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 3eq6_1_B 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 0.000 175.310 175.328 -0.029 0.000 0.993 37 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 37 H CB 0.000 29.748 29.762 -0.024 0.000 1.292 38 Q N 2.325 121.698 119.800 -0.712 0.000 2.389 38 Q HA 0.247 4.588 4.340 0.001 0.000 0.277 38 Q C -1.106 174.564 176.000 -0.549 0.000 1.082 38 Q CA -0.855 54.643 55.803 -0.508 0.000 0.810 38 Q CB 2.887 31.483 28.738 -0.237 0.000 1.374 38 Q HN 0.584 nan 8.270 nan 0.000 0.422 39 E N 1.821 121.844 120.200 -0.294 0.000 2.400 39 E HA 0.300 4.651 4.350 0.001 0.000 0.232 39 E C -0.644 175.902 176.600 -0.091 0.000 0.988 39 E CA -0.270 56.037 56.400 -0.154 0.000 0.823 39 E CB 0.964 30.622 29.700 -0.070 0.000 1.246 39 E HN 0.346 nan 8.360 nan 0.000 0.441 40 V N -0.735 119.131 119.914 -0.080 0.000 3.141 40 V HA 0.660 4.780 4.120 0.001 0.000 0.312 40 V C -2.388 173.695 176.094 -0.019 0.000 1.157 40 V CA -2.339 59.930 62.300 -0.052 0.000 1.041 40 V CB 1.169 32.960 31.823 -0.054 0.000 1.071 40 V HN 0.259 nan 8.190 nan 0.000 0.441 41 P HA 0.290 nan 4.420 nan 0.000 0.270 41 P C 0.760 178.084 177.300 0.040 0.000 1.223 41 P CA 0.355 63.474 63.100 0.032 0.000 0.785 41 P CB 1.087 32.828 31.700 0.069 0.000 0.923 42 A N 2.461 125.301 122.820 0.034 0.000 1.972 42 A HA -0.097 4.223 4.320 0.001 0.000 0.219 42 A C 0.964 178.577 177.584 0.048 0.000 1.169 42 A CA 1.329 53.385 52.037 0.031 0.000 0.635 42 A CB -0.349 18.662 19.000 0.019 0.000 0.810 42 A HN 0.595 nan 8.150 nan 0.000 0.446 43 K N -2.202 118.236 120.400 0.064 0.000 2.375 43 K HA 0.654 4.974 4.320 0.001 0.000 0.249 43 K C -1.798 174.908 176.600 0.177 0.000 0.942 43 K CA -0.503 55.826 56.287 0.070 0.000 0.806 43 K CB 2.247 34.751 32.500 0.007 0.000 1.227 43 K HN 0.187 nan 8.250 nan 0.000 0.430 44 F N 1.406 121.351 119.950 -0.010 0.000 2.650 44 F HA 0.345 4.873 4.527 0.001 0.000 0.310 44 F C -1.801 174.018 175.800 0.033 0.000 1.112 44 F CA -0.614 57.408 58.000 0.036 0.000 0.986 44 F CB 1.863 40.922 39.000 0.099 0.000 1.285 44 F HN 0.460 nan 8.300 nan 0.000 0.440 45 N N 5.285 123.544 118.700 -0.735 0.000 2.542 45 N HA 0.122 4.863 4.740 0.001 0.000 0.288 45 N C -0.222 174.992 175.510 -0.493 0.000 1.115 45 N CA -0.328 52.497 53.050 -0.374 0.000 0.924 45 N CB 1.205 39.545 38.487 -0.244 0.000 1.526 45 N HN 0.712 nan 8.380 nan 0.000 0.515 46 F N 3.943 123.781 119.950 -0.186 0.000 2.161 46 F HA -0.113 4.415 4.527 0.001 0.000 0.300 46 F C 2.085 177.917 175.800 0.052 0.000 1.089 46 F CA 2.206 60.214 58.000 0.013 0.000 1.282 46 F CB 0.139 39.319 39.000 0.299 0.000 1.010 46 F HN 0.692 nan 8.300 nan 0.000 0.485 47 A N -0.245 122.685 122.820 0.184 0.000 1.845 47 A HA -0.214 4.107 4.320 0.001 0.000 0.215 47 A C 2.374 179.945 177.584 -0.023 0.000 1.195 47 A CA 2.468 54.578 52.037 0.121 0.000 0.616 47 A CB -1.449 17.646 19.000 0.158 0.000 0.832 47 A HN 0.478 nan 8.150 nan 0.000 0.443 48 S N -0.594 115.059 115.700 -0.078 0.000 2.414 48 S HA -0.086 4.385 4.470 0.001 0.000 0.227 48 S C 1.160 175.655 174.600 -0.175 0.000 1.022 48 S CA 1.213 59.350 58.200 -0.104 0.000 0.958 48 S CB -0.294 62.844 63.200 -0.102 0.000 0.797 48 S HN 0.502 nan 8.310 nan 0.000 0.493 49 D N 0.654 120.875 120.400 -0.298 0.000 2.333 49 D HA 0.209 4.850 4.640 0.001 0.000 0.208 49 D C 1.647 177.780 176.300 -0.279 0.000 0.984 49 D CA 0.493 54.302 54.000 -0.319 0.000 0.873 49 D CB 0.620 41.118 40.800 -0.504 0.000 0.935 49 D HN 0.425 nan 8.370 nan 0.000 0.521 50 V N -0.063 119.648 119.914 -0.338 0.000 3.134 50 V HA 0.020 4.141 4.120 0.001 0.000 0.222 50 V C 2.003 177.989 176.094 -0.180 0.000 1.247 50 V CA -0.077 62.019 62.300 -0.340 0.000 1.281 50 V CB -0.179 31.189 31.823 -0.759 0.000 1.169 50 V HN -0.011 nan 8.190 nan 0.000 0.512 51 L N 1.007 122.143 121.223 -0.146 0.000 1.989 51 L HA -0.183 4.158 4.340 0.001 0.000 0.211 51 L C 2.063 178.989 176.870 0.093 0.000 1.071 51 L CA 2.325 57.239 54.840 0.122 0.000 0.749 51 L CB -0.689 41.472 42.059 0.170 0.000 0.890 51 L HN 0.340 nan 8.230 nan 0.000 0.431 52 D N -1.859 118.550 120.400 0.015 0.000 2.263 52 D HA -0.222 4.419 4.640 0.001 0.000 0.208 52 D C 1.973 178.249 176.300 -0.040 0.000 0.971 52 D CA 1.089 55.092 54.000 0.005 0.000 0.867 52 D CB -0.273 40.523 40.800 -0.006 0.000 0.929 52 D HN 0.599 nan 8.370 nan 0.000 0.492 53 H N -1.054 117.873 119.070 -0.237 0.000 2.353 53 H HA -0.144 4.412 4.556 0.001 0.000 0.300 53 H C 1.672 176.771 175.328 -0.381 0.000 1.090 53 H CA 1.277 57.097 56.048 -0.379 0.000 1.327 53 H CB -0.209 29.207 29.762 -0.577 0.000 1.383 53 H HN 0.247 nan 8.280 nan 0.000 0.508 54 W N 0.750 121.816 121.300 -0.390 0.000 2.418 54 W HA 0.062 4.723 4.660 0.001 0.000 0.292 54 W C 3.001 179.362 176.519 -0.262 0.000 1.213 54 W CA 0.712 57.727 57.345 -0.550 0.000 1.283 54 W CB -0.066 28.819 29.460 -0.959 0.000 1.119 54 W HN 0.262 nan 8.180 nan 0.000 0.542 55 A N 0.622 123.503 122.820 0.103 0.000 1.877 55 A HA -0.221 4.100 4.320 0.001 0.000 0.216 55 A C 1.687 179.291 177.584 0.033 0.000 1.186 55 A CA 2.115 54.218 52.037 0.109 0.000 0.620 55 A CB -0.893 18.168 19.000 0.102 0.000 0.822 55 A HN 0.129 nan 8.150 nan 0.000 0.443 56 D N -0.757 119.632 120.400 -0.019 0.000 2.123 56 D HA -0.180 4.461 4.640 0.001 0.000 0.196 56 D C 1.890 178.170 176.300 -0.033 0.000 0.992 56 D CA 1.575 55.559 54.000 -0.025 0.000 0.833 56 D CB -0.376 40.404 40.800 -0.034 0.000 0.954 56 D HN 0.493 nan 8.370 nan 0.000 0.455 57 M N 0.543 120.093 119.600 -0.084 0.000 2.108 57 M HA -0.198 4.283 4.480 0.001 0.000 0.261 57 M C 1.851 178.150 176.300 -0.001 0.000 1.066 57 M CA 1.549 56.808 55.300 -0.068 0.000 1.107 57 M CB 0.103 32.613 32.600 -0.149 0.000 1.356 57 M HN -0.041 nan 8.290 nan 0.000 0.406 58 E N -0.311 119.905 120.200 0.027 0.000 2.047 58 E HA -0.205 4.146 4.350 0.001 0.000 0.191 58 E C 1.967 178.584 176.600 0.029 0.000 0.987 58 E CA 1.239 57.666 56.400 0.045 0.000 0.799 58 E CB -0.098 29.649 29.700 0.078 0.000 0.752 58 E HN 0.497 nan 8.360 nan 0.000 0.449 59 K N 0.418 120.833 120.400 0.024 0.000 2.103 59 K HA -0.130 4.190 4.320 0.001 0.000 0.207 59 K C 1.964 178.570 176.600 0.010 0.000 1.048 59 K CA 1.228 57.526 56.287 0.017 0.000 0.930 59 K CB -0.105 32.403 32.500 0.015 0.000 0.716 59 K HN 0.048 nan 8.250 nan 0.000 0.444 60 A N 0.213 123.036 122.820 0.005 0.000 2.238 60 A HA 0.182 4.502 4.320 0.001 0.000 0.208 60 A C 1.368 178.956 177.584 0.007 0.000 1.177 60 A CA 0.794 52.833 52.037 0.003 0.000 0.804 60 A CB -0.288 18.711 19.000 -0.002 0.000 0.823 60 A HN 0.431 nan 8.150 nan 0.000 0.482 61 G N -0.223 108.584 108.800 0.012 0.000 2.168 61 G HA2 -0.334 3.627 3.960 0.001 0.000 0.257 61 G HA3 -0.334 3.627 3.960 0.001 0.000 0.257 61 G C 0.840 175.750 174.900 0.017 0.000 0.997 61 G CA 0.971 46.080 45.100 0.015 0.000 0.708 61 G HN 0.582 nan 8.290 nan 0.000 0.520 62 K N -0.848 119.562 120.400 0.017 0.000 2.365 62 K HA 0.143 4.463 4.320 0.001 0.000 0.197 62 K C 1.321 177.942 176.600 0.035 0.000 1.042 62 K CA 0.515 56.815 56.287 0.022 0.000 0.987 62 K CB 0.377 32.886 32.500 0.015 0.000 0.779 62 K HN 0.390 nan 8.250 nan 0.000 0.484 63 R N 0.966 121.490 120.500 0.040 0.000 2.673 63 R HA 0.255 4.596 4.340 0.001 0.000 0.281 63 R C -2.867 173.462 176.300 0.049 0.000 0.991 63 R CA -2.114 54.020 56.100 0.056 0.000 0.896 63 R CB 1.645 31.995 30.300 0.084 0.000 1.201 63 R HN -0.181 nan 8.270 nan 0.000 0.457 64 P HA 0.202 nan 4.420 nan 0.000 0.272 64 P C -2.656 174.676 177.300 0.053 0.000 1.240 64 P CA -1.573 61.550 63.100 0.039 0.000 0.791 64 P CB -0.133 31.585 31.700 0.030 0.000 0.978 65 P HA 0.066 nan 4.420 nan 0.000 0.258 65 P C -0.464 176.873 177.300 0.062 0.000 1.187 65 P CA 0.895 64.028 63.100 0.055 0.000 0.767 65 P CB -0.034 31.677 31.700 0.017 0.000 0.770 66 S N 5.546 121.323 115.700 0.128 0.000 2.501 66 S HA 0.550 5.020 4.470 0.001 0.000 0.301 66 S C -2.538 172.123 174.600 0.101 0.000 1.096 66 S CA -1.607 56.676 58.200 0.139 0.000 1.063 66 S CB 1.038 64.351 63.200 0.189 0.000 1.042 66 S HN 0.252 nan 8.310 nan 0.000 0.494 67 P HA 0.270 nan 4.420 nan 0.000 0.271 67 P C -0.227 177.005 177.300 -0.115 0.000 1.226 67 P CA -0.051 63.028 63.100 -0.035 0.000 0.765 67 P CB 0.793 32.505 31.700 0.020 0.000 0.835 68 A N 4.167 126.750 122.820 -0.394 0.000 1.969 68 A HA 0.238 4.559 4.320 0.001 0.000 0.205 68 A C 0.243 177.836 177.584 0.015 0.000 1.364 68 A CA 0.754 52.377 52.037 -0.690 0.000 0.756 68 A CB -0.251 17.651 19.000 -1.830 0.000 0.988 68 A HN 0.479 nan 8.150 nan 0.000 0.490 69 L N -0.590 120.654 121.223 0.035 0.000 2.349 69 L HA 0.645 4.985 4.340 0.001 0.000 0.278 69 L C -1.880 175.164 176.870 0.290 0.000 0.996 69 L CA -0.691 54.249 54.840 0.166 0.000 0.825 69 L CB 1.635 43.681 42.059 -0.020 0.000 1.243 69 L HN 0.383 nan 8.230 nan 0.000 0.412 70 W N 6.977 128.264 121.300 -0.022 0.000 2.424 70 W HA 0.404 5.064 4.660 0.001 0.000 0.318 70 W C -1.913 174.375 176.519 -0.386 0.000 1.016 70 W CA -1.733 55.552 57.345 -0.100 0.000 1.268 70 W CB 1.232 30.655 29.460 -0.062 0.000 1.297 70 W HN 0.685 nan 8.180 nan 0.000 0.428 71 W N 8.213 129.491 121.300 -0.037 0.000 2.606 71 W HA 0.615 5.276 4.660 0.001 0.000 0.332 71 W C -1.105 175.197 176.519 -0.362 0.000 1.052 71 W CA -0.796 56.334 57.345 -0.357 0.000 1.223 71 W CB 1.412 30.793 29.460 -0.132 0.000 1.383 71 W HN 0.284 nan 8.180 nan 0.000 0.524 72 V N 4.300 123.354 119.914 -1.434 0.000 2.760 72 V HA 0.466 4.587 4.120 0.001 0.000 0.309 72 V C -0.097 174.897 176.094 -1.834 0.000 1.077 72 V CA -0.755 60.727 62.300 -1.363 0.000 0.910 72 V CB 1.878 33.031 31.823 -1.117 0.000 1.008 72 V HN 0.792 nan 8.190 nan 0.000 0.424 73 N N 2.210 120.078 118.700 -1.386 0.000 2.280 73 N HA 0.240 4.980 4.740 0.001 0.000 0.192 73 N C 1.348 176.595 175.510 -0.439 0.000 1.109 73 N CA 0.844 53.373 53.050 -0.868 0.000 0.855 73 N CB 0.752 38.985 38.487 -0.424 0.000 0.974 73 N HN 1.974 nan 8.380 nan 0.000 0.482 74 G N 0.666 109.172 108.800 -0.489 0.000 2.212 74 G HA2 -0.358 3.603 3.960 0.001 0.000 0.266 74 G HA3 -0.358 3.603 3.960 0.001 0.000 0.266 74 G C 0.649 175.523 174.900 -0.042 0.000 0.978 74 G CA 0.672 45.703 45.100 -0.115 0.000 0.632 74 G HN 0.512 nan 8.290 nan 0.000 0.537 75 K N 0.007 120.363 120.400 -0.074 0.000 2.440 75 K HA 0.458 4.779 4.320 0.001 0.000 0.206 75 K C 1.652 178.243 176.600 -0.014 0.000 1.025 75 K CA 0.401 56.676 56.287 -0.020 0.000 1.135 75 K CB 0.543 33.042 32.500 -0.001 0.000 0.856 75 K HN 1.199 nan 8.250 nan 0.000 0.502 76 G N 1.869 110.651 108.800 -0.030 0.000 2.176 76 G HA2 -0.273 3.688 3.960 0.001 0.000 0.232 76 G HA3 -0.273 3.688 3.960 0.001 0.000 0.232 76 G C -0.096 174.805 174.900 0.002 0.000 0.986 76 G CA -0.144 44.953 45.100 -0.005 0.000 0.643 76 G HN 0.243 nan 8.290 nan 0.000 0.522 77 K N 1.194 121.581 120.400 -0.022 0.000 2.183 77 K HA 0.662 4.983 4.320 0.001 0.000 0.274 77 K C -0.169 176.432 176.600 0.002 0.000 1.009 77 K CA -0.345 55.970 56.287 0.047 0.000 0.888 77 K CB 0.680 33.280 32.500 0.166 0.000 1.078 77 K HN 0.290 nan 8.250 nan 0.000 0.459 78 E N 3.841 124.106 120.200 0.109 0.000 2.292 78 E HA 0.401 4.752 4.350 0.001 0.000 0.272 78 E C -1.233 175.492 176.600 0.208 0.000 0.881 78 E CA -0.811 55.685 56.400 0.162 0.000 0.754 78 E CB 1.879 31.708 29.700 0.215 0.000 1.201 78 E HN 0.365 nan 8.360 nan 0.000 0.425 79 L N 2.571 123.982 121.223 0.314 0.000 2.401 79 L HA 0.612 4.953 4.340 0.001 0.000 0.266 79 L C -0.754 176.157 176.870 0.069 0.000 0.991 79 L CA -0.713 54.172 54.840 0.076 0.000 0.818 79 L CB 2.193 44.269 42.059 0.029 0.000 1.321 79 L HN 0.385 nan 8.230 nan 0.000 0.413 80 M N 2.731 122.196 119.600 -0.225 0.000 2.386 80 M HA 0.423 4.904 4.480 0.001 0.000 0.293 80 M C -2.228 173.955 176.300 -0.194 0.000 1.120 80 M CA -0.242 54.995 55.300 -0.105 0.000 0.909 80 M CB 2.653 35.058 32.600 -0.326 0.000 1.661 80 M HN 0.583 nan 8.290 nan 0.000 0.452 81 W N 4.048 125.253 121.300 -0.159 0.000 2.587 81 W HA 0.272 4.933 4.660 0.001 0.000 0.324 81 W C 0.007 176.366 176.519 -0.265 0.000 1.040 81 W CA -0.710 56.522 57.345 -0.188 0.000 1.222 81 W CB 1.752 31.095 29.460 -0.196 0.000 1.381 81 W HN 0.705 nan 8.180 nan 0.000 0.483 82 N N 0.209 118.890 118.700 -0.031 0.000 2.366 82 N HA 0.178 4.919 4.740 0.001 0.000 0.277 82 N C 0.372 175.776 175.510 -0.176 0.000 1.275 82 N CA -0.253 52.730 53.050 -0.112 0.000 0.964 82 N CB 0.237 38.713 38.487 -0.017 0.000 1.167 82 N HN 0.200 nan 8.380 nan 0.000 0.568 83 F N -1.466 118.456 119.950 -0.046 0.000 2.259 83 F HA 0.142 4.669 4.527 0.001 0.000 0.298 83 F C 2.578 178.360 175.800 -0.030 0.000 1.088 83 F CA 0.802 58.753 58.000 -0.081 0.000 1.358 83 F CB -0.214 38.762 39.000 -0.040 0.000 1.040 83 F HN 0.493 nan 8.300 nan 0.000 0.505 84 R N 0.548 121.141 120.500 0.156 0.000 2.075 84 R HA -0.140 4.200 4.340 0.001 0.000 0.232 84 R C 2.000 178.347 176.300 0.077 0.000 1.126 84 R CA 1.626 57.785 56.100 0.098 0.000 0.963 84 R CB -0.145 30.198 30.300 0.072 0.000 0.858 84 R HN 0.284 nan 8.270 nan 0.000 0.435 85 E N 0.291 120.537 120.200 0.077 0.000 2.047 85 E HA -0.208 4.143 4.350 0.001 0.000 0.191 85 E C 1.921 178.658 176.600 0.228 0.000 0.987 85 E CA 1.121 57.599 56.400 0.129 0.000 0.799 85 E CB -0.133 29.621 29.700 0.091 0.000 0.752 85 E HN 0.142 nan 8.360 nan 0.000 0.449 86 L N 0.839 122.146 121.223 0.139 0.000 2.081 86 L HA -0.236 4.104 4.340 0.001 0.000 0.212 86 L C 2.348 179.192 176.870 -0.044 0.000 1.080 86 L CA 1.854 56.642 54.840 -0.087 0.000 0.754 86 L CB -0.601 41.211 42.059 -0.412 0.000 0.893 86 L HN 0.021 nan 8.230 nan 0.000 0.433 87 S N -1.142 114.566 115.700 0.013 0.000 2.357 87 S HA -0.173 4.298 4.470 0.001 0.000 0.221 87 S C 1.889 176.525 174.600 0.060 0.000 1.031 87 S CA 1.305 59.531 58.200 0.044 0.000 0.982 87 S CB -0.248 62.993 63.200 0.069 0.000 0.853 87 S HN 0.609 nan 8.310 nan 0.000 0.458 88 E N 0.905 121.147 120.200 0.071 0.000 2.085 88 E HA -0.153 4.197 4.350 0.001 0.000 0.194 88 E C 2.126 178.771 176.600 0.075 0.000 0.994 88 E CA 1.227 57.669 56.400 0.070 0.000 0.801 88 E CB -0.248 29.490 29.700 0.064 0.000 0.743 88 E HN 0.616 nan 8.360 nan 0.000 0.453 89 N N -0.040 118.724 118.700 0.106 0.000 2.216 89 N HA -0.126 4.615 4.740 0.001 0.000 0.183 89 N C 1.825 177.378 175.510 0.071 0.000 1.017 89 N CA 1.210 54.334 53.050 0.124 0.000 0.861 89 N CB 0.162 38.819 38.487 0.282 0.000 0.986 89 N HN 0.071 nan 8.380 nan 0.000 0.428 90 S N 0.007 115.732 115.700 0.042 0.000 2.453 90 S HA -0.057 4.414 4.470 0.001 0.000 0.231 90 S C 1.721 176.330 174.600 0.014 0.000 1.005 90 S CA 0.520 58.737 58.200 0.028 0.000 0.949 90 S CB -0.120 63.094 63.200 0.022 0.000 0.774 90 S HN 0.359 nan 8.310 nan 0.000 0.510 91 Q N 1.092 120.912 119.800 0.032 0.000 2.119 91 Q HA -0.082 4.259 4.340 0.001 0.000 0.201 91 Q C 2.468 178.475 176.000 0.013 0.000 0.972 91 Q CA 1.383 57.208 55.803 0.037 0.000 0.847 91 Q CB -0.260 28.542 28.738 0.106 0.000 0.903 91 Q HN 0.692 nan 8.270 nan 0.000 0.433 92 Q N 0.270 120.082 119.800 0.019 0.000 2.061 92 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 92 Q C 2.189 178.169 176.000 -0.034 0.000 0.984 92 Q CA 1.458 57.255 55.803 -0.010 0.000 0.846 92 Q CB -0.308 28.419 28.738 -0.017 0.000 0.902 92 Q HN 0.390 nan 8.270 nan 0.000 0.421 93 A N 1.276 124.095 122.820 -0.000 0.000 1.873 93 A HA -0.252 4.068 4.320 0.001 0.000 0.218 93 A C 2.340 179.923 177.584 -0.001 0.000 1.193 93 A CA 2.021 54.097 52.037 0.064 0.000 0.629 93 A CB -1.086 17.994 19.000 0.133 0.000 0.826 93 A HN 0.447 nan 8.150 nan 0.000 0.447 94 A N -0.063 122.689 122.820 -0.114 0.000 1.883 94 A HA -0.225 4.096 4.320 0.001 0.000 0.217 94 A C 1.932 179.392 177.584 -0.208 0.000 1.186 94 A CA 1.868 53.729 52.037 -0.294 0.000 0.624 94 A CB -0.704 17.826 19.000 -0.784 0.000 0.822 94 A HN 0.571 nan 8.150 nan 0.000 0.444 95 N N 0.091 118.729 118.700 -0.103 0.000 2.223 95 N HA -0.112 4.628 4.740 0.001 0.000 0.185 95 N C 1.693 177.210 175.510 0.012 0.000 1.016 95 N CA 1.443 54.510 53.050 0.029 0.000 0.863 95 N CB -0.480 38.040 38.487 0.056 0.000 0.983 95 N HN 0.283 nan 8.380 nan 0.000 0.429 96 V N 1.541 121.449 119.914 -0.009 0.000 2.295 96 V HA -0.174 3.946 4.120 0.001 0.000 0.246 96 V C 2.370 178.491 176.094 0.045 0.000 1.049 96 V CA 1.272 63.574 62.300 0.003 0.000 1.024 96 V CB -0.417 31.392 31.823 -0.023 0.000 0.648 96 V HN 0.206 nan 8.190 nan 0.000 0.447 97 L N 0.417 121.673 121.223 0.055 0.000 2.072 97 L HA -0.111 4.230 4.340 0.001 0.000 0.205 97 L C 2.619 179.516 176.870 0.044 0.000 1.079 97 L CA 1.848 56.722 54.840 0.058 0.000 0.752 97 L CB -0.597 41.489 42.059 0.046 0.000 0.906 97 L HN 0.521 nan 8.230 nan 0.000 0.436 98 S N -1.030 114.695 115.700 0.043 0.000 2.439 98 S HA 0.046 4.516 4.470 0.001 0.000 0.224 98 S C 1.819 176.454 174.600 0.059 0.000 1.029 98 S CA 0.466 58.706 58.200 0.067 0.000 0.946 98 S CB -0.328 62.946 63.200 0.124 0.000 0.797 98 S HN 0.366 nan 8.310 nan 0.000 0.504 99 G N 1.444 110.275 108.800 0.052 0.000 2.615 99 G HA2 0.398 4.358 3.960 0.001 0.000 0.213 99 G HA3 0.398 4.358 3.960 0.001 0.000 0.213 99 G C 1.654 176.568 174.900 0.023 0.000 1.215 99 G CA 0.402 45.525 45.100 0.037 0.000 0.843 99 G HN 0.638 nan 8.290 nan 0.000 0.571 100 A N 0.073 122.904 122.820 0.019 0.000 1.858 100 A HA -0.092 4.229 4.320 0.001 0.000 0.216 100 A C 2.377 179.972 177.584 0.018 0.000 1.190 100 A CA 2.008 54.053 52.037 0.014 0.000 0.617 100 A CB -1.021 17.984 19.000 0.008 0.000 0.827 100 A HN 0.444 nan 8.150 nan 0.000 0.443 101 C N -1.141 118.175 119.300 0.028 0.000 2.576 101 C HA 0.426 4.886 4.460 0.001 0.000 0.267 101 C C 2.044 177.046 174.990 0.020 0.000 1.364 101 C CA -0.043 58.990 59.018 0.025 0.000 1.723 101 C CB -1.151 26.611 27.740 0.037 0.000 1.778 101 C HN 1.077 nan 8.230 nan 0.000 0.572 102 G N 1.143 109.957 108.800 0.024 0.000 2.180 102 G HA2 -0.289 3.671 3.960 0.001 0.000 0.263 102 G HA3 -0.289 3.671 3.960 0.001 0.000 0.263 102 G C 0.118 175.033 174.900 0.026 0.000 0.989 102 G CA 0.121 45.234 45.100 0.022 0.000 0.692 102 G HN 0.592 nan 8.290 nan 0.000 0.526 103 L N -0.217 121.024 121.223 0.030 0.000 2.485 103 L HA 0.288 4.628 4.340 0.001 0.000 0.275 103 L C 1.018 177.914 176.870 0.043 0.000 1.207 103 L CA 0.434 55.294 54.840 0.033 0.000 0.855 103 L CB 0.443 42.523 42.059 0.035 0.000 1.114 103 L HN 0.336 nan 8.230 nan 0.000 0.485 104 Q N 1.966 121.790 119.800 0.041 0.000 2.351 104 Q HA 0.404 4.744 4.340 0.001 0.000 0.273 104 Q C -0.577 175.456 176.000 0.055 0.000 1.077 104 Q CA -1.129 54.702 55.803 0.047 0.000 0.843 104 Q CB 2.163 30.922 28.738 0.035 0.000 1.367 104 Q HN 0.400 nan 8.270 nan 0.000 0.449 105 R N -0.021 120.517 120.500 0.063 0.000 2.494 105 R HA -0.011 4.329 4.340 0.001 0.000 0.291 105 R C 0.707 177.044 176.300 0.062 0.000 0.953 105 R CA 1.854 57.998 56.100 0.073 0.000 1.098 105 R CB -0.355 29.983 30.300 0.064 0.000 0.911 105 R HN 0.945 nan 8.270 nan 0.000 0.407 106 G N 2.884 111.728 108.800 0.074 0.000 2.217 106 G HA2 -0.247 3.714 3.960 0.001 0.000 0.246 106 G HA3 -0.247 3.714 3.960 0.001 0.000 0.246 106 G C -0.244 174.677 174.900 0.036 0.000 0.990 106 G CA 0.210 45.342 45.100 0.054 0.000 0.627 106 G HN 0.675 nan 8.290 nan 0.000 0.522 107 D N 0.721 121.144 120.400 0.038 0.000 2.368 107 D HA 0.489 5.129 4.640 0.001 0.000 0.240 107 D C 1.022 177.336 176.300 0.024 0.000 1.169 107 D CA 0.201 54.217 54.000 0.026 0.000 0.906 107 D CB 0.428 41.244 40.800 0.027 0.000 1.187 107 D HN 0.451 nan 8.370 nan 0.000 0.435 108 R N 0.159 120.668 120.500 0.016 0.000 2.460 108 R HA 0.585 4.925 4.340 0.001 0.000 0.303 108 R C -0.964 175.348 176.300 0.021 0.000 0.968 108 R CA -0.871 55.236 56.100 0.013 0.000 0.889 108 R CB 1.655 31.961 30.300 0.010 0.000 1.123 108 R HN 0.092 nan 8.270 nan 0.000 0.455 109 V N 2.429 122.358 119.914 0.026 0.000 2.376 109 V HA 0.394 4.515 4.120 0.001 0.000 0.287 109 V C 0.050 176.160 176.094 0.028 0.000 1.015 109 V CA -1.000 61.314 62.300 0.023 0.000 0.834 109 V CB 1.522 33.356 31.823 0.018 0.000 1.001 109 V HN 0.944 nan 8.190 nan 0.000 0.428 110 A N 4.882 127.722 122.820 0.033 0.000 2.440 110 A HA 0.663 4.984 4.320 0.001 0.000 0.251 110 A C -0.277 177.318 177.584 0.019 0.000 1.089 110 A CA -0.116 51.946 52.037 0.043 0.000 0.779 110 A CB 0.504 19.533 19.000 0.050 0.000 1.022 110 A HN 0.825 nan 8.150 nan 0.000 0.492 111 V N 3.389 123.312 119.914 0.015 0.000 2.447 111 V HA 0.408 4.529 4.120 0.001 0.000 0.292 111 V C -0.633 175.496 176.094 0.057 0.000 1.021 111 V CA -0.403 61.888 62.300 -0.016 0.000 0.850 111 V CB 1.542 33.279 31.823 -0.144 0.000 1.005 111 V HN 0.631 nan 8.190 nan 0.000 0.426 112 V N 6.769 126.716 119.914 0.056 0.000 2.380 112 V HA 0.513 4.633 4.120 0.001 0.000 0.268 112 V C -0.435 175.686 176.094 0.044 0.000 1.008 112 V CA -0.156 62.175 62.300 0.051 0.000 0.823 112 V CB 1.045 32.890 31.823 0.037 0.000 1.053 112 V HN 0.669 nan 8.190 nan 0.000 0.446 113 L N 5.825 127.097 121.223 0.082 0.000 2.388 113 L HA 0.662 5.003 4.340 0.001 0.000 0.264 113 L C -2.125 174.754 176.870 0.015 0.000 0.998 113 L CA -1.775 53.109 54.840 0.073 0.000 0.817 113 L CB 3.608 45.764 42.059 0.162 0.000 1.338 113 L HN 0.307 nan 8.230 nan 0.000 0.414 114 P HA 0.111 nan 4.420 nan 0.000 0.302 114 P C -0.769 176.571 177.300 0.067 0.000 1.301 114 P CA -0.452 62.661 63.100 0.022 0.000 0.745 114 P CB 0.507 32.245 31.700 0.063 0.000 1.331 115 R N -0.005 120.581 120.500 0.144 0.000 3.710 115 R HA 0.280 4.620 4.340 0.001 0.000 0.201 115 R C -0.139 176.455 176.300 0.490 0.000 1.641 115 R CA -0.275 56.008 56.100 0.306 0.000 1.390 115 R CB -0.795 29.664 30.300 0.265 0.000 1.341 115 R HN 0.278 nan 8.270 nan 0.000 0.728 116 V N -1.514 118.634 119.914 0.391 0.000 2.864 116 V HA 0.442 4.563 4.120 0.001 0.000 0.314 116 V C -2.252 173.905 176.094 0.105 0.000 1.073 116 V CA -2.584 59.784 62.300 0.113 0.000 0.956 116 V CB 2.240 34.069 31.823 0.010 0.000 1.023 116 V HN 0.145 nan 8.190 nan 0.000 0.435 117 P HA -0.092 nan 4.420 nan 0.000 0.219 117 P C 1.137 178.494 177.300 0.094 0.000 1.146 117 P CA 1.328 64.309 63.100 -0.198 0.000 0.808 117 P CB 0.237 31.693 31.700 -0.406 0.000 0.779 118 E N -2.128 118.121 120.200 0.082 0.000 2.265 118 E HA -0.178 4.173 4.350 0.001 0.000 0.196 118 E C 1.596 178.217 176.600 0.035 0.000 0.996 118 E CA 0.743 57.188 56.400 0.075 0.000 0.832 118 E CB -0.890 28.817 29.700 0.012 0.000 0.756 118 E HN 0.386 nan 8.360 nan 0.000 0.491 119 W N 0.037 121.334 121.300 -0.005 0.000 2.355 119 W HA -0.163 4.498 4.660 0.001 0.000 0.309 119 W C 1.562 177.954 176.519 -0.211 0.000 1.206 119 W CA 1.473 58.708 57.345 -0.184 0.000 1.284 119 W CB -0.210 29.044 29.460 -0.342 0.000 1.145 119 W HN 0.099 nan 8.180 nan 0.000 0.502 120 W N -0.028 121.375 121.300 0.173 0.000 2.381 120 W HA -0.163 4.497 4.660 0.001 0.000 0.301 120 W C 2.109 178.576 176.519 -0.087 0.000 1.205 120 W CA 1.002 58.397 57.345 0.083 0.000 1.285 120 W CB -1.166 28.404 29.460 0.184 0.000 1.133 120 W HN -0.050 nan 8.180 nan 0.000 0.521 121 L N -0.345 120.951 121.223 0.121 0.000 2.046 121 L HA -0.233 4.108 4.340 0.001 0.000 0.208 121 L C 2.276 179.128 176.870 -0.030 0.000 1.077 121 L CA 0.911 55.773 54.840 0.036 0.000 0.747 121 L CB -1.294 40.819 42.059 0.089 0.000 0.896 121 L HN -0.204 nan 8.230 nan 0.000 0.432 122 V N -0.206 119.605 119.914 -0.172 0.000 2.307 122 V HA -0.249 3.871 4.120 0.001 0.000 0.245 122 V C 2.430 178.293 176.094 -0.385 0.000 1.045 122 V CA 1.285 63.416 62.300 -0.280 0.000 1.024 122 V CB -0.260 31.276 31.823 -0.479 0.000 0.651 122 V HN 0.249 nan 8.190 nan 0.000 0.449 123 I N -0.204 119.965 120.570 -0.669 0.000 2.163 123 I HA -0.241 3.930 4.170 0.001 0.000 0.243 123 I C 2.418 178.242 176.117 -0.489 0.000 1.085 123 I CA 1.792 62.549 61.300 -0.905 0.000 1.347 123 I CB -1.171 35.979 38.000 -1.416 0.000 1.044 123 I HN 0.271 nan 8.210 nan 0.000 0.408 124 L N 0.458 121.540 121.223 -0.235 0.000 2.042 124 L HA -0.177 4.163 4.340 0.001 0.000 0.210 124 L C 2.677 179.539 176.870 -0.013 0.000 1.076 124 L CA 1.603 56.439 54.840 -0.008 0.000 0.749 124 L CB -1.156 40.964 42.059 0.102 0.000 0.893 124 L HN 0.312 nan 8.230 nan 0.000 0.432 125 G N -0.784 107.981 108.800 -0.058 0.000 2.446 125 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 125 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 125 G C 1.633 176.510 174.900 -0.040 0.000 1.168 125 G CA 1.006 46.075 45.100 -0.052 0.000 0.771 125 G HN 0.414 nan 8.290 nan 0.000 0.551 126 C N 0.337 119.616 119.300 -0.036 0.000 2.413 126 C HA -0.010 4.450 4.460 0.001 0.000 0.276 126 C C 2.855 177.944 174.990 0.164 0.000 1.236 126 C CA 0.640 59.694 59.018 0.060 0.000 1.735 126 C CB -1.032 26.765 27.740 0.096 0.000 2.031 126 C HN 0.481 nan 8.230 nan 0.000 0.474 127 I N 0.311 120.990 120.570 0.182 0.000 2.286 127 I HA -0.202 3.969 4.170 0.001 0.000 0.248 127 I C 2.761 179.036 176.117 0.263 0.000 1.115 127 I CA 1.468 62.970 61.300 0.337 0.000 1.392 127 I CB -0.436 37.763 38.000 0.332 0.000 1.065 127 I HN 0.346 nan 8.210 nan 0.000 0.418 128 R N 0.615 121.199 120.500 0.141 0.000 2.073 128 R HA -0.020 4.321 4.340 0.001 0.000 0.229 128 R C 2.147 178.557 176.300 0.183 0.000 1.120 128 R CA 1.389 57.564 56.100 0.124 0.000 0.967 128 R CB -0.334 29.971 30.300 0.009 0.000 0.862 128 R HN 0.299 nan 8.270 nan 0.000 0.436 129 A N 0.183 123.056 122.820 0.089 0.000 2.251 129 A HA 0.227 4.547 4.320 0.001 0.000 0.209 129 A C 1.161 178.841 177.584 0.161 0.000 1.187 129 A CA 0.584 52.703 52.037 0.137 0.000 0.823 129 A CB -0.099 18.922 19.000 0.035 0.000 0.846 129 A HN 0.443 nan 8.150 nan 0.000 0.486 130 G N -0.479 108.441 108.800 0.199 0.000 2.246 130 G HA2 -0.209 3.752 3.960 0.001 0.000 0.273 130 G HA3 -0.209 3.752 3.960 0.001 0.000 0.273 130 G C -0.100 174.936 174.900 0.225 0.000 1.055 130 G CA 0.462 45.711 45.100 0.248 0.000 0.851 130 G HN 0.481 nan 8.290 nan 0.000 0.500 131 L N -0.517 120.826 121.223 0.201 0.000 2.334 131 L HA 0.613 4.954 4.340 0.001 0.000 0.275 131 L C 0.905 177.848 176.870 0.123 0.000 1.036 131 L CA -1.176 53.745 54.840 0.134 0.000 0.807 131 L CB 1.565 43.684 42.059 0.101 0.000 1.231 131 L HN 0.023 nan 8.230 nan 0.000 0.438 132 I N 2.976 123.572 120.570 0.043 0.000 2.301 132 I HA 0.142 4.313 4.170 0.001 0.000 0.292 132 I C -0.199 175.890 176.117 -0.047 0.000 1.046 132 I CA -0.317 60.941 61.300 -0.070 0.000 1.282 132 I CB 0.353 38.295 38.000 -0.097 0.000 1.409 132 I HN 0.341 nan 8.210 nan 0.000 0.484 133 F N 6.017 125.901 119.950 -0.109 0.000 2.385 133 F HA 0.714 5.241 4.527 0.001 0.000 0.336 133 F C -0.294 175.394 175.800 -0.186 0.000 1.100 133 F CA -1.081 56.826 58.000 -0.156 0.000 1.116 133 F CB 0.626 39.494 39.000 -0.221 0.000 1.166 133 F HN 0.220 nan 8.300 nan 0.000 0.511 134 M N 4.378 123.990 119.600 0.019 0.000 1.986 134 M HA 0.345 4.825 4.480 0.001 0.000 0.247 134 M C -2.885 173.406 176.300 -0.015 0.000 0.851 134 M CA -1.524 53.740 55.300 -0.060 0.000 0.785 134 M CB 1.175 33.816 32.600 0.069 0.000 1.554 134 M HN 0.314 nan 8.290 nan 0.000 0.361 135 P HA 0.399 nan 4.420 nan 0.000 0.275 135 P C 0.014 177.356 177.300 0.071 0.000 1.227 135 P CA 0.028 63.157 63.100 0.048 0.000 0.781 135 P CB 1.160 32.966 31.700 0.176 0.000 0.906 136 G N 0.154 108.998 108.800 0.074 0.000 2.725 136 G HA2 0.514 4.474 3.960 0.001 0.000 0.288 136 G HA3 0.514 4.474 3.960 0.001 0.000 0.288 136 G C -1.320 173.530 174.900 -0.084 0.000 1.399 136 G CA -0.467 44.657 45.100 0.039 0.000 0.859 136 G HN 0.441 nan 8.290 nan 0.000 0.479 137 T N -0.224 114.245 114.554 -0.141 0.000 2.889 137 T HA 0.297 4.648 4.350 0.001 0.000 0.291 137 T C 1.952 176.616 174.700 -0.060 0.000 0.995 137 T CA -0.195 61.778 62.100 -0.212 0.000 1.092 137 T CB 0.429 69.118 68.868 -0.298 0.000 0.954 137 T HN 0.730 nan 8.240 nan 0.000 0.506 138 I N 2.325 122.858 120.570 -0.062 0.000 3.010 138 I HA -0.054 4.117 4.170 0.001 0.000 0.271 138 I C 1.903 178.029 176.117 0.014 0.000 1.293 138 I CA 0.824 62.115 61.300 -0.016 0.000 1.452 138 I CB -0.371 37.618 38.000 -0.017 0.000 1.082 138 I HN 0.642 nan 8.210 nan 0.000 0.484 139 Q N 0.974 120.801 119.800 0.044 0.000 2.369 139 Q HA 0.093 4.433 4.340 0.001 0.000 0.206 139 Q C 0.841 176.876 176.000 0.060 0.000 0.963 139 Q CA 0.510 56.362 55.803 0.083 0.000 0.894 139 Q CB -0.022 28.831 28.738 0.191 0.000 0.965 139 Q HN 0.593 nan 8.270 nan 0.000 0.475 140 M N 1.257 120.889 119.600 0.055 0.000 2.252 140 M HA 0.012 4.492 4.480 0.001 0.000 0.333 140 M C 0.260 176.562 176.300 0.003 0.000 1.111 140 M CA 0.651 55.970 55.300 0.032 0.000 1.140 140 M CB 0.450 33.069 32.600 0.032 0.000 1.538 140 M HN -0.175 nan 8.290 nan 0.000 0.448 141 K N 0.655 121.044 120.400 -0.017 0.000 2.210 141 K HA 0.314 4.635 4.320 0.001 0.000 0.236 141 K C 1.140 177.735 176.600 -0.008 0.000 1.016 141 K CA -0.169 56.105 56.287 -0.022 0.000 0.913 141 K CB 0.906 33.377 32.500 -0.048 0.000 1.141 141 K HN 0.778 nan 8.250 nan 0.000 0.462 142 S N -0.223 115.475 115.700 -0.002 0.000 2.374 142 S HA -0.185 4.286 4.470 0.001 0.000 0.227 142 S C 1.719 176.328 174.600 0.015 0.000 1.037 142 S CA 2.164 60.372 58.200 0.014 0.000 1.024 142 S CB -0.630 62.581 63.200 0.017 0.000 0.861 142 S HN 0.591 nan 8.310 nan 0.000 0.456 143 T N 2.258 116.814 114.554 0.003 0.000 2.821 143 T HA -0.055 4.295 4.350 0.001 0.000 0.267 143 T C 1.394 176.107 174.700 0.022 0.000 1.046 143 T CA 1.357 63.465 62.100 0.014 0.000 1.139 143 T CB -0.582 68.283 68.868 -0.005 0.000 0.871 143 T HN 0.460 nan 8.240 nan 0.000 0.454 144 D N 1.285 121.679 120.400 -0.011 0.000 2.104 144 D HA -0.055 4.586 4.640 0.001 0.000 0.194 144 D C 2.070 178.375 176.300 0.009 0.000 0.994 144 D CA 0.960 54.948 54.000 -0.019 0.000 0.830 144 D CB -0.284 40.497 40.800 -0.031 0.000 0.959 144 D HN 0.372 nan 8.370 nan 0.000 0.452 145 I N 0.303 120.877 120.570 0.008 0.000 2.233 145 I HA -0.203 3.968 4.170 0.001 0.000 0.243 145 I C 2.425 178.548 176.117 0.010 0.000 1.093 145 I CA 0.310 61.611 61.300 0.002 0.000 1.380 145 I CB -0.120 37.895 38.000 0.025 0.000 1.067 145 I HN -0.021 nan 8.210 nan 0.000 0.413 146 L N 0.616 121.860 121.223 0.034 0.000 2.012 146 L HA -0.301 4.040 4.340 0.001 0.000 0.210 146 L C 2.546 179.440 176.870 0.041 0.000 1.073 146 L CA 2.009 56.870 54.840 0.036 0.000 0.748 146 L CB -1.057 41.030 42.059 0.046 0.000 0.891 146 L HN 0.247 nan 8.230 nan 0.000 0.431 147 Y N 0.375 120.641 120.300 -0.056 0.000 2.114 147 Y HA -0.331 4.220 4.550 0.001 0.000 0.282 147 Y C 2.689 178.536 175.900 -0.089 0.000 1.165 147 Y CA 2.306 60.372 58.100 -0.057 0.000 1.148 147 Y CB -0.179 38.240 38.460 -0.068 0.000 0.972 147 Y HN 0.179 nan 8.280 nan 0.000 0.504 148 R N -0.255 120.153 120.500 -0.153 0.000 2.073 148 R HA -0.094 4.246 4.340 0.001 0.000 0.229 148 R C 2.340 178.594 176.300 -0.077 0.000 1.120 148 R CA 1.680 57.558 56.100 -0.370 0.000 0.967 148 R CB -0.461 29.481 30.300 -0.597 0.000 0.862 148 R HN 0.373 nan 8.270 nan 0.000 0.436 149 L N 0.671 121.865 121.223 -0.049 0.000 2.046 149 L HA -0.216 4.124 4.340 0.001 0.000 0.208 149 L C 2.555 179.418 176.870 -0.012 0.000 1.077 149 L CA 1.488 56.325 54.840 -0.005 0.000 0.747 149 L CB -0.489 41.568 42.059 -0.004 0.000 0.896 149 L HN 0.274 nan 8.230 nan 0.000 0.432 150 Q N -0.703 119.072 119.800 -0.042 0.000 2.020 150 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 150 Q C 2.402 178.363 176.000 -0.064 0.000 0.982 150 Q CA 1.362 57.135 55.803 -0.050 0.000 0.838 150 Q CB -0.126 28.580 28.738 -0.054 0.000 0.899 150 Q HN 0.452 nan 8.270 nan 0.000 0.423 151 M N 0.541 120.063 119.600 -0.130 0.000 2.108 151 M HA -0.156 4.325 4.480 0.001 0.000 0.261 151 M C 2.392 178.699 176.300 0.012 0.000 1.066 151 M CA 1.819 57.054 55.300 -0.107 0.000 1.107 151 M CB -0.633 31.861 32.600 -0.177 0.000 1.356 151 M HN 0.239 nan 8.290 nan 0.000 0.406 152 S N -0.901 114.851 115.700 0.088 0.000 2.501 152 S HA 0.022 4.493 4.470 0.001 0.000 0.220 152 S C 0.705 175.328 174.600 0.039 0.000 0.997 152 S CA -0.023 58.235 58.200 0.096 0.000 0.919 152 S CB -0.209 63.107 63.200 0.193 0.000 0.778 152 S HN 0.445 nan 8.310 nan 0.000 0.523 153 K N 1.254 121.667 120.400 0.021 0.000 3.156 153 K HA -0.157 4.164 4.320 0.001 0.000 0.266 153 K C 0.238 176.845 176.600 0.013 0.000 0.966 153 K CA 0.267 56.559 56.287 0.008 0.000 0.719 153 K CB -2.497 30.004 32.500 0.002 0.000 1.333 153 K HN 0.672 nan 8.250 nan 0.000 0.468 154 A N 1.058 123.892 122.820 0.024 0.000 2.483 154 A HA 0.026 4.347 4.320 0.001 0.000 0.238 154 A C 1.068 178.654 177.584 0.003 0.000 1.070 154 A CA 0.320 52.370 52.037 0.021 0.000 0.770 154 A CB 0.306 19.326 19.000 0.033 0.000 1.008 154 A HN 0.427 nan 8.150 nan 0.000 0.497 155 K N 0.347 120.748 120.400 0.001 0.000 2.354 155 K HA 0.364 4.685 4.320 0.001 0.000 0.194 155 K C 0.274 176.862 176.600 -0.020 0.000 1.038 155 K CA 0.889 57.171 56.287 -0.010 0.000 1.052 155 K CB 0.501 32.999 32.500 -0.003 0.000 0.861 155 K HN 0.768 nan 8.250 nan 0.000 0.535 156 A N 1.292 124.104 122.820 -0.013 0.000 2.539 156 A HA 0.678 4.998 4.320 0.001 0.000 0.296 156 A C -1.718 175.860 177.584 -0.009 0.000 1.073 156 A CA -0.680 51.344 52.037 -0.021 0.000 0.700 156 A CB 1.409 20.407 19.000 -0.004 0.000 1.296 156 A HN 0.176 nan 8.150 nan 0.000 0.405 157 I N 1.359 121.921 120.570 -0.012 0.000 2.582 157 I HA 0.644 4.815 4.170 0.001 0.000 0.292 157 I C -1.571 174.600 176.117 0.090 0.000 1.066 157 I CA -0.835 60.490 61.300 0.042 0.000 1.053 157 I CB 2.023 40.068 38.000 0.075 0.000 1.241 157 I HN 0.370 nan 8.210 nan 0.000 0.421 158 V N 7.678 127.631 119.914 0.066 0.000 2.334 158 V HA 0.828 4.949 4.120 0.001 0.000 0.281 158 V C 0.135 176.268 176.094 0.065 0.000 1.016 158 V CA -0.154 62.170 62.300 0.039 0.000 0.832 158 V CB 0.878 32.622 31.823 -0.132 0.000 0.999 158 V HN 0.835 nan 8.190 nan 0.000 0.439 159 A N 3.924 126.828 122.820 0.139 0.000 2.485 159 A HA 1.014 5.335 4.320 0.001 0.000 0.292 159 A C 0.150 177.695 177.584 -0.065 0.000 1.147 159 A CA -0.059 52.006 52.037 0.046 0.000 0.750 159 A CB 1.900 20.951 19.000 0.084 0.000 1.331 159 A HN 0.903 nan 8.150 nan 0.000 0.419 160 G N -1.172 107.572 108.800 -0.093 0.000 2.971 160 G HA2 0.467 4.428 3.960 0.001 0.000 0.235 160 G HA3 0.467 4.428 3.960 0.001 0.000 0.235 160 G C -0.359 174.436 174.900 -0.176 0.000 1.351 160 G CA -0.062 44.971 45.100 -0.112 0.000 1.039 160 G HN 0.490 nan 8.290 nan 0.000 0.563 161 D N -0.459 119.865 120.400 -0.126 0.000 2.264 161 D HA -0.038 4.602 4.640 0.001 0.000 0.208 161 D C 2.168 178.405 176.300 -0.106 0.000 0.966 161 D CA 0.838 54.758 54.000 -0.132 0.000 0.864 161 D CB 0.261 41.017 40.800 -0.075 0.000 0.933 161 D HN 0.438 nan 8.370 nan 0.000 0.499 162 E N -0.004 120.152 120.200 -0.072 0.000 2.047 162 E HA -0.112 4.238 4.350 0.001 0.000 0.191 162 E C 2.096 178.667 176.600 -0.049 0.000 0.987 162 E CA 0.934 57.308 56.400 -0.044 0.000 0.799 162 E CB 0.101 29.789 29.700 -0.020 0.000 0.752 162 E HN 0.279 nan 8.360 nan 0.000 0.449 163 V N -1.448 118.429 119.914 -0.061 0.000 3.578 163 V HA 0.256 4.377 4.120 0.001 0.000 0.290 163 V C 1.765 177.826 176.094 -0.055 0.000 1.376 163 V CA -0.104 62.173 62.300 -0.037 0.000 1.083 163 V CB -0.207 31.613 31.823 -0.005 0.000 0.911 163 V HN 0.185 nan 8.190 nan 0.000 0.433 164 I N 0.609 121.080 120.570 -0.165 0.000 2.208 164 I HA -0.293 3.877 4.170 0.001 0.000 0.245 164 I C 2.547 178.619 176.117 -0.075 0.000 1.097 164 I CA 2.224 63.348 61.300 -0.293 0.000 1.363 164 I CB 0.112 37.751 38.000 -0.602 0.000 1.051 164 I HN 0.425 nan 8.210 nan 0.000 0.413 165 Q N 0.255 120.022 119.800 -0.056 0.000 2.020 165 Q HA -0.296 4.044 4.340 0.001 0.000 0.202 165 Q C 2.120 178.147 176.000 0.045 0.000 0.982 165 Q CA 2.121 57.927 55.803 0.005 0.000 0.838 165 Q CB -0.061 28.670 28.738 -0.011 0.000 0.899 165 Q HN 0.498 nan 8.270 nan 0.000 0.423 166 E N -0.658 119.560 120.200 0.029 0.000 2.065 166 E HA -0.231 4.119 4.350 0.001 0.000 0.201 166 E C 1.871 178.519 176.600 0.080 0.000 1.016 166 E CA 1.842 58.267 56.400 0.041 0.000 0.818 166 E CB -0.112 29.603 29.700 0.026 0.000 0.749 166 E HN 0.152 nan 8.360 nan 0.000 0.453 167 V N 1.268 121.258 119.914 0.127 0.000 2.287 167 V HA -0.274 3.847 4.120 0.001 0.000 0.248 167 V C 1.663 177.875 176.094 0.196 0.000 1.053 167 V CA 2.150 64.567 62.300 0.196 0.000 1.027 167 V CB -0.503 31.547 31.823 0.379 0.000 0.646 167 V HN 0.309 nan 8.190 nan 0.000 0.447 168 D N -0.392 120.154 120.400 0.245 0.000 2.218 168 D HA -0.123 4.518 4.640 0.001 0.000 0.204 168 D C 2.242 178.608 176.300 0.110 0.000 0.976 168 D CA 1.498 55.620 54.000 0.203 0.000 0.853 168 D CB -0.308 40.639 40.800 0.246 0.000 0.939 168 D HN 0.397 nan 8.370 nan 0.000 0.481 169 T N -0.067 114.539 114.554 0.088 0.000 2.759 169 T HA -0.120 4.230 4.350 0.001 0.000 0.269 169 T C 1.875 176.604 174.700 0.048 0.000 1.042 169 T CA 1.610 63.744 62.100 0.057 0.000 1.140 169 T CB 0.057 68.952 68.868 0.045 0.000 0.864 169 T HN 0.225 nan 8.240 nan 0.000 0.455 170 V N -1.938 118.008 119.914 0.053 0.000 3.432 170 V HA 0.699 4.819 4.120 0.001 0.000 0.298 170 V C 2.091 178.202 176.094 0.028 0.000 1.464 170 V CA 0.319 62.641 62.300 0.038 0.000 1.046 170 V CB -0.434 31.412 31.823 0.037 0.000 0.887 170 V HN 0.282 nan 8.190 nan 0.000 0.441 171 A N 2.262 125.100 122.820 0.030 0.000 1.933 171 A HA -0.147 4.173 4.320 0.001 0.000 0.218 171 A C 2.485 180.062 177.584 -0.012 0.000 1.175 171 A CA 2.490 54.527 52.037 -0.000 0.000 0.628 171 A CB -0.917 18.068 19.000 -0.026 0.000 0.814 171 A HN 1.138 nan 8.150 nan 0.000 0.444 172 S N -0.368 115.330 115.700 -0.002 0.000 2.442 172 S HA -0.094 4.376 4.470 0.001 0.000 0.236 172 S C 1.155 175.753 174.600 -0.003 0.000 1.007 172 S CA 1.330 59.526 58.200 -0.005 0.000 0.965 172 S CB -0.413 62.788 63.200 0.003 0.000 0.773 172 S HN 0.500 nan 8.310 nan 0.000 0.504 173 E N -0.255 119.947 120.200 0.003 0.000 2.476 173 E HA 0.208 4.559 4.350 0.001 0.000 0.191 173 E C -0.142 176.457 176.600 -0.001 0.000 1.064 173 E CA 0.182 56.584 56.400 0.004 0.000 0.866 173 E CB -0.353 29.354 29.700 0.012 0.000 0.952 173 E HN 0.704 nan 8.360 nan 0.000 0.492 174 C N 1.889 121.184 119.300 -0.007 0.000 2.492 174 C HA 0.365 4.825 4.460 0.001 0.000 0.284 174 C C -1.579 173.401 174.990 -0.017 0.000 1.082 174 C CA -1.555 57.456 59.018 -0.012 0.000 1.555 174 C CB 0.468 28.200 27.740 -0.014 0.000 1.798 174 C HN 0.363 nan 8.230 nan 0.000 0.413 175 P HA -0.026 nan 4.420 nan 0.000 0.229 175 P C 1.380 178.670 177.300 -0.017 0.000 1.160 175 P CA 1.103 64.194 63.100 -0.015 0.000 0.777 175 P CB 0.201 31.895 31.700 -0.010 0.000 0.814 176 S N -0.628 115.063 115.700 -0.015 0.000 2.496 176 S HA 0.024 4.494 4.470 0.001 0.000 0.224 176 S C 0.770 175.357 174.600 -0.022 0.000 0.996 176 S CA -0.124 58.067 58.200 -0.014 0.000 0.927 176 S CB -0.605 62.590 63.200 -0.008 0.000 0.774 176 S HN 0.077 nan 8.310 nan 0.000 0.524 177 L N 2.736 123.941 121.223 -0.030 0.000 2.456 177 L HA 0.264 4.605 4.340 0.001 0.000 0.277 177 L C 1.049 177.881 176.870 -0.062 0.000 1.124 177 L CA 0.284 55.096 54.840 -0.046 0.000 0.880 177 L CB 0.411 42.436 42.059 -0.055 0.000 1.192 177 L HN -0.053 nan 8.230 nan 0.000 0.463 178 R N 4.302 124.765 120.500 -0.062 0.000 2.191 178 R HA 0.336 4.676 4.340 0.001 0.000 0.196 178 R C -0.116 176.126 176.300 -0.097 0.000 0.991 178 R CA 0.066 56.126 56.100 -0.067 0.000 1.075 178 R CB 0.505 30.780 30.300 -0.042 0.000 1.040 178 R HN 0.522 nan 8.270 nan 0.000 0.526 179 I N 2.391 122.902 120.570 -0.099 0.000 2.406 179 I HA 0.308 4.479 4.170 0.001 0.000 0.290 179 I C -0.996 175.012 176.117 -0.180 0.000 0.999 179 I CA -0.584 60.649 61.300 -0.111 0.000 1.124 179 I CB 1.873 39.845 38.000 -0.046 0.000 1.289 179 I HN 0.082 nan 8.210 nan 0.000 0.441 180 K N 7.400 127.622 120.400 -0.296 0.000 2.535 180 K HA 0.587 4.907 4.320 0.001 0.000 0.253 180 K C -1.114 175.399 176.600 -0.146 0.000 0.953 180 K CA -0.573 55.388 56.287 -0.542 0.000 0.863 180 K CB 2.392 34.017 32.500 -1.458 0.000 1.111 180 K HN 0.446 nan 8.250 nan 0.000 0.431 181 L N 4.207 125.538 121.223 0.181 0.000 2.305 181 L HA 0.423 4.763 4.340 0.001 0.000 0.284 181 L C -0.886 176.270 176.870 0.476 0.000 1.013 181 L CA -1.146 53.884 54.840 0.317 0.000 0.819 181 L CB 1.241 43.428 42.059 0.214 0.000 1.227 181 L HN 0.384 nan 8.230 nan 0.000 0.417 182 L N 4.880 126.382 121.223 0.465 0.000 2.307 182 L HA 0.536 4.877 4.340 0.001 0.000 0.284 182 L C -0.687 176.277 176.870 0.156 0.000 1.023 182 L CA -0.231 54.744 54.840 0.225 0.000 0.810 182 L CB 1.856 43.959 42.059 0.073 0.000 1.231 182 L HN 0.235 nan 8.230 nan 0.000 0.423 183 V N 4.942 124.885 119.914 0.050 0.000 2.333 183 V HA 0.761 4.882 4.120 0.001 0.000 0.274 183 V C -0.027 176.082 176.094 0.025 0.000 1.028 183 V CA 0.015 62.356 62.300 0.068 0.000 0.851 183 V CB 0.685 32.495 31.823 -0.022 0.000 1.000 183 V HN 0.895 nan 8.190 nan 0.000 0.456 184 S N 2.966 118.694 115.700 0.047 0.000 2.597 184 S HA 0.316 4.786 4.470 0.001 0.000 0.274 184 S C 0.325 174.941 174.600 0.028 0.000 1.132 184 S CA -0.549 57.659 58.200 0.012 0.000 0.835 184 S CB 1.877 65.058 63.200 -0.033 0.000 1.092 184 S HN 0.628 nan 8.310 nan 0.000 0.457 185 E N 1.264 121.475 120.200 0.019 0.000 2.208 185 E HA 0.052 4.402 4.350 0.001 0.000 0.193 185 E C 0.043 176.653 176.600 0.016 0.000 0.988 185 E CA 0.948 57.361 56.400 0.021 0.000 0.828 185 E CB -0.044 29.669 29.700 0.022 0.000 0.763 185 E HN 0.473 nan 8.360 nan 0.000 0.478 186 K N 0.533 120.935 120.400 0.005 0.000 2.126 186 K HA 0.307 4.628 4.320 0.001 0.000 0.257 186 K C 0.251 176.857 176.600 0.010 0.000 1.007 186 K CA -0.230 56.058 56.287 0.002 0.000 0.928 186 K CB 1.209 33.700 32.500 -0.015 0.000 1.013 186 K HN -0.204 nan 8.250 nan 0.000 0.473 187 S N -0.160 115.554 115.700 0.022 0.000 2.722 187 S HA 0.537 5.008 4.470 0.001 0.000 0.292 187 S C -1.072 173.553 174.600 0.042 0.000 1.135 187 S CA -0.754 57.474 58.200 0.045 0.000 1.003 187 S CB 1.325 64.557 63.200 0.053 0.000 1.067 187 S HN 0.683 nan 8.310 nan 0.000 0.546 188 C N 1.662 121.014 119.300 0.087 0.000 3.006 188 C HA 0.405 4.865 4.460 0.001 0.000 0.359 188 C C -1.505 173.605 174.990 0.200 0.000 1.103 188 C CA -0.922 58.156 59.018 0.101 0.000 1.286 188 C CB 0.878 28.624 27.740 0.009 0.000 1.694 188 C HN 0.858 nan 8.230 nan 0.000 0.511 189 D N 1.850 122.348 120.400 0.163 0.000 2.450 189 D HA 0.433 5.074 4.640 0.001 0.000 0.247 189 D C 1.252 177.682 176.300 0.216 0.000 1.162 189 D CA 2.385 56.475 54.000 0.151 0.000 0.879 189 D CB 1.011 41.871 40.800 0.099 0.000 1.163 189 D HN 1.425 nan 8.370 nan 0.000 0.472 190 G N 2.309 111.188 108.800 0.130 0.000 2.195 190 G HA2 -0.262 3.699 3.960 0.001 0.000 0.246 190 G HA3 -0.262 3.699 3.960 0.001 0.000 0.246 190 G C -0.221 174.586 174.900 -0.155 0.000 0.984 190 G CA -0.178 44.927 45.100 0.009 0.000 0.633 190 G HN 0.433 nan 8.290 nan 0.000 0.525 191 W N 0.886 122.200 121.300 0.023 0.000 2.532 191 W HA 0.750 5.411 4.660 0.001 0.000 0.321 191 W C 0.562 177.103 176.519 0.036 0.000 1.037 191 W CA -1.027 56.336 57.345 0.030 0.000 1.220 191 W CB 0.910 30.389 29.460 0.031 0.000 1.361 191 W HN 0.045 nan 8.180 nan 0.000 0.468 192 L N 3.631 124.969 121.223 0.191 0.000 2.439 192 L HA 0.104 4.444 4.340 0.001 0.000 0.269 192 L C 0.700 177.701 176.870 0.219 0.000 1.179 192 L CA -0.230 54.706 54.840 0.160 0.000 0.828 192 L CB 0.338 42.462 42.059 0.109 0.000 1.106 192 L HN 0.390 nan 8.230 nan 0.000 0.467 193 N N 2.052 120.847 118.700 0.157 0.000 2.469 193 N HA 0.005 4.745 4.740 0.001 0.000 0.239 193 N C 0.413 176.011 175.510 0.146 0.000 1.053 193 N CA -0.068 53.073 53.050 0.151 0.000 0.937 193 N CB 0.485 39.026 38.487 0.090 0.000 1.163 193 N HN 0.494 nan 8.380 nan 0.000 0.509 194 F N 4.841 124.831 119.950 0.066 0.000 2.031 194 F HA -0.104 4.423 4.527 0.001 0.000 0.295 194 F C 1.817 177.636 175.800 0.032 0.000 1.133 194 F CA 1.668 59.696 58.000 0.047 0.000 1.188 194 F CB 0.096 39.124 39.000 0.048 0.000 0.974 194 F HN 0.456 nan 8.300 nan 0.000 0.473 195 K N -0.005 120.438 120.400 0.071 0.000 2.113 195 K HA -0.240 4.081 4.320 0.001 0.000 0.208 195 K C 2.353 178.881 176.600 -0.120 0.000 1.047 195 K CA 1.849 58.111 56.287 -0.041 0.000 0.928 195 K CB -0.397 32.146 32.500 0.071 0.000 0.716 195 K HN 0.206 nan 8.250 nan 0.000 0.446 196 K N 1.454 121.811 120.400 -0.073 0.000 2.031 196 K HA -0.008 4.313 4.320 0.001 0.000 0.205 196 K C 2.111 178.648 176.600 -0.106 0.000 1.049 196 K CA 0.660 56.908 56.287 -0.065 0.000 0.939 196 K CB -0.579 31.908 32.500 -0.021 0.000 0.717 196 K HN 0.216 nan 8.250 nan 0.000 0.438 197 L N 0.469 121.610 121.223 -0.136 0.000 2.083 197 L HA -0.045 4.296 4.340 0.001 0.000 0.209 197 L C 2.660 179.400 176.870 -0.217 0.000 1.083 197 L CA 1.224 55.978 54.840 -0.143 0.000 0.752 197 L CB -0.587 41.404 42.059 -0.113 0.000 0.899 197 L HN 0.240 nan 8.230 nan 0.000 0.433 198 L N 0.503 121.490 121.223 -0.393 0.000 1.971 198 L HA -0.271 4.069 4.340 0.001 0.000 0.215 198 L C 2.118 178.874 176.870 -0.191 0.000 1.072 198 L CA 2.032 56.631 54.840 -0.402 0.000 0.758 198 L CB -0.689 40.995 42.059 -0.626 0.000 0.889 198 L HN 0.203 nan 8.230 nan 0.000 0.433 199 N N -0.476 118.134 118.700 -0.150 0.000 2.258 199 N HA -0.206 4.535 4.740 0.001 0.000 0.187 199 N C 1.538 177.009 175.510 -0.066 0.000 1.012 199 N CA 1.527 54.527 53.050 -0.083 0.000 0.870 199 N CB -0.042 38.406 38.487 -0.065 0.000 0.977 199 N HN 0.537 nan 8.380 nan 0.000 0.434 200 E N -0.592 119.564 120.200 -0.073 0.000 2.435 200 E HA 0.151 4.501 4.350 0.001 0.000 0.195 200 E C 0.099 176.672 176.600 -0.044 0.000 1.029 200 E CA -0.086 56.283 56.400 -0.051 0.000 0.865 200 E CB 0.287 29.959 29.700 -0.046 0.000 0.833 200 E HN 0.305 nan 8.360 nan 0.000 0.510 201 A N 1.189 123.976 122.820 -0.055 0.000 2.322 201 A HA 0.279 4.599 4.320 0.001 0.000 0.269 201 A C 0.264 177.837 177.584 -0.018 0.000 1.094 201 A CA -0.380 51.634 52.037 -0.038 0.000 0.807 201 A CB 0.976 19.944 19.000 -0.055 0.000 1.047 201 A HN 0.081 nan 8.150 nan 0.000 0.487 202 S N -0.097 115.601 115.700 -0.003 0.000 2.568 202 S HA 0.192 4.663 4.470 0.001 0.000 0.282 202 S C 1.420 176.034 174.600 0.023 0.000 1.338 202 S CA 0.302 58.507 58.200 0.008 0.000 1.045 202 S CB 0.218 63.424 63.200 0.010 0.000 0.873 202 S HN 1.171 nan 8.310 nan 0.000 0.516 203 T N 1.155 115.724 114.554 0.025 0.000 3.129 203 T HA 0.171 4.521 4.350 0.001 0.000 0.251 203 T C 0.423 175.160 174.700 0.061 0.000 1.117 203 T CA -0.067 62.057 62.100 0.041 0.000 1.034 203 T CB -0.333 68.555 68.868 0.033 0.000 0.968 203 T HN 0.472 nan 8.240 nan 0.000 0.526 204 T N 2.832 117.424 114.554 0.064 0.000 2.770 204 T HA 0.348 4.698 4.350 0.001 0.000 0.283 204 T C -1.079 173.696 174.700 0.126 0.000 0.988 204 T CA -0.610 61.541 62.100 0.085 0.000 0.957 204 T CB 0.940 69.837 68.868 0.049 0.000 0.930 204 T HN 0.419 nan 8.240 nan 0.000 0.443 205 H N 2.452 121.560 119.070 0.063 0.000 2.637 205 H HA 0.283 4.840 4.556 0.001 0.000 0.363 205 H C -0.895 174.532 175.328 0.164 0.000 1.131 205 H CA -0.540 55.549 56.048 0.069 0.000 1.183 205 H CB 1.252 31.049 29.762 0.057 0.000 1.637 205 H HN 0.694 nan 8.280 nan 0.000 0.531 206 H N 3.462 122.173 119.070 -0.598 0.000 2.864 206 H HA 0.061 4.618 4.556 0.001 0.000 0.281 206 H C 0.210 175.300 175.328 -0.397 0.000 1.093 206 H CA -0.380 55.441 56.048 -0.379 0.000 1.453 206 H CB 0.526 30.124 29.762 -0.275 0.000 1.462 206 H HN 0.398 nan 8.280 nan 0.000 0.480 207 C N 5.512 124.816 119.300 0.006 0.000 2.648 207 C HA 0.067 4.527 4.460 0.001 0.000 0.419 207 C C 0.778 175.785 174.990 0.027 0.000 1.352 207 C CA -0.610 58.475 59.018 0.112 0.000 1.816 207 C CB -0.801 26.981 27.740 0.069 0.000 2.598 207 C HN 0.557 nan 8.230 nan 0.000 0.598 208 V N 7.209 127.170 119.914 0.078 0.000 2.763 208 V HA 0.058 4.179 4.120 0.001 0.000 0.306 208 V C 0.801 176.855 176.094 -0.067 0.000 1.059 208 V CA 0.532 62.837 62.300 0.008 0.000 1.138 208 V CB 0.656 32.500 31.823 0.035 0.000 0.940 208 V HN 0.833 nan 8.190 nan 0.000 0.489 209 E N 2.958 123.114 120.200 -0.075 0.000 1.972 209 E HA 0.108 4.458 4.350 0.001 0.000 0.292 209 E C 0.419 176.941 176.600 -0.129 0.000 1.193 209 E CA -0.217 56.123 56.400 -0.099 0.000 1.228 209 E CB -0.108 29.550 29.700 -0.071 0.000 1.167 209 E HN 0.874 nan 8.360 nan 0.000 0.479 210 T N -1.092 113.318 114.554 -0.239 0.000 2.919 210 T HA 0.286 4.636 4.350 0.001 0.000 0.302 210 T C 0.816 175.382 174.700 -0.224 0.000 1.031 210 T CA -0.815 61.059 62.100 -0.377 0.000 1.127 210 T CB 1.539 69.755 68.868 -1.087 0.000 0.952 210 T HN 0.248 nan 8.240 nan 0.000 0.540 211 G N 1.165 109.907 108.800 -0.098 0.000 2.476 211 G HA2 0.370 4.331 3.960 0.001 0.000 0.269 211 G HA3 0.370 4.331 3.960 0.001 0.000 0.269 211 G C 0.946 175.917 174.900 0.120 0.000 1.195 211 G CA -0.751 44.361 45.100 0.019 0.000 0.843 211 G HN 0.744 nan 8.290 nan 0.000 0.545 212 S N 0.589 116.372 115.700 0.140 0.000 2.387 212 S HA -0.146 4.325 4.470 0.001 0.000 0.230 212 S C 2.093 176.797 174.600 0.173 0.000 1.035 212 S CA 1.330 59.642 58.200 0.188 0.000 1.014 212 S CB -0.046 63.215 63.200 0.101 0.000 0.836 212 S HN 0.641 nan 8.310 nan 0.000 0.466 213 Q N 0.373 120.243 119.800 0.116 0.000 2.282 213 Q HA 0.257 4.598 4.340 0.001 0.000 0.206 213 Q C 0.458 176.515 176.000 0.094 0.000 0.878 213 Q CA -0.013 55.832 55.803 0.069 0.000 0.944 213 Q CB 0.059 28.806 28.738 0.014 0.000 1.100 213 Q HN 0.643 nan 8.270 nan 0.000 0.509 214 E N 0.978 121.290 120.200 0.186 0.000 2.392 214 E HA 0.285 4.636 4.350 0.001 0.000 0.264 214 E C -0.618 176.111 176.600 0.215 0.000 1.024 214 E CA -0.227 56.303 56.400 0.217 0.000 0.903 214 E CB 0.725 30.584 29.700 0.265 0.000 0.963 214 E HN 0.163 nan 8.360 nan 0.000 0.432 215 A N 3.463 126.332 122.820 0.081 0.000 2.524 215 A HA 0.053 4.373 4.320 0.001 0.000 0.250 215 A C 0.751 178.212 177.584 -0.205 0.000 1.078 215 A CA 0.542 52.541 52.037 -0.063 0.000 0.761 215 A CB 0.749 19.710 19.000 -0.066 0.000 1.012 215 A HN 0.642 nan 8.150 nan 0.000 0.500 216 S N 1.208 116.627 115.700 -0.467 0.000 2.731 216 S HA 0.529 5.000 4.470 0.001 0.000 0.244 216 S C 0.644 174.815 174.600 -0.715 0.000 1.084 216 S CA 0.858 58.594 58.200 -0.773 0.000 0.877 216 S CB -0.013 62.453 63.200 -1.224 0.000 0.798 216 S HN 1.613 nan 8.310 nan 0.000 0.496 217 A N 0.736 123.153 122.820 -0.672 0.000 2.454 217 A HA 0.801 5.121 4.320 0.001 0.000 0.302 217 A C -1.391 175.976 177.584 -0.363 0.000 1.079 217 A CA -0.609 50.896 52.037 -0.887 0.000 0.731 217 A CB 1.112 19.524 19.000 -0.980 0.000 1.299 217 A HN 0.414 nan 8.150 nan 0.000 0.413 218 I N 1.050 121.422 120.570 -0.330 0.000 2.466 218 I HA 0.354 4.524 4.170 0.001 0.000 0.289 218 I C -1.647 174.379 176.117 -0.151 0.000 1.026 218 I CA -0.285 60.916 61.300 -0.166 0.000 1.078 218 I CB 1.862 39.736 38.000 -0.210 0.000 1.249 218 I HN 0.671 nan 8.210 nan 0.000 0.429 219 Y N 5.509 125.821 120.300 0.021 0.000 2.328 219 Y HA 0.426 4.976 4.550 0.001 0.000 0.333 219 Y C -0.202 175.788 175.900 0.150 0.000 0.958 219 Y CA -0.546 57.656 58.100 0.170 0.000 1.167 219 Y CB 1.376 39.960 38.460 0.207 0.000 1.151 219 Y HN 0.330 nan 8.280 nan 0.000 0.470 220 F N 1.849 121.983 119.950 0.307 0.000 2.529 220 F HA 0.272 4.800 4.527 0.001 0.000 0.365 220 F C 0.845 176.823 175.800 0.297 0.000 1.102 220 F CA 0.610 58.783 58.000 0.288 0.000 1.271 220 F CB 0.900 40.064 39.000 0.272 0.000 1.120 220 F HN 0.267 nan 8.300 nan 0.000 0.579 221 T N 2.715 117.501 114.554 0.388 0.000 2.916 221 T HA 0.395 4.746 4.350 0.001 0.000 0.298 221 T C -0.557 174.267 174.700 0.206 0.000 1.031 221 T CA -0.636 61.630 62.100 0.276 0.000 0.993 221 T CB 0.842 69.852 68.868 0.237 0.000 1.045 221 T HN 0.513 nan 8.240 nan 0.000 0.454 222 S N 2.116 117.908 115.700 0.152 0.000 2.580 222 S HA 0.664 5.135 4.470 0.001 0.000 0.274 222 S C 0.560 175.196 174.600 0.061 0.000 1.329 222 S CA -0.511 57.749 58.200 0.100 0.000 1.036 222 S CB 1.079 64.330 63.200 0.086 0.000 0.919 222 S HN 0.931 nan 8.310 nan 0.000 0.515 223 G N 0.015 108.833 108.800 0.029 0.000 2.568 223 G HA2 0.424 4.385 3.960 0.001 0.000 0.313 223 G HA3 0.424 4.385 3.960 0.001 0.000 0.313 223 G C 0.679 175.579 174.900 0.000 0.000 1.227 223 G CA -0.435 44.665 45.100 0.001 0.000 0.979 223 G HN 0.586 nan 8.290 nan 0.000 0.486 224 T N -0.983 113.566 114.554 -0.008 0.000 2.897 224 T HA 0.039 4.389 4.350 0.001 0.000 0.271 224 T C 1.043 175.738 174.700 -0.008 0.000 1.084 224 T CA 1.852 63.948 62.100 -0.007 0.000 1.123 224 T CB -0.425 68.433 68.868 -0.017 0.000 0.865 224 T HN 1.147 nan 8.240 nan 0.000 0.496 225 S N -1.746 113.947 115.700 -0.012 0.000 2.570 225 S HA 0.652 5.122 4.470 0.001 0.000 0.270 225 S C 0.100 174.695 174.600 -0.008 0.000 1.149 225 S CA -0.146 58.049 58.200 -0.008 0.000 0.837 225 S CB 1.449 64.644 63.200 -0.008 0.000 1.124 225 S HN 0.973 nan 8.310 nan 0.000 0.465 226 G N 0.679 109.477 108.800 -0.003 0.000 2.693 226 G HA2 -0.076 3.885 3.960 0.001 0.000 0.226 226 G HA3 -0.076 3.885 3.960 0.001 0.000 0.226 226 G C -0.905 173.992 174.900 -0.006 0.000 1.354 226 G CA -0.246 44.857 45.100 0.005 0.000 0.873 226 G HN 1.148 nan 8.290 nan 0.000 0.562 227 L N 0.730 121.959 121.223 0.011 0.000 2.365 227 L HA 0.552 4.893 4.340 0.001 0.000 0.267 227 L C -1.897 175.020 176.870 0.078 0.000 1.033 227 L CA -2.063 52.747 54.840 -0.050 0.000 0.802 227 L CB 1.601 43.538 42.059 -0.204 0.000 1.267 227 L HN 0.369 nan 8.230 nan 0.000 0.457 228 P HA 0.136 nan 4.420 nan 0.000 0.268 228 P C -1.230 176.334 177.300 0.440 0.000 1.204 228 P CA -0.072 63.193 63.100 0.274 0.000 0.768 228 P CB 0.463 32.369 31.700 0.343 0.000 0.842 229 K N 2.157 122.703 120.400 0.244 0.000 2.106 229 K HA 0.517 4.838 4.320 0.001 0.000 0.246 229 K C 0.081 176.740 176.600 0.098 0.000 0.987 229 K CA -0.695 55.677 56.287 0.141 0.000 0.904 229 K CB 0.818 33.237 32.500 -0.134 0.000 1.071 229 K HN 0.397 nan 8.250 nan 0.000 0.453 230 M N 1.997 121.578 119.600 -0.032 0.000 2.111 230 M HA 0.225 4.705 4.480 0.001 0.000 0.351 230 M C -0.571 175.780 176.300 0.085 0.000 1.214 230 M CA -0.497 54.631 55.300 -0.286 0.000 1.120 230 M CB 1.310 33.657 32.600 -0.423 0.000 1.443 230 M HN 0.616 nan 8.290 nan 0.000 0.429 231 A N 3.619 126.532 122.820 0.155 0.000 2.310 231 A HA 0.289 4.609 4.320 0.001 0.000 0.300 231 A C -0.179 177.491 177.584 0.144 0.000 1.269 231 A CA -0.412 51.790 52.037 0.274 0.000 0.909 231 A CB 0.143 19.260 19.000 0.195 0.000 1.144 231 A HN 0.793 nan 8.150 nan 0.000 0.540 232 E N 2.798 123.012 120.200 0.024 0.000 2.146 232 E HA 0.257 4.608 4.350 0.001 0.000 0.282 232 E C -0.849 175.630 176.600 -0.203 0.000 0.989 232 E CA -0.486 55.847 56.400 -0.111 0.000 0.799 232 E CB 0.470 30.059 29.700 -0.185 0.000 1.088 232 E HN 0.798 nan 8.360 nan 0.000 0.397 233 H N 1.623 120.660 119.070 -0.055 0.000 2.479 233 H HA 0.190 4.747 4.556 0.001 0.000 0.335 233 H C 0.128 175.367 175.328 -0.149 0.000 1.142 233 H CA -0.419 55.588 56.048 -0.069 0.000 1.234 233 H CB 1.910 31.650 29.762 -0.036 0.000 1.503 233 H HN 0.596 nan 8.280 nan 0.000 0.510 234 S N 1.612 117.323 115.700 0.020 0.000 2.669 234 S HA 0.069 4.540 4.470 0.001 0.000 0.270 234 S C 1.032 175.636 174.600 0.007 0.000 1.225 234 S CA -0.552 57.646 58.200 -0.003 0.000 0.991 234 S CB 0.506 63.742 63.200 0.061 0.000 0.987 234 S HN 0.550 nan 8.310 nan 0.000 0.552 235 Y N 1.037 121.430 120.300 0.155 0.000 2.241 235 Y HA -0.179 4.372 4.550 0.001 0.000 0.286 235 Y C 3.129 179.237 175.900 0.348 0.000 1.166 235 Y CA 1.824 60.089 58.100 0.275 0.000 1.203 235 Y CB -0.692 37.945 38.460 0.294 0.000 0.977 235 Y HN 0.854 nan 8.280 nan 0.000 0.529 236 S N -1.225 114.668 115.700 0.321 0.000 2.388 236 S HA -0.149 4.321 4.470 0.001 0.000 0.223 236 S C 2.175 176.794 174.600 0.032 0.000 1.034 236 S CA 0.677 58.919 58.200 0.070 0.000 0.963 236 S CB -0.961 62.235 63.200 -0.008 0.000 0.827 236 S HN 0.474 nan 8.310 nan 0.000 0.481 237 S N 2.145 117.898 115.700 0.089 0.000 2.399 237 S HA 0.059 4.529 4.470 0.001 0.000 0.231 237 S C 1.799 176.442 174.600 0.071 0.000 1.022 237 S CA 0.997 59.267 58.200 0.118 0.000 0.983 237 S CB -0.754 62.585 63.200 0.231 0.000 0.803 237 S HN 0.528 nan 8.310 nan 0.000 0.480 238 L N 0.635 121.886 121.223 0.046 0.000 2.187 238 L HA 0.293 4.633 4.340 0.001 0.000 0.197 238 L C 3.047 179.955 176.870 0.062 0.000 1.090 238 L CA 0.912 55.736 54.840 -0.026 0.000 0.781 238 L CB -1.172 40.873 42.059 -0.024 0.000 0.956 238 L HN 0.465 nan 8.230 nan 0.000 0.463 239 G N -0.003 108.936 108.800 0.232 0.000 2.404 239 G HA2 -0.207 3.754 3.960 0.001 0.000 0.214 239 G HA3 -0.207 3.754 3.960 0.001 0.000 0.214 239 G C 1.511 176.653 174.900 0.404 0.000 1.189 239 G CA 0.404 45.829 45.100 0.541 0.000 0.789 239 G HN 0.106 nan 8.290 nan 0.000 0.533 240 L N 0.884 121.970 121.223 -0.229 0.000 2.046 240 L HA 0.084 4.425 4.340 0.001 0.000 0.208 240 L C 2.635 179.421 176.870 -0.139 0.000 1.077 240 L CA 2.150 56.665 54.840 -0.541 0.000 0.747 240 L CB -0.598 40.965 42.059 -0.827 0.000 0.896 240 L HN 0.207 nan 8.230 nan 0.000 0.432 241 K N 0.098 120.449 120.400 -0.082 0.000 2.032 241 K HA -0.110 4.210 4.320 0.001 0.000 0.209 241 K C 1.958 178.555 176.600 -0.006 0.000 1.048 241 K CA 1.905 58.154 56.287 -0.063 0.000 0.927 241 K CB -0.699 31.761 32.500 -0.068 0.000 0.712 241 K HN 0.368 nan 8.250 nan 0.000 0.441 242 A N 0.652 123.510 122.820 0.063 0.000 1.930 242 A HA -0.125 4.195 4.320 0.001 0.000 0.217 242 A C 2.129 179.846 177.584 0.220 0.000 1.175 242 A CA 1.778 53.893 52.037 0.130 0.000 0.627 242 A CB -0.564 18.505 19.000 0.115 0.000 0.815 242 A HN 0.442 nan 8.150 nan 0.000 0.443 243 K N -0.906 119.659 120.400 0.275 0.000 2.113 243 K HA -0.134 4.187 4.320 0.001 0.000 0.208 243 K C 1.864 178.566 176.600 0.169 0.000 1.047 243 K CA 1.977 58.429 56.287 0.276 0.000 0.928 243 K CB -0.227 32.429 32.500 0.259 0.000 0.716 243 K HN 0.486 nan 8.250 nan 0.000 0.446 244 M N 0.288 119.942 119.600 0.091 0.000 2.447 244 M HA -0.064 4.417 4.480 0.001 0.000 0.264 244 M C 0.846 177.183 176.300 0.062 0.000 1.095 244 M CA 0.923 56.254 55.300 0.051 0.000 1.125 244 M CB 0.383 32.974 32.600 -0.013 0.000 1.389 244 M HN 0.041 nan 8.290 nan 0.000 0.459 245 D N 0.856 121.305 120.400 0.082 0.000 2.305 245 D HA 0.134 4.775 4.640 0.001 0.000 0.206 245 D C 0.574 177.049 176.300 0.292 0.000 0.974 245 D CA 0.282 54.361 54.000 0.132 0.000 0.871 245 D CB -0.080 40.771 40.800 0.086 0.000 0.947 245 D HN 0.194 nan 8.370 nan 0.000 0.516 246 A N 0.127 123.095 122.820 0.246 0.000 2.580 246 A HA 0.353 4.673 4.320 0.001 0.000 0.244 246 A C 1.572 179.277 177.584 0.201 0.000 1.045 246 A CA 1.170 53.352 52.037 0.240 0.000 0.761 246 A CB -0.236 18.913 19.000 0.248 0.000 0.962 246 A HN 0.402 nan 8.150 nan 0.000 0.512 247 G N 1.774 110.658 108.800 0.138 0.000 2.278 247 G HA2 -0.277 3.683 3.960 0.001 0.000 0.210 247 G HA3 -0.277 3.683 3.960 0.001 0.000 0.210 247 G C 1.043 175.996 174.900 0.087 0.000 1.000 247 G CA 0.768 45.924 45.100 0.094 0.000 0.635 247 G HN 1.646 nan 8.290 nan 0.000 0.495 248 W N 2.501 123.827 121.300 0.044 0.000 2.350 248 W HA -0.127 4.534 4.660 0.001 0.000 0.289 248 W C 1.757 178.296 176.519 0.034 0.000 1.215 248 W CA 2.593 59.955 57.345 0.029 0.000 1.236 248 W CB -1.608 27.859 29.460 0.011 0.000 1.130 248 W HN 0.622 nan 8.180 nan 0.000 0.541 249 T N -1.570 112.523 114.554 -0.769 0.000 2.881 249 T HA 0.141 4.492 4.350 0.001 0.000 0.270 249 T C 1.924 176.449 174.700 -0.292 0.000 1.068 249 T CA 2.069 63.679 62.100 -0.818 0.000 1.131 249 T CB -0.931 67.450 68.868 -0.812 0.000 0.871 249 T HN 0.681 nan 8.240 nan 0.000 0.479 250 G N 0.458 109.174 108.800 -0.140 0.000 2.179 250 G HA2 -0.162 3.799 3.960 0.001 0.000 0.220 250 G HA3 -0.162 3.799 3.960 0.001 0.000 0.220 250 G C -0.153 174.728 174.900 -0.033 0.000 0.990 250 G CA -0.077 44.994 45.100 -0.048 0.000 0.646 250 G HN 0.687 nan 8.290 nan 0.000 0.517 251 L N 1.216 122.405 121.223 -0.056 0.000 2.456 251 L HA 0.560 4.900 4.340 0.001 0.000 0.272 251 L C 0.501 177.390 176.870 0.031 0.000 1.189 251 L CA 0.407 55.242 54.840 -0.008 0.000 0.846 251 L CB 0.760 42.812 42.059 -0.013 0.000 1.111 251 L HN 0.307 nan 8.230 nan 0.000 0.475 252 Q N 2.482 122.311 119.800 0.048 0.000 2.445 252 Q HA 0.452 4.792 4.340 0.001 0.000 0.281 252 Q C 0.581 176.615 176.000 0.058 0.000 1.101 252 Q CA -0.079 55.759 55.803 0.059 0.000 0.833 252 Q CB 1.651 30.422 28.738 0.056 0.000 1.416 252 Q HN 0.753 nan 8.270 nan 0.000 0.451 253 A N 0.457 123.303 122.820 0.044 0.000 2.070 253 A HA -0.132 4.189 4.320 0.001 0.000 0.220 253 A C 1.419 179.004 177.584 0.002 0.000 1.159 253 A CA 1.984 54.010 52.037 -0.018 0.000 0.656 253 A CB -0.276 18.692 19.000 -0.054 0.000 0.800 253 A HN 0.597 nan 8.150 nan 0.000 0.453 254 S N -0.610 115.120 115.700 0.050 0.000 2.557 254 S HA 0.178 4.648 4.470 0.001 0.000 0.223 254 S C -0.225 174.445 174.600 0.116 0.000 0.969 254 S CA -0.544 57.701 58.200 0.076 0.000 0.927 254 S CB 0.056 63.301 63.200 0.075 0.000 0.806 254 S HN 0.413 nan 8.310 nan 0.000 0.489 255 D N 1.457 121.929 120.400 0.120 0.000 2.387 255 D HA 0.540 5.181 4.640 0.001 0.000 0.255 255 D C -0.419 175.985 176.300 0.174 0.000 1.081 255 D CA -0.515 53.577 54.000 0.154 0.000 0.994 255 D CB 1.100 41.972 40.800 0.120 0.000 1.127 255 D HN 0.159 nan 8.370 nan 0.000 0.513 256 I N 0.821 121.504 120.570 0.189 0.000 2.378 256 I HA 0.318 4.488 4.170 0.001 0.000 0.291 256 I C -0.159 176.045 176.117 0.145 0.000 0.992 256 I CA -0.460 60.954 61.300 0.190 0.000 1.154 256 I CB 1.591 39.703 38.000 0.186 0.000 1.315 256 I HN 0.030 nan 8.210 nan 0.000 0.448 257 M N 6.453 126.148 119.600 0.158 0.000 2.311 257 M HA 0.375 4.855 4.480 0.001 0.000 0.325 257 M C -2.037 174.402 176.300 0.230 0.000 1.061 257 M CA -0.536 54.848 55.300 0.140 0.000 0.957 257 M CB 1.910 34.563 32.600 0.088 0.000 1.646 257 M HN 0.665 nan 8.290 nan 0.000 0.434 258 W N 5.510 126.792 121.300 -0.029 0.000 2.296 258 W HA 0.475 5.136 4.660 0.001 0.000 0.316 258 W C -1.282 175.218 176.519 -0.032 0.000 1.022 258 W CA -0.539 56.798 57.345 -0.013 0.000 1.324 258 W CB 1.193 30.583 29.460 -0.118 0.000 1.227 258 W HN 0.540 nan 8.180 nan 0.000 0.409 259 T N 7.816 122.469 114.554 0.165 0.000 2.743 259 T HA 0.417 4.768 4.350 0.001 0.000 0.293 259 T C 0.156 174.775 174.700 -0.135 0.000 0.945 259 T CA -0.184 61.897 62.100 -0.032 0.000 1.030 259 T CB 0.322 69.219 68.868 0.048 0.000 0.912 259 T HN 0.186 nan 8.240 nan 0.000 0.483 260 I N 3.427 123.796 120.570 -0.335 0.000 2.306 260 I HA 0.470 4.641 4.170 0.001 0.000 0.288 260 I C 0.407 176.494 176.117 -0.050 0.000 1.036 260 I CA -0.187 60.925 61.300 -0.313 0.000 1.221 260 I CB 0.776 38.431 38.000 -0.575 0.000 1.385 260 I HN 0.500 nan 8.210 nan 0.000 0.472 261 S N 4.716 120.431 115.700 0.026 0.000 2.542 261 S HA 0.142 4.613 4.470 0.001 0.000 0.276 261 S C -1.154 173.433 174.600 -0.021 0.000 1.148 261 S CA -0.840 57.398 58.200 0.063 0.000 0.886 261 S CB 1.684 64.900 63.200 0.027 0.000 1.109 261 S HN 0.666 nan 8.310 nan 0.000 0.458 262 D N 2.149 122.505 120.400 -0.074 0.000 2.488 262 D HA 0.024 4.664 4.640 0.001 0.000 0.238 262 D C 1.686 177.641 176.300 -0.575 0.000 1.138 262 D CA 0.835 54.617 54.000 -0.363 0.000 0.873 262 D CB 1.457 41.852 40.800 -0.676 0.000 1.183 262 D HN 0.733 nan 8.370 nan 0.000 0.458 263 T N 0.620 114.795 114.554 -0.631 0.000 2.929 263 T HA -0.042 4.309 4.350 0.001 0.000 0.271 263 T C 1.811 176.115 174.700 -0.661 0.000 1.085 263 T CA 0.913 62.411 62.100 -1.004 0.000 1.125 263 T CB -0.260 67.695 68.868 -1.521 0.000 0.874 263 T HN 0.427 nan 8.240 nan 0.000 0.494 264 G N 0.214 108.660 108.800 -0.589 0.000 2.484 264 G HA2 0.135 4.095 3.960 0.001 0.000 0.218 264 G HA3 0.135 4.095 3.960 0.001 0.000 0.218 264 G C 0.272 175.198 174.900 0.042 0.000 1.130 264 G CA -0.589 44.316 45.100 -0.325 0.000 0.784 264 G HN 0.668 nan 8.290 nan 0.000 0.543 265 W N -1.038 120.340 121.300 0.129 0.000 2.303 265 W HA 0.480 5.141 4.660 0.001 0.000 0.334 265 W C 1.290 177.846 176.519 0.063 0.000 1.197 265 W CA -1.425 55.989 57.345 0.115 0.000 1.262 265 W CB 1.134 30.578 29.460 -0.025 0.000 1.153 265 W HN -0.151 nan 8.180 nan 0.000 0.596 266 I N 1.994 122.582 120.570 0.031 0.000 2.530 266 I HA -0.309 3.861 4.170 0.001 0.000 0.257 266 I C 2.183 178.220 176.117 -0.133 0.000 1.179 266 I CA 1.001 62.042 61.300 -0.432 0.000 1.440 266 I CB -0.078 37.517 38.000 -0.675 0.000 1.087 266 I HN 0.559 nan 8.210 nan 0.000 0.440 267 L N 1.077 122.299 121.223 -0.002 0.000 2.043 267 L HA -0.309 4.032 4.340 0.001 0.000 0.212 267 L C 2.006 178.878 176.870 0.003 0.000 1.075 267 L CA 2.164 57.010 54.840 0.009 0.000 0.752 267 L CB -1.149 40.941 42.059 0.050 0.000 0.891 267 L HN 0.304 nan 8.230 nan 0.000 0.432 268 N N -0.580 118.116 118.700 -0.007 0.000 2.058 268 N HA -0.228 4.512 4.740 0.001 0.000 0.191 268 N C 1.808 177.306 175.510 -0.020 0.000 1.037 268 N CA 1.867 54.856 53.050 -0.101 0.000 0.848 268 N CB -0.365 37.892 38.487 -0.383 0.000 1.021 268 N HN 0.458 nan 8.380 nan 0.000 0.422 269 I N 0.260 120.888 120.570 0.097 0.000 2.315 269 I HA -0.114 4.057 4.170 0.001 0.000 0.248 269 I C 1.722 177.826 176.117 -0.022 0.000 1.117 269 I CA 1.015 62.384 61.300 0.115 0.000 1.404 269 I CB -0.073 38.085 38.000 0.263 0.000 1.071 269 I HN 0.207 nan 8.210 nan 0.000 0.419 270 L N -1.068 120.133 121.223 -0.037 0.000 2.044 270 L HA -0.194 4.146 4.340 0.001 0.000 0.205 270 L C 2.320 179.192 176.870 0.004 0.000 1.075 270 L CA 1.274 56.089 54.840 -0.041 0.000 0.747 270 L CB -0.570 41.458 42.059 -0.052 0.000 0.903 270 L HN 0.325 nan 8.230 nan 0.000 0.435 271 C N -2.744 116.566 119.300 0.017 0.000 2.464 271 C HA 0.058 4.519 4.460 0.001 0.000 0.348 271 C C 3.112 178.113 174.990 0.017 0.000 1.367 271 C CA 0.336 59.379 59.018 0.041 0.000 2.012 271 C CB 0.335 28.112 27.740 0.062 0.000 2.434 271 C HN 0.468 nan 8.230 nan 0.000 0.536 272 S N 0.322 116.039 115.700 0.028 0.000 2.383 272 S HA -0.028 4.442 4.470 0.001 0.000 0.227 272 S C 1.585 176.174 174.600 -0.018 0.000 1.026 272 S CA 1.387 59.638 58.200 0.085 0.000 0.981 272 S CB -0.143 63.188 63.200 0.218 0.000 0.818 272 S HN 0.585 nan 8.310 nan 0.000 0.472 273 L N -0.510 120.648 121.223 -0.108 0.000 2.379 273 L HA 0.358 4.699 4.340 0.001 0.000 0.190 273 L C 2.324 178.964 176.870 -0.385 0.000 1.111 273 L CA 0.541 55.139 54.840 -0.403 0.000 0.820 273 L CB -0.206 41.720 42.059 -0.221 0.000 1.046 273 L HN 0.277 nan 8.230 nan 0.000 0.485 274 M N -0.222 119.245 119.600 -0.222 0.000 2.200 274 M HA -0.148 4.333 4.480 0.001 0.000 0.265 274 M C 2.019 178.448 176.300 0.216 0.000 1.066 274 M CA 1.642 56.852 55.300 -0.149 0.000 1.127 274 M CB -0.264 32.088 32.600 -0.413 0.000 1.379 274 M HN 0.313 nan 8.290 nan 0.000 0.420 275 E N 1.288 121.558 120.200 0.117 0.000 2.023 275 E HA -0.162 4.188 4.350 0.001 0.000 0.196 275 E C -0.855 175.874 176.600 0.215 0.000 1.003 275 E CA 1.911 58.414 56.400 0.172 0.000 0.809 275 E CB -1.274 28.489 29.700 0.106 0.000 0.755 275 E HN 0.225 nan 8.360 nan 0.000 0.449 276 P HA -0.110 nan 4.420 nan 0.000 0.217 276 P C 0.784 178.354 177.300 0.451 0.000 1.151 276 P CA 1.238 64.472 63.100 0.223 0.000 0.828 276 P CB -0.298 31.495 31.700 0.155 0.000 0.788 277 W N 0.326 121.865 121.300 0.398 0.000 2.595 277 W HA 0.240 4.901 4.660 0.001 0.000 0.257 277 W C 2.449 179.268 176.519 0.501 0.000 1.267 277 W CA 0.255 57.897 57.345 0.496 0.000 1.300 277 W CB -1.831 28.037 29.460 0.680 0.000 1.120 277 W HN -0.003 nan 8.180 nan 0.000 0.618 278 A N 0.123 123.398 122.820 0.759 0.000 1.972 278 A HA -0.108 4.212 4.320 0.001 0.000 0.219 278 A C 1.977 179.917 177.584 0.594 0.000 1.169 278 A CA 1.250 53.666 52.037 0.631 0.000 0.635 278 A CB -0.748 18.584 19.000 0.554 0.000 0.810 278 A HN 0.253 nan 8.150 nan 0.000 0.446 279 L N -1.624 119.838 121.223 0.398 0.000 2.567 279 L HA 0.244 4.585 4.340 0.001 0.000 0.225 279 L C 1.600 178.344 176.870 -0.210 0.000 1.119 279 L CA 0.457 55.450 54.840 0.255 0.000 0.871 279 L CB -0.123 42.036 42.059 0.166 0.000 1.036 279 L HN 0.542 nan 8.230 nan 0.000 0.459 280 G N 0.611 108.967 108.800 -0.740 0.000 2.143 280 G HA2 -0.262 3.698 3.960 0.001 0.000 0.248 280 G HA3 -0.262 3.698 3.960 0.001 0.000 0.248 280 G C 0.338 174.960 174.900 -0.462 0.000 0.991 280 G CA 0.207 44.224 45.100 -1.805 0.000 0.689 280 G HN 0.505 nan 8.290 nan 0.000 0.522 281 A N -1.290 121.545 122.820 0.026 0.000 2.242 281 A HA 0.754 5.075 4.320 0.001 0.000 0.304 281 A C 0.880 178.690 177.584 0.376 0.000 1.100 281 A CA 0.261 52.404 52.037 0.177 0.000 0.860 281 A CB 1.000 20.087 19.000 0.144 0.000 1.168 281 A HN 1.534 nan 8.150 nan 0.000 0.503 282 C N -0.197 119.280 119.300 0.296 0.000 2.350 282 C HA 0.714 5.175 4.460 0.001 0.000 0.348 282 C C 0.681 175.858 174.990 0.311 0.000 1.260 282 C CA 0.018 59.226 59.018 0.317 0.000 1.966 282 C CB 0.170 28.082 27.740 0.287 0.000 2.380 282 C HN 0.831 nan 8.230 nan 0.000 0.535 283 T N 4.766 119.516 114.554 0.328 0.000 2.794 283 T HA 0.527 4.877 4.350 0.001 0.000 0.280 283 T C -1.040 173.753 174.700 0.155 0.000 0.987 283 T CA -0.193 62.021 62.100 0.189 0.000 0.993 283 T CB 0.338 69.210 68.868 0.007 0.000 0.939 283 T HN 0.539 nan 8.240 nan 0.000 0.449 284 F N 5.351 125.276 119.950 -0.042 0.000 2.420 284 F HA 0.684 5.212 4.527 0.001 0.000 0.342 284 F C -0.826 174.808 175.800 -0.277 0.000 1.113 284 F CA -0.506 57.340 58.000 -0.256 0.000 1.059 284 F CB 1.081 39.793 39.000 -0.481 0.000 1.128 284 F HN 0.259 nan 8.300 nan 0.000 0.475 285 V N 5.832 125.309 119.914 -0.728 0.000 2.531 285 V HA 0.258 4.379 4.120 0.001 0.000 0.301 285 V C -0.870 174.771 176.094 -0.756 0.000 1.034 285 V CA -0.769 61.263 62.300 -0.447 0.000 0.865 285 V CB 1.365 32.946 31.823 -0.404 0.000 0.995 285 V HN 0.654 nan 8.190 nan 0.000 0.424 286 H N 4.022 122.811 119.070 -0.469 0.000 2.476 286 H HA 0.351 4.907 4.556 0.001 0.000 0.328 286 H C 0.531 175.700 175.328 -0.266 0.000 1.073 286 H CA -0.541 55.199 56.048 -0.514 0.000 1.229 286 H CB 2.081 31.661 29.762 -0.303 0.000 1.432 286 H HN 0.627 nan 8.280 nan 0.000 0.477 287 L N 5.887 127.020 121.223 -0.150 0.000 2.043 287 L HA -0.171 4.169 4.340 0.001 0.000 0.212 287 L C 1.099 178.050 176.870 0.134 0.000 1.075 287 L CA 1.310 56.210 54.840 0.100 0.000 0.752 287 L CB -0.624 41.484 42.059 0.081 0.000 0.891 287 L HN 0.766 nan 8.230 nan 0.000 0.432 288 L N -0.029 121.310 121.223 0.194 0.000 3.795 288 L HA -0.182 4.159 4.340 0.001 0.000 0.489 288 L C -1.447 175.396 176.870 -0.044 0.000 1.259 288 L CA 0.645 55.427 54.840 -0.097 0.000 0.765 288 L CB -1.158 40.746 42.059 -0.258 0.000 1.519 288 L HN 0.337 nan 8.230 nan 0.000 0.842 289 P HA -0.046 nan 4.420 nan 0.000 0.220 289 P C 0.424 177.755 177.300 0.051 0.000 1.148 289 P CA 2.040 65.170 63.100 0.049 0.000 0.803 289 P CB -0.005 31.730 31.700 0.060 0.000 0.782 290 K N 0.159 120.577 120.400 0.031 0.000 2.345 290 K HA 0.366 4.687 4.320 0.001 0.000 0.255 290 K C -1.094 175.539 176.600 0.055 0.000 0.934 290 K CA -0.922 55.405 56.287 0.066 0.000 0.801 290 K CB 0.287 32.819 32.500 0.053 0.000 1.137 290 K HN -0.076 nan 8.250 nan 0.000 0.424 291 F N 3.246 123.190 119.950 -0.010 0.000 2.468 291 F HA 0.208 4.735 4.527 0.001 0.000 0.356 291 F C 0.166 175.940 175.800 -0.043 0.000 1.167 291 F CA 0.101 58.080 58.000 -0.035 0.000 1.135 291 F CB 0.642 39.629 39.000 -0.023 0.000 1.197 291 F HN 0.636 nan 8.300 nan 0.000 0.569 292 D N 8.516 128.906 120.400 -0.017 0.000 2.462 292 D HA 0.238 4.879 4.640 0.001 0.000 0.245 292 D C -1.798 174.477 176.300 -0.041 0.000 1.122 292 D CA -2.356 51.647 54.000 0.006 0.000 0.864 292 D CB 1.997 42.783 40.800 -0.023 0.000 1.098 292 D HN 0.169 nan 8.370 nan 0.000 0.541 293 P HA -0.145 nan 4.420 nan 0.000 0.218 293 P C 1.681 178.934 177.300 -0.078 0.000 1.148 293 P CA 0.298 63.383 63.100 -0.026 0.000 0.822 293 P CB 0.732 32.446 31.700 0.022 0.000 0.784 294 L N -0.469 120.732 121.223 -0.036 0.000 2.046 294 L HA -0.114 4.226 4.340 0.001 0.000 0.208 294 L C 2.791 179.623 176.870 -0.065 0.000 1.077 294 L CA 1.493 56.314 54.840 -0.031 0.000 0.747 294 L CB -1.676 40.421 42.059 0.064 0.000 0.896 294 L HN -0.165 nan 8.230 nan 0.000 0.432 295 V N -0.658 119.216 119.914 -0.067 0.000 2.427 295 V HA -0.268 3.853 4.120 0.001 0.000 0.248 295 V C 2.397 178.432 176.094 -0.099 0.000 1.051 295 V CA 1.496 63.743 62.300 -0.088 0.000 1.048 295 V CB -0.339 31.383 31.823 -0.170 0.000 0.666 295 V HN 0.314 nan 8.190 nan 0.000 0.456 296 I N -0.794 119.703 120.570 -0.122 0.000 2.208 296 I HA -0.245 3.926 4.170 0.001 0.000 0.245 296 I C 2.287 178.360 176.117 -0.074 0.000 1.097 296 I CA 1.259 62.533 61.300 -0.043 0.000 1.363 296 I CB -0.286 37.572 38.000 -0.237 0.000 1.051 296 I HN 0.252 nan 8.210 nan 0.000 0.413 297 L N 0.971 122.046 121.223 -0.246 0.000 2.027 297 L HA -0.189 4.152 4.340 0.001 0.000 0.206 297 L C 2.917 179.589 176.870 -0.329 0.000 1.074 297 L CA 2.326 56.881 54.840 -0.476 0.000 0.745 297 L CB -1.611 39.812 42.059 -1.061 0.000 0.898 297 L HN 0.204 nan 8.230 nan 0.000 0.433 298 K N -1.043 119.261 120.400 -0.161 0.000 2.063 298 K HA -0.185 4.136 4.320 0.001 0.000 0.208 298 K C 2.106 178.766 176.600 0.100 0.000 1.048 298 K CA 2.115 58.469 56.287 0.111 0.000 0.928 298 K CB -1.702 30.890 32.500 0.154 0.000 0.713 298 K HN 0.455 nan 8.250 nan 0.000 0.442 299 T N 1.327 115.923 114.554 0.068 0.000 2.708 299 T HA -0.034 4.317 4.350 0.001 0.000 0.266 299 T C 2.040 176.742 174.700 0.002 0.000 1.037 299 T CA 1.352 63.487 62.100 0.058 0.000 1.146 299 T CB -0.306 68.482 68.868 -0.132 0.000 0.865 299 T HN 0.362 nan 8.240 nan 0.000 0.435 300 L N 1.027 122.253 121.223 0.006 0.000 2.129 300 L HA -0.111 4.229 4.340 0.001 0.000 0.212 300 L C 2.465 179.377 176.870 0.070 0.000 1.087 300 L CA 1.067 55.871 54.840 -0.060 0.000 0.757 300 L CB -0.511 41.327 42.059 -0.368 0.000 0.896 300 L HN 0.228 nan 8.230 nan 0.000 0.434 301 S N -1.680 114.121 115.700 0.169 0.000 2.593 301 S HA 0.022 4.493 4.470 0.001 0.000 0.217 301 S C 1.722 176.384 174.600 0.104 0.000 0.966 301 S CA 0.434 58.786 58.200 0.255 0.000 0.914 301 S CB 0.333 63.749 63.200 0.360 0.000 0.776 301 S HN 0.320 nan 8.310 nan 0.000 0.523 302 S N -0.348 115.362 115.700 0.017 0.000 2.549 302 S HA 0.349 4.820 4.470 0.001 0.000 0.225 302 S C -0.341 173.999 174.600 -0.433 0.000 1.039 302 S CA -0.252 57.836 58.200 -0.186 0.000 0.942 302 S CB 0.333 63.383 63.200 -0.250 0.000 0.881 302 S HN 0.453 nan 8.310 nan 0.000 0.503 303 Y N 1.607 121.775 120.300 -0.220 0.000 2.524 303 Y HA 0.440 4.991 4.550 0.001 0.000 0.344 303 Y C -2.537 173.185 175.900 -0.297 0.000 1.012 303 Y CA -2.555 55.343 58.100 -0.337 0.000 1.068 303 Y CB 0.964 38.979 38.460 -0.742 0.000 1.249 303 Y HN -0.136 nan 8.280 nan 0.000 0.468 304 P HA 0.073 nan 4.420 nan 0.000 0.226 304 P C -0.585 176.658 177.300 -0.095 0.000 1.783 304 P CA 0.322 63.253 63.100 -0.281 0.000 0.980 304 P CB -0.515 30.923 31.700 -0.437 0.000 1.967 305 I N 1.996 122.530 120.570 -0.060 0.000 2.436 305 I HA 0.096 4.266 4.170 0.001 0.000 0.289 305 I C 1.586 177.817 176.117 0.191 0.000 1.083 305 I CA 0.072 61.355 61.300 -0.029 0.000 1.372 305 I CB 1.026 38.936 38.000 -0.150 0.000 1.408 305 I HN 0.092 nan 8.210 nan 0.000 0.516 306 K N 4.188 124.714 120.400 0.211 0.000 2.128 306 K HA 0.114 4.434 4.320 0.001 0.000 0.202 306 K C 0.370 177.024 176.600 0.091 0.000 1.050 306 K CA 0.847 57.233 56.287 0.165 0.000 0.966 306 K CB 0.413 32.992 32.500 0.132 0.000 0.759 306 K HN 0.590 nan 8.250 nan 0.000 0.454 307 S N 0.351 116.096 115.700 0.076 0.000 2.513 307 S HA 0.565 5.035 4.470 0.001 0.000 0.299 307 S C -0.771 173.855 174.600 0.044 0.000 1.087 307 S CA -0.955 57.267 58.200 0.037 0.000 1.012 307 S CB 1.618 64.810 63.200 -0.013 0.000 1.044 307 S HN 0.338 nan 8.310 nan 0.000 0.485 308 M N 1.440 121.046 119.600 0.010 0.000 2.518 308 M HA 0.834 5.315 4.480 0.001 0.000 0.300 308 M C -1.265 174.993 176.300 -0.070 0.000 1.175 308 M CA -0.902 54.363 55.300 -0.059 0.000 0.890 308 M CB 2.001 34.507 32.600 -0.157 0.000 1.710 308 M HN 0.561 nan 8.290 nan 0.000 0.453 309 M N 2.377 121.902 119.600 -0.125 0.000 2.395 309 M HA 0.923 5.403 4.480 0.001 0.000 0.307 309 M C -1.130 175.081 176.300 -0.149 0.000 1.091 309 M CA -0.158 55.100 55.300 -0.069 0.000 0.919 309 M CB 2.223 34.801 32.600 -0.036 0.000 1.662 309 M HN 0.983 nan 8.290 nan 0.000 0.440 310 G N 2.317 111.074 108.800 -0.071 0.000 2.601 310 G HA2 0.728 4.689 3.960 0.001 0.000 0.291 310 G HA3 0.728 4.689 3.960 0.001 0.000 0.291 310 G C -1.746 173.137 174.900 -0.029 0.000 1.456 310 G CA -0.385 44.631 45.100 -0.140 0.000 0.804 310 G HN 1.043 nan 8.290 nan 0.000 0.499 311 A N 0.803 123.570 122.820 -0.087 0.000 2.448 311 A HA 0.606 4.927 4.320 0.001 0.000 0.239 311 A C -0.934 176.634 177.584 -0.027 0.000 1.080 311 A CA -0.526 51.455 52.037 -0.094 0.000 0.779 311 A CB 0.252 19.132 19.000 -0.200 0.000 1.026 311 A HN 0.374 nan 8.150 nan 0.000 0.499 312 P HA -0.179 nan 4.420 nan 0.000 0.216 312 P C 1.458 178.755 177.300 -0.006 0.000 1.150 312 P CA 0.989 64.099 63.100 0.015 0.000 0.843 312 P CB -0.014 31.649 31.700 -0.063 0.000 0.787 313 I N -0.566 119.951 120.570 -0.088 0.000 2.248 313 I HA -0.230 3.941 4.170 0.001 0.000 0.248 313 I C 1.901 177.944 176.117 -0.123 0.000 1.107 313 I CA 1.583 62.815 61.300 -0.114 0.000 1.373 313 I CB -0.761 37.132 38.000 -0.178 0.000 1.055 313 I HN -0.218 nan 8.210 nan 0.000 0.418 314 V N -0.147 119.667 119.914 -0.166 0.000 2.287 314 V HA -0.338 3.783 4.120 0.001 0.000 0.248 314 V C 2.258 178.199 176.094 -0.255 0.000 1.053 314 V CA 2.219 64.395 62.300 -0.207 0.000 1.027 314 V CB -1.151 30.495 31.823 -0.295 0.000 0.646 314 V HN 0.417 nan 8.190 nan 0.000 0.447 315 Y N 0.305 120.467 120.300 -0.231 0.000 2.274 315 Y HA -0.125 4.426 4.550 0.001 0.000 0.290 315 Y C 2.687 178.527 175.900 -0.100 0.000 1.145 315 Y CA 1.306 59.222 58.100 -0.305 0.000 1.203 315 Y CB -0.319 37.840 38.460 -0.502 0.000 0.984 315 Y HN 0.120 nan 8.280 nan 0.000 0.533 316 R N -0.639 119.895 120.500 0.056 0.000 2.090 316 R HA -0.099 4.242 4.340 0.001 0.000 0.228 316 R C 2.133 178.464 176.300 0.052 0.000 1.110 316 R CA 1.375 57.510 56.100 0.059 0.000 0.973 316 R CB -0.331 29.981 30.300 0.021 0.000 0.869 316 R HN 0.407 nan 8.270 nan 0.000 0.440 317 M N 0.588 120.197 119.600 0.015 0.000 2.132 317 M HA -0.143 4.337 4.480 0.001 0.000 0.263 317 M C 2.278 178.612 176.300 0.056 0.000 1.065 317 M CA 1.607 56.923 55.300 0.026 0.000 1.122 317 M CB -0.296 32.311 32.600 0.011 0.000 1.365 317 M HN 0.132 nan 8.290 nan 0.000 0.411 318 L N 0.073 121.330 121.223 0.057 0.000 2.012 318 L HA -0.225 4.115 4.340 0.001 0.000 0.210 318 L C 2.308 179.294 176.870 0.192 0.000 1.073 318 L CA 1.256 56.162 54.840 0.110 0.000 0.748 318 L CB -0.705 41.433 42.059 0.131 0.000 0.891 318 L HN 0.341 nan 8.230 nan 0.000 0.431 319 L N -0.662 120.704 121.223 0.237 0.000 2.353 319 L HA -0.202 4.139 4.340 0.001 0.000 0.220 319 L C 2.417 179.374 176.870 0.145 0.000 1.133 319 L CA 0.836 55.814 54.840 0.231 0.000 0.798 319 L CB -0.337 41.871 42.059 0.248 0.000 0.922 319 L HN 0.366 nan 8.230 nan 0.000 0.445 320 Q N -0.874 118.994 119.800 0.113 0.000 2.435 320 Q HA -0.050 4.291 4.340 0.001 0.000 0.207 320 Q C 0.460 176.514 176.000 0.090 0.000 0.956 320 Q CA 0.324 56.178 55.803 0.086 0.000 0.917 320 Q CB 0.296 29.073 28.738 0.065 0.000 0.997 320 Q HN 0.447 nan 8.270 nan 0.000 0.497 321 Q N 0.488 120.353 119.800 0.109 0.000 2.237 321 Q HA 0.112 4.452 4.340 0.001 0.000 0.219 321 Q C -0.568 175.516 176.000 0.140 0.000 0.999 321 Q CA -0.127 55.752 55.803 0.125 0.000 0.959 321 Q CB 0.332 29.151 28.738 0.135 0.000 1.173 321 Q HN -0.056 nan 8.270 nan 0.000 0.527 322 D N 0.481 120.978 120.400 0.162 0.000 2.468 322 D HA 0.158 4.799 4.640 0.001 0.000 0.218 322 D C 0.494 176.925 176.300 0.220 0.000 1.155 322 D CA 0.029 54.114 54.000 0.142 0.000 0.924 322 D CB -0.107 40.746 40.800 0.089 0.000 1.029 322 D HN 0.375 nan 8.370 nan 0.000 0.515 323 L N 2.239 123.581 121.223 0.197 0.000 2.362 323 L HA -0.104 4.237 4.340 0.001 0.000 0.219 323 L C 2.410 179.363 176.870 0.139 0.000 1.134 323 L CA 0.748 55.736 54.840 0.246 0.000 0.807 323 L CB -0.438 41.700 42.059 0.131 0.000 0.927 323 L HN 0.404 nan 8.230 nan 0.000 0.447 324 S N -1.156 114.574 115.700 0.049 0.000 2.400 324 S HA -0.180 4.291 4.470 0.001 0.000 0.232 324 S C 1.959 176.522 174.600 -0.062 0.000 1.025 324 S CA 1.465 59.652 58.200 -0.021 0.000 0.993 324 S CB -0.437 62.747 63.200 -0.026 0.000 0.808 324 S HN 0.391 nan 8.310 nan 0.000 0.478 325 S N 0.330 115.972 115.700 -0.097 0.000 2.547 325 S HA 0.183 4.654 4.470 0.001 0.000 0.235 325 S C -0.377 173.903 174.600 -0.534 0.000 0.980 325 S CA 0.323 58.322 58.200 -0.335 0.000 0.941 325 S CB -0.335 62.570 63.200 -0.491 0.000 0.763 325 S HN 0.689 nan 8.310 nan 0.000 0.532 326 Y N 0.638 120.945 120.300 0.012 0.000 2.499 326 Y HA 0.636 5.186 4.550 0.001 0.000 0.347 326 Y C 0.087 175.916 175.900 -0.118 0.000 0.987 326 Y CA -1.181 56.948 58.100 0.048 0.000 1.044 326 Y CB 1.219 39.817 38.460 0.230 0.000 1.245 326 Y HN -0.302 nan 8.280 nan 0.000 0.461 327 K N 2.790 123.213 120.400 0.038 0.000 2.422 327 K HA 0.527 4.848 4.320 0.001 0.000 0.251 327 K C -1.555 174.998 176.600 -0.078 0.000 0.933 327 K CA -0.773 55.368 56.287 -0.242 0.000 0.798 327 K CB 1.979 34.390 32.500 -0.149 0.000 1.238 327 K HN 0.670 nan 8.250 nan 0.000 0.428 328 F N 0.149 120.133 119.950 0.057 0.000 2.766 328 F HA 0.312 4.839 4.527 0.001 0.000 0.355 328 F C -1.810 174.032 175.800 0.071 0.000 1.434 328 F CA -1.661 56.382 58.000 0.071 0.000 1.139 328 F CB 0.777 39.826 39.000 0.082 0.000 1.816 328 F HN 0.251 nan 8.300 nan 0.000 0.600 329 P HA -0.202 nan 4.420 nan 0.000 0.222 329 P C 1.169 178.549 177.300 0.133 0.000 1.147 329 P CA 1.612 64.757 63.100 0.075 0.000 0.790 329 P CB 0.221 31.949 31.700 0.047 0.000 0.780 330 H N -0.600 118.537 119.070 0.111 0.000 2.457 330 H HA 0.050 4.607 4.556 0.001 0.000 0.294 330 H C 0.711 176.112 175.328 0.122 0.000 1.064 330 H CA 0.158 56.266 56.048 0.100 0.000 1.330 330 H CB -0.508 29.305 29.762 0.086 0.000 1.395 330 H HN -0.019 nan 8.280 nan 0.000 0.541 331 L N 1.264 122.639 121.223 0.253 0.000 2.418 331 L HA 0.022 4.363 4.340 0.001 0.000 0.274 331 L C 0.432 177.397 176.870 0.158 0.000 1.135 331 L CA 0.426 55.397 54.840 0.218 0.000 0.870 331 L CB 0.870 43.122 42.059 0.321 0.000 1.154 331 L HN 0.265 nan 8.230 nan 0.000 0.462 332 Q N 2.330 122.185 119.800 0.091 0.000 2.342 332 Q HA 0.313 4.654 4.340 0.001 0.000 0.261 332 Q C -0.536 175.514 176.000 0.084 0.000 0.841 332 Q CA 0.379 56.223 55.803 0.068 0.000 0.969 332 Q CB 0.652 29.389 28.738 -0.002 0.000 1.136 332 Q HN 0.644 nan 8.270 nan 0.000 0.528 333 N N 0.400 119.145 118.700 0.076 0.000 2.531 333 N HA 0.260 5.001 4.740 0.001 0.000 0.268 333 N C -1.187 174.356 175.510 0.055 0.000 1.023 333 N CA -0.108 52.966 53.050 0.041 0.000 0.896 333 N CB 1.572 40.043 38.487 -0.027 0.000 1.233 333 N HN -0.011 nan 8.380 nan 0.000 0.512 334 C N 1.928 121.279 119.300 0.084 0.000 2.322 334 C HA 0.731 5.191 4.460 0.001 0.000 0.324 334 C C 0.836 175.803 174.990 -0.039 0.000 1.284 334 C CA -0.898 58.169 59.018 0.083 0.000 1.606 334 C CB 0.124 27.953 27.740 0.148 0.000 2.251 334 C HN 0.522 nan 8.230 nan 0.000 0.502 335 V N 0.937 120.843 119.914 -0.015 0.000 3.126 335 V HA 0.982 5.103 4.120 0.001 0.000 0.314 335 V C -0.488 175.631 176.094 0.042 0.000 1.138 335 V CA -0.243 62.046 62.300 -0.018 0.000 1.034 335 V CB 1.869 33.647 31.823 -0.075 0.000 1.075 335 V HN 0.790 nan 8.190 nan 0.000 0.442 336 T N 0.222 114.815 114.554 0.066 0.000 2.889 336 T HA 0.717 5.067 4.350 0.001 0.000 0.315 336 T C -1.707 173.033 174.700 0.067 0.000 1.291 336 T CA 0.051 62.183 62.100 0.053 0.000 1.028 336 T CB 1.735 70.548 68.868 -0.091 0.000 1.235 336 T HN 1.615 nan 8.240 nan 0.000 0.491 337 V N 2.167 122.093 119.914 0.021 0.000 3.232 337 V HA 0.783 4.903 4.120 0.001 0.000 0.303 337 V C 0.763 176.803 176.094 -0.090 0.000 1.311 337 V CA 0.893 63.178 62.300 -0.025 0.000 1.061 337 V CB 1.693 33.505 31.823 -0.018 0.000 1.085 337 V HN 1.555 nan 8.190 nan 0.000 0.447 338 G N 2.662 111.383 108.800 -0.132 0.000 2.259 338 G HA2 -0.114 3.847 3.960 0.001 0.000 0.217 338 G HA3 -0.114 3.847 3.960 0.001 0.000 0.217 338 G C -0.003 174.773 174.900 -0.206 0.000 1.001 338 G CA 0.445 45.430 45.100 -0.192 0.000 0.627 338 G HN 0.950 nan 8.290 nan 0.000 0.501 339 E N -0.447 119.639 120.200 -0.190 0.000 2.407 339 E HA 0.514 4.865 4.350 0.001 0.000 0.279 339 E C -0.885 175.583 176.600 -0.219 0.000 1.012 339 E CA -0.501 55.771 56.400 -0.214 0.000 0.800 339 E CB 1.717 31.317 29.700 -0.166 0.000 1.276 339 E HN 0.107 nan 8.360 nan 0.000 0.452 340 S N 1.290 116.832 115.700 -0.264 0.000 2.537 340 S HA 0.085 4.556 4.470 0.001 0.000 0.286 340 S C -0.412 174.127 174.600 -0.101 0.000 1.299 340 S CA -0.276 57.810 58.200 -0.191 0.000 1.067 340 S CB 0.032 63.145 63.200 -0.144 0.000 0.864 340 S HN 0.316 nan 8.310 nan 0.000 0.494 341 L N 7.305 128.482 121.223 -0.077 0.000 2.325 341 L HA 0.400 4.741 4.340 0.001 0.000 0.284 341 L C -0.504 176.347 176.870 -0.032 0.000 1.089 341 L CA 0.187 54.987 54.840 -0.067 0.000 0.836 341 L CB 0.001 42.012 42.059 -0.081 0.000 1.184 341 L HN 0.578 nan 8.230 nan 0.000 0.444 342 L N 8.161 129.371 121.223 -0.023 0.000 2.453 342 L HA 0.148 4.489 4.340 0.001 0.000 0.272 342 L C -1.146 175.733 176.870 0.014 0.000 1.182 342 L CA -1.277 53.565 54.840 0.004 0.000 0.858 342 L CB 0.487 42.553 42.059 0.012 0.000 1.120 342 L HN 0.541 nan 8.230 nan 0.000 0.474 343 P HA -0.163 nan 4.420 nan 0.000 0.218 343 P C 0.827 178.153 177.300 0.043 0.000 1.148 343 P CA 1.114 64.238 63.100 0.040 0.000 0.822 343 P CB 0.307 32.034 31.700 0.045 0.000 0.784 344 E N -1.345 118.879 120.200 0.041 0.000 2.106 344 E HA -0.101 4.249 4.350 0.001 0.000 0.192 344 E C 1.897 178.534 176.600 0.061 0.000 0.984 344 E CA 1.437 57.866 56.400 0.048 0.000 0.806 344 E CB -1.265 28.460 29.700 0.042 0.000 0.750 344 E HN 0.230 nan 8.360 nan 0.000 0.458 345 T N 1.467 116.051 114.554 0.050 0.000 2.737 345 T HA -0.134 4.217 4.350 0.001 0.000 0.265 345 T C 1.843 176.590 174.700 0.077 0.000 1.038 345 T CA 1.052 63.188 62.100 0.060 0.000 1.144 345 T CB -0.368 68.507 68.868 0.012 0.000 0.866 345 T HN 0.069 nan 8.240 nan 0.000 0.434 346 L N 1.331 122.576 121.223 0.037 0.000 2.043 346 L HA -0.118 4.223 4.340 0.001 0.000 0.212 346 L C 2.439 179.382 176.870 0.121 0.000 1.075 346 L CA 2.016 56.888 54.840 0.052 0.000 0.752 346 L CB -0.513 41.566 42.059 0.034 0.000 0.891 346 L HN 0.304 nan 8.230 nan 0.000 0.432 347 E N -0.947 119.312 120.200 0.098 0.000 2.046 347 E HA -0.251 4.100 4.350 0.001 0.000 0.190 347 E C 2.044 178.712 176.600 0.113 0.000 0.982 347 E CA 0.982 57.438 56.400 0.093 0.000 0.800 347 E CB -0.196 29.544 29.700 0.067 0.000 0.756 347 E HN 0.532 nan 8.360 nan 0.000 0.449 348 N N 0.812 119.588 118.700 0.126 0.000 2.061 348 N HA -0.220 4.521 4.740 0.001 0.000 0.193 348 N C 1.467 177.093 175.510 0.192 0.000 1.030 348 N CA 1.336 54.469 53.050 0.138 0.000 0.856 348 N CB -0.540 38.032 38.487 0.142 0.000 1.023 348 N HN 0.450 nan 8.380 nan 0.000 0.424 349 W N 1.760 123.088 121.300 0.047 0.000 2.358 349 W HA -0.144 4.517 4.660 0.001 0.000 0.303 349 W C 2.031 178.587 176.519 0.062 0.000 1.208 349 W CA 1.013 58.400 57.345 0.070 0.000 1.274 349 W CB -0.193 29.297 29.460 0.050 0.000 1.138 349 W HN 0.121 nan 8.180 nan 0.000 0.515 350 R N 0.303 120.919 120.500 0.193 0.000 2.080 350 R HA -0.186 4.154 4.340 0.001 0.000 0.236 350 R C 2.562 178.851 176.300 -0.018 0.000 1.137 350 R CA 2.293 58.434 56.100 0.068 0.000 0.943 350 R CB -1.065 29.290 30.300 0.091 0.000 0.846 350 R HN 0.136 nan 8.270 nan 0.000 0.431 351 A N 0.675 123.500 122.820 0.009 0.000 1.908 351 A HA -0.191 4.130 4.320 0.001 0.000 0.218 351 A C 2.009 179.557 177.584 -0.060 0.000 1.181 351 A CA 1.305 53.334 52.037 -0.014 0.000 0.627 351 A CB -0.252 18.755 19.000 0.011 0.000 0.818 351 A HN 0.238 nan 8.150 nan 0.000 0.445 352 Q N -1.119 118.626 119.800 -0.091 0.000 2.212 352 Q HA -0.047 4.293 4.340 0.001 0.000 0.199 352 Q C 2.003 177.846 176.000 -0.262 0.000 0.950 352 Q CA 1.907 57.625 55.803 -0.141 0.000 0.863 352 Q CB -0.292 28.387 28.738 -0.098 0.000 0.944 352 Q HN 0.853 nan 8.270 nan 0.000 0.465 353 T N -4.975 109.341 114.554 -0.397 0.000 2.975 353 T HA 0.349 4.699 4.350 0.001 0.000 0.257 353 T C 1.301 175.837 174.700 -0.273 0.000 1.003 353 T CA 0.775 62.603 62.100 -0.454 0.000 0.932 353 T CB 0.755 69.164 68.868 -0.766 0.000 1.087 353 T HN 0.319 nan 8.240 nan 0.000 0.512 354 G N 1.518 110.206 108.800 -0.186 0.000 2.184 354 G HA2 -0.196 3.765 3.960 0.001 0.000 0.264 354 G HA3 -0.196 3.765 3.960 0.001 0.000 0.264 354 G C -0.129 174.758 174.900 -0.023 0.000 0.975 354 G CA 0.448 45.497 45.100 -0.085 0.000 0.642 354 G HN 0.673 nan 8.290 nan 0.000 0.536 355 L N 0.705 121.921 121.223 -0.012 0.000 2.331 355 L HA 0.547 4.887 4.340 0.001 0.000 0.275 355 L C -0.146 176.884 176.870 0.266 0.000 1.022 355 L CA -1.314 53.615 54.840 0.149 0.000 0.812 355 L CB 1.147 43.380 42.059 0.290 0.000 1.257 355 L HN -0.053 nan 8.230 nan 0.000 0.435 356 D N 1.903 122.433 120.400 0.217 0.000 2.329 356 D HA 0.429 5.070 4.640 0.001 0.000 0.246 356 D C -0.251 176.148 176.300 0.165 0.000 1.111 356 D CA 0.086 54.200 54.000 0.189 0.000 0.941 356 D CB 1.918 42.787 40.800 0.115 0.000 1.169 356 D HN 0.228 nan 8.370 nan 0.000 0.441 357 I N 1.227 121.808 120.570 0.018 0.000 2.354 357 I HA 0.282 4.453 4.170 0.001 0.000 0.292 357 I C 0.485 176.554 176.117 -0.080 0.000 0.989 357 I CA -0.661 60.520 61.300 -0.199 0.000 1.188 357 I CB 1.309 38.957 38.000 -0.586 0.000 1.342 357 I HN -0.071 nan 8.210 nan 0.000 0.457 358 R N 4.834 125.320 120.500 -0.025 0.000 2.255 358 R HA 0.324 4.664 4.340 0.001 0.000 0.326 358 R C -0.357 176.014 176.300 0.120 0.000 0.986 358 R CA -0.600 55.551 56.100 0.085 0.000 0.847 358 R CB 1.658 32.053 30.300 0.158 0.000 1.111 358 R HN 0.591 nan 8.270 nan 0.000 0.452 359 E N 1.731 121.994 120.200 0.105 0.000 2.319 359 E HA 0.209 4.560 4.350 0.001 0.000 0.268 359 E C -0.721 175.940 176.600 0.101 0.000 1.050 359 E CA -0.328 56.122 56.400 0.083 0.000 0.878 359 E CB 1.006 30.735 29.700 0.048 0.000 1.066 359 E HN 0.646 nan 8.360 nan 0.000 0.406 360 S N 2.504 118.239 115.700 0.058 0.000 2.661 360 S HA 0.522 4.993 4.470 0.001 0.000 0.285 360 S C -1.439 173.167 174.600 0.009 0.000 1.138 360 S CA -0.856 57.306 58.200 -0.063 0.000 0.855 360 S CB 1.322 64.363 63.200 -0.266 0.000 1.136 360 S HN 0.573 nan 8.310 nan 0.000 0.484 361 Y N -0.293 119.906 120.300 -0.169 0.000 2.470 361 Y HA 0.728 5.279 4.550 0.001 0.000 0.341 361 Y C -0.314 175.507 175.900 -0.133 0.000 1.021 361 Y CA 0.324 58.340 58.100 -0.140 0.000 1.025 361 Y CB 1.449 39.840 38.460 -0.115 0.000 1.266 361 Y HN 1.375 nan 8.280 nan 0.000 0.448 362 G N 4.215 112.517 108.800 -0.831 0.000 2.430 362 G HA2 0.502 4.462 3.960 0.001 0.000 0.300 362 G HA3 0.502 4.462 3.960 0.001 0.000 0.300 362 G C -2.289 172.289 174.900 -0.536 0.000 1.330 362 G CA -0.708 43.983 45.100 -0.681 0.000 0.813 362 G HN 0.905 nan 8.290 nan 0.000 0.487 363 Q N -1.939 117.656 119.800 -0.342 0.000 2.626 363 Q HA 0.596 4.937 4.340 0.001 0.000 0.300 363 Q C 0.375 176.265 176.000 -0.182 0.000 0.988 363 Q CA -0.198 55.468 55.803 -0.229 0.000 0.761 363 Q CB 1.064 29.707 28.738 -0.158 0.000 1.494 363 Q HN 0.328 nan 8.270 nan 0.000 0.439 364 T N 0.612 115.079 114.554 -0.145 0.000 2.685 364 T HA -0.203 4.148 4.350 0.001 0.000 0.268 364 T C 1.019 175.650 174.700 -0.114 0.000 1.034 364 T CA 2.379 64.407 62.100 -0.120 0.000 1.149 364 T CB -0.174 68.670 68.868 -0.041 0.000 0.860 364 T HN 0.608 nan 8.240 nan 0.000 0.449 365 E N 0.493 120.492 120.200 -0.335 0.000 2.208 365 E HA -0.036 4.315 4.350 0.001 0.000 0.193 365 E C 2.278 178.559 176.600 -0.532 0.000 0.988 365 E CA 1.352 57.238 56.400 -0.857 0.000 0.828 365 E CB -0.049 28.893 29.700 -1.263 0.000 0.763 365 E HN 0.703 nan 8.360 nan 0.000 0.478 366 T N -3.922 110.484 114.554 -0.247 0.000 3.043 366 T HA 0.435 4.785 4.350 0.001 0.000 0.272 366 T C 1.218 175.941 174.700 0.039 0.000 0.990 366 T CA 0.003 62.029 62.100 -0.124 0.000 0.897 366 T CB 0.279 69.050 68.868 -0.162 0.000 1.111 366 T HN 0.220 nan 8.240 nan 0.000 0.529 367 G N 2.525 111.296 108.800 -0.048 0.000 2.581 367 G HA2 -0.190 3.770 3.960 0.001 0.000 0.291 367 G HA3 -0.190 3.770 3.960 0.001 0.000 0.291 367 G C -0.447 174.383 174.900 -0.117 0.000 1.277 367 G CA -0.157 44.878 45.100 -0.108 0.000 0.959 367 G HN 0.563 nan 8.290 nan 0.000 0.554 368 L N 1.625 122.759 121.223 -0.147 0.000 2.565 368 L HA 0.359 4.700 4.340 0.001 0.000 0.275 368 L C 1.840 178.609 176.870 -0.168 0.000 1.137 368 L CA 1.477 56.187 54.840 -0.217 0.000 0.915 368 L CB 0.317 42.198 42.059 -0.297 0.000 1.232 368 L HN 0.684 nan 8.230 nan 0.000 0.473 369 T N 0.495 114.988 114.554 -0.102 0.000 3.046 369 T HA 0.141 4.491 4.350 0.001 0.000 0.242 369 T C 0.423 175.144 174.700 0.035 0.000 1.018 369 T CA 0.273 62.438 62.100 0.108 0.000 1.131 369 T CB 0.297 69.182 68.868 0.029 0.000 0.904 369 T HN 0.516 nan 8.240 nan 0.000 0.459 370 C N 3.256 122.547 119.300 -0.015 0.000 2.634 370 C HA 0.892 5.352 4.460 0.001 0.000 0.313 370 C C -0.550 174.330 174.990 -0.184 0.000 1.198 370 C CA -1.120 57.856 59.018 -0.069 0.000 1.605 370 C CB 1.278 29.008 27.740 -0.017 0.000 2.196 370 C HN 0.559 nan 8.230 nan 0.000 0.486 371 M N 0.983 120.435 119.600 -0.246 0.000 2.520 371 M HA 0.582 5.062 4.480 0.001 0.000 0.280 371 M C -1.744 174.467 176.300 -0.149 0.000 1.232 371 M CA -0.539 54.559 55.300 -0.337 0.000 0.892 371 M CB 1.132 33.182 32.600 -0.917 0.000 1.728 371 M HN 0.238 nan 8.290 nan 0.000 0.475 372 V N 2.855 122.770 119.914 0.003 0.000 2.353 372 V HA 0.342 4.463 4.120 0.001 0.000 0.264 372 V C 0.802 177.050 176.094 0.257 0.000 1.049 372 V CA -0.223 62.136 62.300 0.099 0.000 0.896 372 V CB 0.477 32.392 31.823 0.153 0.000 1.025 372 V HN 1.011 nan 8.190 nan 0.000 0.475 373 S N 4.853 120.682 115.700 0.215 0.000 2.624 373 S HA 0.306 4.777 4.470 0.001 0.000 0.263 373 S C 1.206 175.928 174.600 0.204 0.000 1.287 373 S CA -0.518 57.866 58.200 0.307 0.000 0.990 373 S CB 1.043 64.380 63.200 0.229 0.000 0.950 373 S HN 0.514 nan 8.310 nan 0.000 0.561 374 K N 0.829 121.326 120.400 0.162 0.000 2.089 374 K HA -0.132 4.189 4.320 0.001 0.000 0.210 374 K C 2.081 178.738 176.600 0.096 0.000 1.048 374 K CA 2.261 58.608 56.287 0.100 0.000 0.926 374 K CB -1.312 31.228 32.500 0.066 0.000 0.714 374 K HN 0.948 nan 8.250 nan 0.000 0.448 375 T N -2.006 112.607 114.554 0.098 0.000 3.107 375 T HA 0.211 4.561 4.350 0.001 0.000 0.249 375 T C 1.057 175.815 174.700 0.097 0.000 1.096 375 T CA -0.146 62.005 62.100 0.086 0.000 1.012 375 T CB 0.030 68.944 68.868 0.077 0.000 0.977 375 T HN -0.048 nan 8.240 nan 0.000 0.527 376 M N 2.061 121.732 119.600 0.117 0.000 2.249 376 M HA 0.332 4.812 4.480 0.001 0.000 0.351 376 M C 0.293 176.694 176.300 0.168 0.000 1.180 376 M CA -0.653 54.736 55.300 0.149 0.000 1.127 376 M CB 1.368 34.053 32.600 0.141 0.000 1.546 376 M HN 0.024 nan 8.290 nan 0.000 0.461 377 K N 2.819 123.325 120.400 0.177 0.000 2.448 377 K HA 0.206 4.526 4.320 0.001 0.000 0.278 377 K C -1.004 175.711 176.600 0.192 0.000 1.009 377 K CA 0.061 56.425 56.287 0.128 0.000 0.995 377 K CB 0.452 32.983 32.500 0.051 0.000 0.917 377 K HN 0.590 nan 8.250 nan 0.000 0.481 378 I N 4.513 125.161 120.570 0.130 0.000 2.395 378 I HA 0.114 4.284 4.170 0.001 0.000 0.289 378 I C 0.064 176.215 176.117 0.056 0.000 1.023 378 I CA -0.141 61.248 61.300 0.148 0.000 1.350 378 I CB 1.144 39.212 38.000 0.115 0.000 1.409 378 I HN 0.431 nan 8.210 nan 0.000 0.507 379 K N 7.515 127.954 120.400 0.065 0.000 2.449 379 K HA 0.389 4.709 4.320 0.001 0.000 0.257 379 K C -2.490 174.217 176.600 0.178 0.000 0.989 379 K CA -1.772 54.499 56.287 -0.026 0.000 0.916 379 K CB 1.272 33.551 32.500 -0.368 0.000 1.136 379 K HN 0.184 nan 8.250 nan 0.000 0.439 380 P HA -0.083 nan 4.420 nan 0.000 0.261 380 P C 0.718 178.151 177.300 0.222 0.000 1.183 380 P CA 1.071 64.262 63.100 0.152 0.000 0.761 380 P CB 0.581 32.339 31.700 0.097 0.000 0.785 381 G N 1.425 110.316 108.800 0.151 0.000 2.175 381 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 381 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 381 G C -0.372 174.479 174.900 -0.082 0.000 0.982 381 G CA -0.429 44.694 45.100 0.039 0.000 0.641 381 G HN 0.468 nan 8.290 nan 0.000 0.527 382 Y N 0.088 120.443 120.300 0.091 0.000 2.429 382 Y HA 0.597 5.148 4.550 0.001 0.000 0.342 382 Y C 1.424 177.412 175.900 0.147 0.000 1.004 382 Y CA -0.665 57.521 58.100 0.143 0.000 1.075 382 Y CB 1.495 40.087 38.460 0.220 0.000 1.214 382 Y HN 0.141 nan 8.280 nan 0.000 0.455 383 M N 1.297 121.043 119.600 0.244 0.000 2.493 383 M HA 0.544 5.025 4.480 0.001 0.000 0.244 383 M C 0.484 176.858 176.300 0.124 0.000 1.182 383 M CA 0.532 55.917 55.300 0.143 0.000 0.981 383 M CB -0.379 32.250 32.600 0.048 0.000 1.551 383 M HN 0.833 nan 8.290 nan 0.000 0.476 384 G N 1.671 110.571 108.800 0.167 0.000 2.545 384 G HA2 -0.185 3.775 3.960 0.001 0.000 0.216 384 G HA3 -0.185 3.775 3.960 0.001 0.000 0.216 384 G C -0.479 174.382 174.900 -0.065 0.000 1.314 384 G CA -0.291 44.752 45.100 -0.096 0.000 0.906 384 G HN 0.767 nan 8.290 nan 0.000 0.563 385 T N -1.801 112.657 114.554 -0.161 0.000 2.927 385 T HA 0.905 5.255 4.350 0.001 0.000 0.286 385 T C 0.696 175.411 174.700 0.024 0.000 1.040 385 T CA 0.674 62.769 62.100 -0.009 0.000 1.010 385 T CB 1.506 70.279 68.868 -0.158 0.000 1.177 385 T HN 2.421 nan 8.240 nan 0.000 0.546 386 A N 0.807 123.695 122.820 0.113 0.000 2.561 386 A HA 0.539 4.860 4.320 0.001 0.000 0.234 386 A C 1.025 178.599 177.584 -0.018 0.000 1.055 386 A CA -0.072 52.011 52.037 0.076 0.000 0.756 386 A CB -1.049 18.044 19.000 0.155 0.000 0.986 386 A HN 1.507 nan 8.150 nan 0.000 0.505 387 A N 1.918 124.693 122.820 -0.075 0.000 2.492 387 A HA 0.382 4.703 4.320 0.001 0.000 0.236 387 A C 1.626 179.112 177.584 -0.164 0.000 1.078 387 A CA 0.454 52.350 52.037 -0.234 0.000 0.773 387 A CB -0.163 18.534 19.000 -0.505 0.000 1.023 387 A HN 2.035 nan 8.150 nan 0.000 0.504 388 S N -0.633 114.965 115.700 -0.170 0.000 2.489 388 S HA -0.103 4.368 4.470 0.001 0.000 0.228 388 S C 1.295 175.850 174.600 -0.074 0.000 0.995 388 S CA 1.315 59.467 58.200 -0.080 0.000 0.934 388 S CB -0.723 62.446 63.200 -0.051 0.000 0.771 388 S HN 0.641 nan 8.310 nan 0.000 0.522 389 C N 0.910 120.100 119.300 -0.183 0.000 2.562 389 C HA 0.387 4.848 4.460 0.001 0.000 0.266 389 C C -0.141 174.954 174.990 0.175 0.000 1.382 389 C CA -0.560 58.412 59.018 -0.077 0.000 1.742 389 C CB -1.631 26.003 27.740 -0.177 0.000 1.812 389 C HN 0.512 nan 8.230 nan 0.000 0.559 390 Y N 0.468 120.762 120.300 -0.009 0.000 2.409 390 Y HA 0.414 4.965 4.550 0.001 0.000 0.343 390 Y C -0.361 175.564 175.900 0.042 0.000 0.973 390 Y CA -1.903 56.201 58.100 0.006 0.000 1.064 390 Y CB 0.542 38.996 38.460 -0.011 0.000 1.207 390 Y HN -0.025 nan 8.280 nan 0.000 0.452 391 D N 2.811 123.335 120.400 0.207 0.000 2.456 391 D HA 0.381 5.022 4.640 0.001 0.000 0.219 391 D C -1.093 175.352 176.300 0.243 0.000 1.126 391 D CA -0.037 54.079 54.000 0.193 0.000 0.890 391 D CB 0.495 41.380 40.800 0.142 0.000 1.025 391 D HN 0.172 nan 8.370 nan 0.000 0.511 392 V N 4.508 124.576 119.914 0.257 0.000 2.427 392 V HA 0.454 4.574 4.120 0.001 0.000 0.286 392 V C 0.230 176.573 176.094 0.415 0.000 1.034 392 V CA -0.633 61.808 62.300 0.233 0.000 0.893 392 V CB 1.495 33.310 31.823 -0.013 0.000 0.982 392 V HN 0.458 nan 8.190 nan 0.000 0.452 393 Q N 3.032 123.028 119.800 0.326 0.000 2.501 393 Q HA 0.563 4.903 4.340 0.001 0.000 0.288 393 Q C -1.334 174.748 176.000 0.137 0.000 1.051 393 Q CA -0.836 55.109 55.803 0.236 0.000 0.788 393 Q CB 2.983 31.731 28.738 0.017 0.000 1.469 393 Q HN 0.462 nan 8.270 nan 0.000 0.416 394 I N 2.823 123.437 120.570 0.072 0.000 2.342 394 I HA 0.406 4.576 4.170 0.001 0.000 0.291 394 I C 0.508 176.530 176.117 -0.158 0.000 1.010 394 I CA -0.371 60.919 61.300 -0.017 0.000 1.308 394 I CB 0.179 38.171 38.000 -0.013 0.000 1.400 394 I HN 0.542 nan 8.210 nan 0.000 0.488 395 I N 3.305 123.746 120.570 -0.215 0.000 2.740 395 I HA 0.650 4.821 4.170 0.001 0.000 0.303 395 I C -0.549 175.471 176.117 -0.161 0.000 1.044 395 I CA -0.842 60.297 61.300 -0.268 0.000 1.064 395 I CB 2.352 40.063 38.000 -0.482 0.000 1.249 395 I HN 0.454 nan 8.210 nan 0.000 0.433 396 D N 2.515 122.840 120.400 -0.126 0.000 2.506 396 D HA 0.176 4.816 4.640 0.001 0.000 0.272 396 D C 0.416 176.674 176.300 -0.071 0.000 1.214 396 D CA -0.196 53.753 54.000 -0.085 0.000 1.067 396 D CB 0.501 41.262 40.800 -0.064 0.000 1.117 396 D HN 0.567 nan 8.370 nan 0.000 0.578 397 D N -1.358 119.008 120.400 -0.056 0.000 2.182 397 D HA -0.117 4.523 4.640 0.001 0.000 0.201 397 D C 1.347 177.627 176.300 -0.032 0.000 0.986 397 D CA 1.181 55.153 54.000 -0.046 0.000 0.847 397 D CB 0.007 40.783 40.800 -0.040 0.000 0.942 397 D HN 0.222 nan 8.370 nan 0.000 0.467 398 K N -1.166 119.219 120.400 -0.025 0.000 2.374 398 K HA 0.339 4.660 4.320 0.001 0.000 0.196 398 K C 1.396 178.002 176.600 0.009 0.000 1.023 398 K CA 0.494 56.777 56.287 -0.007 0.000 1.103 398 K CB 0.566 33.064 32.500 -0.004 0.000 0.848 398 K HN 0.366 nan 8.250 nan 0.000 0.528 399 G N 1.333 110.129 108.800 -0.006 0.000 2.157 399 G HA2 -0.264 3.697 3.960 0.001 0.000 0.239 399 G HA3 -0.264 3.697 3.960 0.001 0.000 0.239 399 G C -0.250 174.660 174.900 0.016 0.000 0.982 399 G CA 0.003 45.116 45.100 0.022 0.000 0.650 399 G HN 0.557 nan 8.290 nan 0.000 0.527 400 N N -0.158 118.532 118.700 -0.017 0.000 2.530 400 N HA 0.439 5.179 4.740 0.001 0.000 0.273 400 N C 0.505 175.962 175.510 -0.087 0.000 1.173 400 N CA -0.502 52.542 53.050 -0.011 0.000 0.967 400 N CB 1.700 40.184 38.487 -0.005 0.000 1.109 400 N HN 0.072 nan 8.380 nan 0.000 0.453 401 V N 3.079 122.958 119.914 -0.058 0.000 2.599 401 V HA -0.014 4.106 4.120 0.001 0.000 0.300 401 V C 0.573 176.631 176.094 -0.060 0.000 1.034 401 V CA 0.246 62.494 62.300 -0.087 0.000 1.115 401 V CB -0.090 31.740 31.823 0.011 0.000 0.934 401 V HN 0.478 nan 8.190 nan 0.000 0.485 402 L N 7.314 128.491 121.223 -0.077 0.000 2.387 402 L HA 0.526 4.867 4.340 0.001 0.000 0.266 402 L C -1.829 175.012 176.870 -0.047 0.000 1.059 402 L CA -1.714 53.091 54.840 -0.059 0.000 0.801 402 L CB 1.579 43.596 42.059 -0.071 0.000 1.223 402 L HN 0.488 nan 8.230 nan 0.000 0.456 403 P HA 0.262 nan 4.420 nan 0.000 0.276 403 P C -2.682 174.587 177.300 -0.052 0.000 1.252 403 P CA -1.621 61.456 63.100 -0.038 0.000 0.802 403 P CB -0.286 31.396 31.700 -0.030 0.000 1.035 404 P HA -0.022 nan 4.420 nan 0.000 0.268 404 P C 0.802 178.071 177.300 -0.052 0.000 1.208 404 P CA 0.875 63.934 63.100 -0.067 0.000 0.777 404 P CB -0.065 31.599 31.700 -0.060 0.000 0.875 405 G N 0.695 109.465 108.800 -0.050 0.000 2.162 405 G HA2 -0.187 3.774 3.960 0.001 0.000 0.260 405 G HA3 -0.187 3.774 3.960 0.001 0.000 0.260 405 G C 0.053 174.928 174.900 -0.042 0.000 0.976 405 G CA 0.372 45.451 45.100 -0.035 0.000 0.655 405 G HN 0.735 nan 8.290 nan 0.000 0.533 406 T N 0.457 114.980 114.554 -0.052 0.000 2.779 406 T HA 0.506 4.857 4.350 0.001 0.000 0.280 406 T C -0.060 174.601 174.700 -0.065 0.000 0.987 406 T CA -0.342 61.725 62.100 -0.055 0.000 0.966 406 T CB 2.174 71.010 68.868 -0.053 0.000 0.933 406 T HN 0.415 nan 8.240 nan 0.000 0.442 407 E N 2.020 122.178 120.200 -0.071 0.000 2.344 407 E HA 0.489 4.839 4.350 0.001 0.000 0.270 407 E C 0.328 176.875 176.600 -0.087 0.000 1.021 407 E CA -0.201 56.147 56.400 -0.087 0.000 0.887 407 E CB 0.289 29.930 29.700 -0.099 0.000 0.997 407 E HN 0.849 nan 8.360 nan 0.000 0.429 408 G N 3.341 112.086 108.800 -0.093 0.000 2.650 408 G HA2 0.148 4.109 3.960 0.001 0.000 0.310 408 G HA3 0.148 4.109 3.960 0.001 0.000 0.310 408 G C -1.391 173.448 174.900 -0.102 0.000 1.270 408 G CA -0.714 44.329 45.100 -0.096 0.000 0.810 408 G HN 0.544 nan 8.290 nan 0.000 0.493 409 D N 0.627 120.965 120.400 -0.103 0.000 2.210 409 D HA 0.379 5.020 4.640 0.001 0.000 0.249 409 D C 0.243 176.497 176.300 -0.077 0.000 1.078 409 D CA 0.084 54.024 54.000 -0.099 0.000 0.875 409 D CB 2.105 42.841 40.800 -0.107 0.000 1.175 409 D HN 0.222 nan 8.370 nan 0.000 0.440 410 I N 1.386 121.932 120.570 -0.040 0.000 2.441 410 I HA 0.346 4.516 4.170 0.001 0.000 0.287 410 I C 1.082 177.208 176.117 0.014 0.000 1.049 410 I CA -0.002 61.303 61.300 0.008 0.000 1.381 410 I CB 1.098 39.114 38.000 0.026 0.000 1.409 410 I HN 0.243 nan 8.210 nan 0.000 0.523 411 G N 6.556 115.373 108.800 0.028 0.000 2.612 411 G HA2 0.748 4.708 3.960 0.001 0.000 0.298 411 G HA3 0.748 4.708 3.960 0.001 0.000 0.298 411 G C -1.170 173.914 174.900 0.305 0.000 1.336 411 G CA -0.541 44.643 45.100 0.140 0.000 0.953 411 G HN 0.463 nan 8.290 nan 0.000 0.482 412 I N 0.933 121.726 120.570 0.372 0.000 2.389 412 I HA 0.376 4.546 4.170 0.001 0.000 0.288 412 I C 0.636 176.828 176.117 0.125 0.000 0.999 412 I CA -0.795 60.614 61.300 0.182 0.000 1.129 412 I CB 1.984 39.876 38.000 -0.180 0.000 1.288 412 I HN 0.367 nan 8.210 nan 0.000 0.444 413 R N 4.719 125.167 120.500 -0.086 0.000 2.480 413 R HA 0.073 4.414 4.340 0.001 0.000 0.303 413 R C 0.695 176.833 176.300 -0.270 0.000 0.985 413 R CA 0.236 55.998 56.100 -0.564 0.000 1.051 413 R CB 0.526 30.561 30.300 -0.442 0.000 0.935 413 R HN 0.686 nan 8.270 nan 0.000 0.410 414 V N 0.347 120.112 119.914 -0.248 0.000 3.432 414 V HA 0.345 4.465 4.120 0.001 0.000 0.298 414 V C -0.077 175.959 176.094 -0.097 0.000 1.464 414 V CA -0.027 62.202 62.300 -0.117 0.000 1.046 414 V CB 0.095 31.900 31.823 -0.030 0.000 0.887 414 V HN 0.524 nan 8.190 nan 0.000 0.441 415 K N 1.667 121.979 120.400 -0.146 0.000 2.371 415 K HA 0.551 4.872 4.320 0.001 0.000 0.251 415 K C -2.230 174.313 176.600 -0.096 0.000 0.934 415 K CA -1.470 54.764 56.287 -0.087 0.000 0.798 415 K CB 2.988 35.448 32.500 -0.066 0.000 1.204 415 K HN -0.109 nan 8.250 nan 0.000 0.427 416 P HA 0.033 nan 4.420 nan 0.000 0.226 416 P C 0.043 177.377 177.300 0.058 0.000 1.161 416 P CA 0.667 63.766 63.100 -0.001 0.000 0.804 416 P CB 0.508 32.204 31.700 -0.007 0.000 0.829 417 I N 1.177 121.784 120.570 0.062 0.000 2.325 417 I HA 0.247 4.418 4.170 0.001 0.000 0.291 417 I C 0.954 177.066 176.117 -0.008 0.000 1.019 417 I CA -0.941 60.408 61.300 0.081 0.000 1.302 417 I CB 0.943 38.997 38.000 0.089 0.000 1.401 417 I HN -0.219 nan 8.210 nan 0.000 0.485 418 R N 8.963 129.441 120.500 -0.035 0.000 2.296 418 R HA 0.276 4.617 4.340 0.001 0.000 0.323 418 R C -2.331 173.940 176.300 -0.049 0.000 1.067 418 R CA -1.240 54.823 56.100 -0.061 0.000 0.946 418 R CB 0.605 30.857 30.300 -0.080 0.000 0.991 418 R HN 0.306 nan 8.270 nan 0.000 0.448 419 P HA 0.038 nan 4.420 nan 0.000 0.274 419 P C -0.263 177.083 177.300 0.076 0.000 1.231 419 P CA -0.177 62.961 63.100 0.063 0.000 0.790 419 P CB 0.765 32.581 31.700 0.194 0.000 0.951 420 I N 1.217 121.815 120.570 0.046 0.000 2.741 420 I HA 0.124 4.295 4.170 0.001 0.000 0.288 420 I C 1.721 177.883 176.117 0.075 0.000 1.192 420 I CA 1.705 63.013 61.300 0.014 0.000 1.426 420 I CB -0.648 37.323 38.000 -0.048 0.000 1.367 420 I HN 0.797 nan 8.210 nan 0.000 0.563 421 G N 5.773 114.624 108.800 0.086 0.000 2.253 421 G HA2 -0.165 3.795 3.960 0.001 0.000 0.209 421 G HA3 -0.165 3.795 3.960 0.001 0.000 0.209 421 G C 0.188 175.223 174.900 0.225 0.000 0.997 421 G CA -0.720 44.464 45.100 0.140 0.000 0.640 421 G HN 0.388 nan 8.290 nan 0.000 0.496 422 I N 3.070 123.720 120.570 0.133 0.000 2.474 422 I HA 0.402 4.573 4.170 0.001 0.000 0.287 422 I C 1.512 177.609 176.117 -0.033 0.000 1.048 422 I CA -1.247 60.039 61.300 -0.025 0.000 1.383 422 I CB -0.130 37.759 38.000 -0.184 0.000 1.412 422 I HN 0.324 nan 8.210 nan 0.000 0.531 423 F N 3.977 123.610 119.950 -0.528 0.000 2.527 423 F HA 0.134 4.662 4.527 0.001 0.000 0.316 423 F C 1.149 176.632 175.800 -0.529 0.000 1.258 423 F CA -0.382 57.149 58.000 -0.781 0.000 1.314 423 F CB 0.229 38.542 39.000 -1.143 0.000 1.200 423 F HN 0.415 nan 8.300 nan 0.000 0.577 424 S N 0.097 115.296 115.700 -0.834 0.000 2.524 424 S HA 0.456 4.926 4.470 0.001 0.000 0.216 424 S C 0.476 174.463 174.600 -1.021 0.000 0.987 424 S CA 0.315 58.078 58.200 -0.728 0.000 0.909 424 S CB -0.074 62.879 63.200 -0.412 0.000 0.781 424 S HN 1.270 nan 8.310 nan 0.000 0.521 425 G N 0.433 108.095 108.800 -1.898 0.000 2.353 425 G HA2 0.104 4.064 3.960 0.001 0.000 0.424 425 G HA3 0.104 4.064 3.960 0.001 0.000 0.424 425 G C -1.764 172.659 174.900 -0.795 0.000 1.320 425 G CA -1.204 42.987 45.100 -1.515 0.000 0.995 425 G HN 0.079 nan 8.290 nan 0.000 0.580 426 Y N 0.253 120.502 120.300 -0.084 0.000 2.436 426 Y HA 0.429 4.979 4.550 0.001 0.000 0.343 426 Y C 1.388 177.265 175.900 -0.039 0.000 1.008 426 Y CA -0.516 57.624 58.100 0.067 0.000 1.241 426 Y CB 1.034 39.589 38.460 0.157 0.000 1.153 426 Y HN 0.403 nan 8.280 nan 0.000 0.521 427 V N 4.945 124.900 119.914 0.068 0.000 2.617 427 V HA -0.114 4.007 4.120 0.001 0.000 0.304 427 V C 0.432 176.541 176.094 0.025 0.000 1.040 427 V CA 0.448 62.744 62.300 -0.006 0.000 1.149 427 V CB 0.167 31.957 31.823 -0.055 0.000 0.914 427 V HN 0.929 nan 8.190 nan 0.000 0.487 428 D N 2.397 122.802 120.400 0.009 0.000 3.046 428 D HA -0.173 4.467 4.640 0.001 0.000 0.210 428 D C 0.378 176.701 176.300 0.039 0.000 1.124 428 D CA 1.412 55.422 54.000 0.017 0.000 0.986 428 D CB -0.965 39.842 40.800 0.011 0.000 1.118 428 D HN 0.722 nan 8.370 nan 0.000 0.416 429 N N -0.425 118.317 118.700 0.069 0.000 2.687 429 N HA 0.137 4.877 4.740 0.001 0.000 0.275 429 N C -1.910 173.676 175.510 0.127 0.000 1.789 429 N CA -1.115 51.992 53.050 0.094 0.000 0.806 429 N CB 1.002 39.551 38.487 0.103 0.000 1.256 429 N HN -0.062 nan 8.380 nan 0.000 0.500 430 P HA -0.046 nan 4.420 nan 0.000 0.220 430 P C 0.498 177.856 177.300 0.097 0.000 1.148 430 P CA 0.939 64.082 63.100 0.072 0.000 0.803 430 P CB 0.705 32.423 31.700 0.029 0.000 0.782 431 D N 0.285 120.734 120.400 0.083 0.000 2.097 431 D HA -0.119 4.521 4.640 0.001 0.000 0.195 431 D C 2.045 178.408 176.300 0.106 0.000 0.989 431 D CA 1.208 55.253 54.000 0.075 0.000 0.827 431 D CB -0.664 40.166 40.800 0.049 0.000 0.966 431 D HN 0.074 nan 8.370 nan 0.000 0.456 432 K N -0.097 120.379 120.400 0.128 0.000 2.147 432 K HA -0.060 4.261 4.320 0.001 0.000 0.205 432 K C 2.406 179.204 176.600 0.331 0.000 1.049 432 K CA 1.155 57.530 56.287 0.147 0.000 0.936 432 K CB -0.994 31.526 32.500 0.034 0.000 0.722 432 K HN 0.353 nan 8.250 nan 0.000 0.446 433 T N 0.632 115.444 114.554 0.430 0.000 2.737 433 T HA -0.081 4.269 4.350 0.001 0.000 0.265 433 T C 2.124 177.021 174.700 0.328 0.000 1.038 433 T CA 1.295 63.684 62.100 0.482 0.000 1.144 433 T CB -0.472 68.551 68.868 0.258 0.000 0.866 433 T HN 0.486 nan 8.240 nan 0.000 0.434 434 A N 1.466 124.401 122.820 0.191 0.000 1.972 434 A HA 0.186 4.507 4.320 0.001 0.000 0.219 434 A C 2.604 180.241 177.584 0.089 0.000 1.169 434 A CA 1.667 53.778 52.037 0.123 0.000 0.635 434 A CB -0.983 18.065 19.000 0.079 0.000 0.810 434 A HN 0.507 nan 8.150 nan 0.000 0.446 435 A N -0.151 122.720 122.820 0.085 0.000 2.019 435 A HA -0.125 4.195 4.320 0.001 0.000 0.219 435 A C 1.607 179.166 177.584 -0.042 0.000 1.164 435 A CA 1.599 53.652 52.037 0.026 0.000 0.644 435 A CB -0.384 18.634 19.000 0.030 0.000 0.805 435 A HN 0.495 nan 8.150 nan 0.000 0.449 436 N N -0.659 117.986 118.700 -0.091 0.000 2.280 436 N HA 0.225 4.965 4.740 0.001 0.000 0.192 436 N C -0.345 174.953 175.510 -0.353 0.000 1.109 436 N CA 0.141 52.959 53.050 -0.386 0.000 0.855 436 N CB 0.184 38.091 38.487 -0.967 0.000 0.974 436 N HN 0.443 nan 8.380 nan 0.000 0.482 437 I N 0.848 121.381 120.570 -0.063 0.000 2.331 437 I HA 0.224 4.394 4.170 0.001 0.000 0.292 437 I C 0.491 176.624 176.117 0.027 0.000 0.998 437 I CA -0.456 60.873 61.300 0.047 0.000 1.267 437 I CB 1.096 39.178 38.000 0.136 0.000 1.386 437 I HN -0.246 nan 8.210 nan 0.000 0.476 438 R N 5.183 125.714 120.500 0.053 0.000 2.409 438 R HA 0.535 4.875 4.340 0.001 0.000 0.313 438 R C 0.503 176.880 176.300 0.129 0.000 0.953 438 R CA 0.230 56.366 56.100 0.060 0.000 0.849 438 R CB 1.309 31.624 30.300 0.025 0.000 1.171 438 R HN 0.872 nan 8.270 nan 0.000 0.458 439 G N 3.817 112.676 108.800 0.098 0.000 2.622 439 G HA2 -0.379 3.582 3.960 0.001 0.000 0.307 439 G HA3 -0.379 3.582 3.960 0.001 0.000 0.307 439 G C 0.198 175.154 174.900 0.094 0.000 1.226 439 G CA 0.599 45.765 45.100 0.110 0.000 0.997 439 G HN 0.704 nan 8.290 nan 0.000 0.551 440 D N 0.731 121.184 120.400 0.089 0.000 2.349 440 D HA 0.282 4.923 4.640 0.001 0.000 0.224 440 D C 0.448 176.586 176.300 -0.270 0.000 1.029 440 D CA 0.556 54.488 54.000 -0.113 0.000 0.879 440 D CB -0.008 40.633 40.800 -0.264 0.000 0.906 440 D HN 0.164 nan 8.370 nan 0.000 0.528 441 F N 0.057 120.038 119.950 0.052 0.000 2.495 441 F HA 0.258 4.786 4.527 0.001 0.000 0.327 441 F C 0.222 176.083 175.800 0.103 0.000 1.103 441 F CA -1.436 56.605 58.000 0.068 0.000 0.949 441 F CB 1.543 40.566 39.000 0.037 0.000 1.142 441 F HN -0.110 nan 8.300 nan 0.000 0.457 442 W N 6.451 127.821 121.300 0.116 0.000 2.311 442 W HA 0.456 5.117 4.660 0.001 0.000 0.310 442 W C -1.633 174.936 176.519 0.084 0.000 1.274 442 W CA -0.739 56.648 57.345 0.070 0.000 1.215 442 W CB 0.719 30.182 29.460 0.004 0.000 1.227 442 W HN 0.384 nan 8.180 nan 0.000 0.523 443 L N 7.530 128.383 121.223 -0.617 0.000 2.265 443 L HA 0.070 4.411 4.340 0.001 0.000 0.288 443 L C 1.202 177.732 176.870 -0.567 0.000 1.058 443 L CA -0.661 53.911 54.840 -0.447 0.000 0.809 443 L CB 1.232 43.069 42.059 -0.369 0.000 1.179 443 L HN 0.468 nan 8.230 nan 0.000 0.429 444 L N 2.979 124.117 121.223 -0.142 0.000 2.291 444 L HA 0.038 4.378 4.340 0.001 0.000 0.214 444 L C 1.702 178.564 176.870 -0.013 0.000 1.120 444 L CA 1.367 56.219 54.840 0.021 0.000 0.799 444 L CB -0.397 41.765 42.059 0.171 0.000 0.925 444 L HN 1.017 nan 8.230 nan 0.000 0.446 445 G N -1.195 107.564 108.800 -0.069 0.000 2.143 445 G HA2 -0.224 3.736 3.960 0.001 0.000 0.249 445 G HA3 -0.224 3.736 3.960 0.001 0.000 0.249 445 G C -0.133 174.763 174.900 -0.005 0.000 0.981 445 G CA 0.146 45.214 45.100 -0.054 0.000 0.665 445 G HN 0.336 nan 8.290 nan 0.000 0.528 446 D N 0.160 120.582 120.400 0.037 0.000 2.248 446 D HA 0.495 5.135 4.640 0.001 0.000 0.246 446 D C 0.601 176.821 176.300 -0.133 0.000 1.027 446 D CA -0.619 53.386 54.000 0.007 0.000 0.853 446 D CB 1.085 42.040 40.800 0.259 0.000 1.243 446 D HN 0.081 nan 8.370 nan 0.000 0.462 447 R N 0.517 120.838 120.500 -0.299 0.000 2.560 447 R HA 0.744 5.084 4.340 0.001 0.000 0.270 447 R C 0.534 176.637 176.300 -0.328 0.000 1.074 447 R CA -0.580 55.349 56.100 -0.285 0.000 1.140 447 R CB 1.005 31.117 30.300 -0.313 0.000 1.073 447 R HN 0.638 nan 8.270 nan 0.000 0.527 448 G N 0.236 108.920 108.800 -0.194 0.000 2.550 448 G HA2 0.551 4.512 3.960 0.001 0.000 0.293 448 G HA3 0.551 4.512 3.960 0.001 0.000 0.293 448 G C -1.355 173.503 174.900 -0.070 0.000 1.402 448 G CA -0.685 44.334 45.100 -0.134 0.000 0.784 448 G HN 0.366 nan 8.290 nan 0.000 0.482 449 I N 0.100 120.642 120.570 -0.045 0.000 2.647 449 I HA 0.465 4.636 4.170 0.001 0.000 0.295 449 I C -0.542 175.529 176.117 -0.077 0.000 1.078 449 I CA -0.855 60.411 61.300 -0.057 0.000 1.048 449 I CB 2.703 40.666 38.000 -0.062 0.000 1.239 449 I HN 0.406 nan 8.210 nan 0.000 0.421 450 K N 4.219 124.516 120.400 -0.173 0.000 2.244 450 K HA 0.313 4.634 4.320 0.001 0.000 0.260 450 K C -0.900 175.608 176.600 -0.154 0.000 0.951 450 K CA -0.608 55.456 56.287 -0.371 0.000 0.826 450 K CB 1.471 33.615 32.500 -0.593 0.000 1.108 450 K HN 0.635 nan 8.250 nan 0.000 0.433 451 D N 2.129 122.488 120.400 -0.067 0.000 2.511 451 D HA -0.056 4.585 4.640 0.001 0.000 0.276 451 D C 0.834 177.091 176.300 -0.072 0.000 1.220 451 D CA -0.140 53.836 54.000 -0.040 0.000 1.077 451 D CB 0.465 41.221 40.800 -0.073 0.000 1.126 451 D HN 0.699 nan 8.370 nan 0.000 0.583 452 E N -0.988 119.169 120.200 -0.071 0.000 2.268 452 E HA -0.163 4.188 4.350 0.001 0.000 0.195 452 E C 0.144 176.727 176.600 -0.029 0.000 0.995 452 E CA 0.854 57.222 56.400 -0.053 0.000 0.836 452 E CB -0.229 29.438 29.700 -0.056 0.000 0.763 452 E HN 0.338 nan 8.360 nan 0.000 0.491 453 D N 0.062 120.456 120.400 -0.011 0.000 2.363 453 D HA 0.111 4.752 4.640 0.001 0.000 0.214 453 D C 0.935 177.323 176.300 0.145 0.000 1.093 453 D CA 0.700 54.746 54.000 0.076 0.000 0.837 453 D CB 1.012 41.864 40.800 0.087 0.000 0.948 453 D HN 0.415 nan 8.370 nan 0.000 0.507 454 G N 0.827 109.656 108.800 0.048 0.000 2.141 454 G HA2 -0.297 3.664 3.960 0.001 0.000 0.242 454 G HA3 -0.297 3.664 3.960 0.001 0.000 0.242 454 G C 0.044 174.918 174.900 -0.043 0.000 0.982 454 G CA -0.329 44.744 45.100 -0.045 0.000 0.662 454 G HN 0.364 nan 8.290 nan 0.000 0.527 455 Y N -0.597 119.634 120.300 -0.115 0.000 2.346 455 Y HA 0.544 5.094 4.550 0.001 0.000 0.330 455 Y C 0.844 176.790 175.900 0.076 0.000 1.178 455 Y CA -0.500 57.626 58.100 0.042 0.000 1.331 455 Y CB 0.500 38.925 38.460 -0.058 0.000 1.253 455 Y HN 0.088 nan 8.280 nan 0.000 0.529 456 F N 1.897 122.018 119.950 0.286 0.000 2.422 456 F HA 0.310 4.837 4.527 0.001 0.000 0.333 456 F C 0.037 175.918 175.800 0.135 0.000 1.095 456 F CA -0.675 57.424 58.000 0.165 0.000 1.038 456 F CB 1.441 40.442 39.000 0.002 0.000 1.156 456 F HN 0.346 nan 8.300 nan 0.000 0.483 457 Q N 4.150 124.007 119.800 0.095 0.000 2.333 457 Q HA 0.304 4.645 4.340 0.001 0.000 0.265 457 Q C -1.275 174.677 176.000 -0.079 0.000 0.989 457 Q CA -0.851 54.827 55.803 -0.208 0.000 0.842 457 Q CB 1.244 29.647 28.738 -0.559 0.000 1.262 457 Q HN 0.658 nan 8.270 nan 0.000 0.451 458 F N 4.775 124.596 119.950 -0.216 0.000 2.484 458 F HA 0.136 4.663 4.527 0.001 0.000 0.360 458 F C 0.230 175.932 175.800 -0.163 0.000 1.101 458 F CA 0.323 58.198 58.000 -0.209 0.000 1.251 458 F CB 0.685 39.560 39.000 -0.208 0.000 1.132 458 F HN 0.636 nan 8.300 nan 0.000 0.570 459 M N 5.406 124.506 119.600 -0.834 0.000 2.416 459 M HA 0.325 4.806 4.480 0.001 0.000 0.337 459 M C 0.159 176.022 176.300 -0.728 0.000 1.074 459 M CA 0.338 55.286 55.300 -0.586 0.000 0.968 459 M CB -0.224 32.162 32.600 -0.357 0.000 1.472 459 M HN 0.801 nan 8.290 nan 0.000 0.539 460 G N 1.280 109.241 108.800 -1.398 0.000 2.465 460 G HA2 -0.049 3.911 3.960 0.001 0.000 0.681 460 G HA3 -0.049 3.911 3.960 0.001 0.000 0.681 460 G C -0.922 173.623 174.900 -0.593 0.000 1.340 460 G CA -1.135 43.501 45.100 -0.773 0.000 0.884 460 G HN 0.131 nan 8.290 nan 0.000 0.650 461 R N 0.242 120.668 120.500 -0.124 0.000 2.570 461 R HA 0.478 4.819 4.340 0.001 0.000 0.277 461 R C 1.417 177.643 176.300 -0.124 0.000 1.039 461 R CA 0.360 56.442 56.100 -0.030 0.000 1.065 461 R CB 0.788 31.112 30.300 0.041 0.000 0.964 461 R HN 1.308 nan 8.270 nan 0.000 0.428 462 A N 2.381 125.139 122.820 -0.103 0.000 2.307 462 A HA 0.048 4.369 4.320 0.001 0.000 0.218 462 A C 0.076 177.608 177.584 -0.087 0.000 1.228 462 A CA 0.461 52.429 52.037 -0.116 0.000 0.857 462 A CB -0.193 18.739 19.000 -0.115 0.000 0.897 462 A HN 0.758 nan 8.150 nan 0.000 0.495 463 D N -2.485 117.878 120.400 -0.063 0.000 2.989 463 D HA 0.209 4.850 4.640 0.001 0.000 0.284 463 D C -0.525 175.757 176.300 -0.031 0.000 1.212 463 D CA -0.364 53.608 54.000 -0.047 0.000 1.055 463 D CB -0.244 40.532 40.800 -0.040 0.000 1.351 463 D HN -0.182 nan 8.370 nan 0.000 0.611 464 D N -0.616 119.775 120.400 -0.016 0.000 2.339 464 D HA 0.227 4.868 4.640 0.001 0.000 0.217 464 D C 0.406 176.716 176.300 0.017 0.000 1.050 464 D CA -0.100 53.901 54.000 0.002 0.000 0.856 464 D CB 0.139 40.941 40.800 0.004 0.000 0.922 464 D HN 0.336 nan 8.370 nan 0.000 0.518 465 I N 1.398 121.977 120.570 0.016 0.000 2.752 465 I HA -0.053 4.117 4.170 0.001 0.000 0.287 465 I C 0.627 176.772 176.117 0.047 0.000 1.188 465 I CA 0.290 61.608 61.300 0.030 0.000 1.427 465 I CB 0.666 38.685 38.000 0.031 0.000 1.365 465 I HN -0.275 nan 8.210 nan 0.000 0.585 466 I N 5.913 126.516 120.570 0.054 0.000 2.377 466 I HA 0.225 4.395 4.170 0.001 0.000 0.293 466 I C -0.033 176.124 176.117 0.067 0.000 0.987 466 I CA -0.520 60.823 61.300 0.072 0.000 1.185 466 I CB 1.416 39.456 38.000 0.066 0.000 1.341 466 I HN 0.508 nan 8.210 nan 0.000 0.455 467 N N 4.418 123.161 118.700 0.073 0.000 2.511 467 N HA 0.255 4.996 4.740 0.001 0.000 0.249 467 N C -1.407 174.130 175.510 0.044 0.000 0.971 467 N CA -0.081 52.991 53.050 0.037 0.000 0.938 467 N CB 1.547 40.034 38.487 0.001 0.000 1.131 467 N HN 0.538 nan 8.380 nan 0.000 0.505 468 S N 2.296 118.031 115.700 0.057 0.000 2.707 468 S HA 0.388 4.858 4.470 0.001 0.000 0.312 468 S C -0.309 174.323 174.600 0.054 0.000 1.116 468 S CA -0.315 57.923 58.200 0.063 0.000 1.078 468 S CB -0.173 63.076 63.200 0.082 0.000 0.997 468 S HN 0.537 nan 8.310 nan 0.000 0.477 469 S N 3.186 118.860 115.700 -0.043 0.000 3.641 469 S HA -0.170 4.301 4.470 0.001 0.000 0.346 469 S C 1.149 175.540 174.600 -0.348 0.000 1.074 469 S CA 1.128 59.240 58.200 -0.146 0.000 1.026 469 S CB -1.908 61.246 63.200 -0.077 0.000 0.908 469 S HN 2.245 nan 8.310 nan 0.000 0.479 470 G N -1.457 107.164 108.800 -0.297 0.000 2.159 470 G HA2 -0.343 3.618 3.960 0.001 0.000 0.256 470 G HA3 -0.343 3.618 3.960 0.001 0.000 0.256 470 G C -0.156 174.403 174.900 -0.569 0.000 0.977 470 G CA 0.461 45.314 45.100 -0.413 0.000 0.652 470 G HN 0.697 nan 8.290 nan 0.000 0.531 471 Y N -0.206 119.919 120.300 -0.292 0.000 2.335 471 Y HA 0.651 5.202 4.550 0.001 0.000 0.323 471 Y C 1.007 176.773 175.900 -0.224 0.000 1.224 471 Y CA -0.997 56.874 58.100 -0.382 0.000 1.241 471 Y CB 0.962 39.263 38.460 -0.265 0.000 1.235 471 Y HN 0.140 nan 8.280 nan 0.000 0.492 472 R N 3.410 123.881 120.500 -0.048 0.000 2.239 472 R HA 0.552 4.892 4.340 0.001 0.000 0.332 472 R C -1.717 174.629 176.300 0.076 0.000 0.988 472 R CA -0.252 55.844 56.100 -0.006 0.000 0.859 472 R CB -0.053 30.214 30.300 -0.055 0.000 1.148 472 R HN 0.739 nan 8.270 nan 0.000 0.482 473 I N 3.362 123.983 120.570 0.085 0.000 2.362 473 I HA 0.301 4.471 4.170 0.001 0.000 0.289 473 I C 0.633 176.776 176.117 0.042 0.000 0.994 473 I CA -0.652 60.697 61.300 0.082 0.000 1.158 473 I CB 2.141 40.184 38.000 0.071 0.000 1.315 473 I HN 0.678 nan 8.210 nan 0.000 0.451 474 G N 7.366 116.183 108.800 0.028 0.000 2.349 474 G HA2 0.260 4.220 3.960 0.001 0.000 0.281 474 G HA3 0.260 4.220 3.960 0.001 0.000 0.281 474 G C -1.512 173.385 174.900 -0.005 0.000 1.182 474 G CA -0.990 44.116 45.100 0.011 0.000 0.899 474 G HN 0.421 nan 8.290 nan 0.000 0.455 475 P HA -0.140 nan 4.420 nan 0.000 0.217 475 P C 1.819 179.116 177.300 -0.006 0.000 1.148 475 P CA 1.112 64.214 63.100 0.004 0.000 0.828 475 P CB 0.298 32.009 31.700 0.018 0.000 0.783 476 S N 0.167 115.861 115.700 -0.010 0.000 2.419 476 S HA -0.140 4.331 4.470 0.001 0.000 0.233 476 S C 1.834 176.413 174.600 -0.035 0.000 1.016 476 S CA 1.196 59.386 58.200 -0.016 0.000 0.974 476 S CB -0.657 62.534 63.200 -0.016 0.000 0.786 476 S HN 0.385 nan 8.310 nan 0.000 0.492 477 E N 0.774 120.942 120.200 -0.054 0.000 2.047 477 E HA -0.088 4.263 4.350 0.001 0.000 0.191 477 E C 2.071 178.627 176.600 -0.073 0.000 0.987 477 E CA 1.263 57.612 56.400 -0.086 0.000 0.799 477 E CB -0.205 29.431 29.700 -0.108 0.000 0.752 477 E HN 0.303 nan 8.360 nan 0.000 0.449 478 V N 1.344 121.222 119.914 -0.060 0.000 2.453 478 V HA -0.202 3.919 4.120 0.001 0.000 0.247 478 V C 1.959 178.044 176.094 -0.015 0.000 1.048 478 V CA 1.674 63.946 62.300 -0.048 0.000 1.049 478 V CB -0.505 31.288 31.823 -0.050 0.000 0.672 478 V HN 0.189 nan 8.190 nan 0.000 0.457 479 E N 0.713 120.909 120.200 -0.006 0.000 2.051 479 E HA -0.215 4.136 4.350 0.001 0.000 0.192 479 E C 2.169 178.780 176.600 0.018 0.000 0.991 479 E CA 1.522 57.929 56.400 0.012 0.000 0.799 479 E CB -0.236 29.473 29.700 0.015 0.000 0.748 479 E HN 0.565 nan 8.360 nan 0.000 0.449 480 N N 0.790 119.493 118.700 0.005 0.000 2.104 480 N HA -0.184 4.557 4.740 0.001 0.000 0.190 480 N C 1.650 177.183 175.510 0.038 0.000 1.024 480 N CA 1.415 54.472 53.050 0.013 0.000 0.853 480 N CB -0.539 37.943 38.487 -0.009 0.000 1.008 480 N HN 0.170 nan 8.380 nan 0.000 0.424 481 A N 1.142 123.977 122.820 0.025 0.000 1.865 481 A HA -0.089 4.232 4.320 0.001 0.000 0.217 481 A C 2.378 180.072 177.584 0.183 0.000 1.191 481 A CA 1.140 53.209 52.037 0.053 0.000 0.623 481 A CB -0.900 18.083 19.000 -0.028 0.000 0.826 481 A HN 0.241 nan 8.150 nan 0.000 0.444 482 L N -1.098 120.196 121.223 0.119 0.000 2.083 482 L HA -0.187 4.153 4.340 0.001 0.000 0.209 482 L C 2.677 179.594 176.870 0.079 0.000 1.083 482 L CA 0.991 55.900 54.840 0.115 0.000 0.752 482 L CB -0.423 41.665 42.059 0.048 0.000 0.899 482 L HN 0.338 nan 8.230 nan 0.000 0.433 483 M N -0.631 119.008 119.600 0.064 0.000 2.374 483 M HA -0.161 4.319 4.480 0.001 0.000 0.264 483 M C 1.938 178.259 176.300 0.035 0.000 1.067 483 M CA 1.385 56.708 55.300 0.039 0.000 1.103 483 M CB -0.824 31.795 32.600 0.032 0.000 1.402 483 M HN 0.293 nan 8.290 nan 0.000 0.444 484 E N -0.992 119.251 120.200 0.073 0.000 2.268 484 E HA -0.126 4.225 4.350 0.001 0.000 0.195 484 E C 0.847 177.397 176.600 -0.085 0.000 0.995 484 E CA 0.304 56.734 56.400 0.051 0.000 0.836 484 E CB -0.039 29.773 29.700 0.188 0.000 0.763 484 E HN 0.397 nan 8.360 nan 0.000 0.491 485 H N 0.580 119.478 119.070 -0.287 0.000 2.646 485 H HA 0.038 4.595 4.556 0.001 0.000 0.325 485 H C -1.802 173.357 175.328 -0.283 0.000 1.075 485 H CA -2.022 53.772 56.048 -0.424 0.000 1.421 485 H CB 1.408 30.840 29.762 -0.551 0.000 1.461 485 H HN -0.135 nan 8.280 nan 0.000 0.525 486 P HA -0.097 nan 4.420 nan 0.000 0.219 486 P C 1.020 178.206 177.300 -0.190 0.000 1.146 486 P CA 1.506 64.513 63.100 -0.154 0.000 0.808 486 P CB 0.052 31.718 31.700 -0.055 0.000 0.779 487 A N -0.832 121.740 122.820 -0.415 0.000 2.121 487 A HA 0.004 4.324 4.320 0.001 0.000 0.218 487 A C 1.089 178.466 177.584 -0.345 0.000 1.154 487 A CA 0.801 52.241 52.037 -0.996 0.000 0.679 487 A CB -0.736 17.414 19.000 -1.416 0.000 0.795 487 A HN 0.095 nan 8.150 nan 0.000 0.458 488 V N 0.999 120.822 119.914 -0.152 0.000 2.350 488 V HA 0.223 4.343 4.120 0.001 0.000 0.276 488 V C 1.337 177.420 176.094 -0.018 0.000 1.028 488 V CA 0.218 62.479 62.300 -0.065 0.000 0.860 488 V CB 1.333 33.133 31.823 -0.039 0.000 0.990 488 V HN 0.372 nan 8.190 nan 0.000 0.453 489 V N 1.958 121.876 119.914 0.007 0.000 2.825 489 V HA 0.391 4.512 4.120 0.001 0.000 0.246 489 V C 0.547 176.657 176.094 0.027 0.000 1.068 489 V CA 0.866 63.179 62.300 0.021 0.000 1.088 489 V CB 0.256 32.098 31.823 0.032 0.000 0.733 489 V HN 0.811 nan 8.190 nan 0.000 0.468 490 E N -0.831 119.391 120.200 0.037 0.000 2.366 490 E HA 0.561 4.912 4.350 0.001 0.000 0.278 490 E C -1.400 175.234 176.600 0.057 0.000 0.923 490 E CA -0.312 56.112 56.400 0.040 0.000 0.761 490 E CB 2.470 32.193 29.700 0.038 0.000 1.231 490 E HN 0.305 nan 8.360 nan 0.000 0.443 491 T N 1.055 115.642 114.554 0.055 0.000 2.923 491 T HA 0.743 5.093 4.350 0.001 0.000 0.311 491 T C -1.922 172.826 174.700 0.079 0.000 1.183 491 T CA -0.195 61.952 62.100 0.078 0.000 1.020 491 T CB 1.389 70.293 68.868 0.061 0.000 1.165 491 T HN 0.516 nan 8.240 nan 0.000 0.482 492 A N 3.098 125.995 122.820 0.129 0.000 2.343 492 A HA 0.790 5.111 4.320 0.001 0.000 0.316 492 A C -0.980 176.716 177.584 0.187 0.000 1.104 492 A CA -0.551 51.561 52.037 0.124 0.000 0.768 492 A CB 1.499 20.548 19.000 0.081 0.000 1.213 492 A HN 0.744 nan 8.150 nan 0.000 0.456 493 V N 4.044 124.027 119.914 0.115 0.000 2.417 493 V HA 0.620 4.740 4.120 0.001 0.000 0.291 493 V C -0.029 176.128 176.094 0.105 0.000 1.024 493 V CA -0.135 62.221 62.300 0.093 0.000 0.861 493 V CB 0.823 32.663 31.823 0.028 0.000 0.985 493 V HN 0.874 nan 8.190 nan 0.000 0.436 494 I N 1.801 122.450 120.570 0.131 0.000 3.264 494 I HA 0.839 5.009 4.170 0.001 0.000 0.315 494 I C 0.047 176.246 176.117 0.135 0.000 1.154 494 I CA -0.808 60.585 61.300 0.155 0.000 0.962 494 I CB 2.435 40.581 38.000 0.243 0.000 1.265 494 I HN 0.540 nan 8.210 nan 0.000 0.463 495 S N 1.315 117.140 115.700 0.209 0.000 2.586 495 S HA 0.628 5.098 4.470 0.001 0.000 0.274 495 S C -0.230 174.529 174.600 0.265 0.000 1.281 495 S CA -0.445 57.903 58.200 0.247 0.000 1.035 495 S CB 1.343 64.756 63.200 0.355 0.000 0.962 495 S HN 0.789 nan 8.310 nan 0.000 0.512 496 S N 2.612 118.327 115.700 0.025 0.000 2.538 496 S HA 0.614 5.085 4.470 0.001 0.000 0.288 496 S C -2.950 171.330 174.600 -0.533 0.000 1.108 496 S CA -1.788 56.228 58.200 -0.305 0.000 0.971 496 S CB 1.319 64.363 63.200 -0.259 0.000 1.041 496 S HN 0.714 nan 8.310 nan 0.000 0.483 497 P HA 0.202 nan 4.420 nan 0.000 0.266 497 P C -1.141 175.896 177.300 -0.439 0.000 1.195 497 P CA 0.192 62.694 63.100 -0.997 0.000 0.768 497 P CB 0.411 31.392 31.700 -1.197 0.000 0.838 498 D N 3.179 123.435 120.400 -0.241 0.000 2.964 498 D HA 0.260 4.901 4.640 0.001 0.000 0.234 498 D C -1.479 174.769 176.300 -0.086 0.000 1.223 498 D CA -2.149 51.762 54.000 -0.149 0.000 0.889 498 D CB 1.533 42.265 40.800 -0.114 0.000 1.609 498 D HN 0.040 nan 8.370 nan 0.000 0.523 499 P HA -0.208 nan 4.420 nan 0.000 0.215 499 P C 1.225 178.510 177.300 -0.024 0.000 1.163 499 P CA 1.108 64.186 63.100 -0.037 0.000 0.894 499 P CB 0.223 31.904 31.700 -0.032 0.000 0.791 500 V N 0.168 120.064 119.914 -0.029 0.000 2.379 500 V HA -0.024 4.096 4.120 0.001 0.000 0.243 500 V C 2.432 178.510 176.094 -0.027 0.000 1.035 500 V CA 1.592 63.879 62.300 -0.021 0.000 1.035 500 V CB -1.084 30.727 31.823 -0.020 0.000 0.673 500 V HN 0.039 nan 8.190 nan 0.000 0.457 501 R N 0.123 120.603 120.500 -0.034 0.000 2.334 501 R HA 0.373 4.713 4.340 0.001 0.000 0.216 501 R C 1.788 178.072 176.300 -0.026 0.000 0.905 501 R CA 0.704 56.782 56.100 -0.037 0.000 1.064 501 R CB 0.422 30.701 30.300 -0.035 0.000 1.046 501 R HN 0.562 nan 8.270 nan 0.000 0.508 502 G N 1.555 110.347 108.800 -0.014 0.000 2.640 502 G HA2 -0.377 3.584 3.960 0.001 0.000 0.226 502 G HA3 -0.377 3.584 3.960 0.001 0.000 0.226 502 G C 0.128 175.058 174.900 0.050 0.000 1.222 502 G CA 0.495 45.611 45.100 0.027 0.000 0.729 502 G HN 0.427 nan 8.290 nan 0.000 0.516 503 E N -0.919 119.299 120.200 0.029 0.000 2.400 503 E HA 0.491 4.841 4.350 0.001 0.000 0.285 503 E C -0.852 175.747 176.600 -0.002 0.000 1.005 503 E CA -0.359 56.072 56.400 0.051 0.000 0.816 503 E CB 2.112 31.936 29.700 0.206 0.000 1.220 503 E HN 1.240 nan 8.360 nan 0.000 0.426 504 V N 0.371 120.255 119.914 -0.049 0.000 2.962 504 V HA 0.653 4.774 4.120 0.001 0.000 0.313 504 V C -0.620 175.422 176.094 -0.087 0.000 1.099 504 V CA -0.861 61.388 62.300 -0.086 0.000 0.971 504 V CB 1.730 33.465 31.823 -0.146 0.000 1.028 504 V HN 0.467 nan 8.190 nan 0.000 0.430 505 V N 3.462 123.305 119.914 -0.119 0.000 2.446 505 V HA 0.277 4.397 4.120 0.001 0.000 0.276 505 V C 0.389 176.378 176.094 -0.174 0.000 1.030 505 V CA 0.237 62.466 62.300 -0.118 0.000 1.033 505 V CB 0.538 32.271 31.823 -0.151 0.000 0.993 505 V HN 1.027 nan 8.190 nan 0.000 0.477 506 K N 4.528 124.841 120.400 -0.144 0.000 2.270 506 K HA 0.781 5.102 4.320 0.001 0.000 0.255 506 K C -0.623 175.840 176.600 -0.227 0.000 0.936 506 K CA -0.610 55.536 56.287 -0.235 0.000 0.809 506 K CB 1.772 34.102 32.500 -0.282 0.000 1.131 506 K HN 0.699 nan 8.250 nan 0.000 0.427 507 A N 4.318 126.959 122.820 -0.299 0.000 2.303 507 A HA 0.578 4.898 4.320 0.001 0.000 0.320 507 A C -1.297 176.061 177.584 -0.377 0.000 1.192 507 A CA -0.686 51.224 52.037 -0.212 0.000 0.821 507 A CB 0.181 19.101 19.000 -0.133 0.000 1.188 507 A HN 0.629 nan 8.150 nan 0.000 0.492 508 F N 1.884 121.789 119.950 -0.075 0.000 2.404 508 F HA 0.514 5.042 4.527 0.001 0.000 0.345 508 F C 0.265 176.049 175.800 -0.027 0.000 1.110 508 F CA -0.204 57.758 58.000 -0.063 0.000 1.130 508 F CB 1.836 40.819 39.000 -0.030 0.000 1.129 508 F HN 0.246 nan 8.300 nan 0.000 0.500 509 V N 4.433 124.442 119.914 0.159 0.000 2.531 509 V HA 0.385 4.506 4.120 0.001 0.000 0.301 509 V C -0.646 175.593 176.094 0.241 0.000 1.034 509 V CA -0.896 61.513 62.300 0.181 0.000 0.865 509 V CB 2.090 34.040 31.823 0.212 0.000 0.995 509 V HN 0.453 nan 8.190 nan 0.000 0.424 510 V N 6.443 126.453 119.914 0.160 0.000 2.407 510 V HA 0.415 4.536 4.120 0.001 0.000 0.278 510 V C 0.057 176.207 176.094 0.093 0.000 1.037 510 V CA -0.377 62.000 62.300 0.129 0.000 0.900 510 V CB 1.459 33.333 31.823 0.084 0.000 0.983 510 V HN 0.608 nan 8.190 nan 0.000 0.459 511 L N 4.095 125.361 121.223 0.071 0.000 2.334 511 L HA 0.606 4.947 4.340 0.001 0.000 0.277 511 L C 0.899 177.795 176.870 0.043 0.000 1.075 511 L CA -0.403 54.440 54.840 0.006 0.000 0.804 511 L CB 1.383 43.388 42.059 -0.091 0.000 1.174 511 L HN 0.777 nan 8.230 nan 0.000 0.438 512 A N 2.538 125.392 122.820 0.057 0.000 2.567 512 A HA 0.050 4.371 4.320 0.001 0.000 0.240 512 A C 1.306 179.007 177.584 0.195 0.000 1.053 512 A CA 0.139 52.263 52.037 0.146 0.000 0.755 512 A CB 0.234 19.377 19.000 0.238 0.000 0.978 512 A HN 0.889 nan 8.150 nan 0.000 0.507 513 S N 1.041 116.817 115.700 0.127 0.000 2.383 513 S HA -0.204 4.266 4.470 0.001 0.000 0.229 513 S C 2.227 176.874 174.600 0.078 0.000 1.030 513 S CA 1.560 59.810 58.200 0.083 0.000 1.002 513 S CB -0.261 62.966 63.200 0.045 0.000 0.829 513 S HN 0.931 nan 8.310 nan 0.000 0.467 514 Q N 0.420 120.272 119.800 0.086 0.000 2.291 514 Q HA -0.076 4.265 4.340 0.001 0.000 0.206 514 Q C 1.179 177.117 176.000 -0.103 0.000 0.976 514 Q CA 1.400 57.171 55.803 -0.053 0.000 0.875 514 Q CB -0.732 27.926 28.738 -0.134 0.000 0.927 514 Q HN 0.587 nan 8.270 nan 0.000 0.450 515 F N 0.770 120.766 119.950 0.078 0.000 2.811 515 F HA 0.180 4.708 4.527 0.001 0.000 0.301 515 F C 1.893 177.739 175.800 0.077 0.000 1.151 515 F CA 0.043 58.191 58.000 0.247 0.000 1.412 515 F CB 0.061 39.155 39.000 0.157 0.000 1.113 515 F HN -0.048 nan 8.300 nan 0.000 0.579 516 L N -0.384 120.896 121.223 0.096 0.000 2.265 516 L HA -0.200 4.140 4.340 0.001 0.000 0.215 516 L C 2.445 179.292 176.870 -0.039 0.000 1.117 516 L CA 1.395 56.234 54.840 -0.001 0.000 0.782 516 L CB -0.599 41.456 42.059 -0.007 0.000 0.914 516 L HN 0.219 nan 8.230 nan 0.000 0.441 517 S N -2.796 112.843 115.700 -0.101 0.000 2.470 517 S HA -0.019 4.452 4.470 0.001 0.000 0.225 517 S C 0.945 175.452 174.600 -0.155 0.000 1.006 517 S CA -0.232 57.879 58.200 -0.148 0.000 0.934 517 S CB -0.386 62.688 63.200 -0.209 0.000 0.778 517 S HN 0.337 nan 8.310 nan 0.000 0.517 518 H N 2.691 121.739 119.070 -0.036 0.000 2.852 518 H HA 0.090 4.646 4.556 0.001 0.000 0.362 518 H C 0.095 175.418 175.328 -0.008 0.000 1.122 518 H CA 0.447 56.489 56.048 -0.010 0.000 1.419 518 H CB 0.169 29.960 29.762 0.048 0.000 1.401 518 H HN 0.380 nan 8.280 nan 0.000 0.609 519 D N 2.710 123.194 120.400 0.140 0.000 2.487 519 D HA -0.041 4.599 4.640 0.001 0.000 0.243 519 D C -1.636 174.731 176.300 0.111 0.000 1.154 519 D CA -1.170 52.889 54.000 0.097 0.000 0.876 519 D CB 1.186 42.036 40.800 0.083 0.000 1.161 519 D HN 0.262 nan 8.370 nan 0.000 0.478 520 P HA -0.127 nan 4.420 nan 0.000 0.215 520 P C 1.179 178.608 177.300 0.214 0.000 1.153 520 P CA 1.957 65.168 63.100 0.186 0.000 0.853 520 P CB 0.083 31.915 31.700 0.221 0.000 0.788 521 E N -0.193 120.088 120.200 0.135 0.000 2.072 521 E HA -0.231 4.120 4.350 0.001 0.000 0.191 521 E C 2.316 178.969 176.600 0.088 0.000 0.985 521 E CA 2.123 58.582 56.400 0.098 0.000 0.801 521 E CB -1.979 27.759 29.700 0.064 0.000 0.750 521 E HN 0.365 nan 8.360 nan 0.000 0.452 522 Q N -0.179 119.671 119.800 0.084 0.000 2.061 522 Q HA 0.054 4.395 4.340 0.001 0.000 0.204 522 Q C 2.507 178.547 176.000 0.066 0.000 0.984 522 Q CA 1.916 57.761 55.803 0.071 0.000 0.846 522 Q CB -0.883 27.903 28.738 0.079 0.000 0.902 522 Q HN 0.642 nan 8.270 nan 0.000 0.421 523 L N 0.469 121.741 121.223 0.082 0.000 2.056 523 L HA -0.067 4.274 4.340 0.001 0.000 0.207 523 L C 2.505 179.428 176.870 0.087 0.000 1.078 523 L CA 2.767 57.631 54.840 0.040 0.000 0.749 523 L CB -0.796 41.263 42.059 -0.001 0.000 0.901 523 L HN 0.460 nan 8.230 nan 0.000 0.433 524 T N -0.241 114.425 114.554 0.187 0.000 2.684 524 T HA -0.229 4.121 4.350 0.001 0.000 0.267 524 T C 1.877 176.607 174.700 0.050 0.000 1.036 524 T CA 1.927 64.100 62.100 0.123 0.000 1.148 524 T CB -0.160 68.749 68.868 0.068 0.000 0.863 524 T HN 0.358 nan 8.240 nan 0.000 0.436 525 K N 0.655 121.084 120.400 0.049 0.000 2.148 525 K HA -0.063 4.257 4.320 0.001 0.000 0.204 525 K C 2.420 179.033 176.600 0.021 0.000 1.050 525 K CA 0.986 57.293 56.287 0.033 0.000 0.942 525 K CB -0.083 32.436 32.500 0.031 0.000 0.724 525 K HN 0.452 nan 8.250 nan 0.000 0.446 526 E N 1.251 121.461 120.200 0.017 0.000 2.077 526 E HA -0.176 4.175 4.350 0.001 0.000 0.193 526 E C 1.957 178.562 176.600 0.008 0.000 0.989 526 E CA 0.833 57.246 56.400 0.021 0.000 0.800 526 E CB 0.072 29.783 29.700 0.018 0.000 0.746 526 E HN 0.222 nan 8.360 nan 0.000 0.452 527 L N 0.382 121.564 121.223 -0.069 0.000 2.027 527 L HA -0.195 4.145 4.340 0.001 0.000 0.206 527 L C 2.776 179.676 176.870 0.050 0.000 1.074 527 L CA 1.277 56.068 54.840 -0.081 0.000 0.745 527 L CB -0.455 41.525 42.059 -0.133 0.000 0.898 527 L HN 0.191 nan 8.230 nan 0.000 0.433 528 Q N -0.487 119.343 119.800 0.051 0.000 2.112 528 Q HA -0.307 4.034 4.340 0.001 0.000 0.206 528 Q C 2.227 178.214 176.000 -0.022 0.000 0.987 528 Q CA 1.882 57.745 55.803 0.100 0.000 0.858 528 Q CB -0.144 28.684 28.738 0.151 0.000 0.905 528 Q HN 0.309 nan 8.270 nan 0.000 0.420 529 Q N -0.064 119.721 119.800 -0.025 0.000 2.119 529 Q HA -0.207 4.133 4.340 0.001 0.000 0.201 529 Q C 1.665 177.655 176.000 -0.015 0.000 0.972 529 Q CA 1.924 57.695 55.803 -0.055 0.000 0.847 529 Q CB -0.271 28.457 28.738 -0.017 0.000 0.903 529 Q HN 0.555 nan 8.270 nan 0.000 0.433 530 H N -1.003 118.058 119.070 -0.016 0.000 2.387 530 H HA -0.029 4.528 4.556 0.001 0.000 0.299 530 H C 1.606 176.930 175.328 -0.008 0.000 1.090 530 H CA 1.876 57.934 56.048 0.017 0.000 1.332 530 H CB -0.042 29.776 29.762 0.094 0.000 1.386 530 H HN 0.127 nan 8.280 nan 0.000 0.516 531 V N 0.873 120.719 119.914 -0.113 0.000 2.358 531 V HA -0.206 3.914 4.120 0.001 0.000 0.246 531 V C 2.254 178.233 176.094 -0.192 0.000 1.047 531 V CA 2.136 64.340 62.300 -0.159 0.000 1.035 531 V CB -0.409 31.413 31.823 -0.002 0.000 0.658 531 V HN 0.407 nan 8.190 nan 0.000 0.452 532 K N 0.938 121.237 120.400 -0.169 0.000 2.152 532 K HA -0.157 4.163 4.320 0.001 0.000 0.206 532 K C 2.326 178.824 176.600 -0.171 0.000 1.048 532 K CA 1.703 57.874 56.287 -0.192 0.000 0.933 532 K CB -0.302 32.035 32.500 -0.272 0.000 0.721 532 K HN 0.644 nan 8.250 nan 0.000 0.447 533 S N 0.247 115.837 115.700 -0.183 0.000 2.436 533 S HA -0.061 4.409 4.470 0.001 0.000 0.228 533 S C 1.934 176.437 174.600 -0.161 0.000 1.014 533 S CA 0.808 58.918 58.200 -0.149 0.000 0.950 533 S CB -0.128 63.003 63.200 -0.115 0.000 0.784 533 S HN 0.177 nan 8.310 nan 0.000 0.504 534 V N -2.538 117.237 119.914 -0.231 0.000 3.661 534 V HA 0.445 4.565 4.120 0.001 0.000 0.271 534 V C 0.563 176.570 176.094 -0.144 0.000 1.315 534 V CA 0.452 62.641 62.300 -0.184 0.000 1.072 534 V CB -0.190 31.491 31.823 -0.237 0.000 0.830 534 V HN 0.458 nan 8.190 nan 0.000 0.443 535 T N 0.240 114.698 114.554 -0.160 0.000 2.868 535 T HA 0.691 5.041 4.350 0.001 0.000 0.306 535 T C -0.358 174.234 174.700 -0.180 0.000 1.224 535 T CA 0.135 62.141 62.100 -0.156 0.000 1.012 535 T CB 1.572 70.336 68.868 -0.173 0.000 1.221 535 T HN 1.006 nan 8.240 nan 0.000 0.499 536 A N 3.907 126.610 122.820 -0.194 0.000 2.573 536 A HA 0.309 4.629 4.320 0.001 0.000 0.250 536 A C -1.524 175.873 177.584 -0.312 0.000 1.049 536 A CA -0.422 51.502 52.037 -0.188 0.000 0.767 536 A CB -0.376 18.559 19.000 -0.109 0.000 0.965 536 A HN 0.690 nan 8.150 nan 0.000 0.514 537 P HA -0.194 nan 4.420 nan 0.000 0.221 537 P C 0.958 178.242 177.300 -0.028 0.000 1.145 537 P CA 1.683 64.721 63.100 -0.103 0.000 0.795 537 P CB -0.203 31.461 31.700 -0.059 0.000 0.775 538 Y N 0.946 121.194 120.300 -0.088 0.000 2.569 538 Y HA -0.083 4.467 4.550 0.001 0.000 0.293 538 Y C 1.444 177.233 175.900 -0.184 0.000 1.144 538 Y CA 0.660 58.626 58.100 -0.224 0.000 1.321 538 Y CB -1.332 36.652 38.460 -0.792 0.000 0.982 538 Y HN 0.037 nan 8.280 nan 0.000 0.558 539 K N 0.446 120.561 120.400 -0.475 0.000 2.372 539 K HA 0.091 4.412 4.320 0.001 0.000 0.200 539 K C -0.206 176.313 176.600 -0.135 0.000 1.022 539 K CA -0.451 55.647 56.287 -0.316 0.000 1.125 539 K CB -0.655 31.561 32.500 -0.474 0.000 0.855 539 K HN 0.472 nan 8.250 nan 0.000 0.524 540 Y N 1.728 121.920 120.300 -0.179 0.000 2.379 540 Y HA 0.290 4.841 4.550 0.001 0.000 0.337 540 Y C -2.417 173.427 175.900 -0.095 0.000 1.238 540 Y CA -2.735 55.288 58.100 -0.128 0.000 1.405 540 Y CB 0.047 38.441 38.460 -0.110 0.000 1.310 540 Y HN -0.094 nan 8.280 nan 0.000 0.569 541 P HA 0.191 nan 4.420 nan 0.000 0.277 541 P C -0.504 176.537 177.300 -0.432 0.000 1.354 541 P CA -0.005 62.919 63.100 -0.294 0.000 0.891 541 P CB 0.958 32.573 31.700 -0.142 0.000 1.058 542 R N 2.053 122.200 120.500 -0.588 0.000 2.153 542 R HA 0.032 4.372 4.340 0.001 0.000 0.218 542 R C 0.622 176.776 176.300 -0.244 0.000 1.072 542 R CA 0.922 56.746 56.100 -0.459 0.000 0.990 542 R CB 0.094 30.146 30.300 -0.414 0.000 0.889 542 R HN 0.472 nan 8.270 nan 0.000 0.452 543 K N 0.647 120.890 120.400 -0.262 0.000 2.207 543 K HA 0.487 4.807 4.320 0.001 0.000 0.255 543 K C -0.769 175.644 176.600 -0.312 0.000 0.941 543 K CA -0.438 55.692 56.287 -0.262 0.000 0.825 543 K CB 2.430 34.763 32.500 -0.278 0.000 1.119 543 K HN -0.106 nan 8.250 nan 0.000 0.430 544 I N 1.561 121.916 120.570 -0.357 0.000 2.569 544 I HA 0.234 4.404 4.170 0.001 0.000 0.290 544 I C -0.892 174.843 176.117 -0.638 0.000 1.088 544 I CA -0.618 60.390 61.300 -0.487 0.000 1.047 544 I CB 2.299 40.014 38.000 -0.474 0.000 1.237 544 I HN 0.636 nan 8.210 nan 0.000 0.421 545 E N 5.655 125.448 120.200 -0.678 0.000 2.210 545 E HA 0.503 4.854 4.350 0.001 0.000 0.266 545 E C -1.603 174.734 176.600 -0.439 0.000 0.883 545 E CA -0.650 55.420 56.400 -0.551 0.000 0.761 545 E CB 1.470 30.927 29.700 -0.405 0.000 1.156 545 E HN 0.272 nan 8.360 nan 0.000 0.412 546 F N 3.510 123.460 119.950 -0.000 0.000 2.396 546 F HA 0.363 4.890 4.527 0.001 0.000 0.343 546 F C 0.424 176.271 175.800 0.079 0.000 1.104 546 F CA -0.539 57.483 58.000 0.038 0.000 1.161 546 F CB 1.191 40.206 39.000 0.024 0.000 1.146 546 F HN 0.225 nan 8.300 nan 0.000 0.522 547 V N 1.165 121.249 119.914 0.283 0.000 3.160 547 V HA 0.503 4.624 4.120 0.001 0.000 0.310 547 V C -0.144 176.034 176.094 0.141 0.000 1.181 547 V CA -0.986 61.429 62.300 0.192 0.000 1.047 547 V CB 2.016 33.950 31.823 0.185 0.000 1.068 547 V HN 0.749 nan 8.190 nan 0.000 0.441 548 L N 1.017 122.296 121.223 0.094 0.000 2.416 548 L HA 0.346 4.686 4.340 0.001 0.000 0.216 548 L C 0.527 177.427 176.870 0.049 0.000 1.098 548 L CA 1.044 55.923 54.840 0.066 0.000 0.840 548 L CB -0.133 41.956 42.059 0.049 0.000 0.981 548 L HN 1.051 nan 8.230 nan 0.000 0.462 549 N N -1.285 117.439 118.700 0.039 0.000 2.598 549 N HA 0.464 5.205 4.740 0.001 0.000 0.263 549 N C -1.387 174.115 175.510 -0.013 0.000 1.254 549 N CA -0.726 52.333 53.050 0.016 0.000 0.863 549 N CB 1.045 39.535 38.487 0.005 0.000 1.586 549 N HN -0.162 nan 8.380 nan 0.000 0.491 550 L N 0.365 121.572 121.223 -0.026 0.000 2.322 550 L HA 0.669 5.010 4.340 0.001 0.000 0.281 550 L C -2.110 174.720 176.870 -0.067 0.000 1.014 550 L CA -1.962 52.836 54.840 -0.071 0.000 0.815 550 L CB 1.712 43.741 42.059 -0.049 0.000 1.247 550 L HN 0.521 nan 8.230 nan 0.000 0.421 551 P HA 0.242 nan 4.420 nan 0.000 0.271 551 P C -1.278 175.988 177.300 -0.055 0.000 1.216 551 P CA -0.249 62.810 63.100 -0.069 0.000 0.776 551 P CB 1.119 32.769 31.700 -0.084 0.000 0.881 552 K N 0.162 120.539 120.400 -0.039 0.000 2.509 552 K HA 0.456 4.776 4.320 0.001 0.000 0.266 552 K C 0.091 176.675 176.600 -0.025 0.000 0.987 552 K CA -0.787 55.482 56.287 -0.030 0.000 0.868 552 K CB 1.638 34.125 32.500 -0.022 0.000 1.421 552 K HN 0.473 nan 8.250 nan 0.000 0.444 553 T N -2.454 112.086 114.554 -0.022 0.000 2.849 553 T HA 0.108 4.459 4.350 0.001 0.000 0.284 553 T C 1.543 176.234 174.700 -0.015 0.000 1.004 553 T CA -0.503 61.586 62.100 -0.019 0.000 1.021 553 T CB 0.749 69.606 68.868 -0.018 0.000 1.013 553 T HN 0.411 nan 8.240 nan 0.000 0.527 554 V N -0.940 118.966 119.914 -0.013 0.000 2.720 554 V HA -0.086 4.035 4.120 0.001 0.000 0.256 554 V C 2.550 178.639 176.094 -0.009 0.000 1.082 554 V CA 1.900 64.194 62.300 -0.011 0.000 1.101 554 V CB -2.218 29.599 31.823 -0.010 0.000 0.693 554 V HN 1.120 nan 8.190 nan 0.000 0.479 555 T N -2.334 112.215 114.554 -0.009 0.000 3.160 555 T HA 0.349 4.700 4.350 0.001 0.000 0.257 555 T C 1.627 176.323 174.700 -0.006 0.000 1.147 555 T CA 1.044 63.140 62.100 -0.007 0.000 1.064 555 T CB -0.114 68.750 68.868 -0.007 0.000 0.949 555 T HN 1.672 nan 8.240 nan 0.000 0.526 556 G N 1.101 109.896 108.800 -0.008 0.000 2.141 556 G HA2 -0.186 3.774 3.960 0.001 0.000 0.242 556 G HA3 -0.186 3.774 3.960 0.001 0.000 0.242 556 G C -0.112 174.783 174.900 -0.008 0.000 0.982 556 G CA -0.160 44.936 45.100 -0.007 0.000 0.662 556 G HN 0.584 nan 8.290 nan 0.000 0.527 557 K N 0.529 120.922 120.400 -0.011 0.000 2.234 557 K HA 0.528 4.848 4.320 0.001 0.000 0.282 557 K C 0.935 177.524 176.600 -0.018 0.000 1.039 557 K CA -0.844 55.435 56.287 -0.012 0.000 0.928 557 K CB 1.226 33.718 32.500 -0.012 0.000 1.039 557 K HN 0.341 nan 8.250 nan 0.000 0.470 558 I N 2.641 123.200 120.570 -0.018 0.000 2.648 558 I HA -0.115 4.055 4.170 0.001 0.000 0.284 558 I C 0.783 176.879 176.117 -0.033 0.000 1.153 558 I CA 0.471 61.754 61.300 -0.028 0.000 1.426 558 I CB 0.311 38.298 38.000 -0.022 0.000 1.381 558 I HN 0.269 nan 8.210 nan 0.000 0.571 559 Q N 6.452 126.223 119.800 -0.048 0.000 2.810 559 Q HA 0.228 4.569 4.340 0.001 0.000 0.236 559 Q C 0.876 176.841 176.000 -0.058 0.000 1.278 559 Q CA -0.256 55.517 55.803 -0.049 0.000 1.065 559 Q CB 0.587 29.294 28.738 -0.051 0.000 1.364 559 Q HN 0.480 nan 8.270 nan 0.000 0.570 560 R N 0.750 121.227 120.500 -0.039 0.000 2.117 560 R HA -0.231 4.110 4.340 0.001 0.000 0.243 560 R C 2.061 178.349 176.300 -0.019 0.000 1.143 560 R CA 1.604 57.690 56.100 -0.024 0.000 0.968 560 R CB -0.252 30.050 30.300 0.004 0.000 0.863 560 R HN 0.529 nan 8.270 nan 0.000 0.444 561 A N 1.490 124.294 122.820 -0.028 0.000 1.908 561 A HA -0.268 4.053 4.320 0.001 0.000 0.218 561 A C 2.448 180.014 177.584 -0.031 0.000 1.181 561 A CA 2.515 54.532 52.037 -0.034 0.000 0.627 561 A CB -0.837 18.136 19.000 -0.046 0.000 0.818 561 A HN 0.426 nan 8.150 nan 0.000 0.445 562 K N -0.082 120.293 120.400 -0.042 0.000 2.002 562 K HA 0.002 4.323 4.320 0.001 0.000 0.209 562 K C 2.008 178.579 176.600 -0.048 0.000 1.048 562 K CA 1.634 57.893 56.287 -0.047 0.000 0.930 562 K CB -1.300 31.163 32.500 -0.061 0.000 0.714 562 K HN 0.505 nan 8.250 nan 0.000 0.438 563 L N -0.221 120.947 121.223 -0.092 0.000 2.042 563 L HA -0.164 4.176 4.340 0.001 0.000 0.210 563 L C 3.032 179.939 176.870 0.062 0.000 1.076 563 L CA 1.891 56.649 54.840 -0.137 0.000 0.749 563 L CB -0.333 41.528 42.059 -0.331 0.000 0.893 563 L HN 0.453 nan 8.230 nan 0.000 0.432 564 R N 0.216 120.776 120.500 0.100 0.000 2.073 564 R HA -0.186 4.154 4.340 0.001 0.000 0.234 564 R C 1.941 178.387 176.300 0.245 0.000 1.134 564 R CA 1.994 58.222 56.100 0.214 0.000 0.952 564 R CB -0.151 30.211 30.300 0.104 0.000 0.850 564 R HN 0.315 nan 8.270 nan 0.000 0.433 565 D N 0.273 120.731 120.400 0.097 0.000 2.092 565 D HA -0.169 4.472 4.640 0.001 0.000 0.193 565 D C 2.173 178.559 176.300 0.143 0.000 0.994 565 D CA 2.286 56.337 54.000 0.085 0.000 0.828 565 D CB -0.396 40.414 40.800 0.016 0.000 0.963 565 D HN 0.388 nan 8.370 nan 0.000 0.450 566 K N 0.982 121.444 120.400 0.103 0.000 2.063 566 K HA -0.184 4.136 4.320 0.001 0.000 0.208 566 K C 2.028 178.712 176.600 0.140 0.000 1.048 566 K CA 1.959 58.302 56.287 0.095 0.000 0.928 566 K CB -1.028 31.502 32.500 0.051 0.000 0.713 566 K HN 0.253 nan 8.250 nan 0.000 0.442 567 E N -1.349 118.973 120.200 0.203 0.000 2.265 567 E HA -0.081 4.269 4.350 0.001 0.000 0.196 567 E C -0.342 176.297 176.600 0.065 0.000 0.996 567 E CA 0.490 56.984 56.400 0.157 0.000 0.832 567 E CB -0.136 29.689 29.700 0.208 0.000 0.756 567 E HN 0.698 nan 8.360 nan 0.000 0.491 568 W N 1.169 122.484 121.300 0.024 0.000 2.308 568 W HA 0.508 5.169 4.660 0.001 0.000 0.311 568 W C 0.590 177.112 176.519 0.005 0.000 1.088 568 W CA 0.415 57.766 57.345 0.011 0.000 1.309 568 W CB 0.138 29.602 29.460 0.006 0.000 1.229 568 W HN 0.080 nan 8.180 nan 0.000 0.427 569 K N 0.000 120.479 120.400 0.131 0.000 2.780 569 K HA 0.000 4.321 4.320 0.001 0.000 0.191 569 K CA 0.000 56.336 56.287 0.082 0.000 0.838 569 K CB 0.000 32.560 32.500 0.101 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543