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 6acn_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DPGCHYDQVI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINIENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG SSREHSALEP DATA SEQUENCE RHLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL KCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.272 176.300 -0.047 0.000 0.893 2 R CA 0.000 56.094 56.100 -0.009 0.000 0.921 2 R CB 0.000 30.318 30.300 0.030 0.000 0.687 3 A N 1.537 124.337 122.820 -0.033 0.000 2.386 3 A HA 0.549 4.869 4.320 -0.001 0.000 0.246 3 A C -0.047 177.393 177.584 -0.240 0.000 1.089 3 A CA 0.520 52.506 52.037 -0.085 0.000 0.790 3 A CB 0.287 19.278 19.000 -0.015 0.000 1.042 3 A HN 0.161 nan 8.150 nan 0.000 0.497 4 K N 0.600 120.793 120.400 -0.345 0.000 3.200 4 K HA 0.426 4.746 4.320 -0.001 0.000 0.179 4 K C -1.723 174.538 176.600 -0.565 0.000 1.153 4 K CA -0.027 55.799 56.287 -0.768 0.000 0.836 4 K CB 0.873 32.966 32.500 -0.678 0.000 1.051 4 K HN 0.404 nan 8.250 nan 0.000 0.594 5 V N 1.934 121.684 119.914 -0.274 0.000 2.370 5 V HA 0.622 4.741 4.120 -0.001 0.000 0.283 5 V C 0.385 176.525 176.094 0.077 0.000 1.023 5 V CA -1.030 61.214 62.300 -0.093 0.000 0.857 5 V CB 1.304 33.038 31.823 -0.148 0.000 0.985 5 V HN 0.619 nan 8.190 nan 0.000 0.443 6 A N 5.022 127.906 122.820 0.106 0.000 2.386 6 A HA 0.426 4.746 4.320 -0.001 0.000 0.248 6 A C 1.293 178.787 177.584 -0.150 0.000 1.082 6 A CA -0.184 51.852 52.037 -0.003 0.000 0.789 6 A CB 0.213 19.151 19.000 -0.103 0.000 1.025 6 A HN 0.911 nan 8.150 nan 0.000 0.490 7 M N 0.756 120.259 119.600 -0.160 0.000 2.149 7 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 7 M C 0.909 177.198 176.300 -0.017 0.000 1.064 7 M CA 2.051 57.282 55.300 -0.113 0.000 1.102 7 M CB -0.375 32.241 32.600 0.025 0.000 1.369 7 M HN 0.992 nan 8.290 nan 0.000 0.408 8 S N -2.979 112.701 115.700 -0.033 0.000 2.703 8 S HA 0.240 4.710 4.470 -0.001 0.000 0.273 8 S C 0.205 174.715 174.600 -0.150 0.000 1.178 8 S CA -1.038 57.150 58.200 -0.019 0.000 0.838 8 S CB 0.450 63.760 63.200 0.184 0.000 1.178 8 S HN 0.253 nan 8.310 nan 0.000 0.494 9 H N -0.225 118.726 119.070 -0.198 0.000 2.524 9 H HA 0.158 4.713 4.556 -0.001 0.000 0.282 9 H C 0.552 175.612 175.328 -0.447 0.000 1.016 9 H CA 1.308 57.125 56.048 -0.384 0.000 1.270 9 H CB -0.108 29.276 29.762 -0.630 0.000 1.394 9 H HN 0.578 nan 8.280 nan 0.000 0.568 10 F N 0.421 120.403 119.950 0.054 0.000 2.746 10 F HA 0.140 4.667 4.527 -0.001 0.000 0.297 10 F C 0.270 176.163 175.800 0.155 0.000 1.113 10 F CA 0.199 58.234 58.000 0.058 0.000 1.367 10 F CB 0.632 39.566 39.000 -0.110 0.000 1.111 10 F HN -0.081 nan 8.300 nan 0.000 0.590 11 E N 0.647 120.951 120.200 0.174 0.000 3.386 11 E HA 0.156 4.506 4.350 -0.001 0.000 0.236 11 E C -1.981 174.409 176.600 -0.350 0.000 1.227 11 E CA -1.421 54.943 56.400 -0.059 0.000 0.970 11 E CB 0.779 30.407 29.700 -0.121 0.000 1.343 11 E HN -0.077 nan 8.360 nan 0.000 0.397 12 P HA -0.144 nan 4.420 nan 0.000 0.234 12 P C 0.265 177.410 177.300 -0.258 0.000 1.167 12 P CA 1.078 64.097 63.100 -0.134 0.000 0.763 12 P CB 0.070 31.776 31.700 0.011 0.000 0.835 13 H N -3.219 115.678 119.070 -0.288 0.000 2.893 13 H HA 0.485 5.041 4.556 -0.001 0.000 0.270 13 H C 0.088 175.003 175.328 -0.688 0.000 1.095 13 H CA -0.423 55.352 56.048 -0.454 0.000 1.186 13 H CB -0.069 29.576 29.762 -0.195 0.000 1.562 13 H HN -0.075 nan 8.280 nan 0.000 0.536 14 E N 1.127 120.718 120.200 -1.015 0.000 2.155 14 E HA 0.286 4.636 4.350 -0.001 0.000 0.264 14 E C -1.636 174.661 176.600 -0.505 0.000 0.886 14 E CA -0.842 55.191 56.400 -0.613 0.000 0.752 14 E CB 0.437 29.799 29.700 -0.564 0.000 1.133 14 E HN 0.285 nan 8.360 nan 0.000 0.414 15 Y N 2.761 122.987 120.300 -0.123 0.000 2.487 15 Y HA 0.449 4.999 4.550 -0.001 0.000 0.337 15 Y C 0.506 176.289 175.900 -0.196 0.000 1.076 15 Y CA -1.224 56.779 58.100 -0.161 0.000 1.115 15 Y CB 0.940 39.322 38.460 -0.130 0.000 1.235 15 Y HN 0.410 nan 8.280 nan 0.000 0.468 16 I N 4.055 124.539 120.570 -0.142 0.000 2.618 16 I HA 0.065 4.235 4.170 -0.001 0.000 0.284 16 I C 0.231 176.153 176.117 -0.325 0.000 1.146 16 I CA 0.060 61.139 61.300 -0.367 0.000 1.425 16 I CB 0.292 37.831 38.000 -0.769 0.000 1.383 16 I HN 0.371 nan 8.210 nan 0.000 0.562 17 R N 6.896 127.257 120.500 -0.230 0.000 3.256 17 R HA 0.153 4.493 4.340 -0.001 0.000 0.263 17 R C -0.131 176.061 176.300 -0.180 0.000 1.388 17 R CA -0.396 55.599 56.100 -0.175 0.000 1.580 17 R CB -0.181 30.080 30.300 -0.066 0.000 1.255 17 R HN 0.572 nan 8.270 nan 0.000 0.640 18 Y N 0.924 120.998 120.300 -0.377 0.000 2.516 18 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 18 Y C 1.900 177.495 175.900 -0.509 0.000 1.131 18 Y CA 0.358 58.099 58.100 -0.598 0.000 1.281 18 Y CB -0.034 37.656 38.460 -1.283 0.000 1.013 18 Y HN 0.389 nan 8.280 nan 0.000 0.554 19 D N -0.205 120.096 120.400 -0.166 0.000 2.117 19 D HA -0.188 4.451 4.640 -0.001 0.000 0.198 19 D C 2.093 178.390 176.300 -0.005 0.000 0.982 19 D CA 0.914 54.935 54.000 0.034 0.000 0.828 19 D CB -0.640 40.198 40.800 0.063 0.000 0.967 19 D HN 0.327 nan 8.370 nan 0.000 0.464 20 L N -0.277 120.920 121.223 -0.042 0.000 2.072 20 L HA -0.085 4.255 4.340 -0.001 0.000 0.205 20 L C 2.609 179.434 176.870 -0.076 0.000 1.079 20 L CA 0.496 55.310 54.840 -0.044 0.000 0.752 20 L CB -0.302 41.729 42.059 -0.046 0.000 0.906 20 L HN -0.007 nan 8.230 nan 0.000 0.436 21 L N 0.094 121.251 121.223 -0.110 0.000 1.956 21 L HA -0.315 4.024 4.340 -0.001 0.000 0.216 21 L C 2.515 179.301 176.870 -0.140 0.000 1.073 21 L CA 2.334 57.094 54.840 -0.133 0.000 0.762 21 L CB -0.626 41.385 42.059 -0.080 0.000 0.889 21 L HN 0.392 nan 8.230 nan 0.000 0.433 22 E N -0.479 119.597 120.200 -0.207 0.000 2.085 22 E HA -0.348 4.002 4.350 -0.001 0.000 0.194 22 E C 2.239 178.758 176.600 -0.134 0.000 0.994 22 E CA 1.814 58.010 56.400 -0.341 0.000 0.801 22 E CB -0.201 29.344 29.700 -0.258 0.000 0.743 22 E HN 0.572 nan 8.360 nan 0.000 0.453 23 K N 0.229 120.597 120.400 -0.052 0.000 2.057 23 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 23 K C 1.768 178.362 176.600 -0.009 0.000 1.050 23 K CA 1.791 58.070 56.287 -0.013 0.000 0.935 23 K CB -0.036 32.466 32.500 0.004 0.000 0.715 23 K HN 0.063 nan 8.250 nan 0.000 0.439 24 N N 0.858 119.550 118.700 -0.014 0.000 2.270 24 N HA -0.059 4.680 4.740 -0.001 0.000 0.181 24 N C 1.822 177.352 175.510 0.034 0.000 1.016 24 N CA 1.201 54.259 53.050 0.013 0.000 0.870 24 N CB -0.121 38.377 38.487 0.018 0.000 0.979 24 N HN 0.268 nan 8.380 nan 0.000 0.431 25 I N 0.806 121.386 120.570 0.016 0.000 2.226 25 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 25 I C 1.973 178.128 176.117 0.062 0.000 1.100 25 I CA 1.353 62.685 61.300 0.054 0.000 1.374 25 I CB -0.131 37.882 38.000 0.021 0.000 1.057 25 I HN 0.051 nan 8.210 nan 0.000 0.413 26 D N 0.938 121.359 120.400 0.034 0.000 2.137 26 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 26 D C 2.195 178.518 176.300 0.039 0.000 0.970 26 D CA 1.005 55.033 54.000 0.046 0.000 0.837 26 D CB 0.054 40.877 40.800 0.038 0.000 0.981 26 D HN 0.233 nan 8.370 nan 0.000 0.475 27 I N -0.132 120.456 120.570 0.030 0.000 2.091 27 I HA -0.298 3.871 4.170 -0.001 0.000 0.239 27 I C 2.405 178.537 176.117 0.025 0.000 1.061 27 I CA 0.824 62.139 61.300 0.025 0.000 1.317 27 I CB -0.378 37.634 38.000 0.021 0.000 1.031 27 I HN 0.008 nan 8.210 nan 0.000 0.401 28 V N 0.661 120.597 119.914 0.036 0.000 2.255 28 V HA -0.349 3.770 4.120 -0.001 0.000 0.247 28 V C 2.650 178.770 176.094 0.042 0.000 1.051 28 V CA 2.216 64.536 62.300 0.033 0.000 1.018 28 V CB -0.766 31.109 31.823 0.087 0.000 0.641 28 V HN 0.409 nan 8.190 nan 0.000 0.445 29 R N 0.229 120.770 120.500 0.068 0.000 2.133 29 R HA -0.260 4.079 4.340 -0.001 0.000 0.245 29 R C 2.290 178.614 176.300 0.041 0.000 1.137 29 R CA 2.291 58.431 56.100 0.066 0.000 0.947 29 R CB -0.267 30.076 30.300 0.071 0.000 0.865 29 R HN 0.472 nan 8.270 nan 0.000 0.437 30 K N -0.470 119.949 120.400 0.032 0.000 2.439 30 K HA -0.070 4.250 4.320 -0.001 0.000 0.197 30 K C 2.101 178.706 176.600 0.009 0.000 1.041 30 K CA 0.803 57.102 56.287 0.020 0.000 0.970 30 K CB 0.110 32.622 32.500 0.019 0.000 0.773 30 K HN 0.243 nan 8.250 nan 0.000 0.479 31 R N 0.197 120.699 120.500 0.003 0.000 2.112 31 R HA 0.112 4.452 4.340 -0.001 0.000 0.216 31 R C 2.047 178.340 176.300 -0.012 0.000 1.080 31 R CA 0.579 56.673 56.100 -0.010 0.000 0.996 31 R CB 0.006 30.291 30.300 -0.024 0.000 0.902 31 R HN 0.096 nan 8.270 nan 0.000 0.449 32 L N 0.706 121.925 121.223 -0.006 0.000 2.240 32 L HA -0.006 4.333 4.340 -0.001 0.000 0.211 32 L C 0.028 176.901 176.870 0.005 0.000 1.106 32 L CA 0.359 55.197 54.840 -0.002 0.000 0.793 32 L CB -0.381 41.687 42.059 0.015 0.000 0.927 32 L HN 0.316 nan 8.230 nan 0.000 0.446 33 N N 1.949 120.655 118.700 0.011 0.000 2.705 33 N HA -0.200 4.540 4.740 -0.001 0.000 0.255 33 N C -0.291 175.223 175.510 0.007 0.000 1.008 33 N CA 0.961 54.016 53.050 0.009 0.000 0.742 33 N CB -0.697 37.791 38.487 0.001 0.000 0.906 33 N HN 0.617 nan 8.380 nan 0.000 0.541 34 R N -1.936 118.574 120.500 0.016 0.000 2.692 34 R HA 0.560 4.900 4.340 -0.001 0.000 0.269 34 R C -3.139 173.172 176.300 0.019 0.000 1.030 34 R CA -1.411 54.696 56.100 0.010 0.000 0.882 34 R CB 0.897 31.202 30.300 0.008 0.000 1.250 34 R HN -0.219 nan 8.270 nan 0.000 0.465 35 P HA 0.104 nan 4.420 nan 0.000 0.268 35 P C -0.670 176.631 177.300 0.001 0.000 1.205 35 P CA -0.105 62.994 63.100 -0.001 0.000 0.771 35 P CB 0.678 32.362 31.700 -0.027 0.000 0.858 36 L N 1.990 123.219 121.223 0.010 0.000 2.334 36 L HA 0.384 4.724 4.340 -0.001 0.000 0.275 36 L C 1.549 178.386 176.870 -0.056 0.000 1.036 36 L CA -0.778 54.068 54.840 0.011 0.000 0.807 36 L CB 1.401 43.492 42.059 0.054 0.000 1.231 36 L HN 0.438 nan 8.230 nan 0.000 0.438 37 T N -1.281 113.215 114.554 -0.097 0.000 2.726 37 T HA 0.114 4.464 4.350 -0.001 0.000 0.294 37 T C 0.941 175.616 174.700 -0.042 0.000 1.013 37 T CA -0.533 61.503 62.100 -0.106 0.000 0.996 37 T CB 0.883 69.703 68.868 -0.080 0.000 1.016 37 T HN 0.493 nan 8.240 nan 0.000 0.529 38 L N 1.197 122.427 121.223 0.012 0.000 2.017 38 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 38 L C 2.754 179.625 176.870 0.001 0.000 1.073 38 L CA 2.635 57.496 54.840 0.034 0.000 0.745 38 L CB -1.301 40.805 42.059 0.078 0.000 0.894 38 L HN 0.943 nan 8.230 nan 0.000 0.432 39 S N -1.616 114.074 115.700 -0.017 0.000 2.423 39 S HA -0.162 4.308 4.470 -0.001 0.000 0.231 39 S C 1.737 176.219 174.600 -0.196 0.000 1.014 39 S CA 1.072 59.238 58.200 -0.057 0.000 0.965 39 S CB -0.659 62.519 63.200 -0.037 0.000 0.785 39 S HN 0.655 nan 8.310 nan 0.000 0.495 40 E N 1.651 121.673 120.200 -0.297 0.000 2.028 40 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 40 E C 2.155 178.481 176.600 -0.458 0.000 0.984 40 E CA 1.074 57.047 56.400 -0.713 0.000 0.800 40 E CB -0.141 29.257 29.700 -0.504 0.000 0.758 40 E HN 0.557 nan 8.360 nan 0.000 0.448 41 K N 0.641 120.957 120.400 -0.140 0.000 2.020 41 K HA -0.178 4.142 4.320 -0.001 0.000 0.212 41 K C 2.124 178.749 176.600 0.043 0.000 1.050 41 K CA 1.477 57.766 56.287 0.005 0.000 0.929 41 K CB -0.191 32.345 32.500 0.060 0.000 0.714 41 K HN 0.121 nan 8.250 nan 0.000 0.443 42 I N 0.141 120.742 120.570 0.051 0.000 2.353 42 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 42 I C 2.171 178.418 176.117 0.217 0.000 1.119 42 I CA 0.706 62.100 61.300 0.156 0.000 1.417 42 I CB -0.135 37.944 38.000 0.133 0.000 1.078 42 I HN -0.045 nan 8.210 nan 0.000 0.421 43 V N 0.419 120.369 119.914 0.060 0.000 2.244 43 V HA -0.299 3.820 4.120 -0.001 0.000 0.244 43 V C 2.211 178.456 176.094 0.253 0.000 1.042 43 V CA 1.956 64.318 62.300 0.104 0.000 1.006 43 V CB -0.762 31.038 31.823 -0.037 0.000 0.641 43 V HN 0.351 nan 8.190 nan 0.000 0.446 44 Y N 0.628 120.998 120.300 0.117 0.000 2.333 44 Y HA -0.115 4.435 4.550 -0.001 0.000 0.290 44 Y C 2.477 178.432 175.900 0.091 0.000 1.144 44 Y CA 0.366 58.521 58.100 0.091 0.000 1.228 44 Y CB -0.545 37.952 38.460 0.061 0.000 0.985 44 Y HN 0.399 nan 8.280 nan 0.000 0.542 45 G N -1.243 107.686 108.800 0.215 0.000 2.625 45 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.214 45 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.214 45 G C 0.428 175.337 174.900 0.015 0.000 1.132 45 G CA 0.563 45.715 45.100 0.086 0.000 0.782 45 G HN 0.501 nan 8.290 nan 0.000 0.538 46 H N -1.058 118.091 119.070 0.131 0.000 2.581 46 H HA 0.388 4.943 4.556 -0.001 0.000 0.275 46 H C 0.463 175.873 175.328 0.136 0.000 1.126 46 H CA -0.646 55.478 56.048 0.127 0.000 1.097 46 H CB 0.424 30.266 29.762 0.133 0.000 1.626 46 H HN 0.119 nan 8.280 nan 0.000 0.565 47 L N 0.425 121.778 121.223 0.216 0.000 2.439 47 L HA 0.022 4.361 4.340 -0.001 0.000 0.269 47 L C 1.422 178.367 176.870 0.125 0.000 1.179 47 L CA 0.128 55.064 54.840 0.161 0.000 0.828 47 L CB 0.801 42.931 42.059 0.118 0.000 1.106 47 L HN 0.234 nan 8.230 nan 0.000 0.467 48 D N 0.091 120.558 120.400 0.111 0.000 2.194 48 D HA -0.123 4.517 4.640 -0.001 0.000 0.204 48 D C 0.222 176.560 176.300 0.063 0.000 0.964 48 D CA 1.014 55.069 54.000 0.091 0.000 0.846 48 D CB 0.353 41.208 40.800 0.092 0.000 0.962 48 D HN 0.424 nan 8.370 nan 0.000 0.490 49 D N -0.956 119.474 120.400 0.050 0.000 2.405 49 D HA 0.141 4.780 4.640 -0.001 0.000 0.264 49 D C -1.950 174.363 176.300 0.021 0.000 1.240 49 D CA -1.717 52.302 54.000 0.032 0.000 0.893 49 D CB 1.511 42.326 40.800 0.024 0.000 1.198 49 D HN 0.013 nan 8.370 nan 0.000 0.514 50 P HA -0.106 nan 4.420 nan 0.000 0.218 50 P C 1.209 178.506 177.300 -0.005 0.000 1.149 50 P CA 0.646 63.753 63.100 0.013 0.000 0.817 50 P CB 0.442 32.161 31.700 0.031 0.000 0.785 51 A N 0.523 123.344 122.820 0.001 0.000 1.898 51 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 51 A C 2.150 179.727 177.584 -0.012 0.000 1.181 51 A CA 1.690 53.725 52.037 -0.004 0.000 0.620 51 A CB -1.007 17.995 19.000 0.003 0.000 0.819 51 A HN 0.157 nan 8.150 nan 0.000 0.442 52 N N -0.946 117.748 118.700 -0.010 0.000 2.388 52 N HA 0.026 4.766 4.740 -0.001 0.000 0.176 52 N C 0.666 176.162 175.510 -0.025 0.000 1.062 52 N CA 0.215 53.257 53.050 -0.015 0.000 0.895 52 N CB -0.209 38.274 38.487 -0.007 0.000 1.018 52 N HN 0.552 nan 8.380 nan 0.000 0.456 53 Q N 2.808 122.591 119.800 -0.028 0.000 2.308 53 Q HA -0.101 4.239 4.340 -0.001 0.000 0.313 53 Q C -0.406 175.551 176.000 -0.072 0.000 1.075 53 Q CA 0.280 56.057 55.803 -0.044 0.000 0.995 53 Q CB 0.380 29.088 28.738 -0.050 0.000 1.107 53 Q HN 0.159 nan 8.270 nan 0.000 0.380 54 E N 5.222 125.384 120.200 -0.064 0.000 2.180 54 E HA 0.182 4.532 4.350 -0.001 0.000 0.283 54 E C -0.736 175.800 176.600 -0.108 0.000 1.061 54 E CA -0.034 56.322 56.400 -0.073 0.000 0.861 54 E CB 0.286 29.959 29.700 -0.046 0.000 1.056 54 E HN 0.557 nan 8.360 nan 0.000 0.407 55 I N 2.655 123.134 120.570 -0.152 0.000 2.354 55 I HA 0.265 4.434 4.170 -0.001 0.000 0.286 55 I C 0.093 176.133 176.117 -0.127 0.000 1.007 55 I CA -0.327 60.844 61.300 -0.215 0.000 1.167 55 I CB 0.858 38.580 38.000 -0.463 0.000 1.320 55 I HN 0.396 nan 8.210 nan 0.000 0.458 56 E N 6.161 126.315 120.200 -0.076 0.000 2.274 56 E HA 0.366 4.716 4.350 -0.001 0.000 0.269 56 E C -0.955 175.636 176.600 -0.016 0.000 0.891 56 E CA -0.903 55.475 56.400 -0.037 0.000 0.784 56 E CB 2.120 31.795 29.700 -0.042 0.000 1.225 56 E HN 0.479 nan 8.360 nan 0.000 0.412 57 R N 0.670 121.185 120.500 0.024 0.000 2.489 57 R HA 0.208 4.548 4.340 -0.001 0.000 0.287 57 R C 1.010 177.307 176.300 -0.006 0.000 1.053 57 R CA 0.993 57.114 56.100 0.035 0.000 1.036 57 R CB 0.415 30.755 30.300 0.066 0.000 0.966 57 R HN 0.886 nan 8.270 nan 0.000 0.432 58 G N 1.789 110.568 108.800 -0.034 0.000 2.175 58 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.265 58 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.265 58 G C 0.755 175.598 174.900 -0.095 0.000 0.979 58 G CA 0.633 45.695 45.100 -0.062 0.000 0.663 58 G HN 0.582 nan 8.290 nan 0.000 0.533 59 K N -0.748 119.589 120.400 -0.105 0.000 2.509 59 K HA 0.137 4.457 4.320 -0.001 0.000 0.205 59 K C 1.433 177.941 176.600 -0.154 0.000 1.336 59 K CA 1.256 57.477 56.287 -0.111 0.000 0.912 59 K CB 0.089 32.552 32.500 -0.062 0.000 1.568 59 K HN 0.546 nan 8.250 nan 0.000 0.475 60 T N -0.792 113.681 114.554 -0.135 0.000 2.918 60 T HA 0.387 4.736 4.350 -0.001 0.000 0.283 60 T C -0.114 174.473 174.700 -0.188 0.000 1.001 60 T CA -0.474 61.557 62.100 -0.115 0.000 1.041 60 T CB 0.708 69.537 68.868 -0.065 0.000 1.028 60 T HN -0.041 nan 8.240 nan 0.000 0.511 61 Y N 1.170 121.420 120.300 -0.084 0.000 2.425 61 Y HA 0.400 4.950 4.550 -0.001 0.000 0.347 61 Y C 0.481 176.320 175.900 -0.102 0.000 0.976 61 Y CA -0.919 57.114 58.100 -0.112 0.000 1.190 61 Y CB 0.425 38.797 38.460 -0.147 0.000 1.136 61 Y HN 0.440 nan 8.280 nan 0.000 0.517 62 L N 4.544 125.775 121.223 0.014 0.000 2.426 62 L HA 0.337 4.676 4.340 -0.001 0.000 0.271 62 L C 0.374 177.242 176.870 -0.003 0.000 1.169 62 L CA -0.218 54.629 54.840 0.012 0.000 0.836 62 L CB 0.650 42.731 42.059 0.037 0.000 1.112 62 L HN 0.528 nan 8.230 nan 0.000 0.465 63 R N 3.819 124.337 120.500 0.029 0.000 2.275 63 R HA 0.611 4.951 4.340 -0.001 0.000 0.326 63 R C -1.258 175.105 176.300 0.105 0.000 0.973 63 R CA -0.335 55.793 56.100 0.046 0.000 0.854 63 R CB 0.519 30.842 30.300 0.037 0.000 1.156 63 R HN 0.584 nan 8.270 nan 0.000 0.487 64 L N 2.819 124.140 121.223 0.163 0.000 2.286 64 L HA 0.668 5.007 4.340 -0.001 0.000 0.265 64 L C 0.082 177.124 176.870 0.286 0.000 1.012 64 L CA -1.397 53.596 54.840 0.255 0.000 0.818 64 L CB 1.829 44.096 42.059 0.348 0.000 1.337 64 L HN 0.426 nan 8.230 nan 0.000 0.438 65 R N 1.155 121.815 120.500 0.266 0.000 2.487 65 R HA 0.369 4.709 4.340 -0.001 0.000 0.288 65 R C -2.636 173.770 176.300 0.175 0.000 1.394 65 R CA -1.865 54.363 56.100 0.215 0.000 1.155 65 R CB 1.134 31.549 30.300 0.191 0.000 1.156 65 R HN 0.237 nan 8.270 nan 0.000 0.553 66 P HA 0.048 nan 4.420 nan 0.000 0.269 66 P C 0.396 177.684 177.300 -0.020 0.000 1.209 66 P CA -0.095 62.959 63.100 -0.076 0.000 0.776 66 P CB 1.032 32.588 31.700 -0.240 0.000 0.876 67 D N 1.444 121.825 120.400 -0.032 0.000 2.137 67 D HA -0.036 4.603 4.640 -0.001 0.000 0.202 67 D C 0.812 177.116 176.300 0.006 0.000 0.970 67 D CA 1.365 55.390 54.000 0.041 0.000 0.837 67 D CB 0.357 41.211 40.800 0.090 0.000 0.981 67 D HN 0.498 nan 8.370 nan 0.000 0.475 68 R N -0.820 119.647 120.500 -0.055 0.000 2.710 68 R HA 0.584 4.924 4.340 -0.001 0.000 0.270 68 R C -1.590 174.632 176.300 -0.129 0.000 1.021 68 R CA -0.793 55.266 56.100 -0.068 0.000 0.889 68 R CB 1.496 31.773 30.300 -0.037 0.000 1.243 68 R HN -0.268 nan 8.270 nan 0.000 0.464 69 V N 0.795 120.628 119.914 -0.134 0.000 2.513 69 V HA 0.809 4.928 4.120 -0.001 0.000 0.299 69 V C -0.425 175.587 176.094 -0.137 0.000 1.035 69 V CA -0.592 61.615 62.300 -0.156 0.000 0.889 69 V CB 1.549 33.277 31.823 -0.158 0.000 0.988 69 V HN 0.966 nan 8.190 nan 0.000 0.440 70 A N 5.802 128.548 122.820 -0.124 0.000 2.371 70 A HA 0.953 5.272 4.320 -0.001 0.000 0.311 70 A C -0.809 176.746 177.584 -0.049 0.000 1.068 70 A CA -0.590 51.400 52.037 -0.078 0.000 0.744 70 A CB 1.507 20.432 19.000 -0.125 0.000 1.239 70 A HN 0.790 nan 8.150 nan 0.000 0.435 71 M N 1.683 121.296 119.600 0.021 0.000 2.644 71 M HA 0.477 4.957 4.480 -0.001 0.000 0.304 71 M C -0.524 175.821 176.300 0.076 0.000 1.215 71 M CA -0.658 54.653 55.300 0.018 0.000 0.871 71 M CB 2.324 34.927 32.600 0.005 0.000 1.740 71 M HN 0.782 nan 8.290 nan 0.000 0.464 72 Q N 1.817 121.616 119.800 -0.001 0.000 2.365 72 Q HA 0.194 4.533 4.340 -0.001 0.000 0.269 72 Q C -0.529 175.456 176.000 -0.025 0.000 1.061 72 Q CA -0.371 55.403 55.803 -0.049 0.000 0.816 72 Q CB 1.827 30.456 28.738 -0.182 0.000 1.325 72 Q HN 0.863 nan 8.270 nan 0.000 0.446 73 D N 2.587 123.017 120.400 0.049 0.000 2.310 73 D HA -0.099 4.541 4.640 -0.001 0.000 0.212 73 D C 1.065 177.423 176.300 0.096 0.000 0.965 73 D CA 1.211 55.288 54.000 0.128 0.000 0.879 73 D CB -0.078 40.865 40.800 0.240 0.000 0.921 73 D HN 0.499 nan 8.370 nan 0.000 0.510 74 A N 0.327 123.139 122.820 -0.012 0.000 2.067 74 A HA 0.021 4.341 4.320 -0.001 0.000 0.217 74 A C 2.138 179.727 177.584 0.009 0.000 1.156 74 A CA 1.594 53.633 52.037 0.003 0.000 0.683 74 A CB -0.449 18.542 19.000 -0.015 0.000 0.808 74 A HN 0.420 nan 8.150 nan 0.000 0.455 75 T N -4.624 109.925 114.554 -0.008 0.000 3.010 75 T HA 0.478 4.828 4.350 -0.001 0.000 0.257 75 T C 1.656 176.417 174.700 0.102 0.000 1.020 75 T CA 0.772 62.922 62.100 0.083 0.000 0.938 75 T CB 0.231 69.125 68.868 0.044 0.000 1.049 75 T HN 0.359 nan 8.240 nan 0.000 0.522 76 A N 1.905 124.776 122.820 0.086 0.000 2.015 76 A HA -0.030 4.289 4.320 -0.001 0.000 0.219 76 A C 2.363 180.042 177.584 0.157 0.000 1.163 76 A CA 1.122 53.217 52.037 0.097 0.000 0.646 76 A CB -0.577 18.483 19.000 0.099 0.000 0.806 76 A HN 0.596 nan 8.150 nan 0.000 0.448 77 Q N -1.664 118.267 119.800 0.217 0.000 2.016 77 Q HA -0.166 4.173 4.340 -0.001 0.000 0.200 77 Q C 2.113 178.271 176.000 0.263 0.000 0.978 77 Q CA 1.678 57.671 55.803 0.317 0.000 0.833 77 Q CB -0.297 28.606 28.738 0.274 0.000 0.895 77 Q HN 0.578 nan 8.270 nan 0.000 0.427 78 M N 0.662 120.379 119.600 0.196 0.000 2.175 78 M HA -0.044 4.436 4.480 -0.001 0.000 0.264 78 M C 1.950 178.295 176.300 0.076 0.000 1.063 78 M CA 1.505 56.866 55.300 0.102 0.000 1.119 78 M CB -0.495 32.126 32.600 0.035 0.000 1.377 78 M HN 0.207 nan 8.290 nan 0.000 0.415 79 A N -0.236 122.637 122.820 0.088 0.000 1.877 79 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 79 A C 2.063 179.696 177.584 0.083 0.000 1.186 79 A CA 1.956 54.028 52.037 0.058 0.000 0.620 79 A CB -0.575 18.446 19.000 0.034 0.000 0.822 79 A HN 0.495 nan 8.150 nan 0.000 0.443 80 M N -0.541 119.128 119.600 0.115 0.000 2.200 80 M HA 0.071 4.550 4.480 -0.001 0.000 0.265 80 M C 2.083 178.511 176.300 0.212 0.000 1.066 80 M CA 0.996 56.376 55.300 0.133 0.000 1.127 80 M CB -1.377 31.264 32.600 0.067 0.000 1.379 80 M HN 0.375 nan 8.290 nan 0.000 0.420 81 L N -0.462 120.909 121.223 0.246 0.000 2.093 81 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 81 L C 2.498 179.400 176.870 0.053 0.000 1.085 81 L CA 1.128 56.076 54.840 0.179 0.000 0.755 81 L CB -0.570 41.548 42.059 0.099 0.000 0.904 81 L HN 0.387 nan 8.230 nan 0.000 0.435 82 Q N -1.008 118.807 119.800 0.026 0.000 2.123 82 Q HA -0.192 4.147 4.340 -0.001 0.000 0.199 82 Q C 2.147 178.125 176.000 -0.036 0.000 0.966 82 Q CA 1.353 57.137 55.803 -0.032 0.000 0.845 82 Q CB -0.181 28.535 28.738 -0.037 0.000 0.907 82 Q HN 0.358 nan 8.270 nan 0.000 0.439 83 F N 1.665 121.543 119.950 -0.120 0.000 2.069 83 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 83 F C 1.968 177.623 175.800 -0.243 0.000 1.113 83 F CA 1.169 59.051 58.000 -0.196 0.000 1.214 83 F CB -0.276 38.566 39.000 -0.264 0.000 0.978 83 F HN -0.048 nan 8.300 nan 0.000 0.474 84 I N -0.402 120.037 120.570 -0.217 0.000 2.236 84 I HA -0.410 3.759 4.170 -0.001 0.000 0.249 84 I C 2.242 178.236 176.117 -0.206 0.000 1.102 84 I CA 1.794 62.982 61.300 -0.187 0.000 1.365 84 I CB -0.559 37.492 38.000 0.084 0.000 1.051 84 I HN 0.111 nan 8.210 nan 0.000 0.420 85 S N -0.007 115.586 115.700 -0.179 0.000 2.481 85 S HA -0.107 4.363 4.470 -0.001 0.000 0.231 85 S C 2.064 176.536 174.600 -0.212 0.000 0.996 85 S CA 1.130 59.231 58.200 -0.164 0.000 0.942 85 S CB -0.172 62.946 63.200 -0.136 0.000 0.768 85 S HN 0.639 nan 8.310 nan 0.000 0.520 86 S N 1.147 116.652 115.700 -0.325 0.000 2.402 86 S HA 0.128 4.597 4.470 -0.001 0.000 0.229 86 S C 1.821 176.247 174.600 -0.289 0.000 1.021 86 S CA 1.155 59.169 58.200 -0.309 0.000 0.974 86 S CB -0.679 62.267 63.200 -0.423 0.000 0.800 86 S HN 0.803 nan 8.310 nan 0.000 0.484 87 G N 0.621 109.206 108.800 -0.359 0.000 2.175 87 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.244 87 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.244 87 G C -0.013 174.758 174.900 -0.214 0.000 0.982 87 G CA 0.135 45.103 45.100 -0.219 0.000 0.641 87 G HN 0.547 nan 8.290 nan 0.000 0.527 88 L N 1.450 122.444 121.223 -0.382 0.000 2.483 88 L HA 0.230 4.569 4.340 -0.001 0.000 0.276 88 L C 0.275 177.123 176.870 -0.038 0.000 1.213 88 L CA -0.943 53.769 54.840 -0.215 0.000 0.843 88 L CB 0.644 42.540 42.059 -0.271 0.000 1.107 88 L HN 0.030 nan 8.230 nan 0.000 0.487 89 P HA -0.067 nan 4.420 nan 0.000 0.218 89 P C -0.308 177.237 177.300 0.408 0.000 1.152 89 P CA 1.114 64.352 63.100 0.231 0.000 0.826 89 P CB 0.344 32.120 31.700 0.127 0.000 0.790 90 K N -0.122 120.507 120.400 0.382 0.000 2.579 90 K HA 0.386 4.705 4.320 -0.001 0.000 0.284 90 K C -1.103 175.656 176.600 0.264 0.000 0.990 90 K CA -0.984 55.512 56.287 0.348 0.000 0.880 90 K CB 1.467 34.077 32.500 0.183 0.000 1.488 90 K HN -0.172 nan 8.250 nan 0.000 0.425 91 V N 0.253 120.211 119.914 0.072 0.000 2.834 91 V HA 0.696 4.815 4.120 -0.001 0.000 0.301 91 V C 0.747 176.842 176.094 0.001 0.000 1.066 91 V CA 0.386 62.628 62.300 -0.097 0.000 1.052 91 V CB 0.911 32.575 31.823 -0.265 0.000 1.021 91 V HN 0.921 nan 8.190 nan 0.000 0.480 92 A N 3.101 125.923 122.820 0.005 0.000 2.267 92 A HA 0.597 4.916 4.320 -0.001 0.000 0.213 92 A C 0.771 178.371 177.584 0.025 0.000 1.192 92 A CA 0.734 52.791 52.037 0.033 0.000 0.851 92 A CB -0.326 18.706 19.000 0.053 0.000 0.881 92 A HN 1.781 nan 8.150 nan 0.000 0.494 93 V N -5.033 114.881 119.914 0.000 0.000 3.078 93 V HA 0.611 4.731 4.120 -0.001 0.000 0.311 93 V C -3.327 172.769 176.094 0.004 0.000 1.138 93 V CA -3.052 59.255 62.300 0.011 0.000 1.007 93 V CB 1.244 33.066 31.823 -0.003 0.000 1.045 93 V HN -0.015 nan 8.190 nan 0.000 0.432 94 P HA 0.195 nan 4.420 nan 0.000 0.258 94 P C -0.455 176.829 177.300 -0.027 0.000 1.172 94 P CA 0.912 64.032 63.100 0.034 0.000 0.762 94 P CB 0.186 31.924 31.700 0.064 0.000 0.764 95 S N 1.567 117.242 115.700 -0.041 0.000 2.526 95 S HA 0.731 5.201 4.470 -0.001 0.000 0.293 95 S C -0.201 174.350 174.600 -0.082 0.000 1.092 95 S CA -0.625 57.522 58.200 -0.090 0.000 0.980 95 S CB 1.745 64.872 63.200 -0.121 0.000 1.048 95 S HN 0.531 nan 8.310 nan 0.000 0.483 96 T N -0.526 113.963 114.554 -0.109 0.000 2.906 96 T HA 0.798 5.148 4.350 -0.001 0.000 0.295 96 T C -0.733 173.910 174.700 -0.095 0.000 1.075 96 T CA -0.726 61.314 62.100 -0.101 0.000 1.005 96 T CB 0.735 69.482 68.868 -0.202 0.000 1.136 96 T HN 0.451 nan 8.240 nan 0.000 0.498 97 I N 1.861 122.360 120.570 -0.118 0.000 2.474 97 I HA 0.434 4.603 4.170 -0.001 0.000 0.294 97 I C -0.243 175.693 176.117 -0.301 0.000 1.005 97 I CA -1.010 60.258 61.300 -0.053 0.000 1.113 97 I CB 1.683 39.770 38.000 0.146 0.000 1.289 97 I HN 0.628 nan 8.210 nan 0.000 0.436 98 H N 4.235 123.294 119.070 -0.017 0.000 2.538 98 H HA 0.342 4.898 4.556 -0.001 0.000 0.353 98 H C -1.226 174.063 175.328 -0.065 0.000 1.109 98 H CA -0.614 55.385 56.048 -0.082 0.000 1.192 98 H CB 2.243 31.886 29.762 -0.197 0.000 1.555 98 H HN 0.512 nan 8.280 nan 0.000 0.518 99 C N 3.350 122.628 119.300 -0.036 0.000 2.184 99 C HA 0.125 4.585 4.460 -0.001 0.000 0.328 99 C C 0.858 175.872 174.990 0.041 0.000 1.081 99 C CA -0.610 58.410 59.018 0.003 0.000 1.533 99 C CB -1.210 26.424 27.740 -0.177 0.000 1.905 99 C HN 0.840 nan 8.230 nan 0.000 0.439 100 D N -0.858 119.616 120.400 0.123 0.000 2.448 100 D HA 0.015 4.654 4.640 -0.001 0.000 0.256 100 D C 0.978 177.354 176.300 0.126 0.000 1.108 100 D CA 0.279 54.337 54.000 0.098 0.000 0.848 100 D CB -0.296 40.543 40.800 0.064 0.000 1.281 100 D HN 0.461 nan 8.370 nan 0.000 0.509 101 H N 0.064 119.163 119.070 0.048 0.000 2.551 101 H HA 0.394 4.950 4.556 -0.001 0.000 0.266 101 H C 1.044 176.407 175.328 0.058 0.000 0.964 101 H CA 0.558 56.632 56.048 0.043 0.000 1.180 101 H CB 0.372 30.160 29.762 0.045 0.000 1.408 101 H HN 0.089 nan 8.280 nan 0.000 0.563 102 L N 0.460 121.794 121.223 0.185 0.000 2.818 102 L HA 0.300 4.639 4.340 -0.001 0.000 0.243 102 L C -0.366 176.571 176.870 0.111 0.000 1.185 102 L CA 0.052 54.963 54.840 0.119 0.000 0.988 102 L CB 0.356 42.464 42.059 0.082 0.000 1.292 102 L HN 0.083 nan 8.230 nan 0.000 0.519 103 I N 0.771 121.402 120.570 0.102 0.000 2.330 103 I HA 0.173 4.343 4.170 -0.001 0.000 0.286 103 I C 0.276 176.420 176.117 0.044 0.000 1.025 103 I CA -0.205 61.145 61.300 0.083 0.000 1.197 103 I CB 1.620 39.665 38.000 0.075 0.000 1.358 103 I HN 0.147 nan 8.210 nan 0.000 0.467 104 E N 5.684 125.914 120.200 0.050 0.000 2.259 104 E HA 0.480 4.830 4.350 -0.001 0.000 0.281 104 E C -0.289 176.356 176.600 0.075 0.000 1.027 104 E CA -0.702 55.736 56.400 0.063 0.000 0.838 104 E CB 1.270 31.010 29.700 0.067 0.000 1.066 104 E HN 0.708 nan 8.360 nan 0.000 0.401 105 A N 4.437 127.311 122.820 0.091 0.000 2.451 105 A HA 0.051 4.370 4.320 -0.001 0.000 0.266 105 A C 0.394 178.108 177.584 0.216 0.000 1.119 105 A CA 0.216 52.309 52.037 0.094 0.000 0.786 105 A CB 0.726 19.704 19.000 -0.037 0.000 1.061 105 A HN 0.934 nan 8.150 nan 0.000 0.503 106 Q N 1.592 121.478 119.800 0.144 0.000 2.303 106 Q HA 0.253 4.593 4.340 -0.001 0.000 0.175 106 Q C 0.760 176.825 176.000 0.108 0.000 0.643 106 Q CA 0.025 55.913 55.803 0.142 0.000 0.871 106 Q CB 0.173 28.967 28.738 0.094 0.000 1.206 106 Q HN 0.734 nan 8.270 nan 0.000 0.424 107 L N -0.530 120.736 121.223 0.072 0.000 2.547 107 L HA 0.544 4.883 4.340 -0.001 0.000 0.218 107 L C 0.780 177.676 176.870 0.043 0.000 1.048 107 L CA 0.477 55.351 54.840 0.056 0.000 0.859 107 L CB 1.591 43.675 42.059 0.043 0.000 1.128 107 L HN 0.343 nan 8.230 nan 0.000 0.483 108 G N -1.489 107.330 108.800 0.033 0.000 2.368 108 G HA2 0.246 4.205 3.960 -0.001 0.000 0.302 108 G HA3 0.246 4.205 3.960 -0.001 0.000 0.302 108 G C 0.236 175.142 174.900 0.009 0.000 1.329 108 G CA -0.490 44.618 45.100 0.014 0.000 0.935 108 G HN 0.080 nan 8.290 nan 0.000 0.590 109 G N 0.740 109.538 108.800 -0.002 0.000 2.935 109 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.222 109 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.222 109 G C 1.682 176.586 174.900 0.006 0.000 1.258 109 G CA 2.828 47.926 45.100 -0.003 0.000 0.772 109 G HN 1.509 nan 8.290 nan 0.000 0.765 110 E N 1.062 121.267 120.200 0.009 0.000 2.086 110 E HA -0.258 4.092 4.350 -0.001 0.000 0.200 110 E C 2.240 178.852 176.600 0.019 0.000 1.012 110 E CA 1.979 58.387 56.400 0.013 0.000 0.812 110 E CB -0.612 29.096 29.700 0.013 0.000 0.743 110 E HN 0.633 nan 8.360 nan 0.000 0.453 111 K N 0.506 120.918 120.400 0.021 0.000 2.031 111 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 111 K C 2.007 178.626 176.600 0.030 0.000 1.049 111 K CA 1.309 57.611 56.287 0.025 0.000 0.939 111 K CB -0.032 32.483 32.500 0.026 0.000 0.717 111 K HN 0.068 nan 8.250 nan 0.000 0.438 112 D N 1.034 121.452 120.400 0.030 0.000 2.178 112 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 112 D C 1.798 178.123 176.300 0.042 0.000 0.980 112 D CA 0.785 54.807 54.000 0.037 0.000 0.842 112 D CB -0.043 40.777 40.800 0.033 0.000 0.948 112 D HN 0.019 nan 8.370 nan 0.000 0.472 113 L N 0.833 122.078 121.223 0.036 0.000 2.068 113 L HA -0.003 4.337 4.340 -0.001 0.000 0.204 113 L C 2.235 179.138 176.870 0.056 0.000 1.076 113 L CA 1.403 56.270 54.840 0.044 0.000 0.753 113 L CB -0.397 41.677 42.059 0.024 0.000 0.910 113 L HN -0.183 nan 8.230 nan 0.000 0.439 114 R N -0.442 120.085 120.500 0.044 0.000 2.091 114 R HA -0.225 4.114 4.340 -0.001 0.000 0.238 114 R C 2.532 178.866 176.300 0.057 0.000 1.136 114 R CA 1.879 58.007 56.100 0.047 0.000 0.959 114 R CB -0.255 30.066 30.300 0.034 0.000 0.856 114 R HN 0.367 nan 8.270 nan 0.000 0.437 115 R N -0.033 120.497 120.500 0.050 0.000 2.073 115 R HA -0.110 4.230 4.340 -0.001 0.000 0.234 115 R C 2.159 178.497 176.300 0.062 0.000 1.134 115 R CA 1.524 57.652 56.100 0.046 0.000 0.952 115 R CB -0.337 29.985 30.300 0.035 0.000 0.850 115 R HN 0.275 nan 8.270 nan 0.000 0.433 116 A N 1.376 124.248 122.820 0.088 0.000 1.892 116 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 116 A C 2.039 179.750 177.584 0.211 0.000 1.188 116 A CA 1.943 54.061 52.037 0.135 0.000 0.631 116 A CB -0.451 18.667 19.000 0.195 0.000 0.822 116 A HN 0.388 nan 8.150 nan 0.000 0.447 117 K N -0.648 119.904 120.400 0.254 0.000 2.097 117 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 117 K C 1.595 178.301 176.600 0.178 0.000 1.049 117 K CA 1.442 57.916 56.287 0.312 0.000 0.933 117 K CB -0.230 32.380 32.500 0.183 0.000 0.717 117 K HN 0.446 nan 8.250 nan 0.000 0.442 118 D N 0.920 121.380 120.400 0.100 0.000 2.084 118 D HA -0.128 4.511 4.640 -0.001 0.000 0.196 118 D C 1.865 178.180 176.300 0.024 0.000 0.985 118 D CA 0.934 54.967 54.000 0.056 0.000 0.826 118 D CB -0.165 40.657 40.800 0.038 0.000 0.978 118 D HN 0.016 nan 8.370 nan 0.000 0.456 119 I N 1.224 121.798 120.570 0.007 0.000 2.264 119 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 119 I C 1.250 177.309 176.117 -0.096 0.000 1.111 119 I CA 1.197 62.473 61.300 -0.039 0.000 1.382 119 I CB -0.805 37.173 38.000 -0.038 0.000 1.060 119 I HN 0.040 nan 8.210 nan 0.000 0.418 120 N N 0.341 118.951 118.700 -0.150 0.000 2.214 120 N HA -0.028 4.712 4.740 -0.001 0.000 0.214 120 N C 1.581 176.896 175.510 -0.324 0.000 1.132 120 N CA -0.027 52.802 53.050 -0.368 0.000 0.856 120 N CB 0.444 38.436 38.487 -0.825 0.000 1.020 120 N HN 0.357 nan 8.380 nan 0.000 0.509 121 Q N 1.720 121.486 119.800 -0.058 0.000 2.217 121 Q HA -0.192 4.147 4.340 -0.001 0.000 0.209 121 Q C 1.720 177.753 176.000 0.055 0.000 0.988 121 Q CA 1.633 57.482 55.803 0.077 0.000 0.878 121 Q CB 0.035 28.819 28.738 0.076 0.000 0.909 121 Q HN 0.395 nan 8.270 nan 0.000 0.424 122 E N -1.224 118.974 120.200 -0.004 0.000 2.047 122 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 122 E C 1.825 178.465 176.600 0.067 0.000 0.987 122 E CA 1.446 57.860 56.400 0.023 0.000 0.799 122 E CB 0.075 29.768 29.700 -0.012 0.000 0.752 122 E HN 0.329 nan 8.360 nan 0.000 0.449 123 V N 0.587 120.506 119.914 0.009 0.000 2.379 123 V HA -0.228 3.892 4.120 -0.001 0.000 0.245 123 V C 2.092 178.335 176.094 0.248 0.000 1.044 123 V CA 1.494 63.850 62.300 0.093 0.000 1.036 123 V CB -0.605 31.194 31.823 -0.041 0.000 0.664 123 V HN 0.328 nan 8.190 nan 0.000 0.453 124 Y N 0.520 120.924 120.300 0.174 0.000 2.165 124 Y HA -0.202 4.347 4.550 -0.001 0.000 0.286 124 Y C 2.577 178.549 175.900 0.122 0.000 1.155 124 Y CA 1.176 59.406 58.100 0.217 0.000 1.164 124 Y CB -1.084 37.496 38.460 0.200 0.000 0.978 124 Y HN 0.303 nan 8.280 nan 0.000 0.513 125 N N -0.461 118.392 118.700 0.255 0.000 2.106 125 N HA -0.209 4.531 4.740 -0.001 0.000 0.188 125 N C 1.993 177.541 175.510 0.063 0.000 1.029 125 N CA 1.058 54.169 53.050 0.100 0.000 0.848 125 N CB -0.414 38.135 38.487 0.104 0.000 1.007 125 N HN 0.272 nan 8.380 nan 0.000 0.423 126 F N 2.338 122.286 119.950 -0.003 0.000 2.091 126 F HA -0.169 4.358 4.527 -0.001 0.000 0.299 126 F C 2.154 177.924 175.800 -0.050 0.000 1.103 126 F CA 1.339 59.333 58.000 -0.011 0.000 1.228 126 F CB -0.580 38.437 39.000 0.028 0.000 0.984 126 F HN -0.006 nan 8.300 nan 0.000 0.477 127 L N -0.204 120.956 121.223 -0.106 0.000 2.046 127 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 127 L C 2.804 179.291 176.870 -0.639 0.000 1.077 127 L CA 1.184 55.866 54.840 -0.264 0.000 0.747 127 L CB -1.365 40.784 42.059 0.150 0.000 0.896 127 L HN 0.283 nan 8.230 nan 0.000 0.432 128 A N 0.357 122.601 122.820 -0.960 0.000 1.873 128 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 128 A C 2.442 179.626 177.584 -0.666 0.000 1.186 128 A CA 2.184 53.368 52.037 -1.421 0.000 0.616 128 A CB -0.898 17.454 19.000 -1.079 0.000 0.823 128 A HN 0.507 nan 8.150 nan 0.000 0.442 129 T N -2.775 111.530 114.554 -0.415 0.000 2.985 129 T HA 0.262 4.611 4.350 -0.001 0.000 0.266 129 T C 1.863 176.385 174.700 -0.296 0.000 1.076 129 T CA 1.248 63.177 62.100 -0.284 0.000 1.135 129 T CB -0.310 68.456 68.868 -0.170 0.000 0.890 129 T HN 0.482 nan 8.240 nan 0.000 0.480 130 A N 1.647 124.245 122.820 -0.370 0.000 1.969 130 A HA 0.323 4.642 4.320 -0.001 0.000 0.218 130 A C 2.593 180.075 177.584 -0.170 0.000 1.169 130 A CA 1.401 53.265 52.037 -0.288 0.000 0.635 130 A CB -1.495 17.208 19.000 -0.496 0.000 0.810 130 A HN 0.588 nan 8.150 nan 0.000 0.445 131 G N -0.248 108.397 108.800 -0.257 0.000 2.433 131 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.216 131 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.216 131 G C 1.795 176.598 174.900 -0.162 0.000 1.186 131 G CA 1.457 46.445 45.100 -0.186 0.000 0.779 131 G HN 0.766 nan 8.290 nan 0.000 0.543 132 A N 0.669 123.360 122.820 -0.215 0.000 1.908 132 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 132 A C 2.225 179.706 177.584 -0.172 0.000 1.181 132 A CA 2.285 54.219 52.037 -0.171 0.000 0.627 132 A CB -0.458 18.437 19.000 -0.175 0.000 0.818 132 A HN 0.433 nan 8.150 nan 0.000 0.445 133 K N -1.699 118.555 120.400 -0.244 0.000 2.001 133 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 133 K C 1.333 177.706 176.600 -0.378 0.000 1.048 133 K CA 1.741 57.809 56.287 -0.365 0.000 0.932 133 K CB -0.277 31.883 32.500 -0.567 0.000 0.715 133 K HN 0.580 nan 8.250 nan 0.000 0.437 134 Y N -0.666 119.608 120.300 -0.043 0.000 2.457 134 Y HA 0.219 4.769 4.550 -0.001 0.000 0.263 134 Y C 0.856 176.730 175.900 -0.043 0.000 1.164 134 Y CA 0.074 58.174 58.100 -0.001 0.000 1.274 134 Y CB 1.343 39.824 38.460 0.034 0.000 1.097 134 Y HN 0.395 nan 8.280 nan 0.000 0.523 135 G N 0.743 109.573 108.800 0.050 0.000 2.165 135 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.226 135 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.226 135 G C -0.546 174.361 174.900 0.012 0.000 1.035 135 G CA -0.047 45.067 45.100 0.024 0.000 0.744 135 G HN 0.093 nan 8.290 nan 0.000 0.501 136 V N 0.347 120.253 119.914 -0.014 0.000 2.472 136 V HA 0.775 4.894 4.120 -0.001 0.000 0.290 136 V C 1.317 177.405 176.094 -0.010 0.000 1.037 136 V CA -0.102 62.184 62.300 -0.023 0.000 0.908 136 V CB 1.673 33.462 31.823 -0.057 0.000 0.985 136 V HN 0.782 nan 8.190 nan 0.000 0.454 137 G N 2.546 111.368 108.800 0.036 0.000 2.483 137 G HA2 0.378 4.338 3.960 -0.001 0.000 0.248 137 G HA3 0.378 4.338 3.960 -0.001 0.000 0.248 137 G C -1.113 173.754 174.900 -0.054 0.000 1.248 137 G CA 0.041 45.154 45.100 0.021 0.000 0.838 137 G HN 0.501 nan 8.290 nan 0.000 0.566 138 F N 1.706 121.316 119.950 -0.567 0.000 2.460 138 F HA 0.578 5.105 4.527 -0.001 0.000 0.341 138 F C -1.332 174.178 175.800 -0.482 0.000 1.130 138 F CA -2.128 55.628 58.000 -0.406 0.000 0.962 138 F CB 1.233 40.022 39.000 -0.352 0.000 1.171 138 F HN 0.446 nan 8.300 nan 0.000 0.436 139 W N 6.697 127.575 121.300 -0.704 0.000 2.316 139 W HA 0.532 5.191 4.660 -0.000 0.000 0.308 139 W C 0.282 176.292 176.519 -0.849 0.000 1.106 139 W CA -0.686 56.331 57.345 -0.548 0.000 1.262 139 W CB 0.877 30.123 29.460 -0.356 0.000 1.233 139 W HN 0.443 nan 8.180 nan 0.000 0.447 140 R N 5.632 125.831 120.500 -0.500 0.000 2.623 140 R HA 0.127 4.467 4.340 -0.001 0.000 0.271 140 R C -1.972 174.121 176.300 -0.345 0.000 1.043 140 R CA -1.076 54.721 56.100 -0.505 0.000 1.083 140 R CB 0.258 30.410 30.300 -0.246 0.000 0.974 140 R HN 0.125 nan 8.270 nan 0.000 0.436 141 P HA 0.002 nan 4.420 nan 0.000 0.265 141 P C 0.104 177.306 177.300 -0.163 0.000 1.193 141 P CA 0.911 63.806 63.100 -0.342 0.000 0.765 141 P CB 0.872 32.183 31.700 -0.648 0.000 0.823 142 G N 2.625 111.370 108.800 -0.091 0.000 2.194 142 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.236 142 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.236 142 G C 1.106 175.997 174.900 -0.016 0.000 0.987 142 G CA 0.439 45.514 45.100 -0.042 0.000 0.635 142 G HN 0.606 nan 8.290 nan 0.000 0.520 143 S N -0.264 115.436 115.700 -0.000 0.000 2.428 143 S HA 0.510 4.979 4.470 -0.001 0.000 0.230 143 S C 1.471 176.091 174.600 0.032 0.000 1.014 143 S CA 1.427 59.676 58.200 0.082 0.000 0.957 143 S CB 0.483 63.835 63.200 0.254 0.000 0.784 143 S HN 2.412 nan 8.310 nan 0.000 0.499 144 G N 0.017 108.799 108.800 -0.029 0.000 2.356 144 G HA2 0.327 4.286 3.960 -0.001 0.000 0.300 144 G HA3 0.327 4.286 3.960 -0.001 0.000 0.300 144 G C -1.676 173.156 174.900 -0.114 0.000 1.331 144 G CA -0.962 44.086 45.100 -0.087 0.000 0.905 144 G HN 0.274 nan 8.290 nan 0.000 0.587 145 I N 1.415 121.893 120.570 -0.153 0.000 2.331 145 I HA 0.304 4.474 4.170 -0.001 0.000 0.292 145 I C 1.987 177.909 176.117 -0.323 0.000 0.998 145 I CA -0.588 60.603 61.300 -0.182 0.000 1.267 145 I CB 1.684 39.591 38.000 -0.155 0.000 1.386 145 I HN 0.684 nan 8.210 nan 0.000 0.476 146 I N 5.675 125.970 120.570 -0.458 0.000 2.147 146 I HA -0.415 3.754 4.170 -0.001 0.000 0.245 146 I C 2.143 177.788 176.117 -0.786 0.000 1.059 146 I CA 2.050 62.846 61.300 -0.839 0.000 1.320 146 I CB -0.063 37.469 38.000 -0.781 0.000 1.021 146 I HN 0.698 nan 8.210 nan 0.000 0.415 147 H N -0.314 118.616 119.070 -0.234 0.000 2.470 147 H HA -0.115 4.440 4.556 -0.001 0.000 0.289 147 H C 2.054 177.288 175.328 -0.158 0.000 1.033 147 H CA 1.490 57.436 56.048 -0.170 0.000 1.331 147 H CB -0.202 29.505 29.762 -0.092 0.000 1.414 147 H HN 0.571 nan 8.280 nan 0.000 0.545 148 Q N 0.619 120.337 119.800 -0.137 0.000 2.089 148 Q HA 0.011 4.350 4.340 -0.001 0.000 0.195 148 Q C 2.314 178.206 176.000 -0.180 0.000 0.963 148 Q CA 0.583 56.316 55.803 -0.117 0.000 0.834 148 Q CB 0.089 28.761 28.738 -0.110 0.000 0.906 148 Q HN 0.300 nan 8.270 nan 0.000 0.452 149 I N 0.434 120.819 120.570 -0.310 0.000 2.264 149 I HA -0.298 3.872 4.170 -0.001 0.000 0.248 149 I C 1.999 177.983 176.117 -0.222 0.000 1.111 149 I CA 1.017 62.071 61.300 -0.411 0.000 1.382 149 I CB -0.151 37.410 38.000 -0.731 0.000 1.060 149 I HN 0.317 nan 8.210 nan 0.000 0.418 150 I N -0.125 120.338 120.570 -0.179 0.000 2.202 150 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 150 I C 2.455 178.608 176.117 0.060 0.000 1.091 150 I CA 1.272 62.586 61.300 0.022 0.000 1.368 150 I CB -0.170 37.776 38.000 -0.090 0.000 1.058 150 I HN 0.208 nan 8.210 nan 0.000 0.410 151 L N 0.665 121.901 121.223 0.021 0.000 2.093 151 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 151 L C 2.267 179.241 176.870 0.173 0.000 1.085 151 L CA 1.855 56.743 54.840 0.079 0.000 0.755 151 L CB -0.396 41.679 42.059 0.026 0.000 0.904 151 L HN 0.177 nan 8.230 nan 0.000 0.435 152 E N -1.107 119.136 120.200 0.071 0.000 2.285 152 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 152 E C 1.213 177.781 176.600 -0.053 0.000 0.997 152 E CA 0.933 57.331 56.400 -0.003 0.000 0.845 152 E CB 0.112 29.727 29.700 -0.140 0.000 0.782 152 E HN 0.650 nan 8.360 nan 0.000 0.491 153 N N -1.187 117.466 118.700 -0.080 0.000 2.486 153 N HA 0.033 4.773 4.740 -0.001 0.000 0.242 153 N C 0.880 176.257 175.510 -0.222 0.000 1.083 153 N CA 0.344 53.273 53.050 -0.201 0.000 0.844 153 N CB 0.373 38.550 38.487 -0.517 0.000 1.527 153 N HN 0.099 nan 8.380 nan 0.000 0.462 154 Y N 1.404 121.767 120.300 0.106 0.000 2.462 154 Y HA 0.477 5.026 4.550 -0.001 0.000 0.253 154 Y C 0.980 176.951 175.900 0.118 0.000 1.095 154 Y CA -0.481 57.696 58.100 0.127 0.000 1.283 154 Y CB 0.444 38.939 38.460 0.059 0.000 1.138 154 Y HN -0.062 nan 8.280 nan 0.000 0.522 155 A N 0.765 123.705 122.820 0.200 0.000 2.327 155 A HA 0.606 4.926 4.320 -0.001 0.000 0.283 155 A C -0.995 176.711 177.584 0.203 0.000 1.127 155 A CA -0.217 51.878 52.037 0.097 0.000 0.810 155 A CB -0.202 18.838 19.000 0.068 0.000 1.066 155 A HN 0.363 nan 8.150 nan 0.000 0.492 156 Y N -1.142 119.234 120.300 0.127 0.000 2.609 156 Y HA 0.681 5.231 4.550 -0.001 0.000 0.336 156 Y C -3.352 172.641 175.900 0.154 0.000 1.129 156 Y CA -3.362 54.820 58.100 0.137 0.000 1.040 156 Y CB 0.368 38.893 38.460 0.108 0.000 1.310 156 Y HN 0.384 nan 8.280 nan 0.000 0.460 157 P HA 0.252 nan 4.420 nan 0.000 0.263 157 P C 0.711 178.222 177.300 0.352 0.000 1.195 157 P CA 2.341 65.594 63.100 0.254 0.000 0.762 157 P CB 0.711 32.474 31.700 0.104 0.000 0.799 158 G N 1.677 110.610 108.800 0.220 0.000 2.194 158 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.236 158 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.236 158 G C 0.212 175.264 174.900 0.253 0.000 0.987 158 G CA -0.106 45.172 45.100 0.297 0.000 0.635 158 G HN 0.641 nan 8.290 nan 0.000 0.520 159 V N 0.961 120.794 119.914 -0.135 0.000 2.811 159 V HA 0.652 4.771 4.120 -0.001 0.000 0.302 159 V C 0.412 176.400 176.094 -0.177 0.000 1.063 159 V CA 0.125 62.218 62.300 -0.345 0.000 1.088 159 V CB 1.496 32.763 31.823 -0.927 0.000 0.982 159 V HN 0.851 nan 8.190 nan 0.000 0.485 160 L N 7.469 128.525 121.223 -0.278 0.000 2.316 160 L HA 0.617 4.956 4.340 -0.001 0.000 0.280 160 L C -0.883 175.823 176.870 -0.273 0.000 1.006 160 L CA 0.168 54.783 54.840 -0.375 0.000 0.836 160 L CB 1.191 42.765 42.059 -0.808 0.000 1.221 160 L HN 0.701 nan 8.230 nan 0.000 0.418 161 L N 6.316 127.408 121.223 -0.220 0.000 2.346 161 L HA 0.735 5.075 4.340 -0.001 0.000 0.274 161 L C -0.884 175.837 176.870 -0.248 0.000 1.007 161 L CA -0.692 54.025 54.840 -0.206 0.000 0.818 161 L CB 1.703 43.668 42.059 -0.157 0.000 1.284 161 L HN 0.738 nan 8.230 nan 0.000 0.424 162 I N 1.372 121.758 120.570 -0.306 0.000 2.474 162 I HA 0.912 5.081 4.170 -0.001 0.000 0.294 162 I C -0.119 175.867 176.117 -0.218 0.000 1.005 162 I CA -0.508 60.584 61.300 -0.347 0.000 1.113 162 I CB 1.828 39.446 38.000 -0.638 0.000 1.289 162 I HN 0.587 nan 8.210 nan 0.000 0.436 163 G N 2.082 110.797 108.800 -0.142 0.000 2.563 163 G HA2 0.539 4.499 3.960 -0.001 0.000 0.302 163 G HA3 0.539 4.499 3.960 -0.001 0.000 0.302 163 G C -0.377 174.495 174.900 -0.047 0.000 1.301 163 G CA -0.685 44.366 45.100 -0.082 0.000 0.965 163 G HN 0.766 nan 8.290 nan 0.000 0.480 164 T N -1.136 113.398 114.554 -0.034 0.000 3.766 164 T HA 0.492 4.841 4.350 -0.001 0.000 0.327 164 T C -0.536 174.168 174.700 0.007 0.000 1.595 164 T CA -0.446 61.648 62.100 -0.009 0.000 1.204 164 T CB -0.064 68.799 68.868 -0.009 0.000 1.245 164 T HN 0.486 nan 8.240 nan 0.000 0.875 165 D N -0.076 120.347 120.400 0.039 0.000 2.747 165 D HA 0.284 4.924 4.640 -0.001 0.000 0.218 165 D C 0.670 176.995 176.300 0.042 0.000 1.230 165 D CA -0.540 53.515 54.000 0.091 0.000 0.774 165 D CB 1.209 42.151 40.800 0.237 0.000 1.667 165 D HN 0.021 nan 8.370 nan 0.000 0.499 166 S N 0.654 116.347 115.700 -0.013 0.000 2.419 166 S HA -0.139 4.330 4.470 -0.001 0.000 0.233 166 S C 1.000 175.365 174.600 -0.392 0.000 1.016 166 S CA 1.001 59.088 58.200 -0.189 0.000 0.974 166 S CB -0.259 62.778 63.200 -0.271 0.000 0.786 166 S HN 0.525 nan 8.310 nan 0.000 0.492 167 H N 0.231 119.199 119.070 -0.170 0.000 2.529 167 H HA 0.222 4.777 4.556 -0.001 0.000 0.277 167 H C 1.721 176.574 175.328 -0.791 0.000 1.004 167 H CA 0.335 56.128 56.048 -0.424 0.000 1.167 167 H CB -0.013 29.511 29.762 -0.396 0.000 1.445 167 H HN 0.166 nan 8.280 nan 0.000 0.554 168 T N 1.156 115.476 114.554 -0.391 0.000 2.822 168 T HA -0.122 4.228 4.350 -0.001 0.000 0.270 168 T C -0.703 173.936 174.700 -0.102 0.000 1.064 168 T CA 0.935 62.964 62.100 -0.119 0.000 1.131 168 T CB -0.901 67.969 68.868 0.003 0.000 0.858 168 T HN 0.357 nan 8.240 nan 0.000 0.483 169 P HA -0.076 nan 4.420 nan 0.000 0.224 169 P C 1.113 178.395 177.300 -0.029 0.000 1.142 169 P CA 0.712 63.787 63.100 -0.041 0.000 0.778 169 P CB -0.245 31.442 31.700 -0.023 0.000 0.764 170 N N -0.039 118.616 118.700 -0.075 0.000 2.091 170 N HA -0.182 4.557 4.740 -0.001 0.000 0.193 170 N C 1.930 177.431 175.510 -0.015 0.000 1.021 170 N CA 1.969 54.991 53.050 -0.047 0.000 0.862 170 N CB -1.100 37.352 38.487 -0.058 0.000 1.018 170 N HN 0.060 nan 8.380 nan 0.000 0.429 171 G N -0.924 107.875 108.800 -0.002 0.000 2.485 171 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.221 171 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.221 171 G C 1.456 176.365 174.900 0.016 0.000 1.115 171 G CA 0.919 46.021 45.100 0.004 0.000 0.751 171 G HN 0.482 nan 8.290 nan 0.000 0.567 172 G N 0.673 109.495 108.800 0.037 0.000 2.501 172 G HA2 0.056 4.016 3.960 -0.001 0.000 0.220 172 G HA3 0.056 4.016 3.960 -0.001 0.000 0.220 172 G C 1.617 176.589 174.900 0.119 0.000 1.114 172 G CA 1.137 46.291 45.100 0.090 0.000 0.757 172 G HN 0.574 nan 8.290 nan 0.000 0.559 173 G N 0.138 108.958 108.800 0.033 0.000 2.471 173 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.219 173 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.219 173 G C 1.217 176.076 174.900 -0.070 0.000 1.125 173 G CA 0.073 45.126 45.100 -0.080 0.000 0.775 173 G HN 0.446 nan 8.290 nan 0.000 0.548 174 L N 0.492 121.723 121.223 0.013 0.000 2.928 174 L HA 0.311 4.650 4.340 -0.001 0.000 0.246 174 L C 1.661 178.622 176.870 0.151 0.000 1.239 174 L CA 0.220 55.111 54.840 0.085 0.000 1.035 174 L CB 0.193 42.318 42.059 0.110 0.000 1.360 174 L HN 0.317 nan 8.230 nan 0.000 0.529 175 G N -0.151 108.744 108.800 0.158 0.000 2.155 175 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.257 175 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.257 175 G C 0.533 175.510 174.900 0.129 0.000 0.983 175 G CA 0.147 45.358 45.100 0.185 0.000 0.676 175 G HN 0.556 nan 8.290 nan 0.000 0.528 176 G N -0.958 107.886 108.800 0.073 0.000 2.462 176 G HA2 0.599 4.558 3.960 -0.001 0.000 0.319 176 G HA3 0.599 4.558 3.960 -0.001 0.000 0.319 176 G C -0.173 174.735 174.900 0.013 0.000 1.171 176 G CA -0.852 44.252 45.100 0.008 0.000 0.920 176 G HN 0.291 nan 8.290 nan 0.000 0.499 177 I N 0.930 121.491 120.570 -0.015 0.000 2.307 177 I HA 0.231 4.400 4.170 -0.001 0.000 0.287 177 I C -0.415 175.674 176.117 -0.045 0.000 1.054 177 I CA -0.706 60.589 61.300 -0.008 0.000 1.218 177 I CB 0.424 38.424 38.000 0.001 0.000 1.398 177 I HN 0.176 nan 8.210 nan 0.000 0.475 178 C N 7.735 127.017 119.300 -0.030 0.000 2.264 178 C HA 0.581 5.041 4.460 -0.001 0.000 0.322 178 C C 0.527 175.497 174.990 -0.033 0.000 1.210 178 C CA -0.786 58.199 59.018 -0.054 0.000 1.539 178 C CB -0.159 27.556 27.740 -0.042 0.000 2.167 178 C HN 0.503 nan 8.230 nan 0.000 0.463 179 I N 2.265 122.808 120.570 -0.044 0.000 2.493 179 I HA 0.569 4.739 4.170 -0.001 0.000 0.298 179 I C 0.880 176.987 176.117 -0.016 0.000 0.998 179 I CA 0.032 61.342 61.300 0.016 0.000 1.137 179 I CB 1.645 39.732 38.000 0.146 0.000 1.310 179 I HN 0.761 nan 8.210 nan 0.000 0.445 180 G N 4.511 113.317 108.800 0.011 0.000 2.395 180 G HA2 0.609 4.568 3.960 -0.001 0.000 0.283 180 G HA3 0.609 4.568 3.960 -0.001 0.000 0.283 180 G C -0.590 174.343 174.900 0.055 0.000 1.178 180 G CA -0.286 44.816 45.100 0.005 0.000 0.837 180 G HN 0.548 nan 8.290 nan 0.000 0.518 181 V N -0.545 119.393 119.914 0.041 0.000 3.181 181 V HA 0.963 5.082 4.120 -0.001 0.000 0.308 181 V C 0.561 176.691 176.094 0.060 0.000 1.214 181 V CA -0.600 61.752 62.300 0.086 0.000 1.053 181 V CB 1.263 33.134 31.823 0.080 0.000 1.069 181 V HN 1.086 nan 8.190 nan 0.000 0.441 182 G N -0.242 108.604 108.800 0.076 0.000 2.528 182 G HA2 0.494 4.454 3.960 -0.001 0.000 0.289 182 G HA3 0.494 4.454 3.960 -0.001 0.000 0.289 182 G C 0.944 175.862 174.900 0.031 0.000 1.192 182 G CA -0.078 45.057 45.100 0.060 0.000 0.921 182 G HN 1.491 nan 8.290 nan 0.000 0.512 183 G N 0.081 108.894 108.800 0.023 0.000 2.422 183 G HA2 0.015 3.974 3.960 -0.001 0.000 0.218 183 G HA3 0.015 3.974 3.960 -0.001 0.000 0.218 183 G C 1.921 176.814 174.900 -0.012 0.000 1.146 183 G CA 1.620 46.723 45.100 0.006 0.000 0.769 183 G HN 0.962 nan 8.290 nan 0.000 0.547 184 A N 0.685 123.488 122.820 -0.028 0.000 2.070 184 A HA -0.012 4.307 4.320 -0.001 0.000 0.220 184 A C 2.016 179.576 177.584 -0.039 0.000 1.159 184 A CA 2.077 54.078 52.037 -0.061 0.000 0.656 184 A CB -0.271 18.654 19.000 -0.125 0.000 0.800 184 A HN 0.300 nan 8.150 nan 0.000 0.453 185 D N -0.193 120.218 120.400 0.019 0.000 2.137 185 D HA 0.086 4.726 4.640 -0.001 0.000 0.202 185 D C 2.283 178.585 176.300 0.003 0.000 0.970 185 D CA 1.322 55.388 54.000 0.111 0.000 0.837 185 D CB -0.312 40.632 40.800 0.241 0.000 0.981 185 D HN 0.374 nan 8.370 nan 0.000 0.475 186 A N 0.621 123.409 122.820 -0.054 0.000 1.908 186 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 186 A C 2.329 179.873 177.584 -0.068 0.000 1.181 186 A CA 1.950 53.926 52.037 -0.103 0.000 0.627 186 A CB -1.013 17.932 19.000 -0.090 0.000 0.818 186 A HN 0.262 nan 8.150 nan 0.000 0.445 187 V N -1.882 118.023 119.914 -0.014 0.000 3.078 187 V HA -0.135 3.984 4.120 -0.001 0.000 0.265 187 V C 1.395 177.532 176.094 0.071 0.000 1.122 187 V CA 2.364 64.697 62.300 0.056 0.000 1.141 187 V CB -0.699 31.207 31.823 0.139 0.000 0.735 187 V HN 0.391 nan 8.190 nan 0.000 0.498 188 D N 0.872 121.303 120.400 0.052 0.000 2.120 188 D HA -0.048 4.591 4.640 -0.001 0.000 0.202 188 D C 2.280 178.632 176.300 0.086 0.000 0.972 188 D CA 1.749 55.803 54.000 0.091 0.000 0.837 188 D CB -0.145 40.750 40.800 0.159 0.000 0.989 188 D HN 0.469 nan 8.370 nan 0.000 0.469 189 V N 1.089 121.026 119.914 0.039 0.000 2.343 189 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 189 V C 2.515 178.603 176.094 -0.011 0.000 1.051 189 V CA 1.335 63.638 62.300 0.005 0.000 1.036 189 V CB -0.412 31.350 31.823 -0.102 0.000 0.654 189 V HN 0.143 nan 8.190 nan 0.000 0.451 190 M N 0.026 119.594 119.600 -0.053 0.000 2.159 190 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 190 M C 2.018 178.329 176.300 0.017 0.000 1.063 190 M CA 1.944 57.176 55.300 -0.113 0.000 1.110 190 M CB -0.237 32.207 32.600 -0.259 0.000 1.374 190 M HN 0.345 nan 8.290 nan 0.000 0.411 191 A N -0.918 121.988 122.820 0.143 0.000 2.119 191 A HA 0.269 4.588 4.320 -0.001 0.000 0.216 191 A C 1.655 179.310 177.584 0.119 0.000 1.152 191 A CA 1.029 53.186 52.037 0.200 0.000 0.708 191 A CB -0.689 18.407 19.000 0.159 0.000 0.805 191 A HN 0.741 nan 8.150 nan 0.000 0.460 192 G N -0.824 108.031 108.800 0.092 0.000 2.148 192 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.203 192 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.203 192 G C 0.194 175.148 174.900 0.089 0.000 0.993 192 G CA 0.037 45.186 45.100 0.082 0.000 0.661 192 G HN 1.287 nan 8.290 nan 0.000 0.518 193 I N -1.464 119.167 120.570 0.101 0.000 2.577 193 I HA 0.780 4.950 4.170 -0.001 0.000 0.305 193 I C -2.256 173.947 176.117 0.143 0.000 0.986 193 I CA -3.006 58.361 61.300 0.111 0.000 1.189 193 I CB 1.518 39.585 38.000 0.111 0.000 1.355 193 I HN -0.144 nan 8.210 nan 0.000 0.476 194 P HA -0.022 nan 4.420 nan 0.000 0.267 194 P C -1.572 175.877 177.300 0.247 0.000 1.200 194 P CA 0.260 63.467 63.100 0.178 0.000 0.772 194 P CB 0.219 31.997 31.700 0.129 0.000 0.855 195 W N 3.218 124.566 121.300 0.080 0.000 2.469 195 W HA 0.326 4.986 4.660 -0.001 0.000 0.320 195 W C -0.558 176.025 176.519 0.106 0.000 1.086 195 W CA -0.500 56.897 57.345 0.088 0.000 1.211 195 W CB 0.912 30.408 29.460 0.061 0.000 1.298 195 W HN 0.347 nan 8.180 nan 0.000 0.525 196 E N 4.176 124.104 120.200 -0.453 0.000 2.242 196 E HA 0.528 4.878 4.350 -0.001 0.000 0.275 196 E C -1.579 174.577 176.600 -0.740 0.000 1.002 196 E CA -1.136 55.008 56.400 -0.427 0.000 0.841 196 E CB 1.941 31.530 29.700 -0.185 0.000 1.109 196 E HN 0.395 nan 8.360 nan 0.000 0.394 197 L N 2.612 123.576 121.223 -0.432 0.000 2.505 197 L HA 0.279 4.618 4.340 -0.001 0.000 0.266 197 L C -1.174 175.594 176.870 -0.170 0.000 0.954 197 L CA -0.847 53.765 54.840 -0.379 0.000 0.852 197 L CB 1.570 43.313 42.059 -0.527 0.000 1.282 197 L HN 0.250 nan 8.230 nan 0.000 0.403 198 K N 3.936 124.192 120.400 -0.240 0.000 2.472 198 K HA 0.071 4.390 4.320 -0.001 0.000 0.280 198 K C -0.331 176.133 176.600 -0.227 0.000 1.028 198 K CA 0.320 56.315 56.287 -0.486 0.000 1.045 198 K CB 0.084 32.293 32.500 -0.485 0.000 0.902 198 K HN 0.715 nan 8.250 nan 0.000 0.478 199 C N 8.481 127.672 119.300 -0.181 0.000 2.592 199 C HA 0.166 4.625 4.460 -0.001 0.000 0.408 199 C C -2.063 172.909 174.990 -0.029 0.000 1.436 199 C CA -1.507 57.489 59.018 -0.037 0.000 1.595 199 C CB -0.853 26.882 27.740 -0.007 0.000 2.487 199 C HN 0.721 nan 8.230 nan 0.000 0.610 200 P HA 0.275 nan 4.420 nan 0.000 0.272 200 P C -0.669 176.639 177.300 0.014 0.000 1.223 200 P CA -0.152 62.949 63.100 0.001 0.000 0.784 200 P CB 0.589 32.291 31.700 0.004 0.000 0.923 201 K N 0.778 121.179 120.400 0.003 0.000 2.098 201 K HA 0.506 4.826 4.320 -0.001 0.000 0.244 201 K C -0.789 175.807 176.600 -0.006 0.000 1.014 201 K CA -0.484 55.806 56.287 0.006 0.000 0.917 201 K CB 0.497 32.997 32.500 -0.001 0.000 1.072 201 K HN 0.127 nan 8.250 nan 0.000 0.477 202 V N 2.732 122.641 119.914 -0.008 0.000 2.443 202 V HA 0.416 4.536 4.120 -0.001 0.000 0.293 202 V C -0.358 175.705 176.094 -0.051 0.000 1.021 202 V CA -0.775 61.520 62.300 -0.009 0.000 0.848 202 V CB 1.222 33.089 31.823 0.074 0.000 0.998 202 V HN 0.544 nan 8.190 nan 0.000 0.424 203 I N 3.708 124.198 120.570 -0.133 0.000 2.365 203 I HA 0.604 4.774 4.170 -0.001 0.000 0.291 203 I C 0.936 176.810 176.117 -0.405 0.000 1.004 203 I CA 0.032 61.210 61.300 -0.203 0.000 1.311 203 I CB 1.493 39.386 38.000 -0.178 0.000 1.401 203 I HN 0.731 nan 8.210 nan 0.000 0.491 204 G N 5.458 113.931 108.800 -0.544 0.000 2.417 204 G HA2 0.571 4.531 3.960 -0.001 0.000 0.320 204 G HA3 0.571 4.531 3.960 -0.001 0.000 0.320 204 G C -1.002 173.647 174.900 -0.418 0.000 1.204 204 G CA -0.312 44.255 45.100 -0.888 0.000 0.923 204 G HN 0.351 nan 8.290 nan 0.000 0.466 205 V N 2.830 122.458 119.914 -0.476 0.000 2.378 205 V HA 0.383 4.502 4.120 -0.001 0.000 0.288 205 V C 0.172 175.943 176.094 -0.538 0.000 1.016 205 V CA -0.848 61.173 62.300 -0.465 0.000 0.840 205 V CB 1.415 32.822 31.823 -0.694 0.000 0.994 205 V HN 0.760 nan 8.190 nan 0.000 0.431 206 K N 5.807 125.890 120.400 -0.529 0.000 2.211 206 K HA 0.636 4.956 4.320 -0.001 0.000 0.275 206 K C -1.218 175.213 176.600 -0.282 0.000 1.024 206 K CA -0.575 55.300 56.287 -0.687 0.000 0.887 206 K CB 1.028 33.218 32.500 -0.517 0.000 1.084 206 K HN 0.593 nan 8.250 nan 0.000 0.463 207 L N 3.572 124.671 121.223 -0.207 0.000 2.296 207 L HA 0.409 4.748 4.340 -0.001 0.000 0.286 207 L C -0.402 176.448 176.870 -0.033 0.000 1.023 207 L CA -0.660 54.147 54.840 -0.054 0.000 0.812 207 L CB 2.025 44.107 42.059 0.039 0.000 1.223 207 L HN 0.721 nan 8.230 nan 0.000 0.421 208 T N 1.766 116.312 114.554 -0.013 0.000 2.916 208 T HA 0.746 5.096 4.350 -0.001 0.000 0.298 208 T C 0.022 174.729 174.700 0.013 0.000 1.031 208 T CA 0.184 62.283 62.100 -0.001 0.000 0.993 208 T CB 2.066 70.925 68.868 -0.013 0.000 1.045 208 T HN 1.029 nan 8.240 nan 0.000 0.454 209 G N 2.398 111.209 108.800 0.019 0.000 2.548 209 G HA2 0.107 4.067 3.960 -0.001 0.000 0.208 209 G HA3 0.107 4.067 3.960 -0.001 0.000 0.208 209 G C -0.853 174.062 174.900 0.025 0.000 1.308 209 G CA -0.451 44.661 45.100 0.021 0.000 0.924 209 G HN 0.977 nan 8.290 nan 0.000 0.540 210 S N -0.925 114.789 115.700 0.023 0.000 2.546 210 S HA 0.686 5.156 4.470 -0.001 0.000 0.274 210 S C -0.041 174.572 174.600 0.020 0.000 1.121 210 S CA -0.736 57.477 58.200 0.022 0.000 0.887 210 S CB 1.817 65.029 63.200 0.019 0.000 1.094 210 S HN 0.757 nan 8.310 nan 0.000 0.474 211 L N 2.058 123.290 121.223 0.015 0.000 2.439 211 L HA 0.463 4.802 4.340 -0.001 0.000 0.269 211 L C 0.167 177.046 176.870 0.014 0.000 1.179 211 L CA 0.310 55.159 54.840 0.015 0.000 0.828 211 L CB 0.898 42.959 42.059 0.005 0.000 1.106 211 L HN 0.586 nan 8.230 nan 0.000 0.467 212 S N 0.577 116.291 115.700 0.024 0.000 2.536 212 S HA 0.706 5.175 4.470 -0.001 0.000 0.271 212 S C 0.232 174.856 174.600 0.039 0.000 1.134 212 S CA 0.011 58.224 58.200 0.022 0.000 0.897 212 S CB 1.846 65.063 63.200 0.029 0.000 1.094 212 S HN 1.120 nan 8.310 nan 0.000 0.473 213 G N 2.113 110.916 108.800 0.004 0.000 2.561 213 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.289 213 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.289 213 G C 0.416 175.299 174.900 -0.029 0.000 1.169 213 G CA 0.844 45.943 45.100 -0.002 0.000 0.980 213 G HN 0.719 nan 8.290 nan 0.000 0.550 214 W N 1.947 123.236 121.300 -0.020 0.000 2.678 214 W HA 0.305 4.964 4.660 -0.001 0.000 0.256 214 W C 1.813 178.327 176.519 -0.008 0.000 1.280 214 W CA 1.084 58.418 57.345 -0.019 0.000 1.345 214 W CB -0.352 29.088 29.460 -0.034 0.000 1.118 214 W HN 0.468 nan 8.180 nan 0.000 0.629 215 T N 1.497 116.164 114.554 0.188 0.000 2.867 215 T HA 0.198 4.548 4.350 -0.001 0.000 0.297 215 T C 0.547 175.288 174.700 0.069 0.000 0.989 215 T CA 0.100 62.272 62.100 0.121 0.000 1.159 215 T CB 0.502 69.426 68.868 0.093 0.000 0.928 215 T HN -0.005 nan 8.240 nan 0.000 0.538 216 S N 3.051 118.786 115.700 0.059 0.000 2.726 216 S HA 0.548 5.018 4.470 -0.001 0.000 0.308 216 S C -2.099 172.505 174.600 0.006 0.000 1.115 216 S CA -1.826 56.388 58.200 0.022 0.000 0.965 216 S CB 1.456 64.672 63.200 0.025 0.000 1.145 216 S HN 0.229 nan 8.310 nan 0.000 0.532 217 P HA -0.192 nan 4.420 nan 0.000 0.218 217 P C 1.380 178.665 177.300 -0.025 0.000 1.154 217 P CA 1.531 64.607 63.100 -0.040 0.000 0.872 217 P CB -0.011 31.640 31.700 -0.081 0.000 0.790 218 K N 0.148 120.542 120.400 -0.010 0.000 2.089 218 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 218 K C 1.679 178.281 176.600 0.003 0.000 1.048 218 K CA 1.884 58.173 56.287 0.003 0.000 0.926 218 K CB -1.246 31.267 32.500 0.022 0.000 0.714 218 K HN 0.081 nan 8.250 nan 0.000 0.448 219 D N -0.347 120.060 120.400 0.010 0.000 2.133 219 D HA -0.154 4.485 4.640 -0.001 0.000 0.195 219 D C 1.895 178.146 176.300 -0.082 0.000 0.997 219 D CA 1.577 55.565 54.000 -0.019 0.000 0.840 219 D CB -0.147 40.671 40.800 0.030 0.000 0.947 219 D HN 0.093 nan 8.370 nan 0.000 0.452 220 V N 1.156 121.048 119.914 -0.037 0.000 2.332 220 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 220 V C 2.370 178.461 176.094 -0.006 0.000 1.055 220 V CA 1.079 63.368 62.300 -0.019 0.000 1.038 220 V CB -0.274 31.562 31.823 0.022 0.000 0.651 220 V HN 0.128 nan 8.190 nan 0.000 0.450 221 I N -0.934 119.636 120.570 0.000 0.000 3.059 221 I HA -0.006 4.164 4.170 -0.001 0.000 0.270 221 I C 1.849 177.961 176.117 -0.008 0.000 1.238 221 I CA 1.220 62.537 61.300 0.029 0.000 1.478 221 I CB -0.150 37.873 38.000 0.039 0.000 1.097 221 I HN 0.144 nan 8.210 nan 0.000 0.455 222 L N -0.088 121.104 121.223 -0.050 0.000 2.131 222 L HA -0.113 4.226 4.340 -0.001 0.000 0.206 222 L C 2.406 179.193 176.870 -0.138 0.000 1.087 222 L CA 1.068 55.869 54.840 -0.066 0.000 0.767 222 L CB -0.647 41.386 42.059 -0.044 0.000 0.917 222 L HN 0.173 nan 8.230 nan 0.000 0.441 223 K N 0.585 120.836 120.400 -0.248 0.000 1.991 223 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 223 K C 1.882 178.428 176.600 -0.091 0.000 1.045 223 K CA 1.478 57.617 56.287 -0.248 0.000 0.937 223 K CB -0.485 31.851 32.500 -0.273 0.000 0.720 223 K HN -0.039 nan 8.250 nan 0.000 0.438 224 V N 1.405 121.291 119.914 -0.046 0.000 2.332 224 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 224 V C 2.423 178.512 176.094 -0.007 0.000 1.055 224 V CA 2.086 64.380 62.300 -0.010 0.000 1.038 224 V CB -1.012 30.836 31.823 0.043 0.000 0.651 224 V HN 0.537 nan 8.190 nan 0.000 0.450 225 A N 0.436 123.254 122.820 -0.003 0.000 1.902 225 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 225 A C 2.433 180.013 177.584 -0.006 0.000 1.181 225 A CA 1.895 53.935 52.037 0.005 0.000 0.623 225 A CB -1.191 17.814 19.000 0.008 0.000 0.818 225 A HN 0.532 nan 8.150 nan 0.000 0.443 226 G N -0.080 108.709 108.800 -0.019 0.000 2.422 226 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.218 226 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.218 226 G C 1.513 176.408 174.900 -0.010 0.000 1.146 226 G CA 1.113 46.203 45.100 -0.017 0.000 0.769 226 G HN 0.484 nan 8.290 nan 0.000 0.547 227 I N -0.099 120.463 120.570 -0.012 0.000 2.252 227 I HA -0.050 4.119 4.170 -0.001 0.000 0.245 227 I C 2.576 178.688 176.117 -0.008 0.000 1.102 227 I CA 0.776 62.070 61.300 -0.010 0.000 1.385 227 I CB -0.083 37.906 38.000 -0.018 0.000 1.064 227 I HN 0.119 nan 8.210 nan 0.000 0.414 228 L N -0.306 120.912 121.223 -0.008 0.000 2.249 228 L HA 0.060 4.400 4.340 -0.001 0.000 0.207 228 L C 0.889 177.764 176.870 0.009 0.000 1.090 228 L CA 0.602 55.440 54.840 -0.004 0.000 0.802 228 L CB -0.311 41.742 42.059 -0.010 0.000 0.947 228 L HN 0.536 nan 8.230 nan 0.000 0.453 229 T N -4.199 110.363 114.554 0.013 0.000 0.541 229 T HA -0.226 4.123 4.350 -0.001 0.000 0.774 229 T C 0.893 175.620 174.700 0.044 0.000 0.992 229 T CA 0.277 62.391 62.100 0.024 0.000 4.077 229 T CB -1.039 67.845 68.868 0.027 0.000 2.303 229 T HN 0.183 nan 8.240 nan 0.000 0.398 230 V N -0.519 119.436 119.914 0.069 0.000 2.363 230 V HA -0.213 3.906 4.120 -0.001 0.000 0.254 230 V C 2.629 178.775 176.094 0.088 0.000 1.074 230 V CA 2.316 64.683 62.300 0.111 0.000 1.069 230 V CB -1.194 30.741 31.823 0.187 0.000 0.659 230 V HN 0.954 nan 8.190 nan 0.000 0.455 231 K N 0.885 121.327 120.400 0.069 0.000 2.243 231 K HA 0.171 4.490 4.320 -0.001 0.000 0.201 231 K C 2.342 178.966 176.600 0.040 0.000 1.051 231 K CA 0.854 57.174 56.287 0.056 0.000 0.970 231 K CB -0.528 32.001 32.500 0.048 0.000 0.755 231 K HN 0.604 nan 8.250 nan 0.000 0.465 232 G N 1.136 109.955 108.800 0.032 0.000 2.529 232 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.219 232 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.219 232 G C 1.390 176.296 174.900 0.010 0.000 1.177 232 G CA 1.178 46.288 45.100 0.016 0.000 0.773 232 G HN 0.433 nan 8.290 nan 0.000 0.573 233 G N -0.343 108.466 108.800 0.014 0.000 2.920 233 G HA2 0.232 4.192 3.960 -0.001 0.000 0.208 233 G HA3 0.232 4.192 3.960 -0.001 0.000 0.208 233 G C 0.699 175.607 174.900 0.013 0.000 1.159 233 G CA 0.498 45.601 45.100 0.005 0.000 0.784 233 G HN 0.364 nan 8.290 nan 0.000 0.535 234 T N 0.774 115.344 114.554 0.025 0.000 2.934 234 T HA 0.373 4.722 4.350 -0.001 0.000 0.306 234 T C 1.567 176.280 174.700 0.020 0.000 1.042 234 T CA 1.080 63.199 62.100 0.033 0.000 1.145 234 T CB 0.854 69.750 68.868 0.047 0.000 0.982 234 T HN 0.892 nan 8.240 nan 0.000 0.544 235 G N 1.282 110.093 108.800 0.019 0.000 2.184 235 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.264 235 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.264 235 G C 0.135 175.033 174.900 -0.004 0.000 0.975 235 G CA 0.120 45.222 45.100 0.003 0.000 0.642 235 G HN 1.205 nan 8.290 nan 0.000 0.536 236 A N -0.882 121.936 122.820 -0.003 0.000 2.435 236 A HA 0.899 5.218 4.320 -0.001 0.000 0.296 236 A C -0.407 177.169 177.584 -0.013 0.000 1.147 236 A CA -0.731 51.298 52.037 -0.013 0.000 0.775 236 A CB 1.326 20.310 19.000 -0.026 0.000 1.340 236 A HN 0.672 nan 8.150 nan 0.000 0.427 237 I N 0.924 121.479 120.570 -0.024 0.000 2.404 237 I HA 0.334 4.503 4.170 -0.001 0.000 0.293 237 I C -0.768 175.308 176.117 -0.069 0.000 0.992 237 I CA -0.902 60.384 61.300 -0.024 0.000 1.149 237 I CB 1.984 39.977 38.000 -0.011 0.000 1.315 237 I HN 0.293 nan 8.210 nan 0.000 0.446 238 V N 5.813 125.679 119.914 -0.081 0.000 2.408 238 V HA 0.182 4.301 4.120 -0.001 0.000 0.267 238 V C 0.224 176.168 176.094 -0.250 0.000 1.047 238 V CA -0.357 61.816 62.300 -0.213 0.000 0.937 238 V CB 0.856 32.557 31.823 -0.203 0.000 0.999 238 V HN 0.706 nan 8.190 nan 0.000 0.472 239 E N 3.990 123.978 120.200 -0.352 0.000 2.151 239 E HA 0.418 4.768 4.350 -0.001 0.000 0.275 239 E C -1.553 174.790 176.600 -0.429 0.000 0.936 239 E CA -0.648 55.597 56.400 -0.258 0.000 0.777 239 E CB 1.078 30.694 29.700 -0.140 0.000 1.108 239 E HN 0.642 nan 8.360 nan 0.000 0.401 240 Y N 4.061 124.124 120.300 -0.395 0.000 2.323 240 Y HA 0.292 4.842 4.550 -0.001 0.000 0.331 240 Y C 0.581 176.332 175.900 -0.250 0.000 1.092 240 Y CA -0.211 57.567 58.100 -0.536 0.000 1.150 240 Y CB 1.016 38.645 38.460 -1.385 0.000 1.200 240 Y HN 0.521 nan 8.280 nan 0.000 0.472 241 H N 0.019 119.012 119.070 -0.128 0.000 2.948 241 H HA 0.785 5.340 4.556 -0.001 0.000 0.315 241 H C -0.284 175.062 175.328 0.031 0.000 1.360 241 H CA -1.282 54.763 56.048 -0.005 0.000 1.125 241 H CB 1.438 31.218 29.762 0.030 0.000 1.844 241 H HN 0.911 nan 8.280 nan 0.000 0.529 242 G N 0.109 108.934 108.800 0.041 0.000 2.423 242 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.684 242 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.684 242 G C -2.240 172.689 174.900 0.050 0.000 1.309 242 G CA -0.314 44.780 45.100 -0.010 0.000 0.950 242 G HN 0.537 nan 8.290 nan 0.000 0.587 243 P HA -0.112 nan 4.420 nan 0.000 0.216 243 P C 2.051 179.388 177.300 0.061 0.000 1.153 243 P CA 2.302 65.433 63.100 0.053 0.000 0.858 243 P CB -0.384 31.339 31.700 0.039 0.000 0.789 244 G N 0.213 109.043 108.800 0.050 0.000 2.485 244 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.221 244 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.221 244 G C 1.755 176.713 174.900 0.097 0.000 1.115 244 G CA 0.644 45.781 45.100 0.061 0.000 0.751 244 G HN 0.181 nan 8.290 nan 0.000 0.567 245 V N 1.287 121.289 119.914 0.147 0.000 2.278 245 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 245 V C 2.349 178.489 176.094 0.077 0.000 1.062 245 V CA 2.258 64.694 62.300 0.227 0.000 1.038 245 V CB -0.310 31.686 31.823 0.289 0.000 0.646 245 V HN 0.408 nan 8.190 nan 0.000 0.447 246 D N -0.677 119.761 120.400 0.064 0.000 2.371 246 D HA -0.075 4.564 4.640 -0.001 0.000 0.221 246 D C 2.183 178.481 176.300 -0.004 0.000 0.986 246 D CA 1.256 55.266 54.000 0.017 0.000 0.899 246 D CB 0.175 41.079 40.800 0.173 0.000 0.902 246 D HN 0.550 nan 8.370 nan 0.000 0.530 247 S N -0.181 115.526 115.700 0.011 0.000 2.496 247 S HA 0.023 4.492 4.470 -0.001 0.000 0.224 247 S C 0.896 175.469 174.600 -0.044 0.000 0.996 247 S CA -0.165 58.035 58.200 0.001 0.000 0.927 247 S CB 0.227 63.438 63.200 0.019 0.000 0.774 247 S HN 0.060 nan 8.310 nan 0.000 0.524 248 I N 2.406 122.923 120.570 -0.088 0.000 2.577 248 I HA 0.327 4.496 4.170 -0.001 0.000 0.305 248 I C 0.515 176.504 176.117 -0.212 0.000 0.986 248 I CA -0.829 60.379 61.300 -0.153 0.000 1.189 248 I CB 2.000 39.867 38.000 -0.221 0.000 1.355 248 I HN 0.218 nan 8.210 nan 0.000 0.476 249 S N 2.339 117.922 115.700 -0.194 0.000 2.632 249 S HA 0.069 4.538 4.470 -0.001 0.000 0.267 249 S C 0.971 175.405 174.600 -0.276 0.000 1.276 249 S CA -0.833 57.255 58.200 -0.186 0.000 0.998 249 S CB 1.348 64.484 63.200 -0.108 0.000 0.953 249 S HN 0.879 nan 8.310 nan 0.000 0.547 250 C N 1.698 120.834 119.300 -0.272 0.000 2.413 250 C HA -0.100 4.360 4.460 -0.001 0.000 0.276 250 C C 2.979 177.710 174.990 -0.431 0.000 1.248 250 C CA 1.778 60.573 59.018 -0.373 0.000 1.742 250 C CB -2.083 25.441 27.740 -0.359 0.000 2.017 250 C HN 1.057 nan 8.230 nan 0.000 0.481 251 T N -1.673 112.643 114.554 -0.396 0.000 2.951 251 T HA 0.077 4.427 4.350 -0.001 0.000 0.268 251 T C 1.966 176.538 174.700 -0.213 0.000 1.073 251 T CA 1.538 63.457 62.100 -0.301 0.000 1.134 251 T CB -0.870 67.885 68.868 -0.187 0.000 0.884 251 T HN 0.588 nan 8.240 nan 0.000 0.479 252 G N 1.428 110.104 108.800 -0.207 0.000 2.418 252 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.217 252 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.217 252 G C 1.613 176.346 174.900 -0.279 0.000 1.158 252 G CA 0.735 45.719 45.100 -0.192 0.000 0.771 252 G HN 0.471 nan 8.290 nan 0.000 0.545 253 M N 0.774 120.105 119.600 -0.449 0.000 2.159 253 M HA 0.004 4.484 4.480 -0.001 0.000 0.263 253 M C 2.991 179.077 176.300 -0.357 0.000 1.063 253 M CA 1.346 56.212 55.300 -0.723 0.000 1.110 253 M CB -0.163 31.793 32.600 -1.073 0.000 1.374 253 M HN 0.319 nan 8.290 nan 0.000 0.411 254 A N -0.284 122.380 122.820 -0.260 0.000 1.968 254 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 254 A C 2.140 179.667 177.584 -0.096 0.000 1.169 254 A CA 1.836 53.786 52.037 -0.144 0.000 0.638 254 A CB -0.970 17.935 19.000 -0.158 0.000 0.812 254 A HN 0.426 nan 8.150 nan 0.000 0.446 255 T N 0.601 115.093 114.554 -0.104 0.000 2.720 255 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 255 T C 1.772 176.450 174.700 -0.037 0.000 1.037 255 T CA 1.683 63.747 62.100 -0.060 0.000 1.144 255 T CB -0.419 68.413 68.868 -0.060 0.000 0.864 255 T HN 0.462 nan 8.240 nan 0.000 0.444 256 I N 0.636 121.170 120.570 -0.061 0.000 2.163 256 I HA -0.171 3.998 4.170 -0.001 0.000 0.240 256 I C 2.728 178.842 176.117 -0.005 0.000 1.081 256 I CA 0.892 62.159 61.300 -0.055 0.000 1.353 256 I CB -0.553 37.361 38.000 -0.144 0.000 1.054 256 I HN 0.314 nan 8.210 nan 0.000 0.407 257 C N 0.675 119.986 119.300 0.018 0.000 2.413 257 C HA -0.184 4.275 4.460 -0.001 0.000 0.276 257 C C 2.751 177.771 174.990 0.049 0.000 1.248 257 C CA 1.113 60.174 59.018 0.071 0.000 1.742 257 C CB -1.541 26.250 27.740 0.085 0.000 2.017 257 C HN 0.599 nan 8.230 nan 0.000 0.481 258 N N 0.878 119.592 118.700 0.023 0.000 2.036 258 N HA -0.167 4.573 4.740 -0.001 0.000 0.195 258 N C 1.653 177.236 175.510 0.121 0.000 1.037 258 N CA 1.781 54.854 53.050 0.038 0.000 0.855 258 N CB -0.444 38.044 38.487 0.002 0.000 1.033 258 N HN 0.531 nan 8.380 nan 0.000 0.423 259 M N -0.081 119.573 119.600 0.090 0.000 2.619 259 M HA 0.060 4.539 4.480 -0.001 0.000 0.251 259 M C 1.568 177.932 176.300 0.106 0.000 1.106 259 M CA 0.579 55.948 55.300 0.116 0.000 1.086 259 M CB -0.049 32.596 32.600 0.076 0.000 1.465 259 M HN 0.179 nan 8.290 nan 0.000 0.506 260 G N -0.330 108.525 108.800 0.091 0.000 2.535 260 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.218 260 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.218 260 G C 1.396 176.327 174.900 0.051 0.000 1.122 260 G CA 0.771 45.922 45.100 0.085 0.000 0.769 260 G HN 0.585 nan 8.290 nan 0.000 0.549 261 A N 0.628 123.462 122.820 0.023 0.000 2.015 261 A HA 0.065 4.385 4.320 -0.001 0.000 0.219 261 A C 2.071 179.661 177.584 0.010 0.000 1.163 261 A CA 1.665 53.666 52.037 -0.060 0.000 0.646 261 A CB -0.147 18.664 19.000 -0.315 0.000 0.806 261 A HN 0.304 nan 8.150 nan 0.000 0.448 262 E N -0.494 119.764 120.200 0.097 0.000 2.511 262 E HA 0.006 4.356 4.350 -0.001 0.000 0.196 262 E C 1.351 178.027 176.600 0.127 0.000 1.066 262 E CA 0.719 57.212 56.400 0.155 0.000 0.871 262 E CB -0.207 29.602 29.700 0.181 0.000 0.863 262 E HN 0.893 nan 8.360 nan 0.000 0.520 263 I N -5.401 115.219 120.570 0.083 0.000 3.976 263 I HA 0.438 4.607 4.170 -0.001 0.000 0.337 263 I C 1.143 177.293 176.117 0.056 0.000 1.359 263 I CA 0.268 61.608 61.300 0.067 0.000 1.098 263 I CB 0.497 38.523 38.000 0.044 0.000 1.027 263 I HN 0.020 nan 8.210 nan 0.000 0.394 264 G N 1.681 110.512 108.800 0.052 0.000 2.136 264 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.242 264 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.242 264 G C 0.403 175.322 174.900 0.031 0.000 0.989 264 G CA -0.021 45.104 45.100 0.042 0.000 0.682 264 G HN 0.937 nan 8.290 nan 0.000 0.522 265 A N -0.308 122.526 122.820 0.023 0.000 2.462 265 A HA 0.664 4.984 4.320 -0.001 0.000 0.243 265 A C 1.631 179.226 177.584 0.019 0.000 1.076 265 A CA 1.316 53.363 52.037 0.016 0.000 0.773 265 A CB 0.302 19.311 19.000 0.015 0.000 1.010 265 A HN 0.722 nan 8.150 nan 0.000 0.493 266 T N 0.569 115.137 114.554 0.024 0.000 2.788 266 T HA 0.052 4.401 4.350 -0.001 0.000 0.268 266 T C 0.942 175.666 174.700 0.040 0.000 1.044 266 T CA 2.039 64.163 62.100 0.040 0.000 1.139 266 T CB -0.186 68.708 68.868 0.044 0.000 0.867 266 T HN 0.990 nan 8.240 nan 0.000 0.454 267 T N -0.884 113.689 114.554 0.032 0.000 2.654 267 T HA 0.466 4.816 4.350 -0.001 0.000 0.303 267 T C -2.015 172.711 174.700 0.043 0.000 1.656 267 T CA -0.726 61.393 62.100 0.031 0.000 0.971 267 T CB 1.253 70.143 68.868 0.036 0.000 1.811 267 T HN 0.024 nan 8.240 nan 0.000 0.483 268 S N 0.130 115.871 115.700 0.069 0.000 2.549 268 S HA 0.877 5.347 4.470 -0.001 0.000 0.280 268 S C -1.389 173.296 174.600 0.142 0.000 1.109 268 S CA -0.674 57.599 58.200 0.122 0.000 0.905 268 S CB 1.849 65.172 63.200 0.205 0.000 1.081 268 S HN 0.841 nan 8.310 nan 0.000 0.477 269 V N 2.245 122.256 119.914 0.163 0.000 3.087 269 V HA 0.750 4.870 4.120 -0.001 0.000 0.306 269 V C -2.143 174.077 176.094 0.210 0.000 1.187 269 V CA -0.671 61.738 62.300 0.182 0.000 0.999 269 V CB 2.037 33.931 31.823 0.119 0.000 1.049 269 V HN 0.851 nan 8.190 nan 0.000 0.431 270 F N 5.254 125.276 119.950 0.119 0.000 2.546 270 F HA 0.730 5.256 4.527 -0.001 0.000 0.320 270 F C -2.156 173.716 175.800 0.119 0.000 1.076 270 F CA -1.918 56.154 58.000 0.120 0.000 0.928 270 F CB 2.791 41.813 39.000 0.037 0.000 1.189 270 F HN 0.346 nan 8.300 nan 0.000 0.465 271 P HA 0.020 nan 4.420 nan 0.000 0.278 271 P C -0.985 176.468 177.300 0.255 0.000 1.238 271 P CA -0.176 63.072 63.100 0.247 0.000 0.794 271 P CB 0.604 32.427 31.700 0.205 0.000 0.955 272 Y N 4.348 124.725 120.300 0.129 0.000 2.881 272 Y HA 0.030 4.580 4.550 -0.001 0.000 0.335 272 Y C 0.430 176.399 175.900 0.114 0.000 1.263 272 Y CA 0.946 59.116 58.100 0.116 0.000 1.572 272 Y CB -0.267 38.255 38.460 0.103 0.000 1.237 272 Y HN 0.528 nan 8.280 nan 0.000 0.568 273 N N 2.923 121.390 118.700 -0.389 0.000 3.039 273 N HA 0.076 4.815 4.740 -0.001 0.000 0.257 273 N C 0.409 175.710 175.510 -0.350 0.000 1.497 273 N CA -0.196 52.682 53.050 -0.286 0.000 0.861 273 N CB 0.068 38.519 38.487 -0.060 0.000 1.479 273 N HN 0.636 nan 8.380 nan 0.000 0.547 274 H N -0.494 118.439 119.070 -0.228 0.000 2.491 274 H HA 0.156 4.711 4.556 -0.001 0.000 0.290 274 H C 0.619 175.892 175.328 -0.091 0.000 1.050 274 H CA 0.758 56.710 56.048 -0.159 0.000 1.309 274 H CB 0.026 29.737 29.762 -0.085 0.000 1.392 274 H HN 0.363 nan 8.280 nan 0.000 0.554 275 R N 0.605 120.808 120.500 -0.495 0.000 2.092 275 R HA 0.031 4.370 4.340 -0.001 0.000 0.231 275 R C 2.461 178.701 176.300 -0.101 0.000 1.119 275 R CA 1.030 56.941 56.100 -0.315 0.000 0.970 275 R CB -0.416 29.660 30.300 -0.373 0.000 0.864 275 R HN 0.442 nan 8.270 nan 0.000 0.440 276 M N 0.342 119.886 119.600 -0.093 0.000 2.254 276 M HA -0.039 4.441 4.480 -0.001 0.000 0.265 276 M C 2.243 178.648 176.300 0.174 0.000 1.066 276 M CA 1.115 56.453 55.300 0.063 0.000 1.123 276 M CB -0.198 32.478 32.600 0.126 0.000 1.388 276 M HN -0.086 nan 8.290 nan 0.000 0.425 277 K N 1.386 121.839 120.400 0.088 0.000 2.026 277 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 277 K C 1.940 178.637 176.600 0.161 0.000 1.048 277 K CA 1.549 57.943 56.287 0.179 0.000 0.929 277 K CB -0.182 32.376 32.500 0.097 0.000 0.713 277 K HN 0.273 nan 8.250 nan 0.000 0.439 278 K N -0.407 120.066 120.400 0.121 0.000 2.009 278 K HA -0.224 4.096 4.320 -0.001 0.000 0.210 278 K C 2.279 178.963 176.600 0.140 0.000 1.049 278 K CA 1.726 58.078 56.287 0.109 0.000 0.929 278 K CB -0.417 32.135 32.500 0.086 0.000 0.714 278 K HN 0.136 nan 8.250 nan 0.000 0.440 279 Y N 1.444 121.777 120.300 0.055 0.000 2.181 279 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 279 Y C 1.914 177.876 175.900 0.104 0.000 1.146 279 Y CA 1.520 59.671 58.100 0.084 0.000 1.164 279 Y CB -0.110 38.388 38.460 0.064 0.000 0.982 279 Y HN 0.055 nan 8.280 nan 0.000 0.515 280 L N -0.878 120.470 121.223 0.209 0.000 2.043 280 L HA -0.309 4.030 4.340 -0.001 0.000 0.212 280 L C 2.479 179.384 176.870 0.058 0.000 1.075 280 L CA 1.804 56.728 54.840 0.140 0.000 0.752 280 L CB -0.664 41.519 42.059 0.206 0.000 0.891 280 L HN 0.181 nan 8.230 nan 0.000 0.432 281 S N -0.659 115.081 115.700 0.067 0.000 2.383 281 S HA -0.174 4.295 4.470 -0.001 0.000 0.227 281 S C 1.892 176.493 174.600 0.003 0.000 1.026 281 S CA 1.124 59.347 58.200 0.039 0.000 0.981 281 S CB -0.132 63.097 63.200 0.049 0.000 0.818 281 S HN 0.197 nan 8.310 nan 0.000 0.472 282 K N 2.093 122.479 120.400 -0.023 0.000 2.439 282 K HA 0.006 4.325 4.320 -0.001 0.000 0.197 282 K C 1.362 177.963 176.600 0.001 0.000 1.041 282 K CA 1.090 57.357 56.287 -0.032 0.000 0.970 282 K CB -0.409 32.056 32.500 -0.059 0.000 0.773 282 K HN 0.456 nan 8.250 nan 0.000 0.479 283 T N -3.327 111.156 114.554 -0.119 0.000 3.214 283 T HA 0.321 4.671 4.350 -0.001 0.000 0.264 283 T C 0.869 175.542 174.700 -0.044 0.000 1.012 283 T CA -0.093 61.918 62.100 -0.149 0.000 0.901 283 T CB 0.099 68.728 68.868 -0.398 0.000 1.070 283 T HN 0.228 nan 8.240 nan 0.000 0.561 284 G N 2.073 110.878 108.800 0.007 0.000 2.182 284 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.248 284 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.248 284 G C 0.210 175.179 174.900 0.115 0.000 1.042 284 G CA -0.206 44.936 45.100 0.070 0.000 0.775 284 G HN 0.616 nan 8.290 nan 0.000 0.501 285 R N -0.646 119.888 120.500 0.056 0.000 2.772 285 R HA 0.532 4.872 4.340 -0.001 0.000 0.358 285 R C 1.834 178.159 176.300 0.041 0.000 1.143 285 R CA 0.274 56.393 56.100 0.032 0.000 1.153 285 R CB 0.276 30.602 30.300 0.043 0.000 1.329 285 R HN 0.369 nan 8.270 nan 0.000 0.615 286 A N 1.293 124.136 122.820 0.038 0.000 1.933 286 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 286 A C 1.734 179.347 177.584 0.049 0.000 1.175 286 A CA 1.871 53.938 52.037 0.051 0.000 0.628 286 A CB -0.119 18.904 19.000 0.038 0.000 0.814 286 A HN 0.514 nan 8.150 nan 0.000 0.444 287 D N 0.342 120.753 120.400 0.017 0.000 2.178 287 D HA -0.147 4.492 4.640 -0.001 0.000 0.202 287 D C 1.771 178.071 176.300 0.001 0.000 0.974 287 D CA 1.185 55.186 54.000 0.002 0.000 0.841 287 D CB -0.623 40.157 40.800 -0.034 0.000 0.953 287 D HN 0.522 nan 8.370 nan 0.000 0.478 288 I N 1.082 121.646 120.570 -0.010 0.000 2.252 288 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 288 I C 2.704 178.866 176.117 0.075 0.000 1.102 288 I CA 1.049 62.341 61.300 -0.013 0.000 1.385 288 I CB -0.224 37.762 38.000 -0.024 0.000 1.064 288 I HN 0.019 nan 8.210 nan 0.000 0.414 289 A N 0.834 123.729 122.820 0.125 0.000 1.930 289 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 289 A C 2.019 179.724 177.584 0.202 0.000 1.175 289 A CA 1.699 53.867 52.037 0.218 0.000 0.627 289 A CB -0.513 18.620 19.000 0.222 0.000 0.815 289 A HN 0.396 nan 8.150 nan 0.000 0.443 290 N N -0.323 118.458 118.700 0.135 0.000 2.207 290 N HA -0.080 4.660 4.740 -0.001 0.000 0.182 290 N C 1.608 177.202 175.510 0.139 0.000 1.020 290 N CA 1.307 54.431 53.050 0.124 0.000 0.858 290 N CB -0.533 38.002 38.487 0.081 0.000 0.991 290 N HN 0.421 nan 8.380 nan 0.000 0.427 291 L N 1.262 122.567 121.223 0.138 0.000 2.046 291 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 291 L C 2.027 179.109 176.870 0.354 0.000 1.077 291 L CA 1.585 56.558 54.840 0.221 0.000 0.747 291 L CB -0.849 41.291 42.059 0.134 0.000 0.896 291 L HN 0.116 nan 8.230 nan 0.000 0.432 292 A N -0.908 122.051 122.820 0.231 0.000 1.933 292 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 292 A C 1.976 179.544 177.584 -0.026 0.000 1.175 292 A CA 1.745 53.778 52.037 -0.007 0.000 0.628 292 A CB -0.878 17.878 19.000 -0.407 0.000 0.814 292 A HN 0.519 nan 8.150 nan 0.000 0.444 293 D N -0.036 120.463 120.400 0.165 0.000 2.182 293 D HA -0.131 4.508 4.640 -0.001 0.000 0.201 293 D C 1.783 178.162 176.300 0.133 0.000 0.986 293 D CA 1.403 55.553 54.000 0.250 0.000 0.847 293 D CB -0.241 40.691 40.800 0.220 0.000 0.942 293 D HN 0.680 nan 8.370 nan 0.000 0.467 294 E N -1.298 118.967 120.200 0.110 0.000 2.435 294 E HA -0.014 4.335 4.350 -0.001 0.000 0.195 294 E C 0.631 177.089 176.600 -0.237 0.000 1.029 294 E CA 0.211 56.586 56.400 -0.042 0.000 0.865 294 E CB 0.127 29.784 29.700 -0.070 0.000 0.833 294 E HN 0.313 nan 8.360 nan 0.000 0.510 295 F N 0.229 120.171 119.950 -0.013 0.000 2.668 295 F HA 0.233 4.760 4.527 -0.001 0.000 0.301 295 F C 1.711 177.427 175.800 -0.140 0.000 1.106 295 F CA -0.325 57.643 58.000 -0.055 0.000 1.289 295 F CB 0.489 39.395 39.000 -0.157 0.000 1.006 295 F HN -0.204 nan 8.300 nan 0.000 0.535 296 K N 1.019 121.443 120.400 0.039 0.000 2.160 296 K HA -0.274 4.046 4.320 -0.001 0.000 0.206 296 K C 1.791 178.385 176.600 -0.010 0.000 1.047 296 K CA 2.105 58.435 56.287 0.071 0.000 0.930 296 K CB -0.119 32.471 32.500 0.150 0.000 0.720 296 K HN 0.271 nan 8.250 nan 0.000 0.450 297 D N -0.636 119.667 120.400 -0.161 0.000 2.264 297 D HA -0.176 4.464 4.640 -0.001 0.000 0.208 297 D C 1.215 177.346 176.300 -0.282 0.000 0.966 297 D CA 1.132 54.987 54.000 -0.240 0.000 0.864 297 D CB 0.108 40.696 40.800 -0.353 0.000 0.933 297 D HN 0.365 nan 8.370 nan 0.000 0.499 298 H N -0.697 118.402 119.070 0.048 0.000 2.548 298 H HA 0.201 4.757 4.556 -0.001 0.000 0.265 298 H C 0.904 176.239 175.328 0.012 0.000 0.969 298 H CA 0.410 56.479 56.048 0.035 0.000 1.155 298 H CB 0.430 30.220 29.762 0.047 0.000 1.394 298 H HN 0.284 nan 8.280 nan 0.000 0.570 299 L N 1.020 122.289 121.223 0.076 0.000 2.965 299 L HA 0.214 4.554 4.340 -0.001 0.000 0.254 299 L C 0.054 177.013 176.870 0.148 0.000 1.220 299 L CA -0.274 54.621 54.840 0.092 0.000 1.023 299 L CB 0.639 42.718 42.059 0.033 0.000 1.355 299 L HN -0.082 nan 8.230 nan 0.000 0.545 300 V N -4.077 115.905 119.914 0.114 0.000 3.130 300 V HA 0.709 4.829 4.120 -0.001 0.000 0.310 300 V C -2.749 173.392 176.094 0.080 0.000 1.158 300 V CA -2.297 60.071 62.300 0.113 0.000 1.029 300 V CB 1.994 33.878 31.823 0.102 0.000 1.057 300 V HN -0.132 nan 8.190 nan 0.000 0.436 301 P HA 0.252 nan 4.420 nan 0.000 0.274 301 P C -0.893 176.413 177.300 0.009 0.000 1.231 301 P CA 0.071 63.190 63.100 0.031 0.000 0.790 301 P CB 0.599 32.317 31.700 0.030 0.000 0.951 302 D N 2.531 122.922 120.400 -0.014 0.000 2.382 302 D HA 0.112 4.752 4.640 -0.001 0.000 0.240 302 D C -1.720 174.562 176.300 -0.030 0.000 1.146 302 D CA -1.018 52.974 54.000 -0.013 0.000 0.897 302 D CB -0.597 40.196 40.800 -0.012 0.000 1.197 302 D HN 0.326 nan 8.370 nan 0.000 0.432 303 P HA 0.019 nan 4.420 nan 0.000 0.262 303 P C 0.598 177.878 177.300 -0.033 0.000 1.182 303 P CA 0.175 63.267 63.100 -0.013 0.000 0.761 303 P CB 0.381 32.081 31.700 -0.001 0.000 0.795 304 G N 2.413 111.187 108.800 -0.044 0.000 2.249 304 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.273 304 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.273 304 G C 0.429 175.266 174.900 -0.104 0.000 1.036 304 G CA -0.019 45.046 45.100 -0.058 0.000 0.824 304 G HN 0.924 nan 8.290 nan 0.000 0.504 305 C N -0.896 118.289 119.300 -0.191 0.000 2.649 305 C HA 0.734 5.194 4.460 -0.001 0.000 0.377 305 C C 0.758 175.519 174.990 -0.381 0.000 1.321 305 C CA -0.974 57.892 59.018 -0.254 0.000 2.368 305 C CB 0.962 28.508 27.740 -0.323 0.000 2.597 305 C HN 0.671 nan 8.230 nan 0.000 0.678 306 H N 0.543 119.374 119.070 -0.398 0.000 2.539 306 H HA 0.405 4.961 4.556 -0.001 0.000 0.332 306 H C -1.632 173.528 175.328 -0.279 0.000 1.031 306 H CA -0.334 55.523 56.048 -0.319 0.000 1.206 306 H CB 0.604 30.283 29.762 -0.138 0.000 1.446 306 H HN 0.826 nan 8.280 nan 0.000 0.496 307 Y N 3.609 123.548 120.300 -0.602 0.000 2.323 307 Y HA 0.076 4.626 4.550 -0.001 0.000 0.331 307 Y C 1.367 176.884 175.900 -0.638 0.000 1.092 307 Y CA -0.799 56.990 58.100 -0.518 0.000 1.150 307 Y CB 1.231 39.508 38.460 -0.306 0.000 1.200 307 Y HN 0.638 nan 8.280 nan 0.000 0.472 308 D N 1.649 121.894 120.400 -0.257 0.000 2.378 308 D HA -0.108 4.532 4.640 -0.001 0.000 0.227 308 D C 0.165 176.443 176.300 -0.038 0.000 1.012 308 D CA 1.023 54.951 54.000 -0.121 0.000 0.905 308 D CB 0.506 41.291 40.800 -0.025 0.000 0.895 308 D HN 0.582 nan 8.370 nan 0.000 0.532 309 Q N 0.145 119.918 119.800 -0.046 0.000 2.541 309 Q HA 0.244 4.583 4.340 -0.001 0.000 0.259 309 Q C -2.393 173.577 176.000 -0.051 0.000 0.974 309 Q CA -0.406 55.379 55.803 -0.030 0.000 0.955 309 Q CB 1.692 30.407 28.738 -0.039 0.000 1.517 309 Q HN -0.170 nan 8.270 nan 0.000 0.412 310 V N 4.963 124.862 119.914 -0.026 0.000 2.540 310 V HA 0.609 4.729 4.120 -0.001 0.000 0.302 310 V C -0.425 175.637 176.094 -0.053 0.000 1.035 310 V CA -0.537 61.739 62.300 -0.039 0.000 0.873 310 V CB 1.890 33.742 31.823 0.048 0.000 0.992 310 V HN 0.729 nan 8.190 nan 0.000 0.428 311 I N 3.581 124.093 120.570 -0.097 0.000 2.433 311 I HA 0.468 4.637 4.170 -0.001 0.000 0.292 311 I C -0.298 175.759 176.117 -0.101 0.000 1.001 311 I CA -0.419 60.827 61.300 -0.090 0.000 1.119 311 I CB 2.081 40.012 38.000 -0.115 0.000 1.289 311 I HN 0.673 nan 8.210 nan 0.000 0.438 312 E N 7.440 127.600 120.200 -0.067 0.000 2.145 312 E HA 0.594 4.944 4.350 -0.001 0.000 0.270 312 E C -1.433 175.139 176.600 -0.047 0.000 0.906 312 E CA -0.463 55.897 56.400 -0.065 0.000 0.761 312 E CB 1.406 31.084 29.700 -0.036 0.000 1.116 312 E HN 0.473 nan 8.360 nan 0.000 0.408 313 I N 4.090 124.632 120.570 -0.048 0.000 2.466 313 I HA 0.227 4.396 4.170 -0.001 0.000 0.289 313 I C -0.566 175.546 176.117 -0.010 0.000 1.026 313 I CA -1.016 60.272 61.300 -0.020 0.000 1.078 313 I CB 1.903 39.896 38.000 -0.012 0.000 1.249 313 I HN 0.486 nan 8.210 nan 0.000 0.429 314 N N 6.965 125.666 118.700 0.002 0.000 2.469 314 N HA 0.253 4.993 4.740 -0.001 0.000 0.239 314 N C 0.782 176.303 175.510 0.019 0.000 1.053 314 N CA -0.101 52.955 53.050 0.010 0.000 0.937 314 N CB 1.087 39.581 38.487 0.012 0.000 1.163 314 N HN 0.617 nan 8.380 nan 0.000 0.509 315 L N 1.735 122.971 121.223 0.021 0.000 2.127 315 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 315 L C 1.987 178.875 176.870 0.030 0.000 1.089 315 L CA 0.914 55.771 54.840 0.027 0.000 0.757 315 L CB -0.220 41.856 42.059 0.028 0.000 0.899 315 L HN 0.433 nan 8.230 nan 0.000 0.434 316 S N -0.682 115.034 115.700 0.026 0.000 2.428 316 S HA -0.140 4.330 4.470 -0.001 0.000 0.230 316 S C 1.759 176.376 174.600 0.030 0.000 1.014 316 S CA 0.927 59.143 58.200 0.027 0.000 0.957 316 S CB -0.033 63.180 63.200 0.022 0.000 0.784 316 S HN 0.382 nan 8.310 nan 0.000 0.499 317 E N 0.309 120.527 120.200 0.030 0.000 2.442 317 E HA 0.169 4.518 4.350 -0.001 0.000 0.195 317 E C 0.163 176.792 176.600 0.048 0.000 1.030 317 E CA -0.156 56.264 56.400 0.033 0.000 0.869 317 E CB 0.097 29.815 29.700 0.030 0.000 0.857 317 E HN 0.220 nan 8.360 nan 0.000 0.505 318 L N 1.225 122.480 121.223 0.054 0.000 2.426 318 L HA 0.163 4.503 4.340 -0.001 0.000 0.271 318 L C -0.423 176.504 176.870 0.096 0.000 1.169 318 L CA 0.552 55.440 54.840 0.080 0.000 0.836 318 L CB 0.446 42.539 42.059 0.058 0.000 1.112 318 L HN -0.243 nan 8.230 nan 0.000 0.465 319 K N 4.129 124.616 120.400 0.145 0.000 2.480 319 K HA 0.544 4.863 4.320 -0.001 0.000 0.258 319 K C -2.633 174.077 176.600 0.184 0.000 0.990 319 K CA -2.190 54.166 56.287 0.115 0.000 0.857 319 K CB 1.641 34.166 32.500 0.041 0.000 1.384 319 K HN 0.243 nan 8.250 nan 0.000 0.446 320 P HA 0.050 nan 4.420 nan 0.000 0.265 320 P C -0.922 176.449 177.300 0.118 0.000 1.187 320 P CA 0.460 63.642 63.100 0.136 0.000 0.766 320 P CB 0.298 32.030 31.700 0.053 0.000 0.820 321 H N 0.969 120.055 119.070 0.027 0.000 2.797 321 H HA 0.718 5.274 4.556 -0.001 0.000 0.372 321 H C -0.640 174.723 175.328 0.057 0.000 1.168 321 H CA -0.655 55.419 56.048 0.043 0.000 1.163 321 H CB 1.494 31.282 29.762 0.044 0.000 1.778 321 H HN 0.262 nan 8.280 nan 0.000 0.551 322 I N 2.024 122.720 120.570 0.210 0.000 2.512 322 I HA 0.333 4.502 4.170 -0.001 0.000 0.287 322 I C -1.345 174.970 176.117 0.330 0.000 1.069 322 I CA -0.619 60.803 61.300 0.204 0.000 1.056 322 I CB 0.931 38.983 38.000 0.087 0.000 1.229 322 I HN 0.542 nan 8.210 nan 0.000 0.429 323 N N 4.810 123.651 118.700 0.235 0.000 2.405 323 N HA 0.910 5.649 4.740 -0.001 0.000 0.299 323 N C -0.217 175.315 175.510 0.036 0.000 1.075 323 N CA 0.289 53.428 53.050 0.148 0.000 0.884 323 N CB 2.009 40.519 38.487 0.039 0.000 1.194 323 N HN 0.986 nan 8.380 nan 0.000 0.491 324 G N 1.282 110.040 108.800 -0.070 0.000 2.408 324 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.682 324 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.682 324 G C -2.625 171.865 174.900 -0.684 0.000 1.303 324 G CA -0.732 44.097 45.100 -0.452 0.000 0.966 324 G HN 0.428 nan 8.290 nan 0.000 0.560 325 P HA 0.369 nan 4.420 nan 0.000 0.274 325 P C 0.243 176.744 177.300 -1.332 0.000 1.352 325 P CA 0.303 62.429 63.100 -1.623 0.000 0.947 325 P CB 0.161 30.566 31.700 -2.158 0.000 1.437 326 F N 0.283 119.947 119.950 -0.477 0.000 2.781 326 F HA 0.231 4.757 4.527 -0.001 0.000 0.322 326 F C 0.665 176.213 175.800 -0.420 0.000 1.108 326 F CA 0.252 58.036 58.000 -0.361 0.000 1.179 326 F CB 0.545 39.398 39.000 -0.246 0.000 1.072 326 F HN -0.203 nan 8.300 nan 0.000 0.545 327 T N -2.607 111.716 114.554 -0.386 0.000 2.900 327 T HA 0.289 4.638 4.350 -0.001 0.000 0.303 327 T C -2.348 172.077 174.700 -0.459 0.000 1.142 327 T CA -1.823 59.898 62.100 -0.631 0.000 1.007 327 T CB 2.346 70.999 68.868 -0.359 0.000 1.156 327 T HN -0.300 nan 8.240 nan 0.000 0.490 328 P HA 0.024 nan 4.420 nan 0.000 0.239 328 P C 0.154 177.384 177.300 -0.116 0.000 1.184 328 P CA 0.844 63.826 63.100 -0.198 0.000 0.760 328 P CB 0.028 31.668 31.700 -0.101 0.000 0.884 329 D N -1.700 118.627 120.400 -0.121 0.000 2.474 329 D HA 0.003 4.643 4.640 -0.001 0.000 0.213 329 D C 0.677 176.935 176.300 -0.070 0.000 1.120 329 D CA -0.366 53.595 54.000 -0.064 0.000 0.836 329 D CB -0.958 39.822 40.800 -0.032 0.000 1.019 329 D HN 0.034 nan 8.370 nan 0.000 0.507 330 L N 2.086 123.252 121.223 -0.095 0.000 2.536 330 L HA 0.486 4.826 4.340 -0.001 0.000 0.282 330 L C -0.128 176.605 176.870 -0.229 0.000 1.147 330 L CA -0.586 54.179 54.840 -0.125 0.000 0.936 330 L CB -0.475 41.552 42.059 -0.052 0.000 1.279 330 L HN 0.133 nan 8.230 nan 0.000 0.461 331 A N 5.492 128.187 122.820 -0.209 0.000 2.354 331 A HA 0.557 4.877 4.320 -0.001 0.000 0.269 331 A C -0.507 176.899 177.584 -0.297 0.000 1.109 331 A CA -0.285 51.686 52.037 -0.110 0.000 0.800 331 A CB 0.137 19.165 19.000 0.048 0.000 1.045 331 A HN 0.835 nan 8.150 nan 0.000 0.489 332 H N 1.175 120.338 119.070 0.155 0.000 2.865 332 H HA 0.344 4.899 4.556 -0.001 0.000 0.362 332 H C -2.838 172.358 175.328 -0.220 0.000 1.114 332 H CA -1.657 54.406 56.048 0.026 0.000 1.208 332 H CB 1.771 31.579 29.762 0.075 0.000 1.727 332 H HN 0.391 nan 8.280 nan 0.000 0.534 333 P HA -0.075 nan 4.420 nan 0.000 0.271 333 P C 1.452 178.636 177.300 -0.194 0.000 1.218 333 P CA -0.146 62.707 63.100 -0.412 0.000 0.780 333 P CB 1.085 32.613 31.700 -0.287 0.000 0.901 334 V N 0.802 120.601 119.914 -0.190 0.000 2.490 334 V HA -0.231 3.889 4.120 -0.001 0.000 0.250 334 V C 2.026 177.997 176.094 -0.204 0.000 1.061 334 V CA 1.953 64.148 62.300 -0.175 0.000 1.064 334 V CB -2.180 29.526 31.823 -0.195 0.000 0.670 334 V HN 0.516 nan 8.190 nan 0.000 0.461 335 A N 0.652 123.350 122.820 -0.203 0.000 1.917 335 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 335 A C 2.059 179.556 177.584 -0.146 0.000 1.182 335 A CA 2.456 54.380 52.037 -0.188 0.000 0.633 335 A CB -0.609 18.295 19.000 -0.160 0.000 0.819 335 A HN 0.644 nan 8.150 nan 0.000 0.448 336 E N -1.363 118.772 120.200 -0.109 0.000 2.447 336 E HA 0.105 4.454 4.350 -0.001 0.000 0.195 336 E C 1.557 178.107 176.600 -0.082 0.000 1.028 336 E CA 0.339 56.695 56.400 -0.073 0.000 0.876 336 E CB 0.162 29.851 29.700 -0.018 0.000 0.885 336 E HN 0.275 nan 8.360 nan 0.000 0.500 337 V N 0.278 120.118 119.914 -0.124 0.000 2.720 337 V HA -0.163 3.957 4.120 -0.001 0.000 0.256 337 V C 1.833 177.840 176.094 -0.144 0.000 1.082 337 V CA 2.051 64.239 62.300 -0.188 0.000 1.101 337 V CB -0.562 31.093 31.823 -0.280 0.000 0.693 337 V HN 0.423 nan 8.190 nan 0.000 0.479 338 G N -0.350 108.371 108.800 -0.131 0.000 2.545 338 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 338 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 338 G C 1.773 176.633 174.900 -0.067 0.000 1.218 338 G CA 1.227 46.269 45.100 -0.096 0.000 0.787 338 G HN 0.561 nan 8.290 nan 0.000 0.571 339 S N 0.280 115.938 115.700 -0.070 0.000 2.365 339 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 339 S C 2.517 177.066 174.600 -0.084 0.000 1.039 339 S CA 1.569 59.729 58.200 -0.067 0.000 1.033 339 S CB -0.507 62.657 63.200 -0.060 0.000 0.887 339 S HN 0.239 nan 8.310 nan 0.000 0.447 340 V N 2.420 122.284 119.914 -0.083 0.000 2.307 340 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 340 V C 2.752 178.684 176.094 -0.271 0.000 1.045 340 V CA 1.497 63.705 62.300 -0.154 0.000 1.024 340 V CB -1.635 30.145 31.823 -0.072 0.000 0.651 340 V HN 0.538 nan 8.190 nan 0.000 0.449 341 A N 1.364 124.180 122.820 -0.007 0.000 1.896 341 A HA -0.332 3.987 4.320 -0.001 0.000 0.220 341 A C 2.276 179.833 177.584 -0.045 0.000 1.206 341 A CA 2.595 54.724 52.037 0.152 0.000 0.647 341 A CB -0.662 18.466 19.000 0.213 0.000 0.828 341 A HN 0.798 nan 8.150 nan 0.000 0.455 342 E N -0.232 119.935 120.200 -0.055 0.000 2.046 342 E HA -0.246 4.103 4.350 -0.001 0.000 0.190 342 E C 1.927 178.457 176.600 -0.117 0.000 0.982 342 E CA 1.467 57.829 56.400 -0.063 0.000 0.800 342 E CB -0.426 29.247 29.700 -0.045 0.000 0.756 342 E HN 0.547 nan 8.360 nan 0.000 0.449 343 K N 1.658 121.969 120.400 -0.148 0.000 2.103 343 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 343 K C 1.875 178.335 176.600 -0.233 0.000 1.048 343 K CA 1.946 58.137 56.287 -0.161 0.000 0.930 343 K CB -0.043 32.371 32.500 -0.143 0.000 0.716 343 K HN 0.114 nan 8.250 nan 0.000 0.444 344 E N -1.251 118.697 120.200 -0.420 0.000 2.276 344 E HA 0.176 4.525 4.350 -0.001 0.000 0.193 344 E C 0.436 176.762 176.600 -0.456 0.000 0.983 344 E CA 1.002 57.030 56.400 -0.619 0.000 0.861 344 E CB 0.504 29.369 29.700 -1.392 0.000 0.817 344 E HN 0.481 nan 8.360 nan 0.000 0.485 345 G N 0.073 108.701 108.800 -0.286 0.000 2.173 345 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.174 345 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.174 345 G C -0.831 174.227 174.900 0.263 0.000 1.025 345 G CA -0.216 44.879 45.100 -0.009 0.000 0.706 345 G HN -0.013 nan 8.290 nan 0.000 0.499 346 W N 0.018 121.413 121.300 0.158 0.000 2.391 346 W HA 0.543 5.202 4.660 -0.001 0.000 0.311 346 W C -2.181 174.379 176.519 0.069 0.000 1.087 346 W CA -3.465 54.011 57.345 0.218 0.000 1.209 346 W CB 0.636 30.295 29.460 0.332 0.000 1.273 346 W HN -0.004 nan 8.180 nan 0.000 0.482 347 P HA -0.063 nan 4.420 nan 0.000 0.256 347 P C 1.070 178.416 177.300 0.076 0.000 1.173 347 P CA 0.659 63.786 63.100 0.045 0.000 0.768 347 P CB 0.461 32.116 31.700 -0.075 0.000 0.758 348 L N 2.037 123.289 121.223 0.048 0.000 2.240 348 L HA -0.014 4.326 4.340 -0.001 0.000 0.211 348 L C 0.855 177.718 176.870 -0.011 0.000 1.106 348 L CA 1.016 55.866 54.840 0.016 0.000 0.793 348 L CB -0.080 41.984 42.059 0.008 0.000 0.927 348 L HN 0.335 nan 8.230 nan 0.000 0.446 349 D N -0.456 119.940 120.400 -0.007 0.000 2.225 349 D HA 0.281 4.921 4.640 -0.001 0.000 0.248 349 D C -0.241 176.054 176.300 -0.008 0.000 1.096 349 D CA -0.335 53.656 54.000 -0.015 0.000 0.863 349 D CB 1.038 41.831 40.800 -0.013 0.000 1.156 349 D HN -0.058 nan 8.370 nan 0.000 0.450 350 I N 4.178 124.738 120.570 -0.017 0.000 2.436 350 I HA 0.113 4.283 4.170 -0.001 0.000 0.289 350 I C 1.418 177.543 176.117 0.013 0.000 1.083 350 I CA -0.180 61.118 61.300 -0.004 0.000 1.372 350 I CB 1.051 39.034 38.000 -0.027 0.000 1.408 350 I HN 0.471 nan 8.210 nan 0.000 0.516 351 R N 5.321 125.844 120.500 0.037 0.000 2.054 351 R HA 0.106 4.446 4.340 -0.001 0.000 0.223 351 R C -0.140 176.211 176.300 0.085 0.000 1.176 351 R CA 1.217 57.349 56.100 0.052 0.000 0.934 351 R CB 0.101 30.435 30.300 0.056 0.000 0.828 351 R HN 0.479 nan 8.270 nan 0.000 0.441 352 V N 0.151 120.140 119.914 0.126 0.000 2.555 352 V HA 0.617 4.736 4.120 -0.001 0.000 0.302 352 V C 0.082 176.254 176.094 0.129 0.000 1.038 352 V CA -0.734 61.667 62.300 0.170 0.000 0.887 352 V CB 1.504 33.509 31.823 0.303 0.000 0.991 352 V HN 0.460 nan 8.190 nan 0.000 0.434 353 G N 3.908 112.797 108.800 0.149 0.000 2.368 353 G HA2 0.682 4.641 3.960 -0.001 0.000 0.320 353 G HA3 0.682 4.641 3.960 -0.001 0.000 0.320 353 G C -1.327 173.667 174.900 0.158 0.000 1.158 353 G CA -0.404 44.785 45.100 0.148 0.000 0.912 353 G HN 0.479 nan 8.290 nan 0.000 0.456 354 L N 3.236 124.444 121.223 -0.025 0.000 2.372 354 L HA 0.549 4.889 4.340 -0.001 0.000 0.274 354 L C 0.283 177.040 176.870 -0.189 0.000 0.988 354 L CA -0.645 54.092 54.840 -0.171 0.000 0.833 354 L CB 1.638 43.475 42.059 -0.369 0.000 1.236 354 L HN 0.652 nan 8.230 nan 0.000 0.410 355 I N -0.543 119.967 120.570 -0.100 0.000 2.982 355 I HA 1.082 5.251 4.170 -0.001 0.000 0.312 355 I C 0.722 176.870 176.117 0.051 0.000 1.041 355 I CA -0.499 60.790 61.300 -0.018 0.000 1.053 355 I CB 1.915 39.926 38.000 0.018 0.000 1.248 355 I HN 0.678 nan 8.210 nan 0.000 0.471 356 G N 2.066 110.921 108.800 0.093 0.000 2.443 356 G HA2 0.273 4.232 3.960 -0.001 0.000 0.209 356 G HA3 0.273 4.232 3.960 -0.001 0.000 0.209 356 G C -0.094 174.857 174.900 0.085 0.000 1.176 356 G CA 0.397 45.535 45.100 0.064 0.000 1.074 356 G HN 2.676 nan 8.290 nan 0.000 0.577 357 S N -3.209 112.452 115.700 -0.064 0.000 3.795 357 S HA -0.128 4.341 4.470 -0.001 0.000 0.639 357 S C 1.958 176.484 174.600 -0.123 0.000 2.014 357 S CA 1.955 60.019 58.200 -0.226 0.000 2.183 357 S CB -1.715 61.188 63.200 -0.495 0.000 0.328 357 S HN 2.858 nan 8.310 nan 0.000 1.794 358 C N -0.719 118.505 119.300 -0.126 0.000 2.539 358 C HA 0.359 4.819 4.460 -0.001 0.000 0.268 358 C C 2.575 177.544 174.990 -0.036 0.000 1.395 358 C CA 0.967 59.952 59.018 -0.055 0.000 1.757 358 C CB -2.104 25.641 27.740 0.009 0.000 1.851 358 C HN 0.926 nan 8.230 nan 0.000 0.545 359 T N 0.875 115.398 114.554 -0.051 0.000 2.896 359 T HA -0.025 4.324 4.350 -0.001 0.000 0.263 359 T C 0.516 175.215 174.700 -0.002 0.000 1.050 359 T CA 1.359 63.442 62.100 -0.027 0.000 1.140 359 T CB -0.420 68.436 68.868 -0.020 0.000 0.877 359 T HN 0.694 nan 8.240 nan 0.000 0.457 360 N N 0.599 119.310 118.700 0.019 0.000 2.725 360 N HA 0.355 5.095 4.740 -0.001 0.000 0.248 360 N C -0.779 174.746 175.510 0.025 0.000 1.402 360 N CA -0.104 52.961 53.050 0.025 0.000 0.766 360 N CB 1.276 39.789 38.487 0.044 0.000 1.223 360 N HN 0.004 nan 8.380 nan 0.000 0.515 361 S N 0.292 116.003 115.700 0.018 0.000 2.828 361 S HA 0.132 4.601 4.470 -0.001 0.000 0.240 361 S C -0.121 174.516 174.600 0.060 0.000 0.912 361 S CA -0.530 57.687 58.200 0.027 0.000 1.100 361 S CB -0.397 62.806 63.200 0.005 0.000 1.271 361 S HN 0.437 nan 8.310 nan 0.000 0.476 362 S N 0.275 116.020 115.700 0.075 0.000 2.655 362 S HA 0.377 4.847 4.470 -0.001 0.000 0.265 362 S C 0.850 175.591 174.600 0.235 0.000 1.240 362 S CA -0.492 57.801 58.200 0.155 0.000 0.986 362 S CB 0.172 63.445 63.200 0.121 0.000 0.985 362 S HN 0.471 nan 8.310 nan 0.000 0.562 363 Y N 0.513 120.958 120.300 0.241 0.000 2.165 363 Y HA -0.141 4.408 4.550 -0.001 0.000 0.286 363 Y C 2.556 178.556 175.900 0.166 0.000 1.155 363 Y CA 2.300 60.565 58.100 0.275 0.000 1.164 363 Y CB -0.321 38.340 38.460 0.336 0.000 0.978 363 Y HN 0.961 nan 8.280 nan 0.000 0.513 364 E N -0.180 120.177 120.200 0.262 0.000 2.085 364 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 364 E C 1.689 178.268 176.600 -0.036 0.000 0.994 364 E CA 1.642 58.101 56.400 0.098 0.000 0.801 364 E CB -0.130 29.628 29.700 0.097 0.000 0.743 364 E HN 0.539 nan 8.360 nan 0.000 0.453 365 D N 0.019 120.415 120.400 -0.007 0.000 2.084 365 D HA -0.163 4.476 4.640 -0.001 0.000 0.196 365 D C 2.005 178.245 176.300 -0.099 0.000 0.985 365 D CA 1.022 54.999 54.000 -0.038 0.000 0.826 365 D CB -0.163 40.637 40.800 0.000 0.000 0.978 365 D HN 0.237 nan 8.370 nan 0.000 0.456 366 M N 0.687 120.227 119.600 -0.101 0.000 2.108 366 M HA -0.081 4.399 4.480 -0.001 0.000 0.261 366 M C 2.398 178.415 176.300 -0.471 0.000 1.066 366 M CA 1.235 56.440 55.300 -0.160 0.000 1.107 366 M CB -1.666 30.920 32.600 -0.024 0.000 1.356 366 M HN 0.031 nan 8.290 nan 0.000 0.406 367 G N 0.028 108.368 108.800 -0.766 0.000 2.421 367 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 367 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 367 G C 1.833 176.397 174.900 -0.560 0.000 1.171 367 G CA 0.476 44.878 45.100 -1.163 0.000 0.775 367 G HN 0.378 nan 8.290 nan 0.000 0.543 368 R N 0.478 120.788 120.500 -0.317 0.000 2.075 368 R HA -0.018 4.322 4.340 -0.001 0.000 0.232 368 R C 2.962 179.153 176.300 -0.181 0.000 1.126 368 R CA 1.323 57.291 56.100 -0.220 0.000 0.963 368 R CB -0.630 29.576 30.300 -0.157 0.000 0.858 368 R HN 0.328 nan 8.270 nan 0.000 0.435 369 S N 1.117 116.735 115.700 -0.138 0.000 2.359 369 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 369 S C 2.132 176.699 174.600 -0.055 0.000 1.035 369 S CA 1.349 59.524 58.200 -0.042 0.000 1.018 369 S CB -0.224 62.992 63.200 0.027 0.000 0.876 369 S HN 0.478 nan 8.310 nan 0.000 0.448 370 A N 1.566 124.294 122.820 -0.154 0.000 1.902 370 A HA 0.078 4.397 4.320 -0.001 0.000 0.217 370 A C 2.315 179.841 177.584 -0.097 0.000 1.181 370 A CA 1.701 53.667 52.037 -0.120 0.000 0.623 370 A CB -1.044 17.806 19.000 -0.250 0.000 0.818 370 A HN 0.535 nan 8.150 nan 0.000 0.443 371 A N -0.925 121.801 122.820 -0.156 0.000 2.125 371 A HA 0.132 4.452 4.320 -0.001 0.000 0.219 371 A C 2.058 179.603 177.584 -0.065 0.000 1.156 371 A CA 1.622 53.594 52.037 -0.109 0.000 0.671 371 A CB -0.460 18.450 19.000 -0.149 0.000 0.794 371 A HN 0.353 nan 8.150 nan 0.000 0.459 372 V N -0.942 118.945 119.914 -0.045 0.000 2.492 372 V HA -0.045 4.074 4.120 -0.001 0.000 0.241 372 V C 2.963 179.091 176.094 0.055 0.000 1.041 372 V CA 1.300 63.615 62.300 0.026 0.000 1.057 372 V CB -0.921 30.940 31.823 0.063 0.000 0.711 372 V HN 0.552 nan 8.190 nan 0.000 0.468 373 A N 1.557 124.397 122.820 0.034 0.000 1.884 373 A HA -0.321 3.998 4.320 -0.001 0.000 0.219 373 A C 2.261 179.874 177.584 0.048 0.000 1.197 373 A CA 2.649 54.709 52.037 0.039 0.000 0.637 373 A CB -0.719 18.319 19.000 0.062 0.000 0.827 373 A HN 0.665 nan 8.150 nan 0.000 0.450 374 K N -0.382 120.040 120.400 0.036 0.000 2.173 374 K HA -0.296 4.023 4.320 -0.001 0.000 0.207 374 K C 1.806 178.426 176.600 0.034 0.000 1.046 374 K CA 2.098 58.401 56.287 0.027 0.000 0.929 374 K CB -0.359 32.150 32.500 0.015 0.000 0.720 374 K HN 0.660 nan 8.250 nan 0.000 0.453 375 Q N 0.101 119.951 119.800 0.083 0.000 2.163 375 Q HA 0.080 4.419 4.340 -0.001 0.000 0.198 375 Q C 2.315 178.443 176.000 0.213 0.000 0.954 375 Q CA 0.955 56.844 55.803 0.143 0.000 0.851 375 Q CB -0.010 28.883 28.738 0.258 0.000 0.928 375 Q HN 0.506 nan 8.270 nan 0.000 0.459 376 A N 1.178 124.127 122.820 0.214 0.000 1.877 376 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 376 A C 2.076 179.738 177.584 0.130 0.000 1.186 376 A CA 1.095 53.269 52.037 0.229 0.000 0.620 376 A CB -0.754 18.317 19.000 0.118 0.000 0.822 376 A HN 0.278 nan 8.150 nan 0.000 0.443 377 L N -0.671 120.589 121.223 0.061 0.000 2.042 377 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 377 L C 2.831 179.677 176.870 -0.039 0.000 1.076 377 L CA 1.060 55.909 54.840 0.016 0.000 0.749 377 L CB -0.572 41.493 42.059 0.009 0.000 0.893 377 L HN 0.434 nan 8.230 nan 0.000 0.432 378 A N -1.158 121.608 122.820 -0.090 0.000 2.259 378 A HA -0.155 4.164 4.320 -0.001 0.000 0.212 378 A C 0.721 177.962 177.584 -0.573 0.000 1.178 378 A CA 1.055 52.923 52.037 -0.282 0.000 0.734 378 A CB -0.858 17.957 19.000 -0.308 0.000 0.774 378 A HN 0.594 nan 8.150 nan 0.000 0.481 379 H N -2.237 116.716 119.070 -0.194 0.000 2.777 379 H HA 0.391 4.947 4.556 -0.001 0.000 0.244 379 H C 1.194 176.486 175.328 -0.059 0.000 1.185 379 H CA -0.088 55.849 56.048 -0.186 0.000 0.945 379 H CB 0.170 29.726 29.762 -0.343 0.000 1.994 379 H HN 0.398 nan 8.280 nan 0.000 0.638 380 G N 1.186 109.992 108.800 0.010 0.000 2.258 380 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.274 380 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.274 380 G C -0.037 174.891 174.900 0.045 0.000 1.021 380 G CA 0.455 45.567 45.100 0.019 0.000 0.798 380 G HN 0.344 nan 8.290 nan 0.000 0.507 381 L N -1.226 120.039 121.223 0.071 0.000 2.375 381 L HA 0.843 5.182 4.340 -0.001 0.000 0.268 381 L C 0.495 177.384 176.870 0.031 0.000 1.058 381 L CA -0.817 54.060 54.840 0.062 0.000 0.803 381 L CB 1.836 43.954 42.059 0.100 0.000 1.212 381 L HN 0.255 nan 8.230 nan 0.000 0.451 382 K N -0.281 120.121 120.400 0.004 0.000 2.428 382 K HA 0.449 4.768 4.320 -0.001 0.000 0.279 382 K C -1.602 174.967 176.600 -0.052 0.000 1.041 382 K CA -0.714 55.566 56.287 -0.011 0.000 0.887 382 K CB 1.810 34.314 32.500 0.008 0.000 1.535 382 K HN 0.567 nan 8.250 nan 0.000 0.417 383 C N 2.946 122.204 119.300 -0.069 0.000 2.624 383 C HA 0.147 4.607 4.460 -0.001 0.000 0.397 383 C C 1.628 176.577 174.990 -0.068 0.000 1.331 383 C CA -0.233 58.714 59.018 -0.118 0.000 1.716 383 C CB -0.079 27.578 27.740 -0.137 0.000 2.452 383 C HN 0.721 nan 8.230 nan 0.000 0.586 384 K N 1.540 121.884 120.400 -0.092 0.000 2.288 384 K HA -0.014 4.306 4.320 -0.001 0.000 0.201 384 K C 0.734 177.308 176.600 -0.043 0.000 1.048 384 K CA 0.766 57.014 56.287 -0.065 0.000 0.956 384 K CB 0.249 32.695 32.500 -0.090 0.000 0.746 384 K HN 0.713 nan 8.250 nan 0.000 0.461 385 S N 0.468 116.139 115.700 -0.049 0.000 2.718 385 S HA 0.218 4.688 4.470 -0.001 0.000 0.300 385 S C -0.300 174.327 174.600 0.046 0.000 1.117 385 S CA -0.783 57.416 58.200 -0.003 0.000 1.002 385 S CB 2.069 65.265 63.200 -0.007 0.000 1.092 385 S HN 0.096 nan 8.310 nan 0.000 0.542 386 Q N 0.656 120.511 119.800 0.093 0.000 2.352 386 Q HA 0.291 4.630 4.340 -0.001 0.000 0.260 386 Q C -1.719 174.419 176.000 0.230 0.000 0.976 386 Q CA 0.317 56.207 55.803 0.144 0.000 0.881 386 Q CB 0.500 29.324 28.738 0.142 0.000 1.235 386 Q HN 0.571 nan 8.270 nan 0.000 0.419 387 F N 2.271 122.241 119.950 0.033 0.000 2.536 387 F HA 0.339 4.866 4.527 -0.001 0.000 0.322 387 F C -0.812 174.990 175.800 0.004 0.000 1.144 387 F CA -0.613 57.394 58.000 0.012 0.000 0.924 387 F CB 1.471 40.475 39.000 0.007 0.000 1.181 387 F HN 0.407 nan 8.300 nan 0.000 0.438 388 T N 3.799 118.224 114.554 -0.215 0.000 2.908 388 T HA 0.812 5.162 4.350 -0.001 0.000 0.290 388 T C -0.762 173.663 174.700 -0.458 0.000 1.034 388 T CA -0.699 61.216 62.100 -0.307 0.000 1.010 388 T CB 2.137 70.883 68.868 -0.203 0.000 1.068 388 T HN 0.430 nan 8.240 nan 0.000 0.481 389 I N 1.666 122.017 120.570 -0.365 0.000 2.418 389 I HA 0.389 4.558 4.170 -0.001 0.000 0.287 389 I C -0.149 175.870 176.117 -0.163 0.000 1.008 389 I CA -0.387 60.734 61.300 -0.298 0.000 1.104 389 I CB 2.258 40.080 38.000 -0.297 0.000 1.264 389 I HN 0.717 nan 8.210 nan 0.000 0.438 390 T N 7.604 122.095 114.554 -0.106 0.000 2.772 390 T HA 0.401 4.751 4.350 -0.001 0.000 0.288 390 T C -2.555 172.105 174.700 -0.067 0.000 0.994 390 T CA -1.363 60.681 62.100 -0.093 0.000 0.951 390 T CB 1.315 70.116 68.868 -0.112 0.000 0.933 390 T HN 0.160 nan 8.240 nan 0.000 0.447 391 P HA 0.210 nan 4.420 nan 0.000 0.271 391 P C 0.998 178.269 177.300 -0.048 0.000 1.216 391 P CA -0.160 62.923 63.100 -0.029 0.000 0.771 391 P CB 0.663 32.357 31.700 -0.010 0.000 0.864 392 G N 1.562 110.336 108.800 -0.043 0.000 2.464 392 G HA2 0.015 3.974 3.960 -0.001 0.000 0.217 392 G HA3 0.015 3.974 3.960 -0.001 0.000 0.217 392 G C 0.300 175.153 174.900 -0.079 0.000 1.138 392 G CA 0.543 45.602 45.100 -0.069 0.000 0.793 392 G HN 0.643 nan 8.290 nan 0.000 0.539 393 S N -1.648 114.018 115.700 -0.057 0.000 2.638 393 S HA 0.469 4.939 4.470 -0.001 0.000 0.274 393 S C 0.422 175.010 174.600 -0.020 0.000 1.157 393 S CA -0.172 57.990 58.200 -0.062 0.000 0.826 393 S CB 2.115 65.253 63.200 -0.103 0.000 1.139 393 S HN -0.079 nan 8.310 nan 0.000 0.474 394 E N 0.912 121.114 120.200 0.002 0.000 2.072 394 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 394 E C 1.960 178.580 176.600 0.034 0.000 0.985 394 E CA 2.048 58.466 56.400 0.029 0.000 0.801 394 E CB -0.358 29.376 29.700 0.057 0.000 0.750 394 E HN 0.731 nan 8.360 nan 0.000 0.452 395 Q N -0.328 119.483 119.800 0.018 0.000 2.096 395 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 395 Q C 1.867 177.895 176.000 0.047 0.000 0.982 395 Q CA 1.643 57.451 55.803 0.008 0.000 0.850 395 Q CB -0.115 28.574 28.738 -0.082 0.000 0.901 395 Q HN 0.324 nan 8.270 nan 0.000 0.422 396 I N 0.637 121.226 120.570 0.033 0.000 2.439 396 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 396 I C 2.501 178.692 176.117 0.124 0.000 1.139 396 I CA 1.145 62.519 61.300 0.123 0.000 1.438 396 I CB -1.034 37.024 38.000 0.096 0.000 1.085 396 I HN 0.332 nan 8.210 nan 0.000 0.427 397 R N 1.078 121.620 120.500 0.070 0.000 2.070 397 R HA -0.158 4.182 4.340 -0.001 0.000 0.233 397 R C 2.371 178.711 176.300 0.067 0.000 1.137 397 R CA 1.757 57.891 56.100 0.057 0.000 0.945 397 R CB -0.149 30.169 30.300 0.031 0.000 0.845 397 R HN 0.266 nan 8.270 nan 0.000 0.430 398 A N 0.185 123.045 122.820 0.066 0.000 1.873 398 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 398 A C 2.231 179.864 177.584 0.081 0.000 1.193 398 A CA 2.381 54.456 52.037 0.064 0.000 0.629 398 A CB -1.143 17.894 19.000 0.062 0.000 0.826 398 A HN 0.514 nan 8.150 nan 0.000 0.447 399 T N 0.653 115.291 114.554 0.140 0.000 2.777 399 T HA -0.109 4.240 4.350 -0.001 0.000 0.266 399 T C 1.820 176.600 174.700 0.134 0.000 1.040 399 T CA 1.655 63.860 62.100 0.175 0.000 1.141 399 T CB -0.594 68.491 68.868 0.362 0.000 0.868 399 T HN 0.724 nan 8.240 nan 0.000 0.444 400 I N 0.045 120.698 120.570 0.139 0.000 2.761 400 I HA 0.140 4.310 4.170 -0.001 0.000 0.261 400 I C 2.348 178.446 176.117 -0.031 0.000 1.198 400 I CA 1.132 62.449 61.300 0.028 0.000 1.482 400 I CB -0.300 37.808 38.000 0.179 0.000 1.100 400 I HN 0.020 nan 8.210 nan 0.000 0.445 401 E N 2.157 122.366 120.200 0.016 0.000 2.015 401 E HA -0.241 4.109 4.350 -0.001 0.000 0.191 401 E C 2.454 179.038 176.600 -0.027 0.000 0.991 401 E CA 1.354 57.756 56.400 0.005 0.000 0.802 401 E CB -0.350 29.362 29.700 0.020 0.000 0.759 401 E HN 0.330 nan 8.360 nan 0.000 0.447 402 R N 0.598 121.086 120.500 -0.020 0.000 2.096 402 R HA -0.173 4.167 4.340 -0.001 0.000 0.240 402 R C 0.615 176.866 176.300 -0.081 0.000 1.139 402 R CA 2.019 58.099 56.100 -0.034 0.000 0.952 402 R CB -0.666 29.627 30.300 -0.011 0.000 0.854 402 R HN 0.244 nan 8.270 nan 0.000 0.436 403 D N -1.083 119.224 120.400 -0.155 0.000 2.336 403 D HA 0.109 4.748 4.640 -0.001 0.000 0.229 403 D C 1.063 177.163 176.300 -0.333 0.000 1.061 403 D CA 0.958 54.803 54.000 -0.259 0.000 0.875 403 D CB 0.336 40.915 40.800 -0.368 0.000 0.904 403 D HN 0.592 nan 8.370 nan 0.000 0.525 404 G N 0.457 109.134 108.800 -0.205 0.000 2.241 404 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.244 404 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.244 404 G C 1.017 175.921 174.900 0.007 0.000 0.998 404 G CA 0.195 45.243 45.100 -0.086 0.000 0.621 404 G HN 0.254 nan 8.290 nan 0.000 0.519 405 Y N 0.749 121.031 120.300 -0.030 0.000 2.151 405 Y HA 0.085 4.635 4.550 -0.001 0.000 0.284 405 Y C 3.189 179.080 175.900 -0.015 0.000 1.166 405 Y CA 1.493 59.568 58.100 -0.042 0.000 1.163 405 Y CB -1.262 37.142 38.460 -0.093 0.000 0.974 405 Y HN 0.498 nan 8.280 nan 0.000 0.511 406 A N -0.457 122.442 122.820 0.131 0.000 1.972 406 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 406 A C 2.204 179.825 177.584 0.062 0.000 1.169 406 A CA 1.837 53.921 52.037 0.077 0.000 0.635 406 A CB -0.597 18.430 19.000 0.046 0.000 0.810 406 A HN 0.410 nan 8.150 nan 0.000 0.446 407 Q N -0.301 119.534 119.800 0.058 0.000 2.137 407 Q HA -0.037 4.302 4.340 -0.001 0.000 0.198 407 Q C 1.850 177.888 176.000 0.064 0.000 0.960 407 Q CA 1.662 57.495 55.803 0.050 0.000 0.847 407 Q CB -0.479 28.280 28.738 0.035 0.000 0.915 407 Q HN 0.343 nan 8.270 nan 0.000 0.448 408 V N 0.652 120.615 119.914 0.082 0.000 2.332 408 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 408 V C 2.187 178.343 176.094 0.103 0.000 1.055 408 V CA 1.742 64.092 62.300 0.084 0.000 1.038 408 V CB -0.637 31.243 31.823 0.096 0.000 0.651 408 V HN 0.387 nan 8.190 nan 0.000 0.450 409 L N -0.919 120.376 121.223 0.120 0.000 2.179 409 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 409 L C 2.745 179.705 176.870 0.150 0.000 1.096 409 L CA 1.289 56.233 54.840 0.173 0.000 0.779 409 L CB -0.624 41.505 42.059 0.116 0.000 0.922 409 L HN 0.235 nan 8.230 nan 0.000 0.443 410 R N 0.231 120.785 120.500 0.090 0.000 2.075 410 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 410 R C 1.885 178.235 176.300 0.083 0.000 1.126 410 R CA 1.457 57.602 56.100 0.076 0.000 0.963 410 R CB -0.232 30.097 30.300 0.049 0.000 0.858 410 R HN 0.303 nan 8.270 nan 0.000 0.435 411 D N 0.095 120.539 120.400 0.074 0.000 2.123 411 D HA -0.133 4.507 4.640 -0.001 0.000 0.196 411 D C 1.808 178.148 176.300 0.067 0.000 0.992 411 D CA 1.404 55.440 54.000 0.060 0.000 0.833 411 D CB -0.126 40.703 40.800 0.048 0.000 0.954 411 D HN 0.172 nan 8.370 nan 0.000 0.455 412 V N -2.903 117.063 119.914 0.087 0.000 3.444 412 V HA 0.310 4.429 4.120 -0.001 0.000 0.271 412 V C 1.508 177.658 176.094 0.093 0.000 1.188 412 V CA 0.819 63.158 62.300 0.065 0.000 1.168 412 V CB -0.505 31.331 31.823 0.021 0.000 0.810 412 V HN 0.268 nan 8.190 nan 0.000 0.500 413 G N -0.943 107.941 108.800 0.140 0.000 2.148 413 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.157 413 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.157 413 G C 0.351 175.383 174.900 0.220 0.000 1.012 413 G CA -0.342 44.843 45.100 0.141 0.000 0.677 413 G HN 1.204 nan 8.290 nan 0.000 0.506 414 G N -0.337 108.639 108.800 0.294 0.000 2.476 414 G HA2 0.606 4.565 3.960 -0.001 0.000 0.269 414 G HA3 0.606 4.565 3.960 -0.001 0.000 0.269 414 G C -0.026 174.885 174.900 0.018 0.000 1.195 414 G CA -0.245 44.963 45.100 0.180 0.000 0.843 414 G HN 0.984 nan 8.290 nan 0.000 0.545 415 I N 1.732 122.269 120.570 -0.055 0.000 2.418 415 I HA 0.426 4.596 4.170 -0.001 0.000 0.287 415 I C -0.735 175.325 176.117 -0.096 0.000 1.008 415 I CA -0.678 60.598 61.300 -0.039 0.000 1.104 415 I CB 1.750 39.754 38.000 0.007 0.000 1.264 415 I HN 0.152 nan 8.210 nan 0.000 0.438 416 V N 8.099 127.970 119.914 -0.071 0.000 2.427 416 V HA 0.234 4.353 4.120 -0.001 0.000 0.268 416 V C 0.744 176.800 176.094 -0.063 0.000 1.046 416 V CA -0.316 61.937 62.300 -0.079 0.000 0.970 416 V CB 0.681 32.475 31.823 -0.047 0.000 1.001 416 V HN 0.596 nan 8.190 nan 0.000 0.476 417 L N 3.680 124.854 121.223 -0.082 0.000 2.479 417 L HA 0.621 4.960 4.340 -0.001 0.000 0.249 417 L C 1.074 177.911 176.870 -0.056 0.000 1.178 417 L CA -0.421 54.375 54.840 -0.073 0.000 0.811 417 L CB 0.495 42.486 42.059 -0.113 0.000 1.187 417 L HN 0.710 nan 8.230 nan 0.000 0.480 418 A N 0.593 123.386 122.820 -0.044 0.000 2.406 418 A HA 0.111 4.430 4.320 -0.001 0.000 0.243 418 A C -0.029 177.525 177.584 -0.050 0.000 1.082 418 A CA -0.419 51.597 52.037 -0.034 0.000 0.786 418 A CB -0.107 18.881 19.000 -0.019 0.000 1.029 418 A HN 0.761 nan 8.150 nan 0.000 0.495 419 N N 1.027 119.702 118.700 -0.042 0.000 2.895 419 N HA 0.434 5.173 4.740 -0.001 0.000 0.277 419 N C -0.421 175.050 175.510 -0.064 0.000 1.185 419 N CA 0.719 53.737 53.050 -0.054 0.000 1.106 419 N CB 0.227 38.690 38.487 -0.040 0.000 1.422 419 N HN 0.776 nan 8.380 nan 0.000 0.521 420 A N -0.510 122.260 122.820 -0.083 0.000 2.594 420 A HA 0.349 4.668 4.320 -0.001 0.000 0.295 420 A C 0.939 178.433 177.584 -0.151 0.000 1.071 420 A CA -0.715 51.269 52.037 -0.088 0.000 0.685 420 A CB 0.397 19.367 19.000 -0.050 0.000 1.285 420 A HN 0.437 nan 8.150 nan 0.000 0.405 421 C N 0.595 119.771 119.300 -0.205 0.000 2.363 421 C HA 0.153 4.612 4.460 -0.001 0.000 0.274 421 C C 2.417 177.234 174.990 -0.290 0.000 1.183 421 C CA 1.903 60.735 59.018 -0.309 0.000 1.771 421 C CB -1.691 25.760 27.740 -0.481 0.000 2.059 421 C HN 2.244 nan 8.230 nan 0.000 0.455 422 G N 0.910 109.588 108.800 -0.203 0.000 2.611 422 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.301 422 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.301 422 G C -1.168 173.638 174.900 -0.155 0.000 1.233 422 G CA 0.571 45.578 45.100 -0.155 0.000 0.993 422 G HN 0.310 nan 8.290 nan 0.000 0.553 423 P HA -0.047 nan 4.420 nan 0.000 0.227 423 P C 1.920 179.211 177.300 -0.015 0.000 1.145 423 P CA 1.590 64.609 63.100 -0.135 0.000 0.769 423 P CB -0.377 30.912 31.700 -0.685 0.000 0.769 424 C N -0.629 118.524 119.300 -0.245 0.000 2.450 424 C HA -0.030 4.430 4.460 -0.001 0.000 0.279 424 C C 2.074 176.988 174.990 -0.126 0.000 1.335 424 C CA 0.393 59.215 59.018 -0.328 0.000 1.749 424 C CB -1.524 25.776 27.740 -0.734 0.000 1.963 424 C HN 0.111 nan 8.230 nan 0.000 0.501 425 I N 0.236 120.736 120.570 -0.116 0.000 3.956 425 I HA 0.384 4.553 4.170 -0.001 0.000 0.333 425 I C 1.627 177.773 176.117 0.049 0.000 1.302 425 I CA 1.059 62.339 61.300 -0.033 0.000 1.122 425 I CB -0.665 37.298 38.000 -0.061 0.000 1.013 425 I HN 0.300 nan 8.210 nan 0.000 0.405 426 G N 1.128 109.983 108.800 0.091 0.000 2.141 426 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.231 426 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.231 426 G C 0.364 175.368 174.900 0.173 0.000 0.984 426 G CA -0.026 45.174 45.100 0.167 0.000 0.660 426 G HN 0.390 nan 8.290 nan 0.000 0.525 427 Q N -0.319 119.555 119.800 0.124 0.000 2.844 427 Q HA 0.528 4.868 4.340 -0.001 0.000 0.235 427 Q C -0.852 175.270 176.000 0.203 0.000 1.336 427 Q CA -0.626 55.243 55.803 0.111 0.000 1.026 427 Q CB -0.208 28.550 28.738 0.033 0.000 1.513 427 Q HN 0.424 nan 8.270 nan 0.000 0.577 428 W N 3.251 124.555 121.300 0.006 0.000 3.423 428 W HA 0.253 4.913 4.660 -0.001 0.000 0.330 428 W C -1.677 174.850 176.519 0.014 0.000 1.102 428 W CA -1.390 55.964 57.345 0.014 0.000 1.261 428 W CB 1.271 30.749 29.460 0.030 0.000 1.283 428 W HN 0.273 nan 8.180 nan 0.000 0.447 429 D N 5.294 125.799 120.400 0.176 0.000 2.517 429 D HA 0.112 4.752 4.640 -0.001 0.000 0.220 429 D C 0.169 176.325 176.300 -0.239 0.000 1.158 429 D CA -0.085 53.897 54.000 -0.030 0.000 0.992 429 D CB 0.254 41.076 40.800 0.036 0.000 1.058 429 D HN 0.433 nan 8.370 nan 0.000 0.516 430 R N 2.148 122.260 120.500 -0.647 0.000 2.490 430 R HA 0.220 4.559 4.340 -0.001 0.000 0.278 430 R C 0.546 176.621 176.300 -0.376 0.000 1.069 430 R CA -0.184 55.377 56.100 -0.898 0.000 1.080 430 R CB 0.895 30.329 30.300 -1.444 0.000 1.030 430 R HN 0.070 nan 8.270 nan 0.000 0.491 431 K N 0.776 121.041 120.400 -0.225 0.000 2.562 431 K HA 0.043 4.363 4.320 -0.001 0.000 0.218 431 K C 0.368 176.921 176.600 -0.077 0.000 1.374 431 K CA 0.520 56.737 56.287 -0.118 0.000 0.996 431 K CB 0.476 32.942 32.500 -0.057 0.000 1.127 431 K HN 0.792 nan 8.250 nan 0.000 0.603 432 D N 0.865 121.224 120.400 -0.068 0.000 2.310 432 D HA -0.089 4.551 4.640 -0.001 0.000 0.212 432 D C 0.631 176.909 176.300 -0.037 0.000 0.965 432 D CA 0.507 54.489 54.000 -0.029 0.000 0.879 432 D CB -0.082 40.721 40.800 0.005 0.000 0.921 432 D HN 0.338 nan 8.370 nan 0.000 0.510 433 I N -2.861 117.668 120.570 -0.068 0.000 2.693 433 I HA 0.410 4.579 4.170 -0.001 0.000 0.303 433 I C -0.278 175.806 176.117 -0.056 0.000 1.025 433 I CA -1.543 59.725 61.300 -0.052 0.000 1.086 433 I CB 1.945 39.914 38.000 -0.051 0.000 1.268 433 I HN -0.349 nan 8.210 nan 0.000 0.440 434 K N 2.440 122.820 120.400 -0.032 0.000 2.185 434 K HA 0.282 4.601 4.320 -0.001 0.000 0.271 434 K C -0.226 176.361 176.600 -0.021 0.000 1.013 434 K CA -0.671 55.602 56.287 -0.024 0.000 0.943 434 K CB 0.810 33.303 32.500 -0.012 0.000 0.998 434 K HN 0.607 nan 8.250 nan 0.000 0.468 435 K N 1.401 121.791 120.400 -0.018 0.000 2.382 435 K HA 0.137 4.457 4.320 -0.001 0.000 0.275 435 K C 0.615 177.222 176.600 0.011 0.000 1.009 435 K CA 1.458 57.741 56.287 -0.006 0.000 0.970 435 K CB 0.485 32.982 32.500 -0.004 0.000 0.934 435 K HN 0.771 nan 8.250 nan 0.000 0.479 436 G N 2.339 111.155 108.800 0.026 0.000 2.225 436 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.254 436 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.254 436 G C -0.070 174.856 174.900 0.043 0.000 0.988 436 G CA 0.222 45.345 45.100 0.039 0.000 0.625 436 G HN 0.631 nan 8.290 nan 0.000 0.527 437 E N 0.902 121.119 120.200 0.028 0.000 2.481 437 E HA 0.157 4.507 4.350 -0.001 0.000 0.263 437 E C 0.437 177.060 176.600 0.039 0.000 0.992 437 E CA 0.340 56.754 56.400 0.024 0.000 0.938 437 E CB 0.442 30.146 29.700 0.007 0.000 0.933 437 E HN 0.367 nan 8.360 nan 0.000 0.453 438 K N 4.196 124.612 120.400 0.026 0.000 2.262 438 K HA 0.099 4.418 4.320 -0.001 0.000 0.282 438 K C -0.592 175.978 176.600 -0.050 0.000 1.066 438 K CA -0.327 55.966 56.287 0.010 0.000 0.901 438 K CB 0.279 32.780 32.500 0.002 0.000 1.089 438 K HN 0.546 nan 8.250 nan 0.000 0.476 439 N N 1.666 120.329 118.700 -0.061 0.000 2.708 439 N HA 0.197 4.936 4.740 -0.001 0.000 0.257 439 N C -1.602 173.890 175.510 -0.031 0.000 1.373 439 N CA -0.630 52.388 53.050 -0.054 0.000 0.843 439 N CB 1.910 40.397 38.487 -0.001 0.000 1.503 439 N HN 0.198 nan 8.380 nan 0.000 0.504 440 T N 1.178 115.743 114.554 0.019 0.000 2.794 440 T HA 0.609 4.959 4.350 -0.001 0.000 0.280 440 T C 0.007 174.771 174.700 0.106 0.000 0.987 440 T CA -0.620 61.545 62.100 0.108 0.000 0.993 440 T CB 0.232 69.181 68.868 0.136 0.000 0.939 440 T HN 0.504 nan 8.240 nan 0.000 0.449 441 I N 0.155 120.802 120.570 0.128 0.000 2.608 441 I HA 0.882 5.052 4.170 -0.001 0.000 0.295 441 I C -1.199 174.979 176.117 0.102 0.000 1.049 441 I CA -1.231 60.134 61.300 0.110 0.000 1.063 441 I CB 2.043 40.125 38.000 0.137 0.000 1.248 441 I HN 0.228 nan 8.210 nan 0.000 0.424 442 V N 3.863 123.808 119.914 0.052 0.000 2.487 442 V HA 0.646 4.765 4.120 -0.001 0.000 0.298 442 V C 0.236 176.282 176.094 -0.080 0.000 1.028 442 V CA -0.117 62.200 62.300 0.028 0.000 0.860 442 V CB 1.932 33.763 31.823 0.013 0.000 0.991 442 V HN 1.011 nan 8.190 nan 0.000 0.427 443 T N 0.177 114.626 114.554 -0.176 0.000 2.916 443 T HA 0.460 4.809 4.350 -0.001 0.000 0.292 443 T C 0.375 174.900 174.700 -0.293 0.000 1.064 443 T CA -0.063 61.774 62.100 -0.438 0.000 1.011 443 T CB 1.917 70.228 68.868 -0.928 0.000 1.152 443 T HN 0.692 nan 8.240 nan 0.000 0.510 444 S N 0.553 116.072 115.700 -0.301 0.000 2.526 444 S HA 0.323 4.792 4.470 -0.001 0.000 0.247 444 S C -0.229 174.440 174.600 0.115 0.000 1.076 444 S CA -0.709 57.463 58.200 -0.048 0.000 1.105 444 S CB -0.945 62.269 63.200 0.023 0.000 0.793 444 S HN 0.621 nan 8.310 nan 0.000 0.458 445 Y N 2.790 123.068 120.300 -0.036 0.000 3.037 445 Y HA 0.455 5.004 4.550 -0.001 0.000 0.429 445 Y C 1.659 177.525 175.900 -0.057 0.000 1.246 445 Y CA -1.067 56.994 58.100 -0.065 0.000 1.543 445 Y CB -0.499 37.914 38.460 -0.078 0.000 1.485 445 Y HN 0.445 nan 8.280 nan 0.000 0.825 446 N N -0.337 118.439 118.700 0.126 0.000 3.013 446 N HA 0.106 4.846 4.740 -0.001 0.000 0.250 446 N C -0.056 175.507 175.510 0.087 0.000 0.997 446 N CA -0.290 52.798 53.050 0.063 0.000 1.052 446 N CB 0.143 38.623 38.487 -0.012 0.000 1.663 446 N HN 0.279 nan 8.380 nan 0.000 0.641 447 R N 1.237 121.809 120.500 0.121 0.000 2.308 447 R HA 0.298 4.638 4.340 -0.001 0.000 0.305 447 R C -0.789 175.585 176.300 0.123 0.000 1.053 447 R CA -0.198 56.017 56.100 0.192 0.000 0.957 447 R CB 0.222 30.695 30.300 0.288 0.000 1.022 447 R HN 0.473 nan 8.270 nan 0.000 0.461 448 N N 4.621 123.325 118.700 0.007 0.000 2.466 448 N HA 0.047 4.786 4.740 -0.001 0.000 0.272 448 N C -1.027 174.422 175.510 -0.102 0.000 1.455 448 N CA -0.449 52.558 53.050 -0.073 0.000 0.875 448 N CB -0.134 38.223 38.487 -0.217 0.000 1.372 448 N HN 0.273 nan 8.380 nan 0.000 0.492 449 F N 1.439 121.397 119.950 0.014 0.000 2.527 449 F HA 0.191 4.718 4.527 -0.001 0.000 0.316 449 F C 1.423 177.283 175.800 0.100 0.000 1.258 449 F CA 0.248 58.282 58.000 0.057 0.000 1.314 449 F CB 0.369 39.388 39.000 0.031 0.000 1.200 449 F HN -0.159 nan 8.300 nan 0.000 0.577 450 T N 1.199 115.981 114.554 0.380 0.000 2.779 450 T HA 0.385 4.735 4.350 -0.001 0.000 0.296 450 T C 0.764 175.588 174.700 0.206 0.000 0.938 450 T CA 0.472 62.763 62.100 0.317 0.000 1.119 450 T CB 0.251 69.275 68.868 0.261 0.000 0.891 450 T HN 1.005 nan 8.240 nan 0.000 0.526 451 G N 2.945 111.866 108.800 0.202 0.000 2.143 451 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 451 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 451 G C 1.085 176.071 174.900 0.143 0.000 0.991 451 G CA 0.428 45.621 45.100 0.155 0.000 0.689 451 G HN 0.649 nan 8.290 nan 0.000 0.522 452 R N 0.502 121.095 120.500 0.156 0.000 2.115 452 R HA 0.111 4.451 4.340 -0.001 0.000 0.226 452 R C 1.989 178.392 176.300 0.171 0.000 1.100 452 R CA 2.312 58.502 56.100 0.149 0.000 0.980 452 R CB -0.622 29.780 30.300 0.169 0.000 0.875 452 R HN 0.629 nan 8.270 nan 0.000 0.445 453 N N -0.950 117.874 118.700 0.206 0.000 2.439 453 N HA -0.006 4.734 4.740 -0.001 0.000 0.176 453 N C 0.011 175.747 175.510 0.377 0.000 1.029 453 N CA 0.945 54.177 53.050 0.304 0.000 0.886 453 N CB 0.395 39.076 38.487 0.323 0.000 1.057 453 N HN 0.335 nan 8.380 nan 0.000 0.437 454 D N -1.106 119.429 120.400 0.224 0.000 2.510 454 D HA 0.313 4.952 4.640 -0.001 0.000 0.234 454 D C 0.468 176.796 176.300 0.045 0.000 1.178 454 D CA 0.140 54.189 54.000 0.083 0.000 0.816 454 D CB 0.123 40.862 40.800 -0.102 0.000 1.143 454 D HN 0.044 nan 8.370 nan 0.000 0.526 455 A N 0.352 123.228 122.820 0.093 0.000 2.887 455 A HA -0.266 4.053 4.320 -0.001 0.000 0.257 455 A C 0.295 177.923 177.584 0.073 0.000 1.372 455 A CA 0.797 52.887 52.037 0.089 0.000 0.879 455 A CB -2.745 16.304 19.000 0.082 0.000 1.082 455 A HN 0.411 nan 8.150 nan 0.000 0.703 456 N N 0.129 118.871 118.700 0.070 0.000 2.500 456 N HA 0.405 5.145 4.740 -0.001 0.000 0.236 456 N C -0.716 174.867 175.510 0.122 0.000 1.022 456 N CA -1.877 51.215 53.050 0.070 0.000 0.935 456 N CB 0.955 39.467 38.487 0.042 0.000 1.147 456 N HN 0.209 nan 8.380 nan 0.000 0.512 457 P HA -0.163 nan 4.420 nan 0.000 0.217 457 P C 0.304 177.711 177.300 0.179 0.000 1.148 457 P CA 1.196 64.373 63.100 0.128 0.000 0.834 457 P CB 0.536 32.283 31.700 0.079 0.000 0.783 458 E N -0.601 119.716 120.200 0.196 0.000 2.437 458 E HA 0.091 4.440 4.350 -0.001 0.000 0.189 458 E C 0.042 176.902 176.600 0.433 0.000 1.054 458 E CA 0.130 56.712 56.400 0.304 0.000 0.874 458 E CB -0.358 29.461 29.700 0.199 0.000 1.011 458 E HN 0.169 nan 8.360 nan 0.000 0.474 459 T N 1.230 115.990 114.554 0.343 0.000 2.817 459 T HA 0.202 4.551 4.350 -0.001 0.000 0.293 459 T C -0.448 174.390 174.700 0.230 0.000 0.964 459 T CA -0.329 61.927 62.100 0.261 0.000 1.085 459 T CB 0.406 69.358 68.868 0.140 0.000 0.921 459 T HN 0.026 nan 8.240 nan 0.000 0.502 460 H N 1.682 120.665 119.070 -0.145 0.000 2.597 460 H HA 0.610 5.166 4.556 -0.001 0.000 0.303 460 H C -0.080 174.965 175.328 -0.470 0.000 1.057 460 H CA -0.800 54.914 56.048 -0.557 0.000 1.261 460 H CB 0.570 30.129 29.762 -0.337 0.000 1.397 460 H HN 0.712 nan 8.280 nan 0.000 0.461 461 A N 4.237 126.690 122.820 -0.612 0.000 2.331 461 A HA 0.666 4.986 4.320 -0.001 0.000 0.320 461 A C -1.116 176.118 177.584 -0.585 0.000 1.138 461 A CA -0.599 51.223 52.037 -0.358 0.000 0.790 461 A CB 0.539 19.411 19.000 -0.213 0.000 1.206 461 A HN 0.502 nan 8.150 nan 0.000 0.470 462 F N 1.385 121.206 119.950 -0.214 0.000 2.508 462 F HA 0.582 5.109 4.527 -0.001 0.000 0.325 462 F C 0.371 176.092 175.800 -0.131 0.000 1.090 462 F CA -0.741 57.152 58.000 -0.178 0.000 0.945 462 F CB 2.448 41.359 39.000 -0.150 0.000 1.156 462 F HN 0.500 nan 8.300 nan 0.000 0.463 463 V N -0.472 119.475 119.914 0.056 0.000 2.555 463 V HA 0.932 5.051 4.120 -0.001 0.000 0.302 463 V C -0.511 175.617 176.094 0.057 0.000 1.038 463 V CA -0.105 62.205 62.300 0.016 0.000 0.887 463 V CB 1.231 33.055 31.823 0.002 0.000 0.991 463 V HN 0.947 nan 8.190 nan 0.000 0.434 464 T N 2.165 116.743 114.554 0.041 0.000 2.626 464 T HA 0.495 4.845 4.350 -0.001 0.000 0.285 464 T C -0.084 174.647 174.700 0.051 0.000 1.194 464 T CA 0.327 62.464 62.100 0.061 0.000 1.112 464 T CB 1.076 69.984 68.868 0.066 0.000 1.714 464 T HN 1.654 nan 8.240 nan 0.000 0.457 465 S N 1.836 117.575 115.700 0.064 0.000 2.632 465 S HA 0.469 4.938 4.470 -0.001 0.000 0.271 465 S C -1.644 172.995 174.600 0.065 0.000 1.260 465 S CA -0.847 57.390 58.200 0.063 0.000 1.010 465 S CB 1.202 64.450 63.200 0.080 0.000 0.965 465 S HN 0.655 nan 8.310 nan 0.000 0.534 466 P HA -0.248 nan 4.420 nan 0.000 0.215 466 P C 1.440 178.801 177.300 0.102 0.000 1.157 466 P CA 1.655 64.799 63.100 0.074 0.000 0.874 466 P CB -0.088 31.642 31.700 0.050 0.000 0.790 467 E N 0.237 120.493 120.200 0.094 0.000 2.058 467 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 467 E C 2.179 178.924 176.600 0.241 0.000 0.997 467 E CA 1.181 57.663 56.400 0.137 0.000 0.801 467 E CB -1.236 28.520 29.700 0.093 0.000 0.746 467 E HN 0.219 nan 8.360 nan 0.000 0.450 468 I N 1.525 122.226 120.570 0.218 0.000 2.315 468 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 468 I C 2.691 178.862 176.117 0.091 0.000 1.117 468 I CA 0.582 61.977 61.300 0.158 0.000 1.404 468 I CB -0.829 37.228 38.000 0.095 0.000 1.071 468 I HN -0.023 nan 8.210 nan 0.000 0.419 469 V N 0.957 120.920 119.914 0.082 0.000 2.343 469 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 469 V C 2.563 178.678 176.094 0.035 0.000 1.051 469 V CA 2.321 64.659 62.300 0.063 0.000 1.036 469 V CB -1.157 30.721 31.823 0.092 0.000 0.654 469 V HN 0.434 nan 8.190 nan 0.000 0.451 470 T N 0.609 115.195 114.554 0.053 0.000 2.643 470 T HA -0.192 4.158 4.350 -0.001 0.000 0.264 470 T C 2.121 176.740 174.700 -0.135 0.000 1.045 470 T CA 1.764 63.784 62.100 -0.133 0.000 1.155 470 T CB -0.620 68.252 68.868 0.008 0.000 0.863 470 T HN 0.566 nan 8.240 nan 0.000 0.420 471 A N 1.396 124.237 122.820 0.036 0.000 1.892 471 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 471 A C 2.318 179.894 177.584 -0.013 0.000 1.188 471 A CA 1.491 53.573 52.037 0.075 0.000 0.631 471 A CB -0.995 18.147 19.000 0.236 0.000 0.822 471 A HN 0.505 nan 8.150 nan 0.000 0.447 472 L N -1.293 119.940 121.223 0.017 0.000 2.395 472 L HA -0.066 4.273 4.340 -0.001 0.000 0.218 472 L C 2.879 179.686 176.870 -0.105 0.000 1.130 472 L CA 0.678 55.514 54.840 -0.008 0.000 0.826 472 L CB -0.452 41.604 42.059 -0.004 0.000 0.941 472 L HN 0.473 nan 8.230 nan 0.000 0.451 473 A N 0.234 122.960 122.820 -0.157 0.000 1.970 473 A HA -0.057 4.263 4.320 -0.001 0.000 0.216 473 A C 2.130 179.570 177.584 -0.241 0.000 1.170 473 A CA 0.880 52.795 52.037 -0.202 0.000 0.645 473 A CB -0.300 18.495 19.000 -0.342 0.000 0.816 473 A HN 0.297 nan 8.150 nan 0.000 0.447 474 I N -0.225 120.179 120.570 -0.277 0.000 2.353 474 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 474 I C 2.854 178.810 176.117 -0.268 0.000 1.119 474 I CA 1.046 62.195 61.300 -0.251 0.000 1.417 474 I CB -0.144 37.718 38.000 -0.230 0.000 1.078 474 I HN 0.311 nan 8.210 nan 0.000 0.421 475 A N 0.168 122.768 122.820 -0.367 0.000 1.930 475 A HA 0.076 4.396 4.320 -0.001 0.000 0.217 475 A C 2.137 179.592 177.584 -0.216 0.000 1.175 475 A CA 1.331 53.113 52.037 -0.424 0.000 0.627 475 A CB -1.016 17.634 19.000 -0.584 0.000 0.815 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -2.321 106.388 108.800 -0.153 0.000 2.148 476 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.254 476 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.254 476 G C 0.381 175.242 174.900 -0.066 0.000 0.981 476 G CA 1.119 46.164 45.100 -0.091 0.000 0.670 476 G HN 1.464 nan 8.290 nan 0.000 0.528 477 T N -1.259 113.258 114.554 -0.062 0.000 2.932 477 T HA 0.519 4.868 4.350 -0.001 0.000 0.318 477 T C 1.167 175.849 174.700 -0.029 0.000 1.265 477 T CA -0.322 61.755 62.100 -0.039 0.000 1.036 477 T CB 1.059 69.912 68.868 -0.024 0.000 1.209 477 T HN 0.253 nan 8.240 nan 0.000 0.484 478 L N 2.424 123.598 121.223 -0.081 0.000 2.456 478 L HA 0.086 4.426 4.340 -0.001 0.000 0.224 478 L C 2.294 179.097 176.870 -0.111 0.000 1.148 478 L CA 0.677 55.426 54.840 -0.151 0.000 0.825 478 L CB -0.193 41.714 42.059 -0.254 0.000 0.937 478 L HN 0.504 nan 8.230 nan 0.000 0.450 479 K N 0.516 120.884 120.400 -0.053 0.000 2.211 479 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 479 K C 0.547 177.129 176.600 -0.029 0.000 1.050 479 K CA 0.481 56.742 56.287 -0.044 0.000 0.945 479 K CB -0.226 32.263 32.500 -0.018 0.000 0.732 479 K HN 0.067 nan 8.250 nan 0.000 0.451 480 F N 1.263 121.123 119.950 -0.150 0.000 2.471 480 F HA 0.180 4.706 4.527 -0.001 0.000 0.353 480 F C 0.016 175.687 175.800 -0.216 0.000 1.113 480 F CA -0.443 57.453 58.000 -0.173 0.000 1.262 480 F CB 0.463 39.359 39.000 -0.174 0.000 1.146 480 F HN -0.048 nan 8.300 nan 0.000 0.578 481 N N 7.391 125.329 118.700 -1.270 0.000 2.573 481 N HA 0.364 5.104 4.740 -0.001 0.000 0.262 481 N C -2.353 172.319 175.510 -1.397 0.000 1.029 481 N CA -2.554 49.859 53.050 -1.062 0.000 0.882 481 N CB 1.654 39.777 38.487 -0.607 0.000 1.204 481 N HN 0.165 nan 8.380 nan 0.000 0.519 482 P HA -0.130 nan 4.420 nan 0.000 0.216 482 P C 0.898 177.631 177.300 -0.945 0.000 1.150 482 P CA 1.089 63.495 63.100 -1.156 0.000 0.837 482 P CB 0.539 31.397 31.700 -1.403 0.000 0.786 483 E N -1.360 118.248 120.200 -0.986 0.000 2.110 483 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 483 E C 1.355 177.713 176.600 -0.404 0.000 0.988 483 E CA 1.749 57.771 56.400 -0.629 0.000 0.804 483 E CB -0.185 29.203 29.700 -0.519 0.000 0.745 483 E HN 0.152 nan 8.360 nan 0.000 0.458 484 T N -0.194 114.072 114.554 -0.480 0.000 3.151 484 T HA 0.046 4.396 4.350 -0.001 0.000 0.239 484 T C -0.181 174.248 174.700 -0.452 0.000 0.979 484 T CA 0.021 61.894 62.100 -0.377 0.000 1.194 484 T CB -0.006 68.679 68.868 -0.306 0.000 0.982 484 T HN 0.035 nan 8.240 nan 0.000 0.428 485 D N 0.917 121.019 120.400 -0.498 0.000 2.378 485 D HA 0.261 4.901 4.640 -0.001 0.000 0.238 485 D C -0.641 175.413 176.300 -0.411 0.000 1.180 485 D CA 0.299 54.094 54.000 -0.343 0.000 0.895 485 D CB 0.300 40.910 40.800 -0.317 0.000 1.192 485 D HN 0.127 nan 8.370 nan 0.000 0.438 486 F N -0.168 119.764 119.950 -0.030 0.000 2.432 486 F HA 0.426 4.952 4.527 -0.001 0.000 0.329 486 F C 0.375 176.099 175.800 -0.128 0.000 1.076 486 F CA -0.792 57.143 58.000 -0.107 0.000 1.018 486 F CB 0.926 39.870 39.000 -0.094 0.000 1.201 486 F HN -0.066 nan 8.300 nan 0.000 0.489 487 L N 1.519 122.622 121.223 -0.199 0.000 2.334 487 L HA 0.464 4.804 4.340 -0.001 0.000 0.276 487 L C -0.429 176.389 176.870 -0.087 0.000 1.014 487 L CA -0.701 53.991 54.840 -0.247 0.000 0.815 487 L CB 2.112 43.863 42.059 -0.513 0.000 1.268 487 L HN 0.553 nan 8.230 nan 0.000 0.428 488 T N 1.959 116.512 114.554 -0.003 0.000 2.723 488 T HA 0.298 4.648 4.350 -0.001 0.000 0.297 488 T C 0.538 175.302 174.700 0.107 0.000 0.925 488 T CA -0.489 61.649 62.100 0.062 0.000 1.030 488 T CB 0.960 69.848 68.868 0.034 0.000 0.905 488 T HN 0.722 nan 8.240 nan 0.000 0.502 489 G N 1.701 110.625 108.800 0.205 0.000 2.606 489 G HA2 0.173 4.132 3.960 -0.001 0.000 0.252 489 G HA3 0.173 4.132 3.960 -0.001 0.000 0.252 489 G C 0.973 175.952 174.900 0.131 0.000 1.206 489 G CA -0.627 44.608 45.100 0.225 0.000 0.861 489 G HN 0.741 nan 8.290 nan 0.000 0.561 490 K N -0.256 120.207 120.400 0.105 0.000 2.218 490 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 490 K C 1.655 178.285 176.600 0.050 0.000 1.046 490 K CA 1.841 58.165 56.287 0.061 0.000 0.933 490 K CB 0.063 32.590 32.500 0.045 0.000 0.728 490 K HN 0.710 nan 8.250 nan 0.000 0.454 491 D N -1.735 118.703 120.400 0.062 0.000 2.328 491 D HA -0.005 4.635 4.640 -0.001 0.000 0.226 491 D C 1.067 177.400 176.300 0.054 0.000 1.066 491 D CA 0.873 54.904 54.000 0.051 0.000 0.861 491 D CB 0.357 41.189 40.800 0.053 0.000 0.912 491 D HN 0.385 nan 8.370 nan 0.000 0.521 492 G N 0.873 109.710 108.800 0.061 0.000 2.234 492 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.260 492 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.260 492 G C 0.331 175.269 174.900 0.065 0.000 0.987 492 G CA 0.388 45.518 45.100 0.050 0.000 0.625 492 G HN 0.451 nan 8.290 nan 0.000 0.532 493 K N 0.799 121.257 120.400 0.096 0.000 2.154 493 K HA 0.460 4.779 4.320 -0.001 0.000 0.264 493 K C 0.392 177.093 176.600 0.168 0.000 1.008 493 K CA -0.408 55.948 56.287 0.115 0.000 0.937 493 K CB 0.589 33.175 32.500 0.143 0.000 1.002 493 K HN 0.036 nan 8.250 nan 0.000 0.469 494 K N 2.106 122.589 120.400 0.138 0.000 2.087 494 K HA 0.457 4.777 4.320 -0.001 0.000 0.255 494 K C -0.147 176.651 176.600 0.330 0.000 0.988 494 K CA -0.400 55.993 56.287 0.178 0.000 0.915 494 K CB 0.682 33.217 32.500 0.057 0.000 1.043 494 K HN 0.611 nan 8.250 nan 0.000 0.457 495 F N -1.818 118.244 119.950 0.186 0.000 2.741 495 F HA 0.516 5.043 4.527 -0.001 0.000 0.311 495 F C -1.193 174.661 175.800 0.090 0.000 1.149 495 F CA -1.378 56.706 58.000 0.141 0.000 0.930 495 F CB 1.239 40.153 39.000 -0.145 0.000 1.312 495 F HN 0.432 nan 8.300 nan 0.000 0.450 496 K N 1.572 121.820 120.400 -0.254 0.000 2.295 496 K HA 0.763 5.083 4.320 -0.001 0.000 0.239 496 K C -1.595 174.907 176.600 -0.164 0.000 0.991 496 K CA -0.992 54.985 56.287 -0.516 0.000 0.845 496 K CB 2.357 34.472 32.500 -0.642 0.000 1.197 496 K HN 0.835 nan 8.250 nan 0.000 0.441 497 L N 1.969 123.141 121.223 -0.085 0.000 2.360 497 L HA 0.171 4.510 4.340 -0.001 0.000 0.276 497 L C 0.496 177.569 176.870 0.338 0.000 1.121 497 L CA -0.315 54.667 54.840 0.236 0.000 0.845 497 L CB 0.767 43.051 42.059 0.375 0.000 1.143 497 L HN 0.764 nan 8.230 nan 0.000 0.452 498 E N 2.933 123.278 120.200 0.241 0.000 2.360 498 E HA 0.301 4.651 4.350 -0.001 0.000 0.269 498 E C -0.395 176.160 176.600 -0.075 0.000 1.022 498 E CA -0.732 55.735 56.400 0.113 0.000 0.887 498 E CB 1.219 30.966 29.700 0.077 0.000 0.990 498 E HN 0.666 nan 8.360 nan 0.000 0.426 499 A N 6.407 129.069 122.820 -0.263 0.000 2.454 499 A HA 0.260 4.579 4.320 -0.001 0.000 0.260 499 A C -2.063 175.139 177.584 -0.635 0.000 1.106 499 A CA -1.214 50.235 52.037 -0.980 0.000 0.780 499 A CB -0.036 18.542 19.000 -0.703 0.000 1.044 499 A HN 0.536 nan 8.150 nan 0.000 0.498 500 P HA 0.147 nan 4.420 nan 0.000 0.269 500 P C -1.149 175.991 177.300 -0.266 0.000 1.215 500 P CA -0.012 62.852 63.100 -0.393 0.000 0.780 500 P CB 0.795 32.267 31.700 -0.380 0.000 0.898 501 D N 0.556 120.847 120.400 -0.183 0.000 2.505 501 D HA 0.608 5.247 4.640 -0.001 0.000 0.249 501 D C -1.020 175.218 176.300 -0.103 0.000 1.082 501 D CA -0.852 53.077 54.000 -0.118 0.000 0.839 501 D CB 2.446 43.194 40.800 -0.086 0.000 1.317 501 D HN 0.496 nan 8.370 nan 0.000 0.497 502 A N 2.113 124.890 122.820 -0.072 0.000 2.594 502 A HA 0.385 4.704 4.320 -0.001 0.000 0.296 502 A C -1.472 176.126 177.584 0.023 0.000 1.056 502 A CA -0.964 51.043 52.037 -0.050 0.000 0.693 502 A CB 1.173 20.093 19.000 -0.134 0.000 1.278 502 A HN 0.416 nan 8.150 nan 0.000 0.408 503 D N 1.242 121.704 120.400 0.104 0.000 2.488 503 D HA 0.128 4.768 4.640 -0.001 0.000 0.238 503 D C 1.179 177.618 176.300 0.231 0.000 1.138 503 D CA 0.472 54.579 54.000 0.178 0.000 0.873 503 D CB 1.002 41.982 40.800 0.301 0.000 1.183 503 D HN 0.686 nan 8.370 nan 0.000 0.458 504 E N 1.850 122.144 120.200 0.157 0.000 2.046 504 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 504 E C 0.030 176.767 176.600 0.229 0.000 0.982 504 E CA 0.736 57.228 56.400 0.154 0.000 0.800 504 E CB 0.286 30.034 29.700 0.079 0.000 0.756 504 E HN 0.397 nan 8.360 nan 0.000 0.449 505 L N 0.522 121.793 121.223 0.081 0.000 2.333 505 L HA 0.438 4.778 4.340 -0.001 0.000 0.263 505 L C -2.425 174.081 176.870 -0.608 0.000 1.014 505 L CA -2.700 52.011 54.840 -0.215 0.000 0.820 505 L CB 2.060 44.040 42.059 -0.132 0.000 1.352 505 L HN -0.083 nan 8.230 nan 0.000 0.421 506 P HA 0.078 nan 4.420 nan 0.000 0.267 506 P C -0.130 176.901 177.300 -0.447 0.000 1.200 506 P CA -0.271 62.215 63.100 -1.022 0.000 0.772 506 P CB 0.744 31.760 31.700 -1.140 0.000 0.855 507 R N 3.527 123.890 120.500 -0.228 0.000 2.080 507 R HA -0.070 4.270 4.340 -0.001 0.000 0.236 507 R C 0.996 177.200 176.300 -0.160 0.000 1.137 507 R CA 1.917 57.941 56.100 -0.126 0.000 0.943 507 R CB -1.171 29.099 30.300 -0.051 0.000 0.846 507 R HN 0.625 nan 8.270 nan 0.000 0.431 508 A N 0.418 123.129 122.820 -0.181 0.000 2.260 508 A HA 0.269 4.589 4.320 -0.001 0.000 0.278 508 A C -0.100 177.341 177.584 -0.237 0.000 1.269 508 A CA -0.499 51.439 52.037 -0.166 0.000 0.824 508 A CB -0.047 18.876 19.000 -0.127 0.000 1.238 508 A HN 0.321 nan 8.150 nan 0.000 0.507 509 E N -1.204 118.896 120.200 -0.166 0.000 2.869 509 E HA 0.416 4.765 4.350 -0.001 0.000 0.258 509 E C -1.184 175.313 176.600 -0.172 0.000 1.354 509 E CA -0.165 56.139 56.400 -0.161 0.000 1.065 509 E CB -0.017 29.646 29.700 -0.062 0.000 1.215 509 E HN 0.369 nan 8.360 nan 0.000 0.659 510 F N 0.854 120.733 119.950 -0.118 0.000 2.408 510 F HA 0.119 4.645 4.527 -0.001 0.000 0.344 510 F C 0.870 176.635 175.800 -0.058 0.000 1.112 510 F CA -0.558 57.384 58.000 -0.097 0.000 1.096 510 F CB 0.908 39.844 39.000 -0.106 0.000 1.129 510 F HN 0.047 nan 8.300 nan 0.000 0.486 511 D N 6.001 126.506 120.400 0.174 0.000 2.339 511 D HA 0.089 4.729 4.640 -0.001 0.000 0.256 511 D C -1.531 174.818 176.300 0.082 0.000 1.214 511 D CA -1.664 52.392 54.000 0.093 0.000 0.877 511 D CB 1.592 42.434 40.800 0.071 0.000 1.111 511 D HN 0.217 nan 8.370 nan 0.000 0.478 512 P HA 0.025 nan 4.420 nan 0.000 0.219 512 P C 0.635 177.970 177.300 0.057 0.000 1.150 512 P CA 0.660 63.785 63.100 0.042 0.000 0.814 512 P CB 0.299 32.014 31.700 0.024 0.000 0.787 513 G N -0.087 108.742 108.800 0.049 0.000 2.746 513 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.685 513 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.685 513 G C -1.168 173.760 174.900 0.047 0.000 1.350 513 G CA -0.759 44.370 45.100 0.049 0.000 0.837 513 G HN 0.204 nan 8.290 nan 0.000 0.564 514 Q N 0.595 120.419 119.800 0.040 0.000 2.307 514 Q HA 0.438 4.778 4.340 -0.001 0.000 0.262 514 Q C 0.423 176.444 176.000 0.034 0.000 0.961 514 Q CA 0.016 55.839 55.803 0.033 0.000 0.882 514 Q CB 1.417 30.169 28.738 0.023 0.000 1.264 514 Q HN 0.884 nan 8.270 nan 0.000 0.446 515 D N 1.608 122.029 120.400 0.034 0.000 2.739 515 D HA -0.136 4.504 4.640 -0.001 0.000 0.240 515 D C 0.374 176.680 176.300 0.010 0.000 1.114 515 D CA 1.072 55.085 54.000 0.021 0.000 0.695 515 D CB -0.184 40.624 40.800 0.014 0.000 1.078 515 D HN 0.770 nan 8.370 nan 0.000 0.434 516 T N -2.575 111.996 114.554 0.028 0.000 3.044 516 T HA 0.055 4.405 4.350 -0.001 0.000 0.255 516 T C 0.606 175.235 174.700 -0.119 0.000 1.073 516 T CA 0.238 62.364 62.100 0.043 0.000 1.125 516 T CB 0.307 69.302 68.868 0.211 0.000 0.908 516 T HN 0.361 nan 8.240 nan 0.000 0.480 517 Y N 1.457 121.496 120.300 -0.435 0.000 2.485 517 Y HA 0.558 5.107 4.550 -0.001 0.000 0.345 517 Y C -0.698 174.978 175.900 -0.373 0.000 0.998 517 Y CA -1.520 56.128 58.100 -0.753 0.000 1.059 517 Y CB 1.828 39.551 38.460 -1.228 0.000 1.234 517 Y HN 0.035 nan 8.280 nan 0.000 0.461 518 Q N 5.482 124.720 119.800 -0.936 0.000 2.341 518 Q HA 0.259 4.599 4.340 -0.001 0.000 0.268 518 Q C -1.253 174.285 176.000 -0.769 0.000 1.013 518 Q CA -0.667 54.828 55.803 -0.514 0.000 0.798 518 Q CB 0.660 29.295 28.738 -0.171 0.000 1.253 518 Q HN 0.827 nan 8.270 nan 0.000 0.457 519 H N 4.284 123.128 119.070 -0.377 0.000 2.790 519 H HA 0.143 4.699 4.556 -0.001 0.000 0.358 519 H C -1.967 173.283 175.328 -0.130 0.000 1.103 519 H CA -0.808 55.163 56.048 -0.128 0.000 1.426 519 H CB 0.831 30.645 29.762 0.086 0.000 1.424 519 H HN 0.510 nan 8.280 nan 0.000 0.599 520 P HA 0.075 nan 4.420 nan 0.000 0.271 520 P C -2.545 174.772 177.300 0.029 0.000 1.216 520 P CA -1.366 61.735 63.100 0.003 0.000 0.771 520 P CB 0.264 31.971 31.700 0.012 0.000 0.864 521 P HA 0.212 nan 4.420 nan 0.000 0.288 521 P C 0.612 177.895 177.300 -0.030 0.000 1.363 521 P CA -0.508 62.579 63.100 -0.021 0.000 0.837 521 P CB 0.899 32.576 31.700 -0.039 0.000 0.981 522 K N 2.067 122.451 120.400 -0.026 0.000 2.360 522 K HA -0.120 4.200 4.320 -0.001 0.000 0.201 522 K C 1.007 177.584 176.600 -0.038 0.000 1.046 522 K CA 0.724 56.990 56.287 -0.036 0.000 0.940 522 K CB -0.455 32.016 32.500 -0.048 0.000 0.748 522 K HN 0.421 nan 8.250 nan 0.000 0.465 523 D N 0.621 120.998 120.400 -0.038 0.000 2.248 523 D HA -0.142 4.497 4.640 -0.001 0.000 0.245 523 D C 0.036 176.310 176.300 -0.043 0.000 1.217 523 D CA 1.132 55.109 54.000 -0.038 0.000 1.039 523 D CB -0.408 40.369 40.800 -0.038 0.000 1.615 523 D HN -0.065 nan 8.370 nan 0.000 0.568 524 S N 0.254 115.923 115.700 -0.052 0.000 3.000 524 S HA -0.054 4.416 4.470 -0.001 0.000 0.260 524 S C -0.026 174.532 174.600 -0.071 0.000 0.765 524 S CA -0.003 58.160 58.200 -0.062 0.000 2.011 524 S CB -0.962 62.192 63.200 -0.076 0.000 1.351 524 S HN 0.246 nan 8.310 nan 0.000 0.658 525 S N 1.528 117.195 115.700 -0.055 0.000 3.900 525 S HA 0.473 4.942 4.470 -0.001 0.000 0.248 525 S C 1.135 175.706 174.600 -0.049 0.000 1.310 525 S CA -0.190 57.981 58.200 -0.049 0.000 0.915 525 S CB 0.165 63.344 63.200 -0.035 0.000 1.588 525 S HN 0.853 nan 8.310 nan 0.000 0.472 526 G N 0.870 109.632 108.800 -0.062 0.000 2.363 526 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.213 526 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.213 526 G C -0.379 174.478 174.900 -0.071 0.000 1.028 526 G CA -0.850 44.216 45.100 -0.057 0.000 0.822 526 G HN 0.548 nan 8.290 nan 0.000 0.536 527 Q N 1.055 120.796 119.800 -0.099 0.000 2.267 527 Q HA 0.705 5.044 4.340 -0.001 0.000 0.255 527 Q C 0.208 176.132 176.000 -0.126 0.000 0.923 527 Q CA -0.192 55.539 55.803 -0.119 0.000 0.925 527 Q CB 0.589 29.233 28.738 -0.157 0.000 1.195 527 Q HN 0.422 nan 8.270 nan 0.000 0.417 528 R N 2.645 123.087 120.500 -0.097 0.000 2.621 528 R HA 0.647 4.987 4.340 -0.001 0.000 0.292 528 R C -1.568 174.700 176.300 -0.053 0.000 0.969 528 R CA -0.747 55.310 56.100 -0.072 0.000 0.887 528 R CB 1.569 31.846 30.300 -0.038 0.000 1.180 528 R HN 0.517 nan 8.270 nan 0.000 0.450 529 V N 4.195 124.095 119.914 -0.023 0.000 2.357 529 V HA 0.335 4.454 4.120 -0.001 0.000 0.284 529 V C -0.667 175.499 176.094 0.120 0.000 1.018 529 V CA -0.538 61.790 62.300 0.046 0.000 0.841 529 V CB 1.642 33.486 31.823 0.034 0.000 0.991 529 V HN 0.736 nan 8.190 nan 0.000 0.437 530 D N 3.571 124.056 120.400 0.141 0.000 2.593 530 D HA 0.369 5.008 4.640 -0.001 0.000 0.251 530 D C -0.901 175.464 176.300 0.108 0.000 1.140 530 D CA -0.244 53.820 54.000 0.107 0.000 0.855 530 D CB 2.901 43.736 40.800 0.058 0.000 1.267 530 D HN 0.240 nan 8.370 nan 0.000 0.532 531 V N 2.352 122.302 119.914 0.061 0.000 2.334 531 V HA 0.045 4.164 4.120 -0.001 0.000 0.267 531 V C 0.764 176.855 176.094 -0.004 0.000 1.040 531 V CA -0.381 61.904 62.300 -0.025 0.000 0.866 531 V CB 1.198 32.967 31.823 -0.090 0.000 1.019 531 V HN 0.529 nan 8.190 nan 0.000 0.468 532 S N 8.518 124.218 115.700 0.001 0.000 2.626 532 S HA 0.059 4.529 4.470 -0.001 0.000 0.303 532 S C -0.588 174.018 174.600 0.010 0.000 1.256 532 S CA -0.622 57.584 58.200 0.010 0.000 1.069 532 S CB 0.716 63.923 63.200 0.011 0.000 0.807 532 S HN 0.646 nan 8.310 nan 0.000 0.500 533 P HA -0.081 nan 4.420 nan 0.000 0.216 533 P C 0.987 178.306 177.300 0.031 0.000 1.150 533 P CA 1.403 64.512 63.100 0.015 0.000 0.843 533 P CB -0.440 31.268 31.700 0.013 0.000 0.787 534 T N -4.106 110.468 114.554 0.033 0.000 3.223 534 T HA 0.182 4.531 4.350 -0.001 0.000 0.259 534 T C 0.676 175.403 174.700 0.046 0.000 1.015 534 T CA -0.428 61.697 62.100 0.043 0.000 0.908 534 T CB -0.668 68.216 68.868 0.028 0.000 1.054 534 T HN 0.011 nan 8.240 nan 0.000 0.567 535 S N 1.329 117.060 115.700 0.052 0.000 2.560 535 S HA 0.060 4.529 4.470 -0.001 0.000 0.284 535 S C 1.050 175.674 174.600 0.040 0.000 1.327 535 S CA -0.440 57.785 58.200 0.042 0.000 1.055 535 S CB 0.581 63.799 63.200 0.031 0.000 0.868 535 S HN 0.326 nan 8.310 nan 0.000 0.506 536 Q N 2.574 122.363 119.800 -0.018 0.000 2.280 536 Q HA 0.226 4.566 4.340 -0.001 0.000 0.201 536 Q C 1.091 177.076 176.000 -0.024 0.000 0.890 536 Q CA 0.136 55.863 55.803 -0.126 0.000 0.947 536 Q CB 0.267 28.997 28.738 -0.012 0.000 1.081 536 Q HN 0.619 nan 8.270 nan 0.000 0.502 537 R N -0.781 119.754 120.500 0.058 0.000 2.310 537 R HA 0.363 4.703 4.340 -0.001 0.000 0.199 537 R C -0.130 176.247 176.300 0.129 0.000 0.891 537 R CA 0.560 56.711 56.100 0.084 0.000 1.060 537 R CB 0.897 31.195 30.300 -0.002 0.000 1.188 537 R HN 0.027 nan 8.270 nan 0.000 0.607 538 L N 0.236 121.538 121.223 0.131 0.000 2.422 538 L HA 0.542 4.882 4.340 -0.001 0.000 0.264 538 L C -1.165 175.719 176.870 0.023 0.000 0.984 538 L CA -0.702 54.131 54.840 -0.012 0.000 0.819 538 L CB 2.537 44.422 42.059 -0.290 0.000 1.330 538 L HN -0.041 nan 8.230 nan 0.000 0.410 539 Q N 2.465 122.186 119.800 -0.131 0.000 2.309 539 Q HA 0.519 4.859 4.340 -0.001 0.000 0.273 539 Q C -1.702 174.183 176.000 -0.192 0.000 1.040 539 Q CA -0.686 54.990 55.803 -0.212 0.000 0.834 539 Q CB 2.554 30.965 28.738 -0.544 0.000 1.345 539 Q HN 0.560 nan 8.270 nan 0.000 0.414 540 L N 3.302 124.441 121.223 -0.139 0.000 2.439 540 L HA 0.255 4.594 4.340 -0.001 0.000 0.269 540 L C 0.060 176.845 176.870 -0.142 0.000 1.179 540 L CA -0.209 54.566 54.840 -0.108 0.000 0.828 540 L CB 0.324 42.343 42.059 -0.067 0.000 1.106 540 L HN 0.546 nan 8.230 nan 0.000 0.467 541 L N 2.135 123.271 121.223 -0.144 0.000 2.395 541 L HA 0.261 4.600 4.340 -0.001 0.000 0.269 541 L C 0.125 176.877 176.870 -0.195 0.000 1.133 541 L CA 0.037 54.755 54.840 -0.203 0.000 0.812 541 L CB 1.068 42.994 42.059 -0.223 0.000 1.125 541 L HN 0.599 nan 8.230 nan 0.000 0.452 542 E N 3.277 123.332 120.200 -0.242 0.000 2.187 542 E HA 0.420 4.770 4.350 -0.001 0.000 0.268 542 E C -2.426 174.016 176.600 -0.264 0.000 0.896 542 E CA -1.885 54.403 56.400 -0.187 0.000 0.766 542 E CB 1.629 31.264 29.700 -0.109 0.000 1.142 542 E HN 0.283 nan 8.360 nan 0.000 0.408 543 P HA 0.086 nan 4.420 nan 0.000 0.268 543 P C -1.052 176.205 177.300 -0.071 0.000 1.204 543 P CA -0.008 62.992 63.100 -0.166 0.000 0.768 543 P CB 0.198 31.854 31.700 -0.074 0.000 0.842 544 F N 1.644 121.588 119.950 -0.009 0.000 2.406 544 F HA 0.090 4.617 4.527 -0.001 0.000 0.327 544 F C 1.392 177.186 175.800 -0.010 0.000 1.153 544 F CA -0.668 57.331 58.000 -0.001 0.000 1.218 544 F CB -0.013 38.987 39.000 -0.001 0.000 1.215 544 F HN 0.364 nan 8.300 nan 0.000 0.570 545 D N 1.692 122.215 120.400 0.205 0.000 2.458 545 D HA 0.005 4.644 4.640 -0.001 0.000 0.243 545 D C -0.091 176.247 176.300 0.062 0.000 1.146 545 D CA -0.356 53.696 54.000 0.087 0.000 0.877 545 D CB 0.576 41.402 40.800 0.043 0.000 1.176 545 D HN 0.543 nan 8.370 nan 0.000 0.461 546 K N 2.106 122.530 120.400 0.040 0.000 2.276 546 K HA 0.058 4.378 4.320 -0.001 0.000 0.259 546 K C -0.496 176.121 176.600 0.029 0.000 1.001 546 K CA -0.793 55.511 56.287 0.028 0.000 0.927 546 K CB 0.522 33.032 32.500 0.016 0.000 0.969 546 K HN 0.560 nan 8.250 nan 0.000 0.490 547 W N 4.551 125.725 121.300 -0.210 0.000 2.218 547 W HA 0.042 4.701 4.660 -0.001 0.000 0.326 547 W C 0.606 177.039 176.519 -0.142 0.000 1.276 547 W CA -0.331 56.860 57.345 -0.257 0.000 1.210 547 W CB 0.632 29.792 29.460 -0.499 0.000 1.143 547 W HN 0.778 nan 8.180 nan 0.000 0.563 548 D N 2.877 122.897 120.400 -0.633 0.000 2.363 548 D HA 0.016 4.656 4.640 -0.001 0.000 0.226 548 D C 1.647 177.361 176.300 -0.978 0.000 1.020 548 D CA 0.746 54.365 54.000 -0.634 0.000 0.892 548 D CB -0.522 40.082 40.800 -0.327 0.000 0.900 548 D HN 0.839 nan 8.370 nan 0.000 0.531 549 G N -0.166 107.421 108.800 -2.023 0.000 2.189 549 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.267 549 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.267 549 G C 0.317 174.687 174.900 -0.884 0.000 0.975 549 G CA 0.742 44.853 45.100 -1.648 0.000 0.644 549 G HN 0.553 nan 8.290 nan 0.000 0.537 550 K N 0.093 120.143 120.400 -0.583 0.000 2.306 550 K HA 0.577 4.897 4.320 -0.001 0.000 0.236 550 K C -0.446 176.321 176.600 0.279 0.000 1.013 550 K CA -0.943 55.309 56.287 -0.059 0.000 0.857 550 K CB 1.067 33.501 32.500 -0.110 0.000 1.214 550 K HN 0.053 nan 8.250 nan 0.000 0.449 551 D N 0.814 121.316 120.400 0.171 0.000 2.383 551 D HA 0.200 4.839 4.640 -0.001 0.000 0.248 551 D C -0.323 176.042 176.300 0.109 0.000 1.170 551 D CA -0.095 53.997 54.000 0.153 0.000 0.977 551 D CB 0.686 41.526 40.800 0.066 0.000 1.120 551 D HN 0.247 nan 8.370 nan 0.000 0.481 552 L N 1.372 122.631 121.223 0.060 0.000 2.360 552 L HA 0.309 4.648 4.340 -0.001 0.000 0.265 552 L C 0.163 177.033 176.870 0.000 0.000 1.066 552 L CA -0.523 54.337 54.840 0.033 0.000 0.929 552 L CB 0.076 42.141 42.059 0.010 0.000 1.306 552 L HN 0.056 nan 8.230 nan 0.000 0.434 553 E N 1.889 122.090 120.200 0.002 0.000 2.343 553 E HA 0.124 4.473 4.350 -0.001 0.000 0.269 553 E C -0.249 176.342 176.600 -0.016 0.000 1.047 553 E CA -0.431 55.964 56.400 -0.009 0.000 0.874 553 E CB 0.574 30.270 29.700 -0.006 0.000 1.033 553 E HN 0.340 nan 8.360 nan 0.000 0.409 554 D N 1.660 122.047 120.400 -0.022 0.000 2.697 554 D HA -0.209 4.430 4.640 -0.001 0.000 0.235 554 D C -0.744 175.535 176.300 -0.034 0.000 1.167 554 D CA 0.665 54.648 54.000 -0.028 0.000 0.656 554 D CB -0.852 39.934 40.800 -0.023 0.000 1.025 554 D HN 0.332 nan 8.370 nan 0.000 0.419 555 L N 0.313 121.517 121.223 -0.031 0.000 2.397 555 L HA 0.180 4.519 4.340 -0.001 0.000 0.271 555 L C 0.967 177.817 176.870 -0.033 0.000 1.148 555 L CA -0.186 54.638 54.840 -0.026 0.000 0.825 555 L CB 0.707 42.758 42.059 -0.014 0.000 1.117 555 L HN -0.006 nan 8.230 nan 0.000 0.456 556 Q N 2.999 122.768 119.800 -0.051 0.000 2.243 556 Q HA 0.437 4.777 4.340 -0.001 0.000 0.252 556 Q C -0.857 175.142 176.000 -0.002 0.000 0.909 556 Q CA -0.035 55.704 55.803 -0.108 0.000 0.922 556 Q CB 1.224 29.757 28.738 -0.342 0.000 1.215 556 Q HN 0.471 nan 8.270 nan 0.000 0.427 557 I N 5.551 126.127 120.570 0.009 0.000 2.325 557 I HA 0.058 4.227 4.170 -0.001 0.000 0.291 557 I C 0.725 176.885 176.117 0.072 0.000 1.019 557 I CA -0.391 60.948 61.300 0.064 0.000 1.302 557 I CB 1.044 39.063 38.000 0.032 0.000 1.401 557 I HN 0.752 nan 8.210 nan 0.000 0.485 558 L N 8.625 129.908 121.223 0.099 0.000 2.068 558 L HA 0.314 4.653 4.340 -0.001 0.000 0.204 558 L C 0.344 177.197 176.870 -0.028 0.000 1.076 558 L CA 1.753 56.590 54.840 -0.005 0.000 0.753 558 L CB 0.250 42.079 42.059 -0.383 0.000 0.910 558 L HN 0.563 nan 8.230 nan 0.000 0.439 559 I N -0.476 120.101 120.570 0.010 0.000 2.743 559 I HA 0.243 4.413 4.170 -0.001 0.000 0.292 559 I C -1.338 174.813 176.117 0.057 0.000 1.343 559 I CA -0.814 60.499 61.300 0.023 0.000 1.038 559 I CB 1.571 39.578 38.000 0.013 0.000 1.311 559 I HN -0.015 nan 8.210 nan 0.000 0.426 560 K N 7.098 127.525 120.400 0.045 0.000 2.316 560 K HA 0.548 4.868 4.320 -0.001 0.000 0.267 560 K C -1.551 175.102 176.600 0.087 0.000 1.025 560 K CA -0.528 55.784 56.287 0.042 0.000 0.896 560 K CB 1.343 33.819 32.500 -0.041 0.000 1.124 560 K HN 0.475 nan 8.250 nan 0.000 0.451 561 V N 5.217 125.224 119.914 0.155 0.000 2.461 561 V HA 0.150 4.270 4.120 -0.001 0.000 0.275 561 V C 0.275 176.499 176.094 0.217 0.000 1.047 561 V CA -0.558 61.840 62.300 0.163 0.000 0.955 561 V CB 1.059 33.001 31.823 0.198 0.000 0.988 561 V HN 0.673 nan 8.190 nan 0.000 0.471 562 K N 4.382 124.869 120.400 0.145 0.000 2.227 562 K HA 0.557 4.877 4.320 -0.001 0.000 0.280 562 K C 0.507 177.154 176.600 0.077 0.000 1.041 562 K CA 0.812 57.186 56.287 0.145 0.000 0.905 562 K CB 0.923 33.479 32.500 0.094 0.000 1.068 562 K HN 1.084 nan 8.250 nan 0.000 0.470 563 G N 3.266 112.099 108.800 0.055 0.000 2.645 563 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.239 563 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.239 563 G C -0.797 174.125 174.900 0.036 0.000 1.331 563 G CA -0.043 45.073 45.100 0.027 0.000 0.890 563 G HN 0.815 nan 8.290 nan 0.000 0.572 564 K N -0.913 119.513 120.400 0.043 0.000 2.447 564 K HA 0.369 4.688 4.320 -0.001 0.000 0.281 564 K C -0.319 176.307 176.600 0.042 0.000 1.031 564 K CA 0.401 56.734 56.287 0.077 0.000 1.019 564 K CB -0.034 32.548 32.500 0.137 0.000 0.918 564 K HN 0.903 nan 8.250 nan 0.000 0.476 565 C N 5.062 124.405 119.300 0.071 0.000 2.801 565 C HA 0.325 4.784 4.460 -0.001 0.000 0.296 565 C C -0.216 174.759 174.990 -0.025 0.000 1.054 565 C CA -0.435 58.619 59.018 0.060 0.000 1.442 565 C CB 0.003 27.756 27.740 0.022 0.000 1.860 565 C HN 0.930 nan 8.230 nan 0.000 0.459 566 T N 2.417 117.060 114.554 0.148 0.000 2.874 566 T HA 0.215 4.564 4.350 -0.001 0.000 0.281 566 T C 1.593 176.133 174.700 -0.267 0.000 0.994 566 T CA 0.250 62.226 62.100 -0.207 0.000 1.015 566 T CB 1.246 69.870 68.868 -0.406 0.000 1.028 566 T HN 0.747 nan 8.240 nan 0.000 0.523 567 T N -1.375 112.999 114.554 -0.300 0.000 3.163 567 T HA -0.034 4.316 4.350 -0.001 0.000 0.260 567 T C 1.069 175.659 174.700 -0.184 0.000 1.156 567 T CA 0.696 62.637 62.100 -0.265 0.000 1.072 567 T CB -0.053 68.686 68.868 -0.216 0.000 0.937 567 T HN 0.496 nan 8.240 nan 0.000 0.528 568 D N 0.731 120.992 120.400 -0.231 0.000 2.348 568 D HA 0.013 4.652 4.640 -0.001 0.000 0.211 568 D C 1.451 177.660 176.300 -0.152 0.000 0.998 568 D CA 0.590 54.478 54.000 -0.187 0.000 0.873 568 D CB 0.087 40.757 40.800 -0.215 0.000 0.925 568 D HN 0.648 nan 8.370 nan 0.000 0.524 569 H N -0.239 118.777 119.070 -0.091 0.000 2.465 569 H HA 0.127 4.682 4.556 -0.001 0.000 0.289 569 H C 2.148 177.431 175.328 -0.075 0.000 1.022 569 H CA 0.397 56.404 56.048 -0.068 0.000 1.340 569 H CB 0.607 30.326 29.762 -0.070 0.000 1.437 569 H HN 0.056 nan 8.280 nan 0.000 0.539 570 I N -0.766 119.810 120.570 0.010 0.000 2.277 570 I HA -0.091 4.079 4.170 -0.001 0.000 0.243 570 I C 0.714 176.811 176.117 -0.034 0.000 1.094 570 I CA 0.668 61.962 61.300 -0.009 0.000 1.393 570 I CB 0.337 38.298 38.000 -0.063 0.000 1.078 570 I HN 0.003 nan 8.210 nan 0.000 0.417 571 S N 0.828 116.491 115.700 -0.061 0.000 2.620 571 S HA 0.664 5.134 4.470 -0.001 0.000 0.244 571 S C -0.317 174.230 174.600 -0.089 0.000 1.192 571 S CA -0.797 57.350 58.200 -0.090 0.000 1.148 571 S CB 0.404 63.600 63.200 -0.006 0.000 1.106 571 S HN 0.220 nan 8.310 nan 0.000 0.474 572 A N 3.543 126.275 122.820 -0.146 0.000 2.406 572 A HA 0.801 5.121 4.320 -0.001 0.000 0.243 572 A C 1.005 178.663 177.584 0.125 0.000 1.082 572 A CA 0.254 52.286 52.037 -0.008 0.000 0.786 572 A CB 0.122 19.151 19.000 0.048 0.000 1.029 572 A HN 1.204 nan 8.150 nan 0.000 0.495 573 A N 0.894 123.814 122.820 0.166 0.000 3.699 573 A HA 0.774 5.094 4.320 -0.001 0.000 0.167 573 A C 1.668 179.396 177.584 0.240 0.000 1.780 573 A CA 0.748 52.896 52.037 0.185 0.000 1.483 573 A CB -1.074 17.998 19.000 0.118 0.000 1.720 573 A HN 2.761 nan 8.150 nan 0.000 0.671 574 G N -0.496 108.398 108.800 0.157 0.000 2.629 574 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.313 574 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.313 574 G C -0.858 174.084 174.900 0.070 0.000 1.217 574 G CA 0.778 45.950 45.100 0.119 0.000 0.994 574 G HN 0.816 nan 8.290 nan 0.000 0.549 575 P HA 0.020 nan 4.420 nan 0.000 0.230 575 P C 0.953 178.084 177.300 -0.281 0.000 1.158 575 P CA 1.661 64.635 63.100 -0.211 0.000 0.769 575 P CB -0.179 31.324 31.700 -0.327 0.000 0.807 576 W N -0.361 120.972 121.300 0.055 0.000 3.256 576 W HA 0.245 4.904 4.660 -0.001 0.000 0.269 576 W C 2.051 178.598 176.519 0.047 0.000 1.310 576 W CA -0.236 57.181 57.345 0.120 0.000 1.673 576 W CB -0.630 28.913 29.460 0.138 0.000 1.115 576 W HN -0.161 nan 8.180 nan 0.000 0.686 577 L N 0.957 122.261 121.223 0.134 0.000 2.201 577 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 577 L C 2.598 179.457 176.870 -0.017 0.000 1.105 577 L CA 1.229 56.107 54.840 0.064 0.000 0.775 577 L CB -0.643 41.449 42.059 0.056 0.000 0.913 577 L HN 0.027 nan 8.230 nan 0.000 0.440 578 K N 0.893 121.198 120.400 -0.159 0.000 2.211 578 K HA -0.174 4.145 4.320 -0.001 0.000 0.204 578 K C 1.036 177.438 176.600 -0.330 0.000 1.047 578 K CA 1.547 57.623 56.287 -0.353 0.000 0.935 578 K CB -0.035 32.089 32.500 -0.628 0.000 0.728 578 K HN 0.276 nan 8.250 nan 0.000 0.452 579 F N -0.363 119.634 119.950 0.078 0.000 2.735 579 F HA 0.322 4.849 4.527 -0.001 0.000 0.304 579 F C 1.346 177.242 175.800 0.161 0.000 1.119 579 F CA -0.906 57.169 58.000 0.124 0.000 1.280 579 F CB 0.578 39.690 39.000 0.186 0.000 0.994 579 F HN -0.168 nan 8.300 nan 0.000 0.520 580 R N 0.914 121.546 120.500 0.219 0.000 2.241 580 R HA -0.003 4.336 4.340 -0.001 0.000 0.224 580 R C 1.998 178.466 176.300 0.281 0.000 1.101 580 R CA 0.937 57.129 56.100 0.153 0.000 0.995 580 R CB -0.645 29.676 30.300 0.035 0.000 0.870 580 R HN 0.309 nan 8.270 nan 0.000 0.463 581 G N -2.165 106.769 108.800 0.222 0.000 3.393 581 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.255 581 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.255 581 G C -0.450 174.539 174.900 0.149 0.000 1.097 581 G CA -0.191 45.004 45.100 0.157 0.000 0.780 581 G HN 0.260 nan 8.290 nan 0.000 0.540 582 H N 0.961 120.112 119.070 0.134 0.000 2.866 582 H HA 0.244 4.800 4.556 -0.001 0.000 0.287 582 H C 0.522 175.888 175.328 0.065 0.000 1.106 582 H CA -0.688 55.411 56.048 0.084 0.000 1.396 582 H CB 1.681 31.522 29.762 0.132 0.000 1.469 582 H HN 0.036 nan 8.280 nan 0.000 0.500 583 L N 4.626 125.787 121.223 -0.103 0.000 2.017 583 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 583 L C 1.808 178.590 176.870 -0.146 0.000 1.073 583 L CA 2.336 57.106 54.840 -0.116 0.000 0.745 583 L CB -0.429 41.465 42.059 -0.275 0.000 0.894 583 L HN 0.698 nan 8.230 nan 0.000 0.432 584 D N -2.656 117.636 120.400 -0.179 0.000 2.363 584 D HA -0.129 4.510 4.640 -0.001 0.000 0.220 584 D C 1.502 177.898 176.300 0.160 0.000 0.994 584 D CA 0.865 54.890 54.000 0.043 0.000 0.890 584 D CB -0.638 40.285 40.800 0.206 0.000 0.906 584 D HN 0.491 nan 8.370 nan 0.000 0.530 585 N N -0.476 118.359 118.700 0.224 0.000 2.387 585 N HA 0.191 4.930 4.740 -0.001 0.000 0.176 585 N C 1.582 177.089 175.510 -0.005 0.000 1.022 585 N CA 0.017 53.026 53.050 -0.069 0.000 0.883 585 N CB 0.340 38.526 38.487 -0.502 0.000 1.019 585 N HN 0.069 nan 8.380 nan 0.000 0.435 586 I N 0.386 121.073 120.570 0.195 0.000 2.617 586 I HA -0.089 4.081 4.170 -0.001 0.000 0.256 586 I C 1.203 177.362 176.117 0.069 0.000 1.167 586 I CA 0.664 62.134 61.300 0.283 0.000 1.469 586 I CB 0.110 38.313 38.000 0.339 0.000 1.098 586 I HN 0.048 nan 8.210 nan 0.000 0.436 587 S N 1.418 117.176 115.700 0.097 0.000 2.462 587 S HA -0.148 4.321 4.470 -0.001 0.000 0.243 587 S C 1.362 175.972 174.600 0.017 0.000 1.003 587 S CA 0.987 59.246 58.200 0.098 0.000 0.970 587 S CB -0.498 62.853 63.200 0.251 0.000 0.762 587 S HN 0.551 nan 8.310 nan 0.000 0.510 588 N N 2.152 120.843 118.700 -0.017 0.000 2.449 588 N HA -0.008 4.731 4.740 -0.001 0.000 0.191 588 N C 0.748 176.101 175.510 -0.262 0.000 1.161 588 N CA 0.360 53.401 53.050 -0.016 0.000 0.863 588 N CB -0.245 38.338 38.487 0.161 0.000 0.980 588 N HN 0.798 nan 8.380 nan 0.000 0.458 589 N N -0.033 118.293 118.700 -0.623 0.000 2.235 589 N HA 0.028 4.767 4.740 -0.001 0.000 0.231 589 N C -0.067 175.213 175.510 -0.384 0.000 1.177 589 N CA -0.435 52.103 53.050 -0.854 0.000 0.874 589 N CB 0.219 37.558 38.487 -1.913 0.000 1.097 589 N HN -0.105 nan 8.380 nan 0.000 0.518 590 L N 1.788 122.900 121.223 -0.185 0.000 2.534 590 L HA 0.134 4.474 4.340 -0.001 0.000 0.271 590 L C 0.590 177.428 176.870 -0.053 0.000 1.178 590 L CA 0.493 55.300 54.840 -0.055 0.000 0.907 590 L CB -0.148 41.933 42.059 0.037 0.000 1.164 590 L HN 0.349 nan 8.230 nan 0.000 0.482 591 L N 4.739 125.952 121.223 -0.017 0.000 3.970 591 L HA -0.315 4.024 4.340 -0.001 0.000 0.425 591 L C 1.504 178.374 176.870 -0.001 0.000 1.162 591 L CA 0.975 55.823 54.840 0.012 0.000 0.968 591 L CB -1.287 40.795 42.059 0.038 0.000 1.896 591 L HN 0.863 nan 8.230 nan 0.000 1.006 592 I N -4.405 116.152 120.570 -0.022 0.000 2.614 592 I HA 0.002 4.172 4.170 -0.001 0.000 0.258 592 I C 1.998 178.141 176.117 0.044 0.000 1.189 592 I CA 1.593 62.896 61.300 0.005 0.000 1.462 592 I CB -0.403 37.601 38.000 0.007 0.000 1.092 592 I HN 0.221 nan 8.210 nan 0.000 0.442 593 G N 0.915 109.762 108.800 0.077 0.000 2.838 593 G HA2 0.450 4.410 3.960 -0.001 0.000 0.210 593 G HA3 0.450 4.410 3.960 -0.001 0.000 0.210 593 G C 0.823 175.754 174.900 0.052 0.000 1.153 593 G CA 0.313 45.500 45.100 0.146 0.000 0.778 593 G HN 0.556 nan 8.290 nan 0.000 0.539 594 A N 0.582 123.387 122.820 -0.024 0.000 2.425 594 A HA 0.525 4.845 4.320 -0.001 0.000 0.242 594 A C 0.027 177.555 177.584 -0.093 0.000 1.077 594 A CA -0.118 51.828 52.037 -0.151 0.000 0.781 594 A CB 0.385 19.362 19.000 -0.039 0.000 1.020 594 A HN 0.116 nan 8.150 nan 0.000 0.494 595 I N 2.354 122.856 120.570 -0.112 0.000 2.325 595 I HA 0.090 4.260 4.170 -0.001 0.000 0.291 595 I C 0.268 176.391 176.117 0.009 0.000 1.019 595 I CA -0.355 60.921 61.300 -0.040 0.000 1.302 595 I CB 0.731 38.704 38.000 -0.045 0.000 1.401 595 I HN 0.722 nan 8.210 nan 0.000 0.485 596 N N 6.254 124.972 118.700 0.030 0.000 2.420 596 N HA 0.060 4.799 4.740 -0.001 0.000 0.262 596 N C 0.993 176.538 175.510 0.059 0.000 1.144 596 N CA 0.182 53.266 53.050 0.055 0.000 0.952 596 N CB 0.673 39.208 38.487 0.079 0.000 1.081 596 N HN 0.649 nan 8.380 nan 0.000 0.480 597 I N 2.508 123.116 120.570 0.063 0.000 2.567 597 I HA -0.218 3.951 4.170 -0.001 0.000 0.257 597 I C 1.816 177.970 176.117 0.061 0.000 1.184 597 I CA 1.133 62.470 61.300 0.061 0.000 1.451 597 I CB 0.115 38.149 38.000 0.057 0.000 1.089 597 I HN 0.731 nan 8.210 nan 0.000 0.441 598 E N 1.425 121.674 120.200 0.082 0.000 2.028 598 E HA -0.254 4.096 4.350 -0.001 0.000 0.191 598 E C 1.167 177.817 176.600 0.083 0.000 0.988 598 E CA 1.752 58.217 56.400 0.108 0.000 0.799 598 E CB 0.052 29.856 29.700 0.174 0.000 0.755 598 E HN 0.663 nan 8.360 nan 0.000 0.447 599 N N -0.835 117.907 118.700 0.070 0.000 2.177 599 N HA 0.098 4.838 4.740 -0.001 0.000 0.218 599 N C -0.225 175.276 175.510 -0.015 0.000 1.182 599 N CA 0.014 53.057 53.050 -0.012 0.000 0.882 599 N CB 0.449 38.870 38.487 -0.111 0.000 1.052 599 N HN 0.043 nan 8.380 nan 0.000 0.519 600 R N -0.987 119.520 120.500 0.012 0.000 3.875 600 R HA -0.193 4.147 4.340 -0.001 0.000 0.321 600 R C -0.940 175.360 176.300 0.000 0.000 1.196 600 R CA 1.205 57.309 56.100 0.006 0.000 0.868 600 R CB -1.595 28.704 30.300 -0.002 0.000 1.333 600 R HN 0.450 nan 8.270 nan 0.000 0.522 601 K N -0.687 119.717 120.400 0.006 0.000 2.395 601 K HA 0.768 5.087 4.320 -0.001 0.000 0.247 601 K C -0.761 175.850 176.600 0.017 0.000 0.973 601 K CA -0.443 55.846 56.287 0.004 0.000 0.828 601 K CB 2.045 34.539 32.500 -0.009 0.000 1.272 601 K HN 0.079 nan 8.250 nan 0.000 0.439 602 A N 1.565 124.395 122.820 0.017 0.000 2.301 602 A HA 0.381 4.701 4.320 -0.001 0.000 0.312 602 A C 0.147 177.750 177.584 0.032 0.000 1.182 602 A CA -0.163 51.887 52.037 0.022 0.000 0.826 602 A CB 0.193 19.210 19.000 0.027 0.000 1.134 602 A HN 0.877 nan 8.150 nan 0.000 0.501 603 N N 0.000 118.719 118.700 0.031 0.000 2.758 603 N HA -0.175 4.565 4.740 -0.001 0.000 0.248 603 N C -0.429 175.105 175.510 0.041 0.000 1.076 603 N CA 1.276 54.342 53.050 0.028 0.000 0.696 603 N CB -1.218 37.290 38.487 0.036 0.000 0.979 603 N HN 1.374 nan 8.380 nan 0.000 0.550 604 S N -1.870 113.872 115.700 0.070 0.000 2.511 604 S HA 0.585 5.054 4.470 -0.001 0.000 0.233 604 S C -0.226 174.521 174.600 0.244 0.000 1.104 604 S CA -0.238 58.047 58.200 0.143 0.000 1.129 604 S CB 0.862 64.147 63.200 0.142 0.000 1.159 604 S HN 0.681 nan 8.310 nan 0.000 0.451 605 V N 0.214 120.184 119.914 0.093 0.000 2.994 605 V HA 0.713 4.833 4.120 -0.001 0.000 0.318 605 V C 0.177 176.056 176.094 -0.358 0.000 1.085 605 V CA -1.296 60.982 62.300 -0.038 0.000 0.998 605 V CB 1.709 33.468 31.823 -0.106 0.000 1.063 605 V HN 0.977 nan 8.190 nan 0.000 0.447 606 R N 2.796 122.864 120.500 -0.719 0.000 2.229 606 R HA 0.268 4.608 4.340 -0.001 0.000 0.328 606 R C -0.264 175.745 176.300 -0.484 0.000 1.009 606 R CA -0.435 55.042 56.100 -1.039 0.000 0.864 606 R CB 0.708 30.224 30.300 -1.307 0.000 1.085 606 R HN 0.986 nan 8.270 nan 0.000 0.453 607 N N 3.225 121.666 118.700 -0.432 0.000 2.468 607 N HA -0.029 4.711 4.740 -0.001 0.000 0.265 607 N C 0.592 175.989 175.510 -0.189 0.000 1.199 607 N CA 0.488 53.325 53.050 -0.356 0.000 0.928 607 N CB 1.574 39.761 38.487 -0.500 0.000 1.059 607 N HN 0.709 nan 8.380 nan 0.000 0.467 608 A N 3.488 126.329 122.820 0.035 0.000 1.933 608 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 608 A C 1.977 179.562 177.584 0.003 0.000 1.175 608 A CA 2.123 54.181 52.037 0.034 0.000 0.628 608 A CB -0.499 18.551 19.000 0.082 0.000 0.814 608 A HN 0.671 nan 8.150 nan 0.000 0.444 609 V N -3.009 116.910 119.914 0.009 0.000 3.307 609 V HA 0.012 4.131 4.120 -0.001 0.000 0.253 609 V C 1.991 178.056 176.094 -0.049 0.000 1.149 609 V CA 1.834 64.141 62.300 0.012 0.000 1.112 609 V CB -0.882 31.008 31.823 0.112 0.000 0.777 609 V HN 0.594 nan 8.190 nan 0.000 0.464 610 T N -4.013 110.449 114.554 -0.153 0.000 3.044 610 T HA 0.075 4.425 4.350 -0.001 0.000 0.250 610 T C 1.056 175.691 174.700 -0.108 0.000 1.081 610 T CA 0.481 62.500 62.100 -0.136 0.000 1.040 610 T CB -0.132 68.600 68.868 -0.226 0.000 0.962 610 T HN 0.411 nan 8.240 nan 0.000 0.506 611 Q N 0.387 120.110 119.800 -0.128 0.000 2.481 611 Q HA -0.172 4.168 4.340 -0.001 0.000 0.272 611 Q C -0.299 175.657 176.000 -0.072 0.000 1.157 611 Q CA 1.041 56.782 55.803 -0.103 0.000 0.935 611 Q CB -1.924 26.789 28.738 -0.042 0.000 1.338 611 Q HN 0.893 nan 8.270 nan 0.000 0.494 612 E N -0.730 119.398 120.200 -0.119 0.000 2.238 612 E HA 0.572 4.922 4.350 -0.001 0.000 0.267 612 E C -0.925 175.637 176.600 -0.063 0.000 0.887 612 E CA -0.529 55.854 56.400 -0.029 0.000 0.769 612 E CB 1.011 30.677 29.700 -0.057 0.000 1.187 612 E HN 0.056 nan 8.360 nan 0.000 0.416 613 F N 2.117 122.025 119.950 -0.071 0.000 2.394 613 F HA 0.636 5.162 4.527 -0.001 0.000 0.340 613 F C 1.029 176.784 175.800 -0.076 0.000 1.105 613 F CA 0.322 58.279 58.000 -0.072 0.000 1.124 613 F CB 1.796 40.767 39.000 -0.048 0.000 1.145 613 F HN 0.545 nan 8.300 nan 0.000 0.505 614 G N 2.792 111.630 108.800 0.063 0.000 2.619 614 G HA2 0.497 4.457 3.960 -0.001 0.000 0.305 614 G HA3 0.497 4.457 3.960 -0.001 0.000 0.305 614 G C -3.303 171.584 174.900 -0.021 0.000 1.330 614 G CA -1.352 43.755 45.100 0.012 0.000 0.789 614 G HN 0.215 nan 8.290 nan 0.000 0.487 615 P HA 0.201 nan 4.420 nan 0.000 0.267 615 P C 1.195 178.446 177.300 -0.083 0.000 1.200 615 P CA -0.346 62.736 63.100 -0.029 0.000 0.772 615 P CB 1.144 32.839 31.700 -0.007 0.000 0.855 616 V N 4.854 124.718 119.914 -0.082 0.000 2.295 616 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 616 V C -0.854 175.144 176.094 -0.160 0.000 1.049 616 V CA 2.234 64.450 62.300 -0.140 0.000 1.024 616 V CB -2.298 29.460 31.823 -0.108 0.000 0.648 616 V HN 0.633 nan 8.190 nan 0.000 0.447 617 P HA -0.115 nan 4.420 nan 0.000 0.215 617 P C 0.950 178.219 177.300 -0.052 0.000 1.153 617 P CA 1.602 64.667 63.100 -0.058 0.000 0.853 617 P CB -0.069 31.618 31.700 -0.023 0.000 0.788 618 D N -1.559 118.805 120.400 -0.059 0.000 2.097 618 D HA -0.112 4.527 4.640 -0.001 0.000 0.197 618 D C 1.867 178.104 176.300 -0.106 0.000 0.984 618 D CA 1.472 55.443 54.000 -0.048 0.000 0.826 618 D CB -0.927 39.848 40.800 -0.042 0.000 0.973 618 D HN 0.103 nan 8.370 nan 0.000 0.460 619 T N 0.139 114.554 114.554 -0.232 0.000 2.746 619 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 619 T C 2.048 176.432 174.700 -0.528 0.000 1.039 619 T CA 1.267 63.096 62.100 -0.451 0.000 1.142 619 T CB -0.410 68.157 68.868 -0.501 0.000 0.866 619 T HN 0.184 nan 8.240 nan 0.000 0.444 620 A N 1.628 124.217 122.820 -0.386 0.000 1.902 620 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 620 A C 2.311 179.950 177.584 0.093 0.000 1.181 620 A CA 1.739 53.615 52.037 -0.269 0.000 0.623 620 A CB -0.584 18.259 19.000 -0.261 0.000 0.818 620 A HN 0.399 nan 8.150 nan 0.000 0.443 621 R N -2.134 118.399 120.500 0.054 0.000 2.081 621 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 621 R C 2.045 178.404 176.300 0.099 0.000 1.131 621 R CA 1.728 57.886 56.100 0.096 0.000 0.960 621 R CB -0.483 29.855 30.300 0.064 0.000 0.856 621 R HN 0.627 nan 8.270 nan 0.000 0.436 622 Y N 0.330 120.590 120.300 -0.067 0.000 2.053 622 Y HA -0.348 4.201 4.550 -0.001 0.000 0.277 622 Y C 1.768 177.705 175.900 0.062 0.000 1.159 622 Y CA 2.150 60.196 58.100 -0.089 0.000 1.125 622 Y CB -0.706 37.568 38.460 -0.311 0.000 0.969 622 Y HN 0.135 nan 8.280 nan 0.000 0.492 623 Y N 0.131 120.553 120.300 0.204 0.000 2.128 623 Y HA -0.355 4.195 4.550 -0.001 0.000 0.284 623 Y C 2.790 178.799 175.900 0.182 0.000 1.154 623 Y CA 1.375 59.601 58.100 0.211 0.000 1.149 623 Y CB -0.319 38.313 38.460 0.286 0.000 0.976 623 Y HN 0.124 nan 8.280 nan 0.000 0.505 624 K N 0.956 121.577 120.400 0.368 0.000 1.991 624 K HA -0.271 4.048 4.320 -0.001 0.000 0.212 624 K C 1.899 178.574 176.600 0.124 0.000 1.049 624 K CA 2.086 58.508 56.287 0.225 0.000 0.932 624 K CB -0.269 32.340 32.500 0.182 0.000 0.717 624 K HN 0.451 nan 8.250 nan 0.000 0.441 625 Q N -1.057 118.796 119.800 0.088 0.000 2.515 625 Q HA -0.118 4.222 4.340 -0.001 0.000 0.214 625 Q C 0.664 176.654 176.000 -0.018 0.000 0.971 625 Q CA 1.024 56.844 55.803 0.028 0.000 0.952 625 Q CB 0.052 28.796 28.738 0.009 0.000 0.999 625 Q HN 0.545 nan 8.270 nan 0.000 0.524 626 H N -0.467 118.545 119.070 -0.096 0.000 2.827 626 H HA 0.185 4.740 4.556 -0.001 0.000 0.269 626 H C 0.554 175.875 175.328 -0.012 0.000 1.031 626 H CA 0.331 56.328 56.048 -0.086 0.000 1.202 626 H CB 1.319 31.002 29.762 -0.132 0.000 1.511 626 H HN 0.541 nan 8.280 nan 0.000 0.517 627 G N 1.937 110.798 108.800 0.102 0.000 2.171 627 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.238 627 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.238 627 G C -0.038 174.909 174.900 0.078 0.000 1.039 627 G CA -0.023 45.115 45.100 0.063 0.000 0.759 627 G HN 0.273 nan 8.290 nan 0.000 0.501 628 I N 0.745 121.395 120.570 0.133 0.000 2.297 628 I HA 0.381 4.551 4.170 -0.001 0.000 0.291 628 I C 0.939 177.111 176.117 0.092 0.000 1.033 628 I CA -0.732 60.612 61.300 0.072 0.000 1.253 628 I CB 0.845 38.852 38.000 0.012 0.000 1.396 628 I HN 0.050 nan 8.210 nan 0.000 0.476 629 R N 7.004 127.510 120.500 0.009 0.000 2.441 629 R HA 0.405 4.744 4.340 -0.001 0.000 0.284 629 R C -0.791 175.503 176.300 -0.011 0.000 1.070 629 R CA -0.185 55.878 56.100 -0.063 0.000 1.047 629 R CB 1.062 31.313 30.300 -0.081 0.000 1.016 629 R HN 0.633 nan 8.270 nan 0.000 0.477 630 W N 0.750 122.039 121.300 -0.020 0.000 2.967 630 W HA 0.739 5.399 4.660 -0.001 0.000 0.342 630 W C -1.476 175.046 176.519 0.005 0.000 1.162 630 W CA -1.101 56.228 57.345 -0.027 0.000 1.085 630 W CB 0.421 29.898 29.460 0.029 0.000 1.460 630 W HN 0.174 nan 8.180 nan 0.000 0.584 631 V N 1.240 121.379 119.914 0.375 0.000 2.962 631 V HA 0.515 4.634 4.120 -0.001 0.000 0.313 631 V C -0.561 175.733 176.094 0.334 0.000 1.099 631 V CA -0.973 61.468 62.300 0.236 0.000 0.971 631 V CB 2.126 34.004 31.823 0.090 0.000 1.028 631 V HN 0.412 nan 8.190 nan 0.000 0.430 632 V N 4.515 124.585 119.914 0.260 0.000 2.513 632 V HA 0.535 4.655 4.120 -0.001 0.000 0.299 632 V C -0.583 175.553 176.094 0.069 0.000 1.035 632 V CA -0.602 61.822 62.300 0.206 0.000 0.889 632 V CB 1.869 33.855 31.823 0.273 0.000 0.988 632 V HN 0.535 nan 8.190 nan 0.000 0.440 633 I N 3.648 124.258 120.570 0.065 0.000 2.377 633 I HA 0.707 4.877 4.170 -0.001 0.000 0.293 633 I C 0.609 176.790 176.117 0.106 0.000 0.987 633 I CA 0.147 61.486 61.300 0.066 0.000 1.185 633 I CB 1.251 39.305 38.000 0.090 0.000 1.341 633 I HN 0.751 nan 8.210 nan 0.000 0.455 634 G N 4.308 113.142 108.800 0.056 0.000 3.015 634 G HA2 0.488 4.448 3.960 -0.001 0.000 0.281 634 G HA3 0.488 4.448 3.960 -0.001 0.000 0.281 634 G C -0.762 174.221 174.900 0.139 0.000 1.386 634 G CA -0.146 45.002 45.100 0.080 0.000 0.959 634 G HN 0.461 nan 8.290 nan 0.000 0.522 635 D N -0.888 119.520 120.400 0.013 0.000 2.540 635 D HA 0.280 4.920 4.640 -0.001 0.000 0.229 635 D C -0.131 176.103 176.300 -0.110 0.000 1.258 635 D CA -0.228 53.643 54.000 -0.215 0.000 1.158 635 D CB 0.753 41.423 40.800 -0.217 0.000 1.178 635 D HN 0.331 nan 8.370 nan 0.000 0.541 636 E N 0.740 120.896 120.200 -0.074 0.000 2.266 636 E HA 0.156 4.506 4.350 -0.001 0.000 0.277 636 E C -0.288 176.334 176.600 0.038 0.000 1.018 636 E CA -0.202 56.184 56.400 -0.023 0.000 0.840 636 E CB 0.769 30.457 29.700 -0.019 0.000 1.082 636 E HN 0.371 nan 8.360 nan 0.000 0.395 637 N N 2.852 121.582 118.700 0.050 0.000 2.696 637 N HA -0.269 4.471 4.740 -0.001 0.000 0.256 637 N C -1.262 174.327 175.510 0.131 0.000 1.031 637 N CA -0.051 53.056 53.050 0.094 0.000 0.730 637 N CB -0.631 37.901 38.487 0.076 0.000 0.894 637 N HN 0.457 nan 8.380 nan 0.000 0.544 638 Y N 0.456 120.770 120.300 0.023 0.000 2.377 638 Y HA 0.354 4.903 4.550 -0.001 0.000 0.330 638 Y C 1.372 177.425 175.900 0.254 0.000 1.108 638 Y CA 1.343 59.494 58.100 0.084 0.000 1.308 638 Y CB 0.981 39.421 38.460 -0.034 0.000 1.216 638 Y HN 0.349 nan 8.280 nan 0.000 0.518 639 G N 4.055 112.650 108.800 -0.341 0.000 2.171 639 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.238 639 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.238 639 G C -0.048 174.773 174.900 -0.132 0.000 1.039 639 G CA 0.103 44.983 45.100 -0.366 0.000 0.759 639 G HN 0.766 nan 8.290 nan 0.000 0.501 640 E N 0.105 120.226 120.200 -0.132 0.000 2.384 640 E HA 0.480 4.829 4.350 -0.001 0.000 0.266 640 E C 1.139 177.623 176.600 -0.193 0.000 1.012 640 E CA 1.225 57.560 56.400 -0.108 0.000 0.901 640 E CB 0.433 30.066 29.700 -0.112 0.000 0.967 640 E HN 1.552 nan 8.360 nan 0.000 0.435 641 G N 3.005 111.718 108.800 -0.145 0.000 2.395 641 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.201 641 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.201 641 G C -0.652 174.199 174.900 -0.082 0.000 1.206 641 G CA -0.219 44.786 45.100 -0.159 0.000 1.210 641 G HN 0.594 nan 8.290 nan 0.000 0.557 642 S N 0.640 116.301 115.700 -0.065 0.000 2.560 642 S HA 0.387 4.857 4.470 -0.001 0.000 0.284 642 S C 1.822 176.425 174.600 0.006 0.000 1.327 642 S CA 0.628 58.825 58.200 -0.004 0.000 1.055 642 S CB 1.420 64.633 63.200 0.022 0.000 0.868 642 S HN 1.753 nan 8.310 nan 0.000 0.506 643 S N 2.070 117.791 115.700 0.035 0.000 2.481 643 S HA -0.077 4.392 4.470 -0.001 0.000 0.231 643 S C 0.849 175.504 174.600 0.092 0.000 0.996 643 S CA 0.046 58.280 58.200 0.057 0.000 0.942 643 S CB -0.404 62.827 63.200 0.051 0.000 0.768 643 S HN 0.691 nan 8.310 nan 0.000 0.520 644 R N 2.733 123.292 120.500 0.098 0.000 4.623 644 R HA -0.187 4.152 4.340 -0.001 0.000 0.127 644 R C 1.289 177.723 176.300 0.225 0.000 0.246 644 R CA 0.873 57.071 56.100 0.164 0.000 0.862 644 R CB -0.302 30.052 30.300 0.089 0.000 1.016 644 R HN 0.783 nan 8.270 nan 0.000 0.252 645 E N 1.837 122.182 120.200 0.243 0.000 2.418 645 E HA -0.212 4.138 4.350 -0.001 0.000 0.197 645 E C 0.389 177.054 176.600 0.109 0.000 1.026 645 E CA 1.178 57.660 56.400 0.136 0.000 0.862 645 E CB -0.008 29.710 29.700 0.030 0.000 0.799 645 E HN 0.762 nan 8.360 nan 0.000 0.518 646 H N 1.012 120.140 119.070 0.096 0.000 2.489 646 H HA 0.018 4.574 4.556 -0.001 0.000 0.293 646 H C 1.882 177.276 175.328 0.110 0.000 1.066 646 H CA 1.438 57.546 56.048 0.100 0.000 1.305 646 H CB 0.021 29.835 29.762 0.087 0.000 1.386 646 H HN 0.149 nan 8.280 nan 0.000 0.551 647 S N -0.374 115.463 115.700 0.229 0.000 2.474 647 S HA -0.048 4.422 4.470 -0.001 0.000 0.235 647 S C 2.143 176.944 174.600 0.335 0.000 0.997 647 S CA 0.780 59.102 58.200 0.203 0.000 0.949 647 S CB 0.029 63.266 63.200 0.062 0.000 0.766 647 S HN 0.629 nan 8.310 nan 0.000 0.517 648 A N 0.617 123.599 122.820 0.270 0.000 2.013 648 A HA 0.410 4.730 4.320 -0.001 0.000 0.204 648 A C 1.878 179.533 177.584 0.118 0.000 1.262 648 A CA -0.030 52.115 52.037 0.181 0.000 0.800 648 A CB -0.367 18.682 19.000 0.082 0.000 0.909 648 A HN 0.360 nan 8.150 nan 0.000 0.472 649 L N 0.106 121.401 121.223 0.120 0.000 2.046 649 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 649 L C 2.531 179.515 176.870 0.191 0.000 1.077 649 L CA 1.705 56.643 54.840 0.164 0.000 0.747 649 L CB -0.407 41.720 42.059 0.113 0.000 0.896 649 L HN 0.459 nan 8.230 nan 0.000 0.432 650 E N -0.350 119.964 120.200 0.191 0.000 2.058 650 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 650 E C -0.538 176.216 176.600 0.256 0.000 0.997 650 E CA 1.346 57.881 56.400 0.225 0.000 0.801 650 E CB -0.924 28.888 29.700 0.188 0.000 0.746 650 E HN 0.462 nan 8.360 nan 0.000 0.450 651 P HA -0.142 nan 4.420 nan 0.000 0.220 651 P C 1.148 178.457 177.300 0.015 0.000 1.148 651 P CA 1.118 64.383 63.100 0.274 0.000 0.803 651 P CB 0.084 31.950 31.700 0.276 0.000 0.782 652 R N -0.993 119.467 120.500 -0.066 0.000 2.073 652 R HA -0.122 4.217 4.340 -0.001 0.000 0.229 652 R C 2.421 178.596 176.300 -0.207 0.000 1.120 652 R CA 1.504 57.409 56.100 -0.325 0.000 0.967 652 R CB -1.579 28.313 30.300 -0.680 0.000 0.862 652 R HN 0.270 nan 8.270 nan 0.000 0.436 653 H N -0.287 118.765 119.070 -0.030 0.000 2.387 653 H HA -0.025 4.530 4.556 -0.001 0.000 0.299 653 H C 0.761 176.170 175.328 0.134 0.000 1.090 653 H CA 1.395 57.528 56.048 0.142 0.000 1.332 653 H CB 0.222 30.114 29.762 0.217 0.000 1.386 653 H HN 0.181 nan 8.280 nan 0.000 0.516 654 L N 0.270 121.583 121.223 0.151 0.000 2.688 654 L HA 0.144 4.484 4.340 -0.001 0.000 0.234 654 L C 1.245 178.295 176.870 0.300 0.000 1.192 654 L CA 0.503 55.477 54.840 0.222 0.000 0.984 654 L CB 0.461 42.752 42.059 0.388 0.000 1.232 654 L HN 0.530 nan 8.230 nan 0.000 0.465 655 G N -0.369 108.410 108.800 -0.035 0.000 2.141 655 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.231 655 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.231 655 G C 0.537 174.904 174.900 -0.888 0.000 0.984 655 G CA -0.218 44.737 45.100 -0.241 0.000 0.660 655 G HN 0.528 nan 8.290 nan 0.000 0.525 656 G N -0.908 107.085 108.800 -1.344 0.000 2.467 656 G HA2 0.527 4.487 3.960 -0.001 0.000 0.257 656 G HA3 0.527 4.487 3.960 -0.001 0.000 0.257 656 G C 0.764 175.239 174.900 -0.708 0.000 1.227 656 G CA -0.146 43.928 45.100 -1.710 0.000 0.835 656 G HN 0.211 nan 8.290 nan 0.000 0.556 657 R N 0.934 121.142 120.500 -0.488 0.000 2.194 657 R HA 0.362 4.702 4.340 -0.001 0.000 0.194 657 R C 0.678 176.901 176.300 -0.129 0.000 0.985 657 R CA 0.747 56.708 56.100 -0.232 0.000 1.104 657 R CB 0.455 30.654 30.300 -0.169 0.000 1.092 657 R HN 0.588 nan 8.270 nan 0.000 0.555 658 A N 0.994 123.752 122.820 -0.104 0.000 2.539 658 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 658 A C -1.420 176.175 177.584 0.018 0.000 1.073 658 A CA -0.538 51.471 52.037 -0.046 0.000 0.700 658 A CB 1.550 20.506 19.000 -0.074 0.000 1.296 658 A HN 0.038 nan 8.150 nan 0.000 0.405 659 I N 1.463 122.065 120.570 0.053 0.000 2.439 659 I HA 0.426 4.595 4.170 -0.001 0.000 0.285 659 I C -0.747 175.384 176.117 0.023 0.000 1.021 659 I CA 0.048 61.390 61.300 0.069 0.000 1.091 659 I CB 1.551 39.654 38.000 0.173 0.000 1.242 659 I HN 0.499 nan 8.210 nan 0.000 0.439 660 I N 6.378 126.862 120.570 -0.144 0.000 2.362 660 I HA 0.541 4.711 4.170 -0.001 0.000 0.289 660 I C 0.120 175.892 176.117 -0.575 0.000 0.994 660 I CA -0.203 60.891 61.300 -0.344 0.000 1.158 660 I CB 1.512 39.310 38.000 -0.337 0.000 1.315 660 I HN 0.635 nan 8.210 nan 0.000 0.451 661 T N 1.032 115.127 114.554 -0.766 0.000 2.864 661 T HA 0.462 4.811 4.350 -0.001 0.000 0.289 661 T C 0.533 174.931 174.700 -0.502 0.000 1.082 661 T CA -0.923 60.778 62.100 -0.665 0.000 1.009 661 T CB 2.188 70.442 68.868 -1.023 0.000 1.234 661 T HN 0.423 nan 8.240 nan 0.000 0.526 662 K N 0.395 120.737 120.400 -0.097 0.000 2.137 662 K HA 0.202 4.522 4.320 -0.001 0.000 0.202 662 K C 0.395 176.952 176.600 -0.071 0.000 1.052 662 K CA 0.747 57.083 56.287 0.082 0.000 0.961 662 K CB 0.083 32.616 32.500 0.054 0.000 0.741 662 K HN 0.781 nan 8.250 nan 0.000 0.452 663 S N -0.430 115.164 115.700 -0.177 0.000 2.537 663 S HA 0.513 4.983 4.470 -0.001 0.000 0.271 663 S C -1.015 173.501 174.600 -0.140 0.000 1.148 663 S CA -1.077 57.062 58.200 -0.102 0.000 0.868 663 S CB 0.852 64.052 63.200 -0.000 0.000 1.115 663 S HN 0.001 nan 8.310 nan 0.000 0.461 664 F N 0.914 120.933 119.950 0.115 0.000 2.541 664 F HA 0.818 5.344 4.527 -0.001 0.000 0.331 664 F C 0.780 176.663 175.800 0.139 0.000 1.057 664 F CA -0.706 57.401 58.000 0.179 0.000 0.975 664 F CB 1.647 40.749 39.000 0.170 0.000 1.246 664 F HN 0.933 nan 8.300 nan 0.000 0.484 665 A N 1.844 124.904 122.820 0.400 0.000 2.316 665 A HA 0.394 4.714 4.320 -0.001 0.000 0.284 665 A C 1.358 179.076 177.584 0.224 0.000 1.115 665 A CA -0.518 51.660 52.037 0.235 0.000 0.812 665 A CB 0.740 19.842 19.000 0.169 0.000 1.064 665 A HN 0.980 nan 8.150 nan 0.000 0.489 666 R N 1.127 121.715 120.500 0.146 0.000 2.122 666 R HA -0.186 4.154 4.340 -0.001 0.000 0.236 666 R C 1.559 177.921 176.300 0.105 0.000 1.129 666 R CA 2.476 58.642 56.100 0.108 0.000 0.925 666 R CB -0.439 29.911 30.300 0.083 0.000 0.850 666 R HN 0.853 nan 8.270 nan 0.000 0.431 667 I N -0.657 119.981 120.570 0.113 0.000 2.315 667 I HA -0.255 3.915 4.170 -0.001 0.000 0.248 667 I C 2.480 178.681 176.117 0.140 0.000 1.117 667 I CA 1.290 62.660 61.300 0.116 0.000 1.404 667 I CB -0.461 37.600 38.000 0.101 0.000 1.071 667 I HN 0.355 nan 8.210 nan 0.000 0.419 668 H N 1.039 120.141 119.070 0.053 0.000 2.387 668 H HA -0.188 4.368 4.556 -0.001 0.000 0.299 668 H C 2.108 177.426 175.328 -0.016 0.000 1.090 668 H CA 1.868 57.946 56.048 0.050 0.000 1.332 668 H CB 0.009 29.833 29.762 0.103 0.000 1.386 668 H HN 0.311 nan 8.280 nan 0.000 0.516 669 E N -1.001 119.119 120.200 -0.134 0.000 2.150 669 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 669 E C 1.656 178.117 176.600 -0.231 0.000 0.985 669 E CA 1.397 57.571 56.400 -0.377 0.000 0.814 669 E CB 0.154 29.674 29.700 -0.300 0.000 0.752 669 E HN 0.517 nan 8.360 nan 0.000 0.466 670 T N 0.614 115.120 114.554 -0.079 0.000 2.821 670 T HA -0.110 4.239 4.350 -0.001 0.000 0.267 670 T C 1.419 176.096 174.700 -0.039 0.000 1.046 670 T CA 1.484 63.574 62.100 -0.018 0.000 1.139 670 T CB -0.351 68.557 68.868 0.068 0.000 0.871 670 T HN 0.315 nan 8.240 nan 0.000 0.454 671 N N 0.968 119.637 118.700 -0.051 0.000 2.142 671 N HA 0.038 4.777 4.740 -0.001 0.000 0.186 671 N C 1.800 177.255 175.510 -0.091 0.000 1.023 671 N CA 0.730 53.754 53.050 -0.042 0.000 0.852 671 N CB -0.322 38.187 38.487 0.038 0.000 0.998 671 N HN 0.261 nan 8.380 nan 0.000 0.424 672 L N 1.389 122.488 121.223 -0.205 0.000 2.017 672 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 672 L C 2.197 179.030 176.870 -0.062 0.000 1.073 672 L CA 1.390 56.124 54.840 -0.176 0.000 0.745 672 L CB -0.377 41.496 42.059 -0.309 0.000 0.894 672 L HN 0.115 nan 8.230 nan 0.000 0.432 673 K N -0.230 120.121 120.400 -0.081 0.000 2.097 673 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 673 K C 2.188 178.918 176.600 0.216 0.000 1.049 673 K CA 0.988 57.301 56.287 0.044 0.000 0.933 673 K CB -0.061 32.322 32.500 -0.195 0.000 0.717 673 K HN 0.116 nan 8.250 nan 0.000 0.442 674 K N 0.655 121.055 120.400 -0.001 0.000 2.148 674 K HA -0.074 4.245 4.320 -0.001 0.000 0.204 674 K C 1.458 177.994 176.600 -0.107 0.000 1.050 674 K CA 1.101 57.225 56.287 -0.273 0.000 0.942 674 K CB 0.127 32.432 32.500 -0.325 0.000 0.724 674 K HN 0.168 nan 8.250 nan 0.000 0.446 675 Q N -0.253 119.545 119.800 -0.005 0.000 2.225 675 Q HA 0.152 4.492 4.340 -0.001 0.000 0.222 675 Q C 0.608 176.623 176.000 0.025 0.000 0.887 675 Q CA 0.229 56.064 55.803 0.054 0.000 0.958 675 Q CB 0.330 29.099 28.738 0.050 0.000 1.058 675 Q HN 0.464 nan 8.270 nan 0.000 0.459 676 G N 0.678 109.549 108.800 0.119 0.000 2.153 676 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 676 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 676 G C 0.058 175.066 174.900 0.180 0.000 0.994 676 G CA 0.293 45.491 45.100 0.163 0.000 0.698 676 G HN 0.348 nan 8.290 nan 0.000 0.521 677 L N -0.809 120.494 121.223 0.133 0.000 2.431 677 L HA 0.693 5.033 4.340 -0.001 0.000 0.260 677 L C 0.919 177.886 176.870 0.161 0.000 1.098 677 L CA -1.051 53.839 54.840 0.083 0.000 0.800 677 L CB 1.128 43.179 42.059 -0.013 0.000 1.210 677 L HN 0.038 nan 8.230 nan 0.000 0.465 678 L N 3.454 124.703 121.223 0.044 0.000 2.283 678 L HA 0.364 4.704 4.340 -0.001 0.000 0.281 678 L C -2.226 174.661 176.870 0.028 0.000 1.033 678 L CA -1.660 53.166 54.840 -0.024 0.000 0.848 678 L CB 1.199 43.107 42.059 -0.252 0.000 1.226 678 L HN 0.259 nan 8.230 nan 0.000 0.429 679 P HA 0.306 nan 4.420 nan 0.000 0.287 679 P C -1.016 176.409 177.300 0.209 0.000 1.307 679 P CA -0.108 62.976 63.100 -0.026 0.000 0.777 679 P CB 1.138 32.509 31.700 -0.549 0.000 0.883 680 L N 3.213 124.609 121.223 0.289 0.000 2.401 680 L HA 0.592 4.932 4.340 -0.001 0.000 0.266 680 L C 0.574 177.463 176.870 0.032 0.000 0.991 680 L CA -0.569 54.357 54.840 0.143 0.000 0.818 680 L CB 2.666 44.708 42.059 -0.028 0.000 1.321 680 L HN 0.307 nan 8.230 nan 0.000 0.413 681 T N -1.993 112.549 114.554 -0.021 0.000 2.912 681 T HA 0.631 4.981 4.350 -0.001 0.000 0.288 681 T C -0.352 174.248 174.700 -0.166 0.000 1.030 681 T CA -0.666 61.323 62.100 -0.184 0.000 1.020 681 T CB 1.162 70.018 68.868 -0.019 0.000 1.056 681 T HN 0.084 nan 8.240 nan 0.000 0.480 682 F N 1.084 121.035 119.950 0.002 0.000 2.529 682 F HA 0.448 4.975 4.527 -0.001 0.000 0.365 682 F C 1.711 177.514 175.800 0.007 0.000 1.102 682 F CA -0.699 57.306 58.000 0.008 0.000 1.271 682 F CB 0.214 39.221 39.000 0.013 0.000 1.120 682 F HN 0.850 nan 8.300 nan 0.000 0.579 683 A N 0.937 123.872 122.820 0.191 0.000 2.119 683 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 683 A C 0.335 177.977 177.584 0.098 0.000 1.152 683 A CA 0.995 53.095 52.037 0.105 0.000 0.708 683 A CB -0.400 18.640 19.000 0.066 0.000 0.805 683 A HN 0.652 nan 8.150 nan 0.000 0.460 684 D N -1.530 118.944 120.400 0.124 0.000 2.620 684 D HA 0.311 4.950 4.640 -0.001 0.000 0.252 684 D C -2.343 173.980 176.300 0.038 0.000 1.207 684 D CA -2.024 52.011 54.000 0.059 0.000 0.884 684 D CB 1.911 42.725 40.800 0.023 0.000 1.262 684 D HN -0.085 nan 8.370 nan 0.000 0.552 685 P HA 0.010 nan 4.420 nan 0.000 0.230 685 P C 0.884 178.084 177.300 -0.166 0.000 1.158 685 P CA 0.320 63.395 63.100 -0.041 0.000 0.769 685 P CB 0.298 32.000 31.700 0.003 0.000 0.807 686 A N 0.248 122.997 122.820 -0.118 0.000 2.067 686 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 686 A C 1.821 179.307 177.584 -0.165 0.000 1.156 686 A CA 1.153 53.127 52.037 -0.105 0.000 0.683 686 A CB -0.894 18.073 19.000 -0.056 0.000 0.808 686 A HN 0.019 nan 8.150 nan 0.000 0.455 687 D N -1.334 118.913 120.400 -0.255 0.000 2.218 687 D HA -0.166 4.474 4.640 -0.001 0.000 0.204 687 D C 1.416 177.392 176.300 -0.540 0.000 0.976 687 D CA 1.068 54.878 54.000 -0.316 0.000 0.853 687 D CB -0.443 40.222 40.800 -0.224 0.000 0.939 687 D HN 0.659 nan 8.370 nan 0.000 0.481 688 Y N 1.855 121.489 120.300 -1.110 0.000 2.283 688 Y HA -0.249 4.300 4.550 -0.001 0.000 0.285 688 Y C 1.483 177.152 175.900 -0.384 0.000 1.176 688 Y CA 1.421 59.008 58.100 -0.854 0.000 1.229 688 Y CB -0.126 37.940 38.460 -0.657 0.000 0.975 688 Y HN -0.033 nan 8.280 nan 0.000 0.537 689 N N -0.076 118.488 118.700 -0.227 0.000 2.446 689 N HA -0.062 4.677 4.740 -0.001 0.000 0.179 689 N C 1.271 176.637 175.510 -0.241 0.000 1.054 689 N CA 0.695 53.615 53.050 -0.216 0.000 0.905 689 N CB -0.000 38.440 38.487 -0.078 0.000 0.973 689 N HN 0.287 nan 8.380 nan 0.000 0.448 690 K N 0.634 120.925 120.400 -0.183 0.000 2.296 690 K HA 0.227 4.547 4.320 -0.001 0.000 0.200 690 K C 0.568 177.132 176.600 -0.060 0.000 1.048 690 K CA 0.232 56.491 56.287 -0.046 0.000 0.966 690 K CB 0.298 32.812 32.500 0.023 0.000 0.754 690 K HN 0.156 nan 8.250 nan 0.000 0.466 691 I N 1.281 121.702 120.570 -0.248 0.000 2.365 691 I HA 0.139 4.309 4.170 -0.001 0.000 0.291 691 I C -0.389 175.469 176.117 -0.432 0.000 1.004 691 I CA -0.593 60.582 61.300 -0.209 0.000 1.311 691 I CB 0.952 38.877 38.000 -0.124 0.000 1.401 691 I HN 0.118 nan 8.210 nan 0.000 0.491 692 H N 5.837 124.873 119.070 -0.057 0.000 2.731 692 H HA 0.307 4.862 4.556 -0.001 0.000 0.368 692 H C -1.896 173.406 175.328 -0.044 0.000 1.168 692 H CA -1.768 54.251 56.048 -0.048 0.000 1.181 692 H CB 1.024 30.787 29.762 0.000 0.000 1.743 692 H HN 0.262 nan 8.280 nan 0.000 0.547 693 P HA -0.242 nan 4.420 nan 0.000 0.218 693 P C 1.440 178.755 177.300 0.026 0.000 1.152 693 P CA 1.101 64.223 63.100 0.036 0.000 0.857 693 P CB 0.329 32.052 31.700 0.038 0.000 0.787 694 V N -1.220 118.722 119.914 0.047 0.000 3.129 694 V HA -0.041 4.078 4.120 -0.001 0.000 0.259 694 V C 0.512 176.608 176.094 0.004 0.000 1.116 694 V CA 0.982 63.294 62.300 0.020 0.000 1.127 694 V CB -0.737 31.100 31.823 0.022 0.000 0.742 694 V HN 0.031 nan 8.190 nan 0.000 0.474 695 D N 1.139 121.541 120.400 0.003 0.000 2.357 695 D HA 0.268 4.908 4.640 -0.001 0.000 0.242 695 D C -0.107 176.153 176.300 -0.067 0.000 1.153 695 D CA 0.136 54.093 54.000 -0.072 0.000 0.918 695 D CB 0.622 41.333 40.800 -0.147 0.000 1.181 695 D HN 0.132 nan 8.370 nan 0.000 0.435 696 K N 0.925 121.276 120.400 -0.081 0.000 2.259 696 K HA 0.525 4.845 4.320 -0.001 0.000 0.252 696 K C -0.252 176.309 176.600 -0.064 0.000 0.936 696 K CA -0.637 55.614 56.287 -0.060 0.000 0.810 696 K CB 1.641 34.112 32.500 -0.049 0.000 1.143 696 K HN 0.314 nan 8.250 nan 0.000 0.427 697 L N 0.898 122.094 121.223 -0.046 0.000 2.330 697 L HA 0.572 4.912 4.340 -0.001 0.000 0.271 697 L C 0.026 176.875 176.870 -0.035 0.000 1.013 697 L CA -0.815 54.000 54.840 -0.042 0.000 0.816 697 L CB 2.028 44.070 42.059 -0.028 0.000 1.287 697 L HN 0.433 nan 8.230 nan 0.000 0.435 698 T N 2.680 117.214 114.554 -0.033 0.000 2.841 698 T HA 0.565 4.915 4.350 -0.001 0.000 0.285 698 T C -0.379 174.298 174.700 -0.039 0.000 0.991 698 T CA -0.271 61.811 62.100 -0.030 0.000 0.966 698 T CB 1.257 70.112 68.868 -0.022 0.000 0.962 698 T HN 0.268 nan 8.240 nan 0.000 0.438 699 I N 3.416 123.954 120.570 -0.053 0.000 2.339 699 I HA 0.412 4.581 4.170 -0.001 0.000 0.290 699 I C 0.072 176.139 176.117 -0.083 0.000 0.994 699 I CA -0.563 60.683 61.300 -0.089 0.000 1.191 699 I CB 1.594 39.514 38.000 -0.133 0.000 1.343 699 I HN 0.423 nan 8.210 nan 0.000 0.458 700 Q N 4.476 124.225 119.800 -0.085 0.000 2.340 700 Q HA 0.599 4.938 4.340 -0.001 0.000 0.268 700 Q C 0.197 176.146 176.000 -0.085 0.000 1.031 700 Q CA -0.303 55.464 55.803 -0.060 0.000 0.804 700 Q CB 1.925 30.643 28.738 -0.032 0.000 1.286 700 Q HN 0.894 nan 8.270 nan 0.000 0.448 701 G N 2.914 111.676 108.800 -0.063 0.000 2.151 701 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.140 701 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.140 701 G C 0.354 175.199 174.900 -0.093 0.000 1.020 701 G CA 0.099 45.166 45.100 -0.056 0.000 0.688 701 G HN 0.623 nan 8.290 nan 0.000 0.500 702 L N 0.194 121.360 121.223 -0.095 0.000 2.141 702 L HA -0.030 4.310 4.340 -0.001 0.000 0.209 702 L C 2.921 179.871 176.870 0.133 0.000 1.094 702 L CA 1.489 56.223 54.840 -0.178 0.000 0.763 702 L CB -0.481 41.524 42.059 -0.090 0.000 0.908 702 L HN 0.145 nan 8.230 nan 0.000 0.437 703 K N 1.053 121.611 120.400 0.263 0.000 2.074 703 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 703 K C 0.302 177.020 176.600 0.196 0.000 1.048 703 K CA 1.673 58.134 56.287 0.289 0.000 0.926 703 K CB -0.560 32.044 32.500 0.174 0.000 0.713 703 K HN 0.550 nan 8.250 nan 0.000 0.444 704 D N -1.008 119.470 120.400 0.131 0.000 2.963 704 D HA 0.092 4.732 4.640 -0.001 0.000 0.361 704 D C -0.601 175.776 176.300 0.128 0.000 1.317 704 D CA -0.479 53.587 54.000 0.110 0.000 0.832 704 D CB -0.793 40.051 40.800 0.074 0.000 1.135 704 D HN 0.061 nan 8.370 nan 0.000 0.476 705 F N 1.683 121.581 119.950 -0.085 0.000 2.502 705 F HA 0.440 4.967 4.527 -0.001 0.000 0.371 705 F C -0.273 175.450 175.800 -0.129 0.000 1.083 705 F CA -0.721 57.160 58.000 -0.198 0.000 1.174 705 F CB 0.456 39.235 39.000 -0.368 0.000 1.096 705 F HN 0.222 nan 8.300 nan 0.000 0.545 706 A N 7.718 130.634 122.820 0.161 0.000 2.414 706 A HA 0.637 4.957 4.320 -0.001 0.000 0.306 706 A C -2.775 174.895 177.584 0.143 0.000 1.054 706 A CA -2.042 50.029 52.037 0.056 0.000 0.724 706 A CB 1.431 20.475 19.000 0.073 0.000 1.267 706 A HN 0.511 nan 8.150 nan 0.000 0.418 707 P HA 0.184 nan 4.420 nan 0.000 0.263 707 P C 1.268 178.624 177.300 0.094 0.000 1.175 707 P CA 2.279 65.457 63.100 0.131 0.000 0.761 707 P CB 0.561 32.280 31.700 0.031 0.000 0.794 708 G N 2.251 111.056 108.800 0.009 0.000 2.480 708 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.246 708 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.246 708 G C 0.450 175.321 174.900 -0.048 0.000 1.073 708 G CA 0.261 45.327 45.100 -0.058 0.000 0.643 708 G HN 0.686 nan 8.290 nan 0.000 0.525 709 K N 2.735 123.161 120.400 0.044 0.000 2.412 709 K HA 0.273 4.593 4.320 -0.001 0.000 0.284 709 K C -1.738 174.904 176.600 0.069 0.000 1.046 709 K CA -1.050 55.277 56.287 0.066 0.000 0.999 709 K CB 0.831 33.399 32.500 0.114 0.000 0.941 709 K HN 0.260 nan 8.250 nan 0.000 0.474 710 P HA 0.096 nan 4.420 nan 0.000 0.274 710 P C -0.604 176.724 177.300 0.047 0.000 1.246 710 P CA -0.239 62.869 63.100 0.013 0.000 0.795 710 P CB 0.852 32.543 31.700 -0.015 0.000 1.006 711 L N 0.794 122.033 121.223 0.027 0.000 2.331 711 L HA 0.467 4.806 4.340 -0.001 0.000 0.275 711 L C 0.799 177.646 176.870 -0.038 0.000 1.022 711 L CA -0.835 53.975 54.840 -0.051 0.000 0.812 711 L CB 1.546 43.508 42.059 -0.162 0.000 1.257 711 L HN 0.353 nan 8.230 nan 0.000 0.435 712 K N 2.123 122.495 120.400 -0.047 0.000 2.235 712 K HA 0.421 4.741 4.320 -0.001 0.000 0.266 712 K C -1.381 175.199 176.600 -0.033 0.000 0.980 712 K CA -0.465 55.809 56.287 -0.023 0.000 0.849 712 K CB 1.517 34.008 32.500 -0.015 0.000 1.098 712 K HN 0.633 nan 8.250 nan 0.000 0.445 713 C N 6.575 125.867 119.300 -0.013 0.000 2.369 713 C HA 0.594 5.054 4.460 -0.001 0.000 0.322 713 C C -0.583 174.408 174.990 0.001 0.000 1.258 713 C CA -0.808 58.202 59.018 -0.014 0.000 1.487 713 C CB -0.333 27.403 27.740 -0.006 0.000 2.165 713 C HN 0.886 nan 8.230 nan 0.000 0.483 714 I N 6.915 127.480 120.570 -0.009 0.000 2.336 714 I HA 0.392 4.562 4.170 -0.001 0.000 0.292 714 I C -0.052 176.049 176.117 -0.027 0.000 0.991 714 I CA -0.203 61.093 61.300 -0.006 0.000 1.227 714 I CB 1.238 39.234 38.000 -0.007 0.000 1.366 714 I HN 0.523 nan 8.210 nan 0.000 0.466 715 I N 6.715 127.264 120.570 -0.035 0.000 2.325 715 I HA 0.209 4.379 4.170 -0.001 0.000 0.291 715 I C -0.192 175.823 176.117 -0.170 0.000 1.019 715 I CA -0.548 60.676 61.300 -0.127 0.000 1.302 715 I CB 0.654 38.578 38.000 -0.127 0.000 1.401 715 I HN 0.421 nan 8.210 nan 0.000 0.485 716 K N 5.832 126.119 120.400 -0.188 0.000 2.347 716 K HA 0.354 4.674 4.320 -0.001 0.000 0.262 716 K C -0.450 176.055 176.600 -0.160 0.000 1.052 716 K CA -0.440 55.782 56.287 -0.110 0.000 0.946 716 K CB 0.394 32.863 32.500 -0.051 0.000 1.220 716 K HN 0.391 nan 8.250 nan 0.000 0.450 717 H N 2.220 121.295 119.070 0.010 0.000 2.615 717 H HA 0.034 4.589 4.556 -0.001 0.000 0.363 717 H C -1.569 173.755 175.328 -0.008 0.000 1.148 717 H CA -1.752 54.298 56.048 0.003 0.000 1.401 717 H CB 0.833 30.593 29.762 -0.002 0.000 1.461 717 H HN 0.348 nan 8.280 nan 0.000 0.588 718 P HA -0.167 nan 4.420 nan 0.000 0.216 718 P C 0.891 178.214 177.300 0.038 0.000 1.150 718 P CA 1.431 64.558 63.100 0.045 0.000 0.843 718 P CB 0.142 31.857 31.700 0.025 0.000 0.787 719 N N -0.915 117.811 118.700 0.042 0.000 2.485 719 N HA 0.064 4.803 4.740 -0.001 0.000 0.199 719 N C 1.180 176.707 175.510 0.027 0.000 1.236 719 N CA 0.810 53.872 53.050 0.021 0.000 0.852 719 N CB -1.213 37.274 38.487 -0.000 0.000 1.018 719 N HN 0.221 nan 8.380 nan 0.000 0.457 720 G N -1.043 107.783 108.800 0.044 0.000 2.179 720 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 720 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 720 G C 0.239 175.169 174.900 0.050 0.000 0.977 720 G CA 0.626 45.749 45.100 0.038 0.000 0.641 720 G HN 0.812 nan 8.290 nan 0.000 0.533 721 T N -0.897 113.699 114.554 0.069 0.000 2.899 721 T HA 0.598 4.947 4.350 -0.001 0.000 0.295 721 T C 0.004 174.808 174.700 0.174 0.000 1.033 721 T CA 0.485 62.633 62.100 0.079 0.000 1.084 721 T CB 1.821 70.699 68.868 0.017 0.000 0.979 721 T HN 1.189 nan 8.240 nan 0.000 0.532 722 Q N 0.187 120.074 119.800 0.146 0.000 2.495 722 Q HA 0.703 5.043 4.340 -0.001 0.000 0.287 722 Q C -1.416 174.673 176.000 0.148 0.000 1.078 722 Q CA -1.132 54.768 55.803 0.161 0.000 0.793 722 Q CB 2.233 31.012 28.738 0.068 0.000 1.459 722 Q HN 0.762 nan 8.270 nan 0.000 0.422 723 E N 0.071 120.349 120.200 0.130 0.000 2.392 723 E HA 0.579 4.928 4.350 -0.001 0.000 0.269 723 E C -1.299 175.336 176.600 0.058 0.000 0.924 723 E CA -1.037 55.425 56.400 0.104 0.000 0.784 723 E CB 2.734 32.526 29.700 0.152 0.000 1.292 723 E HN 0.589 nan 8.360 nan 0.000 0.447 724 T N 1.526 116.107 114.554 0.045 0.000 2.881 724 T HA 0.572 4.921 4.350 -0.001 0.000 0.290 724 T C -0.600 174.121 174.700 0.036 0.000 1.000 724 T CA -0.544 61.575 62.100 0.032 0.000 0.978 724 T CB 0.597 69.479 68.868 0.024 0.000 0.997 724 T HN 0.448 nan 8.240 nan 0.000 0.443 725 I N 0.103 120.697 120.570 0.040 0.000 3.239 725 I HA 0.734 4.903 4.170 -0.001 0.000 0.314 725 I C -1.481 174.665 176.117 0.048 0.000 1.126 725 I CA -1.446 59.886 61.300 0.055 0.000 0.973 725 I CB 1.742 39.794 38.000 0.087 0.000 1.252 725 I HN 0.368 nan 8.210 nan 0.000 0.463 726 L N 2.550 123.807 121.223 0.058 0.000 2.333 726 L HA 0.652 4.991 4.340 -0.001 0.000 0.269 726 L C -0.982 175.925 176.870 0.061 0.000 1.010 726 L CA -0.907 53.959 54.840 0.043 0.000 0.818 726 L CB 2.147 44.225 42.059 0.032 0.000 1.306 726 L HN 0.505 nan 8.230 nan 0.000 0.430 727 L N 2.289 123.531 121.223 0.031 0.000 2.436 727 L HA 0.479 4.818 4.340 -0.001 0.000 0.268 727 L C -0.749 176.135 176.870 0.023 0.000 0.974 727 L CA -0.661 54.190 54.840 0.018 0.000 0.826 727 L CB 2.287 44.330 42.059 -0.026 0.000 1.291 727 L HN 0.577 nan 8.230 nan 0.000 0.406 728 N N 0.642 119.355 118.700 0.021 0.000 2.485 728 N HA 0.635 5.375 4.740 -0.001 0.000 0.280 728 N C -1.022 174.545 175.510 0.095 0.000 1.205 728 N CA -0.521 52.518 53.050 -0.018 0.000 0.959 728 N CB 1.714 40.177 38.487 -0.040 0.000 1.206 728 N HN 0.674 nan 8.380 nan 0.000 0.545 729 H N -4.121 115.015 119.070 0.110 0.000 2.990 729 H HA 0.441 4.996 4.556 -0.001 0.000 0.336 729 H C -0.443 175.013 175.328 0.213 0.000 1.306 729 H CA -0.808 55.363 56.048 0.205 0.000 1.118 729 H CB 0.589 30.502 29.762 0.253 0.000 1.856 729 H HN 0.393 nan 8.280 nan 0.000 0.538 730 T N -1.602 113.202 114.554 0.417 0.000 3.228 730 T HA 0.311 4.661 4.350 -0.001 0.000 0.278 730 T C -0.422 174.445 174.700 0.278 0.000 1.014 730 T CA -0.475 61.799 62.100 0.290 0.000 0.904 730 T CB -0.980 68.011 68.868 0.207 0.000 1.110 730 T HN 0.327 nan 8.240 nan 0.000 0.541 731 F N 4.503 124.541 119.950 0.147 0.000 2.571 731 F HA 0.291 4.818 4.527 -0.001 0.000 0.384 731 F C 1.113 176.795 175.800 -0.198 0.000 1.058 731 F CA -0.795 57.101 58.000 -0.174 0.000 1.200 731 F CB 0.414 39.167 39.000 -0.411 0.000 1.077 731 F HN 0.316 nan 8.300 nan 0.000 0.558 732 N N 1.886 120.442 118.700 -0.242 0.000 2.447 732 N HA 0.092 4.831 4.740 -0.001 0.000 0.271 732 N C 0.469 175.797 175.510 -0.303 0.000 1.226 732 N CA -0.695 52.217 53.050 -0.230 0.000 0.980 732 N CB 0.382 38.680 38.487 -0.315 0.000 1.206 732 N HN 0.607 nan 8.380 nan 0.000 0.558 733 E N -1.071 118.986 120.200 -0.239 0.000 2.267 733 E HA -0.131 4.219 4.350 -0.001 0.000 0.197 733 E C 0.652 177.068 176.600 -0.306 0.000 0.998 733 E CA 1.223 57.476 56.400 -0.245 0.000 0.830 733 E CB -0.056 29.550 29.700 -0.157 0.000 0.751 733 E HN 0.659 nan 8.360 nan 0.000 0.491 734 T N 0.422 114.737 114.554 -0.398 0.000 2.857 734 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 734 T C 1.630 175.768 174.700 -0.936 0.000 1.048 734 T CA 0.963 62.755 62.100 -0.514 0.000 1.139 734 T CB -0.014 68.572 68.868 -0.470 0.000 0.874 734 T HN 0.223 nan 8.240 nan 0.000 0.455 735 Q N 0.061 119.239 119.800 -1.037 0.000 2.245 735 Q HA 0.177 4.517 4.340 -0.001 0.000 0.201 735 Q C 2.213 178.025 176.000 -0.313 0.000 0.955 735 Q CA 0.668 55.755 55.803 -1.194 0.000 0.870 735 Q CB -0.172 27.898 28.738 -1.112 0.000 0.945 735 Q HN 0.509 nan 8.270 nan 0.000 0.461 736 I N 0.988 121.394 120.570 -0.273 0.000 2.361 736 I HA -0.229 3.940 4.170 -0.001 0.000 0.251 736 I C 1.956 178.037 176.117 -0.060 0.000 1.133 736 I CA 0.814 61.936 61.300 -0.296 0.000 1.413 736 I CB -0.156 37.484 38.000 -0.601 0.000 1.073 736 I HN 0.139 nan 8.210 nan 0.000 0.424 737 E N 0.304 120.441 120.200 -0.106 0.000 2.106 737 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 737 E C 1.979 178.693 176.600 0.191 0.000 0.984 737 E CA 1.074 57.488 56.400 0.023 0.000 0.806 737 E CB -0.233 29.463 29.700 -0.005 0.000 0.750 737 E HN 0.541 nan 8.360 nan 0.000 0.458 738 W N 0.451 121.786 121.300 0.059 0.000 2.358 738 W HA -0.123 4.537 4.660 -0.001 0.000 0.303 738 W C 2.212 178.807 176.519 0.126 0.000 1.208 738 W CA 0.095 57.485 57.345 0.074 0.000 1.274 738 W CB -1.597 27.897 29.460 0.057 0.000 1.138 738 W HN 0.068 nan 8.180 nan 0.000 0.515 739 F N 1.690 121.804 119.950 0.273 0.000 2.069 739 F HA -0.256 4.271 4.527 -0.001 0.000 0.298 739 F C 2.556 178.406 175.800 0.083 0.000 1.113 739 F CA 2.222 60.308 58.000 0.144 0.000 1.214 739 F CB -0.713 38.316 39.000 0.047 0.000 0.978 739 F HN -0.275 nan 8.300 nan 0.000 0.474 740 R N 0.496 120.945 120.500 -0.085 0.000 2.097 740 R HA -0.164 4.175 4.340 -0.001 0.000 0.236 740 R C 2.431 178.747 176.300 0.027 0.000 1.135 740 R CA 1.924 58.014 56.100 -0.017 0.000 0.934 740 R CB -1.264 29.129 30.300 0.156 0.000 0.846 740 R HN 0.412 nan 8.270 nan 0.000 0.431 741 A N -1.437 121.422 122.820 0.066 0.000 2.125 741 A HA 0.097 4.417 4.320 -0.001 0.000 0.219 741 A C 1.685 179.300 177.584 0.052 0.000 1.156 741 A CA 1.548 53.627 52.037 0.070 0.000 0.671 741 A CB -0.477 18.582 19.000 0.098 0.000 0.794 741 A HN 0.556 nan 8.150 nan 0.000 0.459 742 G N -1.987 106.824 108.800 0.019 0.000 2.254 742 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.225 742 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.225 742 G C 0.375 175.336 174.900 0.102 0.000 1.003 742 G CA 0.625 45.742 45.100 0.029 0.000 0.622 742 G HN 2.189 nan 8.290 nan 0.000 0.507 743 S N -1.840 113.933 115.700 0.120 0.000 2.611 743 S HA 0.779 5.248 4.470 -0.001 0.000 0.270 743 S C 0.881 175.500 174.600 0.031 0.000 1.131 743 S CA 0.639 58.905 58.200 0.109 0.000 0.826 743 S CB 0.888 64.187 63.200 0.165 0.000 1.095 743 S HN 1.802 nan 8.310 nan 0.000 0.461 744 A N 0.395 123.104 122.820 -0.184 0.000 2.015 744 A HA 0.104 4.423 4.320 -0.001 0.000 0.219 744 A C 1.937 179.372 177.584 -0.248 0.000 1.163 744 A CA 1.690 53.417 52.037 -0.516 0.000 0.646 744 A CB -0.840 17.384 19.000 -1.294 0.000 0.806 744 A HN 1.133 nan 8.150 nan 0.000 0.448 745 L N 0.139 121.259 121.223 -0.171 0.000 2.072 745 L HA -0.056 4.284 4.340 -0.001 0.000 0.205 745 L C 1.727 178.562 176.870 -0.059 0.000 1.079 745 L CA 2.112 56.886 54.840 -0.111 0.000 0.752 745 L CB -0.805 41.188 42.059 -0.110 0.000 0.906 745 L HN 0.301 nan 8.230 nan 0.000 0.436 746 N N -0.079 118.607 118.700 -0.023 0.000 2.120 746 N HA -0.205 4.534 4.740 -0.001 0.000 0.188 746 N C 1.921 177.443 175.510 0.020 0.000 1.024 746 N CA 1.401 54.452 53.050 0.001 0.000 0.852 746 N CB -0.332 38.174 38.487 0.032 0.000 1.003 746 N HN 0.282 nan 8.380 nan 0.000 0.424 747 R N 0.998 121.529 120.500 0.050 0.000 2.083 747 R HA -0.024 4.316 4.340 -0.001 0.000 0.237 747 R C 2.114 178.451 176.300 0.061 0.000 1.137 747 R CA 1.400 57.554 56.100 0.090 0.000 0.951 747 R CB -0.597 29.824 30.300 0.202 0.000 0.851 747 R HN 0.254 nan 8.270 nan 0.000 0.434 748 M N 0.230 119.847 119.600 0.029 0.000 2.144 748 M HA -0.243 4.237 4.480 -0.001 0.000 0.260 748 M C 1.386 177.686 176.300 0.001 0.000 1.067 748 M CA 1.982 57.290 55.300 0.014 0.000 1.095 748 M CB -0.050 32.535 32.600 -0.025 0.000 1.365 748 M HN 0.192 nan 8.290 nan 0.000 0.406 749 K N -0.382 120.011 120.400 -0.011 0.000 2.186 749 K HA -0.071 4.249 4.320 -0.001 0.000 0.202 749 K C 1.687 178.285 176.600 -0.004 0.000 1.052 749 K CA 1.080 57.355 56.287 -0.020 0.000 0.965 749 K CB -0.104 32.375 32.500 -0.035 0.000 0.746 749 K HN 0.507 nan 8.250 nan 0.000 0.457 750 E N 1.161 121.367 120.200 0.011 0.000 2.160 750 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 750 E C 1.509 178.120 176.600 0.019 0.000 0.991 750 E CA 0.778 57.189 56.400 0.017 0.000 0.810 750 E CB -0.104 29.614 29.700 0.031 0.000 0.742 750 E HN 0.270 nan 8.360 nan 0.000 0.466 751 L N 1.207 122.444 121.223 0.024 0.000 2.675 751 L HA -0.109 4.231 4.340 -0.001 0.000 0.238 751 L C 1.860 178.739 176.870 0.014 0.000 1.155 751 L CA 0.152 55.006 54.840 0.024 0.000 0.881 751 L CB -0.326 41.754 42.059 0.034 0.000 1.008 751 L HN 0.161 nan 8.230 nan 0.000 0.443 752 Q N -0.505 119.298 119.800 0.006 0.000 2.596 752 Q HA 0.106 4.446 4.340 -0.001 0.000 0.190 752 Q C 1.220 177.220 176.000 0.000 0.000 0.905 752 Q CA 0.291 56.095 55.803 0.001 0.000 0.846 752 Q CB 0.017 28.750 28.738 -0.009 0.000 1.117 752 Q HN 0.365 nan 8.270 nan 0.000 0.630 753 Q N 0.596 120.394 119.800 -0.004 0.000 2.189 753 Q HA 0.277 4.617 4.340 -0.001 0.000 0.223 753 Q C -0.000 175.998 176.000 -0.003 0.000 0.828 753 Q CA -0.094 55.706 55.803 -0.004 0.000 0.967 753 Q CB 1.887 30.620 28.738 -0.009 0.000 1.139 753 Q HN 0.337 nan 8.270 nan 0.000 0.497 754 K N 0.000 120.399 120.400 -0.002 0.000 2.780 754 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 754 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 754 K CB 0.000 32.501 32.500 0.002 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543