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 3cz8_1_B DATA FIRST_RESID 96 DATA SEQUENCE SNYIAGTLSF YVLRNPDLDX XXXXXXXXXS SSISIFEYHI APNGDIANQL DATA SEQUENCE NDAAAIETTW QRRVTPLATI TNLTSGGFST EIVHQVLNNP TARTNLVNNI DATA SEQUENCE YDLVSTRGYG GVTIDFEQVS AADRDLFTGF LRQLRDRLQA GGYVLTIAVP DATA SEQUENCE AKTSDNIPWL RGYDYGGIGA VVNYMFIMAY DWHHAGSEPG PVAPITEIRR DATA SEQUENCE TIEFTIAQVP SRKIIIGVPL YGYDWIIPYQ PGTVASAISN QNAIERAMRY DATA SEQUENCE QAPIQYSAEY QSPFFRYSDQ QGRTHEVWFE GVRSMSRKMQ IVREYRLQAI DATA SEQUENCE GAWQLTLA 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 96 S HA 0.000 nan 4.470 nan 0.000 0.327 96 S C 0.000 174.466 174.600 -0.223 0.000 1.055 96 S CA 0.000 58.079 58.200 -0.201 0.000 1.107 96 S CB 0.000 63.134 63.200 -0.109 0.000 0.593 97 N N -0.435 118.107 118.700 -0.263 0.000 2.572 97 N HA 0.437 5.177 4.740 -0.000 0.000 0.287 97 N C -0.947 174.472 175.510 -0.153 0.000 1.136 97 N CA -0.426 52.514 53.050 -0.184 0.000 0.900 97 N CB 0.902 39.343 38.487 -0.077 0.000 1.484 97 N HN 0.049 nan 8.380 nan 0.000 0.526 98 Y N 1.882 122.185 120.300 0.004 0.000 2.475 98 Y HA 0.218 4.769 4.550 0.000 0.000 0.289 98 Y C 0.696 176.598 175.900 0.004 0.000 1.121 98 Y CA 0.341 58.444 58.100 0.004 0.000 1.257 98 Y CB 0.425 38.887 38.460 0.003 0.000 1.026 98 Y HN 0.521 nan 8.280 nan 0.000 0.555 99 I N 1.144 121.796 120.570 0.136 0.000 2.310 99 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 99 I C -0.104 176.042 176.117 0.048 0.000 1.073 99 I CA -0.666 60.682 61.300 0.080 0.000 1.216 99 I CB -0.271 37.765 38.000 0.060 0.000 1.415 99 I HN -0.094 nan 8.210 nan 0.000 0.480 100 A N 4.628 127.477 122.820 0.048 0.000 2.353 100 A HA 0.741 5.061 4.320 -0.000 0.000 0.299 100 A C 0.296 177.899 177.584 0.033 0.000 1.089 100 A CA -0.560 51.496 52.037 0.032 0.000 0.736 100 A CB 1.220 20.238 19.000 0.029 0.000 1.195 100 A HN 0.693 nan 8.150 nan 0.000 0.447 101 G N 1.810 110.624 108.800 0.024 0.000 2.351 101 G HA2 0.472 4.432 3.960 -0.000 0.000 0.287 101 G HA3 0.472 4.432 3.960 -0.000 0.000 0.287 101 G C -0.016 174.903 174.900 0.032 0.000 1.159 101 G CA 0.001 45.115 45.100 0.023 0.000 0.929 101 G HN 0.627 nan 8.290 nan 0.000 0.435 102 T N 4.243 118.825 114.554 0.047 0.000 2.729 102 T HA 0.209 4.559 4.350 -0.000 0.000 0.296 102 T C 0.471 175.227 174.700 0.093 0.000 0.928 102 T CA -0.257 61.888 62.100 0.076 0.000 1.045 102 T CB 1.044 69.963 68.868 0.085 0.000 0.902 102 T HN 0.276 nan 8.240 nan 0.000 0.500 103 L N 4.129 125.416 121.223 0.107 0.000 2.349 103 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 103 L C 0.337 177.391 176.870 0.307 0.000 1.115 103 L CA -0.096 54.809 54.840 0.109 0.000 0.820 103 L CB 0.902 42.900 42.059 -0.101 0.000 1.135 103 L HN 0.832 nan 8.230 nan 0.000 0.445 104 S N 3.803 119.719 115.700 0.361 0.000 2.546 104 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 104 S C -1.021 173.876 174.600 0.494 0.000 1.121 104 S CA -0.747 57.744 58.200 0.485 0.000 0.887 104 S CB 1.768 65.138 63.200 0.283 0.000 1.094 104 S HN 0.441 nan 8.310 nan 0.000 0.474 105 F N 4.100 124.221 119.950 0.284 0.000 2.385 105 F HA 0.636 5.163 4.527 -0.000 0.000 0.360 105 F C -0.588 175.142 175.800 -0.116 0.000 1.122 105 F CA -0.771 57.131 58.000 -0.163 0.000 1.090 105 F CB 0.670 39.459 39.000 -0.352 0.000 1.150 105 F HN 0.793 nan 8.300 nan 0.000 0.472 106 Y N 4.095 123.934 120.300 -0.770 0.000 2.587 106 Y HA 0.806 5.356 4.550 0.001 0.000 0.337 106 Y C -1.789 173.658 175.900 -0.754 0.000 1.065 106 Y CA -1.508 56.251 58.100 -0.567 0.000 1.126 106 Y CB 1.196 39.473 38.460 -0.304 0.000 1.279 106 Y HN 0.191 nan 8.280 nan 0.000 0.489 107 V N 4.517 124.070 119.914 -0.601 0.000 2.370 107 V HA 0.251 4.371 4.120 -0.000 0.000 0.283 107 V C -0.638 175.182 176.094 -0.457 0.000 1.023 107 V CA -0.767 61.180 62.300 -0.589 0.000 0.857 107 V CB 1.260 32.870 31.823 -0.355 0.000 0.985 107 V HN 0.578 nan 8.190 nan 0.000 0.443 108 L N 5.685 126.614 121.223 -0.489 0.000 2.297 108 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 108 L C 0.572 177.338 176.870 -0.175 0.000 1.040 108 L CA 0.021 54.685 54.840 -0.293 0.000 0.867 108 L CB 0.640 42.516 42.059 -0.305 0.000 1.244 108 L HN 0.650 nan 8.230 nan 0.000 0.433 109 R N 2.341 122.773 120.500 -0.113 0.000 2.585 109 R HA -0.051 4.289 4.340 -0.000 0.000 0.275 109 R C 0.571 176.849 176.300 -0.036 0.000 1.018 109 R CA -0.181 55.879 56.100 -0.065 0.000 1.072 109 R CB 0.462 30.737 30.300 -0.041 0.000 0.953 109 R HN 0.512 nan 8.270 nan 0.000 0.419 110 N N 5.781 124.472 118.700 -0.014 0.000 2.374 110 N HA -0.053 4.687 4.740 -0.000 0.000 0.269 110 N C -1.744 173.772 175.510 0.010 0.000 1.310 110 N CA -1.235 51.820 53.050 0.008 0.000 0.877 110 N CB 0.919 39.423 38.487 0.029 0.000 1.096 110 N HN 0.411 nan 8.380 nan 0.000 0.484 111 P HA -0.075 nan 4.420 nan 0.000 0.225 111 P C 0.160 177.469 177.300 0.015 0.000 1.148 111 P CA 0.819 63.925 63.100 0.011 0.000 0.779 111 P CB 0.412 32.118 31.700 0.011 0.000 0.780 112 D N -0.104 120.307 120.400 0.019 0.000 2.310 112 D HA -0.020 4.620 4.640 -0.000 0.000 0.212 112 D C 1.689 178.003 176.300 0.022 0.000 0.965 112 D CA 0.724 54.737 54.000 0.020 0.000 0.879 112 D CB -0.203 40.611 40.800 0.023 0.000 0.921 112 D HN 0.305 nan 8.370 nan 0.000 0.510 113 L N 0.368 121.605 121.223 0.024 0.000 2.611 113 L HA 0.104 4.444 4.340 -0.000 0.000 0.229 113 L C 0.426 177.310 176.870 0.023 0.000 1.137 113 L CA 0.046 54.903 54.840 0.027 0.000 0.901 113 L CB -0.016 42.063 42.059 0.034 0.000 1.098 113 L HN -0.236 nan 8.230 nan 0.000 0.456 126 S N 1.370 117.053 115.700 -0.029 0.000 2.618 126 S HA 0.919 5.389 4.470 -0.000 0.000 0.277 126 S C -0.982 173.584 174.600 -0.058 0.000 1.138 126 S CA 0.232 58.398 58.200 -0.056 0.000 0.844 126 S CB 1.656 64.840 63.200 -0.028 0.000 1.127 126 S HN 1.591 nan 8.310 nan 0.000 0.474 127 S N 1.487 117.146 115.700 -0.069 0.000 2.661 127 S HA 0.838 5.308 4.470 -0.000 0.000 0.285 127 S C -1.347 173.240 174.600 -0.021 0.000 1.138 127 S CA -0.734 57.438 58.200 -0.047 0.000 0.855 127 S CB 1.178 64.376 63.200 -0.003 0.000 1.136 127 S HN 0.681 nan 8.310 nan 0.000 0.484 128 I N 1.415 121.988 120.570 0.004 0.000 2.548 128 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 128 I C -0.893 175.286 176.117 0.105 0.000 1.103 128 I CA -0.401 60.931 61.300 0.054 0.000 1.049 128 I CB 2.498 40.512 38.000 0.023 0.000 1.232 128 I HN 0.656 nan 8.210 nan 0.000 0.429 129 S N 6.953 122.764 115.700 0.184 0.000 2.420 129 S HA 0.544 5.014 4.470 -0.000 0.000 0.313 129 S C -0.114 174.613 174.600 0.211 0.000 1.079 129 S CA -0.462 57.842 58.200 0.174 0.000 1.104 129 S CB 0.482 63.819 63.200 0.229 0.000 0.969 129 S HN 0.336 nan 8.310 nan 0.000 0.471 130 I N 3.738 124.396 120.570 0.146 0.000 2.371 130 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 130 I C -0.386 175.818 176.117 0.145 0.000 1.028 130 I CA -0.222 61.211 61.300 0.221 0.000 1.345 130 I CB 0.477 38.622 38.000 0.242 0.000 1.407 130 I HN 0.471 nan 8.210 nan 0.000 0.501 131 F N 4.596 124.643 119.950 0.162 0.000 2.377 131 F HA 0.318 4.845 4.527 -0.000 0.000 0.328 131 F C 0.516 176.355 175.800 0.066 0.000 1.094 131 F CA -0.359 57.731 58.000 0.151 0.000 1.093 131 F CB 1.270 40.384 39.000 0.191 0.000 1.214 131 F HN 0.472 nan 8.300 nan 0.000 0.518 132 E N 0.315 120.620 120.200 0.175 0.000 2.378 132 E HA 0.503 4.853 4.350 -0.000 0.000 0.265 132 E C -1.979 174.576 176.600 -0.075 0.000 0.932 132 E CA -0.886 55.574 56.400 0.100 0.000 0.795 132 E CB 1.096 30.947 29.700 0.251 0.000 1.296 132 E HN 0.382 nan 8.360 nan 0.000 0.438 133 Y N 0.360 120.686 120.300 0.044 0.000 2.420 133 Y HA 0.364 4.914 4.550 -0.000 0.000 0.334 133 Y C 0.300 176.231 175.900 0.052 0.000 1.094 133 Y CA -0.590 57.496 58.100 -0.024 0.000 1.126 133 Y CB 1.438 39.873 38.460 -0.042 0.000 1.217 133 Y HN 0.544 nan 8.280 nan 0.000 0.462 134 H N 1.691 120.898 119.070 0.229 0.000 2.797 134 H HA 0.721 5.277 4.556 -0.000 0.000 0.362 134 H C -0.998 174.419 175.328 0.148 0.000 1.183 134 H CA -1.312 54.839 56.048 0.172 0.000 1.197 134 H CB 2.113 31.927 29.762 0.088 0.000 1.835 134 H HN 0.702 nan 8.280 nan 0.000 0.567 135 I N -0.685 120.034 120.570 0.248 0.000 2.493 135 I HA 0.763 4.933 4.170 -0.000 0.000 0.298 135 I C -0.187 175.985 176.117 0.092 0.000 0.998 135 I CA -1.145 60.235 61.300 0.133 0.000 1.137 135 I CB 1.911 39.960 38.000 0.082 0.000 1.310 135 I HN 0.698 nan 8.210 nan 0.000 0.445 136 A N 5.410 128.271 122.820 0.069 0.000 2.279 136 A HA 0.698 5.018 4.320 -0.000 0.000 0.303 136 A C -1.890 175.698 177.584 0.007 0.000 1.108 136 A CA -1.704 50.360 52.037 0.044 0.000 0.830 136 A CB 0.138 19.168 19.000 0.049 0.000 1.106 136 A HN 0.712 nan 8.150 nan 0.000 0.493 137 P HA -0.114 nan 4.420 nan 0.000 0.225 137 P C 0.815 178.107 177.300 -0.014 0.000 1.148 137 P CA 1.173 64.259 63.100 -0.022 0.000 0.779 137 P CB 0.025 31.716 31.700 -0.015 0.000 0.780 138 N N -0.742 117.960 118.700 0.003 0.000 2.461 138 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 138 N C 1.201 176.723 175.510 0.020 0.000 1.134 138 N CA 1.072 54.129 53.050 0.011 0.000 0.878 138 N CB -0.660 37.837 38.487 0.018 0.000 0.972 138 N HN 0.169 nan 8.380 nan 0.000 0.456 139 G N 0.113 108.925 108.800 0.020 0.000 2.144 139 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 139 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 139 G C -0.728 174.210 174.900 0.063 0.000 0.988 139 G CA 0.032 45.157 45.100 0.041 0.000 0.659 139 G HN 0.467 nan 8.290 nan 0.000 0.522 140 D N -0.157 120.274 120.400 0.052 0.000 2.313 140 D HA 0.536 5.176 4.640 -0.000 0.000 0.247 140 D C 0.979 177.316 176.300 0.061 0.000 1.094 140 D CA -0.117 53.915 54.000 0.054 0.000 0.925 140 D CB 0.795 41.622 40.800 0.045 0.000 1.188 140 D HN 0.242 nan 8.370 nan 0.000 0.430 141 I N 2.110 122.710 120.570 0.050 0.000 2.337 141 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 141 I C 1.119 177.258 176.117 0.036 0.000 1.046 141 I CA -0.287 61.040 61.300 0.045 0.000 1.324 141 I CB 1.454 39.458 38.000 0.007 0.000 1.409 141 I HN 0.462 nan 8.210 nan 0.000 0.494 142 A N 6.427 129.252 122.820 0.007 0.000 2.016 142 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 142 A C 0.853 178.419 177.584 -0.030 0.000 1.162 142 A CA 0.879 52.922 52.037 0.010 0.000 0.662 142 A CB -0.271 18.794 19.000 0.109 0.000 0.812 142 A HN 0.816 nan 8.150 nan 0.000 0.450 143 N N -0.638 117.985 118.700 -0.128 0.000 2.453 143 N HA 0.396 5.136 4.740 -0.000 0.000 0.290 143 N C -1.109 174.446 175.510 0.075 0.000 1.250 143 N CA -0.590 52.410 53.050 -0.082 0.000 0.815 143 N CB 1.073 39.401 38.487 -0.266 0.000 1.381 143 N HN 0.262 nan 8.380 nan 0.000 0.510 144 Q N -0.016 119.813 119.800 0.050 0.000 2.348 144 Q HA 0.625 4.965 4.340 -0.000 0.000 0.271 144 Q C -0.940 175.052 176.000 -0.012 0.000 1.067 144 Q CA -0.833 55.038 55.803 0.113 0.000 0.839 144 Q CB 2.638 31.436 28.738 0.101 0.000 1.354 144 Q HN 0.482 nan 8.270 nan 0.000 0.447 145 L N 1.434 122.661 121.223 0.008 0.000 2.381 145 L HA 0.429 4.769 4.340 -0.000 0.000 0.268 145 L C -0.440 176.461 176.870 0.052 0.000 0.997 145 L CA -1.051 53.764 54.840 -0.042 0.000 0.818 145 L CB 1.769 43.721 42.059 -0.178 0.000 1.310 145 L HN 0.525 nan 8.230 nan 0.000 0.416 146 N N 1.671 120.394 118.700 0.039 0.000 2.739 146 N HA 0.038 4.778 4.740 -0.000 0.000 0.266 146 N C -0.058 175.484 175.510 0.053 0.000 1.168 146 N CA -0.100 52.980 53.050 0.050 0.000 1.055 146 N CB 0.202 38.716 38.487 0.044 0.000 1.393 146 N HN 0.588 nan 8.380 nan 0.000 0.514 147 D N 0.453 120.893 120.400 0.066 0.000 2.474 147 D HA 0.125 4.765 4.640 -0.000 0.000 0.213 147 D C 1.405 177.712 176.300 0.012 0.000 1.120 147 D CA -0.091 53.947 54.000 0.064 0.000 0.836 147 D CB -0.351 40.534 40.800 0.140 0.000 1.019 147 D HN 0.225 nan 8.370 nan 0.000 0.507 148 A N 1.224 124.051 122.820 0.010 0.000 1.940 148 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 148 A C 2.353 179.940 177.584 0.004 0.000 1.176 148 A CA 2.184 54.217 52.037 -0.008 0.000 0.631 148 A CB -0.818 18.187 19.000 0.009 0.000 0.814 148 A HN 0.354 nan 8.150 nan 0.000 0.446 149 A N -0.487 122.342 122.820 0.015 0.000 1.929 149 A HA 0.278 4.598 4.320 -0.000 0.000 0.216 149 A C 2.461 180.056 177.584 0.019 0.000 1.176 149 A CA 1.763 53.812 52.037 0.020 0.000 0.628 149 A CB -0.837 18.176 19.000 0.022 0.000 0.816 149 A HN 0.951 nan 8.150 nan 0.000 0.444 150 A N 0.250 123.079 122.820 0.015 0.000 1.855 150 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 150 A C 2.069 179.646 177.584 -0.013 0.000 1.191 150 A CA 1.396 53.441 52.037 0.013 0.000 0.613 150 A CB -0.684 18.337 19.000 0.035 0.000 0.829 150 A HN 0.449 nan 8.150 nan 0.000 0.442 151 I N -0.388 120.149 120.570 -0.054 0.000 2.145 151 I HA -0.301 3.869 4.170 -0.000 0.000 0.244 151 I C 2.659 178.798 176.117 0.038 0.000 1.075 151 I CA 1.787 63.015 61.300 -0.120 0.000 1.332 151 I CB -0.302 37.553 38.000 -0.242 0.000 1.033 151 I HN 0.359 nan 8.210 nan 0.000 0.410 152 E N 0.498 120.754 120.200 0.093 0.000 2.072 152 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 152 E C 2.229 178.909 176.600 0.133 0.000 0.985 152 E CA 1.783 58.278 56.400 0.159 0.000 0.801 152 E CB -0.100 29.653 29.700 0.087 0.000 0.750 152 E HN 0.462 nan 8.360 nan 0.000 0.452 153 T N 0.169 114.763 114.554 0.067 0.000 2.821 153 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 153 T C 1.985 176.710 174.700 0.042 0.000 1.046 153 T CA 1.989 64.117 62.100 0.047 0.000 1.139 153 T CB -0.425 68.455 68.868 0.021 0.000 0.871 153 T HN 0.377 nan 8.240 nan 0.000 0.454 154 T N -1.360 113.200 114.554 0.010 0.000 2.896 154 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 154 T C 1.753 176.454 174.700 0.003 0.000 1.050 154 T CA 0.381 62.458 62.100 -0.039 0.000 1.140 154 T CB -0.840 67.956 68.868 -0.121 0.000 0.877 154 T HN 0.547 nan 8.240 nan 0.000 0.457 155 W N 1.494 122.799 121.300 0.009 0.000 2.374 155 W HA -0.028 4.631 4.660 -0.001 0.000 0.288 155 W C 2.905 179.428 176.519 0.008 0.000 1.218 155 W CA 0.520 57.871 57.345 0.010 0.000 1.245 155 W CB -0.135 29.325 29.460 -0.000 0.000 1.126 155 W HN 0.269 nan 8.180 nan 0.000 0.545 156 Q N 0.332 120.277 119.800 0.241 0.000 2.170 156 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 156 Q C 1.578 177.639 176.000 0.102 0.000 0.976 156 Q CA 1.375 57.260 55.803 0.137 0.000 0.858 156 Q CB -0.094 28.698 28.738 0.090 0.000 0.907 156 Q HN 0.172 nan 8.270 nan 0.000 0.433 157 R N -0.237 120.316 120.500 0.088 0.000 2.391 157 R HA 0.227 4.567 4.340 -0.000 0.000 0.249 157 R C -0.312 176.030 176.300 0.069 0.000 0.957 157 R CA -0.068 56.066 56.100 0.057 0.000 1.093 157 R CB 0.235 30.550 30.300 0.025 0.000 1.156 157 R HN 0.108 nan 8.270 nan 0.000 0.526 158 R N 0.224 120.795 120.500 0.118 0.000 3.422 158 R HA -0.137 4.202 4.340 -0.000 0.000 0.267 158 R C -0.638 175.727 176.300 0.107 0.000 1.074 158 R CA 0.900 57.084 56.100 0.140 0.000 0.718 158 R CB -1.739 28.621 30.300 0.099 0.000 1.157 158 R HN 0.174 nan 8.270 nan 0.000 0.440 159 V N -0.768 119.188 119.914 0.069 0.000 2.656 159 V HA 0.472 4.592 4.120 -0.000 0.000 0.307 159 V C 0.216 176.190 176.094 -0.200 0.000 1.051 159 V CA -0.390 61.894 62.300 -0.026 0.000 0.893 159 V CB 2.383 34.187 31.823 -0.032 0.000 0.999 159 V HN 0.208 nan 8.190 nan 0.000 0.426 160 T N 9.010 123.426 114.554 -0.229 0.000 2.779 160 T HA 0.369 4.719 4.350 -0.000 0.000 0.296 160 T C -2.643 171.803 174.700 -0.423 0.000 0.938 160 T CA -0.501 61.318 62.100 -0.468 0.000 1.119 160 T CB 0.788 69.561 68.868 -0.159 0.000 0.891 160 T HN 0.733 nan 8.240 nan 0.000 0.526 161 P HA 0.427 nan 4.420 nan 0.000 0.285 161 P C -0.844 176.487 177.300 0.051 0.000 1.259 161 P CA -0.476 62.477 63.100 -0.245 0.000 0.794 161 P CB 0.725 32.209 31.700 -0.360 0.000 0.940 162 L N 1.761 123.043 121.223 0.099 0.000 2.354 162 L HA 0.743 5.083 4.340 -0.000 0.000 0.269 162 L C 0.244 176.930 176.870 -0.307 0.000 1.005 162 L CA -1.260 53.556 54.840 -0.040 0.000 0.819 162 L CB 2.154 44.214 42.059 0.002 0.000 1.311 162 L HN 0.277 nan 8.230 nan 0.000 0.423 163 A N 1.163 123.535 122.820 -0.747 0.000 2.276 163 A HA 0.626 4.946 4.320 -0.000 0.000 0.300 163 A C -0.074 177.312 177.584 -0.330 0.000 1.235 163 A CA -0.312 51.240 52.037 -0.809 0.000 0.867 163 A CB 0.314 18.637 19.000 -1.128 0.000 1.137 163 A HN 0.654 nan 8.150 nan 0.000 0.527 164 T N 4.090 118.518 114.554 -0.211 0.000 2.780 164 T HA 0.440 4.790 4.350 -0.000 0.000 0.294 164 T C -0.011 174.662 174.700 -0.044 0.000 0.949 164 T CA 0.031 61.992 62.100 -0.231 0.000 1.074 164 T CB 0.220 68.710 68.868 -0.630 0.000 0.910 164 T HN 0.386 nan 8.240 nan 0.000 0.501 165 I N 4.521 125.089 120.570 -0.004 0.000 2.382 165 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 165 I C 0.815 177.133 176.117 0.335 0.000 1.002 165 I CA -0.735 60.660 61.300 0.160 0.000 1.135 165 I CB 0.886 38.949 38.000 0.105 0.000 1.288 165 I HN 0.709 nan 8.210 nan 0.000 0.448 166 T N 1.812 116.654 114.554 0.479 0.000 2.930 166 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 166 T C 0.255 175.257 174.700 0.502 0.000 1.052 166 T CA -0.876 61.590 62.100 0.609 0.000 1.017 166 T CB 1.948 71.108 68.868 0.488 0.000 1.137 166 T HN 0.540 nan 8.240 nan 0.000 0.511 167 N N 1.502 120.438 118.700 0.393 0.000 2.714 167 N HA 0.193 4.933 4.740 -0.000 0.000 0.298 167 N C -0.858 174.704 175.510 0.087 0.000 1.298 167 N CA -0.543 52.557 53.050 0.083 0.000 1.007 167 N CB -0.238 38.158 38.487 -0.152 0.000 1.318 167 N HN 0.354 nan 8.380 nan 0.000 0.516 168 L N 1.260 122.484 121.223 0.000 0.000 2.334 168 L HA 0.505 4.845 4.340 -0.000 0.000 0.277 168 L C 0.838 177.541 176.870 -0.277 0.000 1.075 168 L CA 0.088 54.762 54.840 -0.277 0.000 0.804 168 L CB 1.396 43.254 42.059 -0.335 0.000 1.174 168 L HN 0.488 nan 8.230 nan 0.000 0.438 169 T N -1.198 113.189 114.554 -0.277 0.000 2.598 169 T HA 0.351 4.701 4.350 -0.000 0.000 0.254 169 T C 1.061 175.629 174.700 -0.220 0.000 0.889 169 T CA 0.125 62.083 62.100 -0.236 0.000 1.091 169 T CB 0.493 69.280 68.868 -0.135 0.000 1.437 169 T HN 0.322 nan 8.240 nan 0.000 0.542 170 S N 0.118 115.728 115.700 -0.150 0.000 2.383 170 S HA 0.180 4.649 4.470 -0.000 0.000 0.227 170 S C 1.626 176.166 174.600 -0.099 0.000 1.026 170 S CA 0.940 59.072 58.200 -0.114 0.000 0.981 170 S CB -0.616 62.538 63.200 -0.078 0.000 0.818 170 S HN 1.032 nan 8.310 nan 0.000 0.472 171 G N 0.420 109.166 108.800 -0.090 0.000 4.644 171 G HA2 0.553 4.513 3.960 -0.000 0.000 0.307 171 G HA3 0.553 4.513 3.960 -0.000 0.000 0.307 171 G C 0.403 175.261 174.900 -0.069 0.000 1.331 171 G CA 0.024 45.082 45.100 -0.069 0.000 1.059 171 G HN 0.725 nan 8.290 nan 0.000 0.590 172 G N 0.132 108.859 108.800 -0.122 0.000 2.548 172 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.208 172 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.208 172 G C -0.440 174.346 174.900 -0.191 0.000 1.308 172 G CA -1.044 43.967 45.100 -0.147 0.000 0.924 172 G HN 0.370 nan 8.290 nan 0.000 0.540 173 F N 1.285 121.238 119.950 0.004 0.000 2.456 173 F HA 0.546 5.073 4.527 0.000 0.000 0.358 173 F C 1.215 177.002 175.800 -0.021 0.000 1.095 173 F CA 0.669 58.674 58.000 0.008 0.000 1.216 173 F CB 1.807 40.832 39.000 0.041 0.000 1.125 173 F HN 0.426 nan 8.300 nan 0.000 0.549 174 S N 2.303 118.073 115.700 0.116 0.000 2.422 174 S HA 0.183 4.652 4.470 -0.000 0.000 0.298 174 S C 1.011 175.618 174.600 0.012 0.000 1.118 174 S CA -0.629 57.589 58.200 0.030 0.000 1.083 174 S CB 0.701 63.888 63.200 -0.021 0.000 0.971 174 S HN 0.754 nan 8.310 nan 0.000 0.478 175 T N 4.365 118.922 114.554 0.004 0.000 2.746 175 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 175 T C 1.551 176.234 174.700 -0.029 0.000 1.039 175 T CA 1.358 63.446 62.100 -0.021 0.000 1.142 175 T CB -0.286 68.567 68.868 -0.026 0.000 0.866 175 T HN 0.598 nan 8.240 nan 0.000 0.444 176 E N 0.832 121.007 120.200 -0.041 0.000 2.085 176 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 176 E C 2.064 178.656 176.600 -0.013 0.000 0.994 176 E CA 0.786 57.166 56.400 -0.034 0.000 0.801 176 E CB -0.412 29.259 29.700 -0.048 0.000 0.743 176 E HN 0.483 nan 8.360 nan 0.000 0.453 177 I N 0.053 120.593 120.570 -0.050 0.000 2.179 177 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 177 I C 2.232 178.262 176.117 -0.144 0.000 1.088 177 I CA 1.285 62.535 61.300 -0.082 0.000 1.357 177 I CB -0.483 37.464 38.000 -0.088 0.000 1.051 177 I HN 0.100 nan 8.210 nan 0.000 0.409 178 V N -1.774 118.014 119.914 -0.211 0.000 2.626 178 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 178 V C 2.371 178.356 176.094 -0.182 0.000 1.067 178 V CA 1.904 64.016 62.300 -0.312 0.000 1.081 178 V CB -1.430 30.120 31.823 -0.456 0.000 0.686 178 V HN 0.406 nan 8.190 nan 0.000 0.468 179 H N 0.487 119.456 119.070 -0.169 0.000 2.456 179 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 179 H C 2.324 177.596 175.328 -0.093 0.000 1.079 179 H CA 2.125 58.104 56.048 -0.116 0.000 1.322 179 H CB 0.124 29.834 29.762 -0.087 0.000 1.388 179 H HN 0.548 nan 8.280 nan 0.000 0.538 180 Q N -1.185 118.612 119.800 -0.004 0.000 2.339 180 Q HA 0.022 4.362 4.340 -0.000 0.000 0.205 180 Q C 2.283 178.240 176.000 -0.073 0.000 0.925 180 Q CA 0.718 56.506 55.803 -0.026 0.000 0.898 180 Q CB 0.723 29.462 28.738 0.002 0.000 1.013 180 Q HN 0.290 nan 8.270 nan 0.000 0.504 181 V N 0.990 120.835 119.914 -0.116 0.000 2.323 181 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 181 V C 2.063 178.075 176.094 -0.135 0.000 1.041 181 V CA 1.496 63.716 62.300 -0.133 0.000 1.025 181 V CB -0.342 31.358 31.823 -0.205 0.000 0.656 181 V HN 0.314 nan 8.190 nan 0.000 0.451 182 L N 0.049 121.170 121.223 -0.170 0.000 2.056 182 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 182 L C 2.400 179.217 176.870 -0.087 0.000 1.078 182 L CA 1.335 56.103 54.840 -0.120 0.000 0.749 182 L CB -0.714 41.275 42.059 -0.115 0.000 0.901 182 L HN 0.341 nan 8.230 nan 0.000 0.433 183 N N -0.014 118.603 118.700 -0.139 0.000 2.244 183 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 183 N C 0.760 176.235 175.510 -0.057 0.000 1.016 183 N CA 0.670 53.649 53.050 -0.119 0.000 0.866 183 N CB -0.270 38.109 38.487 -0.180 0.000 0.980 183 N HN 0.320 nan 8.380 nan 0.000 0.430 184 N N 1.246 119.919 118.700 -0.044 0.000 2.439 184 N HA 0.118 4.858 4.740 -0.000 0.000 0.249 184 N C -2.107 173.404 175.510 0.001 0.000 1.003 184 N CA -1.610 51.430 53.050 -0.017 0.000 0.942 184 N CB 1.896 40.375 38.487 -0.013 0.000 1.115 184 N HN -0.120 nan 8.380 nan 0.000 0.505 185 P HA -0.068 nan 4.420 nan 0.000 0.218 185 P C 0.959 178.283 177.300 0.040 0.000 1.148 185 P CA 1.362 64.481 63.100 0.032 0.000 0.822 185 P CB 0.297 32.012 31.700 0.025 0.000 0.784 186 T N -1.040 113.532 114.554 0.029 0.000 2.857 186 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 186 T C 1.938 176.662 174.700 0.041 0.000 1.048 186 T CA 1.329 63.448 62.100 0.033 0.000 1.139 186 T CB -0.813 68.069 68.868 0.023 0.000 0.874 186 T HN 0.042 nan 8.240 nan 0.000 0.455 187 A N 2.683 125.523 122.820 0.032 0.000 1.930 187 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 187 A C 2.383 180.001 177.584 0.056 0.000 1.175 187 A CA 1.451 53.507 52.037 0.031 0.000 0.627 187 A CB -0.499 18.504 19.000 0.004 0.000 0.815 187 A HN 0.621 nan 8.150 nan 0.000 0.443 188 R N -1.164 119.377 120.500 0.068 0.000 2.148 188 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 188 R C 1.560 178.009 176.300 0.249 0.000 1.088 188 R CA 1.763 57.952 56.100 0.148 0.000 0.985 188 R CB -1.039 29.351 30.300 0.150 0.000 0.880 188 R HN 0.280 nan 8.270 nan 0.000 0.451 189 T N 1.207 115.853 114.554 0.152 0.000 2.896 189 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 189 T C 1.471 176.238 174.700 0.111 0.000 1.050 189 T CA 1.423 63.595 62.100 0.121 0.000 1.140 189 T CB -0.335 68.576 68.868 0.072 0.000 0.877 189 T HN 0.341 nan 8.240 nan 0.000 0.457 190 N N 1.255 120.015 118.700 0.099 0.000 2.120 190 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 190 N C 1.742 177.323 175.510 0.118 0.000 1.024 190 N CA 0.937 54.040 53.050 0.088 0.000 0.852 190 N CB -0.517 38.010 38.487 0.066 0.000 1.003 190 N HN 0.289 nan 8.380 nan 0.000 0.424 191 L N -0.172 121.151 121.223 0.166 0.000 1.994 191 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 191 L C 2.002 179.027 176.870 0.258 0.000 1.071 191 L CA 1.119 56.098 54.840 0.232 0.000 0.745 191 L CB -0.435 41.807 42.059 0.305 0.000 0.892 191 L HN 0.071 nan 8.230 nan 0.000 0.431 192 V N 0.444 120.526 119.914 0.280 0.000 2.324 192 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 192 V C 2.284 178.447 176.094 0.114 0.000 1.060 192 V CA 2.055 64.441 62.300 0.142 0.000 1.042 192 V CB -0.855 31.004 31.823 0.059 0.000 0.650 192 V HN 0.531 nan 8.190 nan 0.000 0.450 193 N N 1.386 120.149 118.700 0.105 0.000 2.039 193 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 193 N C 1.608 177.191 175.510 0.121 0.000 1.044 193 N CA 1.993 55.100 53.050 0.095 0.000 0.847 193 N CB -0.755 37.773 38.487 0.068 0.000 1.030 193 N HN 0.780 nan 8.380 nan 0.000 0.422 194 N N 0.645 119.402 118.700 0.095 0.000 2.494 194 N HA -0.021 4.719 4.740 -0.000 0.000 0.182 194 N C 1.739 177.265 175.510 0.026 0.000 1.076 194 N CA 0.321 53.408 53.050 0.062 0.000 0.908 194 N CB -0.052 38.461 38.487 0.043 0.000 0.967 194 N HN 0.264 nan 8.380 nan 0.000 0.449 195 I N 0.627 121.230 120.570 0.055 0.000 2.163 195 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 195 I C 2.433 178.539 176.117 -0.020 0.000 1.081 195 I CA 1.280 62.580 61.300 -0.000 0.000 1.353 195 I CB -0.385 37.639 38.000 0.040 0.000 1.054 195 I HN 0.027 nan 8.210 nan 0.000 0.407 196 Y N 1.948 122.219 120.300 -0.049 0.000 2.165 196 Y HA -0.334 4.217 4.550 0.000 0.000 0.286 196 Y C 2.211 178.079 175.900 -0.054 0.000 1.155 196 Y CA 1.927 60.002 58.100 -0.042 0.000 1.164 196 Y CB -0.216 38.259 38.460 0.025 0.000 0.978 196 Y HN 0.213 nan 8.280 nan 0.000 0.513 197 D N 0.049 120.511 120.400 0.103 0.000 2.117 197 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 197 D C 2.155 178.409 176.300 -0.077 0.000 0.987 197 D CA 1.339 55.360 54.000 0.035 0.000 0.829 197 D CB -0.611 40.236 40.800 0.078 0.000 0.961 197 D HN 0.394 nan 8.370 nan 0.000 0.460 198 L N 0.637 121.796 121.223 -0.106 0.000 1.989 198 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 198 L C 2.252 179.053 176.870 -0.115 0.000 1.071 198 L CA 1.424 56.178 54.840 -0.143 0.000 0.749 198 L CB -0.491 41.405 42.059 -0.273 0.000 0.890 198 L HN -0.111 nan 8.230 nan 0.000 0.431 199 V N -0.228 119.542 119.914 -0.241 0.000 2.295 199 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 199 V C 2.727 178.568 176.094 -0.422 0.000 1.049 199 V CA 1.864 63.963 62.300 -0.335 0.000 1.024 199 V CB -1.069 30.356 31.823 -0.664 0.000 0.648 199 V HN 0.752 nan 8.190 nan 0.000 0.447 200 S N 0.945 116.331 115.700 -0.523 0.000 2.368 200 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 200 S C 2.067 176.614 174.600 -0.088 0.000 1.029 200 S CA 1.837 59.863 58.200 -0.289 0.000 0.988 200 S CB -0.975 62.061 63.200 -0.274 0.000 0.838 200 S HN 0.748 nan 8.310 nan 0.000 0.462 201 T N 0.431 114.942 114.554 -0.071 0.000 2.851 201 T HA 0.121 4.471 4.350 -0.000 0.000 0.262 201 T C 1.935 176.626 174.700 -0.014 0.000 1.043 201 T CA 0.365 62.454 62.100 -0.019 0.000 1.140 201 T CB -0.283 68.582 68.868 -0.004 0.000 0.872 201 T HN 0.217 nan 8.240 nan 0.000 0.446 202 R N 1.623 122.112 120.500 -0.017 0.000 2.193 202 R HA 0.249 4.589 4.340 -0.000 0.000 0.213 202 R C 1.966 178.211 176.300 -0.092 0.000 1.055 202 R CA 0.804 56.876 56.100 -0.046 0.000 0.995 202 R CB -1.006 29.277 30.300 -0.029 0.000 0.893 202 R HN 0.688 nan 8.270 nan 0.000 0.459 203 G N 0.566 109.346 108.800 -0.032 0.000 2.167 203 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.194 203 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.194 203 G C -0.489 174.556 174.900 0.241 0.000 1.027 203 G CA -0.392 44.760 45.100 0.087 0.000 0.717 203 G HN 0.186 nan 8.290 nan 0.000 0.501 204 Y N -0.234 120.139 120.300 0.121 0.000 2.379 204 Y HA 0.430 4.980 4.550 0.000 0.000 0.337 204 Y C 1.821 177.839 175.900 0.195 0.000 1.238 204 Y CA 1.166 59.309 58.100 0.071 0.000 1.405 204 Y CB 1.274 39.678 38.460 -0.093 0.000 1.310 204 Y HN 0.103 nan 8.280 nan 0.000 0.569 205 G N 0.080 109.108 108.800 0.380 0.000 3.042 205 G HA2 0.441 4.401 3.960 -0.000 0.000 0.212 205 G HA3 0.441 4.401 3.960 -0.000 0.000 0.212 205 G C 0.391 175.496 174.900 0.340 0.000 1.166 205 G CA 0.552 45.933 45.100 0.469 0.000 0.767 205 G HN 1.074 nan 8.290 nan 0.000 0.546 206 G N -1.736 107.160 108.800 0.159 0.000 2.350 206 G HA2 0.351 4.311 3.960 -0.000 0.000 0.276 206 G HA3 0.351 4.311 3.960 -0.000 0.000 0.276 206 G C -1.940 172.914 174.900 -0.076 0.000 1.313 206 G CA -0.029 45.114 45.100 0.072 0.000 0.903 206 G HN 0.581 nan 8.290 nan 0.000 0.490 207 V N -0.345 119.521 119.914 -0.081 0.000 2.962 207 V HA 0.818 4.938 4.120 -0.000 0.000 0.313 207 V C -0.474 175.542 176.094 -0.131 0.000 1.099 207 V CA -0.393 61.815 62.300 -0.154 0.000 0.971 207 V CB 2.462 34.189 31.823 -0.160 0.000 1.028 207 V HN 1.044 nan 8.190 nan 0.000 0.430 208 T N 5.730 120.197 114.554 -0.144 0.000 2.864 208 T HA 0.490 4.839 4.350 -0.000 0.000 0.310 208 T C -0.402 174.206 174.700 -0.154 0.000 1.040 208 T CA -0.257 61.766 62.100 -0.129 0.000 0.977 208 T CB 0.478 69.334 68.868 -0.019 0.000 0.976 208 T HN 0.304 nan 8.240 nan 0.000 0.459 209 I N 3.608 124.065 120.570 -0.189 0.000 2.436 209 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 209 I C 0.482 176.524 176.117 -0.125 0.000 1.083 209 I CA -0.261 60.880 61.300 -0.265 0.000 1.372 209 I CB 0.467 38.277 38.000 -0.317 0.000 1.408 209 I HN 0.640 nan 8.210 nan 0.000 0.516 210 D N 7.439 127.823 120.400 -0.026 0.000 2.456 210 D HA 0.244 4.884 4.640 -0.000 0.000 0.287 210 D C -1.076 175.490 176.300 0.443 0.000 1.186 210 D CA -0.289 53.825 54.000 0.189 0.000 0.916 210 D CB 0.105 41.063 40.800 0.263 0.000 1.029 210 D HN -0.013 nan 8.370 nan 0.000 0.498 211 F N 1.751 121.824 119.950 0.204 0.000 2.361 211 F HA 0.425 4.952 4.527 -0.000 0.000 0.364 211 F C 0.941 176.758 175.800 0.029 0.000 1.120 211 F CA -0.962 57.106 58.000 0.115 0.000 1.102 211 F CB 0.762 39.761 39.000 -0.001 0.000 1.183 211 F HN 0.131 nan 8.300 nan 0.000 0.476 212 E N 1.622 121.853 120.200 0.053 0.000 2.232 212 E HA 0.293 4.643 4.350 -0.000 0.000 0.264 212 E C -0.315 176.272 176.600 -0.022 0.000 0.973 212 E CA -0.793 55.501 56.400 -0.177 0.000 0.849 212 E CB 0.985 30.104 29.700 -0.969 0.000 1.198 212 E HN 0.282 nan 8.360 nan 0.000 0.407 213 Q N -0.692 119.128 119.800 0.033 0.000 2.434 213 Q HA -0.161 4.179 4.340 -0.000 0.000 0.299 213 Q C -0.793 175.219 176.000 0.018 0.000 1.286 213 Q CA 0.417 56.260 55.803 0.067 0.000 0.872 213 Q CB -1.938 26.834 28.738 0.057 0.000 1.193 213 Q HN 0.279 nan 8.270 nan 0.000 0.466 214 V N 1.798 121.692 119.914 -0.034 0.000 2.521 214 V HA 0.108 4.227 4.120 -0.000 0.000 0.286 214 V C 1.220 177.205 176.094 -0.181 0.000 1.034 214 V CA 0.562 62.705 62.300 -0.261 0.000 1.045 214 V CB 1.371 32.776 31.823 -0.695 0.000 0.974 214 V HN 0.524 nan 8.190 nan 0.000 0.480 215 S N 4.849 120.496 115.700 -0.089 0.000 2.579 215 S HA 0.328 4.798 4.470 -0.000 0.000 0.275 215 S C 1.360 175.941 174.600 -0.031 0.000 1.345 215 S CA 0.008 58.206 58.200 -0.004 0.000 1.031 215 S CB 1.385 64.648 63.200 0.105 0.000 0.892 215 S HN 1.028 nan 8.310 nan 0.000 0.529 216 A N 2.549 125.374 122.820 0.008 0.000 1.972 216 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 216 A C 2.337 179.925 177.584 0.007 0.000 1.169 216 A CA 1.557 53.595 52.037 0.002 0.000 0.635 216 A CB -1.490 17.522 19.000 0.020 0.000 0.810 216 A HN 1.395 nan 8.150 nan 0.000 0.446 217 A N -0.493 122.344 122.820 0.029 0.000 2.066 217 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 217 A C 1.127 178.709 177.584 -0.003 0.000 1.157 217 A CA 1.395 53.449 52.037 0.028 0.000 0.670 217 A CB -0.215 18.825 19.000 0.067 0.000 0.804 217 A HN 0.383 nan 8.150 nan 0.000 0.453 218 D N -0.915 119.471 120.400 -0.024 0.000 2.395 218 D HA 0.066 4.706 4.640 -0.000 0.000 0.226 218 D C 1.549 177.854 176.300 0.007 0.000 1.146 218 D CA -0.068 53.903 54.000 -0.049 0.000 0.830 218 D CB -0.082 40.649 40.800 -0.116 0.000 0.958 218 D HN 0.492 nan 8.370 nan 0.000 0.501 219 R N 1.031 121.539 120.500 0.013 0.000 2.113 219 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 219 R C 0.816 177.178 176.300 0.103 0.000 1.129 219 R CA 1.587 57.718 56.100 0.051 0.000 0.915 219 R CB 0.110 30.432 30.300 0.036 0.000 0.837 219 R HN -0.037 nan 8.270 nan 0.000 0.430 220 D N 0.284 120.725 120.400 0.068 0.000 2.269 220 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 220 D C 1.792 178.138 176.300 0.077 0.000 0.963 220 D CA 0.516 54.552 54.000 0.061 0.000 0.864 220 D CB -0.002 40.820 40.800 0.037 0.000 0.936 220 D HN 0.172 nan 8.370 nan 0.000 0.505 221 L N -0.236 121.040 121.223 0.089 0.000 2.156 221 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 221 L C 1.921 178.922 176.870 0.217 0.000 1.095 221 L CA 0.975 55.879 54.840 0.106 0.000 0.770 221 L CB -0.572 41.515 42.059 0.048 0.000 0.914 221 L HN -0.002 nan 8.230 nan 0.000 0.439 222 F N -0.609 119.374 119.950 0.055 0.000 2.186 222 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 222 F C 2.185 178.091 175.800 0.175 0.000 1.090 222 F CA 1.470 59.549 58.000 0.131 0.000 1.307 222 F CB 0.039 39.070 39.000 0.052 0.000 1.019 222 F HN 0.039 nan 8.300 nan 0.000 0.489 223 T N -0.309 114.255 114.554 0.017 0.000 2.746 223 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 223 T C 2.071 176.732 174.700 -0.064 0.000 1.039 223 T CA 1.293 63.333 62.100 -0.101 0.000 1.142 223 T CB -1.124 67.727 68.868 -0.029 0.000 0.866 223 T HN 0.469 nan 8.240 nan 0.000 0.444 224 G N 0.803 109.618 108.800 0.024 0.000 2.422 224 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 224 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 224 G C 1.360 176.294 174.900 0.057 0.000 1.146 224 G CA 0.545 45.665 45.100 0.032 0.000 0.769 224 G HN 0.509 nan 8.290 nan 0.000 0.547 225 F N 1.234 121.181 119.950 -0.006 0.000 2.134 225 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 225 F C 2.269 178.046 175.800 -0.038 0.000 1.097 225 F CA 1.120 59.135 58.000 0.026 0.000 1.264 225 F CB -0.200 38.886 39.000 0.144 0.000 1.001 225 F HN 0.058 nan 8.300 nan 0.000 0.479 226 L N 0.038 121.041 121.223 -0.367 0.000 2.093 226 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 226 L C 2.701 179.365 176.870 -0.344 0.000 1.085 226 L CA 1.395 55.936 54.840 -0.499 0.000 0.755 226 L CB -0.688 41.108 42.059 -0.439 0.000 0.904 226 L HN 0.093 nan 8.230 nan 0.000 0.435 227 R N 0.166 120.530 120.500 -0.227 0.000 2.073 227 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 227 R C 2.364 178.569 176.300 -0.158 0.000 1.134 227 R CA 1.689 57.692 56.100 -0.161 0.000 0.952 227 R CB -0.222 30.016 30.300 -0.103 0.000 0.850 227 R HN 0.315 nan 8.270 nan 0.000 0.433 228 Q N -0.068 119.637 119.800 -0.157 0.000 2.291 228 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 228 Q C 1.733 177.623 176.000 -0.183 0.000 0.976 228 Q CA 1.176 56.900 55.803 -0.132 0.000 0.875 228 Q CB 0.086 28.781 28.738 -0.071 0.000 0.927 228 Q HN 0.345 nan 8.270 nan 0.000 0.450 229 L N -0.246 120.794 121.223 -0.304 0.000 2.354 229 L HA 0.092 4.432 4.340 -0.000 0.000 0.212 229 L C 2.066 178.835 176.870 -0.169 0.000 1.091 229 L CA 1.018 55.687 54.840 -0.285 0.000 0.828 229 L CB -0.124 41.629 42.059 -0.509 0.000 0.973 229 L HN -0.010 nan 8.230 nan 0.000 0.461 230 R N 0.196 120.594 120.500 -0.170 0.000 2.090 230 R HA -0.094 4.246 4.340 -0.000 0.000 0.228 230 R C 1.685 177.944 176.300 -0.068 0.000 1.110 230 R CA 1.672 57.705 56.100 -0.111 0.000 0.973 230 R CB -0.718 29.504 30.300 -0.130 0.000 0.869 230 R HN 0.355 nan 8.270 nan 0.000 0.440 231 D N 0.394 120.746 120.400 -0.080 0.000 2.156 231 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 231 D C 1.860 178.129 176.300 -0.052 0.000 0.998 231 D CA 1.359 55.321 54.000 -0.065 0.000 0.842 231 D CB -0.263 40.492 40.800 -0.074 0.000 0.974 231 D HN 0.129 nan 8.370 nan 0.000 0.447 232 R N 0.158 120.619 120.500 -0.065 0.000 2.105 232 R HA -0.049 4.291 4.340 -0.000 0.000 0.239 232 R C 2.599 178.932 176.300 0.055 0.000 1.135 232 R CA 0.420 56.468 56.100 -0.087 0.000 0.967 232 R CB -0.708 29.523 30.300 -0.114 0.000 0.861 232 R HN 0.319 nan 8.270 nan 0.000 0.442 233 L N 0.777 122.091 121.223 0.152 0.000 2.044 233 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 233 L C 2.725 179.743 176.870 0.248 0.000 1.075 233 L CA 1.435 56.472 54.840 0.328 0.000 0.747 233 L CB -0.470 41.712 42.059 0.205 0.000 0.903 233 L HN 0.250 nan 8.230 nan 0.000 0.435 234 Q N 0.065 119.922 119.800 0.095 0.000 2.378 234 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 234 Q C 2.049 178.049 176.000 0.000 0.000 0.954 234 Q CA 1.086 56.908 55.803 0.031 0.000 0.901 234 Q CB -0.155 28.582 28.738 -0.002 0.000 0.981 234 Q HN 0.373 nan 8.270 nan 0.000 0.483 235 A N 1.362 124.190 122.820 0.014 0.000 1.972 235 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 235 A C 2.211 179.799 177.584 0.007 0.000 1.169 235 A CA 1.333 53.364 52.037 -0.010 0.000 0.635 235 A CB -0.839 18.136 19.000 -0.041 0.000 0.810 235 A HN 0.567 nan 8.150 nan 0.000 0.446 236 G N -2.035 106.820 108.800 0.091 0.000 3.042 236 G HA2 0.380 4.340 3.960 -0.000 0.000 0.212 236 G HA3 0.380 4.340 3.960 -0.000 0.000 0.212 236 G C 1.025 175.611 174.900 -0.524 0.000 1.166 236 G CA 0.492 45.580 45.100 -0.020 0.000 0.767 236 G HN 1.629 nan 8.290 nan 0.000 0.546 237 G N -0.804 107.804 108.800 -0.320 0.000 2.204 237 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 237 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 237 G C -0.210 174.507 174.900 -0.305 0.000 1.062 237 G CA -0.129 44.797 45.100 -0.290 0.000 0.798 237 G HN 0.502 nan 8.290 nan 0.000 0.496 238 Y N -1.174 119.180 120.300 0.091 0.000 2.409 238 Y HA 0.546 5.096 4.550 -0.000 0.000 0.339 238 Y C 0.883 176.819 175.900 0.060 0.000 1.033 238 Y CA -1.524 56.624 58.100 0.080 0.000 1.094 238 Y CB 1.984 40.475 38.460 0.053 0.000 1.210 238 Y HN 0.097 nan 8.280 nan 0.000 0.456 239 V N 4.437 124.496 119.914 0.240 0.000 2.614 239 V HA 0.047 4.167 4.120 -0.000 0.000 0.291 239 V C -0.292 175.847 176.094 0.075 0.000 1.049 239 V CA -0.391 61.998 62.300 0.149 0.000 1.038 239 V CB 0.996 32.924 31.823 0.175 0.000 0.980 239 V HN 0.471 nan 8.190 nan 0.000 0.481 240 L N 6.113 127.345 121.223 0.015 0.000 2.280 240 L HA 0.710 5.050 4.340 -0.000 0.000 0.287 240 L C 0.251 177.055 176.870 -0.110 0.000 1.023 240 L CA 0.390 55.188 54.840 -0.069 0.000 0.819 240 L CB 1.418 43.410 42.059 -0.111 0.000 1.212 240 L HN 0.931 nan 8.230 nan 0.000 0.420 241 T N 2.897 117.344 114.554 -0.179 0.000 2.930 241 T HA 0.742 5.092 4.350 -0.000 0.000 0.290 241 T C -0.503 173.963 174.700 -0.391 0.000 1.052 241 T CA -0.716 61.161 62.100 -0.371 0.000 1.017 241 T CB 1.628 70.120 68.868 -0.626 0.000 1.137 241 T HN 0.649 nan 8.240 nan 0.000 0.511 242 I N 0.514 120.793 120.570 -0.486 0.000 2.722 242 I HA 0.662 4.832 4.170 -0.000 0.000 0.295 242 I C -1.131 174.841 176.117 -0.242 0.000 1.161 242 I CA -1.321 59.810 61.300 -0.282 0.000 1.032 242 I CB 1.918 39.815 38.000 -0.172 0.000 1.244 242 I HN 1.038 nan 8.210 nan 0.000 0.421 243 A N 7.353 130.133 122.820 -0.067 0.000 2.249 243 A HA 0.668 4.988 4.320 -0.000 0.000 0.314 243 A C -0.801 176.766 177.584 -0.029 0.000 1.290 243 A CA -0.437 51.603 52.037 0.004 0.000 0.893 243 A CB 0.665 19.691 19.000 0.044 0.000 1.165 243 A HN 0.651 nan 8.150 nan 0.000 0.530 244 V N 0.747 120.611 119.914 -0.082 0.000 2.715 244 V HA 0.791 4.911 4.120 -0.000 0.000 0.310 244 V C -2.746 173.211 176.094 -0.228 0.000 1.054 244 V CA -2.629 59.561 62.300 -0.184 0.000 0.928 244 V CB 1.700 33.455 31.823 -0.114 0.000 1.007 244 V HN 0.695 nan 8.190 nan 0.000 0.437 245 P HA 0.304 nan 4.420 nan 0.000 0.275 245 P C -0.210 176.988 177.300 -0.170 0.000 1.228 245 P CA 0.097 62.997 63.100 -0.334 0.000 0.786 245 P CB 1.029 32.499 31.700 -0.382 0.000 0.927 246 A N 3.815 126.499 122.820 -0.227 0.000 2.492 246 A HA 0.214 4.534 4.320 -0.000 0.000 0.254 246 A C 0.347 177.889 177.584 -0.071 0.000 1.091 246 A CA 0.144 52.143 52.037 -0.064 0.000 0.768 246 A CB -0.310 18.580 19.000 -0.184 0.000 1.028 246 A HN 0.419 nan 8.150 nan 0.000 0.498 247 K N 1.443 121.823 120.400 -0.034 0.000 2.259 247 K HA 0.446 4.766 4.320 -0.000 0.000 0.252 247 K C 0.502 176.919 176.600 -0.305 0.000 0.936 247 K CA -0.050 56.048 56.287 -0.315 0.000 0.810 247 K CB 1.867 33.959 32.500 -0.681 0.000 1.143 247 K HN 0.787 nan 8.250 nan 0.000 0.427 248 T N -3.005 111.285 114.554 -0.441 0.000 2.985 248 T HA 0.079 4.429 4.350 -0.000 0.000 0.254 248 T C 0.757 174.956 174.700 -0.835 0.000 1.021 248 T CA 0.041 61.901 62.100 -0.401 0.000 0.957 248 T CB 0.120 68.904 68.868 -0.139 0.000 1.047 248 T HN 0.541 nan 8.240 nan 0.000 0.511 249 S N 0.006 115.016 115.700 -1.151 0.000 2.790 249 S HA 0.553 5.023 4.470 -0.000 0.000 0.292 249 S C -1.065 172.973 174.600 -0.938 0.000 1.197 249 S CA -0.609 56.961 58.200 -1.050 0.000 0.851 249 S CB 1.378 64.317 63.200 -0.436 0.000 1.217 249 S HN 0.005 nan 8.310 nan 0.000 0.526 250 D N -0.843 119.329 120.400 -0.381 0.000 2.538 250 D HA 0.410 5.050 4.640 -0.000 0.000 0.231 250 D C 0.674 176.874 176.300 -0.166 0.000 1.229 250 D CA -0.073 53.824 54.000 -0.171 0.000 0.828 250 D CB -0.234 40.598 40.800 0.053 0.000 1.035 250 D HN 0.536 nan 8.370 nan 0.000 0.495 251 N N -0.239 118.326 118.700 -0.226 0.000 2.349 251 N HA 0.128 4.868 4.740 -0.000 0.000 0.180 251 N C 0.419 175.783 175.510 -0.243 0.000 1.024 251 N CA 0.183 53.120 53.050 -0.187 0.000 0.869 251 N CB 0.256 38.647 38.487 -0.160 0.000 1.022 251 N HN 0.230 nan 8.380 nan 0.000 0.433 252 I N 0.307 120.653 120.570 -0.373 0.000 2.587 252 I HA 0.182 4.352 4.170 -0.000 0.000 0.284 252 I C -2.070 173.675 176.117 -0.620 0.000 1.134 252 I CA -1.542 59.400 61.300 -0.596 0.000 1.410 252 I CB 0.674 38.114 38.000 -0.933 0.000 1.392 252 I HN -0.130 nan 8.210 nan 0.000 0.545 253 P HA -0.041 nan 4.420 nan 0.000 0.225 253 P C 1.088 178.349 177.300 -0.065 0.000 1.156 253 P CA 0.857 63.860 63.100 -0.163 0.000 0.787 253 P CB -0.099 31.588 31.700 -0.021 0.000 0.802 254 W N 0.934 122.232 121.300 -0.003 0.000 2.595 254 W HA 0.104 4.764 4.660 -0.000 0.000 0.257 254 W C 0.339 176.880 176.519 0.038 0.000 1.267 254 W CA 0.271 57.618 57.345 0.004 0.000 1.300 254 W CB -1.456 27.998 29.460 -0.009 0.000 1.120 254 W HN -0.180 nan 8.180 nan 0.000 0.618 255 L N 0.675 121.827 121.223 -0.119 0.000 3.209 255 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 255 L C 1.422 178.341 176.870 0.083 0.000 1.301 255 L CA -0.590 54.304 54.840 0.089 0.000 1.004 255 L CB -0.593 41.486 42.059 0.032 0.000 1.402 255 L HN 0.120 nan 8.230 nan 0.000 0.577 256 R N -0.856 119.643 120.500 -0.001 0.000 2.334 256 R HA 0.346 4.686 4.340 -0.000 0.000 0.216 256 R C 1.381 177.696 176.300 0.025 0.000 0.905 256 R CA 0.597 56.697 56.100 0.001 0.000 1.064 256 R CB -0.189 30.078 30.300 -0.055 0.000 1.046 256 R HN 0.263 nan 8.270 nan 0.000 0.508 257 G N 0.143 108.922 108.800 -0.035 0.000 2.848 257 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.208 257 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.208 257 G C -0.492 174.272 174.900 -0.226 0.000 1.152 257 G CA -0.044 44.950 45.100 -0.176 0.000 0.789 257 G HN 0.303 nan 8.290 nan 0.000 0.531 258 Y N 0.773 121.184 120.300 0.184 0.000 2.717 258 Y HA 0.304 4.854 4.550 -0.000 0.000 0.329 258 Y C -0.350 175.717 175.900 0.278 0.000 1.017 258 Y CA -1.877 56.399 58.100 0.293 0.000 1.275 258 Y CB 0.897 39.547 38.460 0.316 0.000 1.109 258 Y HN -0.069 nan 8.280 nan 0.000 0.511 259 D N 1.962 122.555 120.400 0.322 0.000 2.383 259 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 259 D C 0.627 177.107 176.300 0.300 0.000 1.263 259 D CA 0.221 54.368 54.000 0.246 0.000 0.936 259 D CB 0.247 41.129 40.800 0.136 0.000 1.053 259 D HN 0.401 nan 8.370 nan 0.000 0.507 260 Y N 2.523 122.889 120.300 0.110 0.000 2.165 260 Y HA -0.085 4.464 4.550 -0.000 0.000 0.286 260 Y C 2.401 178.275 175.900 -0.043 0.000 1.155 260 Y CA 1.605 59.727 58.100 0.037 0.000 1.164 260 Y CB -0.689 37.772 38.460 0.001 0.000 0.978 260 Y HN 0.548 nan 8.280 nan 0.000 0.513 261 G N -1.079 107.778 108.800 0.095 0.000 2.421 261 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 261 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 261 G C 2.071 176.964 174.900 -0.012 0.000 1.171 261 G CA 0.920 46.021 45.100 0.002 0.000 0.775 261 G HN 0.533 nan 8.290 nan 0.000 0.543 262 G N 0.787 109.592 108.800 0.008 0.000 2.394 262 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.215 262 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.215 262 G C 1.787 176.652 174.900 -0.058 0.000 1.165 262 G CA 0.673 45.761 45.100 -0.020 0.000 0.784 262 G HN 0.424 nan 8.290 nan 0.000 0.535 263 I N 1.328 121.867 120.570 -0.051 0.000 2.226 263 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 263 I C 3.042 179.075 176.117 -0.139 0.000 1.100 263 I CA 1.076 62.307 61.300 -0.114 0.000 1.374 263 I CB -0.317 37.637 38.000 -0.077 0.000 1.057 263 I HN 0.240 nan 8.210 nan 0.000 0.413 264 G N 0.226 108.952 108.800 -0.123 0.000 2.432 264 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 264 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 264 G C 1.797 176.619 174.900 -0.130 0.000 1.135 264 G CA 0.764 45.780 45.100 -0.140 0.000 0.767 264 G HN 0.497 nan 8.290 nan 0.000 0.550 265 A N -0.282 122.474 122.820 -0.107 0.000 2.014 265 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 265 A C 2.469 179.984 177.584 -0.114 0.000 1.163 265 A CA 1.504 53.482 52.037 -0.099 0.000 0.652 265 A CB -0.147 18.807 19.000 -0.076 0.000 0.808 265 A HN 0.235 nan 8.150 nan 0.000 0.449 266 V N -0.013 119.823 119.914 -0.130 0.000 2.436 266 V HA -0.029 4.091 4.120 -0.000 0.000 0.240 266 V C 1.436 177.431 176.094 -0.165 0.000 1.040 266 V CA 1.057 63.271 62.300 -0.144 0.000 1.052 266 V CB -0.416 31.311 31.823 -0.160 0.000 0.707 266 V HN 0.479 nan 8.190 nan 0.000 0.469 267 V N -0.304 119.497 119.914 -0.188 0.000 3.096 267 V HA 0.171 4.291 4.120 -0.000 0.000 0.306 267 V C 1.003 176.959 176.094 -0.229 0.000 1.088 267 V CA 0.279 62.457 62.300 -0.203 0.000 1.129 267 V CB 0.216 31.906 31.823 -0.221 0.000 1.014 267 V HN 0.458 nan 8.190 nan 0.000 0.486 268 N N 1.039 119.597 118.700 -0.238 0.000 2.216 268 N HA 0.125 4.865 4.740 -0.000 0.000 0.183 268 N C -0.749 174.316 175.510 -0.742 0.000 1.017 268 N CA 1.380 54.187 53.050 -0.406 0.000 0.861 268 N CB -0.101 38.240 38.487 -0.243 0.000 0.986 268 N HN 0.794 nan 8.380 nan 0.000 0.428 269 Y N -0.645 119.551 120.300 -0.172 0.000 2.504 269 Y HA 0.450 5.000 4.550 0.000 0.000 0.344 269 Y C -0.836 174.868 175.900 -0.327 0.000 1.023 269 Y CA -0.814 57.175 58.100 -0.185 0.000 1.020 269 Y CB 1.462 39.852 38.460 -0.117 0.000 1.282 269 Y HN -0.217 nan 8.280 nan 0.000 0.454 270 M N 3.573 123.131 119.600 -0.070 0.000 2.167 270 M HA 0.438 4.918 4.480 -0.000 0.000 0.333 270 M C -1.675 174.664 176.300 0.066 0.000 1.030 270 M CA -0.611 54.602 55.300 -0.144 0.000 0.963 270 M CB 0.873 33.368 32.600 -0.175 0.000 1.589 270 M HN 0.428 nan 8.290 nan 0.000 0.431 271 F N 4.846 124.782 119.950 -0.023 0.000 2.350 271 F HA 0.424 4.951 4.527 -0.000 0.000 0.365 271 F C 0.097 175.852 175.800 -0.074 0.000 1.122 271 F CA -1.081 56.911 58.000 -0.014 0.000 1.139 271 F CB 0.039 38.985 39.000 -0.090 0.000 1.220 271 F HN 0.379 nan 8.300 nan 0.000 0.499 272 I N 5.104 125.769 120.570 0.158 0.000 2.312 272 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 272 I C 0.134 176.276 176.117 0.042 0.000 1.031 272 I CA -0.392 60.945 61.300 0.062 0.000 1.293 272 I CB 0.791 38.844 38.000 0.088 0.000 1.403 272 I HN 0.293 nan 8.210 nan 0.000 0.484 273 M N 6.416 125.954 119.600 -0.104 0.000 3.254 273 M HA 0.163 4.643 4.480 -0.000 0.000 0.257 273 M C 0.575 176.521 176.300 -0.590 0.000 1.490 273 M CA -0.085 55.018 55.300 -0.327 0.000 1.620 273 M CB -0.289 32.030 32.600 -0.468 0.000 1.157 273 M HN 0.594 nan 8.290 nan 0.000 0.541 274 A N 4.529 127.251 122.820 -0.163 0.000 3.118 274 A HA 0.437 4.757 4.320 -0.000 0.000 0.256 274 A C -0.508 177.142 177.584 0.110 0.000 1.667 274 A CA -0.269 51.746 52.037 -0.037 0.000 1.338 274 A CB -0.853 18.329 19.000 0.304 0.000 1.127 274 A HN 0.709 nan 8.150 nan 0.000 0.634 275 Y N -4.260 115.949 120.300 -0.151 0.000 2.764 275 Y HA 0.574 5.124 4.550 0.000 0.000 0.331 275 Y C -0.331 175.489 175.900 -0.134 0.000 1.280 275 Y CA -1.699 56.428 58.100 0.045 0.000 1.065 275 Y CB 0.379 38.965 38.460 0.209 0.000 1.319 275 Y HN 0.190 nan 8.280 nan 0.000 0.453 276 D N -0.383 120.255 120.400 0.397 0.000 2.800 276 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 276 D C 0.242 176.585 176.300 0.073 0.000 1.137 276 D CA 1.030 55.206 54.000 0.293 0.000 0.718 276 D CB -0.845 40.109 40.800 0.256 0.000 1.084 276 D HN 0.790 nan 8.370 nan 0.000 0.432 277 W N -0.226 121.134 121.300 0.099 0.000 2.467 277 W HA -0.054 4.606 4.660 -0.000 0.000 0.275 277 W C 1.127 177.422 176.519 -0.372 0.000 1.239 277 W CA 0.870 58.147 57.345 -0.114 0.000 1.266 277 W CB 0.037 29.400 29.460 -0.161 0.000 1.112 277 W HN 0.252 nan 8.180 nan 0.000 0.576 278 H N -0.840 118.367 119.070 0.229 0.000 2.529 278 H HA 0.296 4.851 4.556 -0.000 0.000 0.348 278 H C -0.454 174.974 175.328 0.166 0.000 1.079 278 H CA -0.161 55.925 56.048 0.064 0.000 1.198 278 H CB 1.704 31.381 29.762 -0.142 0.000 1.521 278 H HN 0.096 nan 8.280 nan 0.000 0.514 279 H N -0.619 118.464 119.070 0.023 0.000 3.476 279 H HA 0.622 5.177 4.556 -0.000 0.000 0.317 279 H C 0.841 175.769 175.328 -0.666 0.000 1.674 279 H CA -0.419 55.275 56.048 -0.590 0.000 1.247 279 H CB 0.392 29.999 29.762 -0.259 0.000 1.740 279 H HN 0.419 nan 8.280 nan 0.000 0.667 280 A N -0.194 122.255 122.820 -0.618 0.000 1.933 280 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 280 A C 2.024 179.573 177.584 -0.058 0.000 1.175 280 A CA 1.567 53.419 52.037 -0.308 0.000 0.628 280 A CB -1.397 17.556 19.000 -0.078 0.000 0.814 280 A HN 0.858 nan 8.150 nan 0.000 0.444 281 G N -0.691 108.131 108.800 0.037 0.000 3.371 281 G HA2 0.384 4.344 3.960 -0.000 0.000 0.248 281 G HA3 0.384 4.344 3.960 -0.000 0.000 0.248 281 G C 0.459 175.293 174.900 -0.110 0.000 1.161 281 G CA 0.802 45.938 45.100 0.059 0.000 0.796 281 G HN 0.790 nan 8.290 nan 0.000 0.539 282 S N -0.464 115.021 115.700 -0.358 0.000 2.745 282 S HA 0.577 5.046 4.470 -0.000 0.000 0.306 282 S C -0.062 174.204 174.600 -0.557 0.000 1.137 282 S CA -0.694 57.249 58.200 -0.429 0.000 0.900 282 S CB 1.753 64.529 63.200 -0.706 0.000 1.176 282 S HN 0.246 nan 8.310 nan 0.000 0.520 283 E N 0.900 120.585 120.200 -0.860 0.000 2.404 283 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 283 E C -2.519 173.266 176.600 -1.357 0.000 1.074 283 E CA -1.625 53.971 56.400 -1.339 0.000 0.917 283 E CB -0.556 28.632 29.700 -0.852 0.000 0.965 283 E HN 0.444 nan 8.360 nan 0.000 0.433 284 P HA 0.179 nan 4.420 nan 0.000 0.266 284 P C -0.022 176.269 177.300 -1.681 0.000 1.195 284 P CA 0.421 62.192 63.100 -2.215 0.000 0.768 284 P CB 0.684 31.718 31.700 -1.111 0.000 0.838 285 G N 2.524 110.150 108.800 -1.956 0.000 2.313 285 G HA2 0.325 4.285 3.960 -0.000 0.000 0.296 285 G HA3 0.325 4.285 3.960 -0.000 0.000 0.296 285 G C -3.511 170.265 174.900 -1.873 0.000 1.356 285 G CA -0.912 42.777 45.100 -2.353 0.000 0.833 285 G HN 0.178 nan 8.290 nan 0.000 0.552 286 P HA 0.227 nan 4.420 nan 0.000 0.268 286 P C 1.456 178.772 177.300 0.025 0.000 1.204 286 P CA 0.059 62.738 63.100 -0.702 0.000 0.768 286 P CB 1.148 32.391 31.700 -0.762 0.000 0.842 287 V N 1.481 121.585 119.914 0.317 0.000 2.427 287 V HA 0.072 4.192 4.120 -0.000 0.000 0.248 287 V C 0.994 177.410 176.094 0.536 0.000 1.051 287 V CA 1.693 64.290 62.300 0.495 0.000 1.048 287 V CB -1.378 30.774 31.823 0.549 0.000 0.666 287 V HN 0.542 nan 8.190 nan 0.000 0.456 288 A N 1.417 124.500 122.820 0.437 0.000 3.300 288 A HA 0.652 4.972 4.320 -0.000 0.000 0.300 288 A C -2.864 174.854 177.584 0.225 0.000 1.099 288 A CA -1.047 51.298 52.037 0.512 0.000 0.846 288 A CB 0.247 19.555 19.000 0.514 0.000 1.255 288 A HN 0.414 nan 8.150 nan 0.000 0.519 289 P HA 0.152 nan 4.420 nan 0.000 0.275 289 P C 0.842 178.110 177.300 -0.053 0.000 1.227 289 P CA -0.185 62.891 63.100 -0.042 0.000 0.781 289 P CB 1.115 32.707 31.700 -0.180 0.000 0.906 290 I N 2.987 123.585 120.570 0.047 0.000 2.700 290 I HA -0.211 3.959 4.170 -0.000 0.000 0.261 290 I C 1.991 178.101 176.117 -0.012 0.000 1.219 290 I CA 1.969 63.295 61.300 0.044 0.000 1.463 290 I CB -0.772 37.282 38.000 0.092 0.000 1.092 290 I HN 0.424 nan 8.210 nan 0.000 0.452 291 T N -2.600 111.929 114.554 -0.041 0.000 2.812 291 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 291 T C 1.715 176.302 174.700 -0.187 0.000 1.042 291 T CA 0.904 62.959 62.100 -0.075 0.000 1.140 291 T CB -0.339 68.508 68.868 -0.035 0.000 0.870 291 T HN 0.246 nan 8.240 nan 0.000 0.445 292 E N 1.034 120.991 120.200 -0.406 0.000 2.285 292 E HA 0.189 4.539 4.350 -0.000 0.000 0.194 292 E C 2.184 178.501 176.600 -0.471 0.000 0.997 292 E CA 0.288 56.276 56.400 -0.686 0.000 0.845 292 E CB -0.251 28.445 29.700 -1.673 0.000 0.782 292 E HN 0.589 nan 8.360 nan 0.000 0.491 293 I N 0.663 121.067 120.570 -0.276 0.000 2.286 293 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 293 I C 2.748 178.865 176.117 0.000 0.000 1.104 293 I CA 0.809 62.114 61.300 0.008 0.000 1.397 293 I CB -0.177 37.881 38.000 0.097 0.000 1.072 293 I HN -0.001 nan 8.210 nan 0.000 0.417 294 R N 1.198 121.682 120.500 -0.027 0.000 2.081 294 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 294 R C 2.465 178.734 176.300 -0.052 0.000 1.131 294 R CA 1.483 57.562 56.100 -0.034 0.000 0.960 294 R CB -0.092 30.237 30.300 0.048 0.000 0.856 294 R HN 0.247 nan 8.270 nan 0.000 0.436 295 R N -0.751 119.728 120.500 -0.035 0.000 2.096 295 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 295 R C 2.224 178.560 176.300 0.060 0.000 1.127 295 R CA 1.943 58.039 56.100 -0.006 0.000 0.968 295 R CB -0.298 29.971 30.300 -0.051 0.000 0.861 295 R HN 0.285 nan 8.270 nan 0.000 0.440 296 T N 1.355 115.965 114.554 0.094 0.000 2.708 296 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 296 T C 1.920 176.733 174.700 0.189 0.000 1.037 296 T CA 1.183 63.411 62.100 0.214 0.000 1.146 296 T CB -0.155 68.901 68.868 0.314 0.000 0.865 296 T HN 0.129 nan 8.240 nan 0.000 0.435 297 I N 1.031 121.617 120.570 0.028 0.000 2.127 297 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 297 I C 2.710 178.749 176.117 -0.130 0.000 1.075 297 I CA 1.533 62.757 61.300 -0.127 0.000 1.334 297 I CB -0.404 37.330 38.000 -0.443 0.000 1.040 297 I HN 0.329 nan 8.210 nan 0.000 0.405 298 E N 0.146 120.272 120.200 -0.125 0.000 2.106 298 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 298 E C 2.070 178.724 176.600 0.089 0.000 0.984 298 E CA 1.222 57.613 56.400 -0.015 0.000 0.806 298 E CB -0.172 29.550 29.700 0.037 0.000 0.750 298 E HN 0.431 nan 8.360 nan 0.000 0.458 299 F N 1.728 121.678 119.950 -0.000 0.000 2.134 299 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 299 F C 2.218 178.067 175.800 0.083 0.000 1.097 299 F CA 1.602 59.616 58.000 0.023 0.000 1.264 299 F CB -0.343 38.654 39.000 -0.005 0.000 1.001 299 F HN -0.134 nan 8.300 nan 0.000 0.479 300 T N 2.091 116.685 114.554 0.067 0.000 2.770 300 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 300 T C 2.137 176.806 174.700 -0.053 0.000 1.039 300 T CA 1.757 63.881 62.100 0.040 0.000 1.142 300 T CB -0.699 68.272 68.868 0.172 0.000 0.868 300 T HN 0.534 nan 8.240 nan 0.000 0.435 301 I N 0.494 121.048 120.570 -0.026 0.000 2.567 301 I HA 0.059 4.229 4.170 -0.000 0.000 0.257 301 I C 2.539 178.642 176.117 -0.023 0.000 1.184 301 I CA 1.108 62.402 61.300 -0.010 0.000 1.451 301 I CB -0.552 37.471 38.000 0.038 0.000 1.089 301 I HN 0.109 nan 8.210 nan 0.000 0.441 302 A N 0.587 123.376 122.820 -0.052 0.000 2.066 302 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 302 A C 2.232 179.762 177.584 -0.089 0.000 1.157 302 A CA 1.276 53.279 52.037 -0.057 0.000 0.670 302 A CB -0.312 18.654 19.000 -0.057 0.000 0.804 302 A HN 0.684 nan 8.150 nan 0.000 0.453 303 Q N -1.457 118.263 119.800 -0.134 0.000 2.280 303 Q HA 0.256 4.596 4.340 -0.000 0.000 0.244 303 Q C -0.799 175.146 176.000 -0.090 0.000 0.847 303 Q CA 0.132 55.858 55.803 -0.128 0.000 0.945 303 Q CB 1.304 29.919 28.738 -0.206 0.000 1.115 303 Q HN 0.373 nan 8.270 nan 0.000 0.513 304 V N 2.195 122.059 119.914 -0.084 0.000 2.656 304 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 304 V C -2.507 173.554 176.094 -0.055 0.000 1.051 304 V CA -2.334 59.918 62.300 -0.080 0.000 0.893 304 V CB 1.732 33.492 31.823 -0.105 0.000 0.999 304 V HN -0.028 nan 8.190 nan 0.000 0.426 305 P HA 0.146 nan 4.420 nan 0.000 0.264 305 P C 0.769 178.058 177.300 -0.017 0.000 1.193 305 P CA 0.344 63.421 63.100 -0.038 0.000 0.763 305 P CB 0.686 32.350 31.700 -0.059 0.000 0.810 306 S N 2.781 118.488 115.700 0.012 0.000 2.399 306 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 306 S C 1.584 176.220 174.600 0.061 0.000 1.022 306 S CA 1.073 59.299 58.200 0.044 0.000 0.983 306 S CB -0.294 62.945 63.200 0.065 0.000 0.803 306 S HN 0.430 nan 8.310 nan 0.000 0.480 307 R N 1.272 121.803 120.500 0.052 0.000 2.307 307 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 307 R C 1.398 177.778 176.300 0.134 0.000 1.000 307 R CA 0.477 56.631 56.100 0.091 0.000 1.023 307 R CB -0.171 30.172 30.300 0.071 0.000 0.908 307 R HN 0.431 nan 8.270 nan 0.000 0.473 308 K N 0.131 120.562 120.400 0.050 0.000 2.379 308 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 308 K C 0.466 177.162 176.600 0.160 0.000 1.031 308 K CA 0.265 56.572 56.287 0.034 0.000 1.037 308 K CB 0.453 32.873 32.500 -0.133 0.000 0.824 308 K HN 0.059 nan 8.250 nan 0.000 0.516 309 I N 2.180 122.826 120.570 0.127 0.000 2.312 309 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 309 I C -0.430 175.787 176.117 0.166 0.000 1.031 309 I CA -0.567 60.803 61.300 0.116 0.000 1.293 309 I CB 0.698 38.736 38.000 0.063 0.000 1.403 309 I HN -0.142 nan 8.210 nan 0.000 0.484 310 I N 7.551 128.254 120.570 0.223 0.000 2.406 310 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 310 I C -0.224 176.005 176.117 0.187 0.000 0.999 310 I CA -0.516 60.907 61.300 0.205 0.000 1.124 310 I CB 1.764 39.943 38.000 0.299 0.000 1.289 310 I HN 0.421 nan 8.210 nan 0.000 0.441 311 I N 3.966 124.614 120.570 0.130 0.000 2.312 311 I HA 0.776 4.946 4.170 -0.000 0.000 0.290 311 I C 0.461 176.681 176.117 0.170 0.000 1.008 311 I CA 0.084 61.477 61.300 0.156 0.000 1.226 311 I CB 1.036 39.126 38.000 0.151 0.000 1.371 311 I HN 0.560 nan 8.210 nan 0.000 0.468 312 G N 6.159 115.118 108.800 0.264 0.000 2.432 312 G HA2 0.502 4.462 3.960 -0.000 0.000 0.257 312 G HA3 0.502 4.462 3.960 -0.000 0.000 0.257 312 G C -0.066 175.087 174.900 0.421 0.000 1.238 312 G CA -0.228 45.105 45.100 0.389 0.000 0.838 312 G HN 1.040 nan 8.290 nan 0.000 0.547 313 V N 0.198 120.318 119.914 0.343 0.000 2.966 313 V HA 0.755 4.875 4.120 -0.000 0.000 0.317 313 V C -2.145 174.168 176.094 0.364 0.000 1.070 313 V CA -2.584 59.922 62.300 0.344 0.000 1.008 313 V CB 1.865 33.800 31.823 0.186 0.000 1.070 313 V HN 0.612 nan 8.190 nan 0.000 0.457 314 P HA 0.095 nan 4.420 nan 0.000 0.272 314 P C 0.469 177.698 177.300 -0.118 0.000 1.223 314 P CA -0.180 62.826 63.100 -0.156 0.000 0.784 314 P CB 1.196 32.947 31.700 0.086 0.000 0.923 315 L N 1.496 122.397 121.223 -0.537 0.000 2.168 315 L HA 0.099 4.439 4.340 -0.000 0.000 0.203 315 L C 0.098 176.658 176.870 -0.518 0.000 1.078 315 L CA 1.480 55.906 54.840 -0.689 0.000 0.780 315 L CB -0.276 40.891 42.059 -1.487 0.000 0.939 315 L HN 0.218 nan 8.230 nan 0.000 0.451 316 Y N -0.279 119.825 120.300 -0.326 0.000 2.387 316 Y HA 0.605 5.154 4.550 -0.000 0.000 0.336 316 Y C 0.826 176.499 175.900 -0.379 0.000 1.067 316 Y CA -0.754 57.105 58.100 -0.402 0.000 1.114 316 Y CB 1.323 39.399 38.460 -0.640 0.000 1.208 316 Y HN -0.014 nan 8.280 nan 0.000 0.458 317 G N 1.024 109.746 108.800 -0.130 0.000 2.521 317 G HA2 0.553 4.513 3.960 -0.000 0.000 0.323 317 G HA3 0.553 4.513 3.960 -0.000 0.000 0.323 317 G C -1.933 172.716 174.900 -0.419 0.000 1.211 317 G CA -0.505 44.582 45.100 -0.023 0.000 0.979 317 G HN 0.489 nan 8.290 nan 0.000 0.490 318 Y N -1.107 119.185 120.300 -0.014 0.000 2.545 318 Y HA 0.430 4.980 4.550 0.000 0.000 0.348 318 Y C -0.630 174.994 175.900 -0.460 0.000 1.002 318 Y CA -1.012 56.812 58.100 -0.461 0.000 1.039 318 Y CB 2.771 40.587 38.460 -1.074 0.000 1.271 318 Y HN 0.391 nan 8.280 nan 0.000 0.467 319 D N 1.991 122.221 120.400 -0.284 0.000 2.471 319 D HA 0.178 4.817 4.640 -0.000 0.000 0.245 319 D C -1.465 174.786 176.300 -0.081 0.000 1.116 319 D CA -0.223 53.746 54.000 -0.052 0.000 0.853 319 D CB 0.688 41.536 40.800 0.080 0.000 1.123 319 D HN 0.454 nan 8.370 nan 0.000 0.540 320 W N 4.511 125.872 121.300 0.102 0.000 2.520 320 W HA 0.348 5.008 4.660 0.000 0.000 0.323 320 W C 0.179 176.632 176.519 -0.109 0.000 1.062 320 W CA -0.970 56.394 57.345 0.032 0.000 1.215 320 W CB 1.166 30.645 29.460 0.031 0.000 1.340 320 W HN 0.253 nan 8.180 nan 0.000 0.516 321 I N 2.284 122.860 120.570 0.010 0.000 2.379 321 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 321 I C 0.505 176.596 176.117 -0.042 0.000 1.063 321 I CA -0.303 60.849 61.300 -0.246 0.000 1.351 321 I CB -0.359 37.441 38.000 -0.333 0.000 1.410 321 I HN 0.224 nan 8.210 nan 0.000 0.505 322 I N 3.703 124.232 120.570 -0.068 0.000 3.468 322 I HA 0.555 4.725 4.170 -0.000 0.000 0.276 322 I C -1.797 174.307 176.117 -0.021 0.000 1.182 322 I CA -2.020 59.276 61.300 -0.007 0.000 0.881 322 I CB -0.909 37.085 38.000 -0.010 0.000 1.609 322 I HN 0.329 nan 8.210 nan 0.000 0.780 323 P HA -0.263 nan 4.420 nan 0.000 0.105 323 P C -1.251 176.061 177.300 0.020 0.000 0.856 323 P CA 0.872 63.974 63.100 0.004 0.000 1.007 323 P CB -0.663 31.026 31.700 -0.018 0.000 1.630 324 Y N 3.028 123.287 120.300 -0.068 0.000 2.620 324 Y HA 0.204 4.754 4.550 -0.000 0.000 0.330 324 Y C 0.661 176.534 175.900 -0.046 0.000 1.186 324 Y CA 0.059 58.125 58.100 -0.058 0.000 1.467 324 Y CB 0.592 38.989 38.460 -0.104 0.000 1.262 324 Y HN 0.233 nan 8.280 nan 0.000 0.550 325 Q N 8.681 128.068 119.800 -0.689 0.000 2.357 325 Q HA 0.447 4.787 4.340 -0.000 0.000 0.266 325 Q C -2.732 172.747 176.000 -0.869 0.000 1.021 325 Q CA -2.608 52.823 55.803 -0.620 0.000 0.784 325 Q CB 1.441 30.005 28.738 -0.289 0.000 1.243 325 Q HN 0.448 nan 8.270 nan 0.000 0.465 326 P HA 0.194 nan 4.420 nan 0.000 0.267 326 P C 0.374 177.547 177.300 -0.212 0.000 1.209 326 P CA 0.748 63.583 63.100 -0.441 0.000 0.763 326 P CB 1.010 32.600 31.700 -0.183 0.000 0.816 327 G N 1.842 110.576 108.800 -0.111 0.000 2.617 327 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.197 327 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.197 327 G C 0.345 175.222 174.900 -0.038 0.000 1.017 327 G CA 0.135 45.197 45.100 -0.062 0.000 0.713 327 G HN 0.755 nan 8.290 nan 0.000 0.481 328 T N -0.265 114.256 114.554 -0.055 0.000 2.849 328 T HA 0.685 5.035 4.350 -0.000 0.000 0.284 328 T C 0.379 175.111 174.700 0.052 0.000 1.004 328 T CA 0.123 62.216 62.100 -0.011 0.000 1.021 328 T CB 1.904 70.755 68.868 -0.027 0.000 1.013 328 T HN 1.589 nan 8.240 nan 0.000 0.527 329 V N -1.039 118.898 119.914 0.039 0.000 2.581 329 V HA 0.879 4.999 4.120 -0.000 0.000 0.303 329 V C 0.371 176.468 176.094 0.005 0.000 1.041 329 V CA -1.361 60.960 62.300 0.034 0.000 0.907 329 V CB 0.565 32.392 31.823 0.007 0.000 0.994 329 V HN 1.348 nan 8.190 nan 0.000 0.442 330 A N 3.058 125.837 122.820 -0.069 0.000 2.313 330 A HA 0.646 4.966 4.320 -0.000 0.000 0.261 330 A C 0.606 178.110 177.584 -0.133 0.000 1.090 330 A CA -0.276 51.627 52.037 -0.223 0.000 0.807 330 A CB 0.231 18.759 19.000 -0.788 0.000 1.055 330 A HN 1.068 nan 8.150 nan 0.000 0.492 331 S N 0.825 116.456 115.700 -0.116 0.000 2.448 331 S HA 0.440 4.909 4.470 -0.000 0.000 0.279 331 S C 0.344 174.877 174.600 -0.112 0.000 1.195 331 S CA -0.008 58.148 58.200 -0.073 0.000 1.051 331 S CB 0.700 63.891 63.200 -0.015 0.000 0.948 331 S HN 1.068 nan 8.310 nan 0.000 0.493 332 A N 4.854 127.572 122.820 -0.171 0.000 2.376 332 A HA 0.535 4.855 4.320 -0.000 0.000 0.298 332 A C 0.295 177.692 177.584 -0.310 0.000 1.271 332 A CA -0.594 51.190 52.037 -0.423 0.000 0.926 332 A CB -0.617 17.920 19.000 -0.771 0.000 1.141 332 A HN 0.878 nan 8.150 nan 0.000 0.539 333 I N 0.571 121.007 120.570 -0.224 0.000 2.797 333 I HA 0.732 4.902 4.170 -0.000 0.000 0.307 333 I C 0.401 176.521 176.117 0.005 0.000 1.033 333 I CA -0.764 60.496 61.300 -0.066 0.000 1.071 333 I CB 2.108 40.084 38.000 -0.040 0.000 1.255 333 I HN 0.507 nan 8.210 nan 0.000 0.445 334 S N 2.552 118.272 115.700 0.034 0.000 2.608 334 S HA 0.216 4.685 4.470 -0.000 0.000 0.261 334 S C 0.662 175.293 174.600 0.051 0.000 1.314 334 S CA -0.464 57.757 58.200 0.035 0.000 0.992 334 S CB 0.819 64.029 63.200 0.018 0.000 0.935 334 S HN 0.774 nan 8.310 nan 0.000 0.564 335 N N 0.767 119.529 118.700 0.103 0.000 2.244 335 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 335 N C 1.718 177.290 175.510 0.104 0.000 1.016 335 N CA 1.241 54.413 53.050 0.204 0.000 0.866 335 N CB -0.531 38.135 38.487 0.299 0.000 0.980 335 N HN 0.820 nan 8.380 nan 0.000 0.430 336 Q N 0.919 120.755 119.800 0.061 0.000 2.123 336 Q HA 0.018 4.358 4.340 -0.000 0.000 0.199 336 Q C 1.342 177.323 176.000 -0.031 0.000 0.966 336 Q CA 1.030 56.844 55.803 0.017 0.000 0.845 336 Q CB -0.007 28.743 28.738 0.020 0.000 0.907 336 Q HN 0.445 nan 8.270 nan 0.000 0.439 337 N N -0.145 118.542 118.700 -0.023 0.000 2.205 337 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 337 N C 1.679 177.157 175.510 -0.054 0.000 1.015 337 N CA 0.824 53.854 53.050 -0.033 0.000 0.862 337 N CB -0.111 38.368 38.487 -0.012 0.000 0.986 337 N HN 0.266 nan 8.380 nan 0.000 0.429 338 A N 1.355 124.109 122.820 -0.110 0.000 1.898 338 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 338 A C 2.044 179.457 177.584 -0.285 0.000 1.181 338 A CA 0.834 52.757 52.037 -0.190 0.000 0.620 338 A CB -0.334 18.313 19.000 -0.589 0.000 0.819 338 A HN 0.110 nan 8.150 nan 0.000 0.442 339 I N 0.321 120.691 120.570 -0.333 0.000 2.163 339 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 339 I C 2.333 178.315 176.117 -0.226 0.000 1.085 339 I CA 1.841 62.985 61.300 -0.259 0.000 1.347 339 I CB -1.667 36.271 38.000 -0.103 0.000 1.044 339 I HN 0.469 nan 8.210 nan 0.000 0.408 340 E N 0.163 120.272 120.200 -0.152 0.000 2.110 340 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 340 E C 2.372 178.874 176.600 -0.162 0.000 0.988 340 E CA 0.960 57.278 56.400 -0.135 0.000 0.804 340 E CB -0.140 29.504 29.700 -0.092 0.000 0.745 340 E HN 0.332 nan 8.360 nan 0.000 0.458 341 R N 0.119 120.546 120.500 -0.121 0.000 2.115 341 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 341 R C 2.132 178.322 176.300 -0.183 0.000 1.111 341 R CA 1.086 57.144 56.100 -0.072 0.000 0.976 341 R CB -0.068 30.305 30.300 0.123 0.000 0.870 341 R HN 0.127 nan 8.270 nan 0.000 0.445 342 A N 0.079 122.637 122.820 -0.437 0.000 2.014 342 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 342 A C 1.988 179.343 177.584 -0.382 0.000 1.163 342 A CA 0.880 52.486 52.037 -0.719 0.000 0.652 342 A CB -0.198 18.037 19.000 -1.275 0.000 0.808 342 A HN 0.235 nan 8.150 nan 0.000 0.449 343 M N -1.149 118.276 119.600 -0.291 0.000 2.156 343 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 343 M C 2.269 178.436 176.300 -0.221 0.000 1.067 343 M CA 1.737 56.909 55.300 -0.213 0.000 1.131 343 M CB -0.303 32.194 32.600 -0.173 0.000 1.368 343 M HN 0.431 nan 8.290 nan 0.000 0.416 344 R N 0.818 121.143 120.500 -0.291 0.000 2.091 344 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 344 R C 0.948 176.948 176.300 -0.500 0.000 1.136 344 R CA 1.971 57.812 56.100 -0.432 0.000 0.959 344 R CB -0.596 29.348 30.300 -0.592 0.000 0.856 344 R HN 0.362 nan 8.270 nan 0.000 0.437 345 Y N 0.921 121.058 120.300 -0.272 0.000 2.524 345 Y HA 0.289 4.839 4.550 0.000 0.000 0.266 345 Y C -0.056 175.765 175.900 -0.132 0.000 1.180 345 Y CA -0.101 57.865 58.100 -0.224 0.000 1.244 345 Y CB 0.012 38.231 38.460 -0.401 0.000 1.125 345 Y HN 0.162 nan 8.280 nan 0.000 0.524 346 Q N -0.374 119.395 119.800 -0.052 0.000 2.435 346 Q HA -0.231 4.109 4.340 -0.000 0.000 0.286 346 Q C 0.120 176.105 176.000 -0.025 0.000 1.229 346 Q CA 0.397 56.170 55.803 -0.051 0.000 0.884 346 Q CB -1.389 27.334 28.738 -0.025 0.000 1.245 346 Q HN 0.477 nan 8.270 nan 0.000 0.488 347 A N 1.541 124.328 122.820 -0.055 0.000 2.328 347 A HA 0.569 4.889 4.320 -0.000 0.000 0.284 347 A C -1.843 175.677 177.584 -0.106 0.000 1.160 347 A CA -1.223 50.807 52.037 -0.012 0.000 0.818 347 A CB 0.400 19.468 19.000 0.112 0.000 1.087 347 A HN 0.096 nan 8.150 nan 0.000 0.504 348 P HA 0.248 nan 4.420 nan 0.000 0.276 348 P C -0.672 176.596 177.300 -0.054 0.000 1.230 348 P CA 0.095 63.163 63.100 -0.053 0.000 0.776 348 P CB 0.572 32.256 31.700 -0.026 0.000 0.888 349 I N 3.541 124.079 120.570 -0.054 0.000 2.379 349 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 349 I C 1.231 177.318 176.117 -0.049 0.000 1.063 349 I CA -0.028 61.283 61.300 0.019 0.000 1.351 349 I CB 0.180 38.251 38.000 0.119 0.000 1.410 349 I HN 0.268 nan 8.210 nan 0.000 0.505 350 Q N 6.182 125.834 119.800 -0.248 0.000 2.257 350 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 350 Q C -1.380 174.487 176.000 -0.222 0.000 0.997 350 Q CA -0.904 54.692 55.803 -0.344 0.000 0.873 350 Q CB 2.286 30.642 28.738 -0.635 0.000 1.312 350 Q HN 0.557 nan 8.270 nan 0.000 0.450 351 Y N 0.576 120.836 120.300 -0.067 0.000 2.331 351 Y HA 0.259 4.809 4.550 -0.000 0.000 0.334 351 Y C -0.564 175.502 175.900 0.277 0.000 0.960 351 Y CA -0.619 57.553 58.100 0.119 0.000 1.130 351 Y CB 2.118 40.622 38.460 0.073 0.000 1.164 351 Y HN 0.790 nan 8.280 nan 0.000 0.458 352 S N 4.515 120.306 115.700 0.152 0.000 2.481 352 S HA 0.401 4.871 4.470 -0.000 0.000 0.276 352 S C 0.975 175.581 174.600 0.011 0.000 1.247 352 S CA 0.171 58.487 58.200 0.193 0.000 1.053 352 S CB 0.720 64.135 63.200 0.358 0.000 0.925 352 S HN 0.925 nan 8.310 nan 0.000 0.491 353 A N 4.690 127.579 122.820 0.115 0.000 1.968 353 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 353 A C 1.832 179.428 177.584 0.020 0.000 1.169 353 A CA 1.160 53.279 52.037 0.136 0.000 0.638 353 A CB -0.500 18.578 19.000 0.130 0.000 0.812 353 A HN 0.840 nan 8.150 nan 0.000 0.446 354 E N -1.079 119.050 120.200 -0.119 0.000 2.076 354 E HA -0.080 4.269 4.350 -0.000 0.000 0.190 354 E C 1.242 177.688 176.600 -0.257 0.000 0.979 354 E CA 1.321 57.559 56.400 -0.270 0.000 0.807 354 E CB -0.314 29.070 29.700 -0.527 0.000 0.761 354 E HN 0.836 nan 8.360 nan 0.000 0.454 355 Y N 0.227 120.505 120.300 -0.037 0.000 2.482 355 Y HA 0.100 4.650 4.550 -0.000 0.000 0.270 355 Y C 0.164 176.031 175.900 -0.055 0.000 1.152 355 Y CA -0.398 57.661 58.100 -0.068 0.000 1.292 355 Y CB 0.528 38.927 38.460 -0.102 0.000 1.070 355 Y HN -0.203 nan 8.280 nan 0.000 0.528 356 Q N 1.020 120.840 119.800 0.034 0.000 2.439 356 Q HA -0.182 4.158 4.340 -0.000 0.000 0.325 356 Q C -0.889 175.006 176.000 -0.175 0.000 1.372 356 Q CA 0.902 56.685 55.803 -0.032 0.000 0.909 356 Q CB -1.744 27.107 28.738 0.188 0.000 1.167 356 Q HN 0.315 nan 8.270 nan 0.000 0.418 357 S N 0.732 116.179 115.700 -0.421 0.000 2.614 357 S HA 0.580 5.050 4.470 -0.000 0.000 0.275 357 S C -2.401 172.107 174.600 -0.154 0.000 1.161 357 S CA -0.943 57.195 58.200 -0.102 0.000 0.969 357 S CB 2.831 66.186 63.200 0.258 0.000 1.059 357 S HN 0.056 nan 8.310 nan 0.000 0.482 358 P HA 0.612 nan 4.420 nan 0.000 0.276 358 P C -1.001 176.243 177.300 -0.093 0.000 1.244 358 P CA -0.440 62.585 63.100 -0.126 0.000 0.801 358 P CB 0.383 31.877 31.700 -0.343 0.000 1.006 359 F N -0.168 119.646 119.950 -0.226 0.000 2.741 359 F HA 0.800 5.327 4.527 -0.000 0.000 0.313 359 F C -1.794 174.051 175.800 0.075 0.000 1.153 359 F CA -1.329 56.446 58.000 -0.376 0.000 0.931 359 F CB 1.225 39.257 39.000 -1.613 0.000 1.335 359 F HN 0.378 nan 8.300 nan 0.000 0.460 360 F N -0.872 119.041 119.950 -0.062 0.000 2.713 360 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 360 F C -1.623 174.230 175.800 0.089 0.000 1.141 360 F CA -1.437 56.515 58.000 -0.080 0.000 0.939 360 F CB 1.822 40.828 39.000 0.009 0.000 1.325 360 F HN 0.684 nan 8.300 nan 0.000 0.453 361 R N 0.982 121.648 120.500 0.276 0.000 2.744 361 R HA 0.672 5.012 4.340 -0.000 0.000 0.279 361 R C -1.905 174.587 176.300 0.320 0.000 0.977 361 R CA -1.088 55.117 56.100 0.175 0.000 0.906 361 R CB 2.730 33.095 30.300 0.109 0.000 1.197 361 R HN 0.901 nan 8.270 nan 0.000 0.463 362 Y N -2.394 117.981 120.300 0.125 0.000 2.670 362 Y HA 0.596 5.146 4.550 0.000 0.000 0.334 362 Y C -1.317 174.578 175.900 -0.008 0.000 1.185 362 Y CA -1.145 56.982 58.100 0.045 0.000 1.053 362 Y CB 1.350 39.790 38.460 -0.033 0.000 1.298 362 Y HN 0.328 nan 8.280 nan 0.000 0.459 363 S N 2.099 117.902 115.700 0.172 0.000 2.451 363 S HA 0.351 4.821 4.470 -0.000 0.000 0.301 363 S C -0.843 173.863 174.600 0.177 0.000 1.116 363 S CA -0.772 57.499 58.200 0.117 0.000 1.093 363 S CB 0.754 64.023 63.200 0.115 0.000 1.017 363 S HN 0.727 nan 8.310 nan 0.000 0.482 364 D N 1.835 122.321 120.400 0.143 0.000 2.469 364 D HA 0.125 4.765 4.640 -0.000 0.000 0.278 364 D C 0.881 177.317 176.300 0.228 0.000 1.231 364 D CA -0.417 53.689 54.000 0.176 0.000 1.075 364 D CB 0.189 41.100 40.800 0.186 0.000 1.121 364 D HN 0.479 nan 8.370 nan 0.000 0.571 365 Q N -1.355 118.590 119.800 0.242 0.000 2.230 365 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 365 Q C 1.557 177.629 176.000 0.120 0.000 0.963 365 Q CA 0.932 56.835 55.803 0.166 0.000 0.866 365 Q CB -0.058 28.764 28.738 0.141 0.000 0.931 365 Q HN 0.510 nan 8.270 nan 0.000 0.452 366 Q N -0.768 119.106 119.800 0.124 0.000 2.365 366 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 366 Q C 0.760 176.806 176.000 0.076 0.000 0.929 366 Q CA 0.391 56.248 55.803 0.091 0.000 0.948 366 Q CB 0.690 29.482 28.738 0.089 0.000 1.043 366 Q HN 0.510 nan 8.270 nan 0.000 0.505 367 G N 1.473 110.325 108.800 0.086 0.000 2.179 367 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 367 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 367 G C 0.156 175.086 174.900 0.050 0.000 0.977 367 G CA -0.011 45.129 45.100 0.065 0.000 0.641 367 G HN 0.246 nan 8.290 nan 0.000 0.533 368 R N 1.438 121.972 120.500 0.057 0.000 2.543 368 R HA 0.514 4.854 4.340 -0.000 0.000 0.277 368 R C 0.897 177.199 176.300 0.004 0.000 1.074 368 R CA 0.781 56.884 56.100 0.004 0.000 1.076 368 R CB 0.548 30.829 30.300 -0.031 0.000 0.993 368 R HN 0.365 nan 8.270 nan 0.000 0.459 369 T N -0.074 114.432 114.554 -0.079 0.000 2.837 369 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 369 T C -0.222 174.328 174.700 -0.250 0.000 0.984 369 T CA -0.799 61.238 62.100 -0.105 0.000 1.049 369 T CB 0.844 69.675 68.868 -0.063 0.000 0.947 369 T HN 0.423 nan 8.240 nan 0.000 0.472 370 H N 1.346 120.138 119.070 -0.463 0.000 2.569 370 H HA 0.473 5.029 4.556 -0.000 0.000 0.357 370 H C -0.636 174.491 175.328 -0.334 0.000 1.153 370 H CA -0.660 55.085 56.048 -0.505 0.000 1.193 370 H CB 2.293 31.395 29.762 -1.100 0.000 1.602 370 H HN 0.757 nan 8.280 nan 0.000 0.523 371 E N 2.451 122.649 120.200 -0.003 0.000 2.191 371 E HA 0.365 4.715 4.350 -0.000 0.000 0.263 371 E C -1.500 175.204 176.600 0.173 0.000 0.881 371 E CA -0.734 55.697 56.400 0.051 0.000 0.757 371 E CB 1.515 31.283 29.700 0.114 0.000 1.147 371 E HN 0.236 nan 8.360 nan 0.000 0.414 372 V N 4.856 124.689 119.914 -0.136 0.000 2.409 372 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 372 V C -0.937 175.180 176.094 0.038 0.000 1.020 372 V CA -0.707 61.523 62.300 -0.117 0.000 0.848 372 V CB 0.727 32.093 31.823 -0.761 0.000 0.990 372 V HN 0.647 nan 8.190 nan 0.000 0.430 373 W N 5.777 127.362 121.300 0.476 0.000 2.606 373 W HA 0.803 5.463 4.660 -0.000 0.000 0.332 373 W C -0.244 176.619 176.519 0.573 0.000 1.052 373 W CA -0.419 57.238 57.345 0.520 0.000 1.223 373 W CB 1.811 31.542 29.460 0.452 0.000 1.383 373 W HN 0.634 nan 8.180 nan 0.000 0.524 374 F N -0.334 119.903 119.950 0.478 0.000 3.360 374 F HA 0.748 5.275 4.527 0.000 0.000 0.327 374 F C -1.516 174.486 175.800 0.336 0.000 1.186 374 F CA -1.787 56.418 58.000 0.342 0.000 0.903 374 F CB 1.157 40.313 39.000 0.260 0.000 1.533 374 F HN 0.142 nan 8.300 nan 0.000 0.515 375 E N -0.151 120.145 120.200 0.160 0.000 2.272 375 E HA 0.664 5.014 4.350 -0.000 0.000 0.269 375 E C -0.376 176.287 176.600 0.105 0.000 0.877 375 E CA -0.458 55.977 56.400 0.059 0.000 0.755 375 E CB 2.049 31.863 29.700 0.191 0.000 1.192 375 E HN 1.061 nan 8.360 nan 0.000 0.422 376 G N 0.914 109.738 108.800 0.040 0.000 3.209 376 G HA2 0.234 4.194 3.960 -0.000 0.000 0.236 376 G HA3 0.234 4.194 3.960 -0.000 0.000 0.236 376 G C 0.224 175.213 174.900 0.149 0.000 1.329 376 G CA -0.111 45.087 45.100 0.163 0.000 1.015 376 G HN 0.472 nan 8.290 nan 0.000 0.571 377 V N -0.116 119.875 119.914 0.129 0.000 2.427 377 V HA -0.033 4.087 4.120 -0.000 0.000 0.248 377 V C 2.754 178.896 176.094 0.080 0.000 1.051 377 V CA 2.503 64.859 62.300 0.093 0.000 1.048 377 V CB -0.414 31.450 31.823 0.067 0.000 0.666 377 V HN 0.697 nan 8.190 nan 0.000 0.456 378 R N 0.169 120.708 120.500 0.065 0.000 2.073 378 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 378 R C 2.561 178.959 176.300 0.163 0.000 1.120 378 R CA 1.754 57.868 56.100 0.023 0.000 0.967 378 R CB -0.303 29.870 30.300 -0.211 0.000 0.862 378 R HN 0.742 nan 8.270 nan 0.000 0.436 379 S N -0.135 115.738 115.700 0.289 0.000 2.402 379 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 379 S C 1.916 176.632 174.600 0.193 0.000 1.021 379 S CA 1.029 59.407 58.200 0.297 0.000 0.974 379 S CB -0.191 63.160 63.200 0.251 0.000 0.800 379 S HN 0.239 nan 8.310 nan 0.000 0.484 380 M N 2.140 121.834 119.600 0.156 0.000 2.132 380 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 380 M C 2.266 178.628 176.300 0.104 0.000 1.065 380 M CA 1.311 56.687 55.300 0.125 0.000 1.122 380 M CB -0.568 32.098 32.600 0.110 0.000 1.365 380 M HN 0.302 nan 8.290 nan 0.000 0.411 381 S N -0.370 115.386 115.700 0.094 0.000 2.382 381 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 381 S C 1.889 176.541 174.600 0.088 0.000 1.027 381 S CA 1.389 59.634 58.200 0.075 0.000 0.991 381 S CB -0.383 62.851 63.200 0.056 0.000 0.823 381 S HN 0.385 nan 8.310 nan 0.000 0.469 382 R N 1.656 122.225 120.500 0.117 0.000 2.120 382 R HA 0.043 4.383 4.340 -0.000 0.000 0.234 382 R C 1.906 178.282 176.300 0.127 0.000 1.123 382 R CA 1.490 57.667 56.100 0.129 0.000 0.975 382 R CB -0.213 30.192 30.300 0.174 0.000 0.866 382 R HN 0.289 nan 8.270 nan 0.000 0.446 383 K N -0.856 119.621 120.400 0.129 0.000 2.062 383 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 383 K C 1.898 178.560 176.600 0.104 0.000 1.051 383 K CA 1.562 57.925 56.287 0.127 0.000 0.941 383 K CB -0.188 32.394 32.500 0.136 0.000 0.719 383 K HN 0.086 nan 8.250 nan 0.000 0.440 384 M N 1.467 121.116 119.600 0.082 0.000 2.159 384 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 384 M C 1.915 178.258 176.300 0.073 0.000 1.063 384 M CA 1.653 56.990 55.300 0.062 0.000 1.110 384 M CB -0.125 32.498 32.600 0.040 0.000 1.374 384 M HN 0.078 nan 8.290 nan 0.000 0.411 385 Q N -0.595 119.252 119.800 0.080 0.000 2.084 385 Q HA -0.169 4.170 4.340 -0.000 0.000 0.202 385 Q C 2.233 178.296 176.000 0.105 0.000 0.978 385 Q CA 1.828 57.678 55.803 0.079 0.000 0.844 385 Q CB -0.291 28.492 28.738 0.074 0.000 0.898 385 Q HN 0.631 nan 8.270 nan 0.000 0.426 386 I N -0.198 120.456 120.570 0.140 0.000 2.546 386 I HA -0.206 3.964 4.170 -0.000 0.000 0.255 386 I C 1.920 178.192 176.117 0.258 0.000 1.163 386 I CA 0.381 61.812 61.300 0.220 0.000 1.457 386 I CB 0.198 38.332 38.000 0.223 0.000 1.092 386 I HN -0.003 nan 8.210 nan 0.000 0.434 387 V N 1.183 121.198 119.914 0.168 0.000 2.295 387 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 387 V C 2.482 178.660 176.094 0.140 0.000 1.049 387 V CA 1.948 64.336 62.300 0.146 0.000 1.024 387 V CB -0.677 31.201 31.823 0.092 0.000 0.648 387 V HN 0.408 nan 8.190 nan 0.000 0.447 388 R N -0.416 120.146 120.500 0.103 0.000 2.115 388 R HA -0.142 4.198 4.340 -0.000 0.000 0.226 388 R C 2.338 178.672 176.300 0.057 0.000 1.100 388 R CA 1.319 57.461 56.100 0.071 0.000 0.980 388 R CB -0.248 30.081 30.300 0.049 0.000 0.875 388 R HN 0.616 nan 8.270 nan 0.000 0.445 389 E N 0.266 120.501 120.200 0.059 0.000 2.077 389 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 389 E C 0.586 177.104 176.600 -0.137 0.000 0.989 389 E CA 1.165 57.531 56.400 -0.056 0.000 0.800 389 E CB 0.102 29.744 29.700 -0.096 0.000 0.746 389 E HN 0.395 nan 8.360 nan 0.000 0.452 390 Y N 0.463 120.787 120.300 0.041 0.000 2.493 390 Y HA 0.197 4.747 4.550 -0.000 0.000 0.275 390 Y C -0.097 175.827 175.900 0.040 0.000 1.183 390 Y CA -0.229 57.897 58.100 0.042 0.000 1.258 390 Y CB 0.501 38.992 38.460 0.052 0.000 1.108 390 Y HN -0.053 nan 8.280 nan 0.000 0.521 391 R N -0.264 120.318 120.500 0.137 0.000 3.322 391 R HA -0.221 4.119 4.340 -0.000 0.000 0.253 391 R C -0.654 175.712 176.300 0.110 0.000 0.987 391 R CA 0.414 56.572 56.100 0.097 0.000 0.666 391 R CB -2.944 27.396 30.300 0.066 0.000 1.072 391 R HN 0.455 nan 8.270 nan 0.000 0.447 392 L N -0.354 120.946 121.223 0.127 0.000 2.479 392 L HA 0.130 4.470 4.340 -0.000 0.000 0.249 392 L C 2.120 179.047 176.870 0.095 0.000 1.178 392 L CA -0.533 54.375 54.840 0.113 0.000 0.811 392 L CB 0.320 42.448 42.059 0.116 0.000 1.187 392 L HN 0.010 nan 8.230 nan 0.000 0.480 393 Q N 0.838 120.701 119.800 0.105 0.000 2.046 393 Q HA 0.128 4.468 4.340 -0.000 0.000 0.200 393 Q C -0.119 175.909 176.000 0.046 0.000 0.975 393 Q CA 1.423 57.286 55.803 0.100 0.000 0.836 393 Q CB 0.315 29.152 28.738 0.165 0.000 0.896 393 Q HN 0.724 nan 8.270 nan 0.000 0.428 394 A N -1.305 121.535 122.820 0.034 0.000 2.522 394 A HA 0.465 4.785 4.320 -0.000 0.000 0.291 394 A C -1.534 176.025 177.584 -0.042 0.000 1.039 394 A CA -0.783 51.236 52.037 -0.030 0.000 0.643 394 A CB 0.399 19.345 19.000 -0.090 0.000 1.310 394 A HN 0.095 nan 8.150 nan 0.000 0.436 395 I N 1.286 121.790 120.570 -0.110 0.000 2.385 395 I HA 0.507 4.677 4.170 -0.000 0.000 0.294 395 I C 0.917 176.824 176.117 -0.349 0.000 0.988 395 I CA 0.217 61.429 61.300 -0.146 0.000 1.265 395 I CB 1.090 39.016 38.000 -0.124 0.000 1.388 395 I HN 0.856 nan 8.210 nan 0.000 0.480 396 G N 4.232 112.804 108.800 -0.380 0.000 2.379 396 G HA2 0.716 4.675 3.960 -0.000 0.000 0.327 396 G HA3 0.716 4.675 3.960 -0.000 0.000 0.327 396 G C -0.665 173.635 174.900 -1.000 0.000 1.145 396 G CA -0.216 44.324 45.100 -0.933 0.000 0.905 396 G HN 0.797 nan 8.290 nan 0.000 0.466 397 A N 1.377 123.337 122.820 -1.433 0.000 2.507 397 A HA 0.918 5.238 4.320 -0.000 0.000 0.284 397 A C -1.972 175.106 177.584 -0.842 0.000 1.281 397 A CA -0.949 50.549 52.037 -0.898 0.000 0.744 397 A CB 0.981 19.699 19.000 -0.471 0.000 1.332 397 A HN 0.707 nan 8.150 nan 0.000 0.454 398 W N -0.045 121.273 121.300 0.031 0.000 2.666 398 W HA 0.682 5.342 4.660 -0.000 0.000 0.334 398 W C -0.035 176.559 176.519 0.125 0.000 1.051 398 W CA -0.156 57.254 57.345 0.107 0.000 1.224 398 W CB 1.637 31.097 29.460 0.000 0.000 1.405 398 W HN 0.663 nan 8.180 nan 0.000 0.513 399 Q N 2.312 122.287 119.800 0.292 0.000 2.345 399 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 399 Q C -1.345 174.713 176.000 0.096 0.000 1.054 399 Q CA -1.158 54.688 55.803 0.072 0.000 0.835 399 Q CB 2.716 31.385 28.738 -0.115 0.000 1.339 399 Q HN 0.293 nan 8.270 nan 0.000 0.447 400 L N 2.386 123.630 121.223 0.036 0.000 2.343 400 L HA 0.513 4.853 4.340 -0.000 0.000 0.278 400 L C -1.258 175.618 176.870 0.010 0.000 0.996 400 L CA -0.109 54.747 54.840 0.026 0.000 0.831 400 L CB 1.777 43.841 42.059 0.008 0.000 1.232 400 L HN 0.647 nan 8.230 nan 0.000 0.413 401 T N 6.056 120.622 114.554 0.021 0.000 2.893 401 T HA 0.416 4.766 4.350 -0.000 0.000 0.324 401 T C -0.102 174.612 174.700 0.023 0.000 1.082 401 T CA -0.398 61.711 62.100 0.015 0.000 0.983 401 T CB 0.571 69.449 68.868 0.016 0.000 1.005 401 T HN 0.457 nan 8.240 nan 0.000 0.475 402 L N 1.654 122.888 121.223 0.018 0.000 2.260 402 L HA 0.971 5.311 4.340 -0.000 0.000 0.289 402 L C 0.013 176.900 176.870 0.029 0.000 1.057 402 L CA -0.560 54.295 54.840 0.025 0.000 0.811 402 L CB 0.241 42.313 42.059 0.022 0.000 1.184 402 L HN 0.608 nan 8.230 nan 0.000 0.429 403 A N 0.000 122.844 122.820 0.040 0.000 2.254 403 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 403 A CA 0.000 52.064 52.037 0.045 0.000 0.836 403 A CB 0.000 19.020 19.000 0.034 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486