -0.014 0.000 0.840 366 K HN 0.749 nan 8.250 nan 0.000 0.519 367 A N 0.447 123.243 122.820 -0.041 0.000 2.608 367 A HA 0.683 5.002 4.320 -0.001 0.000 0.292 367 A C -1.401 176.151 177.584 -0.055 0.000 1.066 367 A CA -0.711 51.299 52.037 -0.045 0.000 0.676 367 A CB 1.030 20.002 19.000 -0.047 0.000 1.277 367 A HN 0.031 nan 8.150 nan 0.000 0.413 368 I N 0.930 121.465 120.570 -0.058 0.000 2.474 368 I HA 0.520 4.690 4.170 -0.001 0.000 0.294 368 I C -0.847 175.220 176.117 -0.082 0.000 1.005 368 I CA -1.076 60.180 61.300 -0.072 0.000 1.113 368 I CB 2.012 39.967 38.000 -0.075 0.000 1.289 368 I HN 0.324 nan 8.210 nan 0.000 0.436 369 V N 6.444 126.292 119.914 -0.110 0.000 2.417 369 V HA 0.335 4.454 4.120 -0.001 0.000 0.291 369 V C -0.397 175.631 176.094 -0.111 0.000 1.024 369 V CA -0.659 61.580 62.300 -0.102 0.000 0.861 369 V CB 1.993 33.733 31.823 -0.138 0.000 0.985 369 V HN 0.420 nan 8.190 nan 0.000 0.436 370 L N 5.811 126.991 121.223 -0.073 0.000 2.264 370 L HA 0.607 4.946 4.340 -0.001 0.000 0.287 370 L C 0.035 176.879 176.870 -0.044 0.000 1.039 370 L CA -0.363 54.427 54.840 -0.083 0.000 0.829 370 L CB 0.919 42.948 42.059 -0.050 0.000 1.211 370 L HN 0.661 nan 8.230 nan 0.000 0.427 371 R N 4.360 124.792 120.500 -0.113 0.000 2.220 371 R HA 0.510 4.850 4.340 -0.001 0.000 0.340 371 R C -1.621 174.739 176.300 0.100 0.000 1.076 371 R CA -0.273 55.829 56.100 0.003 0.000 0.920 371 R CB 0.447 30.668 30.300 -0.132 0.000 1.062 371 R HN 0.468 nan 8.270 nan 0.000 0.469 372 V N 5.321 125.304 119.914 0.115 0.000 2.394 372 V HA 0.368 4.487 4.120 -0.001 0.000 0.282 372 V C -0.315 175.856 176.094 0.127 0.000 1.031 372 V CA -0.728 61.641 62.300 0.115 0.000 0.881 372 V CB 1.366 33.245 31.823 0.094 0.000 0.982 372 V HN 0.793 nan 8.190 nan 0.000 0.451 373 N N 2.808 121.583 118.700 0.124 0.000 2.725 373 N HA 0.301 5.040 4.740 -0.001 0.000 0.248 373 N C -1.161 174.396 175.510 0.078 0.000 1.402 373 N CA 0.069 53.179 53.050 0.099 0.000 0.766 373 N CB 1.382 39.930 38.487 0.103 0.000 1.223 373 N HN 0.615 nan 8.380 nan 0.000 0.515 374 S N 1.681 117.426 115.700 0.075 0.000 2.571 374 S HA 0.558 5.027 4.470 -0.001 0.000 0.284 374 S C -2.233 172.407 174.600 0.067 0.000 1.128 374 S CA -1.364 56.877 58.200 0.068 0.000 0.970 374 S CB 1.487 64.732 63.200 0.074 0.000 1.039 374 S HN 0.277 nan 8.310 nan 0.000 0.485 375 P HA 0.254 nan 4.420 nan 0.000 0.241 375 P C 0.895 178.253 177.300 0.097 0.000 1.191 375 P CA 1.028 64.165 63.100 0.061 0.000 0.771 375 P CB -0.198 31.530 31.700 0.047 0.000 0.929 376 G N -1.257 107.595 108.800 0.086 0.000 2.418 376 G HA2 0.260 4.219 3.960 -0.001 0.000 0.206 376 G HA3 0.260 4.219 3.960 -0.001 0.000 0.206 376 G C -0.038 174.876 174.900 0.023 0.000 1.202 376 G CA -0.080 45.064 45.100 0.074 0.000 1.061 376 G HN 0.588 nan 8.290 nan 0.000 0.563 377 G N -1.434 107.359 108.800 -0.012 0.000 2.272 377 G HA2 0.507 4.467 3.960 -0.001 0.000 0.068 377 G HA3 0.507 4.467 3.960 -0.001 0.000 0.068 377 G C 0.341 175.161 174.900 -0.133 0.000 1.073 377 G CA 1.131 46.198 45.100 -0.055 0.000 1.154 377 G HN 2.369 nan 8.290 nan 0.000 0.429 378 S N 0.524 116.129 115.700 -0.158 0.000 2.474 378 S HA 0.440 4.909 4.470 -0.001 0.000 0.276 378 S C 1.688 176.090 174.600 -0.329 0.000 1.227 378 S CA 0.358 58.433 58.200 -0.209 0.000 1.050 378 S CB 1.251 64.354 63.200 -0.162 0.000 0.939 378 S HN 1.170 nan 8.310 nan 0.000 0.490 379 V N 5.194 124.862 119.914 -0.409 0.000 2.392 379 V HA -0.199 3.920 4.120 -0.001 0.000 0.249 379 V C 2.839 178.602 176.094 -0.552 0.000 1.059 379 V CA 2.498 64.402 62.300 -0.661 0.000 1.051 379 V CB -1.618 29.848 31.823 -0.595 0.000 0.658 379 V HN 1.050 nan 8.190 nan 0.000 0.455 380 T N -1.091 113.269 114.554 -0.324 0.000 2.777 380 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 380 T C 1.977 176.551 174.700 -0.209 0.000 1.040 380 T CA 1.370 63.336 62.100 -0.225 0.000 1.141 380 T CB -0.524 68.256 68.868 -0.147 0.000 0.868 380 T HN 0.477 nan 8.240 nan 0.000 0.444 381 A N 1.747 124.442 122.820 -0.210 0.000 1.908 381 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 381 A C 2.710 180.179 177.584 -0.192 0.000 1.181 381 A CA 2.078 54.015 52.037 -0.167 0.000 0.627 381 A CB -1.151 17.764 19.000 -0.141 0.000 0.818 381 A HN 0.538 nan 8.150 nan 0.000 0.445 382 S N -0.752 114.751 115.700 -0.327 0.000 2.355 382 S HA -0.144 4.325 4.470 -0.001 0.000 0.222 382 S C 1.971 176.439 174.600 -0.220 0.000 1.031 382 S CA 1.500 59.478 58.200 -0.369 0.000 0.993 382 S CB -0.301 62.402 63.200 -0.828 0.000 0.859 382 S HN 0.697 nan 8.310 nan 0.000 0.453 383 E N 1.227 121.269 120.200 -0.263 0.000 2.070 383 E HA -0.134 4.216 4.350 -0.001 0.000 0.197 383 E C 1.894 178.507 176.600 0.021 0.000 1.004 383 E CA 1.237 57.660 56.400 0.038 0.000 0.805 383 E CB -0.441 29.265 29.700 0.010 0.000 0.744 383 E HN 0.225 nan 8.360 nan 0.000 0.451 384 V N 0.573 120.462 119.914 -0.043 0.000 2.287 384 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 384 V C 2.340 178.420 176.094 -0.024 0.000 1.053 384 V CA 2.034 64.313 62.300 -0.035 0.000 1.027 384 V CB -0.443 31.348 31.823 -0.054 0.000 0.646 384 V HN 0.344 nan 8.190 nan 0.000 0.447 385 I N -0.620 119.933 120.570 -0.029 0.000 2.179 385 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 385 I C 2.744 178.863 176.117 0.003 0.000 1.088 385 I CA 1.824 63.112 61.300 -0.020 0.000 1.357 385 I CB -0.558 37.430 38.000 -0.021 0.000 1.051 385 I HN 0.238 nan 8.210 nan 0.000 0.409 386 R N 1.317 121.847 120.500 0.050 0.000 2.094 386 R HA -0.254 4.085 4.340 -0.001 0.000 0.239 386 R C 2.412 178.724 176.300 0.019 0.000 1.137 386 R CA 2.050 58.188 56.100 0.063 0.000 0.943 386 R CB -0.411 29.988 30.300 0.166 0.000 0.850 386 R HN 0.383 nan 8.270 nan 0.000 0.433 387 A N 1.256 124.090 122.820 0.023 0.000 1.903 387 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 387 A C 2.043 179.618 177.584 -0.015 0.000 1.191 387 A CA 1.843 53.882 52.037 0.003 0.000 0.638 387 A CB -0.568 18.434 19.000 0.003 0.000 0.823 387 A HN 0.424 nan 8.150 nan 0.000 0.451 388 E N -0.532 119.655 120.200 -0.022 0.000 2.031 388 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 388 E C 2.082 178.656 176.600 -0.042 0.000 0.994 388 E CA 0.910 57.288 56.400 -0.037 0.000 0.800 388 E CB -0.493 29.177 29.700 -0.049 0.000 0.752 388 E HN 0.409 nan 8.360 nan 0.000 0.447 389 L N 0.948 122.146 121.223 -0.042 0.000 2.013 389 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 389 L C 2.420 179.267 176.870 -0.038 0.000 1.073 389 L CA 1.952 56.765 54.840 -0.045 0.000 0.753 389 L CB -1.674 40.359 42.059 -0.042 0.000 0.890 389 L HN 0.059 nan 8.230 nan 0.000 0.432 390 A N -0.988 121.812 122.820 -0.033 0.000 1.972 390 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 390 A C 2.482 180.049 177.584 -0.028 0.000 1.169 390 A CA 1.777 53.794 52.037 -0.032 0.000 0.635 390 A CB -0.638 18.343 19.000 -0.031 0.000 0.810 390 A HN 0.420 nan 8.150 nan 0.000 0.446 391 A N -0.113 122.691 122.820 -0.028 0.000 1.872 391 A HA 0.238 4.557 4.320 -0.001 0.000 0.214 391 A C 2.532 180.099 177.584 -0.028 0.000 1.187 391 A CA 1.883 53.904 52.037 -0.026 0.000 0.614 391 A CB -1.158 17.826 19.000 -0.026 0.000 0.826 391 A HN 1.064 nan 8.150 nan 0.000 0.442 392 A N 0.106 122.905 122.820 -0.036 0.000 1.869 392 A HA -0.286 4.033 4.320 -0.001 0.000 0.218 392 A C 2.287 179.853 177.584 -0.029 0.000 1.203 392 A CA 2.280 54.294 52.037 -0.037 0.000 0.638 392 A CB -0.658 18.311 19.000 -0.050 0.000 0.831 392 A HN 0.579 nan 8.150 nan 0.000 0.450 393 R N -0.502 119.981 120.500 -0.028 0.000 2.091 393 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 393 R C 2.266 178.556 176.300 -0.017 0.000 1.136 393 R CA 1.570 57.658 56.100 -0.021 0.000 0.959 393 R CB -0.457 29.831 30.300 -0.020 0.000 0.856 393 R HN 0.453 nan 8.270 nan 0.000 0.437 394 A N 0.614 123.423 122.820 -0.018 0.000 2.019 394 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 394 A C 2.194 179.771 177.584 -0.013 0.000 1.164 394 A CA 1.457 53.486 52.037 -0.014 0.000 0.644 394 A CB -0.558 18.433 19.000 -0.015 0.000 0.805 394 A HN 0.530 nan 8.150 nan 0.000 0.449 395 A N -1.684 121.127 122.820 -0.015 0.000 2.239 395 A HA 0.369 4.688 4.320 -0.001 0.000 0.209 395 A C 1.820 179.397 177.584 -0.011 0.000 1.171 395 A CA 1.304 53.334 52.037 -0.013 0.000 0.768 395 A CB -1.018 17.973 19.000 -0.016 0.000 0.790 395 A HN 1.891 nan 8.150 nan 0.000 0.478 396 G N -0.851 107.942 108.800 -0.012 0.000 2.141 396 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.242 396 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.242 396 G C 0.017 174.909 174.900 -0.013 0.000 0.982 396 G CA 0.255 45.349 45.100 -0.010 0.000 0.662 396 G HN 0.547 nan 8.290 nan 0.000 0.527 397 K N 1.830 122.220 120.400 -0.017 0.000 2.268 397 K HA 0.380 4.699 4.320 -0.001 0.000 0.276 397 K C -2.525 174.061 176.600 -0.024 0.000 1.080 397 K CA -1.797 54.477 56.287 -0.022 0.000 0.910 397 K CB 2.048 34.532 32.500 -0.026 0.000 1.163 397 K HN 0.120 nan 8.250 nan 0.000 0.465 398 P HA -0.048 nan 4.420 nan 0.000 0.265 398 P C -0.314 176.971 177.300 -0.025 0.000 1.187 398 P CA -0.118 62.969 63.100 -0.020 0.000 0.766 398 P CB 0.604 32.288 31.700 -0.025 0.000 0.820 399 V N 4.597 124.501 119.914 -0.016 0.000 2.384 399 V HA 0.263 4.383 4.120 -0.001 0.000 0.287 399 V C 0.231 176.327 176.094 0.004 0.000 1.020 399 V CA -0.572 61.716 62.300 -0.020 0.000 0.850 399 V CB 2.030 33.837 31.823 -0.026 0.000 0.987 399 V HN 0.247 nan 8.190 nan 0.000 0.436 400 V N 5.778 125.692 119.914 -0.001 0.000 2.487 400 V HA 0.461 4.581 4.120 -0.001 0.000 0.298 400 V C -0.119 175.988 176.094 0.021 0.000 1.028 400 V CA -0.722 61.600 62.300 0.037 0.000 0.860 400 V CB 1.999 33.839 31.823 0.028 0.000 0.991 400 V HN 0.564 nan 8.190 nan 0.000 0.427 401 V N 3.603 123.540 119.914 0.038 0.000 2.509 401 V HA 0.435 4.555 4.120 -0.001 0.000 0.284 401 V C 0.468 176.602 176.094 0.066 0.000 1.047 401 V CA 0.025 62.343 62.300 0.031 0.000 0.952 401 V CB 1.866 33.695 31.823 0.009 0.000 0.988 401 V HN 0.905 nan 8.190 nan 0.000 0.469 402 S N 6.814 122.569 115.700 0.092 0.000 2.498 402 S HA 0.607 5.076 4.470 -0.001 0.000 0.324 402 S C -0.515 174.167 174.600 0.136 0.000 1.071 402 S CA -0.769 57.516 58.200 0.142 0.000 1.113 402 S CB 0.328 63.693 63.200 0.274 0.000 0.976 402 S HN 0.625 nan 8.310 nan 0.000 0.462 403 M N 4.377 124.045 119.600 0.113 0.000 2.144 403 M HA 0.400 4.879 4.480 -0.001 0.000 0.356 403 M C 0.794 177.153 176.300 0.099 0.000 1.217 403 M CA -0.454 54.911 55.300 0.109 0.000 1.087 403 M CB 1.439 34.103 32.600 0.107 0.000 1.609 403 M HN 0.781 nan 8.290 nan 0.000 0.467 404 G N 1.193 110.052 108.800 0.099 0.000 5.001 404 G HA2 0.527 4.487 3.960 -0.001 0.000 0.304 404 G HA3 0.527 4.487 3.960 -0.001 0.000 0.304 404 G C 0.491 175.424 174.900 0.055 0.000 1.400 404 G CA 0.200 45.345 45.100 0.075 0.000 1.029 404 G HN 1.013 nan 8.290 nan 0.000 0.584 405 G N 0.453 109.279 108.800 0.044 0.000 3.426 405 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.196 405 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.196 405 G C -0.100 174.796 174.900 -0.006 0.000 1.763 405 G CA 0.077 45.187 45.100 0.017 0.000 1.210 405 G HN 0.668 nan 8.290 nan 0.000 0.472 406 M N 1.151 120.760 119.600 0.014 0.000 2.393 406 M HA 0.734 5.214 4.480 -0.001 0.000 0.299 406 M C -1.219 175.118 176.300 0.062 0.000 1.103 406 M CA 0.048 55.353 55.300 0.009 0.000 0.910 406 M CB 2.315 34.908 32.600 -0.012 0.000 1.659 406 M HN 1.192 nan 8.290 nan 0.000 0.445 407 A N 3.380 126.252 122.820 0.087 0.000 3.422 407 A HA 0.780 5.100 4.320 -0.001 0.000 0.271 407 A C -1.131 176.577 177.584 0.207 0.000 1.104 407 A CA -0.184 51.944 52.037 0.150 0.000 0.899 407 A CB 0.193 19.297 19.000 0.173 0.000 1.309 407 A HN 0.915 nan 8.150 nan 0.000 0.580 408 A N -0.369 122.552 122.820 0.169 0.000 2.387 408 A HA 0.923 5.243 4.320 -0.001 0.000 0.303 408 A C 0.977 178.714 177.584 0.256 0.000 1.145 408 A CA 0.368 52.516 52.037 0.185 0.000 0.801 408 A CB 0.888 19.928 19.000 0.067 0.000 1.342 408 A HN 1.723 nan 8.150 nan 0.000 0.440 409 S N -0.615 115.279 115.700 0.323 0.000 4.150 409 S HA -0.303 4.167 4.470 -0.001 0.000 0.541 409 S C 1.714 176.653 174.600 0.566 0.000 1.860 409 S CA 2.970 61.456 58.200 0.477 0.000 4.226 409 S CB -1.612 61.797 63.200 0.349 0.000 0.445 409 S HN 2.317 nan 8.310 nan 0.000 0.470 410 G N 0.583 109.567 108.800 0.306 0.000 2.462 410 G HA2 0.080 4.039 3.960 -0.001 0.000 0.220 410 G HA3 0.080 4.039 3.960 -0.001 0.000 0.220 410 G C 1.288 176.308 174.900 0.200 0.000 1.121 410 G CA 1.320 46.509 45.100 0.148 0.000 0.758 410 G HN 1.147 nan 8.290 nan 0.000 0.559 411 G N -0.891 108.040 108.800 0.218 0.000 2.572 411 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.216 411 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.216 411 G C 1.431 176.491 174.900 0.267 0.000 1.133 411 G CA 0.674 45.891 45.100 0.196 0.000 0.791 411 G HN 0.433 nan 8.290 nan 0.000 0.538 412 Y N -0.678 119.780 120.300 0.264 0.000 2.397 412 Y HA 0.112 4.662 4.550 -0.001 0.000 0.292 412 Y C 2.305 178.403 175.900 0.330 0.000 1.115 412 Y CA 0.202 58.464 58.100 0.270 0.000 1.208 412 Y CB -0.119 38.514 38.460 0.288 0.000 1.046 412 Y HN 0.251 nan 8.280 nan 0.000 0.552 413 W N 2.171 123.592 121.300 0.201 0.000 2.335 413 W HA -0.255 4.405 4.660 -0.000 0.000 0.311 413 W C 2.058 178.508 176.519 -0.114 0.000 1.213 413 W CA 2.848 60.181 57.345 -0.020 0.000 1.274 413 W CB -0.733 28.551 29.460 -0.293 0.000 1.148 413 W HN 0.312 nan 8.180 nan 0.000 0.498 414 I N -0.751 119.974 120.570 0.258 0.000 2.614 414 I HA -0.162 4.007 4.170 -0.001 0.000 0.258 414 I C 1.862 177.979 176.117 0.001 0.000 1.189 414 I CA 1.692 63.067 61.300 0.126 0.000 1.462 414 I CB -0.835 37.210 38.000 0.075 0.000 1.092 414 I HN -0.266 nan 8.210 nan 0.000 0.442 415 S N 1.072 116.720 115.700 -0.087 0.000 2.496 415 S HA -0.081 4.389 4.470 -0.001 0.000 0.224 415 S C 2.026 176.476 174.600 -0.249 0.000 0.996 415 S CA 1.324 59.423 58.200 -0.169 0.000 0.927 415 S CB -0.435 62.633 63.200 -0.219 0.000 0.774 415 S HN 0.752 nan 8.310 nan 0.000 0.524 416 T N 1.311 115.675 114.554 -0.318 0.000 2.759 416 T HA -0.056 4.293 4.350 -0.001 0.000 0.269 416 T C -0.711 173.878 174.700 -0.185 0.000 1.042 416 T CA 1.068 62.984 62.100 -0.307 0.000 1.140 416 T CB -1.801 66.890 68.868 -0.295 0.000 0.864 416 T HN 0.348 nan 8.240 nan 0.000 0.455 417 P HA 0.331 nan 4.420 nan 0.000 0.245 417 P C 0.305 177.564 177.300 -0.069 0.000 1.212 417 P CA 0.150 63.194 63.100 -0.094 0.000 0.774 417 P CB -0.342 31.317 31.700 -0.068 0.000 0.999 418 A N 0.767 123.544 122.820 -0.071 0.000 2.425 418 A HA 0.128 4.448 4.320 -0.001 0.000 0.249 418 A C 1.550 179.137 177.584 0.005 0.000 1.084 418 A CA -0.362 51.656 52.037 -0.031 0.000 0.781 418 A CB -0.115 18.869 19.000 -0.028 0.000 1.019 418 A HN 0.030 nan 8.150 nan 0.000 0.490 419 N N -0.438 118.287 118.700 0.041 0.000 2.094 419 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 419 N C -0.636 174.992 175.510 0.197 0.000 1.023 419 N CA 1.788 54.895 53.050 0.096 0.000 0.857 419 N CB -0.122 38.414 38.487 0.080 0.000 1.013 419 N HN 0.719 nan 8.380 nan 0.000 0.426 420 Y N -0.355 119.938 120.300 -0.011 0.000 2.442 420 Y HA 0.424 4.974 4.550 -0.001 0.000 0.330 420 Y C -1.300 174.599 175.900 -0.002 0.000 1.100 420 Y CA -0.699 57.400 58.100 -0.001 0.000 1.034 420 Y CB 1.280 39.737 38.460 -0.005 0.000 1.285 420 Y HN -0.205 nan 8.280 nan 0.000 0.440 421 I N 6.790 127.225 120.570 -0.226 0.000 2.382 421 I HA 0.469 4.639 4.170 -0.001 0.000 0.286 421 I C -0.946 175.079 176.117 -0.153 0.000 1.002 421 I CA -1.089 60.142 61.300 -0.116 0.000 1.135 421 I CB 1.589 39.549 38.000 -0.067 0.000 1.288 421 I HN 0.378 nan 8.210 nan 0.000 0.448 422 V N 6.326 126.236 119.914 -0.006 0.000 2.459 422 V HA 0.923 5.042 4.120 -0.001 0.000 0.295 422 V C -0.350 175.775 176.094 0.052 0.000 1.029 422 V CA -0.020 62.296 62.300 0.028 0.000 0.874 422 V CB 1.484 33.372 31.823 0.108 0.000 0.985 422 V HN 0.810 nan 8.190 nan 0.000 0.438 423 A N 4.680 127.529 122.820 0.048 0.000 2.423 423 A HA 0.707 5.026 4.320 -0.001 0.000 0.304 423 A C -0.503 177.119 177.584 0.063 0.000 1.104 423 A CA -0.903 51.172 52.037 0.064 0.000 0.757 423 A CB 1.327 20.368 19.000 0.068 0.000 1.313 423 A HN 1.044 nan 8.150 nan 0.000 0.423 424 N N 0.934 119.675 118.700 0.068 0.000 2.529 424 N HA 0.394 5.133 4.740 -0.001 0.000 0.278 424 N C -1.812 173.749 175.510 0.085 0.000 1.146 424 N CA -1.600 51.495 53.050 0.074 0.000 0.980 424 N CB 1.232 39.762 38.487 0.073 0.000 1.124 424 N HN 0.218 nan 8.380 nan 0.000 0.458 425 P HA -0.115 nan 4.420 nan 0.000 0.217 425 P C 0.266 177.642 177.300 0.126 0.000 1.148 425 P CA 1.310 64.472 63.100 0.103 0.000 0.828 425 P CB 0.214 31.977 31.700 0.105 0.000 0.783 426 S N -2.096 113.684 115.700 0.133 0.000 2.593 426 S HA 0.045 4.514 4.470 -0.001 0.000 0.217 426 S C 0.775 175.439 174.600 0.105 0.000 0.966 426 S CA 0.350 58.640 58.200 0.150 0.000 0.914 426 S CB -0.871 62.430 63.200 0.168 0.000 0.776 426 S HN 0.200 nan 8.310 nan 0.000 0.523 427 T N 2.784 117.389 114.554 0.084 0.000 2.932 427 T HA 0.234 4.584 4.350 -0.001 0.000 0.312 427 T C -0.052 174.664 174.700 0.026 0.000 1.071 427 T CA 0.290 62.422 62.100 0.053 0.000 1.128 427 T CB 0.332 69.239 68.868 0.066 0.000 0.984 427 T HN 0.180 nan 8.240 nan 0.000 0.549 428 L N 2.840 124.040 121.223 -0.039 0.000 2.287 428 L HA 0.544 4.884 4.340 -0.001 0.000 0.287 428 L C 0.656 177.495 176.870 -0.052 0.000 1.022 428 L CA -0.369 54.397 54.840 -0.124 0.000 0.814 428 L CB 1.575 43.434 42.059 -0.334 0.000 1.217 428 L HN 0.709 nan 8.230 nan 0.000 0.420 429 T N 1.049 115.599 114.554 -0.007 0.000 2.572 429 T HA 0.706 5.056 4.350 -0.001 0.000 0.274 429 T C 0.679 175.383 174.700 0.006 0.000 0.949 429 T CA 0.476 62.603 62.100 0.045 0.000 1.126 429 T CB 1.038 69.969 68.868 0.105 0.000 1.478 429 T HN 0.835 nan 8.240 nan 0.000 0.492 430 G N 1.284 110.033 108.800 -0.085 0.000 2.665 430 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.326 430 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.326 430 G C 0.729 175.587 174.900 -0.069 0.000 1.231 430 G CA 1.356 46.362 45.100 -0.157 0.000 0.992 430 G HN 2.109 nan 8.290 nan 0.000 0.549 431 S N -1.168 114.480 115.700 -0.088 0.000 3.614 431 S HA -0.219 4.251 4.470 -0.001 0.000 0.360 431 S C 0.542 175.165 174.600 0.039 0.000 1.023 431 S CA 1.089 59.278 58.200 -0.019 0.000 1.114 431 S CB -1.601 61.617 63.200 0.029 0.000 0.907 431 S HN 1.248 nan 8.310 nan 0.000 0.470 432 I N 2.082 122.586 120.570 -0.111 0.000 2.357 432 I HA 0.484 4.654 4.170 -0.001 0.000 0.300 432 I C 1.155 177.203 176.117 -0.114 0.000 1.159 432 I CA 0.609 61.638 61.300 -0.453 0.000 1.339 432 I CB -0.025 37.584 38.000 -0.652 0.000 1.458 432 I HN 0.476 nan 8.210 nan 0.000 0.577 433 G N 6.297 115.219 108.800 0.205 0.000 2.548 433 G HA2 0.685 4.645 3.960 -0.001 0.000 0.301 433 G HA3 0.685 4.645 3.960 -0.001 0.000 0.301 433 G C -1.759 173.508 174.900 0.611 0.000 1.349 433 G CA -0.462 44.937 45.100 0.498 0.000 0.792 433 G HN 0.330 nan 8.290 nan 0.000 0.481 434 I N -0.074 120.813 120.570 0.529 0.000 2.787 434 I HA 0.693 4.863 4.170 -0.001 0.000 0.294 434 I C -1.764 174.612 176.117 0.432 0.000 1.365 434 I CA -1.132 60.449 61.300 0.468 0.000 1.029 434 I CB 2.070 40.348 38.000 0.464 0.000 1.313 434 I HN 0.749 nan 8.210 nan 0.000 0.431 435 F N 5.226 125.274 119.950 0.164 0.000 2.668 435 F HA 0.967 5.493 4.527 -0.001 0.000 0.309 435 F C -0.848 175.018 175.800 0.110 0.000 1.117 435 F CA -0.735 57.343 58.000 0.131 0.000 0.951 435 F CB 1.592 40.657 39.000 0.108 0.000 1.323 435 F HN 0.460 nan 8.300 nan 0.000 0.451 436 G N 0.862 109.750 108.800 0.146 0.000 2.746 436 G HA2 0.610 4.569 3.960 -0.001 0.000 0.297 436 G HA3 0.610 4.569 3.960 -0.001 0.000 0.297 436 G C -2.548 172.481 174.900 0.215 0.000 1.426 436 G CA -1.025 44.103 45.100 0.047 0.000 0.989 436 G HN 0.831 nan 8.290 nan 0.000 0.520 437 V N 2.888 122.846 119.914 0.074 0.000 2.577 437 V HA 0.536 4.656 4.120 -0.001 0.000 0.303 437 V C -0.772 175.299 176.094 -0.039 0.000 1.042 437 V CA -0.827 61.437 62.300 -0.061 0.000 0.872 437 V CB 1.760 33.327 31.823 -0.426 0.000 0.998 437 V HN 0.641 nan 8.190 nan 0.000 0.423 438 I N 4.219 124.822 120.570 0.056 0.000 2.410 438 I HA 0.443 4.613 4.170 -0.001 0.000 0.286 438 I C 0.288 176.460 176.117 0.092 0.000 1.009 438 I CA -0.123 61.239 61.300 0.105 0.000 1.111 438 I CB 2.093 40.228 38.000 0.225 0.000 1.262 438 I HN 0.772 nan 8.210 nan 0.000 0.443 439 T N 2.091 116.662 114.554 0.028 0.000 2.859 439 T HA 0.807 5.157 4.350 -0.001 0.000 0.281 439 T C 0.068 174.811 174.700 0.071 0.000 1.005 439 T CA -0.592 61.533 62.100 0.042 0.000 1.025 439 T CB 2.061 70.944 68.868 0.024 0.000 0.977 439 T HN 0.677 nan 8.240 nan 0.000 0.458 440 T N -1.501 113.103 114.554 0.083 0.000 2.901 440 T HA 0.610 4.959 4.350 -0.001 0.000 0.293 440 T C 0.454 175.180 174.700 0.044 0.000 1.084 440 T CA -0.291 61.850 62.100 0.068 0.000 1.008 440 T CB 1.592 70.518 68.868 0.096 0.000 1.170 440 T HN 1.304 nan 8.240 nan 0.000 0.509 441 V N -0.957 118.974 119.914 0.029 0.000 3.166 441 V HA 0.342 4.461 4.120 -0.001 0.000 0.332 441 V C 1.777 177.871 176.094 0.000 0.000 1.434 441 V CA 0.353 62.659 62.300 0.011 0.000 1.121 441 V CB -0.140 31.685 31.823 0.003 0.000 1.062 441 V HN 0.956 nan 8.190 nan 0.000 0.489 442 E N 1.949 122.156 120.200 0.013 0.000 2.097 442 E HA -0.285 4.064 4.350 -0.001 0.000 0.196 442 E C 1.193 177.784 176.600 -0.016 0.000 1.000 442 E CA 2.214 58.618 56.400 0.006 0.000 0.804 442 E CB -0.609 29.111 29.700 0.033 0.000 0.740 442 E HN 0.635 nan 8.360 nan 0.000 0.454 443 N N 0.880 119.578 118.700 -0.003 0.000 2.300 443 N HA -0.019 4.721 4.740 -0.001 0.000 0.179 443 N C 1.967 177.460 175.510 -0.028 0.000 1.016 443 N CA 1.333 54.376 53.050 -0.011 0.000 0.876 443 N CB -0.265 38.225 38.487 0.005 0.000 0.979 443 N HN 0.183 nan 8.380 nan 0.000 0.432 444 S N 1.573 117.258 115.700 -0.024 0.000 2.348 444 S HA -0.003 4.467 4.470 -0.001 0.000 0.221 444 S C 2.153 176.722 174.600 -0.052 0.000 1.033 444 S CA 0.753 58.937 58.200 -0.028 0.000 1.010 444 S CB -0.436 62.754 63.200 -0.017 0.000 0.891 444 S HN 0.224 nan 8.310 nan 0.000 0.442 445 L N 1.451 122.633 121.223 -0.068 0.000 2.046 445 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 445 L C 2.492 179.243 176.870 -0.198 0.000 1.077 445 L CA 1.708 56.483 54.840 -0.110 0.000 0.747 445 L CB -0.800 41.197 42.059 -0.103 0.000 0.896 445 L HN 0.320 nan 8.230 nan 0.000 0.432 446 D N 0.130 120.393 120.400 -0.229 0.000 2.133 446 D HA -0.233 4.407 4.640 -0.001 0.000 0.195 446 D C 2.209 178.414 176.300 -0.159 0.000 0.997 446 D CA 1.626 55.437 54.000 -0.315 0.000 0.840 446 D CB 0.091 40.816 40.800 -0.124 0.000 0.947 446 D HN 0.332 nan 8.370 nan 0.000 0.452 447 S N -0.059 115.591 115.700 -0.083 0.000 2.453 447 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 447 S C 1.918 176.496 174.600 -0.036 0.000 1.005 447 S CA 0.783 58.960 58.200 -0.039 0.000 0.949 447 S CB -0.830 62.356 63.200 -0.022 0.000 0.774 447 S HN 0.610 nan 8.310 nan 0.000 0.510 448 I N -2.473 118.063 120.570 -0.057 0.000 3.884 448 I HA 0.624 4.793 4.170 -0.001 0.000 0.330 448 I C 1.147 177.237 176.117 -0.046 0.000 1.451 448 I CA -0.067 61.209 61.300 -0.040 0.000 1.165 448 I CB -0.459 37.521 38.000 -0.034 0.000 1.097 448 I HN 0.267 nan 8.210 nan 0.000 0.404 449 G N 1.476 110.235 108.800 -0.068 0.000 2.168 449 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.257 449 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.257 449 G C 0.097 174.961 174.900 -0.060 0.000 0.997 449 G CA 0.309 45.389 45.100 -0.032 0.000 0.708 449 G HN 0.375 nan 8.290 nan 0.000 0.520 450 V N 2.271 122.079 119.914 -0.176 0.000 2.407 450 V HA 0.554 4.674 4.120 -0.001 0.000 0.278 450 V C 0.471 176.371 176.094 -0.323 0.000 1.037 450 V CA -0.688 61.532 62.300 -0.134 0.000 0.900 450 V CB 1.298 33.074 31.823 -0.077 0.000 0.983 450 V HN 0.392 nan 8.190 nan 0.000 0.459 451 H N 2.037 121.110 119.070 0.005 0.000 2.771 451 H HA 0.653 5.209 4.556 -0.000 0.000 0.367 451 H C -0.303 175.028 175.328 0.005 0.000 1.172 451 H CA -0.557 55.495 56.048 0.006 0.000 1.186 451 H CB 2.536 32.302 29.762 0.006 0.000 1.790 451 H HN 0.673 nan 8.280 nan 0.000 0.556 452 T N -0.923 113.714 114.554 0.138 0.000 2.908 452 T HA 0.458 4.808 4.350 -0.001 0.000 0.290 452 T C -0.554 174.188 174.700 0.070 0.000 1.034 452 T CA -0.870 61.276 62.100 0.078 0.000 1.010 452 T CB 2.671 71.567 68.868 0.046 0.000 1.068 452 T HN 0.496 nan 8.240 nan 0.000 0.481 453 D N -0.962 119.464 120.400 0.043 0.000 2.599 453 D HA 0.753 5.393 4.640 -0.001 0.000 0.252 453 D C -0.366 175.944 176.300 0.017 0.000 1.232 453 D CA 0.159 54.175 54.000 0.027 0.000 0.819 453 D CB 2.106 42.916 40.800 0.017 0.000 1.401 453 D HN 1.139 nan 8.370 nan 0.000 0.429 454 G N -0.763 108.043 108.800 0.011 0.000 2.320 454 G HA2 0.504 4.464 3.960 -0.001 0.000 0.296 454 G HA3 0.504 4.464 3.960 -0.001 0.000 0.296 454 G C -1.445 173.457 174.900 0.003 0.000 1.306 454 G CA -0.053 45.051 45.100 0.006 0.000 0.836 454 G HN 0.911 nan 8.290 nan 0.000 0.517 455 V N -1.584 118.330 119.914 0.001 0.000 2.680 455 V HA 0.974 5.093 4.120 -0.001 0.000 0.309 455 V C 0.013 176.106 176.094 -0.002 0.000 1.052 455 V CA 0.045 62.345 62.300 -0.001 0.000 0.908 455 V CB 1.162 32.984 31.823 -0.002 0.000 1.001 455 V HN 1.960 nan 8.190 nan 0.000 0.431 456 S N 1.489 117.187 115.700 -0.003 0.000 2.627 456 S HA 0.622 5.092 4.470 -0.001 0.000 0.283 456 S C 0.559 175.156 174.600 -0.006 0.000 1.127 456 S CA 0.050 58.247 58.200 -0.005 0.000 0.863 456 S CB 1.701 64.898 63.200 -0.006 0.000 1.121 456 S HN 1.426 nan 8.310 nan 0.000 0.479 457 T N -1.930 112.619 114.554 -0.007 0.000 3.037 457 T HA 0.321 4.670 4.350 -0.001 0.000 0.252 457 T C 0.692 175.387 174.700 -0.008 0.000 1.073 457 T CA 0.577 62.672 62.100 -0.007 0.000 1.091 457 T CB -0.131 68.733 68.868 -0.008 0.000 0.935 457 T HN 0.829 nan 8.240 nan 0.000 0.488 458 S N 0.808 116.502 115.700 -0.010 0.000 2.540 458 S HA 0.533 5.003 4.470 -0.001 0.000 0.275 458 S C -2.557 172.035 174.600 -0.013 0.000 1.123 458 S CA -1.375 56.818 58.200 -0.011 0.000 0.907 458 S CB 1.932 65.124 63.200 -0.014 0.000 1.081 458 S HN -0.133 nan 8.310 nan 0.000 0.476 459 P HA -0.025 nan 4.420 nan 0.000 0.219 459 P C 1.263 178.550 177.300 -0.021 0.000 1.146 459 P CA 0.558 63.650 63.100 -0.014 0.000 0.808 459 P CB 0.076 31.769 31.700 -0.012 0.000 0.779 460 L N -1.049 120.159 121.223 -0.025 0.000 2.447 460 L HA -0.118 4.222 4.340 -0.001 0.000 0.225 460 L C 2.095 178.946 176.870 -0.033 0.000 1.148 460 L CA 1.468 56.288 54.840 -0.033 0.000 0.808 460 L CB -1.575 40.464 42.059 -0.033 0.000 0.928 460 L HN -0.036 nan 8.230 nan 0.000 0.448 461 A N -1.799 121.006 122.820 -0.025 0.000 2.169 461 A HA 0.057 4.377 4.320 -0.001 0.000 0.210 461 A C 0.919 178.492 177.584 -0.019 0.000 1.168 461 A CA 0.031 52.054 52.037 -0.022 0.000 0.813 461 A CB -0.218 18.772 19.000 -0.018 0.000 0.861 461 A HN 0.332 nan 8.150 nan 0.000 0.481 462 D N 0.553 120.942 120.400 -0.017 0.000 3.032 462 D HA 0.299 4.938 4.640 -0.001 0.000 0.241 462 D C -0.616 175.673 176.300 -0.017 0.000 1.196 462 D CA 0.230 54.222 54.000 -0.012 0.000 0.927 462 D CB 0.326 41.122 40.800 -0.007 0.000 1.129 462 D HN 0.066 nan 8.370 nan 0.000 0.458 463 V N 0.919 120.819 119.914 -0.024 0.000 2.333 463 V HA 0.522 4.641 4.120 -0.001 0.000 0.274 463 V C 0.097 176.180 176.094 -0.018 0.000 1.028 463 V CA -0.366 61.918 62.300 -0.027 0.000 0.851 463 V CB 1.208 33.004 31.823 -0.045 0.000 1.000 463 V HN 0.218 nan 8.190 nan 0.000 0.456 464 S N 3.509 119.204 115.700 -0.009 0.000 2.537 464 S HA 0.449 4.918 4.470 -0.001 0.000 0.271 464 S C 0.524 175.128 174.600 0.006 0.000 1.148 464 S CA -0.583 57.615 58.200 -0.003 0.000 0.868 464 S CB 1.726 64.926 63.200 -0.001 0.000 1.115 464 S HN 0.600 nan 8.310 nan 0.000 0.461 465 I N 3.116 123.690 120.570 0.007 0.000 2.399 465 I HA -0.136 4.034 4.170 -0.001 0.000 0.254 465 I C 2.132 178.260 176.117 0.017 0.000 1.146 465 I CA 2.284 63.593 61.300 0.014 0.000 1.412 465 I CB 0.068 38.074 38.000 0.009 0.000 1.076 465 I HN 0.895 nan 8.210 nan 0.000 0.432 466 T N -2.044 112.518 114.554 0.013 0.000 3.107 466 T HA 0.200 4.549 4.350 -0.001 0.000 0.249 466 T C 0.799 175.511 174.700 0.020 0.000 1.096 466 T CA -0.344 61.763 62.100 0.012 0.000 1.012 466 T CB -0.118 68.754 68.868 0.008 0.000 0.977 466 T HN 0.168 nan 8.240 nan 0.000 0.527 467 R N 0.563 121.077 120.500 0.024 0.000 2.803 467 R HA 0.742 5.081 4.340 -0.001 0.000 0.276 467 R C -0.298 176.025 176.300 0.038 0.000 0.978 467 R CA -0.832 55.285 56.100 0.029 0.000 0.939 467 R CB 1.783 32.095 30.300 0.020 0.000 1.179 467 R HN 0.290 nan 8.270 nan 0.000 0.472 468 A N 2.097 124.944 122.820 0.045 0.000 2.520 468 A HA 0.059 4.379 4.320 -0.001 0.000 0.235 468 A C -0.149 177.453 177.584 0.030 0.000 1.065 468 A CA -0.246 51.827 52.037 0.060 0.000 0.764 468 A CB 0.091 19.126 19.000 0.059 0.000 1.002 468 A HN 0.524 nan 8.150 nan 0.000 0.502 469 L N 4.176 125.407 121.223 0.013 0.000 2.418 469 L HA 0.379 4.719 4.340 -0.001 0.000 0.274 469 L C -2.001 174.833 176.870 -0.060 0.000 1.135 469 L CA -1.340 53.450 54.840 -0.083 0.000 0.870 469 L CB 0.307 42.180 42.059 -0.310 0.000 1.154 469 L HN 0.432 nan 8.230 nan 0.000 0.462 470 P HA 0.254 nan 4.420 nan 0.000 0.275 470 P C -2.214 175.069 177.300 -0.028 0.000 1.228 470 P CA -1.388 61.698 63.100 -0.025 0.000 0.786 470 P CB 0.157 31.844 31.700 -0.021 0.000 0.927 471 P HA -0.183 nan 4.420 nan 0.000 0.219 471 P C 0.878 178.177 177.300 -0.001 0.000 1.146 471 P CA 1.470 64.574 63.100 0.006 0.000 0.808 471 P CB 0.232 31.942 31.700 0.017 0.000 0.779 472 E N 0.535 120.728 120.200 -0.011 0.000 2.110 472 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 472 E C 2.281 178.859 176.600 -0.038 0.000 0.988 472 E CA 1.747 58.136 56.400 -0.019 0.000 0.804 472 E CB -1.129 28.559 29.700 -0.020 0.000 0.745 472 E HN 0.259 nan 8.360 nan 0.000 0.458 473 A N 0.450 123.238 122.820 -0.053 0.000 1.970 473 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 473 A C 2.010 179.520 177.584 -0.124 0.000 1.170 473 A CA 0.960 52.942 52.037 -0.091 0.000 0.645 473 A CB -0.291 18.653 19.000 -0.093 0.000 0.816 473 A HN 0.167 nan 8.150 nan 0.000 0.447 474 Q N -0.241 119.526 119.800 -0.056 0.000 2.061 474 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 474 Q C 2.023 178.037 176.000 0.024 0.000 0.984 474 Q CA 1.651 57.482 55.803 0.046 0.000 0.846 474 Q CB -0.386 28.427 28.738 0.126 0.000 0.902 474 Q HN 0.665 nan 8.270 nan 0.000 0.421 475 L N -0.177 121.050 121.223 0.007 0.000 2.046 475 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 475 L C 2.507 179.357 176.870 -0.034 0.000 1.077 475 L CA 0.775 55.621 54.840 0.010 0.000 0.747 475 L CB -0.323 41.741 42.059 0.009 0.000 0.896 475 L HN 0.338 nan 8.230 nan 0.000 0.432 476 M N -1.255 118.299 119.600 -0.077 0.000 2.132 476 M HA -0.185 4.294 4.480 -0.001 0.000 0.263 476 M C 2.358 178.558 176.300 -0.166 0.000 1.065 476 M CA 1.835 57.076 55.300 -0.099 0.000 1.122 476 M CB -0.706 31.834 32.600 -0.100 0.000 1.365 476 M HN 0.299 nan 8.290 nan 0.000 0.411 477 M N -0.338 119.075 119.600 -0.312 0.000 2.117 477 M HA -0.231 4.248 4.480 -0.001 0.000 0.262 477 M C 2.226 178.287 176.300 -0.399 0.000 1.065 477 M CA 1.645 56.600 55.300 -0.575 0.000 1.114 477 M CB -0.424 31.426 32.600 -1.250 0.000 1.361 477 M HN 0.164 nan 8.290 nan 0.000 0.408 478 Q N 0.767 120.478 119.800 -0.148 0.000 2.119 478 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 478 Q C 1.763 177.800 176.000 0.062 0.000 0.972 478 Q CA 1.482 57.359 55.803 0.123 0.000 0.847 478 Q CB -0.340 28.530 28.738 0.222 0.000 0.903 478 Q HN 0.498 nan 8.270 nan 0.000 0.433 479 L N -0.410 120.820 121.223 0.012 0.000 2.109 479 L HA -0.008 4.332 4.340 -0.001 0.000 0.207 479 L C 2.264 179.147 176.870 0.021 0.000 1.086 479 L CA 1.895 56.748 54.840 0.023 0.000 0.760 479 L CB -0.872 41.192 42.059 0.008 0.000 0.910 479 L HN 0.244 nan 8.230 nan 0.000 0.437 480 S N -0.686 115.001 115.700 -0.021 0.000 2.383 480 S HA -0.148 4.321 4.470 -0.001 0.000 0.229 480 S C 2.003 176.624 174.600 0.035 0.000 1.030 480 S CA 1.478 59.669 58.200 -0.015 0.000 1.002 480 S CB -0.342 62.813 63.200 -0.075 0.000 0.829 480 S HN 0.460 nan 8.310 nan 0.000 0.467 481 I N 1.076 121.677 120.570 0.051 0.000 2.406 481 I HA -0.031 4.138 4.170 -0.001 0.000 0.249 481 I C 2.280 178.504 176.117 0.178 0.000 1.122 481 I CA 1.081 62.454 61.300 0.122 0.000 1.431 481 I CB -0.738 37.354 38.000 0.153 0.000 1.087 481 I HN 0.443 nan 8.210 nan 0.000 0.424 482 E N 0.520 120.809 120.200 0.148 0.000 2.077 482 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 482 E C 1.917 178.633 176.600 0.194 0.000 0.989 482 E CA 1.072 57.573 56.400 0.167 0.000 0.800 482 E CB -0.152 29.619 29.700 0.118 0.000 0.746 482 E HN 0.441 nan 8.360 nan 0.000 0.452 483 N N 0.513 119.298 118.700 0.143 0.000 2.142 483 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 483 N C 2.043 177.651 175.510 0.163 0.000 1.023 483 N CA 1.365 54.492 53.050 0.128 0.000 0.852 483 N CB -0.087 38.449 38.487 0.082 0.000 0.998 483 N HN 0.147 nan 8.380 nan 0.000 0.424 484 G N -0.425 108.488 108.800 0.188 0.000 2.422 484 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 484 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 484 G C 1.424 176.536 174.900 0.352 0.000 1.146 484 G CA 0.610 45.858 45.100 0.247 0.000 0.769 484 G HN 0.438 nan 8.290 nan 0.000 0.547 485 Y N 1.216 121.661 120.300 0.242 0.000 2.181 485 Y HA -0.061 4.488 4.550 -0.001 0.000 0.288 485 Y C 2.756 178.783 175.900 0.212 0.000 1.146 485 Y CA 2.119 60.379 58.100 0.265 0.000 1.164 485 Y CB -0.106 38.473 38.460 0.200 0.000 0.982 485 Y HN 0.178 nan 8.280 nan 0.000 0.515 486 K N -0.138 120.371 120.400 0.181 0.000 2.097 486 K HA -0.250 4.069 4.320 -0.001 0.000 0.206 486 K C 2.307 178.909 176.600 0.003 0.000 1.049 486 K CA 1.359 57.682 56.287 0.060 0.000 0.933 486 K CB -0.136 32.431 32.500 0.110 0.000 0.717 486 K HN 0.138 nan 8.250 nan 0.000 0.442 487 R N 0.262 120.800 120.500 0.063 0.000 2.073 487 R HA -0.139 4.200 4.340 -0.001 0.000 0.234 487 R C 1.966 178.202 176.300 -0.106 0.000 1.134 487 R CA 1.525 57.636 56.100 0.019 0.000 0.952 487 R CB -0.921 29.458 30.300 0.132 0.000 0.850 487 R HN 0.198 nan 8.270 nan 0.000 0.433 488 F N 1.539 121.326 119.950 -0.271 0.000 2.084 488 F HA -0.057 4.469 4.527 -0.001 0.000 0.296 488 F C 2.009 177.583 175.800 -0.378 0.000 1.111 488 F CA 1.426 59.158 58.000 -0.446 0.000 1.224 488 F CB -0.850 38.072 39.000 -0.130 0.000 0.991 488 F HN 0.171 nan 8.300 nan 0.000 0.471 489 I N -2.737 117.706 120.570 -0.211 0.000 2.454 489 I HA -0.190 3.980 4.170 -0.001 0.000 0.254 489 I C 1.935 177.969 176.117 -0.139 0.000 1.156 489 I CA 1.696 62.842 61.300 -0.257 0.000 1.433 489 I CB -1.259 36.522 38.000 -0.366 0.000 1.082 489 I HN -0.019 nan 8.210 nan 0.000 0.432 490 T N 2.092 116.575 114.554 -0.119 0.000 2.701 490 T HA -0.014 4.335 4.350 -0.001 0.000 0.263 490 T C 1.993 176.625 174.700 -0.114 0.000 1.040 490 T CA 1.652 63.697 62.100 -0.092 0.000 1.147 490 T CB -0.420 68.407 68.868 -0.068 0.000 0.865 490 T HN 0.313 nan 8.240 nan 0.000 0.426 491 L N 0.754 121.878 121.223 -0.166 0.000 2.089 491 L HA -0.151 4.189 4.340 -0.001 0.000 0.213 491 L C 2.559 179.337 176.870 -0.153 0.000 1.079 491 L CA 1.117 55.831 54.840 -0.211 0.000 0.758 491 L CB -0.542 41.272 42.059 -0.409 0.000 0.891 491 L HN 0.175 nan 8.230 nan 0.000 0.433 492 V N -0.793 119.066 119.914 -0.091 0.000 2.446 492 V HA -0.141 3.978 4.120 -0.001 0.000 0.244 492 V C 2.636 178.700 176.094 -0.051 0.000 1.039 492 V CA 1.399 63.689 62.300 -0.018 0.000 1.045 492 V CB -0.559 31.309 31.823 0.076 0.000 0.681 492 V HN 0.447 nan 8.190 nan 0.000 0.459 493 A N 0.434 123.214 122.820 -0.067 0.000 1.917 493 A HA -0.293 4.027 4.320 -0.001 0.000 0.219 493 A C 1.907 179.440 177.584 -0.085 0.000 1.182 493 A CA 2.378 54.377 52.037 -0.063 0.000 0.633 493 A CB -0.650 18.318 19.000 -0.054 0.000 0.819 493 A HN 0.567 nan 8.150 nan 0.000 0.448 494 D N -0.303 120.035 120.400 -0.103 0.000 2.183 494 D HA 0.091 4.731 4.640 -0.001 0.000 0.203 494 D C 2.129 178.304 176.300 -0.208 0.000 0.969 494 D CA 1.282 55.206 54.000 -0.127 0.000 0.842 494 D CB -0.410 40.328 40.800 -0.103 0.000 0.957 494 D HN 0.449 nan 8.370 nan 0.000 0.484 495 A N 0.882 123.586 122.820 -0.193 0.000 1.897 495 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 495 A C 1.827 179.229 177.584 -0.304 0.000 1.181 495 A CA 0.928 52.828 52.037 -0.229 0.000 0.620 495 A CB -0.024 18.874 19.000 -0.170 0.000 0.821 495 A HN -0.039 nan 8.150 nan 0.000 0.443 496 R N -0.393 119.988 120.500 -0.199 0.000 2.356 496 R HA 0.105 4.445 4.340 -0.001 0.000 0.234 496 R C -0.572 175.695 176.300 -0.055 0.000 0.929 496 R CA -0.122 55.912 56.100 -0.110 0.000 1.084 496 R CB -0.772 29.520 30.300 -0.013 0.000 1.105 496 R HN 0.672 nan 8.270 nan 0.000 0.515 497 H N -1.056 118.005 119.070 -0.016 0.000 2.756 497 H HA -0.158 4.397 4.556 -0.001 0.000 0.315 497 H C 0.020 175.337 175.328 -0.017 0.000 1.210 497 H CA 1.016 57.055 56.048 -0.015 0.000 1.150 497 H CB -1.532 28.222 29.762 -0.012 0.000 1.463 497 H HN 0.225 nan 8.280 nan 0.000 0.427 498 S N -1.409 114.308 115.700 0.029 0.000 2.971 498 S HA 0.681 5.150 4.470 -0.001 0.000 0.320 498 S C -0.060 174.540 174.600 -0.000 0.000 1.111 498 S CA -0.018 58.191 58.200 0.015 0.000 0.870 498 S CB 2.870 66.068 63.200 -0.003 0.000 1.331 498 S HN 0.253 nan 8.310 nan 0.000 0.635 499 T N 2.026 116.577 114.554 -0.004 0.000 2.863 499 T HA 0.517 4.866 4.350 -0.001 0.000 0.285 499 T C -2.166 172.528 174.700 -0.010 0.000 1.009 499 T CA -1.449 60.649 62.100 -0.004 0.000 0.989 499 T CB 1.608 70.479 68.868 0.005 0.000 1.004 499 T HN 0.309 nan 8.240 nan 0.000 0.455 500 P HA -0.066 nan 4.420 nan 0.000 0.218 500 P C 0.887 178.193 177.300 0.009 0.000 1.148 500 P CA 0.986 64.077 63.100 -0.015 0.000 0.822 500 P CB 0.327 32.021 31.700 -0.009 0.000 0.784 501 E N -0.774 119.439 120.200 0.021 0.000 2.072 501 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 501 E C 2.161 178.780 176.600 0.031 0.000 0.985 501 E CA 1.012 57.433 56.400 0.036 0.000 0.801 501 E CB -0.827 28.892 29.700 0.032 0.000 0.750 501 E HN 0.219 nan 8.360 nan 0.000 0.452 502 Q N -0.032 119.776 119.800 0.014 0.000 2.124 502 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 502 Q C 2.096 178.096 176.000 0.001 0.000 0.977 502 Q CA 0.826 56.632 55.803 0.005 0.000 0.850 502 Q CB -0.115 28.620 28.738 -0.006 0.000 0.901 502 Q HN 0.322 nan 8.270 nan 0.000 0.429 503 I N 0.828 121.394 120.570 -0.006 0.000 2.353 503 I HA -0.193 3.977 4.170 -0.001 0.000 0.248 503 I C 1.881 178.011 176.117 0.022 0.000 1.119 503 I CA 1.001 62.289 61.300 -0.019 0.000 1.417 503 I CB -1.135 36.833 38.000 -0.054 0.000 1.078 503 I HN 0.157 nan 8.210 nan 0.000 0.421 504 D N 1.540 121.975 120.400 0.059 0.000 2.133 504 D HA -0.228 4.412 4.640 -0.001 0.000 0.192 504 D C 2.096 178.486 176.300 0.149 0.000 1.001 504 D CA 1.493 55.583 54.000 0.151 0.000 0.844 504 D CB 0.046 40.947 40.800 0.168 0.000 0.944 504 D HN 0.228 nan 8.370 nan 0.000 0.447 505 K N -0.502 119.957 120.400 0.098 0.000 2.286 505 K HA -0.112 4.207 4.320 -0.001 0.000 0.203 505 K C 1.622 178.285 176.600 0.105 0.000 1.045 505 K CA 1.230 57.571 56.287 0.090 0.000 0.935 505 K CB -0.147 32.378 32.500 0.042 0.000 0.737 505 K HN 0.514 nan 8.250 nan 0.000 0.460 506 I N -5.263 115.370 120.570 0.105 0.000 4.102 506 I HA 0.319 4.489 4.170 -0.001 0.000 0.325 506 I C 0.838 177.139 176.117 0.307 0.000 1.471 506 I CA -0.451 60.951 61.300 0.171 0.000 1.133 506 I CB 0.770 38.720 38.000 -0.083 0.000 1.184 506 I HN -0.157 nan 8.210 nan 0.000 0.451 507 A N 0.712 123.660 122.820 0.214 0.000 3.110 507 A HA 0.345 4.664 4.320 -0.001 0.000 0.206 507 A C 0.958 178.700 177.584 0.264 0.000 2.150 507 A CA 0.247 52.396 52.037 0.186 0.000 1.708 507 A CB -0.121 18.932 19.000 0.087 0.000 1.207 507 A HN 0.317 nan 8.150 nan 0.000 0.367 508 Q N -1.356 118.660 119.800 0.360 0.000 2.407 508 Q HA -0.257 4.082 4.340 -0.001 0.000 0.277 508 Q C 0.907 177.073 176.000 0.277 0.000 1.161 508 Q CA 1.688 57.664 55.803 0.288 0.000 0.924 508 Q CB -2.212 26.714 28.738 0.314 0.000 1.318 508 Q HN 2.125 nan 8.270 nan 0.000 0.513 509 G N -0.492 108.445 108.800 0.229 0.000 2.159 509 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.256 509 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.256 509 G C -0.071 174.856 174.900 0.046 0.000 0.977 509 G CA 0.372 45.565 45.100 0.155 0.000 0.652 509 G HN 0.590 nan 8.290 nan 0.000 0.531 510 H N 0.714 119.697 119.070 -0.145 0.000 2.955 510 H HA 0.391 4.946 4.556 -0.001 0.000 0.290 510 H C 0.693 175.536 175.328 -0.808 0.000 1.047 510 H CA 0.765 56.463 56.048 -0.583 0.000 1.484 510 H CB 1.058 30.246 29.762 -0.957 0.000 1.501 510 H HN 0.457 nan 8.280 nan 0.000 0.521 511 V N 7.062 126.677 119.914 -0.498 0.000 2.614 511 V HA 0.220 4.339 4.120 -0.001 0.000 0.291 511 V C -1.000 174.840 176.094 -0.422 0.000 1.049 511 V CA -0.296 61.774 62.300 -0.383 0.000 1.038 511 V CB 0.201 31.855 31.823 -0.282 0.000 0.980 511 V HN 0.675 nan 8.190 nan 0.000 0.481 512 W N 3.481 124.805 121.300 0.039 0.000 2.844 512 W HA 0.639 5.299 4.660 -0.000 0.000 0.340 512 W C 0.412 176.935 176.519 0.007 0.000 1.093 512 W CA -0.584 56.787 57.345 0.042 0.000 1.212 512 W CB 1.865 31.300 29.460 -0.043 0.000 1.422 512 W HN 0.844 nan 8.180 nan 0.000 0.515 513 T N -1.500 113.255 114.554 0.336 0.000 2.813 513 T HA 0.262 4.612 4.350 -0.001 0.000 0.297 513 T C 1.309 176.114 174.700 0.174 0.000 1.036 513 T CA 0.081 62.308 62.100 0.212 0.000 1.044 513 T CB 1.159 70.170 68.868 0.238 0.000 0.993 513 T HN 0.693 nan 8.240 nan 0.000 0.535 514 G N -0.096 108.776 108.800 0.121 0.000 2.503 514 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.221 514 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.221 514 G C 1.399 176.338 174.900 0.066 0.000 1.131 514 G CA 1.218 46.370 45.100 0.088 0.000 0.756 514 G HN 0.846 nan 8.290 nan 0.000 0.572 515 Q N -0.018 119.833 119.800 0.084 0.000 2.050 515 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 515 Q C 2.154 178.162 176.000 0.013 0.000 0.980 515 Q CA 1.800 57.637 55.803 0.056 0.000 0.840 515 Q CB -0.081 28.703 28.738 0.077 0.000 0.898 515 Q HN 0.372 nan 8.270 nan 0.000 0.424 516 D N -0.097 120.325 120.400 0.038 0.000 2.123 516 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 516 D C 1.654 177.810 176.300 -0.239 0.000 0.992 516 D CA 1.464 55.415 54.000 -0.081 0.000 0.833 516 D CB -0.370 40.475 40.800 0.076 0.000 0.954 516 D HN 0.416 nan 8.370 nan 0.000 0.455 517 A N 0.566 123.311 122.820 -0.124 0.000 2.019 517 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 517 A C 2.047 179.546 177.584 -0.142 0.000 1.164 517 A CA 1.905 53.839 52.037 -0.171 0.000 0.644 517 A CB -0.337 18.644 19.000 -0.033 0.000 0.805 517 A HN 0.153 nan 8.150 nan 0.000 0.449 518 K N 0.280 120.627 120.400 -0.089 0.000 2.116 518 K HA 0.171 4.490 4.320 -0.001 0.000 0.203 518 K C 1.888 178.427 176.600 -0.102 0.000 1.052 518 K CA 1.557 57.799 56.287 -0.074 0.000 0.952 518 K CB -0.549 31.929 32.500 -0.036 0.000 0.729 518 K HN 0.234 nan 8.250 nan 0.000 0.446 519 A N 1.513 124.257 122.820 -0.127 0.000 1.930 519 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 519 A C 1.647 179.119 177.584 -0.187 0.000 1.175 519 A CA 1.633 53.587 52.037 -0.138 0.000 0.627 519 A CB -0.870 18.047 19.000 -0.137 0.000 0.815 519 A HN 0.737 nan 8.150 nan 0.000 0.443 520 N N -2.291 116.242 118.700 -0.279 0.000 2.280 520 N HA 0.296 5.036 4.740 -0.001 0.000 0.192 520 N C 0.950 176.334 175.510 -0.211 0.000 1.109 520 N CA 0.797 53.666 53.050 -0.302 0.000 0.855 520 N CB 0.402 38.581 38.487 -0.514 0.000 0.974 520 N HN 0.544 nan 8.380 nan 0.000 0.482 521 G N 1.124 109.831 108.800 -0.155 0.000 2.201 521 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.212 521 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.212 521 G C 0.665 175.530 174.900 -0.058 0.000 0.994 521 G CA 0.080 45.126 45.100 -0.089 0.000 0.644 521 G HN 0.244 nan 8.290 nan 0.000 0.508 522 L N -0.158 121.013 121.223 -0.088 0.000 2.291 522 L HA 0.288 4.628 4.340 -0.001 0.000 0.214 522 L C 1.064 177.999 176.870 0.109 0.000 1.120 522 L CA 0.828 55.668 54.840 0.000 0.000 0.799 522 L CB -0.042 41.913 42.059 -0.174 0.000 0.925 522 L HN 0.214 nan 8.230 nan 0.000 0.446 523 V N -1.305 118.614 119.914 0.009 0.000 3.040 523 V HA 0.186 4.306 4.120 -0.001 0.000 0.312 523 V C -0.088 175.940 176.094 -0.110 0.000 1.115 523 V CA -0.663 61.630 62.300 -0.012 0.000 0.998 523 V CB 2.610 34.444 31.823 0.018 0.000 1.042 523 V HN -0.013 nan 8.190 nan 0.000 0.433 524 D N 0.686 120.943 120.400 -0.240 0.000 2.431 524 D HA 0.117 4.756 4.640 -0.001 0.000 0.235 524 D C 0.532 176.690 176.300 -0.236 0.000 0.980 524 D CA 1.006 54.790 54.000 -0.359 0.000 0.912 524 D CB 1.060 41.322 40.800 -0.896 0.000 1.056 524 D HN 0.621 nan 8.370 nan 0.000 0.494 525 S N -0.122 115.464 115.700 -0.189 0.000 2.556 525 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 525 S C -0.921 173.687 174.600 0.014 0.000 1.135 525 S CA -0.911 57.278 58.200 -0.018 0.000 0.858 525 S CB 1.741 65.011 63.200 0.118 0.000 1.114 525 S HN 0.004 nan 8.310 nan 0.000 0.468 526 L N 2.402 123.648 121.223 0.037 0.000 2.290 526 L HA 0.754 5.093 4.340 -0.001 0.000 0.284 526 L C 0.969 177.878 176.870 0.064 0.000 1.078 526 L CA 0.322 55.192 54.840 0.049 0.000 0.815 526 L CB 0.831 42.919 42.059 0.048 0.000 1.162 526 L HN 1.169 nan 8.230 nan 0.000 0.435 527 G N 2.320 111.159 108.800 0.066 0.000 2.393 527 G HA2 0.403 4.363 3.960 -0.001 0.000 0.264 527 G HA3 0.403 4.363 3.960 -0.001 0.000 0.264 527 G C -2.207 172.722 174.900 0.048 0.000 1.221 527 G CA -0.237 44.903 45.100 0.067 0.000 0.912 527 G HN 0.603 nan 8.290 nan 0.000 0.483 528 D N -2.166 118.250 120.400 0.027 0.000 2.652 528 D HA 0.538 5.178 4.640 -0.001 0.000 0.285 528 D C 0.779 177.065 176.300 -0.024 0.000 1.173 528 D CA -0.819 53.148 54.000 -0.055 0.000 0.981 528 D CB 0.658 41.365 40.800 -0.155 0.000 1.440 528 D HN 0.361 nan 8.370 nan 0.000 0.485 529 F N 0.787 120.570 119.950 -0.279 0.000 2.154 529 F HA -0.190 4.337 4.527 -0.001 0.000 0.301 529 F C 1.399 177.219 175.800 0.032 0.000 1.087 529 F CA 1.917 59.869 58.000 -0.081 0.000 1.274 529 F CB -0.227 38.797 39.000 0.040 0.000 1.009 529 F HN 0.239 nan 8.300 nan 0.000 0.485 530 D N 0.322 120.750 120.400 0.047 0.000 2.123 530 D HA -0.199 4.440 4.640 -0.001 0.000 0.196 530 D C 1.894 178.169 176.300 -0.040 0.000 0.992 530 D CA 1.703 55.734 54.000 0.052 0.000 0.833 530 D CB -0.502 40.416 40.800 0.197 0.000 0.954 530 D HN 0.425 nan 8.370 nan 0.000 0.455 531 D N 0.347 120.740 120.400 -0.011 0.000 2.183 531 D HA -0.043 4.597 4.640 -0.001 0.000 0.203 531 D C 1.995 178.277 176.300 -0.030 0.000 0.969 531 D CA 0.825 54.826 54.000 0.003 0.000 0.842 531 D CB 0.034 40.864 40.800 0.050 0.000 0.957 531 D HN 0.122 nan 8.370 nan 0.000 0.484 532 A N 0.914 123.690 122.820 -0.073 0.000 1.898 532 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 532 A C 2.549 180.024 177.584 -0.182 0.000 1.181 532 A CA 0.888 52.874 52.037 -0.085 0.000 0.620 532 A CB -0.669 18.286 19.000 -0.075 0.000 0.819 532 A HN 0.099 nan 8.150 nan 0.000 0.442 533 V N -0.052 119.666 119.914 -0.327 0.000 2.270 533 V HA -0.236 3.884 4.120 -0.001 0.000 0.245 533 V C 3.084 179.103 176.094 -0.125 0.000 1.043 533 V CA 1.934 64.071 62.300 -0.272 0.000 1.014 533 V CB -1.261 30.369 31.823 -0.322 0.000 0.645 533 V HN 0.601 nan 8.190 nan 0.000 0.447 534 A N -0.076 122.683 122.820 -0.101 0.000 1.948 534 A HA -0.309 4.010 4.320 -0.001 0.000 0.220 534 A C 2.213 179.742 177.584 -0.092 0.000 1.177 534 A CA 2.496 54.491 52.037 -0.069 0.000 0.636 534 A CB -0.494 18.479 19.000 -0.045 0.000 0.815 534 A HN 0.494 nan 8.150 nan 0.000 0.449 535 K N -0.053 120.274 120.400 -0.121 0.000 2.062 535 K HA 0.127 4.447 4.320 -0.001 0.000 0.205 535 K C 1.997 178.505 176.600 -0.153 0.000 1.051 535 K CA 1.445 57.620 56.287 -0.186 0.000 0.941 535 K CB -0.528 31.812 32.500 -0.267 0.000 0.719 535 K HN 0.301 nan 8.250 nan 0.000 0.440 536 A N 0.521 123.274 122.820 -0.112 0.000 1.933 536 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 536 A C 2.340 179.882 177.584 -0.070 0.000 1.175 536 A CA 1.920 53.907 52.037 -0.085 0.000 0.628 536 A CB -0.963 17.988 19.000 -0.082 0.000 0.814 536 A HN 0.411 nan 8.150 nan 0.000 0.444 537 A N -0.450 122.330 122.820 -0.065 0.000 1.898 537 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 537 A C 1.988 179.540 177.584 -0.052 0.000 1.181 537 A CA 1.667 53.675 52.037 -0.048 0.000 0.620 537 A CB -0.532 18.445 19.000 -0.039 0.000 0.819 537 A HN 0.642 nan 8.150 nan 0.000 0.442 538 E N -0.045 120.112 120.200 -0.071 0.000 2.160 538 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 538 E C 0.257 176.814 176.600 -0.071 0.000 0.991 538 E CA 0.597 56.952 56.400 -0.075 0.000 0.810 538 E CB -0.242 29.395 29.700 -0.104 0.000 0.742 538 E HN 0.627 nan 8.360 nan 0.000 0.466 539 L N 0.255 121.432 121.223 -0.076 0.000 2.672 539 L HA 0.271 4.611 4.340 -0.001 0.000 0.238 539 L C 0.414 177.260 176.870 -0.040 0.000 1.392 539 L CA 0.122 54.928 54.840 -0.058 0.000 1.238 539 L CB -0.149 41.874 42.059 -0.060 0.000 1.548 539 L HN 0.214 nan 8.230 nan 0.000 0.423 540 A N -0.571 122.229 122.820 -0.034 0.000 3.522 540 A HA 0.180 4.500 4.320 -0.001 0.000 0.100 540 A C -0.525 177.049 177.584 -0.018 0.000 1.309 540 A CA -0.389 51.635 52.037 -0.022 0.000 1.277 540 A CB 0.311 19.300 19.000 -0.019 0.000 0.983 540 A HN 0.185 nan 8.150 nan 0.000 0.456 541 K N -0.719 119.672 120.400 -0.014 0.000 2.175 541 K HA 0.661 4.980 4.320 -0.001 0.000 0.257 541 K C 0.484 177.081 176.600 -0.006 0.000 1.026 541 K CA 0.303 56.586 56.287 -0.007 0.000 0.866 541 K CB 0.718 33.219 32.500 0.002 0.000 1.474 541 K HN 1.053 nan 8.250 nan 0.000 0.442 542 V N -2.230 117.685 119.914 0.002 0.000 3.548 542 V HA 0.295 4.414 4.120 -0.001 0.000 0.279 542 V C -0.310 175.789 176.094 0.009 0.000 1.446 542 V CA -0.026 62.275 62.300 0.001 0.000 1.023 542 V CB -0.266 31.557 31.823 -0.000 0.000 0.820 542 V HN 0.489 nan 8.190 nan 0.000 0.438 543 K N 3.385 123.798 120.400 0.021 0.000 2.450 543 K HA 0.612 4.931 4.320 -0.001 0.000 0.257 543 K C -0.532 176.106 176.600 0.063 0.000 0.953 543 K CA -0.360 55.948 56.287 0.035 0.000 0.844 543 K CB 1.741 34.264 32.500 0.038 0.000 1.103 543 K HN 0.443 nan 8.250 nan 0.000 0.429 544 Q N 3.499 123.332 119.800 0.054 0.000 2.399 544 Q HA 0.525 4.865 4.340 -0.001 0.000 0.276 544 Q C -1.018 175.056 176.000 0.123 0.000 1.098 544 Q CA -0.894 54.945 55.803 0.060 0.000 0.827 544 Q CB 2.183 30.903 28.738 -0.030 0.000 1.386 544 Q HN 0.720 nan 8.270 nan 0.000 0.443 545 W N 0.458 121.704 121.300 -0.091 0.000 3.032 545 W HA 0.561 5.220 4.660 -0.001 0.000 0.341 545 W C -1.687 174.791 176.519 -0.068 0.000 1.202 545 W CA -0.947 56.316 57.345 -0.137 0.000 1.132 545 W CB 0.307 29.730 29.460 -0.060 0.000 1.465 545 W HN 0.789 nan 8.180 nan 0.000 0.576 546 H N 1.237 120.268 119.070 -0.065 0.000 2.467 546 H HA 0.496 5.051 4.556 -0.001 0.000 0.326 546 H C -0.683 174.325 175.328 -0.534 0.000 1.094 546 H CA -0.814 55.058 56.048 -0.293 0.000 1.253 546 H CB 2.449 32.191 29.762 -0.033 0.000 1.439 546 H HN 0.095 nan 8.280 nan 0.000 0.479 547 L N 4.651 125.543 121.223 -0.551 0.000 2.265 547 L HA 0.170 4.509 4.340 -0.001 0.000 0.289 547 L C -0.214 176.421 176.870 -0.392 0.000 1.033 547 L CA -0.437 54.067 54.840 -0.559 0.000 0.814 547 L CB 0.371 42.051 42.059 -0.632 0.000 1.203 547 L HN 0.633 nan 8.230 nan 0.000 0.423 548 E N 3.515 123.541 120.200 -0.290 0.000 2.250 548 E HA 0.154 4.503 4.350 -0.001 0.000 0.265 548 E C -0.871 175.503 176.600 -0.378 0.000 1.033 548 E CA -0.429 55.868 56.400 -0.172 0.000 0.888 548 E CB 1.110 30.836 29.700 0.044 0.000 1.151 548 E HN 0.468 nan 8.360 nan 0.000 0.412 549 Y N -1.794 118.544 120.300 0.063 0.000 2.660 549 Y HA 0.112 4.661 4.550 -0.001 0.000 0.254 549 Y C 0.818 176.777 175.900 0.098 0.000 1.176 549 Y CA -0.380 57.756 58.100 0.061 0.000 1.195 549 Y CB -0.088 38.386 38.460 0.024 0.000 1.190 549 Y HN 0.594 nan 8.280 nan 0.000 0.535 550 Y N 0.936 121.358 120.300 0.204 0.000 2.601 550 Y HA 0.496 5.045 4.550 -0.001 0.000 0.349 550 Y C 0.272 176.223 175.900 0.086 0.000 1.274 550 Y CA 0.014 58.192 58.100 0.130 0.000 1.863 550 Y CB -1.544 36.966 38.460 0.083 0.000 1.629 550 Y HN 0.187 nan 8.280 nan 0.000 0.439 551 V N 0.000 119.972 119.914 0.097 0.000 2.409 551 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 551 V CA 0.000 62.345 62.300 0.075 0.000 1.235 551 V CB 0.000 31.864 31.823 0.068 0.000 1.184 551 V HN 0.000 nan 8.190 nan 0.000 0.556