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 2wd9_1_A DATA FIRST_RESID 37 DATA SEQUENCE HQEVPAKFNF ASDVLDHWAD MEKAGKRPPS PALWWVNGKG KELMWNFREL DATA SEQUENCE SENSQQAANV LSGACGLQRG DRVAVVLPRV PEWWLVILGC IRAGLIFMPG DATA SEQUENCE TIQMKSTDIL YRLQMSKAKA IVAGDEVIQE VDTVASECPS LRIKLLVSEK DATA SEQUENCE SCDGWLNFKK LLNEASTTHH CVETGSQEAS AIYFTSGTSG LPKMAEHSYS DATA SEQUENCE SLGLKAKMDA GWTGLQASDI MWTISDTGWI LNILCSLMEP WALGACTFVH DATA SEQUENCE LLPKFDPLVI LKTLSSYPIK SMMGAPIVYR MLLQQDLSSY KFPHLQNCVT DATA SEQUENCE VGESLLPETL ENWRAQTGLD IRESYGQTET GLTCMVSKTM KIKPGYMGTA DATA SEQUENCE ASCYDVQIID DKGNVLPPGT EGDIGIRVKP IRPIGIFSGY VDNPDKTAAN DATA SEQUENCE IRGDFWLLGD RGIKDEDGYF QFMGRADDII NSSGYRIGPS EVENALMEHP DATA SEQUENCE AVVETAVISS PDPVRGEVVK AFVVLASQFL SHDPEQLTKE LQQHVKSVTA DATA SEQUENCE PYKYPRKIEF VLNLPKTVTG KIQRAKLRDK EWK 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 37 H HA 0.000 nan 4.556 nan 0.000 0.296 37 H C 0.000 175.308 175.328 -0.033 0.000 0.993 37 H CA 0.000 56.028 56.048 -0.033 0.000 1.023 37 H CB 0.000 29.747 29.762 -0.024 0.000 1.292 38 Q N -0.717 119.068 119.800 -0.026 0.000 2.451 38 Q HA 0.564 4.905 4.340 0.002 0.000 0.281 38 Q C -0.317 175.674 176.000 -0.015 0.000 1.099 38 Q CA -0.137 55.652 55.803 -0.022 0.000 0.806 38 Q CB 2.191 30.914 28.738 -0.024 0.000 1.419 38 Q HN 1.017 nan 8.270 nan 0.000 0.427 39 E N 0.709 120.901 120.200 -0.013 0.000 2.663 39 E HA 0.403 4.754 4.350 0.002 0.000 0.240 39 E C -0.057 176.538 176.600 -0.009 0.000 1.227 39 E CA -0.221 56.174 56.400 -0.009 0.000 1.528 39 E CB -0.023 29.672 29.700 -0.008 0.000 1.472 39 E HN 0.392 nan 8.360 nan 0.000 0.433 40 V N -2.460 117.449 119.914 -0.008 0.000 3.096 40 V HA 0.841 4.962 4.120 0.002 0.000 0.319 40 V C -2.050 174.050 176.094 0.011 0.000 1.082 40 V CA -2.006 60.289 62.300 -0.007 0.000 1.022 40 V CB 1.163 32.982 31.823 -0.007 0.000 1.103 40 V HN 0.319 nan 8.190 nan 0.000 0.455 41 P HA 0.328 nan 4.420 nan 0.000 0.272 41 P C 0.686 178.020 177.300 0.057 0.000 1.240 41 P CA 0.129 63.259 63.100 0.049 0.000 0.791 41 P CB 1.016 32.768 31.700 0.087 0.000 0.978 42 A N 1.943 124.791 122.820 0.047 0.000 1.902 42 A HA -0.103 4.219 4.320 0.002 0.000 0.217 42 A C 0.905 178.523 177.584 0.057 0.000 1.181 42 A CA 1.408 53.468 52.037 0.040 0.000 0.623 42 A CB -0.379 18.635 19.000 0.023 0.000 0.818 42 A HN 0.597 nan 8.150 nan 0.000 0.443 43 K N -2.424 118.021 120.400 0.075 0.000 2.426 43 K HA 0.659 4.980 4.320 0.002 0.000 0.251 43 K C -1.833 174.876 176.600 0.181 0.000 0.941 43 K CA -0.468 55.866 56.287 0.078 0.000 0.808 43 K CB 2.329 34.838 32.500 0.014 0.000 1.265 43 K HN 0.203 nan 8.250 nan 0.000 0.432 44 F N 1.329 121.274 119.950 -0.008 0.000 2.672 44 F HA 0.344 4.871 4.527 -0.001 0.000 0.311 44 F C -1.810 174.008 175.800 0.030 0.000 1.113 44 F CA -0.581 57.439 58.000 0.035 0.000 0.996 44 F CB 1.892 40.950 39.000 0.096 0.000 1.286 44 F HN 0.469 nan 8.300 nan 0.000 0.441 45 N N 5.160 123.409 118.700 -0.751 0.000 2.578 45 N HA 0.115 4.857 4.740 0.002 0.000 0.282 45 N C -0.315 174.936 175.510 -0.432 0.000 1.119 45 N CA -0.325 52.533 53.050 -0.320 0.000 0.948 45 N CB 1.214 39.570 38.487 -0.219 0.000 1.546 45 N HN 0.720 nan 8.380 nan 0.000 0.525 46 F N 3.793 123.709 119.950 -0.056 0.000 2.202 46 F HA -0.065 4.464 4.527 0.002 0.000 0.301 46 F C 2.069 177.917 175.800 0.079 0.000 1.082 46 F CA 2.078 60.137 58.000 0.099 0.000 1.313 46 F CB 0.280 39.484 39.000 0.342 0.000 1.024 46 F HN 0.687 nan 8.300 nan 0.000 0.495 47 A N -0.471 122.474 122.820 0.208 0.000 1.873 47 A HA -0.165 4.156 4.320 0.002 0.000 0.215 47 A C 2.348 179.921 177.584 -0.018 0.000 1.186 47 A CA 2.088 54.209 52.037 0.140 0.000 0.616 47 A CB -1.263 17.828 19.000 0.152 0.000 0.823 47 A HN 0.475 nan 8.150 nan 0.000 0.442 48 S N -0.392 115.259 115.700 -0.082 0.000 2.371 48 S HA -0.080 4.391 4.470 0.002 0.000 0.221 48 S C 1.279 175.768 174.600 -0.184 0.000 1.036 48 S CA 1.132 59.268 58.200 -0.107 0.000 0.965 48 S CB -0.399 62.743 63.200 -0.096 0.000 0.845 48 S HN 0.435 nan 8.310 nan 0.000 0.475 49 D N 0.817 121.028 120.400 -0.315 0.000 2.277 49 D HA 0.160 4.801 4.640 0.002 0.000 0.208 49 D C 1.746 177.849 176.300 -0.328 0.000 0.962 49 D CA 0.555 54.346 54.000 -0.349 0.000 0.865 49 D CB 0.335 40.800 40.800 -0.558 0.000 0.939 49 D HN 0.404 nan 8.370 nan 0.000 0.510 50 V N -0.050 119.625 119.914 -0.397 0.000 3.054 50 V HA 0.015 4.137 4.120 0.002 0.000 0.227 50 V C 1.896 177.849 176.094 -0.236 0.000 1.252 50 V CA -0.003 62.049 62.300 -0.414 0.000 1.279 50 V CB -0.115 31.241 31.823 -0.778 0.000 1.118 50 V HN 0.027 nan 8.190 nan 0.000 0.504 51 L N 0.893 122.010 121.223 -0.177 0.000 2.046 51 L HA -0.118 4.224 4.340 0.002 0.000 0.208 51 L C 1.881 178.798 176.870 0.078 0.000 1.077 51 L CA 2.198 57.106 54.840 0.113 0.000 0.747 51 L CB -0.798 41.366 42.059 0.175 0.000 0.896 51 L HN 0.313 nan 8.230 nan 0.000 0.432 52 D N -1.884 118.511 120.400 -0.008 0.000 2.269 52 D HA -0.183 4.459 4.640 0.002 0.000 0.208 52 D C 1.922 178.189 176.300 -0.055 0.000 0.963 52 D CA 1.133 55.126 54.000 -0.012 0.000 0.864 52 D CB -0.077 40.709 40.800 -0.023 0.000 0.936 52 D HN 0.587 nan 8.370 nan 0.000 0.505 53 H N -0.675 118.252 119.070 -0.238 0.000 2.290 53 H HA -0.158 4.401 4.556 0.005 0.000 0.298 53 H C 1.785 176.902 175.328 -0.352 0.000 1.087 53 H CA 1.935 57.759 56.048 -0.373 0.000 1.291 53 H CB -0.475 28.924 29.762 -0.606 0.000 1.369 53 H HN 0.191 nan 8.280 nan 0.000 0.492 54 W N 0.404 121.539 121.300 -0.274 0.000 2.402 54 W HA -0.029 4.635 4.660 0.006 0.000 0.286 54 W C 2.830 179.185 176.519 -0.274 0.000 1.221 54 W CA 0.744 57.822 57.345 -0.444 0.000 1.257 54 W CB -0.191 28.807 29.460 -0.770 0.000 1.120 54 W HN 0.351 nan 8.180 nan 0.000 0.551 55 A N 0.478 123.348 122.820 0.083 0.000 1.855 55 A HA -0.213 4.108 4.320 0.002 0.000 0.215 55 A C 1.703 179.287 177.584 -0.000 0.000 1.191 55 A CA 2.007 54.094 52.037 0.084 0.000 0.613 55 A CB -0.901 18.142 19.000 0.072 0.000 0.829 55 A HN 0.109 nan 8.150 nan 0.000 0.442 56 D N -0.502 119.856 120.400 -0.070 0.000 2.221 56 D HA -0.131 4.510 4.640 0.002 0.000 0.204 56 D C 1.966 178.202 176.300 -0.106 0.000 0.982 56 D CA 0.982 54.931 54.000 -0.086 0.000 0.857 56 D CB -0.245 40.493 40.800 -0.103 0.000 0.934 56 D HN 0.311 nan 8.370 nan 0.000 0.475 57 M N 0.415 119.914 119.600 -0.168 0.000 2.117 57 M HA -0.109 4.373 4.480 0.002 0.000 0.262 57 M C 1.967 178.245 176.300 -0.035 0.000 1.065 57 M CA 1.215 56.436 55.300 -0.132 0.000 1.114 57 M CB -0.648 31.861 32.600 -0.152 0.000 1.361 57 M HN 0.095 nan 8.290 nan 0.000 0.408 58 E N 0.225 120.425 120.200 0.001 0.000 2.028 58 E HA -0.172 4.179 4.350 0.002 0.000 0.191 58 E C 2.077 178.684 176.600 0.013 0.000 0.988 58 E CA 1.066 57.483 56.400 0.028 0.000 0.799 58 E CB -0.114 29.626 29.700 0.067 0.000 0.755 58 E HN 0.474 nan 8.360 nan 0.000 0.447 59 K N 0.563 120.967 120.400 0.006 0.000 2.074 59 K HA -0.148 4.173 4.320 0.002 0.000 0.209 59 K C 2.011 178.608 176.600 -0.005 0.000 1.048 59 K CA 1.336 57.624 56.287 0.001 0.000 0.926 59 K CB -0.153 32.345 32.500 -0.003 0.000 0.713 59 K HN 0.055 nan 8.250 nan 0.000 0.444 60 A N -0.036 122.775 122.820 -0.015 0.000 2.235 60 A HA 0.159 4.481 4.320 0.002 0.000 0.208 60 A C 1.525 179.104 177.584 -0.009 0.000 1.172 60 A CA 0.982 53.009 52.037 -0.016 0.000 0.786 60 A CB -0.383 18.600 19.000 -0.028 0.000 0.804 60 A HN 0.474 nan 8.150 nan 0.000 0.479 61 G N -0.256 108.542 108.800 -0.003 0.000 2.212 61 G HA2 -0.360 3.602 3.960 0.002 0.000 0.266 61 G HA3 -0.360 3.602 3.960 0.002 0.000 0.266 61 G C 1.001 175.904 174.900 0.006 0.000 0.978 61 G CA 0.886 45.988 45.100 0.004 0.000 0.632 61 G HN 0.554 nan 8.290 nan 0.000 0.537 62 K N -0.322 120.079 120.400 0.000 0.000 2.442 62 K HA 0.046 4.368 4.320 0.002 0.000 0.198 62 K C 1.281 177.895 176.600 0.023 0.000 1.044 62 K CA 0.947 57.238 56.287 0.007 0.000 0.948 62 K CB 0.146 32.642 32.500 -0.007 0.000 0.762 62 K HN 0.487 nan 8.250 nan 0.000 0.472 63 R N 0.356 120.872 120.500 0.026 0.000 2.707 63 R HA 0.243 4.584 4.340 0.002 0.000 0.272 63 R C -2.956 173.367 176.300 0.039 0.000 1.011 63 R CA -1.971 54.155 56.100 0.042 0.000 0.893 63 R CB 1.730 32.069 30.300 0.065 0.000 1.233 63 R HN -0.239 nan 8.270 nan 0.000 0.464 64 P HA 0.251 nan 4.420 nan 0.000 0.274 64 P C -2.646 174.686 177.300 0.053 0.000 1.246 64 P CA -1.604 61.517 63.100 0.037 0.000 0.795 64 P CB 0.137 31.855 31.700 0.030 0.000 1.006 65 P HA 0.081 nan 4.420 nan 0.000 0.260 65 P C -0.674 176.670 177.300 0.074 0.000 1.207 65 P CA 0.780 63.918 63.100 0.063 0.000 0.780 65 P CB -0.081 31.636 31.700 0.029 0.000 0.789 66 S N 5.852 121.641 115.700 0.149 0.000 2.501 66 S HA 0.556 5.028 4.470 0.002 0.000 0.301 66 S C -2.531 172.165 174.600 0.160 0.000 1.096 66 S CA -1.696 56.605 58.200 0.168 0.000 1.063 66 S CB 1.009 64.335 63.200 0.210 0.000 1.042 66 S HN 0.225 nan 8.310 nan 0.000 0.494 67 P HA 0.323 nan 4.420 nan 0.000 0.276 67 P C -0.178 177.053 177.300 -0.115 0.000 1.235 67 P CA -0.189 62.898 63.100 -0.022 0.000 0.772 67 P CB 0.859 32.563 31.700 0.005 0.000 0.871 68 A N 3.758 126.340 122.820 -0.396 0.000 1.984 68 A HA 0.262 4.583 4.320 0.002 0.000 0.203 68 A C 0.206 177.826 177.584 0.061 0.000 1.292 68 A CA 0.828 52.414 52.037 -0.751 0.000 0.782 68 A CB -0.170 17.811 19.000 -1.698 0.000 0.924 68 A HN 0.481 nan 8.150 nan 0.000 0.475 69 L N -0.926 120.373 121.223 0.128 0.000 2.439 69 L HA 0.637 4.978 4.340 0.002 0.000 0.270 69 L C -2.051 175.008 176.870 0.315 0.000 0.972 69 L CA -0.521 54.485 54.840 0.275 0.000 0.836 69 L CB 1.827 44.053 42.059 0.279 0.000 1.255 69 L HN 0.338 nan 8.230 nan 0.000 0.404 70 W N 6.709 128.005 121.300 -0.005 0.000 2.362 70 W HA 0.418 5.079 4.660 0.002 0.000 0.316 70 W C -1.835 174.460 176.519 -0.372 0.000 1.024 70 W CA -1.680 55.605 57.345 -0.101 0.000 1.270 70 W CB 1.302 30.750 29.460 -0.021 0.000 1.273 70 W HN 0.689 nan 8.180 nan 0.000 0.424 71 W N 8.222 129.497 121.300 -0.041 0.000 2.606 71 W HA 0.610 5.271 4.660 0.002 0.000 0.332 71 W C -1.060 175.245 176.519 -0.357 0.000 1.052 71 W CA -0.694 56.445 57.345 -0.343 0.000 1.223 71 W CB 1.323 30.705 29.460 -0.131 0.000 1.383 71 W HN 0.303 nan 8.180 nan 0.000 0.524 72 V N 4.201 123.159 119.914 -1.593 0.000 2.971 72 V HA 0.511 4.632 4.120 0.002 0.000 0.309 72 V C -0.227 174.684 176.094 -1.972 0.000 1.130 72 V CA -0.663 60.717 62.300 -1.534 0.000 0.964 72 V CB 2.042 33.266 31.823 -0.998 0.000 1.029 72 V HN 0.804 nan 8.190 nan 0.000 0.427 73 N N 1.482 119.308 118.700 -1.456 0.000 2.220 73 N HA 0.287 5.029 4.740 0.002 0.000 0.195 73 N C 1.264 176.449 175.510 -0.541 0.000 1.123 73 N CA 0.948 53.446 53.050 -0.920 0.000 0.874 73 N CB 1.023 39.229 38.487 -0.467 0.000 0.995 73 N HN 2.126 nan 8.380 nan 0.000 0.498 74 G N 0.571 109.057 108.800 -0.523 0.000 2.176 74 G HA2 -0.295 3.666 3.960 0.002 0.000 0.253 74 G HA3 -0.295 3.666 3.960 0.002 0.000 0.253 74 G C 0.407 175.275 174.900 -0.053 0.000 0.979 74 G CA 0.431 45.460 45.100 -0.119 0.000 0.641 74 G HN 0.462 nan 8.290 nan 0.000 0.530 75 K N -0.154 120.190 120.400 -0.094 0.000 2.618 75 K HA 0.472 4.793 4.320 0.002 0.000 0.207 75 K C 1.548 178.128 176.600 -0.032 0.000 1.058 75 K CA 0.300 56.565 56.287 -0.036 0.000 1.086 75 K CB 0.603 33.094 32.500 -0.015 0.000 0.827 75 K HN 1.186 nan 8.250 nan 0.000 0.481 76 G N 1.760 110.532 108.800 -0.047 0.000 2.175 76 G HA2 -0.293 3.669 3.960 0.002 0.000 0.244 76 G HA3 -0.293 3.669 3.960 0.002 0.000 0.244 76 G C -0.055 174.831 174.900 -0.024 0.000 0.982 76 G CA 0.083 45.170 45.100 -0.021 0.000 0.641 76 G HN 0.259 nan 8.290 nan 0.000 0.527 77 K N 1.219 121.583 120.400 -0.061 0.000 2.183 77 K HA 0.670 4.992 4.320 0.002 0.000 0.274 77 K C -0.009 176.534 176.600 -0.095 0.000 1.009 77 K CA -0.377 55.898 56.287 -0.020 0.000 0.888 77 K CB 0.677 33.212 32.500 0.059 0.000 1.078 77 K HN 0.354 nan 8.250 nan 0.000 0.459 78 E N 3.475 123.690 120.200 0.025 0.000 2.383 78 E HA 0.494 4.845 4.350 0.002 0.000 0.275 78 E C -1.273 175.402 176.600 0.125 0.000 0.918 78 E CA -0.939 55.500 56.400 0.065 0.000 0.764 78 E CB 2.042 31.837 29.700 0.158 0.000 1.252 78 E HN 0.334 nan 8.360 nan 0.000 0.449 79 L N 1.963 123.288 121.223 0.170 0.000 2.466 79 L HA 0.603 4.945 4.340 0.002 0.000 0.258 79 L C -1.218 175.543 176.870 -0.182 0.000 0.973 79 L CA -0.650 54.141 54.840 -0.082 0.000 0.826 79 L CB 2.432 44.430 42.059 -0.101 0.000 1.372 79 L HN 0.447 nan 8.230 nan 0.000 0.409 80 M N 2.396 121.702 119.600 -0.490 0.000 2.365 80 M HA 0.406 4.887 4.480 0.002 0.000 0.287 80 M C -2.457 173.581 176.300 -0.437 0.000 1.154 80 M CA -0.230 54.858 55.300 -0.354 0.000 0.941 80 M CB 2.788 35.127 32.600 -0.435 0.000 1.704 80 M HN 0.564 nan 8.290 nan 0.000 0.479 81 W N 4.008 125.231 121.300 -0.129 0.000 2.656 81 W HA 0.294 4.956 4.660 0.003 0.000 0.327 81 W C -0.112 176.277 176.519 -0.216 0.000 1.041 81 W CA -0.567 56.688 57.345 -0.150 0.000 1.229 81 W CB 1.937 31.309 29.460 -0.146 0.000 1.397 81 W HN 0.745 nan 8.180 nan 0.000 0.479 82 N N 0.255 118.967 118.700 0.020 0.000 2.364 82 N HA 0.186 4.927 4.740 0.002 0.000 0.264 82 N C 0.513 175.963 175.510 -0.101 0.000 1.263 82 N CA -0.235 52.785 53.050 -0.048 0.000 0.959 82 N CB 0.291 38.793 38.487 0.026 0.000 1.204 82 N HN 0.187 nan 8.380 nan 0.000 0.550 83 F N -1.171 118.766 119.950 -0.020 0.000 2.171 83 F HA 0.041 4.571 4.527 0.004 0.000 0.300 83 F C 2.645 178.422 175.800 -0.039 0.000 1.090 83 F CA 1.235 59.194 58.000 -0.068 0.000 1.293 83 F CB -0.272 38.714 39.000 -0.024 0.000 1.013 83 F HN 0.525 nan 8.300 nan 0.000 0.486 84 R N 0.840 121.437 120.500 0.162 0.000 2.080 84 R HA -0.195 4.147 4.340 0.002 0.000 0.236 84 R C 2.049 178.388 176.300 0.065 0.000 1.137 84 R CA 2.111 58.267 56.100 0.093 0.000 0.943 84 R CB -0.356 29.988 30.300 0.074 0.000 0.846 84 R HN 0.294 nan 8.270 nan 0.000 0.431 85 E N 0.364 120.616 120.200 0.088 0.000 2.085 85 E HA -0.241 4.110 4.350 0.002 0.000 0.194 85 E C 1.981 178.643 176.600 0.104 0.000 0.994 85 E CA 1.396 57.889 56.400 0.155 0.000 0.801 85 E CB -0.219 29.643 29.700 0.270 0.000 0.743 85 E HN 0.210 nan 8.360 nan 0.000 0.453 86 L N 0.832 122.044 121.223 -0.018 0.000 2.042 86 L HA -0.205 4.137 4.340 0.002 0.000 0.210 86 L C 2.350 179.113 176.870 -0.179 0.000 1.076 86 L CA 1.863 56.548 54.840 -0.258 0.000 0.749 86 L CB -0.720 41.078 42.059 -0.436 0.000 0.893 86 L HN 0.007 nan 8.230 nan 0.000 0.432 87 S N -0.927 114.728 115.700 -0.076 0.000 2.348 87 S HA -0.207 4.264 4.470 0.002 0.000 0.221 87 S C 1.892 176.476 174.600 -0.028 0.000 1.033 87 S CA 1.546 59.726 58.200 -0.033 0.000 1.010 87 S CB -0.267 62.941 63.200 0.012 0.000 0.891 87 S HN 0.623 nan 8.310 nan 0.000 0.442 88 E N 0.647 120.842 120.200 -0.007 0.000 2.038 88 E HA -0.162 4.189 4.350 0.002 0.000 0.195 88 E C 2.136 178.729 176.600 -0.011 0.000 1.000 88 E CA 1.323 57.724 56.400 0.001 0.000 0.803 88 E CB -0.267 29.447 29.700 0.023 0.000 0.750 88 E HN 0.419 nan 8.360 nan 0.000 0.448 89 N N 0.294 118.985 118.700 -0.014 0.000 2.149 89 N HA -0.137 4.604 4.740 0.002 0.000 0.188 89 N C 1.779 177.244 175.510 -0.075 0.000 1.019 89 N CA 1.549 54.581 53.050 -0.031 0.000 0.857 89 N CB -0.083 38.377 38.487 -0.045 0.000 0.997 89 N HN 0.119 nan 8.380 nan 0.000 0.426 90 S N -0.996 114.645 115.700 -0.098 0.000 2.461 90 S HA -0.003 4.468 4.470 0.002 0.000 0.228 90 S C 1.765 176.321 174.600 -0.074 0.000 1.005 90 S CA 0.390 58.542 58.200 -0.081 0.000 0.942 90 S CB -0.149 63.005 63.200 -0.077 0.000 0.776 90 S HN 0.328 nan 8.310 nan 0.000 0.514 91 Q N 1.051 120.818 119.800 -0.055 0.000 2.049 91 Q HA -0.040 4.301 4.340 0.002 0.000 0.198 91 Q C 2.484 178.447 176.000 -0.062 0.000 0.971 91 Q CA 1.396 57.171 55.803 -0.046 0.000 0.833 91 Q CB -0.284 28.462 28.738 0.013 0.000 0.896 91 Q HN 0.662 nan 8.270 nan 0.000 0.434 92 Q N 0.301 120.072 119.800 -0.049 0.000 2.133 92 Q HA -0.265 4.076 4.340 0.002 0.000 0.208 92 Q C 2.124 178.066 176.000 -0.096 0.000 0.991 92 Q CA 1.598 57.362 55.803 -0.065 0.000 0.867 92 Q CB -0.342 28.358 28.738 -0.064 0.000 0.911 92 Q HN 0.401 nan 8.270 nan 0.000 0.417 93 A N 0.953 123.726 122.820 -0.078 0.000 1.883 93 A HA -0.188 4.133 4.320 0.002 0.000 0.217 93 A C 2.290 179.836 177.584 -0.065 0.000 1.186 93 A CA 1.856 53.877 52.037 -0.027 0.000 0.624 93 A CB -0.893 18.133 19.000 0.043 0.000 0.822 93 A HN 0.443 nan 8.150 nan 0.000 0.444 94 A N -0.224 122.491 122.820 -0.175 0.000 1.969 94 A HA -0.141 4.180 4.320 0.002 0.000 0.218 94 A C 1.928 179.375 177.584 -0.230 0.000 1.169 94 A CA 1.500 53.343 52.037 -0.323 0.000 0.635 94 A CB -0.562 17.965 19.000 -0.787 0.000 0.810 94 A HN 0.564 nan 8.150 nan 0.000 0.445 95 N N 0.351 118.978 118.700 -0.123 0.000 2.120 95 N HA -0.126 4.616 4.740 0.002 0.000 0.188 95 N C 1.743 177.244 175.510 -0.015 0.000 1.024 95 N CA 1.628 54.687 53.050 0.016 0.000 0.852 95 N CB -0.465 38.039 38.487 0.027 0.000 1.003 95 N HN 0.265 nan 8.380 nan 0.000 0.424 96 V N 1.767 121.645 119.914 -0.059 0.000 2.407 96 V HA -0.175 3.947 4.120 0.002 0.000 0.248 96 V C 2.379 178.472 176.094 -0.001 0.000 1.055 96 V CA 1.245 63.505 62.300 -0.066 0.000 1.049 96 V CB -0.420 31.295 31.823 -0.179 0.000 0.662 96 V HN 0.210 nan 8.190 nan 0.000 0.455 97 L N 0.354 121.587 121.223 0.017 0.000 2.068 97 L HA -0.072 4.269 4.340 0.002 0.000 0.204 97 L C 2.525 179.416 176.870 0.035 0.000 1.076 97 L CA 1.772 56.636 54.840 0.041 0.000 0.753 97 L CB -0.476 41.604 42.059 0.035 0.000 0.910 97 L HN 0.519 nan 8.230 nan 0.000 0.439 98 S N -1.315 114.406 115.700 0.035 0.000 2.492 98 S HA 0.116 4.588 4.470 0.002 0.000 0.218 98 S C 1.594 176.230 174.600 0.060 0.000 1.016 98 S CA 0.244 58.481 58.200 0.062 0.000 0.916 98 S CB 0.111 63.379 63.200 0.113 0.000 0.791 98 S HN 0.327 nan 8.310 nan 0.000 0.513 99 G N 1.703 110.533 108.800 0.049 0.000 2.618 99 G HA2 0.415 4.376 3.960 0.002 0.000 0.222 99 G HA3 0.415 4.376 3.960 0.002 0.000 0.222 99 G C 1.639 176.551 174.900 0.020 0.000 1.520 99 G CA 0.267 45.389 45.100 0.037 0.000 0.930 99 G HN 0.611 nan 8.290 nan 0.000 0.547 100 A N -0.456 122.369 122.820 0.008 0.000 1.948 100 A HA -0.131 4.191 4.320 0.002 0.000 0.220 100 A C 2.300 179.890 177.584 0.011 0.000 1.177 100 A CA 2.194 54.232 52.037 0.002 0.000 0.636 100 A CB -0.903 18.088 19.000 -0.014 0.000 0.815 100 A HN 0.445 nan 8.150 nan 0.000 0.449 101 C N -1.928 117.383 119.300 0.019 0.000 2.780 101 C HA 0.477 4.939 4.460 0.002 0.000 0.267 101 C C 1.922 176.923 174.990 0.020 0.000 1.266 101 C CA -0.158 58.873 59.018 0.022 0.000 1.709 101 C CB -0.868 26.892 27.740 0.035 0.000 1.975 101 C HN 1.104 nan 8.230 nan 0.000 0.582 102 G N 1.647 110.461 108.800 0.024 0.000 2.258 102 G HA2 -0.270 3.691 3.960 0.002 0.000 0.274 102 G HA3 -0.270 3.691 3.960 0.002 0.000 0.274 102 G C -0.017 174.899 174.900 0.027 0.000 1.021 102 G CA 0.060 45.175 45.100 0.025 0.000 0.798 102 G HN 0.590 nan 8.290 nan 0.000 0.507 103 L N -0.251 120.992 121.223 0.032 0.000 2.439 103 L HA 0.360 4.702 4.340 0.002 0.000 0.269 103 L C 0.706 177.602 176.870 0.044 0.000 1.179 103 L CA -0.221 54.639 54.840 0.034 0.000 0.828 103 L CB 0.677 42.758 42.059 0.036 0.000 1.106 103 L HN 0.168 nan 8.230 nan 0.000 0.467 104 Q N 2.198 122.022 119.800 0.041 0.000 2.301 104 Q HA 0.343 4.684 4.340 0.002 0.000 0.267 104 Q C -0.570 175.462 176.000 0.054 0.000 1.035 104 Q CA -0.992 54.838 55.803 0.045 0.000 0.856 104 Q CB 1.876 30.634 28.738 0.033 0.000 1.337 104 Q HN 0.417 nan 8.270 nan 0.000 0.450 105 R N -0.181 120.355 120.500 0.061 0.000 2.523 105 R HA 0.068 4.410 4.340 0.002 0.000 0.281 105 R C 0.838 177.176 176.300 0.064 0.000 0.969 105 R CA 1.797 57.941 56.100 0.073 0.000 1.093 105 R CB -0.301 30.038 30.300 0.063 0.000 0.917 105 R HN 0.930 nan 8.270 nan 0.000 0.408 106 G N 2.885 111.732 108.800 0.078 0.000 2.217 106 G HA2 -0.244 3.717 3.960 0.002 0.000 0.246 106 G HA3 -0.244 3.717 3.960 0.002 0.000 0.246 106 G C -0.332 174.591 174.900 0.039 0.000 0.990 106 G CA 0.206 45.340 45.100 0.058 0.000 0.627 106 G HN 0.678 nan 8.290 nan 0.000 0.522 107 D N 0.876 121.300 120.400 0.041 0.000 2.414 107 D HA 0.447 5.088 4.640 0.002 0.000 0.242 107 D C 0.978 177.295 176.300 0.028 0.000 1.129 107 D CA 0.147 54.164 54.000 0.029 0.000 0.885 107 D CB 0.488 41.306 40.800 0.030 0.000 1.198 107 D HN 0.388 nan 8.370 nan 0.000 0.437 108 R N 0.864 121.375 120.500 0.018 0.000 2.265 108 R HA 0.468 4.810 4.340 0.002 0.000 0.319 108 R C -0.807 175.508 176.300 0.024 0.000 1.006 108 R CA -0.679 55.429 56.100 0.014 0.000 0.880 108 R CB 1.268 31.574 30.300 0.009 0.000 1.077 108 R HN 0.113 nan 8.270 nan 0.000 0.454 109 V N 3.147 123.079 119.914 0.029 0.000 2.326 109 V HA 0.341 4.462 4.120 0.002 0.000 0.281 109 V C 0.129 176.243 176.094 0.034 0.000 1.015 109 V CA -0.906 61.412 62.300 0.031 0.000 0.823 109 V CB 1.438 33.279 31.823 0.030 0.000 1.009 109 V HN 0.924 nan 8.190 nan 0.000 0.436 110 A N 5.099 127.942 122.820 0.039 0.000 2.440 110 A HA 0.625 4.946 4.320 0.002 0.000 0.251 110 A C -0.271 177.333 177.584 0.033 0.000 1.089 110 A CA -0.064 52.004 52.037 0.050 0.000 0.779 110 A CB 0.484 19.519 19.000 0.058 0.000 1.022 110 A HN 0.739 nan 8.150 nan 0.000 0.492 111 V N 3.582 123.516 119.914 0.034 0.000 2.443 111 V HA 0.394 4.515 4.120 0.002 0.000 0.293 111 V C -0.617 175.535 176.094 0.096 0.000 1.021 111 V CA -0.364 61.943 62.300 0.011 0.000 0.848 111 V CB 1.628 33.384 31.823 -0.112 0.000 0.998 111 V HN 0.630 nan 8.190 nan 0.000 0.424 112 V N 7.027 126.996 119.914 0.093 0.000 2.380 112 V HA 0.512 4.634 4.120 0.002 0.000 0.268 112 V C -0.409 175.737 176.094 0.087 0.000 1.008 112 V CA -0.165 62.196 62.300 0.103 0.000 0.823 112 V CB 0.992 32.864 31.823 0.083 0.000 1.053 112 V HN 0.647 nan 8.190 nan 0.000 0.446 113 L N 5.615 126.918 121.223 0.134 0.000 2.371 113 L HA 0.674 5.016 4.340 0.002 0.000 0.262 113 L C -2.274 174.622 176.870 0.043 0.000 1.006 113 L CA -1.842 53.061 54.840 0.106 0.000 0.818 113 L CB 3.512 45.681 42.059 0.184 0.000 1.354 113 L HN 0.295 nan 8.230 nan 0.000 0.415 114 P HA 0.142 nan 4.420 nan 0.000 0.297 114 P C -0.810 176.523 177.300 0.056 0.000 1.303 114 P CA -0.570 62.547 63.100 0.028 0.000 0.753 114 P CB 0.508 32.246 31.700 0.064 0.000 1.281 115 R N 0.016 120.584 120.500 0.114 0.000 3.247 115 R HA 0.259 4.601 4.340 0.002 0.000 0.212 115 R C -0.032 176.514 176.300 0.410 0.000 1.604 115 R CA -0.143 56.113 56.100 0.261 0.000 1.279 115 R CB -0.972 29.466 30.300 0.231 0.000 1.277 115 R HN 0.291 nan 8.270 nan 0.000 0.669 116 V N -0.950 119.147 119.914 0.306 0.000 2.962 116 V HA 0.446 4.568 4.120 0.002 0.000 0.313 116 V C -2.387 173.723 176.094 0.027 0.000 1.099 116 V CA -2.491 59.795 62.300 -0.023 0.000 0.971 116 V CB 2.459 34.233 31.823 -0.083 0.000 1.028 116 V HN 0.171 nan 8.190 nan 0.000 0.430 117 P HA -0.067 nan 4.420 nan 0.000 0.219 117 P C 1.205 178.567 177.300 0.103 0.000 1.146 117 P CA 1.380 64.425 63.100 -0.091 0.000 0.808 117 P CB 0.264 31.906 31.700 -0.098 0.000 0.779 118 E N -1.840 118.386 120.200 0.042 0.000 2.209 118 E HA -0.200 4.151 4.350 0.002 0.000 0.196 118 E C 1.635 178.247 176.600 0.019 0.000 0.993 118 E CA 0.938 57.345 56.400 0.011 0.000 0.819 118 E CB -0.876 28.770 29.700 -0.089 0.000 0.745 118 E HN 0.358 nan 8.360 nan 0.000 0.477 119 W N 0.023 121.306 121.300 -0.029 0.000 2.335 119 W HA -0.184 4.477 4.660 0.002 0.000 0.311 119 W C 1.616 178.039 176.519 -0.160 0.000 1.213 119 W CA 1.525 58.779 57.345 -0.152 0.000 1.274 119 W CB -0.229 29.072 29.460 -0.265 0.000 1.148 119 W HN 0.116 nan 8.180 nan 0.000 0.498 120 W N -0.117 121.325 121.300 0.237 0.000 2.388 120 W HA -0.140 4.521 4.660 0.002 0.000 0.294 120 W C 2.072 178.548 176.519 -0.072 0.000 1.212 120 W CA 0.955 58.392 57.345 0.152 0.000 1.271 120 W CB -1.006 28.612 29.460 0.264 0.000 1.126 120 W HN -0.029 nan 8.180 nan 0.000 0.535 121 L N -0.455 120.827 121.223 0.098 0.000 2.027 121 L HA -0.227 4.115 4.340 0.002 0.000 0.206 121 L C 2.322 179.140 176.870 -0.087 0.000 1.074 121 L CA 0.909 55.733 54.840 -0.026 0.000 0.745 121 L CB -1.412 40.627 42.059 -0.032 0.000 0.898 121 L HN -0.244 nan 8.230 nan 0.000 0.433 122 V N 0.082 119.881 119.914 -0.191 0.000 2.332 122 V HA -0.295 3.826 4.120 0.002 0.000 0.248 122 V C 2.459 178.313 176.094 -0.399 0.000 1.055 122 V CA 1.462 63.595 62.300 -0.278 0.000 1.038 122 V CB -0.373 31.192 31.823 -0.430 0.000 0.651 122 V HN 0.283 nan 8.190 nan 0.000 0.450 123 I N -0.489 119.684 120.570 -0.663 0.000 2.179 123 I HA -0.207 3.964 4.170 0.002 0.000 0.242 123 I C 2.379 178.189 176.117 -0.512 0.000 1.088 123 I CA 1.703 62.466 61.300 -0.894 0.000 1.357 123 I CB -1.086 36.092 38.000 -1.371 0.000 1.051 123 I HN 0.275 nan 8.210 nan 0.000 0.409 124 L N 0.420 121.492 121.223 -0.252 0.000 2.083 124 L HA -0.152 4.189 4.340 0.002 0.000 0.209 124 L C 2.638 179.469 176.870 -0.066 0.000 1.083 124 L CA 1.503 56.311 54.840 -0.054 0.000 0.752 124 L CB -1.077 41.019 42.059 0.062 0.000 0.899 124 L HN 0.299 nan 8.230 nan 0.000 0.433 125 G N -0.884 107.851 108.800 -0.108 0.000 2.440 125 G HA2 -0.256 3.706 3.960 0.002 0.000 0.218 125 G HA3 -0.256 3.706 3.960 0.002 0.000 0.218 125 G C 1.635 176.484 174.900 -0.085 0.000 1.154 125 G CA 0.954 45.990 45.100 -0.106 0.000 0.767 125 G HN 0.395 nan 8.290 nan 0.000 0.552 126 C N 0.300 119.552 119.300 -0.080 0.000 2.432 126 C HA 0.039 4.501 4.460 0.002 0.000 0.277 126 C C 2.850 177.916 174.990 0.126 0.000 1.249 126 C CA 0.530 59.558 59.018 0.017 0.000 1.725 126 C CB -0.980 26.776 27.740 0.027 0.000 2.028 126 C HN 0.482 nan 8.230 nan 0.000 0.477 127 I N 0.388 121.035 120.570 0.129 0.000 2.264 127 I HA -0.234 3.937 4.170 0.002 0.000 0.248 127 I C 2.773 179.044 176.117 0.257 0.000 1.111 127 I CA 1.547 63.036 61.300 0.314 0.000 1.382 127 I CB -0.465 37.708 38.000 0.288 0.000 1.060 127 I HN 0.359 nan 8.210 nan 0.000 0.418 128 R N 0.581 121.152 120.500 0.118 0.000 2.075 128 R HA -0.033 4.308 4.340 0.002 0.000 0.232 128 R C 2.154 178.539 176.300 0.142 0.000 1.126 128 R CA 1.399 57.553 56.100 0.090 0.000 0.963 128 R CB -0.333 29.941 30.300 -0.044 0.000 0.858 128 R HN 0.310 nan 8.270 nan 0.000 0.435 129 A N 0.098 122.954 122.820 0.061 0.000 2.238 129 A HA 0.218 4.539 4.320 0.002 0.000 0.208 129 A C 1.208 178.881 177.584 0.148 0.000 1.177 129 A CA 0.628 52.738 52.037 0.122 0.000 0.804 129 A CB -0.135 18.887 19.000 0.037 0.000 0.823 129 A HN 0.459 nan 8.150 nan 0.000 0.482 130 G N -0.701 108.210 108.800 0.185 0.000 2.176 130 G HA2 -0.214 3.747 3.960 0.002 0.000 0.252 130 G HA3 -0.214 3.747 3.960 0.002 0.000 0.252 130 G C -0.061 174.977 174.900 0.229 0.000 1.024 130 G CA 0.440 45.679 45.100 0.232 0.000 0.755 130 G HN 0.479 nan 8.290 nan 0.000 0.507 131 L N 0.035 121.379 121.223 0.201 0.000 2.307 131 L HA 0.556 4.898 4.340 0.002 0.000 0.282 131 L C 1.005 177.962 176.870 0.144 0.000 1.051 131 L CA -1.103 53.821 54.840 0.140 0.000 0.804 131 L CB 1.414 43.533 42.059 0.100 0.000 1.197 131 L HN 0.024 nan 8.230 nan 0.000 0.431 132 I N 3.537 124.147 120.570 0.067 0.000 2.379 132 I HA 0.106 4.277 4.170 0.002 0.000 0.290 132 I C -0.059 176.047 176.117 -0.017 0.000 1.063 132 I CA -0.236 61.043 61.300 -0.034 0.000 1.351 132 I CB 0.105 38.058 38.000 -0.078 0.000 1.410 132 I HN 0.366 nan 8.210 nan 0.000 0.505 133 F N 5.772 125.652 119.950 -0.117 0.000 2.385 133 F HA 0.724 5.252 4.527 0.001 0.000 0.336 133 F C -0.279 175.403 175.800 -0.197 0.000 1.100 133 F CA -1.038 56.865 58.000 -0.163 0.000 1.116 133 F CB 0.695 39.558 39.000 -0.229 0.000 1.166 133 F HN 0.237 nan 8.300 nan 0.000 0.511 134 M N 4.674 124.256 119.600 -0.031 0.000 1.960 134 M HA 0.340 4.821 4.480 0.002 0.000 0.271 134 M C -2.858 173.428 176.300 -0.023 0.000 0.862 134 M CA -1.574 53.667 55.300 -0.097 0.000 0.854 134 M CB 1.391 34.019 32.600 0.046 0.000 1.575 134 M HN 0.326 nan 8.290 nan 0.000 0.375 135 P HA 0.503 nan 4.420 nan 0.000 0.277 135 P C -0.086 177.299 177.300 0.142 0.000 1.240 135 P CA -0.093 63.061 63.100 0.090 0.000 0.798 135 P CB 1.202 33.042 31.700 0.234 0.000 0.979 136 G N -0.397 108.506 108.800 0.171 0.000 2.704 136 G HA2 0.474 4.436 3.960 0.002 0.000 0.293 136 G HA3 0.474 4.436 3.960 0.002 0.000 0.293 136 G C -1.268 173.710 174.900 0.130 0.000 1.421 136 G CA -0.446 44.752 45.100 0.163 0.000 0.870 136 G HN 0.464 nan 8.290 nan 0.000 0.492 137 T N -0.011 114.619 114.554 0.127 0.000 2.913 137 T HA 0.258 4.609 4.350 0.002 0.000 0.297 137 T C 2.029 176.773 174.700 0.073 0.000 1.029 137 T CA 0.033 62.179 62.100 0.076 0.000 1.104 137 T CB 0.300 69.233 68.868 0.108 0.000 0.964 137 T HN 0.729 nan 8.240 nan 0.000 0.532 138 I N 2.324 122.918 120.570 0.040 0.000 2.916 138 I HA -0.026 4.146 4.170 0.002 0.000 0.267 138 I C 2.045 178.189 176.117 0.045 0.000 1.263 138 I CA 0.876 62.199 61.300 0.038 0.000 1.471 138 I CB -0.446 37.567 38.000 0.022 0.000 1.089 138 I HN 0.632 nan 8.210 nan 0.000 0.468 139 Q N 0.911 120.750 119.800 0.066 0.000 2.437 139 Q HA 0.090 4.432 4.340 0.002 0.000 0.210 139 Q C 0.736 176.770 176.000 0.058 0.000 0.972 139 Q CA 0.444 56.288 55.803 0.067 0.000 0.903 139 Q CB -0.106 28.702 28.738 0.117 0.000 0.967 139 Q HN 0.584 nan 8.270 nan 0.000 0.486 140 M N 1.368 121.010 119.600 0.070 0.000 2.249 140 M HA 0.014 4.495 4.480 0.002 0.000 0.340 140 M C 0.280 176.594 176.300 0.024 0.000 1.166 140 M CA 0.635 55.967 55.300 0.053 0.000 1.115 140 M CB 0.468 33.104 32.600 0.060 0.000 1.606 140 M HN -0.132 nan 8.290 nan 0.000 0.448 141 K N 0.920 121.323 120.400 0.004 0.000 2.240 141 K HA 0.313 4.634 4.320 0.002 0.000 0.237 141 K C 1.179 177.785 176.600 0.010 0.000 1.027 141 K CA -0.135 56.151 56.287 -0.002 0.000 0.937 141 K CB 0.728 33.213 32.500 -0.026 0.000 1.171 141 K HN 0.736 nan 8.250 nan 0.000 0.479 142 S N -0.609 115.100 115.700 0.015 0.000 2.383 142 S HA -0.127 4.345 4.470 0.002 0.000 0.227 142 S C 1.768 176.385 174.600 0.029 0.000 1.026 142 S CA 1.710 59.927 58.200 0.029 0.000 0.981 142 S CB -0.510 62.709 63.200 0.032 0.000 0.818 142 S HN 0.559 nan 8.310 nan 0.000 0.472 143 T N 2.484 117.049 114.554 0.019 0.000 2.788 143 T HA -0.079 4.273 4.350 0.002 0.000 0.268 143 T C 1.375 176.096 174.700 0.035 0.000 1.044 143 T CA 1.501 63.617 62.100 0.027 0.000 1.139 143 T CB -0.589 68.284 68.868 0.009 0.000 0.867 143 T HN 0.442 nan 8.240 nan 0.000 0.454 144 D N 1.164 121.569 120.400 0.009 0.000 2.104 144 D HA -0.041 4.600 4.640 0.002 0.000 0.194 144 D C 2.086 178.401 176.300 0.024 0.000 0.994 144 D CA 0.927 54.929 54.000 0.004 0.000 0.830 144 D CB -0.304 40.491 40.800 -0.007 0.000 0.959 144 D HN 0.376 nan 8.370 nan 0.000 0.452 145 I N 0.453 121.035 120.570 0.021 0.000 2.252 145 I HA -0.223 3.948 4.170 0.002 0.000 0.245 145 I C 2.425 178.553 176.117 0.018 0.000 1.102 145 I CA 0.356 61.664 61.300 0.014 0.000 1.385 145 I CB -0.131 37.891 38.000 0.037 0.000 1.064 145 I HN -0.012 nan 8.210 nan 0.000 0.414 146 L N 0.498 121.747 121.223 0.043 0.000 1.989 146 L HA -0.291 4.050 4.340 0.002 0.000 0.211 146 L C 2.535 179.437 176.870 0.053 0.000 1.071 146 L CA 1.981 56.848 54.840 0.045 0.000 0.749 146 L CB -1.052 41.041 42.059 0.057 0.000 0.890 146 L HN 0.215 nan 8.230 nan 0.000 0.431 147 Y N 0.529 120.806 120.300 -0.039 0.000 2.040 147 Y HA -0.373 4.179 4.550 0.002 0.000 0.275 147 Y C 2.817 178.676 175.900 -0.068 0.000 1.171 147 Y CA 2.523 60.601 58.100 -0.037 0.000 1.123 147 Y CB -0.307 38.125 38.460 -0.047 0.000 0.963 147 Y HN 0.170 nan 8.280 nan 0.000 0.493 148 R N -0.263 120.165 120.500 -0.120 0.000 2.070 148 R HA -0.164 4.178 4.340 0.002 0.000 0.233 148 R C 2.392 178.624 176.300 -0.113 0.000 1.137 148 R CA 1.951 57.799 56.100 -0.421 0.000 0.945 148 R CB -0.589 29.307 30.300 -0.674 0.000 0.845 148 R HN 0.396 nan 8.270 nan 0.000 0.430 149 L N 0.489 121.676 121.223 -0.060 0.000 2.046 149 L HA -0.233 4.108 4.340 0.002 0.000 0.208 149 L C 2.585 179.450 176.870 -0.008 0.000 1.077 149 L CA 1.468 56.305 54.840 -0.006 0.000 0.747 149 L CB -0.451 41.606 42.059 -0.003 0.000 0.896 149 L HN 0.311 nan 8.230 nan 0.000 0.432 150 Q N -0.861 118.915 119.800 -0.040 0.000 2.083 150 Q HA -0.153 4.188 4.340 0.002 0.000 0.198 150 Q C 2.395 178.359 176.000 -0.059 0.000 0.969 150 Q CA 1.182 56.957 55.803 -0.046 0.000 0.838 150 Q CB -0.021 28.687 28.738 -0.050 0.000 0.900 150 Q HN 0.455 nan 8.270 nan 0.000 0.436 151 M N 0.369 119.899 119.600 -0.116 0.000 2.117 151 M HA -0.119 4.362 4.480 0.002 0.000 0.262 151 M C 2.372 178.680 176.300 0.013 0.000 1.065 151 M CA 1.592 56.833 55.300 -0.097 0.000 1.114 151 M CB -0.918 31.568 32.600 -0.190 0.000 1.361 151 M HN 0.184 nan 8.290 nan 0.000 0.408 152 S N -0.442 115.317 115.700 0.097 0.000 2.470 152 S HA 0.002 4.473 4.470 0.002 0.000 0.225 152 S C 0.736 175.358 174.600 0.037 0.000 1.006 152 S CA 0.071 58.328 58.200 0.094 0.000 0.934 152 S CB -0.293 63.025 63.200 0.197 0.000 0.778 152 S HN 0.474 nan 8.310 nan 0.000 0.517 153 K N 1.153 121.567 120.400 0.022 0.000 3.148 153 K HA -0.143 4.178 4.320 0.002 0.000 0.267 153 K C 0.054 176.661 176.600 0.013 0.000 0.996 153 K CA 0.207 56.499 56.287 0.008 0.000 0.737 153 K CB -2.420 30.081 32.500 0.000 0.000 1.308 153 K HN 0.645 nan 8.250 nan 0.000 0.470 154 A N 1.080 123.914 122.820 0.023 0.000 2.520 154 A HA 0.075 4.397 4.320 0.002 0.000 0.245 154 A C 1.080 178.667 177.584 0.006 0.000 1.072 154 A CA 0.229 52.280 52.037 0.023 0.000 0.761 154 A CB 0.364 19.385 19.000 0.035 0.000 1.004 154 A HN 0.397 nan 8.150 nan 0.000 0.499 155 K N 0.725 121.128 120.400 0.005 0.000 2.365 155 K HA 0.322 4.644 4.320 0.002 0.000 0.197 155 K C 0.453 177.046 176.600 -0.012 0.000 1.042 155 K CA 1.209 57.493 56.287 -0.004 0.000 0.987 155 K CB 0.221 32.723 32.500 0.003 0.000 0.779 155 K HN 0.873 nan 8.250 nan 0.000 0.484 156 A N 0.144 122.961 122.820 -0.005 0.000 2.609 156 A HA 0.684 5.005 4.320 0.002 0.000 0.291 156 A C -1.806 175.779 177.584 0.002 0.000 1.096 156 A CA -0.697 51.333 52.037 -0.011 0.000 0.684 156 A CB 1.172 20.175 19.000 0.005 0.000 1.282 156 A HN 0.118 nan 8.150 nan 0.000 0.412 157 I N 0.776 121.349 120.570 0.004 0.000 2.607 157 I HA 0.604 4.775 4.170 0.002 0.000 0.290 157 I C -1.689 174.495 176.117 0.111 0.000 1.129 157 I CA -0.747 60.585 61.300 0.053 0.000 1.042 157 I CB 2.009 40.052 38.000 0.071 0.000 1.242 157 I HN 0.405 nan 8.210 nan 0.000 0.421 158 V N 7.484 127.449 119.914 0.084 0.000 2.347 158 V HA 0.870 4.992 4.120 0.002 0.000 0.280 158 V C 0.203 176.341 176.094 0.074 0.000 1.021 158 V CA -0.171 62.165 62.300 0.060 0.000 0.847 158 V CB 0.804 32.566 31.823 -0.102 0.000 0.990 158 V HN 0.817 nan 8.190 nan 0.000 0.444 159 A N 3.811 126.706 122.820 0.125 0.000 2.527 159 A HA 1.005 5.327 4.320 0.002 0.000 0.293 159 A C -0.017 177.520 177.584 -0.078 0.000 1.117 159 A CA -0.177 51.887 52.037 0.046 0.000 0.723 159 A CB 1.980 21.043 19.000 0.105 0.000 1.313 159 A HN 0.979 nan 8.150 nan 0.000 0.411 160 G N -1.071 107.675 108.800 -0.090 0.000 2.644 160 G HA2 0.478 4.439 3.960 0.002 0.000 0.307 160 G HA3 0.478 4.439 3.960 0.002 0.000 0.307 160 G C -0.282 174.526 174.900 -0.153 0.000 1.250 160 G CA -0.275 44.758 45.100 -0.110 0.000 0.996 160 G HN 0.520 nan 8.290 nan 0.000 0.489 161 D N -0.488 119.833 120.400 -0.132 0.000 2.203 161 D HA -0.177 4.464 4.640 0.002 0.000 0.199 161 D C 1.909 178.148 176.300 -0.100 0.000 0.997 161 D CA 1.534 55.454 54.000 -0.133 0.000 0.863 161 D CB 0.159 40.912 40.800 -0.079 0.000 0.928 161 D HN 0.723 nan 8.370 nan 0.000 0.458 162 E N 0.313 120.476 120.200 -0.061 0.000 2.150 162 E HA -0.137 4.214 4.350 0.002 0.000 0.193 162 E C 1.698 178.277 176.600 -0.035 0.000 0.985 162 E CA 1.098 57.477 56.400 -0.034 0.000 0.814 162 E CB 0.304 29.999 29.700 -0.008 0.000 0.752 162 E HN 0.254 nan 8.360 nan 0.000 0.466 163 V N -1.769 118.114 119.914 -0.051 0.000 3.477 163 V HA 0.120 4.241 4.120 0.002 0.000 0.297 163 V C 2.051 178.118 176.094 -0.046 0.000 1.433 163 V CA 0.313 62.598 62.300 -0.026 0.000 1.052 163 V CB -0.378 31.452 31.823 0.012 0.000 0.895 163 V HN 0.317 nan 8.190 nan 0.000 0.438 164 I N -1.829 118.643 120.570 -0.164 0.000 2.113 164 I HA -0.263 3.908 4.170 0.002 0.000 0.242 164 I C 2.522 178.630 176.117 -0.014 0.000 1.064 164 I CA 2.325 63.468 61.300 -0.262 0.000 1.320 164 I CB -2.334 35.367 38.000 -0.498 0.000 1.028 164 I HN 0.531 nan 8.210 nan 0.000 0.406 165 Q N -0.312 119.478 119.800 -0.017 0.000 2.084 165 Q HA -0.198 4.143 4.340 0.002 0.000 0.202 165 Q C 2.440 178.479 176.000 0.066 0.000 0.978 165 Q CA 1.972 57.796 55.803 0.036 0.000 0.844 165 Q CB -0.651 28.095 28.738 0.013 0.000 0.898 165 Q HN 0.862 nan 8.270 nan 0.000 0.426 166 E N -0.274 119.956 120.200 0.051 0.000 2.077 166 E HA -0.113 4.238 4.350 0.002 0.000 0.193 166 E C 2.119 178.774 176.600 0.092 0.000 0.989 166 E CA 1.433 57.868 56.400 0.058 0.000 0.800 166 E CB -0.427 29.298 29.700 0.040 0.000 0.746 166 E HN 0.432 nan 8.360 nan 0.000 0.452 167 V N 2.057 122.057 119.914 0.143 0.000 2.261 167 V HA -0.237 3.885 4.120 0.002 0.000 0.246 167 V C 1.823 178.027 176.094 0.184 0.000 1.047 167 V CA 2.051 64.469 62.300 0.197 0.000 1.015 167 V CB -0.501 31.547 31.823 0.374 0.000 0.642 167 V HN 0.096 nan 8.190 nan 0.000 0.446 168 D N -0.218 120.323 120.400 0.236 0.000 2.218 168 D HA -0.125 4.517 4.640 0.002 0.000 0.204 168 D C 2.241 178.607 176.300 0.109 0.000 0.976 168 D CA 1.499 55.617 54.000 0.195 0.000 0.853 168 D CB -0.298 40.650 40.800 0.245 0.000 0.939 168 D HN 0.401 nan 8.370 nan 0.000 0.481 169 T N -0.380 114.228 114.554 0.091 0.000 2.788 169 T HA -0.093 4.258 4.350 0.002 0.000 0.268 169 T C 1.869 176.599 174.700 0.051 0.000 1.044 169 T CA 1.469 63.606 62.100 0.062 0.000 1.139 169 T CB 0.084 68.983 68.868 0.052 0.000 0.867 169 T HN 0.210 nan 8.240 nan 0.000 0.454 170 V N -1.711 118.235 119.914 0.053 0.000 3.477 170 V HA 0.677 4.799 4.120 0.002 0.000 0.297 170 V C 2.161 178.273 176.094 0.028 0.000 1.433 170 V CA 0.224 62.548 62.300 0.039 0.000 1.052 170 V CB -0.529 31.318 31.823 0.041 0.000 0.895 170 V HN 0.287 nan 8.190 nan 0.000 0.438 171 A N 2.226 125.063 122.820 0.029 0.000 1.933 171 A HA -0.142 4.180 4.320 0.002 0.000 0.218 171 A C 2.484 180.058 177.584 -0.016 0.000 1.175 171 A CA 2.367 54.403 52.037 -0.002 0.000 0.628 171 A CB -0.806 18.180 19.000 -0.024 0.000 0.814 171 A HN 1.033 nan 8.150 nan 0.000 0.444 172 S N 0.005 115.702 115.700 -0.005 0.000 2.447 172 S HA -0.121 4.351 4.470 0.002 0.000 0.233 172 S C 1.236 175.833 174.600 -0.005 0.000 1.006 172 S CA 1.216 59.411 58.200 -0.008 0.000 0.957 172 S CB -0.434 62.766 63.200 0.000 0.000 0.773 172 S HN 0.679 nan 8.310 nan 0.000 0.507 173 E N 0.017 120.218 120.200 0.002 0.000 2.494 173 E HA 0.124 4.476 4.350 0.002 0.000 0.193 173 E C -0.581 176.019 176.600 -0.001 0.000 1.074 173 E CA -0.174 56.228 56.400 0.004 0.000 0.867 173 E CB -0.048 29.659 29.700 0.012 0.000 0.924 173 E HN 0.484 nan 8.360 nan 0.000 0.502 174 C N 1.750 121.045 119.300 -0.008 0.000 2.357 174 C HA 0.230 4.691 4.460 0.002 0.000 0.300 174 C C -1.379 173.600 174.990 -0.018 0.000 1.074 174 C CA -1.536 57.474 59.018 -0.012 0.000 1.566 174 C CB 0.081 27.813 27.740 -0.014 0.000 1.791 174 C HN 0.256 nan 8.230 nan 0.000 0.415 175 P HA -0.111 nan 4.420 nan 0.000 0.216 175 P C 1.554 178.844 177.300 -0.018 0.000 1.150 175 P CA 1.442 64.532 63.100 -0.015 0.000 0.843 175 P CB 0.157 31.851 31.700 -0.010 0.000 0.787 176 S N -0.913 114.777 115.700 -0.016 0.000 2.453 176 S HA -0.016 4.456 4.470 0.002 0.000 0.231 176 S C 0.827 175.414 174.600 -0.021 0.000 1.005 176 S CA -0.056 58.135 58.200 -0.015 0.000 0.949 176 S CB -0.724 62.471 63.200 -0.009 0.000 0.774 176 S HN 0.049 nan 8.310 nan 0.000 0.510 177 L N 2.905 124.111 121.223 -0.030 0.000 2.456 177 L HA 0.222 4.563 4.340 0.002 0.000 0.277 177 L C 1.052 177.885 176.870 -0.061 0.000 1.124 177 L CA 0.383 55.196 54.840 -0.046 0.000 0.880 177 L CB 0.190 42.215 42.059 -0.057 0.000 1.192 177 L HN -0.032 nan 8.230 nan 0.000 0.463 178 R N 4.200 124.666 120.500 -0.056 0.000 2.316 178 R HA 0.338 4.679 4.340 0.002 0.000 0.201 178 R C -0.378 175.878 176.300 -0.075 0.000 0.888 178 R CA 0.008 56.074 56.100 -0.057 0.000 1.041 178 R CB 0.607 30.887 30.300 -0.033 0.000 1.115 178 R HN 0.504 nan 8.270 nan 0.000 0.559 179 I N 1.974 122.495 120.570 -0.083 0.000 2.499 179 I HA 0.306 4.477 4.170 0.002 0.000 0.288 179 I C -1.138 174.893 176.117 -0.142 0.000 1.048 179 I CA -0.662 60.586 61.300 -0.086 0.000 1.062 179 I CB 2.042 40.025 38.000 -0.028 0.000 1.238 179 I HN 0.012 nan 8.210 nan 0.000 0.426 180 K N 7.196 127.457 120.400 -0.231 0.000 2.507 180 K HA 0.560 4.882 4.320 0.002 0.000 0.253 180 K C -0.970 175.614 176.600 -0.026 0.000 0.969 180 K CA -0.602 55.440 56.287 -0.408 0.000 0.908 180 K CB 2.279 34.056 32.500 -1.205 0.000 1.127 180 K HN 0.432 nan 8.250 nan 0.000 0.437 181 L N 3.992 125.344 121.223 0.215 0.000 2.275 181 L HA 0.368 4.709 4.340 0.002 0.000 0.288 181 L C -0.668 176.513 176.870 0.518 0.000 1.046 181 L CA -1.055 53.997 54.840 0.353 0.000 0.805 181 L CB 0.971 43.198 42.059 0.280 0.000 1.193 181 L HN 0.367 nan 8.230 nan 0.000 0.426 182 L N 5.103 126.613 121.223 0.478 0.000 2.307 182 L HA 0.496 4.838 4.340 0.002 0.000 0.284 182 L C -0.632 176.316 176.870 0.130 0.000 1.023 182 L CA -0.210 54.741 54.840 0.186 0.000 0.810 182 L CB 1.779 43.832 42.059 -0.009 0.000 1.231 182 L HN 0.224 nan 8.230 nan 0.000 0.423 183 V N 4.793 124.717 119.914 0.016 0.000 2.311 183 V HA 0.757 4.879 4.120 0.002 0.000 0.275 183 V C -0.044 176.048 176.094 -0.003 0.000 1.022 183 V CA -0.092 62.223 62.300 0.026 0.000 0.830 183 V CB 0.571 32.339 31.823 -0.092 0.000 1.012 183 V HN 0.870 nan 8.190 nan 0.000 0.452 184 S N 2.970 118.687 115.700 0.027 0.000 2.586 184 S HA 0.316 4.788 4.470 0.002 0.000 0.277 184 S C 0.343 174.954 174.600 0.019 0.000 1.131 184 S CA -0.570 57.629 58.200 -0.001 0.000 0.848 184 S CB 1.915 65.088 63.200 -0.046 0.000 1.091 184 S HN 0.587 nan 8.310 nan 0.000 0.453 185 E N 1.712 121.920 120.200 0.013 0.000 2.268 185 E HA 0.045 4.396 4.350 0.002 0.000 0.195 185 E C 0.055 176.663 176.600 0.014 0.000 0.995 185 E CA 1.013 57.424 56.400 0.018 0.000 0.836 185 E CB -0.052 29.660 29.700 0.020 0.000 0.763 185 E HN 0.491 nan 8.360 nan 0.000 0.491 186 K N 0.514 120.915 120.400 0.002 0.000 2.098 186 K HA 0.347 4.668 4.320 0.002 0.000 0.261 186 K C 0.149 176.751 176.600 0.004 0.000 0.987 186 K CA -0.313 55.974 56.287 -0.001 0.000 0.916 186 K CB 1.607 34.097 32.500 -0.015 0.000 1.039 186 K HN -0.196 nan 8.250 nan 0.000 0.455 187 S N 0.285 115.995 115.700 0.016 0.000 2.672 187 S HA 0.429 4.901 4.470 0.002 0.000 0.276 187 S C -0.889 173.730 174.600 0.031 0.000 1.207 187 S CA -0.661 57.560 58.200 0.035 0.000 1.002 187 S CB 1.046 64.273 63.200 0.045 0.000 0.998 187 S HN 0.632 nan 8.310 nan 0.000 0.542 188 C N 1.517 120.859 119.300 0.070 0.000 2.985 188 C HA 0.388 4.849 4.460 0.002 0.000 0.332 188 C C -1.704 173.401 174.990 0.192 0.000 1.164 188 C CA -0.969 58.103 59.018 0.090 0.000 1.347 188 C CB 1.146 28.880 27.740 -0.009 0.000 1.764 188 C HN 0.847 nan 8.230 nan 0.000 0.489 189 D N 2.578 123.081 120.400 0.171 0.000 2.435 189 D HA 0.472 5.113 4.640 0.002 0.000 0.230 189 D C 0.942 177.356 176.300 0.191 0.000 1.215 189 D CA 1.486 55.576 54.000 0.150 0.000 0.947 189 D CB 0.453 41.312 40.800 0.099 0.000 1.048 189 D HN 1.117 nan 8.370 nan 0.000 0.512 190 G N 1.314 110.219 108.800 0.175 0.000 2.485 190 G HA2 -0.171 3.791 3.960 0.002 0.000 0.181 190 G HA3 -0.171 3.791 3.960 0.002 0.000 0.181 190 G C -0.513 174.340 174.900 -0.078 0.000 0.999 190 G CA -0.867 44.262 45.100 0.048 0.000 0.721 190 G HN 0.296 nan 8.290 nan 0.000 0.486 191 W N 1.320 122.636 121.300 0.027 0.000 2.587 191 W HA 0.779 5.440 4.660 0.002 0.000 0.324 191 W C 0.442 176.985 176.519 0.039 0.000 1.040 191 W CA -0.914 56.451 57.345 0.034 0.000 1.222 191 W CB 1.120 30.601 29.460 0.035 0.000 1.381 191 W HN 0.007 nan 8.180 nan 0.000 0.483 192 L N 3.758 125.124 121.223 0.237 0.000 2.426 192 L HA 0.112 4.453 4.340 0.002 0.000 0.271 192 L C 0.826 177.828 176.870 0.220 0.000 1.169 192 L CA -0.228 54.717 54.840 0.175 0.000 0.836 192 L CB 0.288 42.417 42.059 0.118 0.000 1.112 192 L HN 0.406 nan 8.230 nan 0.000 0.465 193 N N 2.283 121.075 118.700 0.153 0.000 2.415 193 N HA -0.027 4.715 4.740 0.002 0.000 0.246 193 N C 0.486 176.082 175.510 0.142 0.000 1.078 193 N CA 0.047 53.185 53.050 0.146 0.000 0.942 193 N CB 0.635 39.176 38.487 0.090 0.000 1.140 193 N HN 0.539 nan 8.380 nan 0.000 0.501 194 F N 5.156 125.141 119.950 0.059 0.000 2.146 194 F HA -0.022 4.506 4.527 0.002 0.000 0.298 194 F C 1.827 177.642 175.800 0.024 0.000 1.096 194 F CA 1.376 59.401 58.000 0.041 0.000 1.275 194 F CB 0.257 39.281 39.000 0.041 0.000 1.008 194 F HN 0.462 nan 8.300 nan 0.000 0.480 195 K N 0.169 120.656 120.400 0.145 0.000 2.026 195 K HA -0.202 4.120 4.320 0.002 0.000 0.208 195 K C 2.385 178.948 176.600 -0.062 0.000 1.048 195 K CA 1.691 58.005 56.287 0.044 0.000 0.929 195 K CB -0.364 32.203 32.500 0.111 0.000 0.713 195 K HN 0.070 nan 8.250 nan 0.000 0.439 196 K N 1.414 121.796 120.400 -0.030 0.000 2.009 196 K HA -0.094 4.227 4.320 0.002 0.000 0.210 196 K C 2.089 178.636 176.600 -0.088 0.000 1.049 196 K CA 1.270 57.535 56.287 -0.038 0.000 0.929 196 K CB -0.713 31.784 32.500 -0.006 0.000 0.714 196 K HN 0.233 nan 8.250 nan 0.000 0.440 197 L N 0.198 121.342 121.223 -0.131 0.000 2.131 197 L HA -0.088 4.254 4.340 0.002 0.000 0.210 197 L C 2.624 179.349 176.870 -0.241 0.000 1.092 197 L CA 1.143 55.884 54.840 -0.166 0.000 0.759 197 L CB -0.454 41.505 42.059 -0.168 0.000 0.903 197 L HN 0.254 nan 8.230 nan 0.000 0.435 198 L N 0.190 121.183 121.223 -0.384 0.000 2.046 198 L HA -0.192 4.149 4.340 0.002 0.000 0.208 198 L C 2.068 178.840 176.870 -0.164 0.000 1.077 198 L CA 1.791 56.419 54.840 -0.353 0.000 0.747 198 L CB -0.588 41.188 42.059 -0.471 0.000 0.896 198 L HN 0.198 nan 8.230 nan 0.000 0.432 199 N N -0.182 118.448 118.700 -0.117 0.000 2.289 199 N HA -0.164 4.577 4.740 0.002 0.000 0.184 199 N C 1.600 177.079 175.510 -0.052 0.000 1.016 199 N CA 1.369 54.384 53.050 -0.059 0.000 0.872 199 N CB -0.053 38.412 38.487 -0.037 0.000 0.973 199 N HN 0.530 nan 8.380 nan 0.000 0.433 200 E N -0.202 119.959 120.200 -0.065 0.000 2.318 200 E HA 0.180 4.532 4.350 0.002 0.000 0.193 200 E C 0.436 177.007 176.600 -0.049 0.000 0.998 200 E CA -0.004 56.367 56.400 -0.048 0.000 0.859 200 E CB 0.198 29.871 29.700 -0.045 0.000 0.812 200 E HN 0.282 nan 8.360 nan 0.000 0.492 201 A N 1.319 124.098 122.820 -0.068 0.000 2.406 201 A HA 0.183 4.504 4.320 0.002 0.000 0.243 201 A C 0.349 177.910 177.584 -0.039 0.000 1.082 201 A CA -0.172 51.830 52.037 -0.058 0.000 0.786 201 A CB 0.659 19.608 19.000 -0.085 0.000 1.029 201 A HN 0.103 nan 8.150 nan 0.000 0.495 202 S N -0.672 115.012 115.700 -0.027 0.000 2.565 202 S HA 0.294 4.765 4.470 0.002 0.000 0.274 202 S C 1.386 175.973 174.600 -0.022 0.000 1.309 202 S CA 0.154 58.341 58.200 -0.023 0.000 1.043 202 S CB 0.480 63.667 63.200 -0.022 0.000 0.939 202 S HN 1.246 nan 8.310 nan 0.000 0.504 203 T N 1.342 115.883 114.554 -0.021 0.000 3.160 203 T HA 0.129 4.480 4.350 0.002 0.000 0.257 203 T C 0.511 175.195 174.700 -0.027 0.000 1.147 203 T CA 0.162 62.251 62.100 -0.018 0.000 1.064 203 T CB -0.457 68.406 68.868 -0.008 0.000 0.949 203 T HN 0.500 nan 8.240 nan 0.000 0.526 204 T N 2.740 117.263 114.554 -0.051 0.000 2.767 204 T HA 0.388 4.739 4.350 0.002 0.000 0.284 204 T C -1.006 173.615 174.700 -0.132 0.000 0.973 204 T CA -0.586 61.446 62.100 -0.113 0.000 0.996 204 T CB 1.048 69.818 68.868 -0.163 0.000 0.927 204 T HN 0.428 nan 8.240 nan 0.000 0.456 205 H N 2.389 121.306 119.070 -0.255 0.000 2.856 205 H HA 0.264 4.821 4.556 0.002 0.000 0.355 205 H C -1.127 174.041 175.328 -0.266 0.000 1.079 205 H CA -0.572 55.328 56.048 -0.247 0.000 1.240 205 H CB 1.078 30.778 29.762 -0.104 0.000 1.701 205 H HN 0.732 nan 8.280 nan 0.000 0.527 206 H N 3.244 121.966 119.070 -0.580 0.000 2.782 206 H HA 0.138 4.695 4.556 0.002 0.000 0.285 206 H C 0.380 175.521 175.328 -0.312 0.000 1.093 206 H CA -0.141 55.709 56.048 -0.331 0.000 1.410 206 H CB 0.370 29.982 29.762 -0.249 0.000 1.439 206 H HN 0.431 nan 8.280 nan 0.000 0.469 207 C N 4.889 124.229 119.300 0.067 0.000 2.596 207 C HA 0.042 4.504 4.460 0.002 0.000 0.414 207 C C 0.749 175.776 174.990 0.062 0.000 1.396 207 C CA -0.545 58.555 59.018 0.136 0.000 1.698 207 C CB -0.970 26.820 27.740 0.083 0.000 2.572 207 C HN 0.610 nan 8.230 nan 0.000 0.604 208 V N 7.716 127.682 119.914 0.087 0.000 2.655 208 V HA 0.063 4.184 4.120 0.002 0.000 0.300 208 V C 0.858 176.921 176.094 -0.050 0.000 1.044 208 V CA 0.438 62.749 62.300 0.019 0.000 1.095 208 V CB 0.662 32.506 31.823 0.034 0.000 0.952 208 V HN 0.814 nan 8.190 nan 0.000 0.485 209 E N 3.342 123.506 120.200 -0.059 0.000 2.053 209 E HA 0.062 4.413 4.350 0.002 0.000 0.297 209 E C 0.498 177.026 176.600 -0.121 0.000 1.173 209 E CA -0.164 56.186 56.400 -0.083 0.000 1.219 209 E CB -0.277 29.388 29.700 -0.058 0.000 1.103 209 E HN 0.860 nan 8.360 nan 0.000 0.476 210 T N -1.032 113.386 114.554 -0.227 0.000 2.919 210 T HA 0.310 4.661 4.350 0.002 0.000 0.302 210 T C 0.822 175.383 174.700 -0.232 0.000 1.031 210 T CA -0.796 61.081 62.100 -0.372 0.000 1.127 210 T CB 1.636 69.876 68.868 -1.046 0.000 0.952 210 T HN 0.252 nan 8.240 nan 0.000 0.540 211 G N 1.066 109.801 108.800 -0.109 0.000 2.539 211 G HA2 0.362 4.323 3.960 0.002 0.000 0.258 211 G HA3 0.362 4.323 3.960 0.002 0.000 0.258 211 G C 0.918 175.888 174.900 0.117 0.000 1.202 211 G CA -0.774 44.336 45.100 0.016 0.000 0.851 211 G HN 0.724 nan 8.290 nan 0.000 0.556 212 S N 0.035 115.821 115.700 0.142 0.000 2.382 212 S HA -0.106 4.366 4.470 0.002 0.000 0.228 212 S C 2.126 176.833 174.600 0.179 0.000 1.027 212 S CA 1.137 59.452 58.200 0.191 0.000 0.991 212 S CB -0.037 63.232 63.200 0.116 0.000 0.823 212 S HN 0.641 nan 8.310 nan 0.000 0.469 213 Q N 0.408 120.282 119.800 0.124 0.000 2.319 213 Q HA 0.224 4.565 4.340 0.002 0.000 0.202 213 Q C 0.294 176.352 176.000 0.097 0.000 0.896 213 Q CA -0.025 55.824 55.803 0.078 0.000 0.942 213 Q CB 0.221 28.975 28.738 0.027 0.000 1.083 213 Q HN 0.584 nan 8.270 nan 0.000 0.510 214 E N 1.245 121.560 120.200 0.192 0.000 2.360 214 E HA 0.287 4.639 4.350 0.002 0.000 0.269 214 E C -0.592 176.143 176.600 0.225 0.000 1.022 214 E CA -0.300 56.233 56.400 0.221 0.000 0.887 214 E CB 0.740 30.609 29.700 0.282 0.000 0.990 214 E HN 0.168 nan 8.360 nan 0.000 0.426 215 A N 3.605 126.475 122.820 0.083 0.000 2.567 215 A HA -0.024 4.297 4.320 0.002 0.000 0.240 215 A C 0.851 178.337 177.584 -0.163 0.000 1.053 215 A CA 0.811 52.822 52.037 -0.044 0.000 0.755 215 A CB 0.552 19.519 19.000 -0.054 0.000 0.978 215 A HN 0.654 nan 8.150 nan 0.000 0.507 216 S N 1.181 116.625 115.700 -0.426 0.000 2.665 216 S HA 0.550 5.022 4.470 0.002 0.000 0.240 216 S C 0.536 174.754 174.600 -0.637 0.000 1.081 216 S CA 0.937 58.704 58.200 -0.723 0.000 0.887 216 S CB -0.015 62.550 63.200 -1.058 0.000 0.805 216 S HN 1.887 nan 8.310 nan 0.000 0.486 217 A N 0.550 123.000 122.820 -0.616 0.000 2.572 217 A HA 0.757 5.078 4.320 0.002 0.000 0.295 217 A C -1.652 175.709 177.584 -0.372 0.000 1.072 217 A CA -0.608 50.912 52.037 -0.862 0.000 0.691 217 A CB 1.058 19.161 19.000 -1.496 0.000 1.291 217 A HN 0.367 nan 8.150 nan 0.000 0.404 218 I N 1.212 121.569 120.570 -0.356 0.000 2.447 218 I HA 0.361 4.533 4.170 0.002 0.000 0.287 218 I C -1.563 174.449 176.117 -0.175 0.000 1.023 218 I CA -0.318 60.871 61.300 -0.185 0.000 1.083 218 I CB 1.668 39.547 38.000 -0.203 0.000 1.245 218 I HN 0.663 nan 8.210 nan 0.000 0.434 219 Y N 5.416 125.707 120.300 -0.015 0.000 2.335 219 Y HA 0.419 4.970 4.550 0.002 0.000 0.338 219 Y C -0.198 175.750 175.900 0.080 0.000 0.977 219 Y CA -0.454 57.710 58.100 0.108 0.000 1.114 219 Y CB 1.378 39.919 38.460 0.135 0.000 1.182 219 Y HN 0.333 nan 8.280 nan 0.000 0.463 220 F N 2.042 122.150 119.950 0.264 0.000 2.504 220 F HA 0.277 4.806 4.527 0.003 0.000 0.369 220 F C 0.750 176.708 175.800 0.265 0.000 1.082 220 F CA 0.419 58.572 58.000 0.255 0.000 1.216 220 F CB 0.890 40.034 39.000 0.240 0.000 1.108 220 F HN 0.270 nan 8.300 nan 0.000 0.554 221 T N 3.037 117.810 114.554 0.366 0.000 2.886 221 T HA 0.381 4.733 4.350 0.002 0.000 0.292 221 T C -0.416 174.417 174.700 0.221 0.000 1.012 221 T CA -0.656 61.607 62.100 0.272 0.000 0.982 221 T CB 0.791 69.781 68.868 0.205 0.000 1.018 221 T HN 0.489 nan 8.240 nan 0.000 0.451 222 S N 2.366 118.174 115.700 0.180 0.000 2.572 222 S HA 0.569 5.040 4.470 0.002 0.000 0.279 222 S C 0.686 175.331 174.600 0.074 0.000 1.341 222 S CA -0.418 57.858 58.200 0.127 0.000 1.043 222 S CB 0.855 64.127 63.200 0.120 0.000 0.887 222 S HN 0.924 nan 8.310 nan 0.000 0.516 223 G N 0.161 108.985 108.800 0.040 0.000 2.537 223 G HA2 0.420 4.381 3.960 0.002 0.000 0.323 223 G HA3 0.420 4.381 3.960 0.002 0.000 0.323 223 G C 0.747 175.644 174.900 -0.006 0.000 1.207 223 G CA -0.423 44.677 45.100 -0.000 0.000 0.976 223 G HN 0.601 nan 8.290 nan 0.000 0.487 224 T N -1.240 113.300 114.554 -0.023 0.000 2.881 224 T HA 0.052 4.403 4.350 0.002 0.000 0.270 224 T C 1.190 175.875 174.700 -0.025 0.000 1.068 224 T CA 1.842 63.926 62.100 -0.026 0.000 1.131 224 T CB -0.400 68.444 68.868 -0.040 0.000 0.871 224 T HN 1.001 nan 8.240 nan 0.000 0.479 225 S N -1.896 113.790 115.700 -0.025 0.000 2.705 225 S HA 0.693 5.164 4.470 0.002 0.000 0.280 225 S C 0.342 174.932 174.600 -0.015 0.000 1.174 225 S CA -0.069 58.119 58.200 -0.020 0.000 0.823 225 S CB 1.295 64.482 63.200 -0.021 0.000 1.162 225 S HN 1.033 nan 8.310 nan 0.000 0.487 226 G N -0.014 108.779 108.800 -0.012 0.000 2.698 226 G HA2 -0.097 3.865 3.960 0.002 0.000 0.233 226 G HA3 -0.097 3.865 3.960 0.002 0.000 0.233 226 G C -0.845 174.045 174.900 -0.017 0.000 1.352 226 G CA -0.140 44.958 45.100 -0.004 0.000 0.879 226 G HN 1.139 nan 8.290 nan 0.000 0.567 227 L N 0.729 121.948 121.223 -0.007 0.000 2.358 227 L HA 0.527 4.869 4.340 0.002 0.000 0.268 227 L C -1.840 175.074 176.870 0.074 0.000 1.032 227 L CA -2.054 52.735 54.840 -0.084 0.000 0.805 227 L CB 1.451 43.312 42.059 -0.329 0.000 1.253 227 L HN 0.369 nan 8.230 nan 0.000 0.452 228 P HA 0.052 nan 4.420 nan 0.000 0.265 228 P C -1.143 176.411 177.300 0.424 0.000 1.187 228 P CA 0.175 63.457 63.100 0.302 0.000 0.766 228 P CB 0.364 32.318 31.700 0.423 0.000 0.820 229 K N 2.137 122.685 120.400 0.248 0.000 2.132 229 K HA 0.514 4.835 4.320 0.002 0.000 0.241 229 K C 0.110 176.758 176.600 0.079 0.000 1.000 229 K CA -0.699 55.678 56.287 0.151 0.000 0.911 229 K CB 0.796 33.278 32.500 -0.031 0.000 1.093 229 K HN 0.392 nan 8.250 nan 0.000 0.460 230 M N 2.042 121.616 119.600 -0.044 0.000 2.111 230 M HA 0.221 4.703 4.480 0.002 0.000 0.351 230 M C -0.573 175.759 176.300 0.053 0.000 1.214 230 M CA -0.516 54.622 55.300 -0.271 0.000 1.120 230 M CB 1.271 33.612 32.600 -0.432 0.000 1.443 230 M HN 0.626 nan 8.290 nan 0.000 0.429 231 A N 3.513 126.410 122.820 0.128 0.000 2.347 231 A HA 0.231 4.552 4.320 0.002 0.000 0.287 231 A C -0.046 177.604 177.584 0.110 0.000 1.199 231 A CA -0.329 51.838 52.037 0.216 0.000 0.851 231 A CB 0.064 19.132 19.000 0.114 0.000 1.118 231 A HN 0.787 nan 8.150 nan 0.000 0.525 232 E N 2.600 122.794 120.200 -0.010 0.000 2.227 232 E HA 0.288 4.639 4.350 0.002 0.000 0.282 232 E C -0.890 175.589 176.600 -0.200 0.000 1.015 232 E CA -0.415 55.908 56.400 -0.129 0.000 0.823 232 E CB 0.467 30.041 29.700 -0.211 0.000 1.081 232 E HN 0.794 nan 8.360 nan 0.000 0.396 233 H N 1.500 120.529 119.070 -0.068 0.000 2.569 233 H HA 0.237 4.794 4.556 0.001 0.000 0.357 233 H C -0.129 175.117 175.328 -0.138 0.000 1.153 233 H CA -0.545 55.463 56.048 -0.067 0.000 1.193 233 H CB 2.022 31.765 29.762 -0.032 0.000 1.602 233 H HN 0.643 nan 8.280 nan 0.000 0.523 234 S N 1.226 116.961 115.700 0.059 0.000 2.713 234 S HA 0.126 4.597 4.470 0.002 0.000 0.277 234 S C 0.938 175.550 174.600 0.020 0.000 1.168 234 S CA -0.516 57.695 58.200 0.019 0.000 0.994 234 S CB 0.557 63.800 63.200 0.071 0.000 1.054 234 S HN 0.560 nan 8.310 nan 0.000 0.555 235 Y N 0.733 121.129 120.300 0.161 0.000 2.352 235 Y HA -0.066 4.485 4.550 0.002 0.000 0.292 235 Y C 3.064 179.141 175.900 0.296 0.000 1.136 235 Y CA 1.522 59.784 58.100 0.271 0.000 1.227 235 Y CB -0.342 38.301 38.460 0.304 0.000 0.991 235 Y HN 0.831 nan 8.280 nan 0.000 0.545 236 S N -1.580 114.278 115.700 0.264 0.000 2.456 236 S HA -0.100 4.371 4.470 0.002 0.000 0.224 236 S C 2.112 176.705 174.600 -0.010 0.000 1.035 236 S CA 0.466 58.666 58.200 -0.002 0.000 0.940 236 S CB -0.775 62.395 63.200 -0.049 0.000 0.799 236 S HN 0.403 nan 8.310 nan 0.000 0.508 237 S N 1.986 117.727 115.700 0.067 0.000 2.399 237 S HA 0.055 4.526 4.470 0.002 0.000 0.231 237 S C 1.718 176.335 174.600 0.028 0.000 1.022 237 S CA 1.037 59.295 58.200 0.096 0.000 0.983 237 S CB -0.690 62.663 63.200 0.255 0.000 0.803 237 S HN 0.541 nan 8.310 nan 0.000 0.480 238 L N 0.448 121.679 121.223 0.013 0.000 2.276 238 L HA 0.335 4.677 4.340 0.002 0.000 0.194 238 L C 3.035 179.943 176.870 0.063 0.000 1.099 238 L CA 0.751 55.569 54.840 -0.037 0.000 0.800 238 L CB -1.177 40.863 42.059 -0.032 0.000 0.994 238 L HN 0.444 nan 8.230 nan 0.000 0.475 239 G N 0.168 109.099 108.800 0.219 0.000 2.404 239 G HA2 -0.232 3.730 3.960 0.002 0.000 0.215 239 G HA3 -0.232 3.730 3.960 0.002 0.000 0.215 239 G C 1.509 176.604 174.900 0.325 0.000 1.174 239 G CA 0.637 46.046 45.100 0.515 0.000 0.780 239 G HN 0.125 nan 8.290 nan 0.000 0.537 240 L N 0.706 121.793 121.223 -0.227 0.000 2.072 240 L HA 0.169 4.511 4.340 0.002 0.000 0.205 240 L C 2.624 179.408 176.870 -0.143 0.000 1.079 240 L CA 2.091 56.611 54.840 -0.534 0.000 0.752 240 L CB -0.606 40.953 42.059 -0.833 0.000 0.906 240 L HN 0.185 nan 8.230 nan 0.000 0.436 241 K N 0.316 120.662 120.400 -0.089 0.000 2.020 241 K HA -0.157 4.165 4.320 0.002 0.000 0.212 241 K C 2.012 178.618 176.600 0.010 0.000 1.050 241 K CA 2.085 58.336 56.287 -0.060 0.000 0.929 241 K CB -0.852 31.606 32.500 -0.070 0.000 0.714 241 K HN 0.377 nan 8.250 nan 0.000 0.443 242 A N 0.668 123.538 122.820 0.085 0.000 1.972 242 A HA -0.191 4.131 4.320 0.002 0.000 0.219 242 A C 2.162 179.909 177.584 0.271 0.000 1.169 242 A CA 1.977 54.121 52.037 0.178 0.000 0.635 242 A CB -0.577 18.534 19.000 0.185 0.000 0.810 242 A HN 0.463 nan 8.150 nan 0.000 0.446 243 K N -0.979 119.599 120.400 0.297 0.000 2.057 243 K HA -0.050 4.272 4.320 0.002 0.000 0.206 243 K C 1.991 178.696 176.600 0.175 0.000 1.050 243 K CA 1.550 58.008 56.287 0.285 0.000 0.935 243 K CB -0.217 32.453 32.500 0.284 0.000 0.715 243 K HN 0.485 nan 8.250 nan 0.000 0.439 244 M N 0.810 120.467 119.600 0.096 0.000 2.229 244 M HA -0.122 4.360 4.480 0.002 0.000 0.264 244 M C 0.771 177.114 176.300 0.071 0.000 1.063 244 M CA 1.270 56.601 55.300 0.053 0.000 1.114 244 M CB 0.186 32.778 32.600 -0.013 0.000 1.387 244 M HN 0.041 nan 8.290 nan 0.000 0.420 245 D N 0.814 121.270 120.400 0.093 0.000 2.349 245 D HA 0.127 4.769 4.640 0.002 0.000 0.224 245 D C 0.388 176.869 176.300 0.302 0.000 1.029 245 D CA 0.210 54.298 54.000 0.147 0.000 0.879 245 D CB -0.159 40.685 40.800 0.074 0.000 0.906 245 D HN 0.186 nan 8.370 nan 0.000 0.528 246 A N 0.291 123.264 122.820 0.256 0.000 2.553 246 A HA 0.367 4.688 4.320 0.002 0.000 0.258 246 A C 1.581 179.295 177.584 0.217 0.000 1.069 246 A CA 0.994 53.189 52.037 0.263 0.000 0.767 246 A CB -0.289 18.867 19.000 0.260 0.000 0.997 246 A HN 0.370 nan 8.150 nan 0.000 0.512 247 G N 1.887 110.787 108.800 0.167 0.000 2.201 247 G HA2 -0.265 3.696 3.960 0.002 0.000 0.212 247 G HA3 -0.265 3.696 3.960 0.002 0.000 0.212 247 G C 0.926 175.870 174.900 0.072 0.000 0.994 247 G CA 0.669 45.824 45.100 0.092 0.000 0.644 247 G HN 1.617 nan 8.290 nan 0.000 0.508 248 W N 1.842 123.175 121.300 0.055 0.000 2.364 248 W HA -0.091 4.570 4.660 0.001 0.000 0.281 248 W C 1.560 178.102 176.519 0.040 0.000 1.219 248 W CA 2.122 59.489 57.345 0.037 0.000 1.220 248 W CB -1.456 28.014 29.460 0.016 0.000 1.127 248 W HN 0.707 nan 8.180 nan 0.000 0.556 249 T N -2.286 111.784 114.554 -0.806 0.000 3.160 249 T HA 0.342 4.694 4.350 0.002 0.000 0.257 249 T C 1.737 176.261 174.700 -0.293 0.000 1.147 249 T CA 1.074 62.687 62.100 -0.812 0.000 1.064 249 T CB -0.448 67.845 68.868 -0.958 0.000 0.949 249 T HN 0.561 nan 8.240 nan 0.000 0.526 250 G N 0.571 109.289 108.800 -0.137 0.000 2.241 250 G HA2 -0.226 3.735 3.960 0.002 0.000 0.244 250 G HA3 -0.226 3.735 3.960 0.002 0.000 0.244 250 G C -0.059 174.827 174.900 -0.022 0.000 0.998 250 G CA -0.001 45.077 45.100 -0.036 0.000 0.621 250 G HN 0.684 nan 8.290 nan 0.000 0.519 251 L N 1.044 122.229 121.223 -0.062 0.000 2.492 251 L HA 0.525 4.867 4.340 0.002 0.000 0.280 251 L C 0.623 177.508 176.870 0.024 0.000 1.240 251 L CA 0.927 55.757 54.840 -0.016 0.000 0.831 251 L CB 0.500 42.537 42.059 -0.037 0.000 1.100 251 L HN 0.505 nan 8.230 nan 0.000 0.505 252 Q N 1.382 121.208 119.800 0.044 0.000 2.501 252 Q HA 0.452 4.794 4.340 0.002 0.000 0.288 252 Q C 0.634 176.660 176.000 0.044 0.000 1.051 252 Q CA -0.287 55.547 55.803 0.053 0.000 0.788 252 Q CB 1.639 30.410 28.738 0.054 0.000 1.469 252 Q HN 0.758 nan 8.270 nan 0.000 0.416 253 A N 0.722 123.558 122.820 0.027 0.000 1.927 253 A HA -0.211 4.111 4.320 0.002 0.000 0.220 253 A C 1.572 179.142 177.584 -0.024 0.000 1.185 253 A CA 2.623 54.633 52.037 -0.045 0.000 0.639 253 A CB -0.566 18.401 19.000 -0.056 0.000 0.820 253 A HN 0.655 nan 8.150 nan 0.000 0.451 254 S N -0.904 114.810 115.700 0.024 0.000 2.573 254 S HA 0.298 4.770 4.470 0.002 0.000 0.244 254 S C -0.487 174.160 174.600 0.078 0.000 0.984 254 S CA -0.527 57.702 58.200 0.049 0.000 1.001 254 S CB -0.144 63.083 63.200 0.046 0.000 0.788 254 S HN 0.370 nan 8.310 nan 0.000 0.456 255 D N 1.270 121.721 120.400 0.085 0.000 2.494 255 D HA 0.538 5.179 4.640 0.002 0.000 0.259 255 D C -0.292 176.085 176.300 0.129 0.000 1.109 255 D CA -0.648 53.412 54.000 0.099 0.000 1.040 255 D CB 1.043 41.892 40.800 0.082 0.000 1.175 255 D HN 0.232 nan 8.370 nan 0.000 0.584 256 I N 1.026 121.671 120.570 0.126 0.000 2.418 256 I HA 0.299 4.471 4.170 0.002 0.000 0.287 256 I C -0.394 175.791 176.117 0.114 0.000 1.008 256 I CA -0.587 60.802 61.300 0.147 0.000 1.104 256 I CB 1.651 39.734 38.000 0.138 0.000 1.264 256 I HN 0.075 nan 8.210 nan 0.000 0.438 257 M N 6.549 126.230 119.600 0.135 0.000 2.300 257 M HA 0.355 4.837 4.480 0.002 0.000 0.348 257 M C -1.627 174.810 176.300 0.227 0.000 1.151 257 M CA -0.311 55.064 55.300 0.125 0.000 1.046 257 M CB 1.842 34.483 32.600 0.067 0.000 1.647 257 M HN 0.611 nan 8.290 nan 0.000 0.451 258 W N 5.555 126.839 121.300 -0.026 0.000 2.363 258 W HA 0.440 5.101 4.660 0.002 0.000 0.314 258 W C -1.162 175.333 176.519 -0.041 0.000 0.994 258 W CA -0.720 56.620 57.345 -0.008 0.000 1.449 258 W CB 0.814 30.230 29.460 -0.074 0.000 1.248 258 W HN 0.558 nan 8.180 nan 0.000 0.409 259 T N 6.832 121.433 114.554 0.079 0.000 2.814 259 T HA 0.339 4.691 4.350 0.002 0.000 0.297 259 T C 0.238 174.772 174.700 -0.276 0.000 0.956 259 T CA 0.140 62.176 62.100 -0.107 0.000 1.123 259 T CB 0.508 69.376 68.868 0.001 0.000 0.902 259 T HN 0.172 nan 8.240 nan 0.000 0.528 260 I N 3.397 123.681 120.570 -0.477 0.000 2.307 260 I HA 0.405 4.576 4.170 0.002 0.000 0.287 260 I C 0.355 176.324 176.117 -0.246 0.000 1.054 260 I CA -0.146 60.842 61.300 -0.520 0.000 1.218 260 I CB 0.857 38.377 38.000 -0.800 0.000 1.398 260 I HN 0.492 nan 8.210 nan 0.000 0.475 261 S N 4.741 120.319 115.700 -0.203 0.000 2.533 261 S HA 0.205 4.677 4.470 0.002 0.000 0.271 261 S C -1.058 173.239 174.600 -0.504 0.000 1.143 261 S CA -0.822 57.242 58.200 -0.227 0.000 0.891 261 S CB 1.752 64.928 63.200 -0.041 0.000 1.105 261 S HN 0.607 nan 8.310 nan 0.000 0.468 262 D N 2.257 122.001 120.400 -1.094 0.000 2.493 262 D HA 0.031 4.672 4.640 0.002 0.000 0.240 262 D C 1.656 177.511 176.300 -0.741 0.000 1.142 262 D CA 0.689 54.073 54.000 -1.027 0.000 0.872 262 D CB 1.444 41.234 40.800 -1.684 0.000 1.173 262 D HN 0.746 nan 8.370 nan 0.000 0.467 263 T N 0.613 114.804 114.554 -0.605 0.000 2.929 263 T HA -0.061 4.291 4.350 0.002 0.000 0.271 263 T C 1.742 176.221 174.700 -0.368 0.000 1.085 263 T CA 0.862 62.468 62.100 -0.824 0.000 1.125 263 T CB -0.153 68.019 68.868 -1.159 0.000 0.874 263 T HN 0.401 nan 8.240 nan 0.000 0.494 264 G N -0.189 108.509 108.800 -0.170 0.000 2.744 264 G HA2 0.143 4.105 3.960 0.002 0.000 0.211 264 G HA3 0.143 4.105 3.960 0.002 0.000 0.211 264 G C 0.085 175.207 174.900 0.370 0.000 1.143 264 G CA -0.591 44.594 45.100 0.142 0.000 0.788 264 G HN 0.407 nan 8.290 nan 0.000 0.534 265 W N -0.285 121.043 121.300 0.047 0.000 2.251 265 W HA 0.419 5.080 4.660 0.002 0.000 0.329 265 W C 1.236 177.754 176.519 -0.002 0.000 1.234 265 W CA -1.993 55.342 57.345 -0.018 0.000 1.228 265 W CB 0.563 29.922 29.460 -0.167 0.000 1.135 265 W HN -0.101 nan 8.180 nan 0.000 0.576 266 I N 2.426 122.967 120.570 -0.049 0.000 2.454 266 I HA -0.301 3.870 4.170 0.002 0.000 0.254 266 I C 2.221 178.276 176.117 -0.104 0.000 1.156 266 I CA 0.861 61.920 61.300 -0.401 0.000 1.433 266 I CB -0.089 37.474 38.000 -0.729 0.000 1.082 266 I HN 0.364 nan 8.210 nan 0.000 0.432 267 L N 0.962 122.179 121.223 -0.011 0.000 2.051 267 L HA -0.336 4.005 4.340 0.002 0.000 0.214 267 L C 2.045 178.942 176.870 0.045 0.000 1.076 267 L CA 2.121 56.979 54.840 0.029 0.000 0.758 267 L CB -1.265 40.850 42.059 0.094 0.000 0.890 267 L HN 0.368 nan 8.230 nan 0.000 0.433 268 N N -1.036 117.686 118.700 0.038 0.000 2.166 268 N HA -0.212 4.529 4.740 0.002 0.000 0.186 268 N C 1.879 177.392 175.510 0.006 0.000 1.019 268 N CA 1.298 54.302 53.050 -0.076 0.000 0.856 268 N CB -0.020 38.236 38.487 -0.385 0.000 0.993 268 N HN 0.406 nan 8.380 nan 0.000 0.426 269 I N 0.945 121.591 120.570 0.127 0.000 2.406 269 I HA -0.076 4.095 4.170 0.002 0.000 0.249 269 I C 1.878 178.008 176.117 0.022 0.000 1.122 269 I CA 0.843 62.232 61.300 0.148 0.000 1.431 269 I CB -0.024 38.151 38.000 0.292 0.000 1.087 269 I HN 0.129 nan 8.210 nan 0.000 0.424 270 L N -1.390 119.841 121.223 0.012 0.000 2.162 270 L HA -0.139 4.203 4.340 0.002 0.000 0.205 270 L C 2.435 179.353 176.870 0.079 0.000 1.086 270 L CA 0.871 55.721 54.840 0.017 0.000 0.778 270 L CB -0.384 41.672 42.059 -0.005 0.000 0.928 270 L HN 0.331 nan 8.230 nan 0.000 0.446 271 C N -2.066 117.281 119.300 0.078 0.000 2.469 271 C HA 0.031 4.493 4.460 0.002 0.000 0.309 271 C C 3.193 178.199 174.990 0.028 0.000 1.385 271 C CA 0.692 59.759 59.018 0.082 0.000 1.890 271 C CB 0.412 28.206 27.740 0.090 0.000 2.245 271 C HN 0.471 nan 8.230 nan 0.000 0.530 272 S N -0.301 115.426 115.700 0.045 0.000 2.428 272 S HA -0.005 4.466 4.470 0.002 0.000 0.230 272 S C 1.552 176.148 174.600 -0.007 0.000 1.014 272 S CA 1.434 59.689 58.200 0.093 0.000 0.957 272 S CB -0.139 63.209 63.200 0.246 0.000 0.784 272 S HN 0.628 nan 8.310 nan 0.000 0.499 273 L N -0.875 120.296 121.223 -0.086 0.000 2.541 273 L HA 0.388 4.729 4.340 0.002 0.000 0.187 273 L C 2.184 178.847 176.870 -0.345 0.000 1.098 273 L CA 0.373 54.986 54.840 -0.379 0.000 0.846 273 L CB -0.128 41.848 42.059 -0.138 0.000 1.151 273 L HN 0.268 nan 8.230 nan 0.000 0.492 274 M N -0.328 119.177 119.600 -0.158 0.000 2.287 274 M HA -0.104 4.378 4.480 0.002 0.000 0.266 274 M C 1.938 178.386 176.300 0.247 0.000 1.079 274 M CA 1.244 56.483 55.300 -0.102 0.000 1.146 274 M CB -0.101 32.291 32.600 -0.347 0.000 1.374 274 M HN 0.249 nan 8.290 nan 0.000 0.435 275 E N 1.474 121.771 120.200 0.162 0.000 2.013 275 E HA -0.168 4.183 4.350 0.002 0.000 0.202 275 E C -0.869 175.863 176.600 0.221 0.000 1.018 275 E CA 2.109 58.629 56.400 0.200 0.000 0.834 275 E CB -1.435 28.329 29.700 0.107 0.000 0.770 275 E HN 0.202 nan 8.360 nan 0.000 0.459 276 P HA -0.157 nan 4.420 nan 0.000 0.216 276 P C 0.853 178.436 177.300 0.472 0.000 1.150 276 P CA 1.496 64.725 63.100 0.215 0.000 0.837 276 P CB -0.322 31.445 31.700 0.113 0.000 0.786 277 W N 0.031 121.571 121.300 0.400 0.000 2.678 277 W HA 0.282 4.943 4.660 0.001 0.000 0.256 277 W C 2.495 179.372 176.519 0.597 0.000 1.280 277 W CA 0.163 57.833 57.345 0.541 0.000 1.345 277 W CB -1.744 28.129 29.460 0.689 0.000 1.118 277 W HN 0.007 nan 8.180 nan 0.000 0.629 278 A N -0.050 123.248 122.820 0.796 0.000 1.969 278 A HA -0.063 4.259 4.320 0.002 0.000 0.218 278 A C 1.988 179.939 177.584 0.611 0.000 1.169 278 A CA 1.083 53.513 52.037 0.656 0.000 0.635 278 A CB -0.661 18.673 19.000 0.556 0.000 0.810 278 A HN 0.236 nan 8.150 nan 0.000 0.445 279 L N -1.704 119.761 121.223 0.404 0.000 2.529 279 L HA 0.223 4.564 4.340 0.002 0.000 0.223 279 L C 1.664 178.368 176.870 -0.278 0.000 1.113 279 L CA 0.565 55.538 54.840 0.221 0.000 0.861 279 L CB 0.013 42.157 42.059 0.142 0.000 1.012 279 L HN 0.548 nan 8.230 nan 0.000 0.461 280 G N 0.339 108.703 108.800 -0.726 0.000 2.136 280 G HA2 -0.266 3.696 3.960 0.002 0.000 0.242 280 G HA3 -0.266 3.696 3.960 0.002 0.000 0.242 280 G C 0.371 175.031 174.900 -0.400 0.000 0.989 280 G CA 0.136 44.225 45.100 -1.685 0.000 0.682 280 G HN 0.488 nan 8.290 nan 0.000 0.522 281 A N -1.126 121.723 122.820 0.047 0.000 2.272 281 A HA 0.682 5.003 4.320 0.002 0.000 0.275 281 A C 1.014 178.846 177.584 0.412 0.000 1.096 281 A CA 0.390 52.548 52.037 0.201 0.000 0.822 281 A CB 0.756 19.850 19.000 0.156 0.000 1.088 281 A HN 1.580 nan 8.150 nan 0.000 0.495 282 C N 0.137 119.620 119.300 0.304 0.000 2.388 282 C HA 0.677 5.138 4.460 0.002 0.000 0.362 282 C C 0.810 175.972 174.990 0.287 0.000 1.266 282 C CA 0.067 59.275 59.018 0.317 0.000 2.028 282 C CB 0.034 27.944 27.740 0.283 0.000 2.440 282 C HN 0.856 nan 8.230 nan 0.000 0.547 283 T N 4.914 119.643 114.554 0.291 0.000 2.795 283 T HA 0.503 4.854 4.350 0.002 0.000 0.282 283 T C -0.920 173.865 174.700 0.141 0.000 0.980 283 T CA -0.234 61.950 62.100 0.140 0.000 1.012 283 T CB 0.217 69.033 68.868 -0.087 0.000 0.936 283 T HN 0.544 nan 8.240 nan 0.000 0.457 284 F N 5.507 125.441 119.950 -0.027 0.000 2.404 284 F HA 0.674 5.202 4.527 0.002 0.000 0.339 284 F C -0.779 174.902 175.800 -0.198 0.000 1.105 284 F CA -0.491 57.385 58.000 -0.208 0.000 1.087 284 F CB 1.109 39.855 39.000 -0.424 0.000 1.143 284 F HN 0.286 nan 8.300 nan 0.000 0.491 285 V N 5.899 125.320 119.914 -0.823 0.000 2.577 285 V HA 0.256 4.377 4.120 0.002 0.000 0.303 285 V C -0.896 174.773 176.094 -0.708 0.000 1.042 285 V CA -0.768 61.256 62.300 -0.460 0.000 0.872 285 V CB 1.418 33.019 31.823 -0.370 0.000 0.998 285 V HN 0.679 nan 8.190 nan 0.000 0.423 286 H N 3.893 122.723 119.070 -0.399 0.000 2.459 286 H HA 0.377 4.934 4.556 0.002 0.000 0.332 286 H C 0.483 175.709 175.328 -0.170 0.000 1.094 286 H CA -0.528 55.252 56.048 -0.446 0.000 1.224 286 H CB 2.206 31.796 29.762 -0.287 0.000 1.449 286 H HN 0.617 nan 8.280 nan 0.000 0.484 287 L N 5.447 126.587 121.223 -0.138 0.000 2.013 287 L HA -0.111 4.231 4.340 0.002 0.000 0.212 287 L C 1.271 178.266 176.870 0.208 0.000 1.073 287 L CA 1.348 56.267 54.840 0.131 0.000 0.753 287 L CB -0.504 41.599 42.059 0.073 0.000 0.890 287 L HN 0.864 nan 8.230 nan 0.000 0.432 288 L N -0.077 121.374 121.223 0.380 0.000 3.795 288 L HA -0.214 4.127 4.340 0.002 0.000 0.489 288 L C -1.231 175.683 176.870 0.074 0.000 1.259 288 L CA -0.025 54.877 54.840 0.104 0.000 0.765 288 L CB -1.062 40.957 42.059 -0.068 0.000 1.519 288 L HN 0.338 nan 8.230 nan 0.000 0.842 289 P HA -0.170 nan 4.420 nan 0.000 0.218 289 P C 0.820 178.179 177.300 0.097 0.000 1.148 289 P CA 1.371 64.526 63.100 0.092 0.000 0.822 289 P CB 0.145 31.895 31.700 0.082 0.000 0.784 290 K N -1.864 118.591 120.400 0.091 0.000 2.478 290 K HA 0.171 4.492 4.320 0.002 0.000 0.205 290 K C 0.064 176.779 176.600 0.192 0.000 1.033 290 K CA -0.882 55.474 56.287 0.116 0.000 1.091 290 K CB -0.316 32.229 32.500 0.076 0.000 0.844 290 K HN -0.017 nan 8.250 nan 0.000 0.507 291 F N 2.666 122.612 119.950 -0.007 0.000 2.943 291 F HA -0.274 4.255 4.527 0.002 0.000 0.258 291 F C -0.238 175.549 175.800 -0.022 0.000 0.995 291 F CA 0.293 58.282 58.000 -0.018 0.000 0.896 291 F CB -0.604 38.398 39.000 0.004 0.000 0.821 291 F HN 0.100 nan 8.300 nan 0.000 0.828 292 D N 1.993 122.441 120.400 0.079 0.000 2.317 292 D HA 0.246 4.887 4.640 0.002 0.000 0.234 292 D C -1.412 174.886 176.300 -0.003 0.000 1.112 292 D CA -2.166 51.865 54.000 0.051 0.000 0.840 292 D CB 1.498 42.306 40.800 0.013 0.000 1.078 292 D HN -0.042 nan 8.370 nan 0.000 0.486 293 P HA -0.153 nan 4.420 nan 0.000 0.216 293 P C 1.631 178.909 177.300 -0.037 0.000 1.150 293 P CA 0.345 63.446 63.100 0.002 0.000 0.837 293 P CB 0.374 32.100 31.700 0.044 0.000 0.786 294 L N -0.324 120.875 121.223 -0.041 0.000 2.083 294 L HA -0.107 4.235 4.340 0.002 0.000 0.209 294 L C 2.251 179.035 176.870 -0.143 0.000 1.083 294 L CA 1.666 56.449 54.840 -0.095 0.000 0.752 294 L CB -1.180 40.835 42.059 -0.074 0.000 0.899 294 L HN -0.221 nan 8.230 nan 0.000 0.433 295 V N -0.327 119.519 119.914 -0.113 0.000 2.358 295 V HA -0.293 3.829 4.120 0.002 0.000 0.246 295 V C 2.503 178.503 176.094 -0.157 0.000 1.047 295 V CA 2.062 64.275 62.300 -0.144 0.000 1.035 295 V CB -0.525 31.200 31.823 -0.163 0.000 0.658 295 V HN 0.396 nan 8.190 nan 0.000 0.452 296 I N -0.427 120.070 120.570 -0.121 0.000 2.208 296 I HA -0.275 3.896 4.170 0.002 0.000 0.245 296 I C 2.405 178.519 176.117 -0.005 0.000 1.097 296 I CA 1.540 62.830 61.300 -0.017 0.000 1.363 296 I CB -0.334 37.587 38.000 -0.132 0.000 1.051 296 I HN 0.313 nan 8.210 nan 0.000 0.413 297 L N 0.875 122.056 121.223 -0.071 0.000 2.027 297 L HA -0.166 4.175 4.340 0.002 0.000 0.206 297 L C 2.401 179.215 176.870 -0.093 0.000 1.074 297 L CA 1.859 56.661 54.840 -0.063 0.000 0.745 297 L CB -0.546 41.485 42.059 -0.047 0.000 0.898 297 L HN 0.027 nan 8.230 nan 0.000 0.433 298 K N -1.248 119.017 120.400 -0.225 0.000 2.063 298 K HA -0.162 4.159 4.320 0.002 0.000 0.208 298 K C 1.906 178.504 176.600 -0.003 0.000 1.048 298 K CA 1.982 58.152 56.287 -0.194 0.000 0.928 298 K CB -0.385 31.982 32.500 -0.221 0.000 0.713 298 K HN 0.382 nan 8.250 nan 0.000 0.442 299 T N 1.660 116.201 114.554 -0.021 0.000 2.777 299 T HA -0.069 4.282 4.350 0.002 0.000 0.266 299 T C 1.791 176.457 174.700 -0.057 0.000 1.040 299 T CA 0.911 63.000 62.100 -0.019 0.000 1.141 299 T CB -0.105 68.596 68.868 -0.278 0.000 0.868 299 T HN 0.110 nan 8.240 nan 0.000 0.444 300 L N 0.540 121.743 121.223 -0.033 0.000 2.083 300 L HA -0.076 4.265 4.340 0.002 0.000 0.209 300 L C 2.803 179.759 176.870 0.143 0.000 1.083 300 L CA 0.949 55.750 54.840 -0.066 0.000 0.752 300 L CB -0.394 41.437 42.059 -0.378 0.000 0.899 300 L HN 0.254 nan 8.230 nan 0.000 0.433 301 S N -1.305 114.523 115.700 0.213 0.000 2.414 301 S HA -0.085 4.387 4.470 0.002 0.000 0.227 301 S C 2.051 176.813 174.600 0.270 0.000 1.022 301 S CA 1.308 59.750 58.200 0.403 0.000 0.958 301 S CB 0.110 63.595 63.200 0.475 0.000 0.797 301 S HN 0.377 nan 8.310 nan 0.000 0.493 302 S N -0.506 115.249 115.700 0.092 0.000 2.470 302 S HA 0.286 4.757 4.470 0.002 0.000 0.222 302 S C -0.244 174.124 174.600 -0.386 0.000 1.024 302 S CA 0.058 58.180 58.200 -0.129 0.000 0.931 302 S CB 0.024 63.097 63.200 -0.211 0.000 0.791 302 S HN 0.517 nan 8.310 nan 0.000 0.513 303 Y N 1.398 121.508 120.300 -0.317 0.000 2.446 303 Y HA 0.386 4.937 4.550 0.002 0.000 0.338 303 Y C -2.322 173.178 175.900 -0.666 0.000 1.055 303 Y CA -2.546 55.239 58.100 -0.525 0.000 1.101 303 Y CB 0.903 38.817 38.460 -0.910 0.000 1.221 303 Y HN -0.105 nan 8.280 nan 0.000 0.460 304 P HA 0.027 nan 4.420 nan 0.000 0.238 304 P C -0.514 176.640 177.300 -0.243 0.000 1.714 304 P CA 0.369 63.194 63.100 -0.458 0.000 0.908 304 P CB -0.584 31.035 31.700 -0.136 0.000 1.893 305 I N 1.092 121.509 120.570 -0.255 0.000 2.533 305 I HA 0.075 4.247 4.170 0.002 0.000 0.284 305 I C 1.580 177.766 176.117 0.115 0.000 1.109 305 I CA 0.255 61.491 61.300 -0.107 0.000 1.412 305 I CB 0.713 38.632 38.000 -0.135 0.000 1.396 305 I HN 0.050 nan 8.210 nan 0.000 0.543 306 K N 3.628 124.088 120.400 0.100 0.000 2.214 306 K HA 0.151 4.472 4.320 0.002 0.000 0.201 306 K C 0.365 177.033 176.600 0.114 0.000 1.049 306 K CA 0.649 57.015 56.287 0.133 0.000 0.978 306 K CB 0.449 33.014 32.500 0.107 0.000 0.842 306 K HN 0.624 nan 8.250 nan 0.000 0.474 307 S N 0.703 116.453 115.700 0.083 0.000 2.503 307 S HA 0.539 5.011 4.470 0.002 0.000 0.301 307 S C -0.657 173.978 174.600 0.059 0.000 1.087 307 S CA -0.913 57.321 58.200 0.057 0.000 1.042 307 S CB 1.539 64.741 63.200 0.003 0.000 1.043 307 S HN 0.319 nan 8.310 nan 0.000 0.489 308 M N 1.688 121.310 119.600 0.037 0.000 2.457 308 M HA 0.834 5.316 4.480 0.002 0.000 0.300 308 M C -1.070 175.186 176.300 -0.073 0.000 1.141 308 M CA -0.872 54.408 55.300 -0.034 0.000 0.901 308 M CB 1.920 34.474 32.600 -0.077 0.000 1.687 308 M HN 0.587 nan 8.290 nan 0.000 0.449 309 M N 2.573 122.082 119.600 -0.153 0.000 2.464 309 M HA 0.967 5.448 4.480 0.002 0.000 0.308 309 M C -1.084 175.089 176.300 -0.213 0.000 1.127 309 M CA 0.173 55.405 55.300 -0.113 0.000 0.913 309 M CB 2.515 35.067 32.600 -0.079 0.000 1.689 309 M HN 0.999 nan 8.290 nan 0.000 0.445 310 G N 2.025 110.745 108.800 -0.133 0.000 2.519 310 G HA2 0.666 4.627 3.960 0.002 0.000 0.292 310 G HA3 0.666 4.627 3.960 0.002 0.000 0.292 310 G C -1.818 173.053 174.900 -0.047 0.000 1.507 310 G CA -0.411 44.576 45.100 -0.189 0.000 0.806 310 G HN 1.071 nan 8.290 nan 0.000 0.523 311 A N 1.105 123.912 122.820 -0.022 0.000 2.483 311 A HA 0.621 4.943 4.320 0.002 0.000 0.238 311 A C -0.723 176.893 177.584 0.054 0.000 1.070 311 A CA -0.466 51.571 52.037 -0.001 0.000 0.770 311 A CB 0.197 19.189 19.000 -0.014 0.000 1.008 311 A HN 0.391 nan 8.150 nan 0.000 0.497 312 P HA -0.224 nan 4.420 nan 0.000 0.218 312 P C 1.427 178.793 177.300 0.110 0.000 1.152 312 P CA 1.321 64.489 63.100 0.112 0.000 0.857 312 P CB -0.020 31.701 31.700 0.035 0.000 0.787 313 I N -0.789 119.825 120.570 0.074 0.000 2.248 313 I HA -0.223 3.949 4.170 0.002 0.000 0.248 313 I C 1.926 178.088 176.117 0.074 0.000 1.107 313 I CA 1.507 62.854 61.300 0.079 0.000 1.373 313 I CB -0.678 37.372 38.000 0.084 0.000 1.055 313 I HN -0.223 nan 8.210 nan 0.000 0.418 314 V N -0.048 119.879 119.914 0.022 0.000 2.287 314 V HA -0.342 3.779 4.120 0.002 0.000 0.248 314 V C 2.260 178.244 176.094 -0.184 0.000 1.053 314 V CA 2.254 64.487 62.300 -0.112 0.000 1.027 314 V CB -1.184 30.434 31.823 -0.340 0.000 0.646 314 V HN 0.410 nan 8.190 nan 0.000 0.447 315 Y N 0.377 120.580 120.300 -0.161 0.000 2.224 315 Y HA -0.140 4.411 4.550 0.002 0.000 0.289 315 Y C 2.686 178.582 175.900 -0.006 0.000 1.146 315 Y CA 1.377 59.337 58.100 -0.235 0.000 1.182 315 Y CB -0.426 37.758 38.460 -0.459 0.000 0.983 315 Y HN 0.114 nan 8.280 nan 0.000 0.524 316 R N -0.991 119.605 120.500 0.159 0.000 2.092 316 R HA -0.146 4.195 4.340 0.002 0.000 0.231 316 R C 2.068 178.448 176.300 0.133 0.000 1.119 316 R CA 1.396 57.582 56.100 0.144 0.000 0.970 316 R CB -0.220 30.143 30.300 0.105 0.000 0.864 316 R HN 0.282 nan 8.270 nan 0.000 0.440 317 M N 0.481 120.146 119.600 0.107 0.000 2.132 317 M HA -0.101 4.380 4.480 0.002 0.000 0.263 317 M C 2.303 178.674 176.300 0.118 0.000 1.065 317 M CA 1.494 56.854 55.300 0.101 0.000 1.122 317 M CB -0.762 31.895 32.600 0.096 0.000 1.365 317 M HN 0.166 nan 8.290 nan 0.000 0.411 318 L N -0.372 120.932 121.223 0.134 0.000 2.131 318 L HA -0.205 4.136 4.340 0.002 0.000 0.210 318 L C 2.353 179.382 176.870 0.266 0.000 1.092 318 L CA 0.889 55.850 54.840 0.202 0.000 0.759 318 L CB -0.623 41.602 42.059 0.277 0.000 0.903 318 L HN 0.269 nan 8.230 nan 0.000 0.435 319 L N -0.835 120.565 121.223 0.295 0.000 2.275 319 L HA -0.169 4.173 4.340 0.002 0.000 0.215 319 L C 2.564 179.531 176.870 0.162 0.000 1.119 319 L CA 0.560 55.555 54.840 0.259 0.000 0.790 319 L CB -0.334 41.889 42.059 0.274 0.000 0.919 319 L HN 0.316 nan 8.230 nan 0.000 0.443 320 Q N -0.332 119.551 119.800 0.138 0.000 2.369 320 Q HA -0.022 4.320 4.340 0.002 0.000 0.206 320 Q C 0.850 176.906 176.000 0.093 0.000 0.963 320 Q CA 0.755 56.618 55.803 0.100 0.000 0.894 320 Q CB -0.000 28.789 28.738 0.086 0.000 0.965 320 Q HN 0.506 nan 8.270 nan 0.000 0.475 321 Q N 0.307 120.173 119.800 0.109 0.000 2.189 321 Q HA 0.116 4.457 4.340 0.002 0.000 0.193 321 Q C -0.363 175.702 176.000 0.110 0.000 1.034 321 Q CA -0.199 55.666 55.803 0.102 0.000 1.062 321 Q CB 0.207 29.007 28.738 0.103 0.000 1.118 321 Q HN -0.022 nan 8.270 nan 0.000 0.569 322 D N 0.505 120.978 120.400 0.122 0.000 2.524 322 D HA 0.151 4.792 4.640 0.002 0.000 0.222 322 D C 0.727 177.116 176.300 0.149 0.000 1.142 322 D CA 0.001 54.073 54.000 0.119 0.000 0.973 322 D CB -0.287 40.585 40.800 0.120 0.000 1.025 322 D HN 0.376 nan 8.370 nan 0.000 0.519 323 L N 1.739 123.027 121.223 0.110 0.000 2.191 323 L HA -0.138 4.203 4.340 0.002 0.000 0.212 323 L C 2.326 179.208 176.870 0.020 0.000 1.103 323 L CA 1.090 55.991 54.840 0.101 0.000 0.769 323 L CB -0.620 41.448 42.059 0.015 0.000 0.908 323 L HN 0.392 nan 8.230 nan 0.000 0.438 324 S N -1.443 114.251 115.700 -0.009 0.000 2.406 324 S HA -0.111 4.360 4.470 0.002 0.000 0.228 324 S C 2.076 176.635 174.600 -0.068 0.000 1.020 324 S CA 1.095 59.258 58.200 -0.061 0.000 0.965 324 S CB -0.190 62.979 63.200 -0.052 0.000 0.798 324 S HN 0.311 nan 8.310 nan 0.000 0.488 325 S N 0.325 116.002 115.700 -0.039 0.000 2.368 325 S HA 0.105 4.576 4.470 0.002 0.000 0.224 325 S C -0.131 174.295 174.600 -0.291 0.000 1.029 325 S CA 0.657 58.760 58.200 -0.162 0.000 0.988 325 S CB -0.352 62.758 63.200 -0.150 0.000 0.838 325 S HN 0.648 nan 8.310 nan 0.000 0.462 326 Y N 2.269 122.590 120.300 0.035 0.000 2.717 326 Y HA 0.393 4.944 4.550 0.002 0.000 0.329 326 Y C 0.255 176.215 175.900 0.100 0.000 1.017 326 Y CA -0.678 57.481 58.100 0.098 0.000 1.275 326 Y CB 0.441 38.990 38.460 0.149 0.000 1.109 326 Y HN -0.160 nan 8.280 nan 0.000 0.511 327 K N 3.018 123.456 120.400 0.063 0.000 2.095 327 K HA 0.530 4.852 4.320 0.002 0.000 0.252 327 K C -0.816 175.768 176.600 -0.026 0.000 0.977 327 K CA -0.812 55.354 56.287 -0.203 0.000 0.900 327 K CB 1.425 33.790 32.500 -0.225 0.000 1.060 327 K HN 0.569 nan 8.250 nan 0.000 0.449 328 F N -0.990 118.864 119.950 -0.160 0.000 2.946 328 F HA 0.276 4.804 4.527 0.002 0.000 0.375 328 F C -2.034 173.379 175.800 -0.646 0.000 1.320 328 F CA -1.679 56.036 58.000 -0.476 0.000 1.181 328 F CB 0.735 39.569 39.000 -0.276 0.000 2.051 328 F HN 0.281 nan 8.300 nan 0.000 0.622 329 P HA -0.221 nan 4.420 nan 0.000 0.218 329 P C 1.515 178.738 177.300 -0.128 0.000 1.149 329 P CA 1.876 64.852 63.100 -0.207 0.000 0.817 329 P CB -0.216 31.430 31.700 -0.091 0.000 0.785 330 H N -0.762 118.373 119.070 0.109 0.000 2.457 330 H HA -0.040 4.517 4.556 0.002 0.000 0.297 330 H C 0.898 176.300 175.328 0.124 0.000 1.092 330 H CA 0.060 56.169 56.048 0.102 0.000 1.309 330 H CB -1.025 28.790 29.762 0.088 0.000 1.382 330 H HN 0.112 nan 8.280 nan 0.000 0.535 331 L N 2.318 123.609 121.223 0.113 0.000 2.418 331 L HA 0.181 4.522 4.340 0.002 0.000 0.274 331 L C 1.095 178.072 176.870 0.179 0.000 1.135 331 L CA 0.886 55.858 54.840 0.220 0.000 0.870 331 L CB 0.888 43.139 42.059 0.320 0.000 1.154 331 L HN 0.449 nan 8.230 nan 0.000 0.462 332 Q N 3.677 123.573 119.800 0.160 0.000 2.581 332 Q HA 0.260 4.601 4.340 0.002 0.000 0.222 332 Q C 0.398 176.478 176.000 0.134 0.000 0.904 332 Q CA 0.597 56.477 55.803 0.128 0.000 0.923 332 Q CB -0.218 28.580 28.738 0.100 0.000 1.117 332 Q HN 0.738 nan 8.270 nan 0.000 0.618 333 N N 0.248 119.019 118.700 0.118 0.000 2.444 333 N HA 0.435 5.177 4.740 0.002 0.000 0.262 333 N C -1.449 174.126 175.510 0.109 0.000 0.974 333 N CA -0.215 52.889 53.050 0.090 0.000 0.933 333 N CB 1.510 40.014 38.487 0.029 0.000 1.137 333 N HN 0.460 nan 8.380 nan 0.000 0.498 334 C N 2.398 121.774 119.300 0.127 0.000 2.281 334 C HA 0.552 5.013 4.460 0.002 0.000 0.323 334 C C 0.899 175.898 174.990 0.016 0.000 1.270 334 C CA -0.908 58.184 59.018 0.122 0.000 1.559 334 C CB -0.147 27.694 27.740 0.167 0.000 2.239 334 C HN 0.530 nan 8.230 nan 0.000 0.488 335 V N 1.530 121.461 119.914 0.028 0.000 3.103 335 V HA 0.983 5.105 4.120 0.002 0.000 0.318 335 V C -0.354 175.779 176.094 0.065 0.000 1.114 335 V CA -0.189 62.115 62.300 0.007 0.000 1.020 335 V CB 1.930 33.730 31.823 -0.038 0.000 1.085 335 V HN 0.752 nan 8.190 nan 0.000 0.446 336 T N 0.341 114.933 114.554 0.063 0.000 2.942 336 T HA 0.665 5.016 4.350 0.002 0.000 0.327 336 T C -1.676 173.056 174.700 0.054 0.000 1.360 336 T CA 0.079 62.221 62.100 0.070 0.000 1.055 336 T CB 1.603 70.465 68.868 -0.010 0.000 1.261 336 T HN 1.466 nan 8.240 nan 0.000 0.485 337 V N 2.252 122.176 119.914 0.016 0.000 3.253 337 V HA 0.741 4.863 4.120 0.002 0.000 0.300 337 V C 0.727 176.750 176.094 -0.119 0.000 1.398 337 V CA 0.713 62.994 62.300 -0.031 0.000 1.067 337 V CB 1.754 33.573 31.823 -0.007 0.000 1.102 337 V HN 1.681 nan 8.190 nan 0.000 0.455 338 G N 1.933 110.627 108.800 -0.176 0.000 2.159 338 G HA2 -0.169 3.792 3.960 0.002 0.000 0.256 338 G HA3 -0.169 3.792 3.960 0.002 0.000 0.256 338 G C -0.073 174.684 174.900 -0.238 0.000 0.977 338 G CA 0.943 45.880 45.100 -0.272 0.000 0.652 338 G HN 1.262 nan 8.290 nan 0.000 0.531 339 E N -1.093 118.990 120.200 -0.196 0.000 2.389 339 E HA 0.427 4.779 4.350 0.002 0.000 0.281 339 E C -0.835 175.652 176.600 -0.188 0.000 1.111 339 E CA -0.137 56.150 56.400 -0.189 0.000 0.869 339 E CB 0.501 30.138 29.700 -0.106 0.000 1.259 339 E HN 0.338 nan 8.360 nan 0.000 0.434 340 S N 2.164 117.744 115.700 -0.200 0.000 2.481 340 S HA 0.239 4.710 4.470 0.002 0.000 0.276 340 S C -0.343 174.234 174.600 -0.040 0.000 1.247 340 S CA -0.535 57.582 58.200 -0.138 0.000 1.053 340 S CB 0.061 63.237 63.200 -0.040 0.000 0.925 340 S HN 0.388 nan 8.310 nan 0.000 0.491 341 L N 7.523 128.725 121.223 -0.035 0.000 2.369 341 L HA 0.393 4.734 4.340 0.002 0.000 0.279 341 L C -0.577 176.298 176.870 0.009 0.000 1.108 341 L CA 0.237 55.065 54.840 -0.020 0.000 0.852 341 L CB 0.083 42.117 42.059 -0.040 0.000 1.169 341 L HN 0.617 nan 8.230 nan 0.000 0.452 342 L N 8.199 129.436 121.223 0.024 0.000 2.380 342 L HA 0.219 4.561 4.340 0.002 0.000 0.273 342 L C -1.134 175.760 176.870 0.040 0.000 1.138 342 L CA -1.499 53.365 54.840 0.041 0.000 0.832 342 L CB 0.397 42.487 42.059 0.053 0.000 1.124 342 L HN 0.532 nan 8.230 nan 0.000 0.454 343 P HA -0.222 nan 4.420 nan 0.000 0.217 343 P C 1.279 178.613 177.300 0.056 0.000 1.148 343 P CA 1.099 64.231 63.100 0.053 0.000 0.828 343 P CB 0.233 31.965 31.700 0.054 0.000 0.783 344 E N -0.908 119.325 120.200 0.055 0.000 2.077 344 E HA -0.151 4.201 4.350 0.002 0.000 0.193 344 E C 1.516 178.161 176.600 0.076 0.000 0.989 344 E CA 1.633 58.070 56.400 0.061 0.000 0.800 344 E CB -0.366 29.367 29.700 0.056 0.000 0.746 344 E HN 0.135 nan 8.360 nan 0.000 0.452 345 T N 1.746 116.342 114.554 0.071 0.000 2.701 345 T HA -0.168 4.184 4.350 0.002 0.000 0.263 345 T C 1.810 176.570 174.700 0.099 0.000 1.040 345 T CA 1.200 63.351 62.100 0.085 0.000 1.147 345 T CB -0.405 68.490 68.868 0.045 0.000 0.865 345 T HN 0.141 nan 8.240 nan 0.000 0.426 346 L N 1.584 122.840 121.223 0.055 0.000 1.997 346 L HA -0.146 4.196 4.340 0.002 0.000 0.216 346 L C 2.429 179.375 176.870 0.127 0.000 1.074 346 L CA 2.137 57.016 54.840 0.065 0.000 0.763 346 L CB -0.821 41.265 42.059 0.045 0.000 0.890 346 L HN 0.328 nan 8.230 nan 0.000 0.434 347 E N -0.823 119.437 120.200 0.100 0.000 2.058 347 E HA -0.256 4.095 4.350 0.002 0.000 0.194 347 E C 2.017 178.678 176.600 0.102 0.000 0.997 347 E CA 1.578 58.032 56.400 0.090 0.000 0.801 347 E CB -0.189 29.552 29.700 0.067 0.000 0.746 347 E HN 0.678 nan 8.360 nan 0.000 0.450 348 N N 0.103 118.877 118.700 0.124 0.000 2.084 348 N HA -0.184 4.557 4.740 0.002 0.000 0.190 348 N C 1.727 177.332 175.510 0.159 0.000 1.030 348 N CA 1.082 54.208 53.050 0.126 0.000 0.849 348 N CB -0.425 38.146 38.487 0.141 0.000 1.012 348 N HN 0.417 nan 8.380 nan 0.000 0.423 349 W N 2.693 124.017 121.300 0.040 0.000 2.321 349 W HA -0.197 4.465 4.660 0.002 0.000 0.306 349 W C 2.142 178.686 176.519 0.041 0.000 1.217 349 W CA 1.258 58.636 57.345 0.055 0.000 1.257 349 W CB -0.195 29.277 29.460 0.019 0.000 1.145 349 W HN 0.097 nan 8.180 nan 0.000 0.509 350 R N 0.114 120.699 120.500 0.142 0.000 2.080 350 R HA -0.183 4.158 4.340 0.002 0.000 0.236 350 R C 2.606 178.879 176.300 -0.045 0.000 1.137 350 R CA 2.293 58.415 56.100 0.037 0.000 0.943 350 R CB -1.028 29.315 30.300 0.071 0.000 0.846 350 R HN 0.145 nan 8.270 nan 0.000 0.431 351 A N 0.903 123.712 122.820 -0.018 0.000 1.869 351 A HA -0.257 4.065 4.320 0.002 0.000 0.218 351 A C 2.064 179.592 177.584 -0.094 0.000 1.203 351 A CA 1.646 53.660 52.037 -0.038 0.000 0.638 351 A CB -0.557 18.439 19.000 -0.007 0.000 0.831 351 A HN 0.333 nan 8.150 nan 0.000 0.450 352 Q N -1.387 118.333 119.800 -0.133 0.000 2.187 352 Q HA -0.084 4.258 4.340 0.002 0.000 0.199 352 Q C 2.042 177.854 176.000 -0.312 0.000 0.957 352 Q CA 1.952 57.640 55.803 -0.191 0.000 0.857 352 Q CB -0.285 28.351 28.738 -0.170 0.000 0.929 352 Q HN 0.892 nan 8.270 nan 0.000 0.453 353 T N -4.877 109.417 114.554 -0.434 0.000 2.975 353 T HA 0.326 4.678 4.350 0.002 0.000 0.257 353 T C 1.303 175.812 174.700 -0.319 0.000 1.003 353 T CA 0.730 62.520 62.100 -0.518 0.000 0.932 353 T CB 0.770 69.104 68.868 -0.889 0.000 1.087 353 T HN 0.349 nan 8.240 nan 0.000 0.512 354 G N 1.486 110.157 108.800 -0.216 0.000 2.155 354 G HA2 -0.200 3.761 3.960 0.002 0.000 0.257 354 G HA3 -0.200 3.761 3.960 0.002 0.000 0.257 354 G C -0.135 174.741 174.900 -0.040 0.000 0.983 354 G CA 0.612 45.647 45.100 -0.107 0.000 0.676 354 G HN 0.670 nan 8.290 nan 0.000 0.528 355 L N -0.018 121.192 121.223 -0.021 0.000 2.319 355 L HA 0.590 4.931 4.340 0.002 0.000 0.267 355 L C -0.386 176.625 176.870 0.236 0.000 1.011 355 L CA -1.285 53.633 54.840 0.129 0.000 0.818 355 L CB 1.395 43.604 42.059 0.251 0.000 1.316 355 L HN -0.084 nan 8.230 nan 0.000 0.432 356 D N 1.550 122.074 120.400 0.207 0.000 2.225 356 D HA 0.435 5.076 4.640 0.002 0.000 0.249 356 D C -0.306 176.085 176.300 0.151 0.000 1.052 356 D CA -0.063 54.043 54.000 0.177 0.000 0.909 356 D CB 2.179 43.045 40.800 0.111 0.000 1.186 356 D HN 0.218 nan 8.370 nan 0.000 0.431 357 I N 2.176 122.762 120.570 0.026 0.000 2.312 357 I HA 0.221 4.392 4.170 0.002 0.000 0.290 357 I C 0.599 176.660 176.117 -0.092 0.000 1.008 357 I CA -0.503 60.674 61.300 -0.204 0.000 1.226 357 I CB 0.817 38.493 38.000 -0.539 0.000 1.371 357 I HN -0.027 nan 8.210 nan 0.000 0.468 358 R N 5.379 125.853 120.500 -0.043 0.000 2.229 358 R HA 0.295 4.637 4.340 0.002 0.000 0.328 358 R C -0.192 176.135 176.300 0.046 0.000 1.009 358 R CA -0.538 55.583 56.100 0.035 0.000 0.864 358 R CB 1.612 31.960 30.300 0.080 0.000 1.085 358 R HN 0.591 nan 8.270 nan 0.000 0.453 359 E N 1.767 122.003 120.200 0.060 0.000 2.313 359 E HA 0.198 4.550 4.350 0.002 0.000 0.272 359 E C -0.767 175.900 176.600 0.113 0.000 1.038 359 E CA -0.315 56.122 56.400 0.061 0.000 0.863 359 E CB 1.013 30.741 29.700 0.047 0.000 1.060 359 E HN 0.661 nan 8.360 nan 0.000 0.402 360 S N 2.535 118.301 115.700 0.110 0.000 2.618 360 S HA 0.533 5.004 4.470 0.002 0.000 0.277 360 S C -1.411 173.237 174.600 0.080 0.000 1.138 360 S CA -0.873 57.381 58.200 0.089 0.000 0.844 360 S CB 1.342 64.617 63.200 0.124 0.000 1.127 360 S HN 0.575 nan 8.310 nan 0.000 0.474 361 Y N -0.252 119.967 120.300 -0.135 0.000 2.562 361 Y HA 0.776 5.327 4.550 0.002 0.000 0.345 361 Y C -0.182 175.620 175.900 -0.163 0.000 1.045 361 Y CA 0.456 58.465 58.100 -0.152 0.000 1.028 361 Y CB 1.465 39.846 38.460 -0.132 0.000 1.297 361 Y HN 1.420 nan 8.280 nan 0.000 0.463 362 G N 3.236 111.450 108.800 -0.976 0.000 2.323 362 G HA2 0.479 4.440 3.960 0.002 0.000 0.291 362 G HA3 0.479 4.440 3.960 0.002 0.000 0.291 362 G C -2.232 172.285 174.900 -0.638 0.000 1.278 362 G CA -0.475 44.118 45.100 -0.845 0.000 0.860 362 G HN 0.963 nan 8.290 nan 0.000 0.504 363 Q N -2.028 117.531 119.800 -0.402 0.000 2.534 363 Q HA 0.595 4.936 4.340 0.002 0.000 0.290 363 Q C 0.421 176.280 176.000 -0.235 0.000 0.991 363 Q CA -0.094 55.541 55.803 -0.280 0.000 0.783 363 Q CB 1.068 29.689 28.738 -0.196 0.000 1.470 363 Q HN 0.371 nan 8.270 nan 0.000 0.406 364 T N 0.642 115.071 114.554 -0.209 0.000 2.714 364 T HA -0.229 4.122 4.350 0.002 0.000 0.268 364 T C 0.940 175.523 174.700 -0.194 0.000 1.036 364 T CA 2.439 64.421 62.100 -0.197 0.000 1.148 364 T CB -0.158 68.632 68.868 -0.129 0.000 0.856 364 T HN 0.620 nan 8.240 nan 0.000 0.462 365 E N 0.369 120.336 120.200 -0.387 0.000 2.285 365 E HA -0.019 4.332 4.350 0.002 0.000 0.194 365 E C 2.349 178.602 176.600 -0.578 0.000 0.997 365 E CA 1.312 57.169 56.400 -0.906 0.000 0.845 365 E CB -0.027 29.007 29.700 -1.110 0.000 0.782 365 E HN 0.719 nan 8.360 nan 0.000 0.491 366 T N -3.963 110.424 114.554 -0.277 0.000 2.975 366 T HA 0.430 4.782 4.350 0.002 0.000 0.261 366 T C 1.231 175.924 174.700 -0.012 0.000 0.984 366 T CA 0.056 62.052 62.100 -0.173 0.000 0.911 366 T CB 0.285 69.041 68.868 -0.187 0.000 1.127 366 T HN 0.225 nan 8.240 nan 0.000 0.514 367 G N 2.253 110.999 108.800 -0.091 0.000 2.578 367 G HA2 -0.250 3.711 3.960 0.002 0.000 0.275 367 G HA3 -0.250 3.711 3.960 0.002 0.000 0.275 367 G C -0.242 174.560 174.900 -0.163 0.000 1.271 367 G CA -0.160 44.858 45.100 -0.136 0.000 0.941 367 G HN 0.737 nan 8.290 nan 0.000 0.564 368 L N 1.807 122.893 121.223 -0.228 0.000 2.597 368 L HA 0.244 4.585 4.340 0.002 0.000 0.271 368 L C 1.610 178.339 176.870 -0.235 0.000 1.157 368 L CA 1.044 55.667 54.840 -0.361 0.000 0.928 368 L CB 0.322 42.011 42.059 -0.617 0.000 1.216 368 L HN 0.820 nan 8.230 nan 0.000 0.481 369 T N 2.461 116.917 114.554 -0.163 0.000 3.156 369 T HA 0.121 4.473 4.350 0.002 0.000 0.236 369 T C 0.323 175.029 174.700 0.010 0.000 0.978 369 T CA 0.081 62.213 62.100 0.053 0.000 1.240 369 T CB 0.280 69.117 68.868 -0.052 0.000 0.951 369 T HN 0.564 nan 8.240 nan 0.000 0.420 370 C N 2.750 122.055 119.300 0.008 0.000 2.667 370 C HA 0.954 5.416 4.460 0.002 0.000 0.323 370 C C -0.388 174.576 174.990 -0.042 0.000 1.214 370 C CA -1.046 57.979 59.018 0.012 0.000 1.721 370 C CB 1.538 29.320 27.740 0.070 0.000 2.275 370 C HN 0.687 nan 8.230 nan 0.000 0.491 371 M N 0.317 119.894 119.600 -0.040 0.000 2.790 371 M HA 0.492 4.973 4.480 0.002 0.000 0.272 371 M C -2.208 174.097 176.300 0.008 0.000 1.168 371 M CA -0.387 54.912 55.300 -0.001 0.000 0.829 371 M CB 1.028 33.616 32.600 -0.021 0.000 1.675 371 M HN 0.326 nan 8.290 nan 0.000 0.505 372 V N 3.352 123.304 119.914 0.063 0.000 2.372 372 V HA 0.339 4.461 4.120 0.002 0.000 0.261 372 V C 0.894 177.069 176.094 0.136 0.000 1.055 372 V CA -0.024 62.316 62.300 0.065 0.000 0.930 372 V CB 0.235 32.121 31.823 0.105 0.000 1.031 372 V HN 0.934 nan 8.190 nan 0.000 0.479 373 S N 4.465 120.238 115.700 0.122 0.000 2.608 373 S HA 0.228 4.699 4.470 0.002 0.000 0.261 373 S C 1.217 175.893 174.600 0.128 0.000 1.314 373 S CA -0.326 57.970 58.200 0.161 0.000 0.992 373 S CB 0.945 64.226 63.200 0.136 0.000 0.935 373 S HN 0.677 nan 8.310 nan 0.000 0.564 374 K N 0.295 120.765 120.400 0.116 0.000 2.074 374 K HA -0.140 4.182 4.320 0.002 0.000 0.209 374 K C 1.802 178.453 176.600 0.086 0.000 1.048 374 K CA 1.906 58.247 56.287 0.089 0.000 0.926 374 K CB -0.921 31.623 32.500 0.072 0.000 0.713 374 K HN 0.917 nan 8.250 nan 0.000 0.444 375 T N -1.266 113.339 114.554 0.085 0.000 3.272 375 T HA 0.202 4.554 4.350 0.002 0.000 0.250 375 T C 0.629 175.382 174.700 0.088 0.000 1.082 375 T CA -0.204 61.943 62.100 0.078 0.000 0.968 375 T CB -0.094 68.816 68.868 0.070 0.000 1.015 375 T HN -0.008 nan 8.240 nan 0.000 0.563 376 M N 1.706 121.369 119.600 0.105 0.000 2.367 376 M HA 0.370 4.852 4.480 0.002 0.000 0.339 376 M C 0.280 176.670 176.300 0.149 0.000 1.177 376 M CA -0.803 54.579 55.300 0.137 0.000 1.068 376 M CB 1.673 34.361 32.600 0.147 0.000 1.602 376 M HN -0.010 nan 8.290 nan 0.000 0.457 377 K N 2.922 123.418 120.400 0.160 0.000 2.412 377 K HA 0.251 4.572 4.320 0.002 0.000 0.281 377 K C -0.950 175.753 176.600 0.171 0.000 1.027 377 K CA 0.004 56.359 56.287 0.113 0.000 0.989 377 K CB 0.404 32.923 32.500 0.032 0.000 0.935 377 K HN 0.611 nan 8.250 nan 0.000 0.475 378 I N 4.761 125.406 120.570 0.126 0.000 2.441 378 I HA 0.101 4.273 4.170 0.002 0.000 0.287 378 I C 0.175 176.352 176.117 0.099 0.000 1.049 378 I CA -0.087 61.307 61.300 0.156 0.000 1.381 378 I CB 0.933 39.006 38.000 0.121 0.000 1.409 378 I HN 0.410 nan 8.210 nan 0.000 0.523 379 K N 7.298 127.788 120.400 0.151 0.000 2.507 379 K HA 0.394 4.716 4.320 0.002 0.000 0.253 379 K C -2.540 174.214 176.600 0.256 0.000 0.969 379 K CA -1.776 54.560 56.287 0.082 0.000 0.908 379 K CB 1.582 33.967 32.500 -0.193 0.000 1.127 379 K HN 0.209 nan 8.250 nan 0.000 0.437 380 P HA -0.089 nan 4.420 nan 0.000 0.264 380 P C 0.830 178.264 177.300 0.224 0.000 1.183 380 P CA 1.022 64.227 63.100 0.174 0.000 0.763 380 P CB 0.587 32.356 31.700 0.115 0.000 0.807 381 G N 1.001 109.872 108.800 0.119 0.000 2.225 381 G HA2 -0.259 3.702 3.960 0.002 0.000 0.254 381 G HA3 -0.259 3.702 3.960 0.002 0.000 0.254 381 G C -0.270 174.525 174.900 -0.175 0.000 0.988 381 G CA -0.279 44.804 45.100 -0.029 0.000 0.625 381 G HN 0.473 nan 8.290 nan 0.000 0.527 382 Y N 0.127 120.494 120.300 0.111 0.000 2.420 382 Y HA 0.622 5.173 4.550 0.002 0.000 0.334 382 Y C 1.501 177.485 175.900 0.139 0.000 1.094 382 Y CA -0.461 57.735 58.100 0.159 0.000 1.126 382 Y CB 1.389 40.012 38.460 0.273 0.000 1.217 382 Y HN 0.150 nan 8.280 nan 0.000 0.462 383 M N 0.859 120.601 119.600 0.236 0.000 2.404 383 M HA 0.562 5.043 4.480 0.002 0.000 0.271 383 M C 0.443 176.804 176.300 0.102 0.000 1.128 383 M CA 0.535 55.911 55.300 0.127 0.000 0.982 383 M CB -0.045 32.570 32.600 0.025 0.000 1.445 383 M HN 0.842 nan 8.290 nan 0.000 0.495 384 G N 1.755 110.598 108.800 0.072 0.000 2.512 384 G HA2 -0.182 3.780 3.960 0.002 0.000 0.210 384 G HA3 -0.182 3.780 3.960 0.002 0.000 0.210 384 G C -0.466 174.331 174.900 -0.171 0.000 1.295 384 G CA -0.258 44.684 45.100 -0.262 0.000 0.934 384 G HN 0.765 nan 8.290 nan 0.000 0.554 385 T N -1.898 112.549 114.554 -0.179 0.000 2.883 385 T HA 0.901 5.253 4.350 0.002 0.000 0.284 385 T C 0.578 175.345 174.700 0.111 0.000 1.041 385 T CA 0.628 62.742 62.100 0.022 0.000 1.007 385 T CB 1.490 70.288 68.868 -0.116 0.000 1.220 385 T HN 2.393 nan 8.240 nan 0.000 0.552 386 A N 0.630 123.568 122.820 0.196 0.000 2.511 386 A HA 0.598 4.920 4.320 0.002 0.000 0.242 386 A C 0.903 178.507 177.584 0.035 0.000 1.069 386 A CA -0.182 51.943 52.037 0.146 0.000 0.763 386 A CB -0.960 18.167 19.000 0.211 0.000 1.001 386 A HN 1.405 nan 8.150 nan 0.000 0.498 387 A N 2.196 124.994 122.820 -0.036 0.000 2.406 387 A HA 0.438 4.759 4.320 0.002 0.000 0.243 387 A C 1.714 179.180 177.584 -0.197 0.000 1.082 387 A CA 0.337 52.262 52.037 -0.187 0.000 0.786 387 A CB -0.167 18.611 19.000 -0.371 0.000 1.029 387 A HN 2.015 nan 8.150 nan 0.000 0.495 388 S N 0.816 116.395 115.700 -0.201 0.000 2.359 388 S HA -0.240 4.231 4.470 0.002 0.000 0.222 388 S C 1.872 176.409 174.600 -0.106 0.000 1.038 388 S CA 1.836 59.970 58.200 -0.110 0.000 1.051 388 S CB -1.479 61.672 63.200 -0.082 0.000 0.944 388 S HN 0.786 nan 8.310 nan 0.000 0.433 389 C N 0.615 119.792 119.300 -0.205 0.000 2.318 389 C HA -0.114 4.347 4.460 0.002 0.000 0.272 389 C C 1.166 176.195 174.990 0.065 0.000 1.156 389 C CA 0.631 59.578 59.018 -0.118 0.000 1.783 389 C CB -1.657 25.918 27.740 -0.275 0.000 2.023 389 C HN 0.645 nan 8.230 nan 0.000 0.437 390 Y N 0.880 121.168 120.300 -0.020 0.000 2.335 390 Y HA 0.346 4.897 4.550 0.001 0.000 0.331 390 Y C 0.133 176.055 175.900 0.036 0.000 1.094 390 Y CA -1.161 56.936 58.100 -0.005 0.000 1.253 390 Y CB -0.134 38.316 38.460 -0.018 0.000 1.203 390 Y HN 0.253 nan 8.280 nan 0.000 0.508 391 D N 3.001 123.526 120.400 0.208 0.000 2.456 391 D HA 0.332 4.974 4.640 0.002 0.000 0.219 391 D C -1.098 175.349 176.300 0.245 0.000 1.126 391 D CA -0.103 54.008 54.000 0.185 0.000 0.890 391 D CB 0.237 41.108 40.800 0.118 0.000 1.025 391 D HN 0.188 nan 8.370 nan 0.000 0.511 392 V N 4.452 124.533 119.914 0.280 0.000 2.472 392 V HA 0.480 4.602 4.120 0.002 0.000 0.290 392 V C 0.143 176.500 176.094 0.438 0.000 1.037 392 V CA -0.583 61.884 62.300 0.277 0.000 0.908 392 V CB 1.513 33.367 31.823 0.052 0.000 0.985 392 V HN 0.471 nan 8.190 nan 0.000 0.454 393 Q N 3.097 123.108 119.800 0.352 0.000 2.418 393 Q HA 0.494 4.836 4.340 0.002 0.000 0.282 393 Q C -1.411 174.650 176.000 0.101 0.000 1.044 393 Q CA -0.824 55.132 55.803 0.256 0.000 0.813 393 Q CB 2.950 31.753 28.738 0.108 0.000 1.428 393 Q HN 0.476 nan 8.270 nan 0.000 0.402 394 I N 3.458 124.090 120.570 0.104 0.000 2.379 394 I HA 0.272 4.444 4.170 0.002 0.000 0.290 394 I C 0.696 176.730 176.117 -0.139 0.000 1.063 394 I CA -0.021 61.281 61.300 0.004 0.000 1.351 394 I CB -0.534 37.481 38.000 0.026 0.000 1.410 394 I HN 0.509 nan 8.210 nan 0.000 0.505 395 I N 3.649 124.088 120.570 -0.219 0.000 2.797 395 I HA 0.623 4.795 4.170 0.002 0.000 0.307 395 I C -0.328 175.690 176.117 -0.166 0.000 1.033 395 I CA -0.883 60.253 61.300 -0.273 0.000 1.071 395 I CB 2.199 39.902 38.000 -0.496 0.000 1.255 395 I HN 0.419 nan 8.210 nan 0.000 0.445 396 D N 2.507 122.828 120.400 -0.132 0.000 2.478 396 D HA 0.072 4.714 4.640 0.002 0.000 0.269 396 D C 0.521 176.774 176.300 -0.079 0.000 1.232 396 D CA -0.230 53.716 54.000 -0.089 0.000 1.059 396 D CB 0.412 41.173 40.800 -0.065 0.000 1.104 396 D HN 0.720 nan 8.370 nan 0.000 0.566 397 D N -1.935 118.428 120.400 -0.061 0.000 2.309 397 D HA -0.156 4.486 4.640 0.002 0.000 0.212 397 D C 1.578 177.855 176.300 -0.038 0.000 0.968 397 D CA 2.260 56.229 54.000 -0.052 0.000 0.882 397 D CB -0.702 40.071 40.800 -0.046 0.000 0.918 397 D HN 0.498 nan 8.370 nan 0.000 0.503 398 K N 0.258 120.638 120.400 -0.033 0.000 2.284 398 K HA 0.461 4.783 4.320 0.002 0.000 0.198 398 K C 1.808 178.406 176.600 -0.004 0.000 1.048 398 K CA 0.819 57.097 56.287 -0.015 0.000 0.987 398 K CB -0.619 31.875 32.500 -0.010 0.000 0.800 398 K HN 0.577 nan 8.250 nan 0.000 0.486 399 G N 0.447 109.233 108.800 -0.024 0.000 2.141 399 G HA2 -0.145 3.816 3.960 0.002 0.000 0.164 399 G HA3 -0.145 3.816 3.960 0.002 0.000 0.164 399 G C -0.407 174.487 174.900 -0.010 0.000 1.009 399 G CA -0.066 45.029 45.100 -0.007 0.000 0.677 399 G HN 0.590 nan 8.290 nan 0.000 0.508 400 N N -0.580 118.092 118.700 -0.045 0.000 2.456 400 N HA 0.565 5.307 4.740 0.002 0.000 0.296 400 N C 0.347 175.796 175.510 -0.102 0.000 1.102 400 N CA -0.741 52.292 53.050 -0.029 0.000 0.924 400 N CB 2.219 40.702 38.487 -0.008 0.000 1.186 400 N HN 0.043 nan 8.380 nan 0.000 0.492 401 V N 2.496 122.371 119.914 -0.066 0.000 2.655 401 V HA 0.067 4.188 4.120 0.002 0.000 0.300 401 V C 0.324 176.385 176.094 -0.054 0.000 1.044 401 V CA 0.131 62.379 62.300 -0.087 0.000 1.095 401 V CB 0.139 31.971 31.823 0.015 0.000 0.952 401 V HN 0.451 nan 8.190 nan 0.000 0.485 402 L N 6.779 127.964 121.223 -0.063 0.000 2.334 402 L HA 0.566 4.907 4.340 0.002 0.000 0.270 402 L C -1.933 174.919 176.870 -0.030 0.000 1.018 402 L CA -1.772 53.041 54.840 -0.045 0.000 0.811 402 L CB 1.858 43.884 42.059 -0.054 0.000 1.271 402 L HN 0.482 nan 8.230 nan 0.000 0.443 403 P HA 0.258 nan 4.420 nan 0.000 0.276 403 P C -2.702 174.578 177.300 -0.034 0.000 1.261 403 P CA -1.473 61.612 63.100 -0.025 0.000 0.800 403 P CB -0.458 31.229 31.700 -0.020 0.000 1.066 404 P HA 0.025 nan 4.420 nan 0.000 0.270 404 P C 0.803 178.084 177.300 -0.032 0.000 1.223 404 P CA 0.762 63.834 63.100 -0.046 0.000 0.785 404 P CB -0.134 31.537 31.700 -0.048 0.000 0.923 405 G N 0.281 109.066 108.800 -0.025 0.000 2.153 405 G HA2 -0.177 3.785 3.960 0.002 0.000 0.252 405 G HA3 -0.177 3.785 3.960 0.002 0.000 0.252 405 G C -0.081 174.806 174.900 -0.021 0.000 0.994 405 G CA 0.359 45.450 45.100 -0.014 0.000 0.698 405 G HN 0.744 nan 8.290 nan 0.000 0.521 406 T N 0.018 114.555 114.554 -0.028 0.000 2.841 406 T HA 0.530 4.881 4.350 0.002 0.000 0.285 406 T C -0.233 174.442 174.700 -0.041 0.000 0.991 406 T CA -0.455 61.624 62.100 -0.034 0.000 0.966 406 T CB 2.445 71.292 68.868 -0.035 0.000 0.962 406 T HN 0.410 nan 8.240 nan 0.000 0.438 407 E N 1.844 122.014 120.200 -0.050 0.000 2.354 407 E HA 0.549 4.901 4.350 0.002 0.000 0.269 407 E C 0.237 176.797 176.600 -0.068 0.000 1.036 407 E CA -0.263 56.098 56.400 -0.064 0.000 0.876 407 E CB 0.481 30.131 29.700 -0.082 0.000 1.009 407 E HN 0.866 nan 8.360 nan 0.000 0.416 408 G N 3.200 111.957 108.800 -0.072 0.000 2.677 408 G HA2 0.142 4.104 3.960 0.002 0.000 0.283 408 G HA3 0.142 4.104 3.960 0.002 0.000 0.283 408 G C -1.429 173.419 174.900 -0.087 0.000 1.221 408 G CA -0.649 44.403 45.100 -0.079 0.000 0.851 408 G HN 0.569 nan 8.290 nan 0.000 0.504 409 D N 0.753 121.096 120.400 -0.094 0.000 2.193 409 D HA 0.381 5.023 4.640 0.002 0.000 0.244 409 D C 0.058 176.312 176.300 -0.076 0.000 1.064 409 D CA -0.076 53.867 54.000 -0.095 0.000 0.845 409 D CB 2.396 43.129 40.800 -0.112 0.000 1.148 409 D HN 0.217 nan 8.370 nan 0.000 0.464 410 I N 1.724 122.269 120.570 -0.041 0.000 2.533 410 I HA 0.269 4.441 4.170 0.002 0.000 0.284 410 I C 1.071 177.179 176.117 -0.015 0.000 1.109 410 I CA 0.267 61.561 61.300 -0.010 0.000 1.412 410 I CB 0.802 38.800 38.000 -0.003 0.000 1.396 410 I HN 0.280 nan 8.210 nan 0.000 0.543 411 G N 6.850 115.653 108.800 0.006 0.000 2.660 411 G HA2 0.743 4.704 3.960 0.002 0.000 0.294 411 G HA3 0.743 4.704 3.960 0.002 0.000 0.294 411 G C -1.136 173.954 174.900 0.318 0.000 1.369 411 G CA -0.577 44.594 45.100 0.117 0.000 0.912 411 G HN 0.450 nan 8.290 nan 0.000 0.479 412 I N 0.758 121.557 120.570 0.381 0.000 2.406 412 I HA 0.395 4.566 4.170 0.002 0.000 0.290 412 I C 0.562 176.721 176.117 0.071 0.000 0.999 412 I CA -0.859 60.570 61.300 0.214 0.000 1.124 412 I CB 2.095 40.019 38.000 -0.126 0.000 1.289 412 I HN 0.398 nan 8.210 nan 0.000 0.441 413 R N 4.520 124.851 120.500 -0.282 0.000 2.502 413 R HA 0.118 4.459 4.340 0.002 0.000 0.292 413 R C 0.558 176.654 176.300 -0.340 0.000 0.998 413 R CA 0.236 55.868 56.100 -0.780 0.000 1.056 413 R CB 0.595 30.522 30.300 -0.620 0.000 0.939 413 R HN 0.687 nan 8.270 nan 0.000 0.411 414 V N 0.115 119.859 119.914 -0.282 0.000 3.485 414 V HA 0.316 4.437 4.120 0.002 0.000 0.280 414 V C -0.003 176.020 176.094 -0.119 0.000 1.495 414 V CA -0.030 62.181 62.300 -0.147 0.000 1.018 414 V CB 0.124 31.904 31.823 -0.073 0.000 0.818 414 V HN 0.521 nan 8.190 nan 0.000 0.436 415 K N 1.859 122.174 120.400 -0.141 0.000 2.259 415 K HA 0.540 4.862 4.320 0.002 0.000 0.249 415 K C -2.028 174.508 176.600 -0.106 0.000 0.942 415 K CA -1.633 54.597 56.287 -0.095 0.000 0.816 415 K CB 2.555 35.017 32.500 -0.063 0.000 1.155 415 K HN -0.068 nan 8.250 nan 0.000 0.428 416 P HA -0.008 nan 4.420 nan 0.000 0.221 416 P C 0.079 177.351 177.300 -0.047 0.000 1.155 416 P CA 0.881 63.953 63.100 -0.047 0.000 0.812 416 P CB 0.435 32.116 31.700 -0.032 0.000 0.801 417 I N 1.099 121.639 120.570 -0.050 0.000 2.304 417 I HA 0.249 4.421 4.170 0.002 0.000 0.291 417 I C 0.927 177.012 176.117 -0.054 0.000 1.018 417 I CA -0.988 60.287 61.300 -0.043 0.000 1.260 417 I CB 1.018 39.001 38.000 -0.028 0.000 1.390 417 I HN -0.190 nan 8.210 nan 0.000 0.475 418 R N 8.811 129.278 120.500 -0.056 0.000 2.401 418 R HA 0.259 4.600 4.340 0.002 0.000 0.299 418 R C -2.327 173.954 176.300 -0.031 0.000 1.064 418 R CA -1.129 54.932 56.100 -0.066 0.000 1.000 418 R CB 0.635 30.885 30.300 -0.084 0.000 0.973 418 R HN 0.296 nan 8.270 nan 0.000 0.438 419 P HA 0.067 nan 4.420 nan 0.000 0.276 419 P C -0.268 177.090 177.300 0.098 0.000 1.244 419 P CA -0.217 62.930 63.100 0.079 0.000 0.801 419 P CB 0.698 32.526 31.700 0.215 0.000 1.006 420 I N 1.023 121.631 120.570 0.065 0.000 2.668 420 I HA 0.169 4.341 4.170 0.002 0.000 0.285 420 I C 1.678 177.842 176.117 0.079 0.000 1.168 420 I CA 1.566 62.883 61.300 0.028 0.000 1.424 420 I CB -0.570 37.409 38.000 -0.035 0.000 1.377 420 I HN 0.783 nan 8.210 nan 0.000 0.560 421 G N 5.892 114.745 108.800 0.089 0.000 2.380 421 G HA2 -0.157 3.804 3.960 0.002 0.000 0.197 421 G HA3 -0.157 3.804 3.960 0.002 0.000 0.197 421 G C 0.235 175.253 174.900 0.196 0.000 1.001 421 G CA -0.731 44.450 45.100 0.135 0.000 0.668 421 G HN 0.380 nan 8.290 nan 0.000 0.483 422 I N 2.962 123.600 120.570 0.113 0.000 2.696 422 I HA 0.385 4.556 4.170 0.002 0.000 0.284 422 I C 1.391 177.493 176.117 -0.025 0.000 1.129 422 I CA -0.903 60.369 61.300 -0.048 0.000 1.410 422 I CB -0.227 37.646 38.000 -0.212 0.000 1.399 422 I HN 0.337 nan 8.210 nan 0.000 0.579 423 F N 3.239 122.899 119.950 -0.484 0.000 2.399 423 F HA 0.259 4.786 4.527 0.002 0.000 0.313 423 F C 1.166 176.656 175.800 -0.518 0.000 1.202 423 F CA -0.613 56.967 58.000 -0.699 0.000 1.192 423 F CB 0.429 38.722 39.000 -1.179 0.000 1.256 423 F HN 0.396 nan 8.300 nan 0.000 0.558 424 S N 0.628 115.849 115.700 -0.798 0.000 2.603 424 S HA 0.423 4.894 4.470 0.002 0.000 0.220 424 S C 0.506 174.494 174.600 -1.021 0.000 0.967 424 S CA 0.386 58.158 58.200 -0.713 0.000 0.920 424 S CB -0.560 62.399 63.200 -0.402 0.000 0.773 424 S HN 1.291 nan 8.310 nan 0.000 0.529 425 G N 0.496 108.068 108.800 -2.045 0.000 2.423 425 G HA2 -0.032 3.929 3.960 0.002 0.000 0.684 425 G HA3 -0.032 3.929 3.960 0.002 0.000 0.684 425 G C -1.358 172.981 174.900 -0.936 0.000 1.309 425 G CA -1.226 42.932 45.100 -1.569 0.000 0.950 425 G HN 0.126 nan 8.290 nan 0.000 0.587 426 Y N -0.386 119.810 120.300 -0.173 0.000 2.335 426 Y HA 0.439 4.992 4.550 0.004 0.000 0.331 426 Y C 1.413 177.270 175.900 -0.072 0.000 1.094 426 Y CA -0.419 57.692 58.100 0.019 0.000 1.253 426 Y CB 1.242 39.776 38.460 0.124 0.000 1.203 426 Y HN 0.424 nan 8.280 nan 0.000 0.508 427 V N 4.570 124.519 119.914 0.058 0.000 2.655 427 V HA -0.067 4.054 4.120 0.002 0.000 0.300 427 V C 0.390 176.489 176.094 0.008 0.000 1.044 427 V CA 0.125 62.412 62.300 -0.022 0.000 1.095 427 V CB 0.486 32.268 31.823 -0.068 0.000 0.952 427 V HN 0.956 nan 8.190 nan 0.000 0.485 428 D N 2.475 122.870 120.400 -0.009 0.000 3.028 428 D HA -0.210 4.431 4.640 0.002 0.000 0.211 428 D C 0.547 176.861 176.300 0.022 0.000 1.136 428 D CA 1.563 55.564 54.000 0.001 0.000 0.987 428 D CB -0.941 39.858 40.800 -0.002 0.000 1.128 428 D HN 0.804 nan 8.370 nan 0.000 0.406 429 N N -0.019 118.713 118.700 0.052 0.000 2.757 429 N HA 0.140 4.881 4.740 0.002 0.000 0.296 429 N C -2.109 173.463 175.510 0.104 0.000 1.874 429 N CA -1.058 52.037 53.050 0.076 0.000 0.885 429 N CB 1.375 39.916 38.487 0.090 0.000 1.242 429 N HN 0.013 nan 8.380 nan 0.000 0.488 430 P HA -0.094 nan 4.420 nan 0.000 0.219 430 P C 0.662 178.011 177.300 0.081 0.000 1.146 430 P CA 1.125 64.258 63.100 0.055 0.000 0.808 430 P CB 0.475 32.187 31.700 0.020 0.000 0.779 431 D N -0.129 120.311 120.400 0.067 0.000 2.104 431 D HA -0.149 4.492 4.640 0.002 0.000 0.194 431 D C 1.770 178.122 176.300 0.087 0.000 0.994 431 D CA 1.290 55.326 54.000 0.060 0.000 0.830 431 D CB -0.410 40.411 40.800 0.035 0.000 0.959 431 D HN 0.211 nan 8.370 nan 0.000 0.452 432 K N -0.402 120.060 120.400 0.104 0.000 2.305 432 K HA 0.045 4.367 4.320 0.002 0.000 0.199 432 K C 1.892 178.695 176.600 0.339 0.000 1.047 432 K CA 0.612 56.960 56.287 0.102 0.000 0.976 432 K CB 0.167 32.625 32.500 -0.069 0.000 0.765 432 K HN 0.073 nan 8.250 nan 0.000 0.474 433 T N 1.171 116.010 114.554 0.476 0.000 2.821 433 T HA -0.114 4.237 4.350 0.002 0.000 0.267 433 T C 1.988 176.926 174.700 0.397 0.000 1.046 433 T CA 1.352 63.779 62.100 0.545 0.000 1.139 433 T CB -0.084 68.927 68.868 0.237 0.000 0.871 433 T HN 0.280 nan 8.240 nan 0.000 0.454 434 A N 1.449 124.404 122.820 0.224 0.000 1.897 434 A HA 0.306 4.628 4.320 0.002 0.000 0.215 434 A C 2.625 180.276 177.584 0.112 0.000 1.181 434 A CA 1.482 53.609 52.037 0.150 0.000 0.620 434 A CB -1.041 18.013 19.000 0.091 0.000 0.821 434 A HN 0.477 nan 8.150 nan 0.000 0.443 435 A N -0.029 122.844 122.820 0.089 0.000 2.076 435 A HA -0.172 4.149 4.320 0.002 0.000 0.220 435 A C 1.608 179.172 177.584 -0.033 0.000 1.160 435 A CA 1.805 53.856 52.037 0.024 0.000 0.653 435 A CB -0.506 18.499 19.000 0.008 0.000 0.801 435 A HN 0.498 nan 8.150 nan 0.000 0.455 436 N N -0.860 117.810 118.700 -0.050 0.000 2.280 436 N HA 0.217 4.958 4.740 0.002 0.000 0.192 436 N C -0.387 174.970 175.510 -0.255 0.000 1.109 436 N CA 0.204 53.060 53.050 -0.323 0.000 0.855 436 N CB 0.119 38.111 38.487 -0.826 0.000 0.974 436 N HN 0.453 nan 8.380 nan 0.000 0.482 437 I N 0.668 121.246 120.570 0.014 0.000 2.321 437 I HA 0.257 4.428 4.170 0.002 0.000 0.291 437 I C 0.391 176.542 176.117 0.057 0.000 0.998 437 I CA -0.562 60.800 61.300 0.104 0.000 1.227 437 I CB 1.395 39.505 38.000 0.182 0.000 1.368 437 I HN -0.245 nan 8.210 nan 0.000 0.466 438 R N 5.028 125.568 120.500 0.068 0.000 2.343 438 R HA 0.573 4.914 4.340 0.002 0.000 0.320 438 R C 0.698 177.077 176.300 0.131 0.000 0.956 438 R CA 0.307 56.445 56.100 0.063 0.000 0.836 438 R CB 1.229 31.540 30.300 0.019 0.000 1.151 438 R HN 0.871 nan 8.270 nan 0.000 0.450 439 G N 3.864 112.726 108.800 0.103 0.000 2.629 439 G HA2 -0.382 3.579 3.960 0.002 0.000 0.313 439 G HA3 -0.382 3.579 3.960 0.002 0.000 0.313 439 G C 0.135 175.111 174.900 0.125 0.000 1.217 439 G CA 0.699 45.872 45.100 0.121 0.000 0.994 439 G HN 0.698 nan 8.290 nan 0.000 0.549 440 D N 0.850 121.346 120.400 0.159 0.000 2.342 440 D HA 0.420 5.061 4.640 0.002 0.000 0.221 440 D C 0.114 176.324 176.300 -0.150 0.000 1.101 440 D CA 0.296 54.288 54.000 -0.012 0.000 0.837 440 D CB 0.001 40.729 40.800 -0.119 0.000 0.938 440 D HN 0.170 nan 8.370 nan 0.000 0.508 441 F N 0.043 120.025 119.950 0.053 0.000 2.520 441 F HA 0.291 4.821 4.527 0.005 0.000 0.322 441 F C -0.021 175.850 175.800 0.118 0.000 1.103 441 F CA -1.418 56.624 58.000 0.070 0.000 0.926 441 F CB 1.682 40.705 39.000 0.037 0.000 1.154 441 F HN -0.102 nan 8.300 nan 0.000 0.453 442 W N 6.411 127.781 121.300 0.116 0.000 2.287 442 W HA 0.491 5.153 4.660 0.004 0.000 0.313 442 W C -1.615 174.951 176.519 0.078 0.000 1.267 442 W CA -0.668 56.713 57.345 0.061 0.000 1.201 442 W CB 0.752 30.200 29.460 -0.020 0.000 1.196 442 W HN 0.379 nan 8.180 nan 0.000 0.536 443 L N 7.153 128.062 121.223 -0.523 0.000 2.292 443 L HA 0.123 4.464 4.340 0.002 0.000 0.284 443 L C 0.932 177.392 176.870 -0.683 0.000 1.065 443 L CA -0.682 53.884 54.840 -0.457 0.000 0.806 443 L CB 1.355 43.203 42.059 -0.350 0.000 1.175 443 L HN 0.482 nan 8.230 nan 0.000 0.431 444 L N 2.441 123.498 121.223 -0.278 0.000 2.446 444 L HA 0.190 4.532 4.340 0.002 0.000 0.219 444 L C 1.567 178.373 176.870 -0.108 0.000 1.116 444 L CA 0.944 55.703 54.840 -0.135 0.000 0.844 444 L CB -0.200 41.889 42.059 0.050 0.000 0.970 444 L HN 1.010 nan 8.230 nan 0.000 0.457 445 G N -1.087 107.635 108.800 -0.130 0.000 2.157 445 G HA2 -0.217 3.744 3.960 0.002 0.000 0.248 445 G HA3 -0.217 3.744 3.960 0.002 0.000 0.248 445 G C -0.179 174.699 174.900 -0.035 0.000 0.979 445 G CA -0.039 45.005 45.100 -0.094 0.000 0.650 445 G HN 0.294 nan 8.290 nan 0.000 0.529 446 D N 0.273 120.679 120.400 0.010 0.000 2.256 446 D HA 0.543 5.185 4.640 0.002 0.000 0.246 446 D C 0.622 176.877 176.300 -0.075 0.000 1.042 446 D CA -0.519 53.508 54.000 0.046 0.000 0.841 446 D CB 1.040 42.011 40.800 0.284 0.000 1.223 446 D HN 0.092 nan 8.370 nan 0.000 0.470 447 R N 0.595 120.968 120.500 -0.213 0.000 2.528 447 R HA 0.808 5.149 4.340 0.002 0.000 0.271 447 R C 0.491 176.647 176.300 -0.240 0.000 1.056 447 R CA -0.711 55.255 56.100 -0.224 0.000 1.117 447 R CB 1.285 31.420 30.300 -0.275 0.000 1.085 447 R HN 0.611 nan 8.270 nan 0.000 0.530 448 G N 0.401 109.118 108.800 -0.139 0.000 2.523 448 G HA2 0.527 4.488 3.960 0.002 0.000 0.291 448 G HA3 0.527 4.488 3.960 0.002 0.000 0.291 448 G C -1.381 173.506 174.900 -0.021 0.000 1.450 448 G CA -0.705 44.350 45.100 -0.075 0.000 0.790 448 G HN 0.365 nan 8.290 nan 0.000 0.496 449 I N 0.146 120.718 120.570 0.004 0.000 2.608 449 I HA 0.500 4.671 4.170 0.002 0.000 0.295 449 I C -0.205 175.922 176.117 0.017 0.000 1.049 449 I CA -0.857 60.446 61.300 0.005 0.000 1.063 449 I CB 2.634 40.627 38.000 -0.011 0.000 1.248 449 I HN 0.366 nan 8.210 nan 0.000 0.424 450 K N 4.259 124.614 120.400 -0.075 0.000 2.207 450 K HA 0.326 4.647 4.320 0.002 0.000 0.255 450 K C -1.150 175.391 176.600 -0.098 0.000 0.941 450 K CA -0.641 55.500 56.287 -0.244 0.000 0.825 450 K CB 1.457 33.675 32.500 -0.470 0.000 1.119 450 K HN 0.677 nan 8.250 nan 0.000 0.430 451 D N 1.812 122.168 120.400 -0.073 0.000 2.487 451 D HA 0.005 4.647 4.640 0.002 0.000 0.262 451 D C 0.576 176.819 176.300 -0.095 0.000 1.130 451 D CA -0.279 53.678 54.000 -0.071 0.000 1.038 451 D CB 0.770 41.475 40.800 -0.158 0.000 1.142 451 D HN 0.692 nan 8.370 nan 0.000 0.575 452 E N -0.533 119.609 120.200 -0.098 0.000 2.209 452 E HA -0.178 4.173 4.350 0.002 0.000 0.196 452 E C 0.252 176.817 176.600 -0.059 0.000 0.993 452 E CA 1.085 57.440 56.400 -0.074 0.000 0.819 452 E CB -0.209 29.447 29.700 -0.073 0.000 0.745 452 E HN 0.367 nan 8.360 nan 0.000 0.477 453 D N -0.174 120.186 120.400 -0.068 0.000 2.340 453 D HA 0.106 4.748 4.640 0.002 0.000 0.217 453 D C 0.980 177.349 176.300 0.114 0.000 1.081 453 D CA 0.676 54.682 54.000 0.011 0.000 0.842 453 D CB 0.919 41.698 40.800 -0.036 0.000 0.934 453 D HN 0.381 nan 8.370 nan 0.000 0.511 454 G N 0.813 109.627 108.800 0.023 0.000 2.141 454 G HA2 -0.299 3.663 3.960 0.002 0.000 0.242 454 G HA3 -0.299 3.663 3.960 0.002 0.000 0.242 454 G C 0.001 174.834 174.900 -0.111 0.000 0.982 454 G CA -0.398 44.660 45.100 -0.069 0.000 0.662 454 G HN 0.382 nan 8.290 nan 0.000 0.527 455 Y N -0.457 119.720 120.300 -0.205 0.000 2.377 455 Y HA 0.516 5.068 4.550 0.003 0.000 0.330 455 Y C 0.933 176.791 175.900 -0.069 0.000 1.108 455 Y CA -0.686 57.369 58.100 -0.075 0.000 1.308 455 Y CB 0.423 38.791 38.460 -0.154 0.000 1.216 455 Y HN 0.097 nan 8.280 nan 0.000 0.518 456 F N 2.121 122.228 119.950 0.262 0.000 2.385 456 F HA 0.248 4.776 4.527 0.002 0.000 0.336 456 F C 0.197 176.111 175.800 0.190 0.000 1.100 456 F CA -0.545 57.560 58.000 0.175 0.000 1.116 456 F CB 1.113 40.117 39.000 0.006 0.000 1.166 456 F HN 0.364 nan 8.300 nan 0.000 0.511 457 Q N 4.328 124.226 119.800 0.164 0.000 2.357 457 Q HA 0.288 4.630 4.340 0.002 0.000 0.266 457 Q C -1.196 174.762 176.000 -0.069 0.000 1.021 457 Q CA -0.852 54.853 55.803 -0.163 0.000 0.784 457 Q CB 0.901 29.365 28.738 -0.457 0.000 1.243 457 Q HN 0.628 nan 8.270 nan 0.000 0.465 458 F N 4.831 124.658 119.950 -0.206 0.000 2.578 458 F HA 0.071 4.599 4.527 0.002 0.000 0.376 458 F C 0.245 175.941 175.800 -0.173 0.000 1.085 458 F CA 0.551 58.425 58.000 -0.211 0.000 1.260 458 F CB 0.678 39.543 39.000 -0.225 0.000 1.095 458 F HN 0.663 nan 8.300 nan 0.000 0.573 459 M N 5.320 124.428 119.600 -0.820 0.000 2.416 459 M HA 0.304 4.786 4.480 0.002 0.000 0.337 459 M C 0.309 176.111 176.300 -0.829 0.000 1.074 459 M CA 0.498 55.419 55.300 -0.632 0.000 0.968 459 M CB -0.366 32.010 32.600 -0.374 0.000 1.472 459 M HN 0.810 nan 8.290 nan 0.000 0.539 460 G N 1.428 109.283 108.800 -1.574 0.000 2.539 460 G HA2 -0.082 3.880 3.960 0.002 0.000 0.686 460 G HA3 -0.082 3.880 3.960 0.002 0.000 0.686 460 G C -0.849 173.687 174.900 -0.606 0.000 1.258 460 G CA -1.106 43.419 45.100 -0.957 0.000 0.846 460 G HN 0.175 nan 8.290 nan 0.000 0.647 461 R N 0.239 120.611 120.500 -0.214 0.000 2.590 461 R HA 0.509 4.850 4.340 0.002 0.000 0.274 461 R C 1.548 177.751 176.300 -0.160 0.000 1.061 461 R CA 0.441 56.487 56.100 -0.089 0.000 1.081 461 R CB 0.919 31.201 30.300 -0.030 0.000 0.984 461 R HN 1.173 nan 8.270 nan 0.000 0.448 462 A N 2.011 124.756 122.820 -0.126 0.000 2.123 462 A HA -0.057 4.264 4.320 0.002 0.000 0.214 462 A C 0.471 177.991 177.584 -0.107 0.000 1.152 462 A CA 1.025 52.984 52.037 -0.129 0.000 0.728 462 A CB -0.108 18.821 19.000 -0.119 0.000 0.814 462 A HN 0.781 nan 8.150 nan 0.000 0.464 463 D N -2.224 118.123 120.400 -0.088 0.000 2.723 463 D HA 0.240 4.881 4.640 0.002 0.000 0.247 463 D C -0.571 175.691 176.300 -0.064 0.000 1.134 463 D CA -0.497 53.459 54.000 -0.074 0.000 1.099 463 D CB -0.153 40.607 40.800 -0.066 0.000 1.287 463 D HN -0.161 nan 8.370 nan 0.000 0.634 464 D N -0.672 119.698 120.400 -0.049 0.000 2.328 464 D HA 0.214 4.856 4.640 0.002 0.000 0.226 464 D C 0.259 176.548 176.300 -0.018 0.000 1.066 464 D CA -0.038 53.940 54.000 -0.038 0.000 0.861 464 D CB 0.032 40.812 40.800 -0.034 0.000 0.912 464 D HN 0.341 nan 8.370 nan 0.000 0.521 465 I N 1.102 121.664 120.570 -0.013 0.000 2.638 465 I HA 0.109 4.280 4.170 0.002 0.000 0.286 465 I C 0.537 176.666 176.117 0.020 0.000 1.088 465 I CA -0.140 61.165 61.300 0.008 0.000 1.397 465 I CB 0.960 38.967 38.000 0.010 0.000 1.414 465 I HN -0.311 nan 8.210 nan 0.000 0.566 466 I N 5.699 126.293 120.570 0.040 0.000 2.530 466 I HA 0.305 4.476 4.170 0.002 0.000 0.297 466 I C -0.316 175.840 176.117 0.066 0.000 1.011 466 I CA -0.633 60.703 61.300 0.061 0.000 1.107 466 I CB 1.542 39.584 38.000 0.069 0.000 1.285 466 I HN 0.480 nan 8.210 nan 0.000 0.436 467 N N 3.513 122.255 118.700 0.070 0.000 2.623 467 N HA 0.247 4.989 4.740 0.002 0.000 0.256 467 N C -1.337 174.214 175.510 0.069 0.000 1.045 467 N CA -0.140 52.935 53.050 0.042 0.000 0.863 467 N CB 1.966 40.446 38.487 -0.012 0.000 1.182 467 N HN 0.432 nan 8.380 nan 0.000 0.523 468 S N 0.495 116.257 115.700 0.103 0.000 2.456 468 S HA 0.276 4.748 4.470 0.002 0.000 0.316 468 S C 0.284 174.976 174.600 0.154 0.000 1.089 468 S CA -0.217 58.056 58.200 0.121 0.000 1.101 468 S CB 0.277 63.550 63.200 0.121 0.000 0.995 468 S HN 0.506 nan 8.310 nan 0.000 0.468 469 S N 3.131 118.889 115.700 0.096 0.000 3.521 469 S HA -0.211 4.260 4.470 0.002 0.000 0.362 469 S C 1.199 175.825 174.600 0.044 0.000 1.044 469 S CA 1.206 59.469 58.200 0.105 0.000 1.091 469 S CB -1.755 61.543 63.200 0.164 0.000 0.908 469 S HN 1.858 nan 8.310 nan 0.000 0.473 470 G N -1.524 107.172 108.800 -0.173 0.000 2.241 470 G HA2 -0.335 3.626 3.960 0.002 0.000 0.244 470 G HA3 -0.335 3.626 3.960 0.002 0.000 0.244 470 G C -0.068 174.227 174.900 -1.008 0.000 0.998 470 G CA 0.208 44.910 45.100 -0.663 0.000 0.621 470 G HN 0.655 nan 8.290 nan 0.000 0.519 471 Y N 0.671 120.808 120.300 -0.271 0.000 2.304 471 Y HA 0.643 5.195 4.550 0.003 0.000 0.327 471 Y C 1.077 176.911 175.900 -0.110 0.000 1.209 471 Y CA -0.321 57.675 58.100 -0.172 0.000 1.299 471 Y CB 0.858 39.343 38.460 0.043 0.000 1.249 471 Y HN 0.192 nan 8.280 nan 0.000 0.519 472 R N 3.401 123.957 120.500 0.093 0.000 2.337 472 R HA 0.585 4.927 4.340 0.002 0.000 0.319 472 R C -2.030 174.397 176.300 0.213 0.000 0.954 472 R CA -0.528 55.622 56.100 0.083 0.000 0.840 472 R CB 0.144 30.436 30.300 -0.012 0.000 1.164 472 R HN 0.691 nan 8.270 nan 0.000 0.472 473 I N 3.357 124.038 120.570 0.185 0.000 2.418 473 I HA 0.339 4.511 4.170 0.002 0.000 0.287 473 I C 0.609 176.778 176.117 0.086 0.000 1.008 473 I CA -0.447 60.957 61.300 0.174 0.000 1.104 473 I CB 2.182 40.272 38.000 0.150 0.000 1.264 473 I HN 0.632 nan 8.210 nan 0.000 0.438 474 G N 6.516 115.356 108.800 0.066 0.000 2.390 474 G HA2 0.397 4.359 3.960 0.002 0.000 0.270 474 G HA3 0.397 4.359 3.960 0.002 0.000 0.270 474 G C -1.729 173.173 174.900 0.003 0.000 1.211 474 G CA -0.983 44.134 45.100 0.029 0.000 0.842 474 G HN 0.435 nan 8.290 nan 0.000 0.519 475 P HA -0.065 nan 4.420 nan 0.000 0.217 475 P C 1.835 179.124 177.300 -0.019 0.000 1.151 475 P CA 0.803 63.897 63.100 -0.009 0.000 0.828 475 P CB 0.324 32.020 31.700 -0.008 0.000 0.788 476 S N 0.358 116.046 115.700 -0.021 0.000 2.440 476 S HA -0.157 4.314 4.470 0.002 0.000 0.238 476 S C 1.774 176.350 174.600 -0.041 0.000 1.010 476 S CA 1.268 59.453 58.200 -0.026 0.000 0.972 476 S CB -0.681 62.504 63.200 -0.025 0.000 0.774 476 S HN 0.402 nan 8.310 nan 0.000 0.501 477 E N 0.542 120.712 120.200 -0.051 0.000 2.046 477 E HA -0.059 4.292 4.350 0.002 0.000 0.190 477 E C 2.065 178.620 176.600 -0.075 0.000 0.982 477 E CA 1.097 57.450 56.400 -0.078 0.000 0.800 477 E CB -0.161 29.489 29.700 -0.083 0.000 0.756 477 E HN 0.300 nan 8.360 nan 0.000 0.449 478 V N 1.589 121.465 119.914 -0.064 0.000 2.453 478 V HA -0.202 3.920 4.120 0.002 0.000 0.247 478 V C 1.994 178.069 176.094 -0.032 0.000 1.048 478 V CA 1.682 63.945 62.300 -0.062 0.000 1.049 478 V CB -0.478 31.309 31.823 -0.059 0.000 0.672 478 V HN 0.194 nan 8.190 nan 0.000 0.457 479 E N 0.512 120.700 120.200 -0.020 0.000 2.051 479 E HA -0.203 4.149 4.350 0.002 0.000 0.192 479 E C 2.172 178.776 176.600 0.008 0.000 0.991 479 E CA 1.381 57.780 56.400 -0.001 0.000 0.799 479 E CB -0.222 29.477 29.700 -0.002 0.000 0.748 479 E HN 0.559 nan 8.360 nan 0.000 0.449 480 N N 0.920 119.616 118.700 -0.006 0.000 2.069 480 N HA -0.187 4.554 4.740 0.002 0.000 0.191 480 N C 1.779 177.304 175.510 0.024 0.000 1.031 480 N CA 1.411 54.463 53.050 0.002 0.000 0.852 480 N CB -0.541 37.934 38.487 -0.020 0.000 1.018 480 N HN 0.145 nan 8.380 nan 0.000 0.423 481 A N 1.558 124.375 122.820 -0.004 0.000 1.892 481 A HA -0.136 4.185 4.320 0.002 0.000 0.218 481 A C 2.471 180.137 177.584 0.137 0.000 1.188 481 A CA 1.230 53.261 52.037 -0.010 0.000 0.631 481 A CB -0.937 18.001 19.000 -0.103 0.000 0.822 481 A HN 0.242 nan 8.150 nan 0.000 0.447 482 L N -1.266 120.027 121.223 0.115 0.000 1.994 482 L HA -0.214 4.127 4.340 0.002 0.000 0.208 482 L C 2.721 179.691 176.870 0.167 0.000 1.071 482 L CA 1.295 56.240 54.840 0.175 0.000 0.745 482 L CB -0.463 41.640 42.059 0.074 0.000 0.892 482 L HN 0.337 nan 8.230 nan 0.000 0.431 483 M N -0.542 119.119 119.600 0.100 0.000 2.426 483 M HA -0.226 4.255 4.480 0.002 0.000 0.261 483 M C 1.867 178.212 176.300 0.075 0.000 1.068 483 M CA 1.470 56.810 55.300 0.067 0.000 1.066 483 M CB -1.032 31.593 32.600 0.043 0.000 1.399 483 M HN 0.308 nan 8.290 nan 0.000 0.449 484 E N -1.273 119.015 120.200 0.146 0.000 2.358 484 E HA -0.078 4.274 4.350 0.002 0.000 0.195 484 E C 0.759 177.364 176.600 0.009 0.000 1.010 484 E CA 0.060 56.534 56.400 0.125 0.000 0.856 484 E CB 0.090 29.917 29.700 0.212 0.000 0.795 484 E HN 0.416 nan 8.360 nan 0.000 0.504 485 H N 0.728 119.670 119.070 -0.214 0.000 2.610 485 H HA 0.046 4.604 4.556 0.002 0.000 0.336 485 H C -1.719 173.461 175.328 -0.248 0.000 1.087 485 H CA -1.867 53.916 56.048 -0.441 0.000 1.405 485 H CB 1.475 30.838 29.762 -0.665 0.000 1.460 485 H HN -0.059 nan 8.280 nan 0.000 0.538 486 P HA -0.033 nan 4.420 nan 0.000 0.229 486 P C 0.917 178.101 177.300 -0.193 0.000 1.160 486 P CA 0.761 63.724 63.100 -0.228 0.000 0.777 486 P CB 0.127 31.717 31.700 -0.182 0.000 0.814 487 A N -0.191 122.406 122.820 -0.371 0.000 2.168 487 A HA 0.061 4.382 4.320 0.002 0.000 0.215 487 A C 1.094 178.502 177.584 -0.294 0.000 1.152 487 A CA 0.596 52.177 52.037 -0.760 0.000 0.716 487 A CB -0.696 17.328 19.000 -1.627 0.000 0.794 487 A HN 0.087 nan 8.150 nan 0.000 0.465 488 V N 1.234 121.079 119.914 -0.114 0.000 2.318 488 V HA 0.175 4.296 4.120 0.002 0.000 0.271 488 V C 1.360 177.444 176.094 -0.016 0.000 1.030 488 V CA 0.232 62.508 62.300 -0.041 0.000 0.844 488 V CB 0.960 32.782 31.823 -0.002 0.000 1.015 488 V HN 0.349 nan 8.190 nan 0.000 0.460 489 V N 2.056 121.968 119.914 -0.002 0.000 2.878 489 V HA 0.359 4.480 4.120 0.002 0.000 0.250 489 V C 0.587 176.693 176.094 0.020 0.000 1.075 489 V CA 1.143 63.449 62.300 0.010 0.000 1.096 489 V CB 0.202 32.035 31.823 0.016 0.000 0.724 489 V HN 0.830 nan 8.190 nan 0.000 0.467 490 E N -1.118 119.100 120.200 0.030 0.000 2.375 490 E HA 0.568 4.919 4.350 0.002 0.000 0.280 490 E C -1.374 175.255 176.600 0.048 0.000 0.972 490 E CA -0.310 56.111 56.400 0.035 0.000 0.782 490 E CB 2.429 32.150 29.700 0.036 0.000 1.229 490 E HN 0.277 nan 8.360 nan 0.000 0.439 491 T N 0.588 115.168 114.554 0.043 0.000 2.889 491 T HA 0.774 5.125 4.350 0.002 0.000 0.315 491 T C -2.048 172.677 174.700 0.042 0.000 1.291 491 T CA -0.164 61.968 62.100 0.054 0.000 1.028 491 T CB 1.499 70.393 68.868 0.044 0.000 1.235 491 T HN 0.516 nan 8.240 nan 0.000 0.491 492 A N 2.468 125.324 122.820 0.059 0.000 2.429 492 A HA 0.714 5.035 4.320 0.002 0.000 0.289 492 A C -1.389 176.221 177.584 0.045 0.000 1.043 492 A CA -0.502 51.548 52.037 0.021 0.000 0.722 492 A CB 1.352 20.332 19.000 -0.033 0.000 1.243 492 A HN 0.705 nan 8.150 nan 0.000 0.415 493 V N 4.099 124.026 119.914 0.023 0.000 2.417 493 V HA 0.670 4.791 4.120 0.002 0.000 0.291 493 V C 0.094 176.205 176.094 0.029 0.000 1.024 493 V CA -0.246 62.077 62.300 0.038 0.000 0.861 493 V CB 0.920 32.751 31.823 0.014 0.000 0.985 493 V HN 0.916 nan 8.190 nan 0.000 0.436 494 I N 1.704 122.312 120.570 0.064 0.000 3.239 494 I HA 0.867 5.038 4.170 0.002 0.000 0.314 494 I C 0.281 176.476 176.117 0.129 0.000 1.126 494 I CA -0.709 60.635 61.300 0.074 0.000 0.973 494 I CB 2.434 40.470 38.000 0.060 0.000 1.252 494 I HN 0.576 nan 8.210 nan 0.000 0.463 495 S N 1.597 117.414 115.700 0.195 0.000 2.614 495 S HA 0.661 5.132 4.470 0.002 0.000 0.265 495 S C -0.048 174.832 174.600 0.467 0.000 1.303 495 S CA -0.276 58.114 58.200 0.317 0.000 1.000 495 S CB 1.250 64.671 63.200 0.368 0.000 0.935 495 S HN 0.990 nan 8.310 nan 0.000 0.551 496 S N 1.091 116.982 115.700 0.319 0.000 2.560 496 S HA 0.505 4.976 4.470 0.002 0.000 0.283 496 S C -3.351 170.950 174.600 -0.498 0.000 1.141 496 S CA -1.137 56.942 58.200 -0.201 0.000 0.902 496 S CB 1.750 64.878 63.200 -0.120 0.000 1.104 496 S HN 0.656 nan 8.310 nan 0.000 0.454 497 P HA 0.243 nan 4.420 nan 0.000 0.282 497 P C -1.237 175.844 177.300 -0.365 0.000 1.274 497 P CA -0.007 62.620 63.100 -0.787 0.000 0.770 497 P CB 0.552 31.657 31.700 -0.992 0.000 0.867 498 D N 4.938 125.219 120.400 -0.199 0.000 2.198 498 D HA 0.182 4.824 4.640 0.002 0.000 0.245 498 D C -1.610 174.640 176.300 -0.082 0.000 1.079 498 D CA -2.222 51.705 54.000 -0.122 0.000 0.854 498 D CB 1.749 42.504 40.800 -0.075 0.000 1.148 498 D HN 0.105 nan 8.370 nan 0.000 0.456 499 P HA -0.035 nan 4.420 nan 0.000 0.230 499 P C 1.156 178.452 177.300 -0.007 0.000 1.158 499 P CA 0.346 63.425 63.100 -0.035 0.000 0.769 499 P CB 0.534 32.214 31.700 -0.033 0.000 0.807 500 V N -0.931 118.980 119.914 -0.005 0.000 2.922 500 V HA 0.113 4.234 4.120 0.002 0.000 0.242 500 V C 2.345 178.454 176.094 0.023 0.000 1.094 500 V CA 1.013 63.322 62.300 0.015 0.000 1.106 500 V CB -0.405 31.427 31.823 0.016 0.000 0.799 500 V HN -0.020 nan 8.190 nan 0.000 0.474 501 R N -0.542 119.965 120.500 0.012 0.000 2.175 501 R HA 0.386 4.728 4.340 0.002 0.000 0.202 501 R C 1.449 177.767 176.300 0.031 0.000 1.018 501 R CA 0.989 57.102 56.100 0.021 0.000 1.029 501 R CB 0.650 30.955 30.300 0.008 0.000 0.959 501 R HN 0.560 nan 8.270 nan 0.000 0.480 502 G N 0.941 109.754 108.800 0.021 0.000 2.222 502 G HA2 -0.231 3.731 3.960 0.002 0.000 0.218 502 G HA3 -0.231 3.731 3.960 0.002 0.000 0.218 502 G C -0.875 174.066 174.900 0.067 0.000 1.450 502 G CA -0.314 44.817 45.100 0.052 0.000 1.361 502 G HN 0.236 nan 8.290 nan 0.000 0.474 503 E N 0.658 120.930 120.200 0.121 0.000 2.129 503 E HA 0.542 4.894 4.350 0.002 0.000 0.268 503 E C -0.335 176.327 176.600 0.103 0.000 0.900 503 E CA -0.537 55.980 56.400 0.196 0.000 0.755 503 E CB 1.632 31.511 29.700 0.298 0.000 1.117 503 E HN 1.017 nan 8.360 nan 0.000 0.410 504 V N 1.140 121.085 119.914 0.052 0.000 2.823 504 V HA 0.505 4.627 4.120 0.002 0.000 0.312 504 V C -0.050 176.035 176.094 -0.015 0.000 1.072 504 V CA -1.102 61.191 62.300 -0.011 0.000 0.937 504 V CB 1.554 33.336 31.823 -0.070 0.000 1.013 504 V HN 0.358 nan 8.190 nan 0.000 0.430 505 V N 2.964 122.836 119.914 -0.070 0.000 2.529 505 V HA 0.232 4.354 4.120 0.002 0.000 0.292 505 V C 0.380 176.418 176.094 -0.094 0.000 1.028 505 V CA 0.242 62.498 62.300 -0.074 0.000 1.074 505 V CB 0.514 32.254 31.823 -0.138 0.000 0.958 505 V HN 1.049 nan 8.190 nan 0.000 0.481 506 K N 4.040 124.429 120.400 -0.019 0.000 2.259 506 K HA 0.776 5.097 4.320 0.002 0.000 0.252 506 K C -0.622 176.004 176.600 0.043 0.000 0.936 506 K CA -0.590 55.689 56.287 -0.013 0.000 0.810 506 K CB 1.752 34.280 32.500 0.047 0.000 1.143 506 K HN 0.763 nan 8.250 nan 0.000 0.427 507 A N 4.498 127.305 122.820 -0.021 0.000 2.304 507 A HA 0.520 4.842 4.320 0.002 0.000 0.314 507 A C -1.281 176.297 177.584 -0.010 0.000 1.187 507 A CA -0.677 51.371 52.037 0.018 0.000 0.810 507 A CB 0.146 19.111 19.000 -0.059 0.000 1.183 507 A HN 0.697 nan 8.150 nan 0.000 0.487 508 F N 2.429 122.321 119.950 -0.097 0.000 2.420 508 F HA 0.439 4.968 4.527 0.002 0.000 0.352 508 F C 0.329 176.087 175.800 -0.071 0.000 1.108 508 F CA -0.135 57.810 58.000 -0.091 0.000 1.162 508 F CB 1.579 40.551 39.000 -0.046 0.000 1.118 508 F HN 0.306 nan 8.300 nan 0.000 0.510 509 V N 4.495 124.411 119.914 0.004 0.000 2.667 509 V HA 0.425 4.547 4.120 0.002 0.000 0.308 509 V C -0.439 175.754 176.094 0.165 0.000 1.048 509 V CA -0.941 61.410 62.300 0.086 0.000 0.928 509 V CB 2.044 33.930 31.823 0.105 0.000 1.004 509 V HN 0.373 nan 8.190 nan 0.000 0.444 510 V N 5.085 125.077 119.914 0.130 0.000 2.334 510 V HA 0.380 4.501 4.120 0.002 0.000 0.281 510 V C -0.019 176.123 176.094 0.080 0.000 1.016 510 V CA -0.358 62.009 62.300 0.112 0.000 0.832 510 V CB 1.345 33.215 31.823 0.079 0.000 0.999 510 V HN 0.617 nan 8.190 nan 0.000 0.439 511 L N 4.479 125.746 121.223 0.073 0.000 2.380 511 L HA 0.475 4.817 4.340 0.002 0.000 0.273 511 L C 1.090 177.972 176.870 0.020 0.000 1.138 511 L CA -0.069 54.770 54.840 -0.002 0.000 0.832 511 L CB 0.960 42.976 42.059 -0.072 0.000 1.124 511 L HN 0.737 nan 8.230 nan 0.000 0.454 512 A N 2.112 124.946 122.820 0.023 0.000 2.507 512 A HA 0.072 4.394 4.320 0.002 0.000 0.235 512 A C 1.368 179.008 177.584 0.094 0.000 1.070 512 A CA 0.427 52.508 52.037 0.073 0.000 0.768 512 A CB 0.265 19.337 19.000 0.121 0.000 1.011 512 A HN 0.939 nan 8.150 nan 0.000 0.502 513 S N 0.439 116.178 115.700 0.064 0.000 2.419 513 S HA -0.190 4.282 4.470 0.002 0.000 0.233 513 S C 1.117 175.739 174.600 0.038 0.000 1.016 513 S CA 1.675 59.900 58.200 0.042 0.000 0.974 513 S CB -0.372 62.843 63.200 0.025 0.000 0.786 513 S HN 0.716 nan 8.310 nan 0.000 0.492 514 Q N -0.300 119.529 119.800 0.049 0.000 2.282 514 Q HA 0.412 4.753 4.340 0.002 0.000 0.205 514 Q C 0.089 175.990 176.000 -0.165 0.000 0.915 514 Q CA 0.287 56.068 55.803 -0.037 0.000 0.949 514 Q CB -0.324 28.381 28.738 -0.055 0.000 1.035 514 Q HN 0.700 nan 8.270 nan 0.000 0.484 515 F N -1.912 117.959 119.950 -0.133 0.000 2.798 515 F HA 0.251 4.779 4.527 0.003 0.000 0.328 515 F C 0.992 176.676 175.800 -0.193 0.000 1.098 515 F CA -0.192 57.649 58.000 -0.265 0.000 1.172 515 F CB 0.592 39.413 39.000 -0.298 0.000 1.072 515 F HN 0.007 nan 8.300 nan 0.000 0.555 516 L N -0.045 121.199 121.223 0.034 0.000 2.042 516 L HA -0.233 4.109 4.340 0.002 0.000 0.210 516 L C 2.243 179.115 176.870 0.004 0.000 1.076 516 L CA 1.967 56.801 54.840 -0.010 0.000 0.749 516 L CB -0.508 41.550 42.059 -0.002 0.000 0.893 516 L HN 0.161 nan 8.230 nan 0.000 0.432 517 S N -2.546 113.180 115.700 0.045 0.000 2.710 517 S HA 0.042 4.513 4.470 0.002 0.000 0.224 517 S C 0.553 175.199 174.600 0.075 0.000 0.948 517 S CA -0.424 57.800 58.200 0.041 0.000 0.949 517 S CB -0.748 62.462 63.200 0.016 0.000 0.778 517 S HN 0.327 nan 8.310 nan 0.000 0.498 518 H N 1.941 120.975 119.070 -0.059 0.000 2.551 518 H HA 0.117 4.675 4.556 0.002 0.000 0.358 518 H C -0.175 175.129 175.328 -0.040 0.000 1.151 518 H CA -0.434 55.590 56.048 -0.040 0.000 1.374 518 H CB 0.622 30.392 29.762 0.015 0.000 1.473 518 H HN 0.270 nan 8.280 nan 0.000 0.574 519 D N 3.681 124.091 120.400 0.016 0.000 2.455 519 D HA -0.049 4.593 4.640 0.002 0.000 0.265 519 D C -1.688 174.656 176.300 0.074 0.000 1.284 519 D CA -1.013 53.003 54.000 0.026 0.000 0.944 519 D CB 0.856 41.656 40.800 -0.000 0.000 1.121 519 D HN 0.364 nan 8.370 nan 0.000 0.525 520 P HA -0.122 nan 4.420 nan 0.000 0.218 520 P C 1.065 178.479 177.300 0.189 0.000 1.148 520 P CA 0.925 64.116 63.100 0.152 0.000 0.822 520 P CB 0.376 32.182 31.700 0.177 0.000 0.784 521 E N -0.716 119.552 120.200 0.114 0.000 2.031 521 E HA -0.198 4.153 4.350 0.002 0.000 0.193 521 E C 2.353 179.010 176.600 0.093 0.000 0.994 521 E CA 1.231 57.685 56.400 0.089 0.000 0.800 521 E CB -0.359 29.374 29.700 0.054 0.000 0.752 521 E HN 0.104 nan 8.360 nan 0.000 0.447 522 Q N 0.102 119.953 119.800 0.086 0.000 2.084 522 Q HA -0.141 4.200 4.340 0.002 0.000 0.202 522 Q C 2.246 178.320 176.000 0.124 0.000 0.978 522 Q CA 1.180 57.036 55.803 0.088 0.000 0.844 522 Q CB -0.602 28.178 28.738 0.071 0.000 0.898 522 Q HN 0.336 nan 8.270 nan 0.000 0.426 523 L N 0.555 121.877 121.223 0.165 0.000 2.079 523 L HA -0.151 4.191 4.340 0.002 0.000 0.210 523 L C 2.154 179.127 176.870 0.172 0.000 1.081 523 L CA 2.433 57.383 54.840 0.182 0.000 0.752 523 L CB -1.163 40.987 42.059 0.151 0.000 0.896 523 L HN 0.329 nan 8.230 nan 0.000 0.433 524 T N -0.817 113.863 114.554 0.210 0.000 2.701 524 T HA -0.180 4.171 4.350 0.002 0.000 0.263 524 T C 2.048 176.794 174.700 0.077 0.000 1.040 524 T CA 1.642 63.829 62.100 0.144 0.000 1.147 524 T CB -0.096 68.830 68.868 0.096 0.000 0.865 524 T HN 0.237 nan 8.240 nan 0.000 0.426 525 K N 0.971 121.415 120.400 0.073 0.000 2.044 525 K HA -0.127 4.194 4.320 0.002 0.000 0.210 525 K C 2.295 178.917 176.600 0.036 0.000 1.049 525 K CA 1.533 57.848 56.287 0.047 0.000 0.927 525 K CB -0.550 31.974 32.500 0.040 0.000 0.713 525 K HN 0.607 nan 8.250 nan 0.000 0.443 526 E N 0.044 120.274 120.200 0.050 0.000 2.038 526 E HA -0.159 4.192 4.350 0.002 0.000 0.195 526 E C 2.154 178.751 176.600 -0.006 0.000 1.000 526 E CA 1.580 58.006 56.400 0.043 0.000 0.803 526 E CB -0.144 29.603 29.700 0.078 0.000 0.750 526 E HN 0.332 nan 8.360 nan 0.000 0.448 527 L N 0.530 121.718 121.223 -0.058 0.000 2.083 527 L HA -0.244 4.097 4.340 0.002 0.000 0.209 527 L C 2.722 179.605 176.870 0.022 0.000 1.083 527 L CA 1.297 56.074 54.840 -0.105 0.000 0.752 527 L CB -0.338 41.659 42.059 -0.104 0.000 0.899 527 L HN 0.225 nan 8.230 nan 0.000 0.433 528 Q N -0.734 119.092 119.800 0.044 0.000 2.020 528 Q HA -0.242 4.099 4.340 0.002 0.000 0.202 528 Q C 2.317 178.306 176.000 -0.020 0.000 0.982 528 Q CA 1.336 57.191 55.803 0.085 0.000 0.838 528 Q CB -0.151 28.663 28.738 0.126 0.000 0.899 528 Q HN 0.423 nan 8.270 nan 0.000 0.423 529 Q N -0.122 119.653 119.800 -0.042 0.000 2.152 529 Q HA -0.233 4.108 4.340 0.002 0.000 0.206 529 Q C 1.926 177.925 176.000 -0.002 0.000 0.985 529 Q CA 1.824 57.597 55.803 -0.050 0.000 0.863 529 Q CB -0.533 28.197 28.738 -0.014 0.000 0.904 529 Q HN 0.548 nan 8.270 nan 0.000 0.422 530 H N 0.397 119.451 119.070 -0.028 0.000 2.319 530 H HA -0.075 4.483 4.556 0.003 0.000 0.299 530 H C 1.912 177.236 175.328 -0.007 0.000 1.092 530 H CA 1.793 57.844 56.048 0.005 0.000 1.302 530 H CB -0.131 29.642 29.762 0.017 0.000 1.373 530 H HN -0.002 nan 8.280 nan 0.000 0.497 531 V N 0.908 120.687 119.914 -0.225 0.000 2.343 531 V HA -0.217 3.904 4.120 0.002 0.000 0.247 531 V C 2.299 178.279 176.094 -0.190 0.000 1.051 531 V CA 2.225 64.379 62.300 -0.243 0.000 1.036 531 V CB -0.403 31.381 31.823 -0.064 0.000 0.654 531 V HN 0.443 nan 8.190 nan 0.000 0.451 532 K N 0.526 120.839 120.400 -0.146 0.000 2.209 532 K HA -0.131 4.191 4.320 0.002 0.000 0.204 532 K C 2.282 178.805 176.600 -0.129 0.000 1.048 532 K CA 1.587 57.782 56.287 -0.153 0.000 0.940 532 K CB -0.224 32.153 32.500 -0.205 0.000 0.729 532 K HN 0.632 nan 8.250 nan 0.000 0.451 533 S N 0.103 115.729 115.700 -0.124 0.000 2.458 533 S HA -0.050 4.422 4.470 0.002 0.000 0.223 533 S C 1.909 176.450 174.600 -0.099 0.000 1.019 533 S CA 0.625 58.774 58.200 -0.086 0.000 0.937 533 S CB 0.042 63.218 63.200 -0.040 0.000 0.788 533 S HN 0.165 nan 8.310 nan 0.000 0.511 534 V N -2.285 117.530 119.914 -0.165 0.000 3.621 534 V HA 0.447 4.569 4.120 0.002 0.000 0.263 534 V C 0.549 176.567 176.094 -0.125 0.000 1.272 534 V CA 0.649 62.861 62.300 -0.147 0.000 1.080 534 V CB -0.046 31.639 31.823 -0.230 0.000 0.816 534 V HN 0.478 nan 8.190 nan 0.000 0.451 535 T N -0.236 114.232 114.554 -0.144 0.000 2.762 535 T HA 0.698 5.049 4.350 0.002 0.000 0.301 535 T C -0.436 174.172 174.700 -0.155 0.000 1.299 535 T CA 0.095 62.113 62.100 -0.136 0.000 1.005 535 T CB 1.466 70.240 68.868 -0.156 0.000 1.377 535 T HN 1.013 nan 8.240 nan 0.000 0.504 536 A N 2.416 125.134 122.820 -0.170 0.000 2.565 536 A HA 0.388 4.710 4.320 0.002 0.000 0.237 536 A C -1.680 175.726 177.584 -0.297 0.000 1.053 536 A CA -0.503 51.428 52.037 -0.176 0.000 0.755 536 A CB -0.352 18.603 19.000 -0.075 0.000 0.980 536 A HN 0.671 nan 8.150 nan 0.000 0.506 537 P HA -0.156 nan 4.420 nan 0.000 0.218 537 P C 1.093 178.325 177.300 -0.114 0.000 1.149 537 P CA 1.641 64.663 63.100 -0.131 0.000 0.817 537 P CB -0.187 31.453 31.700 -0.100 0.000 0.785 538 Y N 1.489 121.662 120.300 -0.212 0.000 2.365 538 Y HA -0.170 4.382 4.550 0.003 0.000 0.287 538 Y C 1.423 177.211 175.900 -0.186 0.000 1.162 538 Y CA 1.001 58.881 58.100 -0.368 0.000 1.260 538 Y CB -1.474 36.289 38.460 -1.163 0.000 0.976 538 Y HN 0.021 nan 8.280 nan 0.000 0.548 539 K N 0.641 120.657 120.400 -0.641 0.000 2.446 539 K HA 0.069 4.390 4.320 0.002 0.000 0.203 539 K C -0.461 176.022 176.600 -0.195 0.000 1.027 539 K CA -0.504 55.559 56.287 -0.373 0.000 1.166 539 K CB -0.747 31.459 32.500 -0.490 0.000 0.869 539 K HN 0.476 nan 8.250 nan 0.000 0.504 540 Y N 1.606 121.781 120.300 -0.208 0.000 2.359 540 Y HA 0.327 4.878 4.550 0.002 0.000 0.330 540 Y C -2.416 173.426 175.900 -0.097 0.000 1.143 540 Y CA -3.154 54.858 58.100 -0.147 0.000 1.318 540 Y CB 0.293 38.672 38.460 -0.135 0.000 1.234 540 Y HN -0.039 nan 8.280 nan 0.000 0.522 541 P HA 0.046 nan 4.420 nan 0.000 0.260 541 P C -0.303 176.664 177.300 -0.555 0.000 1.207 541 P CA 0.284 63.180 63.100 -0.340 0.000 0.780 541 P CB 0.729 32.345 31.700 -0.140 0.000 0.789 542 R N 2.224 122.328 120.500 -0.660 0.000 2.193 542 R HA 0.049 4.391 4.340 0.002 0.000 0.213 542 R C 0.669 176.852 176.300 -0.196 0.000 1.055 542 R CA 0.808 56.613 56.100 -0.491 0.000 0.995 542 R CB 0.100 30.169 30.300 -0.385 0.000 0.893 542 R HN 0.488 nan 8.270 nan 0.000 0.459 543 K N 1.086 121.369 120.400 -0.195 0.000 2.270 543 K HA 0.482 4.803 4.320 0.002 0.000 0.255 543 K C -0.696 175.780 176.600 -0.206 0.000 0.936 543 K CA -0.439 55.746 56.287 -0.170 0.000 0.809 543 K CB 2.410 34.813 32.500 -0.162 0.000 1.131 543 K HN -0.099 nan 8.250 nan 0.000 0.427 544 I N 1.738 122.149 120.570 -0.266 0.000 2.499 544 I HA 0.254 4.425 4.170 0.002 0.000 0.288 544 I C -0.650 175.103 176.117 -0.607 0.000 1.048 544 I CA -0.615 60.431 61.300 -0.423 0.000 1.062 544 I CB 2.113 39.836 38.000 -0.462 0.000 1.238 544 I HN 0.611 nan 8.210 nan 0.000 0.426 545 E N 6.104 125.875 120.200 -0.716 0.000 2.191 545 E HA 0.460 4.811 4.350 0.002 0.000 0.263 545 E C -1.542 174.644 176.600 -0.690 0.000 0.881 545 E CA -0.662 55.306 56.400 -0.719 0.000 0.757 545 E CB 1.558 30.805 29.700 -0.755 0.000 1.147 545 E HN 0.280 nan 8.360 nan 0.000 0.414 546 F N 3.048 122.895 119.950 -0.172 0.000 2.399 546 F HA 0.338 4.867 4.527 0.003 0.000 0.342 546 F C 0.557 176.317 175.800 -0.067 0.000 1.106 546 F CA -0.389 57.555 58.000 -0.094 0.000 1.196 546 F CB 1.162 40.131 39.000 -0.052 0.000 1.163 546 F HN 0.203 nan 8.300 nan 0.000 0.547 547 V N 0.702 120.721 119.914 0.176 0.000 3.188 547 V HA 0.474 4.595 4.120 0.002 0.000 0.305 547 V C -0.314 175.853 176.094 0.122 0.000 1.232 547 V CA -1.052 61.329 62.300 0.134 0.000 1.043 547 V CB 1.802 33.722 31.823 0.161 0.000 1.068 547 V HN 0.721 nan 8.190 nan 0.000 0.439 548 L N 0.973 122.252 121.223 0.094 0.000 2.249 548 L HA 0.403 4.745 4.340 0.002 0.000 0.207 548 L C 1.320 178.230 176.870 0.067 0.000 1.090 548 L CA 1.598 56.480 54.840 0.072 0.000 0.802 548 L CB -0.542 41.550 42.059 0.054 0.000 0.947 548 L HN 1.006 nan 8.230 nan 0.000 0.453 549 N N -0.221 118.522 118.700 0.073 0.000 2.380 549 N HA 0.769 5.511 4.740 0.002 0.000 0.290 549 N C -1.110 174.446 175.510 0.077 0.000 1.236 549 N CA -0.553 52.534 53.050 0.062 0.000 0.780 549 N CB 1.522 40.036 38.487 0.045 0.000 1.438 549 N HN 0.026 nan 8.380 nan 0.000 0.491 550 L N 1.286 122.540 121.223 0.052 0.000 2.385 550 L HA 0.581 4.922 4.340 0.002 0.000 0.273 550 L C -2.111 174.760 176.870 0.002 0.000 0.990 550 L CA -1.763 53.098 54.840 0.034 0.000 0.821 550 L CB 2.697 44.773 42.059 0.029 0.000 1.279 550 L HN 0.547 nan 8.230 nan 0.000 0.412 551 P HA 0.136 nan 4.420 nan 0.000 0.268 551 P C -1.350 175.929 177.300 -0.033 0.000 1.204 551 P CA -0.092 62.991 63.100 -0.028 0.000 0.768 551 P CB 0.907 32.579 31.700 -0.048 0.000 0.842 552 K N 1.353 121.739 120.400 -0.023 0.000 2.263 552 K HA 0.518 4.840 4.320 0.002 0.000 0.249 552 K C 0.238 176.824 176.600 -0.022 0.000 1.076 552 K CA -0.705 55.568 56.287 -0.023 0.000 0.884 552 K CB 0.200 32.691 32.500 -0.014 0.000 1.394 552 K HN 0.254 nan 8.250 nan 0.000 0.476 553 T N 0.657 115.199 114.554 -0.021 0.000 2.788 553 T HA 0.083 4.434 4.350 0.002 0.000 0.280 553 T C 1.398 176.090 174.700 -0.014 0.000 0.984 553 T CA -0.454 61.635 62.100 -0.019 0.000 0.972 553 T CB 0.647 69.503 68.868 -0.020 0.000 1.039 553 T HN 0.479 nan 8.240 nan 0.000 0.530 554 V N -1.034 118.873 119.914 -0.012 0.000 3.573 554 V HA 0.044 4.165 4.120 0.002 0.000 0.270 554 V C 1.755 177.844 176.094 -0.008 0.000 1.221 554 V CA 1.218 63.513 62.300 -0.009 0.000 1.163 554 V CB -1.645 30.173 31.823 -0.008 0.000 0.847 554 V HN 1.040 nan 8.190 nan 0.000 0.468 555 T N -4.039 110.509 114.554 -0.009 0.000 3.040 555 T HA 0.529 4.880 4.350 0.002 0.000 0.250 555 T C 1.643 176.339 174.700 -0.007 0.000 1.058 555 T CA 0.889 62.984 62.100 -0.008 0.000 0.988 555 T CB 0.685 69.547 68.868 -0.010 0.000 0.993 555 T HN 1.287 nan 8.240 nan 0.000 0.519 556 G N 1.448 110.243 108.800 -0.008 0.000 2.284 556 G HA2 -0.184 3.777 3.960 0.002 0.000 0.216 556 G HA3 -0.184 3.777 3.960 0.002 0.000 0.216 556 G C 0.019 174.914 174.900 -0.010 0.000 1.009 556 G CA -0.462 44.634 45.100 -0.007 0.000 0.625 556 G HN 0.503 nan 8.290 nan 0.000 0.501 557 K N 1.391 121.783 120.400 -0.013 0.000 2.401 557 K HA 0.455 4.776 4.320 0.002 0.000 0.278 557 K C 1.048 177.634 176.600 -0.023 0.000 1.018 557 K CA -0.354 55.923 56.287 -0.017 0.000 0.981 557 K CB 0.714 33.202 32.500 -0.019 0.000 0.933 557 K HN 0.474 nan 8.250 nan 0.000 0.477 558 I N 2.380 122.934 120.570 -0.026 0.000 2.754 558 I HA -0.086 4.086 4.170 0.002 0.000 0.285 558 I C 0.901 176.988 176.117 -0.050 0.000 1.166 558 I CA 0.271 61.549 61.300 -0.037 0.000 1.417 558 I CB 0.307 38.285 38.000 -0.036 0.000 1.382 558 I HN 0.252 nan 8.210 nan 0.000 0.588 559 Q N 5.830 125.591 119.800 -0.064 0.000 2.673 559 Q HA 0.239 4.580 4.340 0.002 0.000 0.224 559 Q C 0.682 176.620 176.000 -0.103 0.000 1.226 559 Q CA -0.247 55.512 55.803 -0.073 0.000 1.019 559 Q CB 0.762 29.460 28.738 -0.066 0.000 1.312 559 Q HN 0.491 nan 8.270 nan 0.000 0.566 560 R N 0.648 121.091 120.500 -0.095 0.000 2.115 560 R HA -0.121 4.220 4.340 0.002 0.000 0.230 560 R C 2.060 178.300 176.300 -0.101 0.000 1.111 560 R CA 1.213 57.247 56.100 -0.111 0.000 0.976 560 R CB -0.097 30.155 30.300 -0.080 0.000 0.870 560 R HN 0.509 nan 8.270 nan 0.000 0.445 561 A N 1.745 124.516 122.820 -0.082 0.000 1.873 561 A HA -0.260 4.061 4.320 0.002 0.000 0.218 561 A C 2.054 179.596 177.584 -0.070 0.000 1.193 561 A CA 1.664 53.656 52.037 -0.075 0.000 0.629 561 A CB -0.478 18.480 19.000 -0.069 0.000 0.826 561 A HN 0.214 nan 8.150 nan 0.000 0.447 562 K N -0.579 119.776 120.400 -0.076 0.000 2.103 562 K HA -0.105 4.217 4.320 0.002 0.000 0.207 562 K C 1.831 178.379 176.600 -0.088 0.000 1.048 562 K CA 1.511 57.756 56.287 -0.070 0.000 0.930 562 K CB -0.276 32.182 32.500 -0.070 0.000 0.716 562 K HN 0.537 nan 8.250 nan 0.000 0.444 563 L N -0.295 120.835 121.223 -0.155 0.000 2.209 563 L HA -0.040 4.302 4.340 0.002 0.000 0.207 563 L C 2.680 179.490 176.870 -0.099 0.000 1.094 563 L CA 0.613 55.298 54.840 -0.258 0.000 0.790 563 L CB -0.293 41.423 42.059 -0.571 0.000 0.932 563 L HN 0.150 nan 8.230 nan 0.000 0.447 564 R N 0.514 120.998 120.500 -0.026 0.000 2.062 564 R HA -0.163 4.178 4.340 0.002 0.000 0.231 564 R C 1.851 178.275 176.300 0.207 0.000 1.136 564 R CA 1.917 58.093 56.100 0.127 0.000 0.948 564 R CB -0.073 30.245 30.300 0.031 0.000 0.845 564 R HN 0.239 nan 8.270 nan 0.000 0.430 565 D N 0.391 120.837 120.400 0.078 0.000 2.104 565 D HA -0.204 4.437 4.640 0.002 0.000 0.194 565 D C 1.651 178.018 176.300 0.113 0.000 0.994 565 D CA 1.288 55.339 54.000 0.085 0.000 0.830 565 D CB -0.202 40.608 40.800 0.017 0.000 0.959 565 D HN 0.264 nan 8.370 nan 0.000 0.452 566 K N 0.606 121.050 120.400 0.074 0.000 2.032 566 K HA -0.241 4.081 4.320 0.002 0.000 0.209 566 K C 2.011 178.671 176.600 0.100 0.000 1.048 566 K CA 1.486 57.817 56.287 0.073 0.000 0.927 566 K CB -0.014 32.520 32.500 0.056 0.000 0.712 566 K HN -0.089 nan 8.250 nan 0.000 0.441 567 E N 0.121 120.402 120.200 0.135 0.000 2.058 567 E HA -0.175 4.176 4.350 0.002 0.000 0.194 567 E C 0.058 176.654 176.600 -0.006 0.000 0.997 567 E CA 1.463 57.912 56.400 0.082 0.000 0.801 567 E CB -0.149 29.619 29.700 0.114 0.000 0.746 567 E HN 0.362 nan 8.360 nan 0.000 0.450 568 W N 2.638 123.944 121.300 0.010 0.000 1.395 568 W HA 0.263 4.925 4.660 0.003 0.000 0.451 568 W C -0.040 176.477 176.519 -0.003 0.000 0.619 568 W CA -0.168 57.179 57.345 0.002 0.000 2.212 568 W CB -0.664 28.792 29.460 -0.007 0.000 1.537 568 W HN -0.054 nan 8.180 nan 0.000 0.275 569 K N 0.000 120.460 120.400 0.100 0.000 2.780 569 K HA 0.000 4.321 4.320 0.002 0.000 0.191 569 K CA 0.000 56.329 56.287 0.070 0.000 0.838 569 K CB 0.000 32.538 32.500 0.063 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543