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 3lv2_1_B DATA FIRST_RESID 6 DATA SEQUENCE GGLTPEQIIA VDGAHLWHPX XXXXXXXXSP VVAVAAHGAW LTLIRDGQPI DATA SEQUENCE EVLDAMSSWW TAIHGHGHPA LDQALTTQLR VMNHVMFGGL THEPAARLAK DATA SEQUENCE LLVDITPAGL DTVFFSDSGS VSVEVAAKMA LQYWRGRGLP GKRRLMTWRG DATA SEQUENCE GYHGDTFLAM SICDPHGGXX XXXXDVLAAQ VFAPQVPRDY DPAYSAAFEA DATA SEQUENCE QLAQHAGELA AVVVEPVVQG AGGMRFHDPR YLHDLRDICR RYEVLLIFDE DATA SEQUENCE IATGFGRTGA LFAADHAGVS PDIMCVGKAL TGGYLSLAAT LCTADVAHTI DATA SEQUENCE SAGAAGALMR GPTFMANPLA CAVSVASVEL LLGQDWRTRI TELAAGLTAG DATA SEQUENCE LDTARALPAV TDVRVCGAIG VIECDRPVDL AVATPAALDR GVWLRPFRNL DATA SEQUENCE VYAMPPYICT PAEITQITSA MVEVARLVGS 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 6 G C 0.000 174.898 174.900 -0.004 0.000 0.946 6 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 7 G N 0.509 109.306 108.800 -0.004 0.000 2.329 7 G HA2 0.084 4.044 3.960 -0.000 0.000 0.234 7 G HA3 0.084 4.044 3.960 -0.000 0.000 0.234 7 G C -0.275 174.622 174.900 -0.005 0.000 2.693 7 G CA -0.772 44.325 45.100 -0.005 0.000 1.036 7 G HN 0.496 nan 8.290 nan 0.000 0.602 8 L N 0.928 122.148 121.223 -0.006 0.000 2.375 8 L HA 0.591 4.931 4.340 -0.000 0.000 0.271 8 L C 1.223 178.088 176.870 -0.008 0.000 1.107 8 L CA -0.452 54.385 54.840 -0.005 0.000 0.806 8 L CB 1.498 43.556 42.059 -0.002 0.000 1.146 8 L HN 0.338 nan 8.230 nan 0.000 0.447 9 T N 2.240 116.790 114.554 -0.007 0.000 2.882 9 T HA 0.183 4.533 4.350 -0.000 0.000 0.287 9 T C -1.627 173.065 174.700 -0.013 0.000 1.014 9 T CA -1.379 60.715 62.100 -0.010 0.000 1.049 9 T CB 1.514 70.377 68.868 -0.008 0.000 1.001 9 T HN 0.389 nan 8.240 nan 0.000 0.525 10 P HA -0.028 nan 4.420 nan 0.000 0.218 10 P C 1.020 178.309 177.300 -0.019 0.000 1.148 10 P CA 1.063 64.149 63.100 -0.023 0.000 0.822 10 P CB 0.200 31.884 31.700 -0.028 0.000 0.784 11 E N -0.493 119.698 120.200 -0.015 0.000 2.106 11 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 11 E C 2.142 178.737 176.600 -0.009 0.000 0.984 11 E CA 0.953 57.345 56.400 -0.013 0.000 0.806 11 E CB -0.356 29.337 29.700 -0.011 0.000 0.750 11 E HN 0.394 nan 8.360 nan 0.000 0.458 12 Q N 0.236 120.033 119.800 -0.005 0.000 2.123 12 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 12 Q C 2.197 178.201 176.000 0.007 0.000 0.966 12 Q CA 0.830 56.634 55.803 0.002 0.000 0.845 12 Q CB 0.020 28.761 28.738 0.004 0.000 0.907 12 Q HN 0.322 nan 8.270 nan 0.000 0.439 13 I N 0.418 120.989 120.570 0.001 0.000 2.163 13 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 13 I C 2.088 178.211 176.117 0.010 0.000 1.085 13 I CA 1.258 62.561 61.300 0.006 0.000 1.347 13 I CB -0.199 37.797 38.000 -0.007 0.000 1.044 13 I HN 0.211 nan 8.210 nan 0.000 0.408 14 I N 0.558 121.125 120.570 -0.004 0.000 2.226 14 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 14 I C 2.755 178.865 176.117 -0.011 0.000 1.100 14 I CA 1.373 62.667 61.300 -0.010 0.000 1.374 14 I CB -0.414 37.573 38.000 -0.022 0.000 1.057 14 I HN 0.184 nan 8.210 nan 0.000 0.413 15 A N 0.138 122.952 122.820 -0.010 0.000 1.902 15 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 15 A C 2.431 180.007 177.584 -0.014 0.000 1.181 15 A CA 1.796 53.823 52.037 -0.017 0.000 0.623 15 A CB -0.940 18.054 19.000 -0.009 0.000 0.818 15 A HN 0.237 nan 8.150 nan 0.000 0.443 16 V N 0.663 120.592 119.914 0.026 0.000 2.307 16 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 16 V C 2.450 178.589 176.094 0.075 0.000 1.045 16 V CA 2.229 64.580 62.300 0.086 0.000 1.024 16 V CB -0.665 31.221 31.823 0.104 0.000 0.651 16 V HN 0.731 nan 8.190 nan 0.000 0.449 17 D N 0.597 121.033 120.400 0.059 0.000 2.104 17 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 17 D C 2.152 178.471 176.300 0.033 0.000 0.994 17 D CA 1.860 55.908 54.000 0.081 0.000 0.830 17 D CB -0.223 40.641 40.800 0.107 0.000 0.959 17 D HN 0.420 nan 8.370 nan 0.000 0.452 18 G N 0.509 109.297 108.800 -0.019 0.000 2.442 18 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 18 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 18 G C 1.707 176.527 174.900 -0.134 0.000 1.141 18 G CA 1.441 46.501 45.100 -0.067 0.000 0.763 18 G HN 0.478 nan 8.290 nan 0.000 0.554 19 A N -0.468 122.223 122.820 -0.216 0.000 1.975 19 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 19 A C 1.837 179.109 177.584 -0.520 0.000 1.170 19 A CA 1.507 53.271 52.037 -0.455 0.000 0.656 19 A CB -0.118 18.458 19.000 -0.706 0.000 0.821 19 A HN 0.515 nan 8.150 nan 0.000 0.449 20 H N -2.471 116.603 119.070 0.006 0.000 3.398 20 H HA 0.470 5.026 4.556 0.000 0.000 0.260 20 H C -0.632 174.727 175.328 0.052 0.000 1.189 20 H CA -0.409 55.655 56.048 0.027 0.000 1.145 20 H CB 0.692 30.473 29.762 0.032 0.000 1.599 20 H HN 0.213 nan 8.280 nan 0.000 0.615 21 L N 1.035 122.331 121.223 0.122 0.000 2.322 21 L HA 0.292 4.632 4.340 -0.000 0.000 0.281 21 L C -1.000 175.941 176.870 0.118 0.000 1.014 21 L CA -0.747 54.165 54.840 0.120 0.000 0.815 21 L CB 1.643 43.747 42.059 0.075 0.000 1.247 21 L HN 0.212 nan 8.230 nan 0.000 0.421 22 W N 3.184 124.488 121.300 0.006 0.000 2.316 22 W HA 0.321 4.982 4.660 0.000 0.000 0.311 22 W C 0.493 176.982 176.519 -0.050 0.000 1.217 22 W CA 0.062 57.426 57.345 0.033 0.000 1.199 22 W CB 0.596 30.071 29.460 0.024 0.000 1.202 22 W HN 0.370 nan 8.180 nan 0.000 0.528 23 H N 2.481 121.723 119.070 0.288 0.000 2.651 23 H HA 0.359 4.915 4.556 0.000 0.000 0.353 23 H C -1.371 174.135 175.328 0.296 0.000 1.178 23 H CA -1.546 54.646 56.048 0.240 0.000 1.224 23 H CB 0.655 30.504 29.762 0.145 0.000 1.702 23 H HN 0.147 nan 8.280 nan 0.000 0.550 35 P HA 0.363 nan 4.420 nan 0.000 0.270 35 P C -0.737 176.497 177.300 -0.110 0.000 1.223 35 P CA -0.449 62.539 63.100 -0.186 0.000 0.785 35 P CB 0.389 31.870 31.700 -0.366 0.000 0.923 36 V N 1.573 121.418 119.914 -0.115 0.000 2.481 36 V HA 0.087 4.207 4.120 -0.000 0.000 0.286 36 V C 0.494 176.480 176.094 -0.179 0.000 1.042 36 V CA -0.787 61.433 62.300 -0.133 0.000 0.928 36 V CB 1.689 33.421 31.823 -0.153 0.000 0.986 36 V HN 0.312 nan 8.190 nan 0.000 0.462 37 V N 4.855 124.690 119.914 -0.131 0.000 2.470 37 V HA 0.402 4.522 4.120 -0.000 0.000 0.276 37 V C 0.726 176.722 176.094 -0.164 0.000 1.040 37 V CA -0.115 62.111 62.300 -0.123 0.000 1.008 37 V CB 0.930 32.706 31.823 -0.078 0.000 0.990 37 V HN 0.987 nan 8.190 nan 0.000 0.477 38 A N 4.730 127.434 122.820 -0.192 0.000 2.301 38 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 38 A C 0.640 178.134 177.584 -0.150 0.000 1.185 38 A CA -0.040 51.869 52.037 -0.213 0.000 0.830 38 A CB 1.341 20.170 19.000 -0.285 0.000 1.112 38 A HN 1.293 nan 8.150 nan 0.000 0.508 39 V N -1.083 118.753 119.914 -0.129 0.000 3.604 39 V HA 0.680 4.800 4.120 -0.000 0.000 0.277 39 V C 0.489 176.529 176.094 -0.090 0.000 1.399 39 V CA 0.771 63.017 62.300 -0.090 0.000 1.034 39 V CB -0.798 30.990 31.823 -0.059 0.000 0.824 39 V HN 1.723 nan 8.190 nan 0.000 0.439 40 A N -0.316 122.429 122.820 -0.125 0.000 2.601 40 A HA 0.975 5.295 4.320 -0.000 0.000 0.291 40 A C -0.947 176.469 177.584 -0.279 0.000 1.075 40 A CA -0.135 51.809 52.037 -0.154 0.000 0.671 40 A CB 1.296 20.305 19.000 0.014 0.000 1.277 40 A HN 1.761 nan 8.150 nan 0.000 0.417 41 A N 1.197 123.709 122.820 -0.513 0.000 2.488 41 A HA 0.791 5.110 4.320 -0.000 0.000 0.295 41 A C -1.501 175.647 177.584 -0.726 0.000 1.045 41 A CA -0.435 51.270 52.037 -0.553 0.000 0.703 41 A CB 1.117 19.627 19.000 -0.816 0.000 1.271 41 A HN 1.046 nan 8.150 nan 0.000 0.400 42 H N 0.912 120.002 119.070 0.033 0.000 3.042 42 H HA 0.536 5.092 4.556 -0.000 0.000 0.345 42 H C 0.743 176.203 175.328 0.220 0.000 1.052 42 H CA 0.209 56.327 56.048 0.117 0.000 1.311 42 H CB 1.578 31.378 29.762 0.063 0.000 1.810 42 H HN 1.879 nan 8.280 nan 0.000 0.505 43 G N 1.854 110.852 108.800 0.331 0.000 2.583 43 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.292 43 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.292 43 G C 0.835 175.933 174.900 0.331 0.000 1.203 43 G CA 0.842 46.132 45.100 0.316 0.000 0.987 43 G HN 0.832 nan 8.290 nan 0.000 0.554 44 A N -0.842 122.167 122.820 0.314 0.000 2.337 44 A HA 0.519 4.839 4.320 -0.000 0.000 0.227 44 A C 0.201 177.744 177.584 -0.067 0.000 1.259 44 A CA 0.676 52.773 52.037 0.100 0.000 0.870 44 A CB -0.202 18.772 19.000 -0.043 0.000 0.927 44 A HN 0.593 nan 8.150 nan 0.000 0.497 45 W N -0.552 120.818 121.300 0.116 0.000 2.632 45 W HA 0.645 5.305 4.660 -0.000 0.000 0.328 45 W C -0.494 176.002 176.519 -0.039 0.000 1.044 45 W CA -0.615 56.762 57.345 0.053 0.000 1.225 45 W CB 1.041 30.534 29.460 0.056 0.000 1.396 45 W HN -0.085 nan 8.180 nan 0.000 0.499 46 L N 2.403 123.700 121.223 0.124 0.000 2.325 46 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 46 L C 0.124 177.004 176.870 0.016 0.000 1.023 46 L CA -0.868 53.934 54.840 -0.063 0.000 0.811 46 L CB 1.563 43.498 42.059 -0.206 0.000 1.249 46 L HN 0.265 nan 8.230 nan 0.000 0.431 47 T N 4.210 118.737 114.554 -0.046 0.000 2.753 47 T HA 0.565 4.915 4.350 -0.000 0.000 0.297 47 T C -0.088 174.560 174.700 -0.087 0.000 0.981 47 T CA -0.318 61.769 62.100 -0.022 0.000 0.956 47 T CB 0.338 69.205 68.868 -0.000 0.000 0.936 47 T HN 0.257 nan 8.240 nan 0.000 0.463 48 L N 3.238 124.416 121.223 -0.077 0.000 2.333 48 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 48 L C -0.239 176.590 176.870 -0.068 0.000 1.010 48 L CA -1.438 53.331 54.840 -0.119 0.000 0.818 48 L CB 1.612 43.574 42.059 -0.161 0.000 1.306 48 L HN 0.355 nan 8.230 nan 0.000 0.430 49 I N 2.522 123.046 120.570 -0.076 0.000 2.304 49 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 49 I C -0.058 176.039 176.117 -0.033 0.000 1.018 49 I CA -0.050 61.222 61.300 -0.047 0.000 1.260 49 I CB 1.014 38.985 38.000 -0.048 0.000 1.390 49 I HN 0.615 nan 8.210 nan 0.000 0.475 50 R N 6.088 126.580 120.500 -0.014 0.000 2.513 50 R HA 0.273 4.613 4.340 -0.000 0.000 0.301 50 R C -0.824 175.476 176.300 -0.000 0.000 0.968 50 R CA -0.408 55.692 56.100 -0.000 0.000 0.872 50 R CB 0.977 31.288 30.300 0.017 0.000 1.177 50 R HN 0.612 nan 8.270 nan 0.000 0.444 51 D N 3.768 124.168 120.400 -0.001 0.000 2.755 51 D HA -0.211 4.429 4.640 -0.000 0.000 0.227 51 D C 0.829 177.125 176.300 -0.006 0.000 1.211 51 D CA 1.743 55.742 54.000 -0.002 0.000 0.663 51 D CB -1.318 39.483 40.800 0.001 0.000 0.983 51 D HN 1.050 nan 8.370 nan 0.000 0.407 52 G N -0.586 108.208 108.800 -0.010 0.000 2.234 52 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 52 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 52 G C 0.149 175.041 174.900 -0.013 0.000 0.987 52 G CA 0.643 45.736 45.100 -0.012 0.000 0.625 52 G HN 0.749 nan 8.290 nan 0.000 0.532 53 Q N 1.353 121.147 119.800 -0.010 0.000 2.282 53 Q HA 0.556 4.896 4.340 -0.000 0.000 0.260 53 Q C -2.663 173.330 176.000 -0.012 0.000 0.964 53 Q CA -2.393 53.404 55.803 -0.010 0.000 0.880 53 Q CB 2.522 31.257 28.738 -0.005 0.000 1.286 53 Q HN 0.233 nan 8.270 nan 0.000 0.445 54 P HA 0.181 nan 4.420 nan 0.000 0.281 54 P C -0.873 176.424 177.300 -0.006 0.000 1.286 54 P CA 0.034 63.125 63.100 -0.015 0.000 0.772 54 P CB 0.206 31.895 31.700 -0.017 0.000 0.862 55 I N -0.664 119.908 120.570 0.004 0.000 2.646 55 I HA 0.571 4.741 4.170 -0.000 0.000 0.299 55 I C -0.414 175.737 176.117 0.056 0.000 1.036 55 I CA -1.360 59.956 61.300 0.027 0.000 1.074 55 I CB 2.669 40.693 38.000 0.041 0.000 1.258 55 I HN 0.076 nan 8.210 nan 0.000 0.430 56 E N 4.373 124.627 120.200 0.090 0.000 2.227 56 E HA 0.552 4.902 4.350 -0.000 0.000 0.282 56 E C -0.790 176.051 176.600 0.403 0.000 1.015 56 E CA -0.796 55.725 56.400 0.202 0.000 0.823 56 E CB 2.219 31.973 29.700 0.089 0.000 1.081 56 E HN 0.598 nan 8.360 nan 0.000 0.396 57 V N 0.247 120.412 119.914 0.418 0.000 3.007 57 V HA 0.413 4.533 4.120 -0.000 0.000 0.311 57 V C -0.737 175.371 176.094 0.024 0.000 1.120 57 V CA -1.359 61.115 62.300 0.291 0.000 0.980 57 V CB 1.484 33.412 31.823 0.175 0.000 1.033 57 V HN 0.405 nan 8.190 nan 0.000 0.429 58 L N 2.592 123.576 121.223 -0.398 0.000 2.455 58 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 58 L C 0.597 177.360 176.870 -0.179 0.000 1.174 58 L CA 0.626 55.094 54.840 -0.620 0.000 0.869 58 L CB 0.038 41.718 42.059 -0.631 0.000 1.130 58 L HN 0.932 nan 8.230 nan 0.000 0.474 59 D N 3.234 123.562 120.400 -0.121 0.000 2.545 59 D HA 0.153 4.793 4.640 -0.000 0.000 0.227 59 D C 1.005 177.325 176.300 0.034 0.000 1.150 59 D CA 0.136 54.174 54.000 0.065 0.000 1.046 59 D CB 0.646 41.529 40.800 0.139 0.000 1.098 59 D HN 0.620 nan 8.370 nan 0.000 0.502 60 A N 3.566 126.390 122.820 0.007 0.000 2.121 60 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 60 A C 1.775 179.358 177.584 -0.002 0.000 1.154 60 A CA 0.751 52.764 52.037 -0.039 0.000 0.679 60 A CB -0.130 18.814 19.000 -0.094 0.000 0.795 60 A HN 0.470 nan 8.150 nan 0.000 0.458 61 M N -1.171 118.462 119.600 0.056 0.000 2.502 61 M HA 0.172 4.652 4.480 -0.000 0.000 0.243 61 M C 0.810 177.281 176.300 0.286 0.000 1.130 61 M CA 0.332 55.729 55.300 0.162 0.000 1.055 61 M CB -0.976 31.705 32.600 0.136 0.000 1.457 61 M HN 0.289 nan 8.290 nan 0.000 0.488 62 S N 1.235 117.043 115.700 0.180 0.000 3.533 62 S HA -0.152 4.318 4.470 -0.000 0.000 0.347 62 S C 0.346 175.040 174.600 0.157 0.000 1.101 62 S CA 0.722 59.004 58.200 0.136 0.000 1.009 62 S CB -1.609 61.659 63.200 0.113 0.000 0.916 62 S HN 0.625 nan 8.310 nan 0.000 0.496 63 S N -0.838 114.968 115.700 0.177 0.000 3.667 63 S HA -0.189 4.280 4.470 -0.000 0.000 0.405 63 S C 0.058 174.755 174.600 0.161 0.000 0.913 63 S CA 0.804 59.068 58.200 0.107 0.000 1.288 63 S CB -1.470 61.807 63.200 0.129 0.000 0.905 63 S HN 0.913 nan 8.310 nan 0.000 0.550 64 W N 0.627 121.936 121.300 0.014 0.000 5.361 64 W HA -0.215 4.445 4.660 -0.000 0.000 0.385 64 W C 0.135 176.469 176.519 -0.308 0.000 1.458 64 W CA 1.351 58.464 57.345 -0.388 0.000 0.922 64 W CB -2.723 26.483 29.460 -0.423 0.000 2.606 64 W HN 1.115 nan 8.180 nan 0.000 1.450 65 W N -1.848 119.608 121.300 0.260 0.000 3.105 65 W HA -0.317 4.344 4.660 0.000 0.000 0.308 65 W C 1.514 178.082 176.519 0.082 0.000 1.182 65 W CA 1.365 58.809 57.345 0.165 0.000 0.612 65 W CB -2.645 26.930 29.460 0.191 0.000 2.238 65 W HN 0.231 nan 8.180 nan 0.000 1.307 66 T N -3.832 110.837 114.554 0.193 0.000 3.018 66 T HA 0.534 4.883 4.350 -0.000 0.000 0.246 66 T C 1.275 175.926 174.700 -0.081 0.000 1.026 66 T CA 0.740 62.876 62.100 0.060 0.000 1.081 66 T CB 0.046 68.947 68.868 0.055 0.000 0.970 66 T HN 0.470 nan 8.240 nan 0.000 0.475 67 A N 2.357 125.095 122.820 -0.136 0.000 3.118 67 A HA 0.559 4.879 4.320 -0.000 0.000 0.256 67 A C 1.541 178.937 177.584 -0.313 0.000 1.667 67 A CA -0.502 51.355 52.037 -0.299 0.000 1.338 67 A CB -1.410 17.258 19.000 -0.553 0.000 1.127 67 A HN 0.770 nan 8.150 nan 0.000 0.634 68 I N -3.106 117.199 120.570 -0.442 0.000 2.493 68 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 68 I C 1.217 176.912 176.117 -0.704 0.000 1.160 68 I CA 1.200 61.997 61.300 -0.838 0.000 1.445 68 I CB -0.332 36.910 38.000 -1.264 0.000 1.086 68 I HN 0.426 nan 8.210 nan 0.000 0.433 69 H N 1.721 120.664 119.070 -0.212 0.000 2.542 69 H HA 0.452 5.008 4.556 -0.000 0.000 0.283 69 H C 1.157 176.534 175.328 0.082 0.000 1.059 69 H CA 0.296 56.319 56.048 -0.042 0.000 1.162 69 H CB -0.076 29.613 29.762 -0.123 0.000 1.539 69 H HN 0.518 nan 8.280 nan 0.000 0.543 70 G N 0.938 109.761 108.800 0.038 0.000 2.829 70 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.628 70 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.628 70 G C -0.634 174.248 174.900 -0.030 0.000 1.412 70 G CA -0.785 44.332 45.100 0.028 0.000 0.864 70 G HN 0.498 nan 8.290 nan 0.000 0.544 71 H N 0.185 119.286 119.070 0.051 0.000 2.562 71 H HA 0.426 4.982 4.556 -0.000 0.000 0.352 71 H C 1.503 176.858 175.328 0.045 0.000 1.125 71 H CA 0.906 56.919 56.048 -0.058 0.000 1.379 71 H CB 1.038 30.716 29.762 -0.139 0.000 1.464 71 H HN 2.111 nan 8.280 nan 0.000 0.563 72 G N 1.946 110.822 108.800 0.126 0.000 2.305 72 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.287 72 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.287 72 G C 0.063 175.144 174.900 0.301 0.000 1.036 72 G CA 0.689 45.932 45.100 0.239 0.000 0.887 72 G HN 0.935 nan 8.290 nan 0.000 0.505 73 H N 0.752 120.000 119.070 0.298 0.000 2.929 73 H HA 0.300 4.856 4.556 -0.000 0.000 0.317 73 H C -0.131 175.283 175.328 0.144 0.000 1.031 73 H CA -0.439 55.730 56.048 0.202 0.000 1.466 73 H CB 1.101 30.971 29.762 0.180 0.000 1.482 73 H HN 0.105 nan 8.280 nan 0.000 0.561 74 P HA -0.254 nan 4.420 nan 0.000 0.216 74 P C 0.931 178.312 177.300 0.136 0.000 1.150 74 P CA 1.890 65.020 63.100 0.051 0.000 0.843 74 P CB 0.081 31.754 31.700 -0.045 0.000 0.787 75 A N -0.176 122.825 122.820 0.301 0.000 1.929 75 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 75 A C 2.395 179.991 177.584 0.021 0.000 1.176 75 A CA 1.150 53.279 52.037 0.153 0.000 0.628 75 A CB -1.268 17.808 19.000 0.127 0.000 0.816 75 A HN 0.120 nan 8.150 nan 0.000 0.444 76 L N -0.965 120.262 121.223 0.006 0.000 2.162 76 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 76 L C 1.879 178.575 176.870 -0.290 0.000 1.086 76 L CA 1.105 55.782 54.840 -0.271 0.000 0.778 76 L CB -0.948 40.807 42.059 -0.506 0.000 0.928 76 L HN 0.215 nan 8.230 nan 0.000 0.446 77 D N 0.322 120.706 120.400 -0.027 0.000 2.123 77 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 77 D C 2.173 178.479 176.300 0.010 0.000 0.992 77 D CA 1.275 55.320 54.000 0.075 0.000 0.833 77 D CB -0.014 40.883 40.800 0.162 0.000 0.954 77 D HN 0.193 nan 8.370 nan 0.000 0.455 78 Q N 0.542 120.346 119.800 0.007 0.000 2.119 78 Q HA -0.018 4.322 4.340 -0.000 0.000 0.201 78 Q C 1.866 177.848 176.000 -0.029 0.000 0.972 78 Q CA 1.829 57.632 55.803 -0.001 0.000 0.847 78 Q CB -0.409 28.335 28.738 0.010 0.000 0.903 78 Q HN 0.182 nan 8.270 nan 0.000 0.433 79 A N 0.285 123.067 122.820 -0.065 0.000 1.902 79 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 79 A C 2.131 179.668 177.584 -0.079 0.000 1.181 79 A CA 1.408 53.397 52.037 -0.080 0.000 0.623 79 A CB -0.778 18.149 19.000 -0.121 0.000 0.818 79 A HN 0.473 nan 8.150 nan 0.000 0.443 80 L N -0.835 120.331 121.223 -0.094 0.000 2.027 80 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 80 L C 3.071 179.925 176.870 -0.026 0.000 1.074 80 L CA 1.993 56.795 54.840 -0.062 0.000 0.745 80 L CB -0.611 41.422 42.059 -0.045 0.000 0.898 80 L HN 0.611 nan 8.230 nan 0.000 0.433 81 T N -2.162 112.386 114.554 -0.011 0.000 2.788 81 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 81 T C 1.773 176.469 174.700 -0.006 0.000 1.044 81 T CA 2.088 64.188 62.100 0.000 0.000 1.139 81 T CB -0.225 68.650 68.868 0.012 0.000 0.867 81 T HN 0.288 nan 8.240 nan 0.000 0.454 82 T N 1.376 115.922 114.554 -0.013 0.000 2.684 82 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 82 T C 2.015 176.704 174.700 -0.017 0.000 1.036 82 T CA 1.809 63.901 62.100 -0.013 0.000 1.148 82 T CB -0.473 68.385 68.868 -0.016 0.000 0.863 82 T HN 0.430 nan 8.240 nan 0.000 0.436 83 Q N 0.530 120.313 119.800 -0.027 0.000 2.119 83 Q HA 0.036 4.376 4.340 -0.000 0.000 0.201 83 Q C 2.060 178.044 176.000 -0.028 0.000 0.972 83 Q CA 1.040 56.823 55.803 -0.034 0.000 0.847 83 Q CB -0.665 28.043 28.738 -0.051 0.000 0.903 83 Q HN 0.422 nan 8.270 nan 0.000 0.433 84 L N 0.043 121.254 121.223 -0.019 0.000 2.131 84 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 84 L C 2.140 179.007 176.870 -0.005 0.000 1.092 84 L CA 1.655 56.489 54.840 -0.009 0.000 0.759 84 L CB -0.230 41.827 42.059 -0.003 0.000 0.903 84 L HN 0.096 nan 8.230 nan 0.000 0.435 85 R N -1.961 118.536 120.500 -0.006 0.000 2.189 85 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 85 R C 1.818 178.116 176.300 -0.004 0.000 1.074 85 R CA 1.134 57.233 56.100 -0.003 0.000 0.991 85 R CB 0.033 30.332 30.300 -0.002 0.000 0.883 85 R HN 0.302 nan 8.270 nan 0.000 0.457 86 V N -0.994 118.915 119.914 -0.010 0.000 2.690 86 V HA 0.262 4.382 4.120 -0.000 0.000 0.240 86 V C 0.588 176.672 176.094 -0.016 0.000 1.078 86 V CA 0.795 63.088 62.300 -0.011 0.000 1.102 86 V CB 0.238 32.053 31.823 -0.013 0.000 0.800 86 V HN 0.281 nan 8.190 nan 0.000 0.479 87 M N 1.000 120.584 119.600 -0.026 0.000 2.355 87 M HA 0.230 4.710 4.480 -0.000 0.000 0.232 87 M C -0.130 176.149 176.300 -0.036 0.000 0.988 87 M CA -0.378 54.901 55.300 -0.034 0.000 0.931 87 M CB 1.339 33.906 32.600 -0.056 0.000 2.294 87 M HN 0.253 nan 8.290 nan 0.000 0.459 88 N N 2.554 121.257 118.700 0.004 0.000 2.171 88 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 88 N C 0.007 175.576 175.510 0.098 0.000 1.021 88 N CA 1.457 54.530 53.050 0.038 0.000 0.854 88 N CB -0.068 38.455 38.487 0.060 0.000 0.994 88 N HN 0.844 nan 8.380 nan 0.000 0.426 89 H N -1.407 117.645 119.070 -0.029 0.000 3.139 89 H HA 0.468 5.023 4.556 -0.001 0.000 0.325 89 H C -1.666 173.660 175.328 -0.002 0.000 1.146 89 H CA -0.691 55.349 56.048 -0.013 0.000 1.351 89 H CB 1.071 30.893 29.762 0.101 0.000 2.005 89 H HN 0.095 nan 8.280 nan 0.000 0.517 90 V N 2.538 122.066 119.914 -0.644 0.000 3.102 90 V HA 0.588 4.708 4.120 -0.000 0.000 0.312 90 V C 0.342 176.098 176.094 -0.564 0.000 1.135 90 V CA -1.090 60.950 62.300 -0.434 0.000 1.022 90 V CB 1.858 33.603 31.823 -0.129 0.000 1.056 90 V HN 0.965 nan 8.190 nan 0.000 0.436 91 M N 1.029 120.500 119.600 -0.214 0.000 2.238 91 M HA 0.459 4.939 4.480 -0.000 0.000 0.347 91 M C -0.135 176.216 176.300 0.084 0.000 1.173 91 M CA 0.161 55.429 55.300 -0.054 0.000 1.147 91 M CB 0.381 32.971 32.600 -0.016 0.000 1.547 91 M HN 0.647 nan 8.290 nan 0.000 0.455 92 F N 1.605 121.522 119.950 -0.056 0.000 2.765 92 F HA 0.400 4.927 4.527 -0.000 0.000 0.302 92 F C 1.074 176.846 175.800 -0.047 0.000 1.111 92 F CA -0.705 57.267 58.000 -0.047 0.000 1.359 92 F CB 0.091 39.069 39.000 -0.037 0.000 1.097 92 F HN 0.793 nan 8.300 nan 0.000 0.577 93 G N -0.252 108.550 108.800 0.003 0.000 2.530 93 G HA2 0.420 4.380 3.960 -0.000 0.000 0.313 93 G HA3 0.420 4.380 3.960 -0.000 0.000 0.313 93 G C 1.011 175.856 174.900 -0.091 0.000 0.971 93 G CA 0.171 45.239 45.100 -0.053 0.000 1.237 93 G HN 0.665 nan 8.290 nan 0.000 0.446 94 G N 1.174 109.879 108.800 -0.157 0.000 2.175 94 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 94 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 94 G C 0.203 175.016 174.900 -0.144 0.000 0.982 94 G CA 0.293 45.314 45.100 -0.132 0.000 0.641 94 G HN 0.765 nan 8.290 nan 0.000 0.527 95 L N -0.087 121.025 121.223 -0.184 0.000 2.354 95 L HA 0.878 5.218 4.340 -0.000 0.000 0.264 95 L C 0.221 176.938 176.870 -0.256 0.000 1.008 95 L CA -0.712 54.046 54.840 -0.136 0.000 0.819 95 L CB 2.396 44.438 42.059 -0.029 0.000 1.339 95 L HN 0.168 nan 8.230 nan 0.000 0.420 96 T N -0.421 114.047 114.554 -0.143 0.000 2.864 96 T HA 0.671 5.021 4.350 -0.000 0.000 0.289 96 T C -1.499 173.240 174.700 0.064 0.000 1.082 96 T CA -0.384 61.639 62.100 -0.127 0.000 1.009 96 T CB 1.337 70.095 68.868 -0.183 0.000 1.234 96 T HN 0.870 nan 8.240 nan 0.000 0.526 97 H N -0.531 118.642 119.070 0.172 0.000 2.981 97 H HA 0.412 4.967 4.556 -0.001 0.000 0.327 97 H C 0.506 175.883 175.328 0.083 0.000 1.342 97 H CA -0.583 55.523 56.048 0.096 0.000 1.123 97 H CB 1.110 30.915 29.762 0.070 0.000 1.851 97 H HN 0.668 nan 8.280 nan 0.000 0.531 98 E N 0.400 120.754 120.200 0.257 0.000 2.047 98 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 98 E C -0.950 175.748 176.600 0.163 0.000 0.987 98 E CA 0.829 57.321 56.400 0.154 0.000 0.799 98 E CB -0.817 28.940 29.700 0.095 0.000 0.752 98 E HN 0.416 nan 8.360 nan 0.000 0.449 99 P HA -0.144 nan 4.420 nan 0.000 0.216 99 P C 0.974 178.344 177.300 0.117 0.000 1.150 99 P CA 2.013 65.189 63.100 0.126 0.000 0.837 99 P CB -0.090 31.638 31.700 0.047 0.000 0.786 100 A N 0.017 122.944 122.820 0.178 0.000 1.877 100 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 100 A C 2.344 180.013 177.584 0.142 0.000 1.186 100 A CA 2.214 54.241 52.037 -0.016 0.000 0.620 100 A CB -1.608 17.193 19.000 -0.332 0.000 0.822 100 A HN 0.199 nan 8.150 nan 0.000 0.443 101 A N -0.259 122.628 122.820 0.112 0.000 1.877 101 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 101 A C 2.245 179.897 177.584 0.113 0.000 1.186 101 A CA 1.534 53.639 52.037 0.113 0.000 0.620 101 A CB -0.509 18.540 19.000 0.082 0.000 0.822 101 A HN 0.536 nan 8.150 nan 0.000 0.443 102 R N -0.806 119.754 120.500 0.100 0.000 2.091 102 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 102 R C 2.191 178.558 176.300 0.112 0.000 1.136 102 R CA 1.507 57.660 56.100 0.088 0.000 0.959 102 R CB -0.514 29.826 30.300 0.067 0.000 0.856 102 R HN 0.530 nan 8.270 nan 0.000 0.437 103 L N 0.086 121.393 121.223 0.140 0.000 2.027 103 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 103 L C 2.419 179.457 176.870 0.280 0.000 1.074 103 L CA 1.318 56.281 54.840 0.205 0.000 0.745 103 L CB -0.479 41.697 42.059 0.197 0.000 0.898 103 L HN 0.246 nan 8.230 nan 0.000 0.433 104 A N 0.144 123.148 122.820 0.305 0.000 1.933 104 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 104 A C 2.205 179.849 177.584 0.099 0.000 1.175 104 A CA 2.099 54.238 52.037 0.171 0.000 0.628 104 A CB -0.412 18.671 19.000 0.139 0.000 0.814 104 A HN 0.366 nan 8.150 nan 0.000 0.444 105 K N 0.145 120.608 120.400 0.104 0.000 2.001 105 K HA 0.007 4.327 4.320 -0.000 0.000 0.208 105 K C 1.769 178.418 176.600 0.082 0.000 1.048 105 K CA 1.497 57.830 56.287 0.076 0.000 0.932 105 K CB -0.658 31.885 32.500 0.072 0.000 0.715 105 K HN 0.415 nan 8.250 nan 0.000 0.437 106 L N 0.400 121.687 121.223 0.107 0.000 2.013 106 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 106 L C 2.435 179.385 176.870 0.132 0.000 1.073 106 L CA 1.436 56.349 54.840 0.122 0.000 0.753 106 L CB -0.435 41.709 42.059 0.141 0.000 0.890 106 L HN 0.236 nan 8.230 nan 0.000 0.432 107 L N -1.291 120.015 121.223 0.139 0.000 2.056 107 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 107 L C 2.506 179.384 176.870 0.014 0.000 1.078 107 L CA 0.811 55.717 54.840 0.110 0.000 0.749 107 L CB -0.481 41.644 42.059 0.109 0.000 0.901 107 L HN 0.063 nan 8.230 nan 0.000 0.433 108 V N -0.138 119.780 119.914 0.006 0.000 2.392 108 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 108 V C 2.026 178.117 176.094 -0.006 0.000 1.059 108 V CA 1.853 64.139 62.300 -0.023 0.000 1.051 108 V CB -0.499 31.315 31.823 -0.015 0.000 0.658 108 V HN 0.443 nan 8.190 nan 0.000 0.455 109 D N 0.069 120.488 120.400 0.031 0.000 2.149 109 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 109 D C 1.924 178.261 176.300 0.062 0.000 0.972 109 D CA 1.590 55.617 54.000 0.046 0.000 0.835 109 D CB -0.057 40.781 40.800 0.063 0.000 0.966 109 D HN 0.647 nan 8.370 nan 0.000 0.476 110 I N -1.134 119.489 120.570 0.088 0.000 3.783 110 I HA 0.103 4.273 4.170 -0.000 0.000 0.310 110 I C 0.497 176.702 176.117 0.147 0.000 1.274 110 I CA 0.036 61.429 61.300 0.155 0.000 1.294 110 I CB -0.056 38.082 38.000 0.230 0.000 1.051 110 I HN -0.226 nan 8.210 nan 0.000 0.435 111 T N -0.238 114.271 114.554 -0.075 0.000 2.874 111 T HA 0.479 4.829 4.350 -0.000 0.000 0.281 111 T C -2.410 172.199 174.700 -0.151 0.000 0.994 111 T CA -1.691 60.202 62.100 -0.346 0.000 1.015 111 T CB 0.495 69.060 68.868 -0.504 0.000 1.028 111 T HN -0.075 nan 8.240 nan 0.000 0.523 112 P HA 0.214 nan 4.420 nan 0.000 0.264 112 P C -0.300 176.963 177.300 -0.062 0.000 1.173 112 P CA 0.013 63.082 63.100 -0.053 0.000 0.761 112 P CB -0.002 31.678 31.700 -0.033 0.000 0.794 113 A N 2.963 125.766 122.820 -0.029 0.000 2.540 113 A HA 0.419 4.739 4.320 -0.000 0.000 0.239 113 A C 1.561 179.112 177.584 -0.054 0.000 1.061 113 A CA 0.877 52.895 52.037 -0.031 0.000 0.758 113 A CB -1.083 17.911 19.000 -0.010 0.000 0.991 113 A HN 0.875 nan 8.150 nan 0.000 0.502 114 G N 0.858 109.621 108.800 -0.060 0.000 2.238 114 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.217 114 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.217 114 G C 0.113 174.950 174.900 -0.104 0.000 0.996 114 G CA 0.039 45.092 45.100 -0.078 0.000 0.632 114 G HN 0.867 nan 8.290 nan 0.000 0.503 115 L N 2.695 123.851 121.223 -0.112 0.000 2.363 115 L HA 0.412 4.752 4.340 -0.000 0.000 0.286 115 L C 0.816 177.621 176.870 -0.108 0.000 1.106 115 L CA 0.262 55.024 54.840 -0.130 0.000 0.859 115 L CB 0.727 42.692 42.059 -0.156 0.000 1.223 115 L HN 0.408 nan 8.230 nan 0.000 0.446 116 D N -0.186 120.151 120.400 -0.105 0.000 2.500 116 D HA 0.047 4.687 4.640 -0.000 0.000 0.217 116 D C 0.083 176.341 176.300 -0.071 0.000 1.159 116 D CA -0.088 53.865 54.000 -0.077 0.000 0.828 116 D CB 0.666 41.428 40.800 -0.064 0.000 1.039 116 D HN 0.248 nan 8.370 nan 0.000 0.512 117 T N 0.446 114.947 114.554 -0.088 0.000 2.824 117 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 117 T C -0.586 174.060 174.700 -0.089 0.000 0.993 117 T CA -0.555 61.504 62.100 -0.069 0.000 0.967 117 T CB 2.624 71.457 68.868 -0.058 0.000 0.960 117 T HN -0.134 nan 8.240 nan 0.000 0.441 118 V N 3.632 123.480 119.914 -0.110 0.000 2.444 118 V HA 0.548 4.668 4.120 -0.000 0.000 0.294 118 V C -1.104 174.861 176.094 -0.216 0.000 1.022 118 V CA -0.901 61.255 62.300 -0.239 0.000 0.850 118 V CB 1.399 32.972 31.823 -0.417 0.000 0.992 118 V HN 0.861 nan 8.190 nan 0.000 0.426 119 F N 5.645 125.414 119.950 -0.301 0.000 2.403 119 F HA 0.653 5.180 4.527 -0.001 0.000 0.355 119 F C -0.409 175.277 175.800 -0.190 0.000 1.119 119 F CA -1.168 56.730 58.000 -0.170 0.000 1.007 119 F CB 0.759 39.724 39.000 -0.060 0.000 1.194 119 F HN 0.372 nan 8.300 nan 0.000 0.443 120 F N 3.903 123.771 119.950 -0.136 0.000 2.429 120 F HA 0.453 4.979 4.527 -0.001 0.000 0.348 120 F C 0.784 176.611 175.800 0.044 0.000 1.109 120 F CA 0.204 58.171 58.000 -0.055 0.000 1.232 120 F CB 1.156 40.040 39.000 -0.193 0.000 1.157 120 F HN 0.550 nan 8.300 nan 0.000 0.564 121 S N 0.094 116.006 115.700 0.354 0.000 2.794 121 S HA 0.382 4.852 4.470 -0.000 0.000 0.299 121 S C -0.415 174.303 174.600 0.197 0.000 1.179 121 S CA -0.914 57.452 58.200 0.278 0.000 0.838 121 S CB 1.836 65.213 63.200 0.296 0.000 1.206 121 S HN 0.520 nan 8.310 nan 0.000 0.523 122 D N 0.909 121.403 120.400 0.157 0.000 2.360 122 D HA 0.242 4.882 4.640 -0.000 0.000 0.210 122 D C 0.491 176.841 176.300 0.084 0.000 1.047 122 D CA 0.754 54.817 54.000 0.104 0.000 0.854 122 D CB 0.593 41.448 40.800 0.091 0.000 0.936 122 D HN 0.647 nan 8.370 nan 0.000 0.514 123 S N -1.945 113.814 115.700 0.099 0.000 2.565 123 S HA 0.490 4.960 4.470 -0.000 0.000 0.269 123 S C 1.074 175.727 174.600 0.088 0.000 1.153 123 S CA -0.367 57.880 58.200 0.079 0.000 0.835 123 S CB 1.543 64.775 63.200 0.053 0.000 1.122 123 S HN -0.065 nan 8.310 nan 0.000 0.462 124 G N 1.264 110.112 108.800 0.079 0.000 2.440 124 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 124 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 124 G C 1.488 176.420 174.900 0.054 0.000 1.154 124 G CA 1.175 46.325 45.100 0.084 0.000 0.767 124 G HN 0.852 nan 8.290 nan 0.000 0.552 125 S N -0.552 115.164 115.700 0.026 0.000 2.383 125 S HA -0.081 4.388 4.470 -0.000 0.000 0.227 125 S C 2.518 177.128 174.600 0.017 0.000 1.026 125 S CA 1.318 59.516 58.200 -0.003 0.000 0.981 125 S CB -0.208 62.982 63.200 -0.016 0.000 0.818 125 S HN 0.136 nan 8.310 nan 0.000 0.472 126 V N 2.140 122.080 119.914 0.043 0.000 2.427 126 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 126 V C 2.708 178.834 176.094 0.053 0.000 1.051 126 V CA 1.896 64.229 62.300 0.055 0.000 1.048 126 V CB -1.021 30.854 31.823 0.086 0.000 0.666 126 V HN 0.755 nan 8.190 nan 0.000 0.456 127 S N -0.283 115.462 115.700 0.074 0.000 2.419 127 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 127 S C 1.892 176.503 174.600 0.017 0.000 1.016 127 S CA 1.599 59.842 58.200 0.072 0.000 0.974 127 S CB -0.373 62.891 63.200 0.107 0.000 0.786 127 S HN 0.320 nan 8.310 nan 0.000 0.492 128 V N 2.217 122.138 119.914 0.011 0.000 2.379 128 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 128 V C 2.800 178.863 176.094 -0.053 0.000 1.044 128 V CA 1.825 64.112 62.300 -0.022 0.000 1.036 128 V CB -0.637 31.178 31.823 -0.013 0.000 0.664 128 V HN 0.549 nan 8.190 nan 0.000 0.453 129 E N 0.016 120.194 120.200 -0.037 0.000 2.110 129 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 129 E C 2.300 178.854 176.600 -0.078 0.000 0.988 129 E CA 1.373 57.746 56.400 -0.044 0.000 0.804 129 E CB -0.252 29.441 29.700 -0.012 0.000 0.745 129 E HN 0.463 nan 8.360 nan 0.000 0.458 130 V N 1.716 121.571 119.914 -0.099 0.000 2.407 130 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 130 V C 2.436 178.418 176.094 -0.187 0.000 1.055 130 V CA 1.832 64.010 62.300 -0.203 0.000 1.049 130 V CB -0.740 30.917 31.823 -0.278 0.000 0.662 130 V HN 0.281 nan 8.190 nan 0.000 0.455 131 A N -0.033 122.710 122.820 -0.128 0.000 1.902 131 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 131 A C 2.425 179.939 177.584 -0.118 0.000 1.181 131 A CA 2.039 54.003 52.037 -0.123 0.000 0.623 131 A CB -0.749 18.192 19.000 -0.098 0.000 0.818 131 A HN 0.570 nan 8.150 nan 0.000 0.443 132 A N -0.308 122.450 122.820 -0.103 0.000 1.933 132 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 132 A C 2.114 179.659 177.584 -0.066 0.000 1.175 132 A CA 1.729 53.716 52.037 -0.084 0.000 0.628 132 A CB -0.379 18.572 19.000 -0.081 0.000 0.814 132 A HN 0.535 nan 8.150 nan 0.000 0.444 133 K N -0.899 119.450 120.400 -0.084 0.000 2.097 133 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 133 K C 2.081 178.634 176.600 -0.079 0.000 1.050 133 K CA 1.496 57.736 56.287 -0.078 0.000 0.938 133 K CB -0.290 32.145 32.500 -0.109 0.000 0.718 133 K HN 0.515 nan 8.250 nan 0.000 0.442 134 M N 0.437 119.967 119.600 -0.116 0.000 2.080 134 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 134 M C 2.474 178.732 176.300 -0.069 0.000 1.068 134 M CA 1.817 57.054 55.300 -0.105 0.000 1.109 134 M CB -0.447 32.067 32.600 -0.143 0.000 1.342 134 M HN 0.194 nan 8.290 nan 0.000 0.405 135 A N 0.156 122.931 122.820 -0.075 0.000 1.902 135 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 135 A C 2.013 179.658 177.584 0.102 0.000 1.181 135 A CA 1.439 53.454 52.037 -0.036 0.000 0.623 135 A CB -0.677 18.316 19.000 -0.011 0.000 0.818 135 A HN 0.336 nan 8.150 nan 0.000 0.443 136 L N -0.284 120.989 121.223 0.084 0.000 2.027 136 L HA -0.168 4.171 4.340 -0.000 0.000 0.206 136 L C 2.690 179.623 176.870 0.105 0.000 1.074 136 L CA 1.717 56.630 54.840 0.122 0.000 0.745 136 L CB -0.707 41.388 42.059 0.061 0.000 0.898 136 L HN 0.367 nan 8.230 nan 0.000 0.433 137 Q N -1.719 118.107 119.800 0.042 0.000 2.224 137 Q HA -0.234 4.106 4.340 -0.000 0.000 0.203 137 Q C 2.159 178.159 176.000 -0.001 0.000 0.970 137 Q CA 1.367 57.179 55.803 0.016 0.000 0.865 137 Q CB -0.585 28.146 28.738 -0.011 0.000 0.922 137 Q HN 0.558 nan 8.270 nan 0.000 0.445 138 Y N -0.143 120.062 120.300 -0.159 0.000 2.070 138 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 138 Y C 1.825 177.553 175.900 -0.287 0.000 1.148 138 Y CA 1.799 59.713 58.100 -0.310 0.000 1.125 138 Y CB -0.563 37.574 38.460 -0.539 0.000 0.975 138 Y HN 0.052 nan 8.280 nan 0.000 0.492 139 W N 0.448 121.797 121.300 0.082 0.000 2.402 139 W HA -0.074 4.586 4.660 -0.000 0.000 0.286 139 W C 2.531 179.002 176.519 -0.079 0.000 1.221 139 W CA 0.986 58.322 57.345 -0.015 0.000 1.257 139 W CB -0.235 29.272 29.460 0.078 0.000 1.120 139 W HN -0.095 nan 8.180 nan 0.000 0.551 140 R N -0.118 120.462 120.500 0.133 0.000 2.091 140 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 140 R C 2.457 178.746 176.300 -0.019 0.000 1.136 140 R CA 1.455 57.586 56.100 0.052 0.000 0.959 140 R CB -1.141 29.179 30.300 0.034 0.000 0.856 140 R HN 0.277 nan 8.270 nan 0.000 0.437 141 G N 0.293 109.033 108.800 -0.100 0.000 2.598 141 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 141 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 141 G C 1.372 176.160 174.900 -0.187 0.000 1.131 141 G CA 0.025 45.034 45.100 -0.152 0.000 0.785 141 G HN 0.101 nan 8.290 nan 0.000 0.539 142 R N -0.001 120.384 120.500 -0.193 0.000 2.334 142 R HA 0.145 4.485 4.340 -0.000 0.000 0.216 142 R C 1.593 177.898 176.300 0.008 0.000 0.905 142 R CA 0.462 56.492 56.100 -0.116 0.000 1.064 142 R CB -0.096 30.169 30.300 -0.057 0.000 1.046 142 R HN 0.347 nan 8.270 nan 0.000 0.508 143 G N 1.427 110.232 108.800 0.008 0.000 2.176 143 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 143 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 143 G C 0.072 175.001 174.900 0.049 0.000 1.024 143 G CA 0.062 45.175 45.100 0.023 0.000 0.755 143 G HN 0.311 nan 8.290 nan 0.000 0.507 144 L N 0.301 121.582 121.223 0.097 0.000 2.732 144 L HA 0.288 4.628 4.340 -0.000 0.000 0.246 144 L C -1.119 175.802 176.870 0.086 0.000 1.407 144 L CA -1.611 53.279 54.840 0.083 0.000 0.861 144 L CB 1.473 43.588 42.059 0.093 0.000 1.161 144 L HN -0.025 nan 8.230 nan 0.000 0.510 145 P HA -0.052 nan 4.420 nan 0.000 0.237 145 P C 1.341 178.657 177.300 0.026 0.000 1.178 145 P CA 0.621 63.754 63.100 0.054 0.000 0.766 145 P CB 0.354 32.074 31.700 0.033 0.000 0.876 146 G N 0.166 108.964 108.800 -0.003 0.000 2.744 146 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.211 146 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.211 146 G C 0.670 175.536 174.900 -0.057 0.000 1.143 146 G CA -0.070 45.014 45.100 -0.027 0.000 0.788 146 G HN 0.265 nan 8.290 nan 0.000 0.534 147 K N 0.725 121.081 120.400 -0.073 0.000 2.206 147 K HA 0.420 4.740 4.320 -0.000 0.000 0.268 147 K C 0.642 177.229 176.600 -0.023 0.000 1.111 147 K CA -0.179 56.014 56.287 -0.157 0.000 0.955 147 K CB 0.831 33.042 32.500 -0.482 0.000 1.406 147 K HN 0.062 nan 8.250 nan 0.000 0.427 148 R N 0.732 121.214 120.500 -0.031 0.000 2.612 148 R HA 0.136 4.475 4.340 -0.000 0.000 0.260 148 R C 0.212 176.494 176.300 -0.030 0.000 0.943 148 R CA -0.239 55.861 56.100 0.000 0.000 1.036 148 R CB 0.848 31.146 30.300 -0.004 0.000 1.520 148 R HN 0.265 nan 8.270 nan 0.000 0.563 149 R N 0.945 121.406 120.500 -0.065 0.000 2.549 149 R HA 0.436 4.776 4.340 -0.000 0.000 0.267 149 R C -0.389 175.836 176.300 -0.125 0.000 1.045 149 R CA -0.441 55.597 56.100 -0.102 0.000 1.115 149 R CB 1.075 31.298 30.300 -0.129 0.000 1.121 149 R HN -0.081 nan 8.270 nan 0.000 0.543 150 L N 1.568 122.686 121.223 -0.174 0.000 2.334 150 L HA 0.580 4.920 4.340 -0.000 0.000 0.272 150 L C -0.120 176.577 176.870 -0.289 0.000 1.020 150 L CA -0.737 53.979 54.840 -0.208 0.000 0.812 150 L CB 1.709 43.630 42.059 -0.229 0.000 1.264 150 L HN 0.431 nan 8.230 nan 0.000 0.439 151 M N 1.418 120.854 119.600 -0.272 0.000 2.465 151 M HA 0.558 5.038 4.480 -0.000 0.000 0.316 151 M C -0.791 175.337 176.300 -0.287 0.000 1.121 151 M CA 0.064 55.171 55.300 -0.322 0.000 0.934 151 M CB 2.274 34.722 32.600 -0.254 0.000 1.692 151 M HN 0.675 nan 8.290 nan 0.000 0.444 152 T N 2.376 116.727 114.554 -0.339 0.000 2.647 152 T HA 0.785 5.135 4.350 -0.000 0.000 0.295 152 T C -2.196 172.555 174.700 0.084 0.000 1.126 152 T CA -0.473 61.510 62.100 -0.194 0.000 1.040 152 T CB 0.870 69.634 68.868 -0.174 0.000 1.472 152 T HN 0.742 nan 8.240 nan 0.000 0.500 153 W N 1.023 122.479 121.300 0.261 0.000 2.719 153 W HA 0.848 5.508 4.660 0.000 0.000 0.352 153 W C -0.241 176.473 176.519 0.325 0.000 1.085 153 W CA -1.657 55.880 57.345 0.319 0.000 1.187 153 W CB -0.353 29.314 29.460 0.345 0.000 1.417 153 W HN 0.679 nan 8.180 nan 0.000 0.557 154 R N 0.476 121.317 120.500 0.569 0.000 2.827 154 R HA 0.406 4.746 4.340 -0.000 0.000 0.269 154 R C 1.214 177.673 176.300 0.265 0.000 1.048 154 R CA 1.218 57.536 56.100 0.364 0.000 1.173 154 R CB -0.067 30.352 30.300 0.198 0.000 1.070 154 R HN 1.118 nan 8.270 nan 0.000 0.498 155 G N -0.133 108.786 108.800 0.198 0.000 2.157 155 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 155 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 155 G C 0.368 175.391 174.900 0.205 0.000 0.979 155 G CA -0.164 45.023 45.100 0.146 0.000 0.650 155 G HN 0.889 nan 8.290 nan 0.000 0.529 156 G N -1.050 107.928 108.800 0.297 0.000 2.528 156 G HA2 0.649 4.609 3.960 -0.000 0.000 0.289 156 G HA3 0.649 4.609 3.960 -0.000 0.000 0.289 156 G C -0.966 174.033 174.900 0.166 0.000 1.192 156 G CA -0.470 44.779 45.100 0.249 0.000 0.921 156 G HN 1.048 nan 8.290 nan 0.000 0.512 157 Y N -0.475 119.689 120.300 -0.227 0.000 2.433 157 Y HA 0.480 5.030 4.550 0.000 0.000 0.337 157 Y C -0.039 175.566 175.900 -0.491 0.000 1.026 157 Y CA -0.944 57.029 58.100 -0.211 0.000 1.037 157 Y CB 1.758 40.169 38.460 -0.082 0.000 1.245 157 Y HN 0.596 nan 8.280 nan 0.000 0.443 158 H N 3.671 122.347 119.070 -0.658 0.000 3.230 158 H HA 0.463 5.019 4.556 -0.000 0.000 0.259 158 H C 0.470 175.430 175.328 -0.612 0.000 1.195 158 H CA 0.322 56.097 56.048 -0.454 0.000 1.112 158 H CB 1.148 30.793 29.762 -0.194 0.000 1.638 158 H HN 0.912 nan 8.280 nan 0.000 0.624 159 G N 0.816 108.906 108.800 -1.184 0.000 2.423 159 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.684 159 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.684 159 G C -0.635 174.094 174.900 -0.285 0.000 1.309 159 G CA -0.356 44.401 45.100 -0.572 0.000 0.950 159 G HN 0.084 nan 8.290 nan 0.000 0.587 160 D N 0.039 120.409 120.400 -0.050 0.000 2.379 160 D HA 0.168 4.808 4.640 -0.000 0.000 0.208 160 D C 1.878 178.198 176.300 0.034 0.000 1.065 160 D CA 1.228 55.249 54.000 0.035 0.000 0.848 160 D CB 0.312 41.149 40.800 0.061 0.000 0.949 160 D HN 0.822 nan 8.370 nan 0.000 0.509 161 T N -1.861 112.706 114.554 0.022 0.000 2.856 161 T HA 0.027 4.377 4.350 -0.000 0.000 0.306 161 T C 1.260 176.021 174.700 0.102 0.000 1.062 161 T CA -0.667 61.473 62.100 0.067 0.000 1.083 161 T CB 0.883 69.785 68.868 0.056 0.000 0.984 161 T HN -0.105 nan 8.240 nan 0.000 0.542 162 F N 1.330 121.272 119.950 -0.014 0.000 2.095 162 F HA -0.061 4.466 4.527 0.001 0.000 0.298 162 F C 1.979 177.773 175.800 -0.010 0.000 1.104 162 F CA 1.367 59.363 58.000 -0.008 0.000 1.232 162 F CB -0.299 38.697 39.000 -0.007 0.000 0.987 162 F HN 0.462 nan 8.300 nan 0.000 0.475 163 L N 0.497 121.725 121.223 0.009 0.000 2.044 163 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 163 L C 2.472 179.272 176.870 -0.118 0.000 1.075 163 L CA 2.125 56.903 54.840 -0.104 0.000 0.747 163 L CB -1.849 40.203 42.059 -0.012 0.000 0.903 163 L HN 0.260 nan 8.230 nan 0.000 0.435 164 A N -0.074 122.706 122.820 -0.067 0.000 1.917 164 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 164 A C 2.259 179.802 177.584 -0.068 0.000 1.182 164 A CA 2.221 54.215 52.037 -0.073 0.000 0.633 164 A CB -0.549 18.408 19.000 -0.072 0.000 0.819 164 A HN 0.540 nan 8.150 nan 0.000 0.448 165 M N 0.462 120.021 119.600 -0.070 0.000 2.358 165 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 165 M C 2.310 178.587 176.300 -0.038 0.000 1.064 165 M CA 1.521 56.797 55.300 -0.041 0.000 1.093 165 M CB -0.377 32.208 32.600 -0.025 0.000 1.401 165 M HN 0.685 nan 8.290 nan 0.000 0.440 166 S N 1.007 116.638 115.700 -0.115 0.000 2.469 166 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 166 S C 1.377 176.007 174.600 0.050 0.000 0.998 166 S CA 0.894 59.039 58.200 -0.092 0.000 0.957 166 S CB -0.757 62.318 63.200 -0.208 0.000 0.764 166 S HN 0.726 nan 8.310 nan 0.000 0.514 167 I N -1.090 119.510 120.570 0.050 0.000 4.154 167 I HA 0.441 4.611 4.170 -0.000 0.000 0.334 167 I C 0.862 177.204 176.117 0.376 0.000 1.371 167 I CA -0.986 60.368 61.300 0.089 0.000 1.110 167 I CB -0.357 37.543 38.000 -0.167 0.000 1.085 167 I HN 0.296 nan 8.210 nan 0.000 0.398 168 C N 2.028 121.507 119.300 0.298 0.000 2.656 168 C HA 0.213 4.673 4.460 -0.000 0.000 0.391 168 C C 0.863 176.009 174.990 0.260 0.000 1.300 168 C CA -0.162 59.017 59.018 0.268 0.000 2.302 168 C CB 0.297 28.135 27.740 0.163 0.000 2.655 168 C HN 0.592 nan 8.230 nan 0.000 0.656 169 D N 3.855 124.377 120.400 0.203 0.000 2.531 169 D HA 0.111 4.751 4.640 -0.000 0.000 0.239 169 D C -1.433 174.772 176.300 -0.158 0.000 1.144 169 D CA -0.432 53.599 54.000 0.052 0.000 0.869 169 D CB 0.870 41.719 40.800 0.082 0.000 1.160 169 D HN 0.465 nan 8.370 nan 0.000 0.484 170 P HA -0.102 nan 4.420 nan 0.000 0.219 170 P C -0.542 176.322 177.300 -0.727 0.000 1.146 170 P CA 1.066 63.698 63.100 -0.779 0.000 0.808 170 P CB 0.192 31.112 31.700 -1.301 0.000 0.779 171 H N -1.718 117.290 119.070 -0.102 0.000 2.708 171 H HA 0.523 5.079 4.556 0.000 0.000 0.320 171 H C 1.216 176.539 175.328 -0.009 0.000 0.991 171 H CA 0.178 56.196 56.048 -0.051 0.000 1.243 171 H CB 1.541 31.266 29.762 -0.061 0.000 1.446 171 H HN 0.119 nan 8.280 nan 0.000 0.502 172 G N 2.628 111.489 108.800 0.102 0.000 3.131 172 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.198 172 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.198 172 G C 0.741 175.687 174.900 0.076 0.000 1.435 172 G CA -0.243 44.909 45.100 0.086 0.000 1.016 172 G HN 0.889 nan 8.290 nan 0.000 0.499 181 V N 0.759 120.719 119.914 0.078 0.000 2.350 181 V HA 0.713 4.833 4.120 -0.000 0.000 0.285 181 V C 0.029 176.150 176.094 0.045 0.000 1.014 181 V CA -0.779 61.571 62.300 0.083 0.000 0.831 181 V CB 0.779 32.642 31.823 0.066 0.000 1.000 181 V HN 0.885 nan 8.190 nan 0.000 0.433 182 L N 2.787 124.018 121.223 0.013 0.000 2.346 182 L HA 0.782 5.122 4.340 -0.000 0.000 0.260 182 L C -0.437 176.308 176.870 -0.208 0.000 1.382 182 L CA -0.212 54.640 54.840 0.019 0.000 0.807 182 L CB 0.560 42.711 42.059 0.153 0.000 0.957 182 L HN 1.218 nan 8.230 nan 0.000 0.524 183 A N 0.626 123.381 122.820 -0.108 0.000 2.373 183 A HA 0.348 4.668 4.320 -0.000 0.000 0.436 183 A C 0.169 177.696 177.584 -0.096 0.000 0.942 183 A CA 0.224 52.175 52.037 -0.143 0.000 0.563 183 A CB -1.486 17.324 19.000 -0.315 0.000 2.406 183 A HN 2.153 nan 8.150 nan 0.000 0.385 184 A N 3.952 126.744 122.820 -0.047 0.000 2.391 184 A HA 0.615 4.935 4.320 -0.000 0.000 0.316 184 A C 0.537 178.094 177.584 -0.045 0.000 1.381 184 A CA -0.255 51.775 52.037 -0.013 0.000 0.998 184 A CB 0.186 19.187 19.000 0.001 0.000 1.147 184 A HN 0.771 nan 8.150 nan 0.000 0.545 185 Q N 0.764 120.537 119.800 -0.045 0.000 2.166 185 Q HA 0.488 4.828 4.340 -0.000 0.000 0.226 185 Q C -0.279 175.559 176.000 -0.270 0.000 0.989 185 Q CA -0.697 54.975 55.803 -0.219 0.000 0.966 185 Q CB 1.225 29.737 28.738 -0.377 0.000 1.173 185 Q HN 0.418 nan 8.270 nan 0.000 0.509 186 V N 1.294 120.946 119.914 -0.436 0.000 2.465 186 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 186 V C -0.617 175.183 176.094 -0.491 0.000 1.045 186 V CA -0.207 61.843 62.300 -0.418 0.000 0.938 186 V CB 0.097 31.603 31.823 -0.528 0.000 0.986 186 V HN 0.462 nan 8.190 nan 0.000 0.467 187 F N 2.813 122.673 119.950 -0.150 0.000 2.477 187 F HA 0.721 5.248 4.527 -0.000 0.000 0.335 187 F C 0.530 176.293 175.800 -0.063 0.000 1.130 187 F CA -0.432 57.530 58.000 -0.063 0.000 0.948 187 F CB 1.678 40.670 39.000 -0.013 0.000 1.154 187 F HN 0.588 nan 8.300 nan 0.000 0.439 188 A N 4.827 127.720 122.820 0.122 0.000 2.271 188 A HA 0.762 5.082 4.320 -0.000 0.000 0.288 188 A C -2.520 175.240 177.584 0.293 0.000 1.094 188 A CA -1.698 50.397 52.037 0.097 0.000 0.828 188 A CB 0.177 19.183 19.000 0.009 0.000 1.091 188 A HN 0.441 nan 8.150 nan 0.000 0.493 189 P HA 0.136 nan 4.420 nan 0.000 0.271 189 P C -0.530 176.962 177.300 0.320 0.000 1.244 189 P CA -0.229 63.027 63.100 0.259 0.000 0.793 189 P CB 0.283 32.117 31.700 0.223 0.000 0.984 190 Q N 1.129 121.016 119.800 0.145 0.000 2.269 190 Q HA 0.048 4.388 4.340 -0.000 0.000 0.300 190 Q C -0.657 175.182 176.000 -0.268 0.000 1.070 190 Q CA 0.412 56.196 55.803 -0.032 0.000 0.957 190 Q CB -0.414 28.291 28.738 -0.056 0.000 1.131 190 Q HN 0.194 nan 8.270 nan 0.000 0.377 191 V N 7.963 127.457 119.914 -0.699 0.000 2.529 191 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 191 V C -2.111 173.442 176.094 -0.901 0.000 1.028 191 V CA -1.543 59.938 62.300 -1.365 0.000 1.074 191 V CB 0.584 31.078 31.823 -2.215 0.000 0.958 191 V HN 0.921 nan 8.190 nan 0.000 0.481 192 P HA 0.265 nan 4.420 nan 0.000 0.274 192 P C 0.391 177.613 177.300 -0.130 0.000 1.246 192 P CA -0.366 62.535 63.100 -0.332 0.000 0.795 192 P CB 0.576 32.167 31.700 -0.182 0.000 1.006 193 R N 0.510 120.992 120.500 -0.030 0.000 2.062 193 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 193 R C -0.056 176.331 176.300 0.144 0.000 1.136 193 R CA 1.371 57.505 56.100 0.056 0.000 0.948 193 R CB -0.261 30.045 30.300 0.010 0.000 0.845 193 R HN 0.527 nan 8.270 nan 0.000 0.430 194 D N -0.334 120.136 120.400 0.117 0.000 2.283 194 D HA -0.017 4.623 4.640 -0.000 0.000 0.248 194 D C -0.885 175.533 176.300 0.197 0.000 1.072 194 D CA -0.195 53.883 54.000 0.129 0.000 0.929 194 D CB 0.603 41.447 40.800 0.072 0.000 1.182 194 D HN 0.091 nan 8.370 nan 0.000 0.433 195 Y N 1.462 121.735 120.300 -0.044 0.000 2.436 195 Y HA 0.176 4.726 4.550 -0.000 0.000 0.336 195 Y C -0.421 175.447 175.900 -0.052 0.000 1.049 195 Y CA -0.135 57.821 58.100 -0.240 0.000 1.294 195 Y CB 0.434 38.695 38.460 -0.332 0.000 1.179 195 Y HN 0.099 nan 8.280 nan 0.000 0.520 196 D N 9.095 129.212 120.400 -0.472 0.000 2.473 196 D HA 0.297 4.937 4.640 -0.000 0.000 0.253 196 D C -2.179 173.861 176.300 -0.433 0.000 1.233 196 D CA -2.496 51.306 54.000 -0.329 0.000 0.908 196 D CB 2.001 42.795 40.800 -0.009 0.000 1.170 196 D HN 0.292 nan 8.370 nan 0.000 0.558 197 P HA -0.089 nan 4.420 nan 0.000 0.223 197 P C 1.030 178.322 177.300 -0.014 0.000 1.144 197 P CA 0.582 63.509 63.100 -0.289 0.000 0.783 197 P CB 0.268 31.899 31.700 -0.115 0.000 0.771 198 A N -0.824 121.999 122.820 0.005 0.000 1.969 198 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 198 A C 2.285 179.933 177.584 0.107 0.000 1.169 198 A CA 1.068 53.139 52.037 0.056 0.000 0.635 198 A CB -1.741 17.285 19.000 0.044 0.000 0.810 198 A HN 0.143 nan 8.150 nan 0.000 0.445 199 Y N 1.271 121.617 120.300 0.077 0.000 2.128 199 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 199 Y C 2.714 178.743 175.900 0.215 0.000 1.154 199 Y CA 2.107 60.287 58.100 0.133 0.000 1.149 199 Y CB -0.317 38.221 38.460 0.130 0.000 0.976 199 Y HN 0.304 nan 8.280 nan 0.000 0.505 200 S N 0.245 116.157 115.700 0.352 0.000 2.382 200 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 200 S C 2.215 176.924 174.600 0.182 0.000 1.027 200 S CA 0.950 59.341 58.200 0.317 0.000 0.991 200 S CB -0.737 62.696 63.200 0.388 0.000 0.823 200 S HN 0.644 nan 8.310 nan 0.000 0.469 201 A N 1.448 124.342 122.820 0.124 0.000 1.930 201 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 201 A C 2.317 179.925 177.584 0.041 0.000 1.175 201 A CA 1.606 53.696 52.037 0.088 0.000 0.627 201 A CB -0.927 18.114 19.000 0.069 0.000 0.815 201 A HN 0.511 nan 8.150 nan 0.000 0.443 202 A N -1.549 121.263 122.820 -0.013 0.000 1.968 202 A HA 0.051 4.370 4.320 -0.000 0.000 0.217 202 A C 2.013 179.539 177.584 -0.096 0.000 1.169 202 A CA 1.248 53.243 52.037 -0.069 0.000 0.638 202 A CB -0.645 18.291 19.000 -0.105 0.000 0.812 202 A HN 0.582 nan 8.150 nan 0.000 0.446 203 F N 0.754 120.551 119.950 -0.256 0.000 2.095 203 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 203 F C 2.318 178.042 175.800 -0.126 0.000 1.104 203 F CA 2.231 60.110 58.000 -0.202 0.000 1.232 203 F CB -0.086 38.813 39.000 -0.168 0.000 0.987 203 F HN 0.436 nan 8.300 nan 0.000 0.475 204 E N 0.274 120.602 120.200 0.212 0.000 2.058 204 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 204 E C 2.237 178.757 176.600 -0.133 0.000 0.997 204 E CA 1.237 57.666 56.400 0.048 0.000 0.801 204 E CB -0.377 29.390 29.700 0.111 0.000 0.746 204 E HN 0.456 nan 8.360 nan 0.000 0.450 205 A N 0.919 123.693 122.820 -0.077 0.000 1.908 205 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 205 A C 2.189 179.680 177.584 -0.154 0.000 1.181 205 A CA 1.930 53.907 52.037 -0.100 0.000 0.627 205 A CB -0.770 18.196 19.000 -0.056 0.000 0.818 205 A HN 0.497 nan 8.150 nan 0.000 0.445 206 Q N -0.914 118.780 119.800 -0.177 0.000 2.079 206 Q HA -0.148 4.191 4.340 -0.000 0.000 0.200 206 Q C 2.040 177.949 176.000 -0.151 0.000 0.974 206 Q CA 1.503 57.207 55.803 -0.165 0.000 0.840 206 Q CB -0.216 28.384 28.738 -0.229 0.000 0.898 206 Q HN 0.551 nan 8.270 nan 0.000 0.430 207 L N 0.745 121.800 121.223 -0.280 0.000 2.046 207 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 207 L C 2.161 178.845 176.870 -0.310 0.000 1.077 207 L CA 2.385 57.062 54.840 -0.272 0.000 0.747 207 L CB -1.684 40.215 42.059 -0.266 0.000 0.896 207 L HN 0.297 nan 8.230 nan 0.000 0.432 208 A N -0.356 122.188 122.820 -0.460 0.000 1.908 208 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 208 A C 2.093 179.548 177.584 -0.216 0.000 1.181 208 A CA 1.710 53.483 52.037 -0.439 0.000 0.627 208 A CB -0.550 18.239 19.000 -0.351 0.000 0.818 208 A HN 0.699 nan 8.150 nan 0.000 0.445 209 Q N -1.556 118.098 119.800 -0.243 0.000 2.291 209 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 209 Q C 0.823 176.534 176.000 -0.482 0.000 0.976 209 Q CA 1.616 57.208 55.803 -0.353 0.000 0.875 209 Q CB -0.158 28.302 28.738 -0.462 0.000 0.927 209 Q HN 0.944 nan 8.270 nan 0.000 0.450 210 H N -1.849 117.132 119.070 -0.147 0.000 2.784 210 H HA 0.326 4.882 4.556 -0.000 0.000 0.273 210 H C 1.411 176.653 175.328 -0.143 0.000 1.112 210 H CA 0.254 56.220 56.048 -0.137 0.000 1.162 210 H CB 0.604 30.274 29.762 -0.153 0.000 1.586 210 H HN 0.214 nan 8.280 nan 0.000 0.548 211 A N 0.659 123.443 122.820 -0.061 0.000 1.917 211 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 211 A C 2.534 180.047 177.584 -0.117 0.000 1.182 211 A CA 1.813 53.807 52.037 -0.073 0.000 0.633 211 A CB -1.084 17.919 19.000 0.005 0.000 0.819 211 A HN 0.513 nan 8.150 nan 0.000 0.448 212 G N -1.218 107.522 108.800 -0.100 0.000 2.598 212 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 212 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 212 G C 1.240 176.060 174.900 -0.134 0.000 1.131 212 G CA 0.797 45.820 45.100 -0.129 0.000 0.785 212 G HN 0.680 nan 8.290 nan 0.000 0.539 213 E N -0.843 119.298 120.200 -0.098 0.000 2.460 213 E HA 0.226 4.576 4.350 -0.000 0.000 0.200 213 E C 0.163 176.692 176.600 -0.117 0.000 1.011 213 E CA -0.282 56.069 56.400 -0.081 0.000 0.912 213 E CB 0.420 30.108 29.700 -0.020 0.000 0.953 213 E HN 0.275 nan 8.360 nan 0.000 0.494 214 L N 0.860 121.989 121.223 -0.157 0.000 2.264 214 L HA 0.295 4.635 4.340 -0.000 0.000 0.289 214 L C 0.960 177.702 176.870 -0.213 0.000 1.044 214 L CA -0.451 54.296 54.840 -0.155 0.000 0.807 214 L CB 1.449 43.432 42.059 -0.128 0.000 1.192 214 L HN 0.041 nan 8.230 nan 0.000 0.425 215 A N 3.562 126.334 122.820 -0.081 0.000 1.898 215 A HA 0.497 4.817 4.320 -0.000 0.000 0.214 215 A C 0.864 178.600 177.584 0.253 0.000 1.183 215 A CA 1.172 53.297 52.037 0.146 0.000 0.622 215 A CB 0.063 19.210 19.000 0.244 0.000 0.824 215 A HN 0.726 nan 8.150 nan 0.000 0.444 216 A N -1.805 121.051 122.820 0.060 0.000 2.604 216 A HA 0.564 4.884 4.320 -0.000 0.000 0.295 216 A C -1.177 176.371 177.584 -0.060 0.000 1.067 216 A CA -0.381 51.665 52.037 0.015 0.000 0.683 216 A CB 0.874 19.859 19.000 -0.024 0.000 1.281 216 A HN 0.410 nan 8.150 nan 0.000 0.407 217 V N 1.445 121.324 119.914 -0.059 0.000 2.439 217 V HA 0.525 4.645 4.120 -0.000 0.000 0.282 217 V C -0.358 175.655 176.094 -0.135 0.000 1.039 217 V CA -0.323 61.927 62.300 -0.084 0.000 0.913 217 V CB 1.392 33.204 31.823 -0.018 0.000 0.983 217 V HN 0.684 nan 8.190 nan 0.000 0.460 218 V N 6.094 125.894 119.914 -0.190 0.000 2.444 218 V HA 0.741 4.861 4.120 -0.000 0.000 0.294 218 V C -0.299 175.680 176.094 -0.191 0.000 1.022 218 V CA -0.518 61.658 62.300 -0.205 0.000 0.850 218 V CB 1.715 33.329 31.823 -0.348 0.000 0.992 218 V HN 0.767 nan 8.190 nan 0.000 0.426 219 V N 1.306 121.208 119.914 -0.020 0.000 3.114 219 V HA 0.676 4.796 4.120 -0.000 0.000 0.308 219 V C -0.712 175.566 176.094 0.308 0.000 1.168 219 V CA -1.047 61.281 62.300 0.046 0.000 1.015 219 V CB 2.231 33.766 31.823 -0.479 0.000 1.050 219 V HN 0.791 nan 8.190 nan 0.000 0.433 220 E N 3.650 124.087 120.200 0.396 0.000 2.223 220 E HA 0.404 4.754 4.350 -0.000 0.000 0.282 220 E C -2.560 174.213 176.600 0.288 0.000 1.046 220 E CA -1.682 54.900 56.400 0.302 0.000 0.857 220 E CB 1.209 31.075 29.700 0.278 0.000 1.055 220 E HN 0.659 nan 8.360 nan 0.000 0.409 221 P HA 0.013 nan 4.420 nan 0.000 0.286 221 P C 0.607 177.887 177.300 -0.032 0.000 1.269 221 P CA -0.099 62.935 63.100 -0.110 0.000 0.787 221 P CB 1.444 32.744 31.700 -0.668 0.000 0.920 222 V N 1.304 121.124 119.914 -0.156 0.000 0.481 222 V HA -0.274 3.846 4.120 -0.000 0.000 0.092 222 V C 0.777 176.523 176.094 -0.581 0.000 2.400 222 V CA 2.168 64.115 62.300 -0.589 0.000 3.646 222 V CB -1.963 29.727 31.823 -0.222 0.000 0.927 222 V HN 0.472 nan 8.190 nan 0.000 0.973 223 V N 1.458 121.263 119.914 -0.181 0.000 2.444 223 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 223 V C -0.117 176.048 176.094 0.117 0.000 1.022 223 V CA -0.342 61.965 62.300 0.011 0.000 0.850 223 V CB 1.616 33.426 31.823 -0.022 0.000 0.992 223 V HN 0.523 nan 8.190 nan 0.000 0.426 224 Q N 2.579 122.477 119.800 0.163 0.000 2.303 224 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 224 Q C 0.908 176.967 176.000 0.098 0.000 0.941 224 Q CA 0.045 55.946 55.803 0.164 0.000 0.931 224 Q CB 2.127 30.966 28.738 0.169 0.000 1.215 224 Q HN 0.924 nan 8.270 nan 0.000 0.437 225 G N 1.375 110.235 108.800 0.100 0.000 2.670 225 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.219 225 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.219 225 G C 0.965 175.934 174.900 0.115 0.000 1.342 225 G CA 0.566 45.674 45.100 0.015 0.000 0.902 225 G HN 0.646 nan 8.290 nan 0.000 0.553 226 A N 0.353 123.267 122.820 0.158 0.000 2.209 226 A HA 0.320 4.640 4.320 -0.000 0.000 0.212 226 A C 2.233 179.780 177.584 -0.062 0.000 1.158 226 A CA 1.611 53.523 52.037 -0.208 0.000 0.742 226 A CB -0.444 18.085 19.000 -0.785 0.000 0.790 226 A HN 0.611 nan 8.150 nan 0.000 0.472 227 G N -2.004 106.876 108.800 0.132 0.000 3.042 227 G HA2 0.391 4.351 3.960 -0.000 0.000 0.212 227 G HA3 0.391 4.351 3.960 -0.000 0.000 0.212 227 G C 0.812 175.819 174.900 0.180 0.000 1.166 227 G CA 0.743 45.949 45.100 0.175 0.000 0.767 227 G HN 1.381 nan 8.290 nan 0.000 0.546 228 G N -0.620 108.307 108.800 0.211 0.000 3.784 228 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.220 228 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.220 228 G C 0.567 175.417 174.900 -0.084 0.000 0.895 228 G CA -0.054 45.069 45.100 0.038 0.000 0.939 228 G HN 0.224 nan 8.290 nan 0.000 0.708 229 M N -0.012 119.566 119.600 -0.036 0.000 2.206 229 M HA -0.145 4.335 4.480 -0.000 0.000 0.197 229 M C 0.346 176.463 176.300 -0.305 0.000 0.375 229 M CA 0.942 56.142 55.300 -0.167 0.000 0.410 229 M CB -1.853 30.575 32.600 -0.286 0.000 1.204 229 M HN 0.564 nan 8.290 nan 0.000 0.932 230 R N -0.358 120.036 120.500 -0.177 0.000 2.368 230 R HA 0.732 5.072 4.340 -0.000 0.000 0.302 230 R C -0.103 176.179 176.300 -0.031 0.000 1.002 230 R CA -0.378 55.578 56.100 -0.241 0.000 0.929 230 R CB 1.045 31.264 30.300 -0.134 0.000 1.073 230 R HN 0.173 nan 8.270 nan 0.000 0.464 231 F N 2.709 122.595 119.950 -0.106 0.000 2.432 231 F HA 0.399 4.926 4.527 -0.000 0.000 0.329 231 F C 1.045 176.780 175.800 -0.108 0.000 1.076 231 F CA -0.970 56.934 58.000 -0.160 0.000 1.018 231 F CB 1.280 40.190 39.000 -0.150 0.000 1.201 231 F HN 0.489 nan 8.300 nan 0.000 0.489 232 H N -0.783 118.353 119.070 0.110 0.000 2.961 232 H HA 0.229 4.785 4.556 -0.000 0.000 0.371 232 H C -1.646 173.760 175.328 0.130 0.000 1.190 232 H CA -1.069 55.016 56.048 0.063 0.000 1.138 232 H CB 1.682 31.369 29.762 -0.125 0.000 1.816 232 H HN 0.562 nan 8.280 nan 0.000 0.551 233 D N 1.991 122.608 120.400 0.362 0.000 2.450 233 D HA 0.023 4.663 4.640 -0.000 0.000 0.247 233 D C -1.547 174.874 176.300 0.202 0.000 1.162 233 D CA -1.327 52.766 54.000 0.154 0.000 0.879 233 D CB 1.465 42.288 40.800 0.038 0.000 1.163 233 D HN 0.328 nan 8.370 nan 0.000 0.472 234 P HA -0.119 nan 4.420 nan 0.000 0.220 234 P C 1.136 178.486 177.300 0.083 0.000 1.144 234 P CA 0.947 64.109 63.100 0.103 0.000 0.800 234 P CB 0.176 31.901 31.700 0.042 0.000 0.772 235 R N -1.917 118.498 120.500 -0.141 0.000 2.159 235 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 235 R C 2.014 178.302 176.300 -0.020 0.000 1.131 235 R CA 1.136 57.054 56.100 -0.304 0.000 0.982 235 R CB -0.701 28.975 30.300 -1.041 0.000 0.868 235 R HN 0.283 nan 8.270 nan 0.000 0.453 236 Y N 0.614 121.053 120.300 0.232 0.000 2.224 236 Y HA -0.175 4.375 4.550 -0.000 0.000 0.289 236 Y C 2.047 178.130 175.900 0.305 0.000 1.146 236 Y CA 1.041 59.350 58.100 0.348 0.000 1.182 236 Y CB -0.309 38.327 38.460 0.294 0.000 0.983 236 Y HN 0.013 nan 8.280 nan 0.000 0.524 237 L N -1.532 119.963 121.223 0.454 0.000 2.093 237 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 237 L C 2.327 179.397 176.870 0.333 0.000 1.085 237 L CA 1.556 56.633 54.840 0.394 0.000 0.755 237 L CB -0.733 41.527 42.059 0.336 0.000 0.904 237 L HN 0.226 nan 8.230 nan 0.000 0.435 238 H N 0.720 119.898 119.070 0.180 0.000 2.290 238 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 238 H C 1.900 177.302 175.328 0.123 0.000 1.087 238 H CA 2.154 58.271 56.048 0.116 0.000 1.291 238 H CB 0.027 29.812 29.762 0.039 0.000 1.369 238 H HN 0.227 nan 8.280 nan 0.000 0.492 239 D N -0.068 120.449 120.400 0.195 0.000 2.097 239 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 239 D C 2.304 178.651 176.300 0.077 0.000 0.989 239 D CA 0.786 54.879 54.000 0.155 0.000 0.827 239 D CB -0.404 40.579 40.800 0.305 0.000 0.966 239 D HN 0.253 nan 8.370 nan 0.000 0.456 240 L N 0.781 122.045 121.223 0.069 0.000 2.042 240 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 240 L C 2.392 179.255 176.870 -0.012 0.000 1.076 240 L CA 1.342 56.158 54.840 -0.041 0.000 0.749 240 L CB -0.806 41.204 42.059 -0.082 0.000 0.893 240 L HN -0.061 nan 8.230 nan 0.000 0.432 241 R N 0.020 120.519 120.500 -0.003 0.000 2.091 241 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 241 R C 2.051 178.318 176.300 -0.055 0.000 1.136 241 R CA 2.048 58.116 56.100 -0.052 0.000 0.959 241 R CB -0.755 29.510 30.300 -0.058 0.000 0.856 241 R HN 0.466 nan 8.270 nan 0.000 0.437 242 D N -0.662 119.692 120.400 -0.076 0.000 2.117 242 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 242 D C 1.885 178.216 176.300 0.051 0.000 0.982 242 D CA 1.524 55.498 54.000 -0.043 0.000 0.828 242 D CB -0.010 40.744 40.800 -0.077 0.000 0.967 242 D HN 0.351 nan 8.370 nan 0.000 0.464 243 I N 0.021 120.649 120.570 0.098 0.000 2.127 243 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 243 I C 2.466 178.729 176.117 0.244 0.000 1.075 243 I CA 0.856 62.286 61.300 0.216 0.000 1.334 243 I CB -0.334 37.782 38.000 0.193 0.000 1.040 243 I HN 0.256 nan 8.210 nan 0.000 0.405 244 C N 0.726 120.105 119.300 0.131 0.000 2.413 244 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 244 C C 2.992 178.049 174.990 0.112 0.000 1.248 244 C CA 1.462 60.548 59.018 0.114 0.000 1.742 244 C CB -1.321 26.438 27.740 0.032 0.000 2.017 244 C HN 0.544 nan 8.230 nan 0.000 0.481 245 R N 1.292 121.829 120.500 0.060 0.000 2.073 245 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 245 R C 2.189 178.512 176.300 0.039 0.000 1.134 245 R CA 1.682 57.807 56.100 0.041 0.000 0.952 245 R CB -0.556 29.745 30.300 0.002 0.000 0.850 245 R HN 0.450 nan 8.270 nan 0.000 0.433 246 R N -0.776 119.737 120.500 0.021 0.000 2.120 246 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 246 R C 1.084 177.255 176.300 -0.216 0.000 1.123 246 R CA 1.596 57.630 56.100 -0.109 0.000 0.975 246 R CB -0.167 30.030 30.300 -0.171 0.000 0.866 246 R HN 0.369 nan 8.270 nan 0.000 0.446 247 Y N 0.625 120.938 120.300 0.021 0.000 2.485 247 Y HA 0.126 4.676 4.550 -0.000 0.000 0.260 247 Y C -0.110 175.782 175.900 -0.014 0.000 1.173 247 Y CA -0.269 57.831 58.100 0.000 0.000 1.252 247 Y CB 0.359 38.818 38.460 -0.001 0.000 1.123 247 Y HN -0.036 nan 8.280 nan 0.000 0.524 248 E N 0.207 120.490 120.200 0.139 0.000 2.230 248 E HA -0.170 4.180 4.350 -0.000 0.000 0.206 248 E C -1.124 175.556 176.600 0.133 0.000 1.309 248 E CA 0.393 56.902 56.400 0.183 0.000 0.697 248 E CB -1.580 28.183 29.700 0.106 0.000 1.146 248 E HN 0.082 nan 8.360 nan 0.000 0.363 249 V N 1.399 121.434 119.914 0.202 0.000 2.656 249 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 249 V C 0.769 177.001 176.094 0.230 0.000 1.051 249 V CA -0.797 61.616 62.300 0.189 0.000 0.893 249 V CB 2.004 33.867 31.823 0.067 0.000 0.999 249 V HN 0.217 nan 8.190 nan 0.000 0.426 250 L N 4.159 125.548 121.223 0.276 0.000 2.439 250 L HA 0.319 4.659 4.340 -0.000 0.000 0.269 250 L C -0.341 176.489 176.870 -0.067 0.000 1.179 250 L CA -0.233 54.614 54.840 0.013 0.000 0.828 250 L CB 0.636 42.623 42.059 -0.119 0.000 1.106 250 L HN 0.430 nan 8.230 nan 0.000 0.467 251 L N 4.468 125.588 121.223 -0.172 0.000 2.287 251 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 251 L C -0.488 176.186 176.870 -0.327 0.000 1.022 251 L CA 0.103 54.795 54.840 -0.247 0.000 0.814 251 L CB 0.972 42.831 42.059 -0.332 0.000 1.217 251 L HN 0.307 nan 8.230 nan 0.000 0.420 252 I N 5.416 125.842 120.570 -0.241 0.000 2.406 252 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 252 I C -1.017 175.101 176.117 0.001 0.000 0.999 252 I CA -0.542 60.650 61.300 -0.181 0.000 1.124 252 I CB 1.320 39.241 38.000 -0.132 0.000 1.289 252 I HN 0.365 nan 8.210 nan 0.000 0.441 253 F N 3.684 123.599 119.950 -0.057 0.000 2.415 253 F HA 0.255 4.782 4.527 -0.000 0.000 0.348 253 F C 0.493 176.311 175.800 0.030 0.000 1.119 253 F CA -1.369 56.631 58.000 0.000 0.000 1.069 253 F CB 0.904 39.911 39.000 0.010 0.000 1.124 253 F HN 0.376 nan 8.300 nan 0.000 0.472 254 D N 3.444 124.021 120.400 0.296 0.000 2.411 254 D HA 0.103 4.743 4.640 -0.000 0.000 0.225 254 D C 0.183 176.614 176.300 0.219 0.000 1.156 254 D CA 0.112 54.260 54.000 0.247 0.000 0.874 254 D CB 0.461 41.476 40.800 0.360 0.000 1.034 254 D HN 0.570 nan 8.370 nan 0.000 0.502 255 E N 3.570 123.885 120.200 0.192 0.000 2.496 255 E HA 0.098 4.448 4.350 -0.000 0.000 0.202 255 E C 1.542 178.279 176.600 0.228 0.000 1.021 255 E CA -0.202 56.313 56.400 0.193 0.000 1.015 255 E CB 0.564 30.380 29.700 0.194 0.000 1.102 255 E HN 0.612 nan 8.360 nan 0.000 0.452 256 I N 1.071 121.779 120.570 0.231 0.000 2.264 256 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 256 I C 2.390 178.691 176.117 0.307 0.000 1.111 256 I CA 1.503 62.958 61.300 0.258 0.000 1.382 256 I CB -0.050 38.078 38.000 0.213 0.000 1.060 256 I HN 0.123 nan 8.210 nan 0.000 0.418 257 A N 0.096 123.106 122.820 0.317 0.000 1.943 257 A HA -0.092 4.228 4.320 -0.000 0.000 0.213 257 A C 2.341 180.067 177.584 0.236 0.000 1.181 257 A CA 1.409 53.670 52.037 0.373 0.000 0.653 257 A CB -0.864 18.389 19.000 0.421 0.000 0.833 257 A HN 0.449 nan 8.150 nan 0.000 0.451 258 T N -2.187 112.470 114.554 0.173 0.000 3.067 258 T HA 0.278 4.628 4.350 -0.000 0.000 0.261 258 T C 1.140 175.882 174.700 0.069 0.000 1.110 258 T CA 0.499 62.656 62.100 0.095 0.000 1.113 258 T CB -0.556 68.351 68.868 0.065 0.000 0.917 258 T HN 0.430 nan 8.240 nan 0.000 0.499 259 G N 0.425 109.305 108.800 0.134 0.000 2.664 259 G HA2 0.386 4.346 3.960 -0.000 0.000 0.242 259 G HA3 0.386 4.346 3.960 -0.000 0.000 0.242 259 G C -0.285 174.509 174.900 -0.176 0.000 1.225 259 G CA -0.819 44.249 45.100 -0.054 0.000 0.849 259 G HN 0.437 nan 8.290 nan 0.000 0.581 260 F N -0.797 118.771 119.950 -0.637 0.000 3.040 260 F HA -0.210 4.316 4.527 -0.000 0.000 0.298 260 F C 1.793 177.382 175.800 -0.351 0.000 0.948 260 F CA 1.277 58.964 58.000 -0.521 0.000 1.022 260 F CB -1.470 37.411 39.000 -0.198 0.000 1.023 260 F HN 1.578 nan 8.300 nan 0.000 0.742 261 G N -0.909 107.607 108.800 -0.474 0.000 2.225 261 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.254 261 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.254 261 G C 0.956 175.765 174.900 -0.152 0.000 0.988 261 G CA 0.624 45.486 45.100 -0.396 0.000 0.625 261 G HN 0.612 nan 8.290 nan 0.000 0.527 262 R N 1.489 121.998 120.500 0.014 0.000 2.117 262 R HA -0.062 4.278 4.340 -0.000 0.000 0.243 262 R C 2.600 178.897 176.300 -0.006 0.000 1.143 262 R CA 2.905 59.063 56.100 0.097 0.000 0.968 262 R CB -0.916 29.467 30.300 0.139 0.000 0.863 262 R HN 0.801 nan 8.270 nan 0.000 0.444 263 T N -3.885 110.655 114.554 -0.022 0.000 3.163 263 T HA 0.322 4.672 4.350 -0.000 0.000 0.252 263 T C 1.184 175.955 174.700 0.118 0.000 1.056 263 T CA 0.318 62.418 62.100 -0.000 0.000 0.947 263 T CB 0.313 69.206 68.868 0.041 0.000 1.016 263 T HN 0.421 nan 8.240 nan 0.000 0.554 264 G N 0.664 109.510 108.800 0.075 0.000 2.217 264 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.246 264 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.246 264 G C 0.258 175.302 174.900 0.240 0.000 0.990 264 G CA -0.222 44.971 45.100 0.154 0.000 0.627 264 G HN 1.250 nan 8.290 nan 0.000 0.522 265 A N -0.669 122.169 122.820 0.030 0.000 2.330 265 A HA 0.850 5.170 4.320 -0.000 0.000 0.329 265 A C 1.177 178.607 177.584 -0.258 0.000 1.135 265 A CA 0.227 52.207 52.037 -0.094 0.000 0.817 265 A CB 1.156 19.749 19.000 -0.678 0.000 1.269 265 A HN 0.989 nan 8.150 nan 0.000 0.469 266 L N 0.338 121.332 121.223 -0.381 0.000 2.012 266 L HA 0.062 4.402 4.340 -0.000 0.000 0.210 266 L C -0.107 176.092 176.870 -1.119 0.000 1.073 266 L CA 2.067 56.347 54.840 -0.934 0.000 0.748 266 L CB -0.563 41.103 42.059 -0.654 0.000 0.891 266 L HN 0.611 nan 8.230 nan 0.000 0.431 267 F N -2.921 116.865 119.950 -0.273 0.000 2.563 267 F HA 0.494 5.021 4.527 -0.000 0.000 0.316 267 F C 1.054 176.737 175.800 -0.195 0.000 1.076 267 F CA -0.358 57.507 58.000 -0.225 0.000 0.921 267 F CB 1.211 40.096 39.000 -0.192 0.000 1.209 267 F HN -0.189 nan 8.300 nan 0.000 0.462 268 A N 1.790 124.627 122.820 0.028 0.000 1.978 268 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 268 A C 2.217 179.803 177.584 0.003 0.000 1.170 268 A CA 1.910 53.949 52.037 0.004 0.000 0.636 268 A CB -1.070 17.945 19.000 0.025 0.000 0.810 268 A HN 0.910 nan 8.150 nan 0.000 0.448 269 A N 0.364 123.208 122.820 0.040 0.000 1.948 269 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 269 A C 1.646 179.300 177.584 0.116 0.000 1.177 269 A CA 2.005 54.116 52.037 0.122 0.000 0.636 269 A CB -0.622 18.567 19.000 0.314 0.000 0.815 269 A HN 0.484 nan 8.150 nan 0.000 0.449 270 D N -0.828 119.597 120.400 0.041 0.000 2.263 270 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 270 D C 1.478 177.758 176.300 -0.033 0.000 0.971 270 D CA 0.959 54.957 54.000 -0.003 0.000 0.867 270 D CB -0.499 40.276 40.800 -0.042 0.000 0.929 270 D HN 0.581 nan 8.370 nan 0.000 0.492 271 H N -0.218 118.874 119.070 0.037 0.000 2.521 271 H HA 0.118 4.674 4.556 -0.000 0.000 0.286 271 H C 1.529 176.860 175.328 0.005 0.000 1.034 271 H CA 1.131 57.181 56.048 0.002 0.000 1.278 271 H CB 0.271 30.012 29.762 -0.036 0.000 1.386 271 H HN 0.147 nan 8.280 nan 0.000 0.567 272 A N -0.856 122.052 122.820 0.146 0.000 2.419 272 A HA 0.409 4.729 4.320 -0.000 0.000 0.233 272 A C 1.770 179.429 177.584 0.125 0.000 1.217 272 A CA 0.610 52.719 52.037 0.121 0.000 0.944 272 A CB 0.237 19.345 19.000 0.180 0.000 1.025 272 A HN 0.334 nan 8.150 nan 0.000 0.524 273 G N -0.116 108.753 108.800 0.115 0.000 2.221 273 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.265 273 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.265 273 G C 0.358 175.346 174.900 0.145 0.000 1.041 273 G CA 0.816 45.981 45.100 0.109 0.000 0.807 273 G HN 1.882 nan 8.290 nan 0.000 0.502 274 V N -2.030 117.998 119.914 0.189 0.000 2.667 274 V HA 0.925 5.045 4.120 -0.000 0.000 0.308 274 V C 0.151 176.327 176.094 0.138 0.000 1.048 274 V CA -0.090 62.317 62.300 0.178 0.000 0.928 274 V CB 2.228 34.193 31.823 0.236 0.000 1.004 274 V HN 0.604 nan 8.190 nan 0.000 0.444 275 S N 6.528 122.241 115.700 0.020 0.000 2.451 275 S HA 0.647 5.117 4.470 -0.000 0.000 0.301 275 S C -2.578 171.883 174.600 -0.232 0.000 1.116 275 S CA -0.922 57.236 58.200 -0.069 0.000 1.093 275 S CB 1.439 64.594 63.200 -0.077 0.000 1.017 275 S HN 0.939 nan 8.310 nan 0.000 0.482 276 P HA 0.334 nan 4.420 nan 0.000 0.278 276 P C -0.170 176.915 177.300 -0.359 0.000 1.266 276 P CA -0.489 62.246 63.100 -0.608 0.000 0.807 276 P CB 0.854 32.046 31.700 -0.847 0.000 1.094 277 D N -0.234 119.960 120.400 -0.344 0.000 2.194 277 D HA 0.072 4.712 4.640 -0.000 0.000 0.204 277 D C 0.721 176.855 176.300 -0.277 0.000 0.964 277 D CA 1.385 55.206 54.000 -0.299 0.000 0.846 277 D CB 0.341 40.940 40.800 -0.335 0.000 0.962 277 D HN 0.347 nan 8.370 nan 0.000 0.490 278 I N 0.206 120.616 120.570 -0.267 0.000 2.686 278 I HA 0.336 4.506 4.170 -0.000 0.000 0.295 278 I C -0.674 175.343 176.117 -0.168 0.000 1.114 278 I CA -0.695 60.481 61.300 -0.207 0.000 1.038 278 I CB 2.936 40.820 38.000 -0.193 0.000 1.238 278 I HN -0.225 nan 8.210 nan 0.000 0.420 279 M N 5.090 124.615 119.600 -0.125 0.000 2.433 279 M HA 0.593 5.073 4.480 -0.000 0.000 0.290 279 M C -1.979 174.297 176.300 -0.040 0.000 1.173 279 M CA -0.203 55.055 55.300 -0.070 0.000 0.905 279 M CB 1.947 34.476 32.600 -0.118 0.000 1.692 279 M HN 0.707 nan 8.290 nan 0.000 0.462 280 C N 4.058 123.372 119.300 0.023 0.000 2.382 280 C HA 0.894 5.354 4.460 -0.000 0.000 0.327 280 C C -0.162 174.890 174.990 0.104 0.000 1.250 280 C CA -0.705 58.349 59.018 0.060 0.000 1.707 280 C CB 0.947 28.737 27.740 0.082 0.000 2.272 280 C HN 0.708 nan 8.230 nan 0.000 0.506 281 V N 1.040 121.041 119.914 0.144 0.000 3.102 281 V HA 1.125 5.245 4.120 -0.000 0.000 0.312 281 V C -0.109 176.155 176.094 0.283 0.000 1.135 281 V CA 0.274 62.725 62.300 0.252 0.000 1.022 281 V CB 1.458 33.471 31.823 0.318 0.000 1.056 281 V HN 1.294 nan 8.190 nan 0.000 0.436 282 G N 0.023 109.028 108.800 0.342 0.000 2.435 282 G HA2 0.417 4.377 3.960 -0.000 0.000 0.228 282 G HA3 0.417 4.377 3.960 -0.000 0.000 0.228 282 G C -0.261 174.779 174.900 0.232 0.000 1.198 282 G CA 0.108 45.356 45.100 0.247 0.000 0.948 282 G HN 1.001 nan 8.290 nan 0.000 0.487 283 K N -1.162 119.337 120.400 0.166 0.000 6.999 283 K HA -0.392 3.927 4.320 -0.000 0.000 0.344 283 K C 2.190 178.843 176.600 0.087 0.000 0.603 283 K CA 2.591 58.963 56.287 0.142 0.000 1.181 283 K CB -1.507 31.119 32.500 0.210 0.000 0.790 283 K HN 1.234 nan 8.250 nan 0.000 0.953 284 A N 1.008 123.886 122.820 0.096 0.000 2.209 284 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 284 A C 1.837 179.216 177.584 -0.342 0.000 1.158 284 A CA 1.339 53.334 52.037 -0.069 0.000 0.742 284 A CB -0.289 18.704 19.000 -0.012 0.000 0.790 284 A HN 0.407 nan 8.150 nan 0.000 0.472 285 L N 0.675 121.702 121.223 -0.328 0.000 2.043 285 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 285 L C 2.270 178.938 176.870 -0.337 0.000 1.075 285 L CA 2.844 57.357 54.840 -0.545 0.000 0.752 285 L CB -0.766 41.265 42.059 -0.047 0.000 0.891 285 L HN 0.481 nan 8.230 nan 0.000 0.432 286 T N -3.709 110.756 114.554 -0.148 0.000 3.163 286 T HA 0.394 4.744 4.350 -0.000 0.000 0.252 286 T C 1.322 176.022 174.700 -0.001 0.000 1.056 286 T CA 0.146 62.203 62.100 -0.072 0.000 0.947 286 T CB -0.460 68.410 68.868 0.004 0.000 1.016 286 T HN 0.677 nan 8.240 nan 0.000 0.554 287 G N 1.094 109.857 108.800 -0.062 0.000 2.187 287 G HA2 0.015 3.975 3.960 -0.000 0.000 0.261 287 G HA3 0.015 3.975 3.960 -0.000 0.000 0.261 287 G C 1.049 176.000 174.900 0.085 0.000 1.000 287 G CA 0.275 45.388 45.100 0.021 0.000 0.718 287 G HN 1.843 nan 8.290 nan 0.000 0.519 288 G N -2.321 106.508 108.800 0.047 0.000 2.147 288 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 288 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 288 G C 0.726 175.619 174.900 -0.011 0.000 1.005 288 G CA 1.089 46.188 45.100 -0.002 0.000 0.713 288 G HN 0.888 nan 8.290 nan 0.000 0.515 289 Y N -0.672 119.602 120.300 -0.043 0.000 2.269 289 Y HA 0.530 5.079 4.550 -0.000 0.000 0.294 289 Y C 1.738 177.622 175.900 -0.026 0.000 1.120 289 Y CA 1.248 59.333 58.100 -0.024 0.000 1.159 289 Y CB 0.344 38.788 38.460 -0.027 0.000 1.024 289 Y HN 0.318 nan 8.280 nan 0.000 0.532 290 L N -1.703 119.591 121.223 0.119 0.000 2.518 290 L HA 0.268 4.607 4.340 -0.000 0.000 0.257 290 L C -0.484 176.399 176.870 0.021 0.000 0.980 290 L CA -0.906 53.961 54.840 0.044 0.000 0.837 290 L CB 2.041 44.117 42.059 0.028 0.000 1.410 290 L HN -0.369 nan 8.230 nan 0.000 0.410 291 S N 1.918 117.616 115.700 -0.003 0.000 2.465 291 S HA 0.567 5.037 4.470 -0.000 0.000 0.280 291 S C -0.736 173.871 174.600 0.011 0.000 1.232 291 S CA -0.129 58.077 58.200 0.009 0.000 1.066 291 S CB -0.145 63.054 63.200 -0.002 0.000 0.929 291 S HN 0.369 nan 8.310 nan 0.000 0.494 292 L N 4.686 125.933 121.223 0.040 0.000 2.505 292 L HA 0.864 5.204 4.340 -0.000 0.000 0.259 292 L C -0.723 176.225 176.870 0.129 0.000 0.952 292 L CA -0.055 54.823 54.840 0.063 0.000 0.840 292 L CB 1.752 43.819 42.059 0.013 0.000 1.358 292 L HN 0.697 nan 8.230 nan 0.000 0.409 293 A N 2.767 125.701 122.820 0.190 0.000 2.530 293 A HA 1.079 5.399 4.320 -0.000 0.000 0.288 293 A C -1.500 176.273 177.584 0.316 0.000 1.172 293 A CA -0.082 52.092 52.037 0.228 0.000 0.733 293 A CB 1.780 20.887 19.000 0.178 0.000 1.320 293 A HN 1.528 nan 8.150 nan 0.000 0.419 294 A N -0.446 122.521 122.820 0.244 0.000 2.574 294 A HA 0.780 5.099 4.320 -0.000 0.000 0.297 294 A C -0.734 176.893 177.584 0.072 0.000 1.062 294 A CA -0.339 51.784 52.037 0.142 0.000 0.686 294 A CB 1.294 20.305 19.000 0.018 0.000 1.285 294 A HN 1.001 nan 8.150 nan 0.000 0.403 295 T N 2.006 116.584 114.554 0.039 0.000 2.786 295 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 295 T C -0.721 173.948 174.700 -0.051 0.000 0.992 295 T CA -0.133 61.967 62.100 0.000 0.000 0.954 295 T CB 0.550 69.416 68.868 -0.002 0.000 0.934 295 T HN 0.412 nan 8.240 nan 0.000 0.440 296 L N 3.322 124.490 121.223 -0.092 0.000 2.331 296 L HA 0.800 5.140 4.340 -0.000 0.000 0.275 296 L C 0.381 177.173 176.870 -0.130 0.000 1.022 296 L CA -0.496 54.272 54.840 -0.121 0.000 0.812 296 L CB 1.448 43.416 42.059 -0.151 0.000 1.257 296 L HN 0.934 nan 8.230 nan 0.000 0.435 297 C N -1.543 117.678 119.300 -0.131 0.000 3.213 297 C HA 0.917 5.377 4.460 -0.000 0.000 0.319 297 C C 0.522 175.412 174.990 -0.166 0.000 1.386 297 C CA -0.586 58.335 59.018 -0.161 0.000 1.494 297 C CB 1.249 28.892 27.740 -0.163 0.000 1.905 297 C HN 0.932 nan 8.230 nan 0.000 0.456 298 T N -0.750 113.689 114.554 -0.193 0.000 2.788 298 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 298 T C 1.249 175.813 174.700 -0.228 0.000 1.007 298 T CA 0.223 62.209 62.100 -0.190 0.000 1.005 298 T CB 0.846 69.599 68.868 -0.191 0.000 1.012 298 T HN 1.725 nan 8.240 nan 0.000 0.530 299 A N 0.334 122.997 122.820 -0.261 0.000 1.972 299 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 299 A C 2.001 179.250 177.584 -0.559 0.000 1.169 299 A CA 1.948 53.687 52.037 -0.496 0.000 0.635 299 A CB -1.193 17.570 19.000 -0.395 0.000 0.810 299 A HN 1.012 nan 8.150 nan 0.000 0.446 300 D N -0.607 119.642 120.400 -0.252 0.000 2.117 300 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 300 D C 1.754 178.050 176.300 -0.006 0.000 0.982 300 D CA 1.458 55.401 54.000 -0.095 0.000 0.828 300 D CB -0.064 40.717 40.800 -0.031 0.000 0.967 300 D HN 0.141 nan 8.370 nan 0.000 0.464 301 V N 0.746 120.602 119.914 -0.097 0.000 2.261 301 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 301 V C 2.615 178.705 176.094 -0.007 0.000 1.047 301 V CA 1.796 64.069 62.300 -0.046 0.000 1.015 301 V CB -0.998 30.662 31.823 -0.272 0.000 0.642 301 V HN 0.352 nan 8.190 nan 0.000 0.446 302 A N -0.719 122.034 122.820 -0.112 0.000 1.883 302 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 302 A C 1.999 179.608 177.584 0.043 0.000 1.186 302 A CA 2.291 54.290 52.037 -0.064 0.000 0.624 302 A CB -0.961 17.972 19.000 -0.112 0.000 0.822 302 A HN 0.758 nan 8.150 nan 0.000 0.444 303 H N -1.541 117.523 119.070 -0.009 0.000 2.389 303 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 303 H C 2.241 177.545 175.328 -0.040 0.000 1.081 303 H CA 1.215 57.251 56.048 -0.021 0.000 1.345 303 H CB -0.020 29.729 29.762 -0.021 0.000 1.393 303 H HN 0.449 nan 8.280 nan 0.000 0.520 304 T N 0.666 115.259 114.554 0.066 0.000 2.821 304 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 304 T C 2.084 176.725 174.700 -0.098 0.000 1.046 304 T CA 0.863 62.914 62.100 -0.081 0.000 1.139 304 T CB -0.063 68.642 68.868 -0.272 0.000 0.871 304 T HN 0.240 nan 8.240 nan 0.000 0.454 305 I N 1.503 122.055 120.570 -0.030 0.000 2.233 305 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 305 I C 2.768 178.879 176.117 -0.010 0.000 1.093 305 I CA 1.293 62.578 61.300 -0.026 0.000 1.380 305 I CB -0.342 37.656 38.000 -0.002 0.000 1.067 305 I HN 0.296 nan 8.210 nan 0.000 0.413 306 S N 1.184 116.895 115.700 0.018 0.000 2.428 306 S HA -0.017 4.453 4.470 -0.000 0.000 0.230 306 S C 2.045 176.646 174.600 0.002 0.000 1.014 306 S CA 0.725 58.938 58.200 0.022 0.000 0.957 306 S CB -0.263 62.968 63.200 0.050 0.000 0.784 306 S HN 0.358 nan 8.310 nan 0.000 0.499 307 A N 1.396 124.212 122.820 -0.006 0.000 2.169 307 A HA 0.515 4.835 4.320 -0.000 0.000 0.212 307 A C 1.384 178.949 177.584 -0.032 0.000 1.153 307 A CA 0.440 52.463 52.037 -0.024 0.000 0.756 307 A CB -1.102 17.880 19.000 -0.031 0.000 0.813 307 A HN 0.650 nan 8.150 nan 0.000 0.471 308 G N -1.987 106.792 108.800 -0.036 0.000 2.653 308 G HA2 0.426 4.386 3.960 -0.000 0.000 0.265 308 G HA3 0.426 4.386 3.960 -0.000 0.000 0.265 308 G C 1.071 175.956 174.900 -0.024 0.000 1.237 308 G CA 0.117 45.193 45.100 -0.039 0.000 0.946 308 G HN 0.478 nan 8.290 nan 0.000 0.522 309 A N 0.167 122.975 122.820 -0.021 0.000 1.824 309 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 309 A C 2.822 180.401 177.584 -0.008 0.000 1.244 309 A CA 2.600 54.629 52.037 -0.013 0.000 0.604 309 A CB -1.262 17.731 19.000 -0.011 0.000 0.900 309 A HN 1.486 nan 8.150 nan 0.000 0.455 310 A N -1.272 121.545 122.820 -0.005 0.000 1.915 310 A HA 0.266 4.586 4.320 -0.000 0.000 0.220 310 A C 2.112 179.697 177.584 0.002 0.000 1.198 310 A CA 2.332 54.369 52.037 -0.001 0.000 0.647 310 A CB -1.613 17.388 19.000 0.001 0.000 0.825 310 A HN 2.467 nan 8.150 nan 0.000 0.456 311 G N -2.689 106.113 108.800 0.003 0.000 2.804 311 G HA2 0.307 4.267 3.960 -0.000 0.000 0.230 311 G HA3 0.307 4.267 3.960 -0.000 0.000 0.230 311 G C 0.635 175.545 174.900 0.016 0.000 1.386 311 G CA 1.160 46.267 45.100 0.011 0.000 0.875 311 G HN 2.374 nan 8.290 nan 0.000 0.557 312 A N -2.654 120.183 122.820 0.028 0.000 2.237 312 A HA 0.064 4.383 4.320 -0.000 0.000 0.281 312 A C 1.380 178.976 177.584 0.021 0.000 1.414 312 A CA 1.201 53.259 52.037 0.035 0.000 0.733 312 A CB -1.364 17.652 19.000 0.027 0.000 1.168 312 A HN 2.440 nan 8.150 nan 0.000 0.347 313 L N 1.074 122.308 121.223 0.019 0.000 2.072 313 L HA 0.205 4.545 4.340 -0.000 0.000 0.205 313 L C 1.280 178.130 176.870 -0.034 0.000 1.079 313 L CA 1.930 56.747 54.840 -0.039 0.000 0.752 313 L CB -0.188 41.812 42.059 -0.098 0.000 0.906 313 L HN 0.765 nan 8.230 nan 0.000 0.436 314 M N -2.274 117.360 119.600 0.057 0.000 2.664 314 M HA 0.309 4.789 4.480 -0.000 0.000 0.279 314 M C 0.703 177.092 176.300 0.148 0.000 1.275 314 M CA -0.437 54.935 55.300 0.120 0.000 0.829 314 M CB 1.869 34.631 32.600 0.270 0.000 1.727 314 M HN -0.168 nan 8.290 nan 0.000 0.459 315 R N 0.318 120.898 120.500 0.132 0.000 2.087 315 R HA 0.433 4.773 4.340 -0.000 0.000 0.216 315 R C 0.271 176.640 176.300 0.115 0.000 1.114 315 R CA 0.781 56.944 56.100 0.105 0.000 1.002 315 R CB 0.384 30.725 30.300 0.068 0.000 0.903 315 R HN 0.965 nan 8.270 nan 0.000 0.445 316 G N 2.205 111.086 108.800 0.135 0.000 3.326 316 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.681 316 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.681 316 G C -3.113 171.941 174.900 0.257 0.000 1.255 316 G CA -1.181 44.018 45.100 0.166 0.000 0.976 316 G HN -0.075 nan 8.290 nan 0.000 0.563 317 P HA 0.407 nan 4.420 nan 0.000 0.282 317 P C 1.370 178.748 177.300 0.131 0.000 1.249 317 P CA -0.195 63.010 63.100 0.174 0.000 0.806 317 P CB 0.951 32.770 31.700 0.200 0.000 0.984 318 T N 0.814 115.415 114.554 0.078 0.000 2.620 318 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 318 T C 0.906 175.535 174.700 -0.119 0.000 1.044 318 T CA 1.875 63.939 62.100 -0.060 0.000 1.161 318 T CB -0.920 67.851 68.868 -0.162 0.000 0.862 318 T HN 0.388 nan 8.240 nan 0.000 0.438 319 F N 0.807 120.802 119.950 0.075 0.000 2.663 319 F HA 0.401 4.929 4.527 0.002 0.000 0.299 319 F C 0.860 176.722 175.800 0.104 0.000 1.143 319 F CA -0.655 57.369 58.000 0.040 0.000 1.387 319 F CB -0.567 38.357 39.000 -0.125 0.000 1.019 319 F HN 0.124 nan 8.300 nan 0.000 0.523 320 M N 1.179 120.903 119.600 0.206 0.000 2.261 320 M HA 0.184 4.664 4.480 -0.000 0.000 0.350 320 M C 1.087 177.319 176.300 -0.113 0.000 1.343 320 M CA 0.749 56.090 55.300 0.070 0.000 1.003 320 M CB 0.281 32.914 32.600 0.055 0.000 1.848 320 M HN 0.354 nan 8.290 nan 0.000 0.456 321 A N 3.361 126.018 122.820 -0.272 0.000 2.872 321 A HA -0.268 4.052 4.320 -0.000 0.000 0.273 321 A C 0.204 177.656 177.584 -0.221 0.000 1.442 321 A CA 1.058 52.742 52.037 -0.588 0.000 0.801 321 A CB -2.803 15.367 19.000 -1.384 0.000 1.031 321 A HN 1.070 nan 8.150 nan 0.000 0.582 322 N N 0.109 118.802 118.700 -0.012 0.000 2.160 322 N HA 0.130 4.870 4.740 -0.000 0.000 0.283 322 N C -0.834 174.656 175.510 -0.032 0.000 1.363 322 N CA -0.020 53.121 53.050 0.152 0.000 0.848 322 N CB 0.496 39.047 38.487 0.106 0.000 1.127 322 N HN 0.268 nan 8.380 nan 0.000 0.493 323 P HA -0.230 nan 4.420 nan 0.000 0.216 323 P C 1.315 178.534 177.300 -0.135 0.000 1.157 323 P CA 1.352 64.281 63.100 -0.285 0.000 0.880 323 P CB 0.137 31.585 31.700 -0.420 0.000 0.791 324 L N -1.223 119.956 121.223 -0.074 0.000 1.994 324 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 324 L C 2.555 179.376 176.870 -0.081 0.000 1.071 324 L CA 1.855 56.656 54.840 -0.065 0.000 0.745 324 L CB -1.288 40.748 42.059 -0.038 0.000 0.892 324 L HN -0.049 nan 8.230 nan 0.000 0.431 325 A N -1.046 121.724 122.820 -0.083 0.000 1.933 325 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 325 A C 2.396 179.898 177.584 -0.137 0.000 1.175 325 A CA 1.800 53.780 52.037 -0.095 0.000 0.628 325 A CB -1.164 17.782 19.000 -0.089 0.000 0.814 325 A HN 0.553 nan 8.150 nan 0.000 0.444 326 C N -1.086 118.104 119.300 -0.184 0.000 2.429 326 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 326 C C 3.321 178.235 174.990 -0.126 0.000 1.262 326 C CA 0.746 59.633 59.018 -0.218 0.000 1.733 326 C CB -1.326 26.256 27.740 -0.264 0.000 2.010 326 C HN 0.706 nan 8.230 nan 0.000 0.483 327 A N -0.271 122.485 122.820 -0.106 0.000 1.877 327 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 327 A C 2.378 179.894 177.584 -0.113 0.000 1.186 327 A CA 2.065 54.050 52.037 -0.087 0.000 0.620 327 A CB -1.039 17.912 19.000 -0.081 0.000 0.822 327 A HN 0.382 nan 8.150 nan 0.000 0.443 328 V N -0.353 119.473 119.914 -0.147 0.000 2.515 328 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 328 V C 2.665 178.645 176.094 -0.189 0.000 1.058 328 V CA 2.681 64.846 62.300 -0.226 0.000 1.064 328 V CB -0.181 31.454 31.823 -0.312 0.000 0.675 328 V HN 0.653 nan 8.190 nan 0.000 0.461 329 S N -0.994 114.625 115.700 -0.135 0.000 2.368 329 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 329 S C 1.946 176.502 174.600 -0.074 0.000 1.029 329 S CA 1.857 59.990 58.200 -0.111 0.000 0.988 329 S CB -0.191 62.957 63.200 -0.086 0.000 0.838 329 S HN 0.452 nan 8.310 nan 0.000 0.462 330 V N 2.392 122.276 119.914 -0.051 0.000 2.252 330 V HA -0.217 3.902 4.120 -0.000 0.000 0.249 330 V C 2.944 179.015 176.094 -0.038 0.000 1.056 330 V CA 2.011 64.301 62.300 -0.016 0.000 1.022 330 V CB -1.497 30.322 31.823 -0.006 0.000 0.641 330 V HN 0.639 nan 8.190 nan 0.000 0.445 331 A N -0.835 121.937 122.820 -0.080 0.000 1.883 331 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 331 A C 2.562 180.063 177.584 -0.138 0.000 1.186 331 A CA 2.516 54.488 52.037 -0.109 0.000 0.624 331 A CB -0.969 17.944 19.000 -0.145 0.000 0.822 331 A HN 0.492 nan 8.150 nan 0.000 0.444 332 S N -0.828 114.794 115.700 -0.131 0.000 2.359 332 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 332 S C 1.923 176.544 174.600 0.035 0.000 1.035 332 S CA 1.758 59.924 58.200 -0.056 0.000 1.018 332 S CB -0.513 62.664 63.200 -0.040 0.000 0.876 332 S HN 0.318 nan 8.310 nan 0.000 0.448 333 V N 1.720 121.632 119.914 -0.004 0.000 2.358 333 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 333 V C 2.448 178.587 176.094 0.075 0.000 1.047 333 V CA 1.998 64.340 62.300 0.070 0.000 1.035 333 V CB -0.769 31.128 31.823 0.123 0.000 0.658 333 V HN 0.521 nan 8.190 nan 0.000 0.452 334 E N -0.150 120.069 120.200 0.031 0.000 2.110 334 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 334 E C 2.274 178.873 176.600 -0.001 0.000 0.988 334 E CA 1.077 57.492 56.400 0.025 0.000 0.804 334 E CB -0.154 29.551 29.700 0.007 0.000 0.745 334 E HN 0.459 nan 8.360 nan 0.000 0.458 335 L N 0.801 121.969 121.223 -0.091 0.000 2.042 335 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 335 L C 2.495 179.342 176.870 -0.038 0.000 1.076 335 L CA 0.957 55.678 54.840 -0.197 0.000 0.749 335 L CB -0.174 41.501 42.059 -0.641 0.000 0.893 335 L HN 0.230 nan 8.230 nan 0.000 0.432 336 L N -0.456 120.830 121.223 0.105 0.000 2.027 336 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 336 L C 2.204 179.215 176.870 0.235 0.000 1.074 336 L CA 1.632 56.634 54.840 0.269 0.000 0.745 336 L CB -0.482 41.719 42.059 0.237 0.000 0.898 336 L HN 0.127 nan 8.230 nan 0.000 0.433 337 L N -0.144 121.179 121.223 0.167 0.000 2.291 337 L HA 0.058 4.398 4.340 -0.000 0.000 0.214 337 L C 2.353 179.351 176.870 0.215 0.000 1.120 337 L CA 1.579 56.549 54.840 0.217 0.000 0.799 337 L CB -1.646 40.501 42.059 0.146 0.000 0.925 337 L HN 0.388 nan 8.230 nan 0.000 0.446 338 G N -1.128 107.761 108.800 0.148 0.000 2.920 338 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 338 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 338 G C 0.548 175.517 174.900 0.115 0.000 1.159 338 G CA -0.040 45.125 45.100 0.108 0.000 0.784 338 G HN 0.483 nan 8.290 nan 0.000 0.535 339 Q N -0.720 119.181 119.800 0.168 0.000 2.445 339 Q HA 0.382 4.722 4.340 -0.000 0.000 0.281 339 Q C -1.435 174.643 176.000 0.129 0.000 1.101 339 Q CA -0.987 54.902 55.803 0.144 0.000 0.833 339 Q CB 1.346 30.182 28.738 0.163 0.000 1.416 339 Q HN -0.103 nan 8.270 nan 0.000 0.451 340 D N 1.938 122.358 120.400 0.033 0.000 2.597 340 D HA -0.013 4.627 4.640 -0.000 0.000 0.228 340 D C 0.613 176.849 176.300 -0.107 0.000 1.120 340 D CA -0.252 53.686 54.000 -0.104 0.000 1.083 340 D CB -0.245 40.493 40.800 -0.103 0.000 1.116 340 D HN 0.696 nan 8.370 nan 0.000 0.487 341 W N 2.696 123.997 121.300 0.002 0.000 2.402 341 W HA -0.103 4.558 4.660 0.000 0.000 0.286 341 W C 1.536 178.000 176.519 -0.092 0.000 1.221 341 W CA -0.091 57.235 57.345 -0.032 0.000 1.257 341 W CB -0.663 28.789 29.460 -0.013 0.000 1.120 341 W HN 0.262 nan 8.180 nan 0.000 0.551 342 R N 0.919 120.849 120.500 -0.950 0.000 2.075 342 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 342 R C 2.336 178.426 176.300 -0.349 0.000 1.126 342 R CA 2.415 57.986 56.100 -0.881 0.000 0.963 342 R CB -0.522 29.042 30.300 -1.226 0.000 0.858 342 R HN 0.004 nan 8.270 nan 0.000 0.435 343 T N 0.492 114.870 114.554 -0.293 0.000 2.737 343 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 343 T C 1.698 176.345 174.700 -0.088 0.000 1.038 343 T CA 1.511 63.518 62.100 -0.155 0.000 1.144 343 T CB -0.261 68.532 68.868 -0.125 0.000 0.866 343 T HN 0.219 nan 8.240 nan 0.000 0.434 344 R N 1.118 121.583 120.500 -0.059 0.000 2.096 344 R HA -0.070 4.270 4.340 -0.000 0.000 0.240 344 R C 2.149 178.425 176.300 -0.040 0.000 1.139 344 R CA 1.490 57.583 56.100 -0.011 0.000 0.952 344 R CB -0.743 29.585 30.300 0.047 0.000 0.854 344 R HN 0.301 nan 8.270 nan 0.000 0.436 345 I N 0.139 120.662 120.570 -0.078 0.000 2.315 345 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 345 I C 1.842 177.923 176.117 -0.059 0.000 1.117 345 I CA 1.519 62.756 61.300 -0.106 0.000 1.404 345 I CB -1.432 36.503 38.000 -0.107 0.000 1.071 345 I HN 0.245 nan 8.210 nan 0.000 0.419 346 T N 0.969 115.488 114.554 -0.058 0.000 2.652 346 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 346 T C 1.772 176.452 174.700 -0.034 0.000 1.039 346 T CA 1.487 63.558 62.100 -0.050 0.000 1.153 346 T CB -0.276 68.553 68.868 -0.064 0.000 0.863 346 T HN 0.416 nan 8.240 nan 0.000 0.428 347 E N 0.816 120.999 120.200 -0.028 0.000 2.118 347 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 347 E C 2.230 178.830 176.600 0.001 0.000 0.992 347 E CA 0.918 57.313 56.400 -0.010 0.000 0.804 347 E CB -0.368 29.332 29.700 -0.000 0.000 0.741 347 E HN 0.413 nan 8.360 nan 0.000 0.458 348 L N 0.471 121.694 121.223 0.001 0.000 2.056 348 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 348 L C 2.575 179.449 176.870 0.008 0.000 1.078 348 L CA 0.947 55.796 54.840 0.015 0.000 0.749 348 L CB -0.399 41.673 42.059 0.023 0.000 0.901 348 L HN 0.142 nan 8.230 nan 0.000 0.433 349 A N -0.015 122.799 122.820 -0.010 0.000 1.902 349 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 349 A C 2.517 180.098 177.584 -0.005 0.000 1.181 349 A CA 1.765 53.794 52.037 -0.013 0.000 0.623 349 A CB -0.757 18.222 19.000 -0.034 0.000 0.818 349 A HN 0.397 nan 8.150 nan 0.000 0.443 350 A N -0.537 122.279 122.820 -0.007 0.000 1.902 350 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 350 A C 2.400 179.986 177.584 0.005 0.000 1.181 350 A CA 1.927 53.962 52.037 -0.004 0.000 0.623 350 A CB -1.345 17.651 19.000 -0.007 0.000 0.818 350 A HN 0.728 nan 8.150 nan 0.000 0.443 351 G N -0.280 108.525 108.800 0.009 0.000 2.402 351 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 351 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 351 G C 1.551 176.461 174.900 0.016 0.000 1.162 351 G CA 1.000 46.109 45.100 0.015 0.000 0.777 351 G HN 0.428 nan 8.290 nan 0.000 0.539 352 L N 0.465 121.699 121.223 0.018 0.000 2.056 352 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 352 L C 3.202 180.085 176.870 0.021 0.000 1.078 352 L CA 1.478 56.331 54.840 0.023 0.000 0.749 352 L CB -0.681 41.397 42.059 0.031 0.000 0.901 352 L HN 0.161 nan 8.230 nan 0.000 0.433 353 T N -0.087 114.478 114.554 0.017 0.000 2.674 353 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 353 T C 2.018 176.725 174.700 0.011 0.000 1.039 353 T CA 1.420 63.530 62.100 0.015 0.000 1.150 353 T CB -0.316 68.558 68.868 0.009 0.000 0.864 353 T HN 0.441 nan 8.240 nan 0.000 0.427 354 A N 1.249 124.074 122.820 0.009 0.000 1.933 354 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 354 A C 2.573 180.162 177.584 0.009 0.000 1.175 354 A CA 1.838 53.880 52.037 0.008 0.000 0.628 354 A CB -1.206 17.799 19.000 0.008 0.000 0.814 354 A HN 0.532 nan 8.150 nan 0.000 0.444 355 G N -0.991 107.815 108.800 0.010 0.000 2.464 355 G HA2 0.112 4.072 3.960 -0.000 0.000 0.217 355 G HA3 0.112 4.072 3.960 -0.000 0.000 0.217 355 G C 1.333 176.237 174.900 0.007 0.000 1.138 355 G CA 0.735 45.840 45.100 0.009 0.000 0.793 355 G HN 0.430 nan 8.290 nan 0.000 0.539 356 L N -0.150 121.078 121.223 0.009 0.000 2.590 356 L HA 0.208 4.548 4.340 -0.000 0.000 0.227 356 L C 2.011 178.883 176.870 0.003 0.000 1.099 356 L CA 0.181 55.025 54.840 0.007 0.000 0.872 356 L CB 0.195 42.262 42.059 0.013 0.000 1.088 356 L HN 0.106 nan 8.230 nan 0.000 0.479 357 D N 0.765 121.168 120.400 0.004 0.000 2.126 357 D HA -0.234 4.405 4.640 -0.000 0.000 0.190 357 D C 1.911 178.210 176.300 -0.002 0.000 1.001 357 D CA 2.338 56.340 54.000 0.002 0.000 0.841 357 D CB 0.259 41.060 40.800 0.002 0.000 0.949 357 D HN 0.205 nan 8.370 nan 0.000 0.446 358 T N -0.178 114.375 114.554 -0.001 0.000 2.649 358 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 358 T C 2.035 176.731 174.700 -0.006 0.000 1.036 358 T CA 1.897 63.995 62.100 -0.003 0.000 1.157 358 T CB -0.902 67.964 68.868 -0.002 0.000 0.861 358 T HN 0.308 nan 8.240 nan 0.000 0.445 359 A N 1.139 123.954 122.820 -0.007 0.000 2.131 359 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 359 A C 2.337 179.913 177.584 -0.014 0.000 1.158 359 A CA 1.493 53.523 52.037 -0.011 0.000 0.665 359 A CB -0.707 18.286 19.000 -0.012 0.000 0.795 359 A HN 0.453 nan 8.150 nan 0.000 0.460 360 R N -0.692 119.800 120.500 -0.013 0.000 2.148 360 R HA -0.040 4.300 4.340 -0.000 0.000 0.227 360 R C 1.972 178.263 176.300 -0.016 0.000 1.103 360 R CA 1.018 57.108 56.100 -0.016 0.000 0.983 360 R CB -0.220 30.072 30.300 -0.014 0.000 0.874 360 R HN 0.480 nan 8.270 nan 0.000 0.451 361 A N 0.320 123.132 122.820 -0.013 0.000 2.208 361 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 361 A C 0.678 178.254 177.584 -0.013 0.000 1.161 361 A CA -0.013 52.017 52.037 -0.012 0.000 0.782 361 A CB -0.011 18.983 19.000 -0.009 0.000 0.816 361 A HN 0.146 nan 8.150 nan 0.000 0.477 362 L N 0.647 121.862 121.223 -0.015 0.000 2.426 362 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 362 L C -0.849 176.011 176.870 -0.018 0.000 1.169 362 L CA -1.537 53.294 54.840 -0.015 0.000 0.836 362 L CB 0.612 42.661 42.059 -0.017 0.000 1.112 362 L HN 0.139 nan 8.230 nan 0.000 0.465 363 P HA -0.213 nan 4.420 nan 0.000 0.216 363 P C 0.733 178.021 177.300 -0.021 0.000 1.150 363 P CA 1.435 64.524 63.100 -0.017 0.000 0.843 363 P CB 0.230 31.921 31.700 -0.015 0.000 0.787 364 A N -0.913 121.894 122.820 -0.023 0.000 2.308 364 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 364 A C 0.807 178.371 177.584 -0.034 0.000 1.216 364 A CA -0.006 52.015 52.037 -0.028 0.000 0.864 364 A CB -0.094 18.889 19.000 -0.027 0.000 0.902 364 A HN 0.045 nan 8.150 nan 0.000 0.499 365 V N 1.030 120.925 119.914 -0.032 0.000 2.364 365 V HA 0.150 4.270 4.120 -0.000 0.000 0.272 365 V C 1.234 177.304 176.094 -0.040 0.000 1.036 365 V CA 0.230 62.508 62.300 -0.037 0.000 0.880 365 V CB 0.828 32.632 31.823 -0.032 0.000 0.991 365 V HN 0.492 nan 8.190 nan 0.000 0.460 366 T N 3.159 117.683 114.554 -0.050 0.000 2.851 366 T HA 0.004 4.354 4.350 -0.000 0.000 0.262 366 T C 0.365 175.031 174.700 -0.056 0.000 1.043 366 T CA 1.050 63.118 62.100 -0.053 0.000 1.140 366 T CB 0.000 68.830 68.868 -0.064 0.000 0.872 366 T HN 0.745 nan 8.240 nan 0.000 0.446 367 D N -0.658 119.703 120.400 -0.065 0.000 2.736 367 D HA 0.466 5.106 4.640 -0.000 0.000 0.223 367 D C -1.740 174.520 176.300 -0.067 0.000 1.231 367 D CA -0.465 53.493 54.000 -0.070 0.000 0.818 367 D CB 1.949 42.691 40.800 -0.097 0.000 1.587 367 D HN -0.146 nan 8.370 nan 0.000 0.463 368 V N 3.113 122.997 119.914 -0.050 0.000 2.531 368 V HA 0.711 4.831 4.120 -0.000 0.000 0.301 368 V C -0.526 175.554 176.094 -0.023 0.000 1.034 368 V CA -0.672 61.608 62.300 -0.034 0.000 0.865 368 V CB 1.672 33.487 31.823 -0.014 0.000 0.995 368 V HN 0.660 nan 8.190 nan 0.000 0.424 369 R N 3.210 123.703 120.500 -0.012 0.000 2.626 369 R HA 0.913 5.253 4.340 -0.000 0.000 0.274 369 R C -2.257 174.185 176.300 0.238 0.000 1.031 369 R CA -0.793 55.349 56.100 0.069 0.000 0.898 369 R CB 2.282 32.536 30.300 -0.077 0.000 1.222 369 R HN 0.323 nan 8.270 nan 0.000 0.455 370 V N 1.596 121.694 119.914 0.307 0.000 2.709 370 V HA 0.518 4.637 4.120 -0.000 0.000 0.308 370 V C -1.064 175.051 176.094 0.035 0.000 1.062 370 V CA -0.772 61.656 62.300 0.213 0.000 0.901 370 V CB 1.866 33.735 31.823 0.076 0.000 1.003 370 V HN 0.969 nan 8.190 nan 0.000 0.425 371 C N 4.901 124.045 119.300 -0.260 0.000 2.478 371 C HA 0.746 5.206 4.460 -0.000 0.000 0.334 371 C C 1.042 175.843 174.990 -0.316 0.000 1.106 371 C CA 0.479 59.155 59.018 -0.570 0.000 1.363 371 C CB -0.448 26.422 27.740 -1.449 0.000 1.941 371 C HN 1.636 nan 8.230 nan 0.000 0.436 372 G N 4.500 113.189 108.800 -0.185 0.000 2.596 372 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.295 372 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.295 372 G C 0.689 175.553 174.900 -0.061 0.000 1.240 372 G CA 0.209 45.252 45.100 -0.095 0.000 0.985 372 G HN 2.222 nan 8.290 nan 0.000 0.555 373 A N 0.032 122.833 122.820 -0.032 0.000 3.105 373 A HA 0.649 4.968 4.320 -0.000 0.000 0.272 373 A C 0.364 177.977 177.584 0.048 0.000 1.466 373 A CA 0.240 52.294 52.037 0.029 0.000 1.101 373 A CB -0.689 18.364 19.000 0.089 0.000 1.065 373 A HN 0.779 nan 8.150 nan 0.000 0.643 374 I N 0.031 120.613 120.570 0.019 0.000 2.512 374 I HA 0.508 4.678 4.170 -0.000 0.000 0.287 374 I C 0.257 176.451 176.117 0.128 0.000 1.069 374 I CA -0.554 60.784 61.300 0.062 0.000 1.056 374 I CB 2.369 40.380 38.000 0.017 0.000 1.229 374 I HN 0.287 nan 8.210 nan 0.000 0.429 375 G N 5.299 114.190 108.800 0.151 0.000 2.590 375 G HA2 0.716 4.676 3.960 -0.000 0.000 0.310 375 G HA3 0.716 4.676 3.960 -0.000 0.000 0.310 375 G C -1.327 173.668 174.900 0.159 0.000 1.347 375 G CA -0.493 44.692 45.100 0.142 0.000 0.963 375 G HN 0.310 nan 8.290 nan 0.000 0.494 376 V N 2.979 122.963 119.914 0.116 0.000 2.623 376 V HA 0.463 4.583 4.120 -0.000 0.000 0.304 376 V C -0.470 175.623 176.094 -0.002 0.000 1.054 376 V CA -0.605 61.731 62.300 0.059 0.000 0.882 376 V CB 1.783 33.567 31.823 -0.065 0.000 1.002 376 V HN 0.700 nan 8.190 nan 0.000 0.424 377 I N 3.535 124.105 120.570 0.001 0.000 2.355 377 I HA 0.449 4.619 4.170 -0.000 0.000 0.288 377 I C 0.076 176.156 176.117 -0.061 0.000 0.999 377 I CA -0.242 61.039 61.300 -0.031 0.000 1.163 377 I CB 1.617 39.606 38.000 -0.018 0.000 1.316 377 I HN 0.676 nan 8.210 nan 0.000 0.454 378 E N 5.843 125.989 120.200 -0.089 0.000 2.197 378 E HA 0.436 4.786 4.350 -0.000 0.000 0.281 378 E C -1.232 175.315 176.600 -0.088 0.000 0.995 378 E CA -0.543 55.789 56.400 -0.113 0.000 0.808 378 E CB 1.309 30.923 29.700 -0.143 0.000 1.093 378 E HN 0.643 nan 8.360 nan 0.000 0.394 379 C N 2.508 121.755 119.300 -0.089 0.000 2.407 379 C HA 0.242 4.702 4.460 -0.000 0.000 0.366 379 C C 0.728 175.677 174.990 -0.068 0.000 1.213 379 C CA -0.588 58.388 59.018 -0.069 0.000 2.011 379 C CB 0.944 28.648 27.740 -0.061 0.000 2.306 379 C HN 0.890 nan 8.230 nan 0.000 0.527 380 D N -0.160 120.208 120.400 -0.053 0.000 2.325 380 D HA 0.095 4.735 4.640 -0.000 0.000 0.225 380 D C 0.441 176.715 176.300 -0.043 0.000 1.096 380 D CA 0.041 54.013 54.000 -0.048 0.000 0.844 380 D CB 0.024 40.800 40.800 -0.039 0.000 0.925 380 D HN 0.745 nan 8.370 nan 0.000 0.513 381 R N -2.129 118.343 120.500 -0.047 0.000 2.712 381 R HA 0.502 4.842 4.340 -0.000 0.000 0.272 381 R C -3.374 172.899 176.300 -0.045 0.000 1.032 381 R CA -1.665 54.411 56.100 -0.040 0.000 0.874 381 R CB -0.255 30.027 30.300 -0.030 0.000 1.256 381 R HN -0.288 nan 8.270 nan 0.000 0.468 382 P HA -0.003 nan 4.420 nan 0.000 0.267 382 P C -0.233 177.050 177.300 -0.029 0.000 1.200 382 P CA -0.474 62.606 63.100 -0.033 0.000 0.772 382 P CB 0.532 32.224 31.700 -0.014 0.000 0.855 383 V N -0.836 119.061 119.914 -0.029 0.000 2.465 383 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 383 V C 0.136 176.226 176.094 -0.008 0.000 1.045 383 V CA -0.663 61.624 62.300 -0.022 0.000 0.938 383 V CB 1.083 32.891 31.823 -0.025 0.000 0.986 383 V HN 0.311 nan 8.190 nan 0.000 0.467 384 D N 3.611 124.005 120.400 -0.010 0.000 2.338 384 D HA 0.180 4.820 4.640 -0.000 0.000 0.255 384 D C 0.702 176.997 176.300 -0.009 0.000 1.237 384 D CA -0.169 53.828 54.000 -0.005 0.000 0.883 384 D CB 1.429 42.225 40.800 -0.007 0.000 1.087 384 D HN 0.551 nan 8.370 nan 0.000 0.485 385 L N 4.175 125.397 121.223 -0.001 0.000 2.191 385 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 385 L C 2.256 179.117 176.870 -0.015 0.000 1.103 385 L CA 1.320 56.153 54.840 -0.013 0.000 0.769 385 L CB -0.557 41.505 42.059 0.005 0.000 0.908 385 L HN 0.584 nan 8.230 nan 0.000 0.438 386 A N -2.022 120.795 122.820 -0.005 0.000 2.119 386 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 386 A C 2.182 179.762 177.584 -0.006 0.000 1.153 386 A CA 1.397 53.433 52.037 -0.003 0.000 0.692 386 A CB -0.265 18.735 19.000 0.000 0.000 0.799 386 A HN 0.232 nan 8.150 nan 0.000 0.458 387 V N -1.538 118.369 119.914 -0.012 0.000 2.908 387 V HA 0.069 4.189 4.120 -0.000 0.000 0.240 387 V C 2.802 178.881 176.094 -0.024 0.000 1.117 387 V CA 1.127 63.418 62.300 -0.014 0.000 1.133 387 V CB -0.358 31.457 31.823 -0.013 0.000 0.857 387 V HN 0.499 nan 8.190 nan 0.000 0.478 388 A N 0.339 123.138 122.820 -0.036 0.000 1.873 388 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 388 A C 2.342 179.878 177.584 -0.080 0.000 1.186 388 A CA 2.548 54.551 52.037 -0.057 0.000 0.616 388 A CB -0.938 18.023 19.000 -0.066 0.000 0.823 388 A HN 0.479 nan 8.150 nan 0.000 0.442 389 T N 0.885 115.387 114.554 -0.088 0.000 2.595 389 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 389 T C -0.181 174.506 174.700 -0.023 0.000 1.058 389 T CA 1.798 63.836 62.100 -0.104 0.000 1.166 389 T CB -1.348 67.478 68.868 -0.070 0.000 0.863 389 T HN 0.468 nan 8.240 nan 0.000 0.415 390 P HA -0.006 nan 4.420 nan 0.000 0.218 390 P C 1.375 178.683 177.300 0.014 0.000 1.148 390 P CA 1.353 64.468 63.100 0.024 0.000 0.822 390 P CB -0.221 31.490 31.700 0.018 0.000 0.784 391 A N 0.514 123.331 122.820 -0.005 0.000 1.930 391 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 391 A C 2.438 180.018 177.584 -0.007 0.000 1.175 391 A CA 2.021 54.054 52.037 -0.007 0.000 0.627 391 A CB -1.399 17.591 19.000 -0.016 0.000 0.815 391 A HN 0.242 nan 8.150 nan 0.000 0.443 392 A N -0.735 122.070 122.820 -0.024 0.000 2.016 392 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 392 A C 2.084 179.679 177.584 0.019 0.000 1.162 392 A CA 0.935 52.957 52.037 -0.025 0.000 0.662 392 A CB -0.412 18.539 19.000 -0.081 0.000 0.812 392 A HN 0.435 nan 8.150 nan 0.000 0.450 393 L N -0.382 120.871 121.223 0.049 0.000 2.056 393 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 393 L C 1.698 178.613 176.870 0.076 0.000 1.078 393 L CA 1.240 56.140 54.840 0.099 0.000 0.749 393 L CB -0.501 41.637 42.059 0.131 0.000 0.901 393 L HN 0.264 nan 8.230 nan 0.000 0.433 394 D N 0.014 120.445 120.400 0.052 0.000 2.263 394 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 394 D C 1.837 178.166 176.300 0.047 0.000 0.971 394 D CA 1.033 55.059 54.000 0.044 0.000 0.867 394 D CB -0.051 40.767 40.800 0.030 0.000 0.929 394 D HN 0.241 nan 8.370 nan 0.000 0.492 395 R N -0.667 119.860 120.500 0.046 0.000 2.427 395 R HA 0.240 4.580 4.340 -0.000 0.000 0.262 395 R C 0.869 177.212 176.300 0.070 0.000 0.943 395 R CA 0.302 56.431 56.100 0.048 0.000 1.081 395 R CB 0.596 30.912 30.300 0.026 0.000 1.166 395 R HN 0.067 nan 8.270 nan 0.000 0.534 396 G N 0.953 109.810 108.800 0.095 0.000 2.176 396 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 396 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 396 G C -0.172 174.781 174.900 0.088 0.000 1.024 396 G CA 0.146 45.334 45.100 0.147 0.000 0.755 396 G HN 0.163 nan 8.290 nan 0.000 0.507 397 V N 0.563 120.512 119.914 0.058 0.000 2.638 397 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 397 V C -0.030 176.119 176.094 0.092 0.000 1.052 397 V CA -1.099 61.209 62.300 0.014 0.000 0.885 397 V CB 2.086 33.885 31.823 -0.040 0.000 0.999 397 V HN 0.372 nan 8.190 nan 0.000 0.424 398 W N 7.139 128.381 121.300 -0.096 0.000 2.357 398 W HA 0.641 5.301 4.660 -0.000 0.000 0.317 398 W C -1.881 174.578 176.519 -0.099 0.000 1.101 398 W CA -0.453 56.838 57.345 -0.090 0.000 1.380 398 W CB 0.943 30.344 29.460 -0.099 0.000 1.266 398 W HN 0.439 nan 8.180 nan 0.000 0.419 399 L N 6.817 127.624 121.223 -0.693 0.000 2.386 399 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 399 L C -0.010 176.366 176.870 -0.823 0.000 0.993 399 L CA -0.899 53.570 54.840 -0.619 0.000 0.819 399 L CB 2.612 44.463 42.059 -0.347 0.000 1.294 399 L HN 0.351 nan 8.230 nan 0.000 0.414 400 R N 4.203 124.339 120.500 -0.607 0.000 2.407 400 R HA 0.426 4.766 4.340 -0.000 0.000 0.298 400 R C -2.629 173.631 176.300 -0.066 0.000 1.166 400 R CA -1.462 54.411 56.100 -0.377 0.000 1.006 400 R CB 1.446 31.569 30.300 -0.296 0.000 1.145 400 R HN 0.267 nan 8.270 nan 0.000 0.538 401 P HA 0.134 nan 4.420 nan 0.000 0.272 401 P C -1.089 176.425 177.300 0.357 0.000 1.240 401 P CA -0.080 63.121 63.100 0.167 0.000 0.791 401 P CB 0.384 32.108 31.700 0.040 0.000 0.978 402 F N -1.105 118.971 119.950 0.209 0.000 2.599 402 F HA 0.655 5.183 4.527 0.000 0.000 0.311 402 F C 0.751 176.600 175.800 0.080 0.000 1.076 402 F CA -1.285 56.799 58.000 0.141 0.000 0.937 402 F CB 1.062 40.161 39.000 0.166 0.000 1.282 402 F HN 0.312 nan 8.300 nan 0.000 0.460 403 R N 0.972 121.479 120.500 0.012 0.000 3.614 403 R HA -0.328 4.012 4.340 -0.000 0.000 0.542 403 R C 0.470 176.678 176.300 -0.153 0.000 0.241 403 R CA 1.982 58.021 56.100 -0.102 0.000 1.684 403 R CB -1.529 28.666 30.300 -0.174 0.000 0.889 403 R HN 0.959 nan 8.270 nan 0.000 0.611 404 N N 2.432 120.999 118.700 -0.221 0.000 2.276 404 N HA 0.138 4.878 4.740 -0.000 0.000 0.212 404 N C -0.164 175.232 175.510 -0.190 0.000 1.127 404 N CA 0.250 53.201 53.050 -0.164 0.000 0.834 404 N CB 0.201 38.609 38.487 -0.132 0.000 1.014 404 N HN 0.294 nan 8.380 nan 0.000 0.491 405 L N 0.482 121.543 121.223 -0.269 0.000 2.313 405 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 405 L C -0.571 176.301 176.870 0.004 0.000 1.013 405 L CA -1.122 53.597 54.840 -0.201 0.000 0.816 405 L CB 2.366 44.175 42.059 -0.416 0.000 1.236 405 L HN -0.246 nan 8.230 nan 0.000 0.419 406 V N 3.818 123.756 119.914 0.040 0.000 2.347 406 V HA 0.491 4.611 4.120 -0.000 0.000 0.280 406 V C -0.774 175.407 176.094 0.145 0.000 1.021 406 V CA -0.550 61.790 62.300 0.066 0.000 0.847 406 V CB 0.793 32.613 31.823 -0.005 0.000 0.990 406 V HN 0.664 nan 8.190 nan 0.000 0.444 407 Y N 2.985 123.290 120.300 0.009 0.000 2.625 407 Y HA 0.943 5.493 4.550 -0.000 0.000 0.338 407 Y C -0.616 175.312 175.900 0.047 0.000 1.123 407 Y CA -1.353 56.763 58.100 0.028 0.000 1.046 407 Y CB 1.645 40.135 38.460 0.051 0.000 1.299 407 Y HN 0.702 nan 8.280 nan 0.000 0.464 408 A N 2.698 125.518 122.820 -0.001 0.000 2.475 408 A HA 0.818 5.137 4.320 -0.000 0.000 0.301 408 A C -1.362 176.265 177.584 0.071 0.000 1.059 408 A CA -1.001 50.990 52.037 -0.076 0.000 0.710 408 A CB 1.615 20.588 19.000 -0.044 0.000 1.288 408 A HN 0.873 nan 8.150 nan 0.000 0.408 409 M N 3.329 122.969 119.600 0.066 0.000 2.400 409 M HA 0.256 4.736 4.480 -0.000 0.000 0.241 409 M C -2.747 173.624 176.300 0.118 0.000 1.158 409 M CA -1.357 54.000 55.300 0.095 0.000 0.613 409 M CB 2.041 34.659 32.600 0.030 0.000 1.615 409 M HN 0.469 nan 8.290 nan 0.000 0.371 410 P HA 0.372 nan 4.420 nan 0.000 0.276 410 P C -2.760 174.596 177.300 0.094 0.000 1.244 410 P CA -1.389 61.754 63.100 0.072 0.000 0.801 410 P CB -0.308 31.420 31.700 0.046 0.000 1.006 411 P HA -0.038 nan 4.420 nan 0.000 0.267 411 P C 0.625 178.024 177.300 0.165 0.000 1.201 411 P CA 0.456 63.556 63.100 -0.001 0.000 0.775 411 P CB -0.104 31.599 31.700 0.005 0.000 0.854 412 Y N 1.447 121.772 120.300 0.042 0.000 2.497 412 Y HA -0.044 4.506 4.550 0.000 0.000 0.292 412 Y C 1.858 177.821 175.900 0.105 0.000 1.137 412 Y CA 0.541 58.684 58.100 0.072 0.000 1.285 412 Y CB -1.362 37.146 38.460 0.080 0.000 0.991 412 Y HN 0.310 nan 8.280 nan 0.000 0.556 413 I N -3.766 116.959 120.570 0.260 0.000 3.684 413 I HA 0.133 4.303 4.170 -0.000 0.000 0.304 413 I C 0.354 176.576 176.117 0.174 0.000 1.278 413 I CA -0.406 61.027 61.300 0.222 0.000 1.272 413 I CB -0.837 37.304 38.000 0.234 0.000 1.029 413 I HN -0.143 nan 8.210 nan 0.000 0.458 414 C N 3.382 122.771 119.300 0.147 0.000 2.648 414 C HA 0.234 4.694 4.460 -0.000 0.000 0.415 414 C C 1.608 176.664 174.990 0.109 0.000 1.366 414 C CA -0.048 59.034 59.018 0.107 0.000 1.756 414 C CB -0.398 27.381 27.740 0.065 0.000 2.549 414 C HN 0.623 nan 8.230 nan 0.000 0.597 415 T N 2.640 117.263 114.554 0.115 0.000 2.828 415 T HA 0.192 4.542 4.350 -0.000 0.000 0.290 415 T C -1.658 173.091 174.700 0.081 0.000 1.019 415 T CA -1.167 60.995 62.100 0.103 0.000 1.031 415 T CB 0.630 69.568 68.868 0.118 0.000 1.001 415 T HN 0.413 nan 8.240 nan 0.000 0.531 416 P HA -0.102 nan 4.420 nan 0.000 0.216 416 P C 1.620 178.953 177.300 0.055 0.000 1.150 416 P CA 1.655 64.786 63.100 0.052 0.000 0.843 416 P CB -0.305 31.422 31.700 0.045 0.000 0.787 417 A N -0.348 122.513 122.820 0.070 0.000 1.930 417 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 417 A C 2.119 179.754 177.584 0.086 0.000 1.175 417 A CA 1.551 53.635 52.037 0.078 0.000 0.627 417 A CB -1.083 17.971 19.000 0.091 0.000 0.815 417 A HN 0.186 nan 8.150 nan 0.000 0.443 418 E N -0.350 119.907 120.200 0.095 0.000 2.106 418 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 418 E C 1.751 178.353 176.600 0.004 0.000 0.984 418 E CA 0.834 57.267 56.400 0.055 0.000 0.806 418 E CB -0.125 29.603 29.700 0.048 0.000 0.750 418 E HN 0.502 nan 8.360 nan 0.000 0.458 419 I N 1.064 121.647 120.570 0.022 0.000 2.252 419 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 419 I C 2.203 178.327 176.117 0.012 0.000 1.102 419 I CA 1.409 62.718 61.300 0.014 0.000 1.385 419 I CB -1.303 36.713 38.000 0.027 0.000 1.064 419 I HN 0.103 nan 8.210 nan 0.000 0.414 420 T N 0.290 114.858 114.554 0.023 0.000 2.746 420 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 420 T C 1.859 176.569 174.700 0.018 0.000 1.039 420 T CA 1.431 63.544 62.100 0.022 0.000 1.142 420 T CB -0.192 68.694 68.868 0.029 0.000 0.866 420 T HN 0.382 nan 8.240 nan 0.000 0.444 421 Q N 0.302 120.116 119.800 0.023 0.000 2.084 421 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 421 Q C 2.265 178.259 176.000 -0.010 0.000 0.978 421 Q CA 1.297 57.112 55.803 0.019 0.000 0.844 421 Q CB -0.278 28.485 28.738 0.041 0.000 0.898 421 Q HN 0.521 nan 8.270 nan 0.000 0.426 422 I N 0.668 121.219 120.570 -0.031 0.000 2.142 422 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 422 I C 2.598 178.696 176.117 -0.031 0.000 1.078 422 I CA 1.787 63.058 61.300 -0.048 0.000 1.343 422 I CB -0.581 37.385 38.000 -0.058 0.000 1.046 422 I HN 0.426 nan 8.210 nan 0.000 0.405 423 T N -2.373 112.172 114.554 -0.015 0.000 2.788 423 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 423 T C 2.031 176.726 174.700 -0.008 0.000 1.044 423 T CA 1.483 63.578 62.100 -0.008 0.000 1.139 423 T CB -0.648 68.221 68.868 0.002 0.000 0.867 423 T HN 0.319 nan 8.240 nan 0.000 0.454 424 S N 1.875 117.574 115.700 -0.003 0.000 2.359 424 S HA -0.053 4.416 4.470 -0.000 0.000 0.224 424 S C 2.478 177.073 174.600 -0.007 0.000 1.035 424 S CA 1.450 59.650 58.200 -0.001 0.000 1.018 424 S CB -1.004 62.201 63.200 0.008 0.000 0.876 424 S HN 0.747 nan 8.310 nan 0.000 0.448 425 A N 1.264 124.077 122.820 -0.013 0.000 1.933 425 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 425 A C 2.299 179.863 177.584 -0.033 0.000 1.175 425 A CA 1.672 53.696 52.037 -0.022 0.000 0.628 425 A CB -0.686 18.297 19.000 -0.029 0.000 0.814 425 A HN 0.648 nan 8.150 nan 0.000 0.444 426 M N -0.750 118.828 119.600 -0.036 0.000 2.086 426 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 426 M C 2.107 178.391 176.300 -0.026 0.000 1.067 426 M CA 1.627 56.904 55.300 -0.038 0.000 1.116 426 M CB -0.475 32.106 32.600 -0.031 0.000 1.348 426 M HN 0.255 nan 8.290 nan 0.000 0.407 427 V N 0.333 120.236 119.914 -0.018 0.000 2.392 427 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 427 V C 2.248 178.333 176.094 -0.015 0.000 1.059 427 V CA 2.238 64.530 62.300 -0.014 0.000 1.051 427 V CB -0.852 30.966 31.823 -0.009 0.000 0.658 427 V HN 0.492 nan 8.190 nan 0.000 0.455 428 E N 0.505 120.696 120.200 -0.015 0.000 2.106 428 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 428 E C 1.989 178.578 176.600 -0.019 0.000 0.984 428 E CA 1.541 57.932 56.400 -0.014 0.000 0.806 428 E CB -0.348 29.346 29.700 -0.010 0.000 0.750 428 E HN 0.332 nan 8.360 nan 0.000 0.458 429 V N 0.973 120.871 119.914 -0.027 0.000 2.343 429 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 429 V C 2.415 178.492 176.094 -0.029 0.000 1.051 429 V CA 1.776 64.056 62.300 -0.033 0.000 1.036 429 V CB -0.946 30.848 31.823 -0.048 0.000 0.654 429 V HN 0.482 nan 8.190 nan 0.000 0.451 430 A N -0.211 122.593 122.820 -0.027 0.000 1.933 430 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 430 A C 2.412 179.982 177.584 -0.022 0.000 1.175 430 A CA 1.596 53.617 52.037 -0.026 0.000 0.628 430 A CB -0.529 18.456 19.000 -0.024 0.000 0.814 430 A HN 0.361 nan 8.150 nan 0.000 0.444 431 R N -0.241 120.247 120.500 -0.019 0.000 2.115 431 R HA -0.006 4.334 4.340 -0.000 0.000 0.230 431 R C 1.793 178.083 176.300 -0.015 0.000 1.111 431 R CA 1.283 57.373 56.100 -0.015 0.000 0.976 431 R CB -0.533 29.759 30.300 -0.012 0.000 0.870 431 R HN 0.563 nan 8.270 nan 0.000 0.445 432 L N 0.450 121.663 121.223 -0.017 0.000 2.179 432 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 432 L C 2.478 179.338 176.870 -0.017 0.000 1.096 432 L CA 0.690 55.521 54.840 -0.016 0.000 0.779 432 L CB -0.344 41.705 42.059 -0.016 0.000 0.922 432 L HN 0.010 nan 8.230 nan 0.000 0.443 433 V N -2.462 117.439 119.914 -0.020 0.000 2.490 433 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 433 V C 2.160 178.242 176.094 -0.019 0.000 1.061 433 V CA 2.002 64.290 62.300 -0.021 0.000 1.064 433 V CB -1.472 30.335 31.823 -0.027 0.000 0.670 433 V HN 0.356 nan 8.190 nan 0.000 0.461 434 G N -0.264 108.524 108.800 -0.019 0.000 2.395 434 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 434 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 434 G C 1.046 175.938 174.900 -0.014 0.000 1.177 434 G CA 0.731 45.820 45.100 -0.017 0.000 0.794 434 G HN 0.573 nan 8.290 nan 0.000 0.532 435 S N 0.000 115.692 115.700 -0.013 0.000 2.498 435 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 435 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 435 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 435 S HN 0.000 nan 8.310 nan 0.000 0.517