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 2zuu_1_A DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSXXXXXXEA VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREAL DATA SEQUENCE EH 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.584 174.600 -0.027 0.000 1.055 3 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 3 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 4 T N 2.989 117.533 114.554 -0.016 0.000 2.933 4 T HA 0.848 5.199 4.350 0.002 0.000 0.305 4 T C 0.022 174.726 174.700 0.006 0.000 1.092 4 T CA 0.897 62.988 62.100 -0.015 0.000 1.008 4 T CB 1.209 70.067 68.868 -0.018 0.000 1.102 4 T HN 2.148 nan 8.240 nan 0.000 0.469 5 G N 2.333 111.146 108.800 0.021 0.000 2.498 5 G HA2 0.070 4.031 3.960 0.002 0.000 0.651 5 G HA3 0.070 4.031 3.960 0.002 0.000 0.651 5 G C -0.445 174.506 174.900 0.085 0.000 1.284 5 G CA -0.078 45.049 45.100 0.044 0.000 0.950 5 G HN 1.036 nan 8.290 nan 0.000 0.511 6 R N -2.170 118.367 120.500 0.063 0.000 3.641 6 R HA -0.213 4.128 4.340 0.002 0.000 0.286 6 R C -0.218 176.085 176.300 0.005 0.000 1.153 6 R CA 1.514 57.648 56.100 0.058 0.000 0.775 6 R CB -1.779 28.623 30.300 0.169 0.000 1.215 6 R HN 1.336 nan 8.270 nan 0.000 0.474 7 F N -0.368 119.505 119.950 -0.129 0.000 2.607 7 F HA 0.287 4.815 4.527 0.002 0.000 0.322 7 F C -0.432 175.306 175.800 -0.104 0.000 1.176 7 F CA -0.448 57.455 58.000 -0.162 0.000 0.977 7 F CB 1.822 40.749 39.000 -0.121 0.000 1.242 7 F HN -0.162 nan 8.300 nan 0.000 0.465 8 T N 6.921 121.221 114.554 -0.424 0.000 2.767 8 T HA 0.420 4.771 4.350 0.002 0.000 0.284 8 T C -0.749 173.807 174.700 -0.240 0.000 0.973 8 T CA -0.441 61.455 62.100 -0.340 0.000 0.996 8 T CB 1.199 69.792 68.868 -0.458 0.000 0.927 8 T HN 0.509 nan 8.240 nan 0.000 0.456 9 L N 6.513 127.750 121.223 0.025 0.000 2.296 9 L HA 0.473 4.814 4.340 0.002 0.000 0.286 9 L C -2.174 174.781 176.870 0.141 0.000 1.023 9 L CA -2.499 52.497 54.840 0.261 0.000 0.812 9 L CB 2.084 44.355 42.059 0.354 0.000 1.223 9 L HN 0.368 nan 8.230 nan 0.000 0.421 10 P HA 0.209 nan 4.420 nan 0.000 0.277 10 P C -1.148 176.260 177.300 0.180 0.000 1.240 10 P CA -0.276 62.893 63.100 0.116 0.000 0.798 10 P CB 2.025 33.758 31.700 0.054 0.000 0.979 11 S N -0.355 115.426 115.700 0.134 0.000 2.638 11 S HA 0.559 5.030 4.470 0.002 0.000 0.274 11 S C -1.455 173.232 174.600 0.145 0.000 1.157 11 S CA -0.614 57.691 58.200 0.175 0.000 0.826 11 S CB 1.385 64.679 63.200 0.157 0.000 1.139 11 S HN 0.621 nan 8.310 nan 0.000 0.474 12 E N 0.581 120.890 120.200 0.182 0.000 2.456 12 E HA 0.474 4.825 4.350 0.002 0.000 0.276 12 E C -1.168 175.526 176.600 0.157 0.000 0.981 12 E CA -0.998 55.489 56.400 0.144 0.000 0.814 12 E CB 1.121 30.894 29.700 0.122 0.000 1.382 12 E HN 0.557 nan 8.360 nan 0.000 0.459 13 E N 0.349 120.620 120.200 0.118 0.000 2.404 13 E HA 0.034 4.385 4.350 0.002 0.000 0.261 13 E C -0.555 176.119 176.600 0.123 0.000 1.074 13 E CA -0.004 56.460 56.400 0.106 0.000 0.917 13 E CB 0.244 29.990 29.700 0.077 0.000 0.965 13 E HN 0.507 nan 8.360 nan 0.000 0.433 14 N N 2.196 120.970 118.700 0.123 0.000 2.738 14 N HA -0.246 4.496 4.740 0.002 0.000 0.249 14 N C -0.823 174.852 175.510 0.276 0.000 1.047 14 N CA 0.882 54.016 53.050 0.139 0.000 0.707 14 N CB -1.043 37.501 38.487 0.094 0.000 0.937 14 N HN 0.407 nan 8.380 nan 0.000 0.545 15 F N -1.223 118.734 119.950 0.012 0.000 2.769 15 F HA 0.459 4.987 4.527 0.002 0.000 0.341 15 F C 1.375 177.173 175.800 -0.003 0.000 1.279 15 F CA -0.002 58.002 58.000 0.005 0.000 1.037 15 F CB -0.131 38.881 39.000 0.021 0.000 1.333 15 F HN 0.113 nan 8.300 nan 0.000 0.505 16 A N -0.243 122.587 122.820 0.016 0.000 1.940 16 A HA -0.143 4.178 4.320 0.002 0.000 0.219 16 A C 2.216 179.713 177.584 -0.144 0.000 1.176 16 A CA 2.019 54.030 52.037 -0.043 0.000 0.631 16 A CB -0.222 18.769 19.000 -0.016 0.000 0.814 16 A HN 0.327 nan 8.150 nan 0.000 0.446 17 E N -0.082 119.999 120.200 -0.198 0.000 2.028 17 E HA -0.130 4.221 4.350 0.002 0.000 0.191 17 E C 1.990 178.384 176.600 -0.344 0.000 0.988 17 E CA 0.891 57.153 56.400 -0.229 0.000 0.799 17 E CB -0.303 29.288 29.700 -0.182 0.000 0.755 17 E HN 0.371 nan 8.360 nan 0.000 0.447 18 K N 0.436 120.470 120.400 -0.610 0.000 2.097 18 K HA -0.061 4.260 4.320 0.002 0.000 0.206 18 K C 2.206 178.500 176.600 -0.511 0.000 1.049 18 K CA 0.995 56.852 56.287 -0.717 0.000 0.933 18 K CB -0.634 31.030 32.500 -1.392 0.000 0.717 18 K HN 0.116 nan 8.250 nan 0.000 0.442 19 T N 1.286 115.584 114.554 -0.425 0.000 2.635 19 T HA -0.186 4.165 4.350 0.002 0.000 0.267 19 T C 1.934 176.533 174.700 -0.168 0.000 1.040 19 T CA 1.701 63.698 62.100 -0.172 0.000 1.156 19 T CB -0.090 68.755 68.868 -0.039 0.000 0.863 19 T HN 0.305 nan 8.240 nan 0.000 0.430 20 K N 0.730 121.030 120.400 -0.167 0.000 2.009 20 K HA -0.190 4.131 4.320 0.002 0.000 0.210 20 K C 2.448 178.945 176.600 -0.172 0.000 1.049 20 K CA 1.771 57.975 56.287 -0.138 0.000 0.929 20 K CB -0.154 32.273 32.500 -0.121 0.000 0.714 20 K HN 0.438 nan 8.250 nan 0.000 0.440 21 E N 0.505 120.574 120.200 -0.219 0.000 2.051 21 E HA -0.204 4.147 4.350 0.002 0.000 0.192 21 E C 2.107 178.517 176.600 -0.316 0.000 0.991 21 E CA 1.232 57.490 56.400 -0.236 0.000 0.799 21 E CB -0.049 29.506 29.700 -0.241 0.000 0.748 21 E HN 0.330 nan 8.360 nan 0.000 0.449 22 L N 0.367 121.340 121.223 -0.416 0.000 2.109 22 L HA -0.076 4.266 4.340 0.002 0.000 0.207 22 L C 2.715 179.245 176.870 -0.566 0.000 1.086 22 L CA 0.816 55.228 54.840 -0.713 0.000 0.760 22 L CB -0.432 41.084 42.059 -0.904 0.000 0.910 22 L HN 0.186 nan 8.230 nan 0.000 0.437 23 A N -0.398 122.259 122.820 -0.271 0.000 1.908 23 A HA -0.231 4.090 4.320 0.002 0.000 0.218 23 A C 2.336 179.847 177.584 -0.121 0.000 1.181 23 A CA 1.672 53.646 52.037 -0.105 0.000 0.627 23 A CB -0.390 18.581 19.000 -0.048 0.000 0.818 23 A HN 0.348 nan 8.150 nan 0.000 0.445 24 E N -0.551 119.554 120.200 -0.158 0.000 2.046 24 E HA -0.135 4.216 4.350 0.002 0.000 0.190 24 E C 1.994 178.503 176.600 -0.153 0.000 0.982 24 E CA 1.048 57.368 56.400 -0.133 0.000 0.800 24 E CB -0.275 29.349 29.700 -0.127 0.000 0.756 24 E HN 0.459 nan 8.360 nan 0.000 0.449 25 L N -0.095 120.982 121.223 -0.244 0.000 2.042 25 L HA -0.168 4.173 4.340 0.002 0.000 0.210 25 L C 1.877 178.691 176.870 -0.093 0.000 1.076 25 L CA 1.404 56.104 54.840 -0.233 0.000 0.749 25 L CB -0.315 41.496 42.059 -0.414 0.000 0.893 25 L HN 0.247 nan 8.230 nan 0.000 0.432 26 W N -0.516 120.608 121.300 -0.292 0.000 3.211 26 W HA 0.423 5.084 4.660 0.001 0.000 0.292 26 W C 1.563 177.726 176.519 -0.593 0.000 1.268 26 W CA 0.329 57.348 57.345 -0.543 0.000 1.702 26 W CB -1.098 27.856 29.460 -0.843 0.000 1.092 26 W HN 0.320 nan 8.180 nan 0.000 0.643 27 G N 1.107 109.824 108.800 -0.139 0.000 2.221 27 G HA2 -0.086 3.875 3.960 0.002 0.000 0.265 27 G HA3 -0.086 3.875 3.960 0.002 0.000 0.265 27 G C 0.496 175.355 174.900 -0.069 0.000 1.041 27 G CA 0.000 45.035 45.100 -0.109 0.000 0.807 27 G HN 0.437 nan 8.290 nan 0.000 0.502 28 A N 0.194 123.000 122.820 -0.022 0.000 2.488 28 A HA 0.524 4.845 4.320 0.002 0.000 0.249 28 A C 1.246 178.895 177.584 0.107 0.000 1.083 28 A CA 0.796 52.946 52.037 0.187 0.000 0.768 28 A CB 0.341 19.532 19.000 0.319 0.000 1.017 28 A HN 0.781 nan 8.150 nan 0.000 0.496 29 D N 0.565 121.032 120.400 0.112 0.000 2.433 29 D HA 0.419 5.060 4.640 0.002 0.000 0.211 29 D C 0.221 176.544 176.300 0.039 0.000 1.114 29 D CA 0.732 54.766 54.000 0.057 0.000 0.837 29 D CB 0.174 40.999 40.800 0.042 0.000 0.984 29 D HN 0.621 nan 8.370 nan 0.000 0.505 30 A N 0.111 122.938 122.820 0.011 0.000 2.498 30 A HA 0.739 5.060 4.320 0.002 0.000 0.298 30 A C -1.360 176.144 177.584 -0.134 0.000 1.075 30 A CA -0.788 51.190 52.037 -0.099 0.000 0.714 30 A CB 1.487 20.309 19.000 -0.297 0.000 1.299 30 A HN 0.122 nan 8.150 nan 0.000 0.407 31 I N 0.931 121.418 120.570 -0.138 0.000 2.499 31 I HA 0.410 4.581 4.170 0.002 0.000 0.288 31 I C -0.065 176.013 176.117 -0.064 0.000 1.048 31 I CA -0.388 60.874 61.300 -0.063 0.000 1.062 31 I CB 2.183 40.198 38.000 0.025 0.000 1.238 31 I HN 0.642 nan 8.210 nan 0.000 0.426 32 R N 4.001 124.470 120.500 -0.052 0.000 2.229 32 R HA 0.299 4.640 4.340 0.002 0.000 0.328 32 R C -0.157 176.184 176.300 0.068 0.000 1.009 32 R CA -0.532 55.581 56.100 0.023 0.000 0.864 32 R CB 1.061 31.356 30.300 -0.008 0.000 1.085 32 R HN 0.575 nan 8.270 nan 0.000 0.453 33 N N 0.567 119.328 118.700 0.102 0.000 2.344 33 N HA 0.005 4.746 4.740 0.002 0.000 0.236 33 N C -0.641 174.922 175.510 0.089 0.000 1.279 33 N CA 0.844 53.956 53.050 0.104 0.000 0.882 33 N CB 0.601 39.166 38.487 0.130 0.000 1.110 33 N HN 0.359 nan 8.380 nan 0.000 0.436 42 A N 2.200 125.028 122.820 0.014 0.000 3.330 42 A HA -0.348 3.973 4.320 0.002 0.000 0.239 42 A C 1.697 179.284 177.584 0.004 0.000 0.493 42 A CA 2.370 54.410 52.037 0.006 0.000 1.116 42 A CB -2.180 16.823 19.000 0.005 0.000 1.342 42 A HN 0.880 nan 8.150 nan 0.000 0.670 43 V N 0.431 120.353 119.914 0.015 0.000 2.490 43 V HA -0.209 3.912 4.120 0.002 0.000 0.250 43 V C 2.364 178.468 176.094 0.017 0.000 1.061 43 V CA 2.094 64.404 62.300 0.017 0.000 1.064 43 V CB -0.666 31.180 31.823 0.039 0.000 0.670 43 V HN 0.638 nan 8.190 nan 0.000 0.461 44 L N 0.246 121.480 121.223 0.018 0.000 2.456 44 L HA -0.040 4.301 4.340 0.002 0.000 0.224 44 L C 2.476 179.351 176.870 0.008 0.000 1.148 44 L CA 0.997 55.847 54.840 0.016 0.000 0.825 44 L CB -0.693 41.373 42.059 0.012 0.000 0.937 44 L HN 0.343 nan 8.230 nan 0.000 0.450 45 A N 0.001 122.822 122.820 0.003 0.000 2.119 45 A HA 0.037 4.358 4.320 0.002 0.000 0.216 45 A C 2.122 179.704 177.584 -0.004 0.000 1.152 45 A CA 0.593 52.629 52.037 -0.003 0.000 0.708 45 A CB -0.330 18.665 19.000 -0.007 0.000 0.805 45 A HN 0.384 nan 8.150 nan 0.000 0.460 46 L N -1.188 120.034 121.223 -0.003 0.000 2.376 46 L HA 0.113 4.454 4.340 0.002 0.000 0.219 46 L C 1.763 178.633 176.870 -0.001 0.000 1.133 46 L CA 0.778 55.614 54.840 -0.006 0.000 0.816 46 L CB -0.264 41.790 42.059 -0.008 0.000 0.933 46 L HN 0.537 nan 8.230 nan 0.000 0.449 47 G N -0.468 108.335 108.800 0.006 0.000 2.136 47 G HA2 -0.220 3.741 3.960 0.002 0.000 0.242 47 G HA3 -0.220 3.741 3.960 0.002 0.000 0.242 47 G C 0.205 175.116 174.900 0.018 0.000 0.989 47 G CA -0.212 44.894 45.100 0.010 0.000 0.682 47 G HN 0.145 nan 8.290 nan 0.000 0.522 48 K N 0.433 120.848 120.400 0.024 0.000 2.126 48 K HA 0.368 4.690 4.320 0.002 0.000 0.257 48 K C 0.876 177.509 176.600 0.056 0.000 1.007 48 K CA -0.476 55.832 56.287 0.035 0.000 0.928 48 K CB 0.721 33.240 32.500 0.032 0.000 1.013 48 K HN 0.280 nan 8.250 nan 0.000 0.473 49 K N 1.401 121.848 120.400 0.079 0.000 2.448 49 K HA 0.102 4.423 4.320 0.002 0.000 0.278 49 K C -0.005 176.698 176.600 0.170 0.000 1.009 49 K CA -0.027 56.344 56.287 0.140 0.000 0.995 49 K CB 0.366 32.993 32.500 0.212 0.000 0.917 49 K HN 0.312 nan 8.250 nan 0.000 0.481 50 I N 4.518 125.207 120.570 0.199 0.000 2.355 50 I HA 0.153 4.325 4.170 0.002 0.000 0.288 50 I C -0.469 175.853 176.117 0.341 0.000 0.999 50 I CA -0.741 60.684 61.300 0.208 0.000 1.163 50 I CB 0.348 38.417 38.000 0.115 0.000 1.316 50 I HN 0.371 nan 8.210 nan 0.000 0.454 51 Y N 4.684 125.023 120.300 0.065 0.000 2.308 51 Y HA 0.396 4.947 4.550 0.002 0.000 0.329 51 Y C 0.734 176.674 175.900 0.067 0.000 1.111 51 Y CA -0.868 57.269 58.100 0.062 0.000 1.179 51 Y CB 0.851 39.338 38.460 0.045 0.000 1.201 51 Y HN 0.451 nan 8.280 nan 0.000 0.483 52 N N 1.221 120.047 118.700 0.210 0.000 2.352 52 N HA 0.533 5.274 4.740 0.002 0.000 0.291 52 N C -1.075 174.442 175.510 0.012 0.000 1.040 52 N CA -0.492 52.671 53.050 0.188 0.000 0.864 52 N CB 2.245 40.955 38.487 0.371 0.000 1.440 52 N HN 0.740 nan 8.380 nan 0.000 0.483 53 A N 2.485 125.250 122.820 -0.091 0.000 2.462 53 A HA 0.283 4.605 4.320 0.002 0.000 0.243 53 A C -1.039 176.127 177.584 -0.697 0.000 1.076 53 A CA 0.329 52.117 52.037 -0.416 0.000 0.773 53 A CB 0.053 18.809 19.000 -0.407 0.000 1.010 53 A HN 0.659 nan 8.150 nan 0.000 0.493 54 Y N 0.938 120.569 120.300 -1.116 0.000 2.442 54 Y HA 0.597 5.148 4.550 0.002 0.000 0.344 54 Y C -1.435 173.863 175.900 -1.003 0.000 0.976 54 Y CA -1.168 56.251 58.100 -1.136 0.000 1.040 54 Y CB 1.837 39.612 38.460 -1.143 0.000 1.228 54 Y HN 0.549 nan 8.280 nan 0.000 0.451 55 F N 7.050 126.560 119.950 -0.732 0.000 2.564 55 F HA 0.415 4.943 4.527 0.002 0.000 0.368 55 F C -2.074 173.466 175.800 -0.433 0.000 1.127 55 F CA -2.310 55.432 58.000 -0.430 0.000 1.170 55 F CB 1.115 39.920 39.000 -0.325 0.000 1.397 55 F HN 0.382 nan 8.300 nan 0.000 0.493 56 P HA -0.146 nan 4.420 nan 0.000 0.216 56 P C 1.312 178.648 177.300 0.060 0.000 1.150 56 P CA 1.651 64.801 63.100 0.084 0.000 0.843 56 P CB 0.118 31.905 31.700 0.144 0.000 0.787 57 T N -3.873 110.573 114.554 -0.181 0.000 3.214 57 T HA 0.352 4.703 4.350 0.002 0.000 0.264 57 T C 0.409 174.354 174.700 -1.258 0.000 1.012 57 T CA -0.581 61.119 62.100 -0.667 0.000 0.901 57 T CB -0.348 68.325 68.868 -0.326 0.000 1.070 57 T HN 0.217 nan 8.240 nan 0.000 0.561 58 R N -1.435 118.620 120.500 -0.741 0.000 2.902 58 R HA 0.701 5.042 4.340 0.002 0.000 0.264 58 R C -0.447 175.886 176.300 0.056 0.000 1.059 58 R CA -0.705 55.176 56.100 -0.364 0.000 0.935 58 R CB -0.036 30.131 30.300 -0.223 0.000 1.325 58 R HN 0.454 nan 8.270 nan 0.000 0.438 59 A N -0.131 122.715 122.820 0.042 0.000 2.996 59 A HA -0.135 4.186 4.320 0.002 0.000 0.257 59 A C -0.568 176.896 177.584 -0.200 0.000 1.394 59 A CA 1.222 53.210 52.037 -0.082 0.000 0.820 59 A CB -2.413 16.486 19.000 -0.170 0.000 1.054 59 A HN 0.709 nan 8.150 nan 0.000 0.619 60 H N -1.016 118.301 119.070 0.412 0.000 2.806 60 H HA 0.161 4.718 4.556 0.002 0.000 0.218 60 H C 0.778 176.275 175.328 0.282 0.000 1.392 60 H CA -0.231 56.051 56.048 0.390 0.000 1.358 60 H CB -0.097 29.979 29.762 0.523 0.000 1.944 60 H HN 0.402 nan 8.280 nan 0.000 0.530 61 N N 0.989 119.852 118.700 0.272 0.000 2.289 61 N HA -0.147 4.594 4.740 0.002 0.000 0.184 61 N C 2.074 177.640 175.510 0.094 0.000 1.016 61 N CA 0.868 54.015 53.050 0.162 0.000 0.872 61 N CB 0.308 38.846 38.487 0.086 0.000 0.973 61 N HN 0.628 nan 8.380 nan 0.000 0.433 62 E N 0.101 120.384 120.200 0.138 0.000 2.204 62 E HA -0.204 4.147 4.350 0.002 0.000 0.195 62 E C 1.720 178.347 176.600 0.045 0.000 0.990 62 E CA 0.745 57.202 56.400 0.095 0.000 0.821 62 E CB -0.703 29.088 29.700 0.153 0.000 0.750 62 E HN 0.620 nan 8.360 nan 0.000 0.477 63 W N 1.106 122.273 121.300 -0.220 0.000 2.539 63 W HA 0.007 4.668 4.660 0.002 0.000 0.299 63 W C 1.912 178.270 176.519 -0.269 0.000 1.165 63 W CA 0.606 57.678 57.345 -0.455 0.000 1.400 63 W CB -0.327 28.265 29.460 -1.447 0.000 1.123 63 W HN 0.078 nan 8.180 nan 0.000 0.533 64 I N 2.568 122.971 120.570 -0.278 0.000 2.394 64 I HA -0.219 3.952 4.170 0.002 0.000 0.251 64 I C 2.591 178.561 176.117 -0.245 0.000 1.136 64 I CA 2.519 63.671 61.300 -0.246 0.000 1.425 64 I CB -0.731 37.364 38.000 0.159 0.000 1.079 64 I HN 0.063 nan 8.210 nan 0.000 0.425 65 T N -1.586 112.850 114.554 -0.198 0.000 2.929 65 T HA -0.126 4.225 4.350 0.002 0.000 0.271 65 T C 1.698 176.207 174.700 -0.318 0.000 1.085 65 T CA 1.309 63.286 62.100 -0.204 0.000 1.125 65 T CB -0.735 68.048 68.868 -0.142 0.000 0.874 65 T HN 0.407 nan 8.240 nan 0.000 0.494 66 L N 0.076 121.010 121.223 -0.482 0.000 2.591 66 L HA 0.249 4.590 4.340 0.002 0.000 0.228 66 L C 0.857 177.039 176.870 -1.147 0.000 1.133 66 L CA 0.340 54.731 54.840 -0.748 0.000 0.880 66 L CB -0.185 41.375 42.059 -0.832 0.000 1.033 66 L HN 0.409 nan 8.230 nan 0.000 0.450 67 H N -0.747 117.992 119.070 -0.553 0.000 2.947 67 H HA 0.214 4.771 4.556 0.002 0.000 0.222 67 H C 0.915 176.036 175.328 -0.345 0.000 1.414 67 H CA -0.262 55.478 56.048 -0.513 0.000 1.224 67 H CB 0.739 30.017 29.762 -0.806 0.000 2.100 67 H HN 0.095 nan 8.280 nan 0.000 0.524 68 M N 0.762 120.210 119.600 -0.253 0.000 2.549 68 M HA -0.073 4.408 4.480 0.002 0.000 0.260 68 M C 1.182 177.238 176.300 -0.407 0.000 1.076 68 M CA 0.941 56.073 55.300 -0.280 0.000 1.090 68 M CB -0.490 31.924 32.600 -0.310 0.000 1.418 68 M HN 0.356 nan 8.290 nan 0.000 0.486 69 D N -0.444 119.773 120.400 -0.305 0.000 2.328 69 D HA -0.067 4.574 4.640 0.002 0.000 0.226 69 D C 0.550 176.816 176.300 -0.056 0.000 1.066 69 D CA 0.334 54.204 54.000 -0.216 0.000 0.861 69 D CB -0.300 40.458 40.800 -0.070 0.000 0.912 69 D HN 0.413 nan 8.370 nan 0.000 0.521 70 E N 0.532 120.707 120.200 -0.043 0.000 2.548 70 E HA 0.047 4.398 4.350 0.002 0.000 0.206 70 E C 0.204 177.004 176.600 0.334 0.000 1.005 70 E CA -0.146 56.331 56.400 0.128 0.000 0.951 70 E CB 0.706 30.489 29.700 0.140 0.000 1.035 70 E HN 0.303 nan 8.360 nan 0.000 0.470 71 T N 0.442 115.139 114.554 0.238 0.000 2.898 71 T HA 0.200 4.552 4.350 0.002 0.000 0.301 71 T C -2.159 172.745 174.700 0.339 0.000 1.049 71 T CA -1.663 60.604 62.100 0.279 0.000 1.095 71 T CB 1.000 69.981 68.868 0.188 0.000 0.976 71 T HN -0.173 nan 8.240 nan 0.000 0.539 72 P HA 0.193 nan 4.420 nan 0.000 0.272 72 P C -0.724 176.684 177.300 0.180 0.000 1.230 72 P CA -0.331 62.912 63.100 0.238 0.000 0.788 72 P CB 0.599 32.414 31.700 0.191 0.000 0.949 73 Q N -0.541 119.312 119.800 0.088 0.000 2.587 73 Q HA 0.762 5.103 4.340 0.002 0.000 0.293 73 Q C -1.291 174.614 176.000 -0.159 0.000 1.083 73 Q CA -1.161 54.597 55.803 -0.074 0.000 0.792 73 Q CB 2.610 31.223 28.738 -0.208 0.000 1.484 73 Q HN 0.270 nan 8.270 nan 0.000 0.446 74 V N 0.333 120.072 119.914 -0.292 0.000 2.969 74 V HA 0.398 4.519 4.120 0.002 0.000 0.304 74 V C -2.004 173.813 176.094 -0.461 0.000 1.192 74 V CA -0.536 61.585 62.300 -0.298 0.000 0.962 74 V CB 1.651 33.374 31.823 -0.165 0.000 1.045 74 V HN 0.750 nan 8.190 nan 0.000 0.428 75 Y N 5.877 125.948 120.300 -0.382 0.000 2.377 75 Y HA 0.540 5.092 4.550 0.002 0.000 0.330 75 Y C 0.442 176.121 175.900 -0.369 0.000 1.108 75 Y CA 0.193 58.044 58.100 -0.416 0.000 1.308 75 Y CB 1.055 39.323 38.460 -0.320 0.000 1.216 75 Y HN 0.494 nan 8.280 nan 0.000 0.518 76 L N 4.838 125.736 121.223 -0.543 0.000 2.354 76 L HA 0.502 4.843 4.340 0.002 0.000 0.269 76 L C -1.186 175.479 176.870 -0.341 0.000 1.005 76 L CA -1.232 53.276 54.840 -0.553 0.000 0.819 76 L CB 1.881 43.102 42.059 -1.396 0.000 1.311 76 L HN 0.421 nan 8.230 nan 0.000 0.423 77 L N 1.857 123.173 121.223 0.154 0.000 2.313 77 L HA 0.505 4.846 4.340 0.002 0.000 0.283 77 L C 0.444 177.554 176.870 0.401 0.000 1.013 77 L CA 0.054 54.996 54.840 0.171 0.000 0.816 77 L CB 1.792 43.855 42.059 0.008 0.000 1.236 77 L HN 0.762 nan 8.230 nan 0.000 0.419 78 T N 0.520 115.285 114.554 0.351 0.000 2.726 78 T HA 0.267 4.619 4.350 0.002 0.000 0.294 78 T C 0.203 174.990 174.700 0.145 0.000 1.013 78 T CA -0.727 61.569 62.100 0.325 0.000 0.996 78 T CB 0.325 69.328 68.868 0.225 0.000 1.016 78 T HN 0.558 nan 8.240 nan 0.000 0.529 79 D N 0.533 120.975 120.400 0.070 0.000 2.364 79 D HA 0.131 4.772 4.640 0.002 0.000 0.236 79 D C 0.443 176.772 176.300 0.049 0.000 1.221 79 D CA 0.118 54.137 54.000 0.031 0.000 0.891 79 D CB 0.343 41.147 40.800 0.007 0.000 1.190 79 D HN 0.454 nan 8.370 nan 0.000 0.449 80 R N 0.838 121.360 120.500 0.037 0.000 2.347 80 R HA 0.250 4.591 4.340 0.002 0.000 0.304 80 R C -0.254 176.084 176.300 0.063 0.000 1.072 80 R CA -0.257 55.870 56.100 0.045 0.000 0.980 80 R CB 0.556 30.871 30.300 0.025 0.000 0.986 80 R HN 0.264 nan 8.270 nan 0.000 0.448 81 I N 4.763 125.391 120.570 0.096 0.000 2.339 81 I HA 0.149 4.320 4.170 0.002 0.000 0.290 81 I C -0.196 176.011 176.117 0.151 0.000 0.994 81 I CA -1.124 60.239 61.300 0.106 0.000 1.191 81 I CB 1.198 39.254 38.000 0.093 0.000 1.343 81 I HN 0.436 nan 8.210 nan 0.000 0.458 82 L N 6.537 127.835 121.223 0.126 0.000 2.361 82 L HA 0.493 4.834 4.340 0.002 0.000 0.278 82 L C 0.480 177.413 176.870 0.106 0.000 1.113 82 L CA 0.142 55.071 54.840 0.148 0.000 0.849 82 L CB 0.695 42.849 42.059 0.157 0.000 1.155 82 L HN 0.727 nan 8.230 nan 0.000 0.452 83 A N 4.508 127.407 122.820 0.132 0.000 2.363 83 A HA 0.405 4.726 4.320 0.002 0.000 0.270 83 A C 0.550 177.930 177.584 -0.340 0.000 1.121 83 A CA -0.291 51.722 52.037 -0.040 0.000 0.800 83 A CB 0.117 19.136 19.000 0.030 0.000 1.052 83 A HN 0.901 nan 8.150 nan 0.000 0.493 84 E N 0.746 120.676 120.200 -0.450 0.000 2.583 84 E HA 0.158 4.509 4.350 0.002 0.000 0.213 84 E C 0.167 176.368 176.600 -0.665 0.000 0.989 84 E CA 0.516 56.394 56.400 -0.871 0.000 0.991 84 E CB 0.436 29.860 29.700 -0.460 0.000 1.040 84 E HN 0.799 nan 8.360 nan 0.000 0.481 85 S N -0.166 115.278 115.700 -0.427 0.000 2.815 85 S HA 0.062 4.533 4.470 0.002 0.000 0.296 85 S C -0.342 174.131 174.600 -0.212 0.000 1.224 85 S CA -0.537 57.502 58.200 -0.267 0.000 0.938 85 S CB 0.612 63.715 63.200 -0.162 0.000 1.285 85 S HN 0.006 nan 8.310 nan 0.000 0.549 86 D N 1.042 121.355 120.400 -0.144 0.000 2.336 86 D HA 0.162 4.803 4.640 0.002 0.000 0.229 86 D C 0.788 177.011 176.300 -0.127 0.000 1.061 86 D CA 0.749 54.675 54.000 -0.124 0.000 0.875 86 D CB -0.474 40.278 40.800 -0.081 0.000 0.904 86 D HN 0.768 nan 8.370 nan 0.000 0.525 87 T N -3.234 111.242 114.554 -0.131 0.000 2.906 87 T HA 0.649 5.000 4.350 0.002 0.000 0.295 87 T C -0.803 173.819 174.700 -0.130 0.000 1.075 87 T CA -0.942 61.089 62.100 -0.114 0.000 1.005 87 T CB 2.362 71.189 68.868 -0.069 0.000 1.136 87 T HN 0.024 nan 8.240 nan 0.000 0.498 88 V N 1.078 120.925 119.914 -0.111 0.000 3.023 88 V HA 0.488 4.609 4.120 0.002 0.000 0.294 88 V C -2.105 173.982 176.094 -0.012 0.000 1.324 88 V CA -0.746 61.504 62.300 -0.084 0.000 0.979 88 V CB 2.304 34.036 31.823 -0.151 0.000 1.093 88 V HN 1.127 nan 8.190 nan 0.000 0.434 89 D N 5.723 126.144 120.400 0.035 0.000 2.256 89 D HA 0.584 5.225 4.640 0.002 0.000 0.246 89 D C -0.606 175.705 176.300 0.018 0.000 1.042 89 D CA 0.015 54.056 54.000 0.070 0.000 0.841 89 D CB 2.509 43.401 40.800 0.154 0.000 1.223 89 D HN 0.527 nan 8.370 nan 0.000 0.470 90 I N 2.827 123.384 120.570 -0.023 0.000 2.420 90 I HA 0.191 4.362 4.170 0.002 0.000 0.282 90 I C -2.407 173.678 176.117 -0.053 0.000 1.019 90 I CA -2.111 59.174 61.300 -0.025 0.000 1.130 90 I CB 2.102 40.081 38.000 -0.034 0.000 1.262 90 I HN -0.085 nan 8.210 nan 0.000 0.454 91 P HA 0.143 nan 4.420 nan 0.000 0.271 91 P C 0.612 177.888 177.300 -0.040 0.000 1.226 91 P CA -0.072 63.011 63.100 -0.028 0.000 0.765 91 P CB 1.140 32.848 31.700 0.013 0.000 0.835 92 L N 2.290 123.429 121.223 -0.141 0.000 2.131 92 L HA -0.002 4.339 4.340 0.002 0.000 0.206 92 L C 1.921 178.826 176.870 0.058 0.000 1.087 92 L CA 1.324 55.980 54.840 -0.307 0.000 0.767 92 L CB -0.420 41.125 42.059 -0.857 0.000 0.917 92 L HN 0.341 nan 8.230 nan 0.000 0.441 93 M N -1.286 118.380 119.600 0.109 0.000 2.346 93 M HA 0.084 4.565 4.480 0.002 0.000 0.280 93 M C 1.375 177.833 176.300 0.264 0.000 1.075 93 M CA 0.445 55.920 55.300 0.291 0.000 0.989 93 M CB 0.301 33.008 32.600 0.177 0.000 1.447 93 M HN 0.160 nan 8.290 nan 0.000 0.511 94 E N 0.400 120.694 120.200 0.156 0.000 2.347 94 E HA -0.067 4.284 4.350 0.002 0.000 0.196 94 E C 1.514 178.134 176.600 0.034 0.000 1.008 94 E CA 1.176 57.630 56.400 0.089 0.000 0.852 94 E CB 0.307 30.038 29.700 0.053 0.000 0.783 94 E HN 0.416 nan 8.360 nan 0.000 0.505 95 S N -0.540 115.120 115.700 -0.067 0.000 2.540 95 S HA 0.160 4.631 4.470 0.002 0.000 0.218 95 S C 0.125 174.481 174.600 -0.407 0.000 0.977 95 S CA -0.503 57.528 58.200 -0.283 0.000 0.918 95 S CB 0.106 63.038 63.200 -0.448 0.000 0.806 95 S HN -0.058 nan 8.310 nan 0.000 0.496 96 F N 0.929 120.975 119.950 0.160 0.000 2.556 96 F HA 0.566 5.095 4.527 0.002 0.000 0.327 96 F C -0.182 175.793 175.800 0.292 0.000 1.059 96 F CA -1.952 56.171 58.000 0.204 0.000 0.953 96 F CB 0.720 39.841 39.000 0.203 0.000 1.227 96 F HN 0.022 nan 8.300 nan 0.000 0.478 97 F N 2.216 122.379 119.950 0.355 0.000 2.462 97 F HA 0.388 4.916 4.527 0.002 0.000 0.360 97 F C 0.985 176.936 175.800 0.252 0.000 1.134 97 F CA -1.323 56.840 58.000 0.272 0.000 1.148 97 F CB 0.425 39.594 39.000 0.281 0.000 1.147 97 F HN 0.562 nan 8.300 nan 0.000 0.550 98 A N 4.753 127.666 122.820 0.155 0.000 2.119 98 A HA -0.049 4.273 4.320 0.002 0.000 0.217 98 A C 1.868 179.350 177.584 -0.170 0.000 1.153 98 A CA 0.913 52.967 52.037 0.027 0.000 0.692 98 A CB -0.396 18.656 19.000 0.086 0.000 0.799 98 A HN 0.695 nan 8.150 nan 0.000 0.458 99 E N -0.701 119.150 120.200 -0.583 0.000 2.435 99 E HA -0.115 4.236 4.350 0.002 0.000 0.195 99 E C 1.751 178.217 176.600 -0.224 0.000 1.029 99 E CA 0.776 56.874 56.400 -0.504 0.000 0.865 99 E CB 0.079 29.334 29.700 -0.742 0.000 0.833 99 E HN 0.886 nan 8.360 nan 0.000 0.510 100 Q N -0.202 119.458 119.800 -0.234 0.000 2.431 100 Q HA 0.147 4.489 4.340 0.002 0.000 0.244 100 Q C 0.013 176.058 176.000 0.075 0.000 0.880 100 Q CA 0.178 56.015 55.803 0.056 0.000 0.954 100 Q CB 0.770 29.582 28.738 0.123 0.000 1.105 100 Q HN 0.082 nan 8.270 nan 0.000 0.558 101 L N 1.304 122.561 121.223 0.058 0.000 2.401 101 L HA 0.561 4.902 4.340 0.002 0.000 0.266 101 L C -0.984 175.935 176.870 0.082 0.000 0.991 101 L CA -0.722 54.153 54.840 0.058 0.000 0.818 101 L CB 2.287 44.352 42.059 0.011 0.000 1.321 101 L HN -0.147 nan 8.230 nan 0.000 0.413 102 K N 3.537 124.004 120.400 0.111 0.000 2.535 102 K HA 0.530 4.851 4.320 0.002 0.000 0.250 102 K C -2.781 173.932 176.600 0.190 0.000 0.948 102 K CA -1.631 54.749 56.287 0.154 0.000 0.796 102 K CB 2.551 35.157 32.500 0.178 0.000 1.216 102 K HN 0.108 nan 8.250 nan 0.000 0.432 103 P HA -0.028 nan 4.420 nan 0.000 0.266 103 P C -1.089 176.352 177.300 0.236 0.000 1.195 103 P CA -0.238 63.000 63.100 0.231 0.000 0.768 103 P CB 0.427 32.186 31.700 0.099 0.000 0.838 104 N N 2.972 121.762 118.700 0.150 0.000 2.402 104 N HA 0.054 4.795 4.740 0.002 0.000 0.252 104 N C 0.731 176.385 175.510 0.240 0.000 1.118 104 N CA 0.146 53.179 53.050 -0.029 0.000 0.945 104 N CB -0.023 38.152 38.487 -0.521 0.000 1.147 104 N HN 0.222 nan 8.380 nan 0.000 0.495 105 R N 1.927 122.563 120.500 0.227 0.000 2.210 105 R HA 0.064 4.406 4.340 0.002 0.000 0.203 105 R C 0.390 176.736 176.300 0.076 0.000 1.010 105 R CA 0.384 56.566 56.100 0.137 0.000 1.008 105 R CB 0.420 30.794 30.300 0.124 0.000 0.923 105 R HN 0.587 nan 8.270 nan 0.000 0.469 106 D N 1.215 121.689 120.400 0.123 0.000 2.178 106 D HA -0.066 4.575 4.640 0.002 0.000 0.202 106 D C 0.410 176.737 176.300 0.044 0.000 0.974 106 D CA 0.785 54.839 54.000 0.089 0.000 0.841 106 D CB 0.200 41.085 40.800 0.142 0.000 0.953 106 D HN 0.114 nan 8.370 nan 0.000 0.478 107 A N 1.323 124.148 122.820 0.008 0.000 2.260 107 A HA 0.161 4.482 4.320 0.002 0.000 0.314 107 A C -0.402 177.216 177.584 0.057 0.000 1.257 107 A CA -0.572 51.454 52.037 -0.018 0.000 0.871 107 A CB 0.901 19.746 19.000 -0.258 0.000 1.166 107 A HN -0.164 nan 8.150 nan 0.000 0.522 108 D N 4.089 124.586 120.400 0.162 0.000 2.899 108 D HA -0.008 4.633 4.640 0.002 0.000 0.254 108 D C -1.382 174.914 176.300 -0.007 0.000 1.320 108 D CA -0.767 53.283 54.000 0.083 0.000 0.929 108 D CB 0.568 41.435 40.800 0.112 0.000 1.148 108 D HN 0.211 nan 8.370 nan 0.000 0.571 109 P HA -0.177 nan 4.420 nan 0.000 0.217 109 P C 0.681 177.831 177.300 -0.249 0.000 1.151 109 P CA 1.403 63.939 63.100 -0.940 0.000 0.849 109 P CB 0.043 30.984 31.700 -1.265 0.000 0.787 110 H N -1.525 117.449 119.070 -0.160 0.000 2.491 110 H HA -0.023 4.534 4.556 0.002 0.000 0.290 110 H C 2.047 177.356 175.328 -0.031 0.000 1.050 110 H CA 1.214 57.181 56.048 -0.136 0.000 1.309 110 H CB -0.099 29.463 29.762 -0.333 0.000 1.392 110 H HN 0.113 nan 8.280 nan 0.000 0.554 111 K N -0.268 120.134 120.400 0.003 0.000 2.098 111 K HA -0.074 4.247 4.320 0.002 0.000 0.203 111 K C 0.659 177.119 176.600 -0.233 0.000 1.051 111 K CA 1.019 57.180 56.287 -0.210 0.000 0.957 111 K CB 0.245 32.462 32.500 -0.472 0.000 0.738 111 K HN 0.267 nan 8.250 nan 0.000 0.447 112 Y N -1.511 118.918 120.300 0.215 0.000 2.458 112 Y HA 0.146 4.697 4.550 0.002 0.000 0.254 112 Y C 0.163 176.467 175.900 0.673 0.000 1.120 112 Y CA -0.574 57.755 58.100 0.381 0.000 1.282 112 Y CB 0.443 39.099 38.460 0.327 0.000 1.109 112 Y HN 0.024 nan 8.280 nan 0.000 0.526 113 W N 0.716 122.241 121.300 0.375 0.000 2.594 113 W HA 0.624 5.286 4.660 0.002 0.000 0.365 113 W C -0.438 176.202 176.519 0.202 0.000 1.196 113 W CA -1.828 55.696 57.345 0.298 0.000 1.258 113 W CB 0.438 30.042 29.460 0.239 0.000 1.405 113 W HN -0.307 nan 8.180 nan 0.000 0.640 114 E N 0.320 120.680 120.200 0.267 0.000 2.304 114 E HA 0.400 4.751 4.350 0.002 0.000 0.277 114 E C -1.620 174.919 176.600 -0.101 0.000 0.898 114 E CA -0.669 55.797 56.400 0.110 0.000 0.764 114 E CB 2.930 32.664 29.700 0.056 0.000 1.216 114 E HN 0.013 nan 8.360 nan 0.000 0.419 115 V N 3.115 122.909 119.914 -0.202 0.000 2.427 115 V HA 0.405 4.526 4.120 0.002 0.000 0.286 115 V C -0.318 175.779 176.094 0.006 0.000 1.034 115 V CA -0.637 61.524 62.300 -0.232 0.000 0.893 115 V CB 1.576 33.084 31.823 -0.526 0.000 0.982 115 V HN 0.392 nan 8.190 nan 0.000 0.452 116 V N 3.334 123.278 119.914 0.050 0.000 2.531 116 V HA 0.340 4.461 4.120 0.002 0.000 0.301 116 V C -0.392 175.743 176.094 0.069 0.000 1.034 116 V CA -0.689 61.649 62.300 0.064 0.000 0.865 116 V CB 2.069 33.892 31.823 0.000 0.000 0.995 116 V HN 0.911 nan 8.190 nan 0.000 0.424 117 D N 4.536 124.961 120.400 0.041 0.000 2.348 117 D HA 0.111 4.753 4.640 0.002 0.000 0.259 117 D C 1.250 177.434 176.300 -0.193 0.000 1.296 117 D CA -0.132 53.712 54.000 -0.259 0.000 0.931 117 D CB 0.781 41.539 40.800 -0.070 0.000 1.067 117 D HN 0.297 nan 8.370 nan 0.000 0.503 118 R N 2.262 122.619 120.500 -0.238 0.000 2.189 118 R HA -0.032 4.309 4.340 0.002 0.000 0.218 118 R C 1.566 177.776 176.300 -0.150 0.000 1.074 118 R CA 0.611 56.624 56.100 -0.145 0.000 0.991 118 R CB -0.490 29.743 30.300 -0.112 0.000 0.883 118 R HN 0.433 nan 8.270 nan 0.000 0.457 119 T N 0.058 114.482 114.554 -0.217 0.000 2.904 119 T HA -0.074 4.277 4.350 0.002 0.000 0.267 119 T C 1.743 176.324 174.700 -0.198 0.000 1.059 119 T CA 1.825 63.772 62.100 -0.254 0.000 1.137 119 T CB 0.007 68.579 68.868 -0.493 0.000 0.879 119 T HN 0.470 nan 8.240 nan 0.000 0.467 120 T N -2.218 112.269 114.554 -0.112 0.000 2.971 120 T HA 0.461 4.812 4.350 0.002 0.000 0.252 120 T C 1.871 176.557 174.700 -0.024 0.000 1.022 120 T CA 0.782 62.860 62.100 -0.037 0.000 0.980 120 T CB 0.242 69.140 68.868 0.050 0.000 1.044 120 T HN 0.438 nan 8.240 nan 0.000 0.501 121 G N 1.462 110.241 108.800 -0.036 0.000 2.176 121 G HA2 -0.208 3.753 3.960 0.002 0.000 0.253 121 G HA3 -0.208 3.753 3.960 0.002 0.000 0.253 121 G C -0.148 174.753 174.900 0.001 0.000 0.979 121 G CA 0.014 45.099 45.100 -0.025 0.000 0.641 121 G HN 0.588 nan 8.290 nan 0.000 0.530 122 E N 0.440 120.655 120.200 0.026 0.000 2.338 122 E HA 0.401 4.752 4.350 0.002 0.000 0.272 122 E C 0.697 177.342 176.600 0.075 0.000 1.029 122 E CA -0.417 56.016 56.400 0.055 0.000 0.872 122 E CB 1.858 31.605 29.700 0.078 0.000 1.015 122 E HN 0.172 nan 8.360 nan 0.000 0.417 123 V N 3.470 123.432 119.914 0.079 0.000 2.521 123 V HA -0.014 4.107 4.120 0.002 0.000 0.286 123 V C 0.502 176.689 176.094 0.155 0.000 1.034 123 V CA -0.356 62.009 62.300 0.108 0.000 1.045 123 V CB 0.890 32.775 31.823 0.102 0.000 0.974 123 V HN 0.352 nan 8.190 nan 0.000 0.480 124 V N 4.755 124.787 119.914 0.198 0.000 2.572 124 V HA 0.044 4.165 4.120 0.002 0.000 0.291 124 V C 0.820 177.102 176.094 0.314 0.000 1.039 124 V CA -0.329 62.121 62.300 0.250 0.000 1.055 124 V CB 0.527 32.508 31.823 0.263 0.000 0.969 124 V HN 0.855 nan 8.190 nan 0.000 0.482 125 D N 3.191 123.732 120.400 0.236 0.000 2.581 125 D HA -0.096 4.545 4.640 0.002 0.000 0.238 125 D C 1.378 177.814 176.300 0.227 0.000 1.145 125 D CA 0.680 54.793 54.000 0.189 0.000 0.866 125 D CB 0.962 41.829 40.800 0.112 0.000 1.151 125 D HN 0.744 nan 8.370 nan 0.000 0.500 126 S N 3.147 118.948 115.700 0.167 0.000 2.420 126 S HA -0.239 4.233 4.470 0.002 0.000 0.237 126 S C 1.834 176.267 174.600 -0.278 0.000 1.023 126 S CA 1.559 59.752 58.200 -0.011 0.000 0.991 126 S CB 0.083 63.316 63.200 0.054 0.000 0.792 126 S HN 0.584 nan 8.310 nan 0.000 0.488 127 A N 0.996 123.725 122.820 -0.152 0.000 2.067 127 A HA 0.038 4.359 4.320 0.002 0.000 0.219 127 A C 1.751 179.276 177.584 -0.099 0.000 1.158 127 A CA 1.309 53.243 52.037 -0.171 0.000 0.661 127 A CB -0.638 18.303 19.000 -0.100 0.000 0.801 127 A HN 0.799 nan 8.150 nan 0.000 0.452 128 N N -0.662 118.040 118.700 0.003 0.000 2.336 128 N HA 0.106 4.847 4.740 0.002 0.000 0.189 128 N C -0.244 175.403 175.510 0.229 0.000 1.113 128 N CA -0.115 52.996 53.050 0.101 0.000 0.858 128 N CB 0.206 38.774 38.487 0.135 0.000 0.970 128 N HN 0.831 nan 8.380 nan 0.000 0.471 129 W N 0.616 121.990 121.300 0.123 0.000 3.107 129 W HA 0.493 5.154 4.660 0.002 0.000 0.331 129 W C -1.100 175.543 176.519 0.205 0.000 1.204 129 W CA -0.912 56.510 57.345 0.128 0.000 1.184 129 W CB 0.449 29.961 29.460 0.087 0.000 1.421 129 W HN -0.272 nan 8.180 nan 0.000 0.544 130 T N 0.384 115.205 114.554 0.445 0.000 2.900 130 T HA 0.540 4.891 4.350 0.002 0.000 0.295 130 T C -1.387 173.522 174.700 0.348 0.000 1.044 130 T CA -0.797 61.490 62.100 0.312 0.000 0.995 130 T CB 2.253 71.246 68.868 0.209 0.000 1.072 130 T HN 0.578 nan 8.240 nan 0.000 0.473 131 L N 2.723 124.094 121.223 0.246 0.000 2.281 131 L HA 0.405 4.746 4.340 0.002 0.000 0.285 131 L C 0.256 177.180 176.870 0.090 0.000 1.074 131 L CA -0.127 54.802 54.840 0.149 0.000 0.817 131 L CB 0.392 42.500 42.059 0.081 0.000 1.168 131 L HN 0.825 nan 8.230 nan 0.000 0.434 132 D N 3.836 124.251 120.400 0.025 0.000 2.533 132 D HA -0.051 4.590 4.640 0.002 0.000 0.236 132 D C 0.895 177.236 176.300 0.069 0.000 1.137 132 D CA 0.745 54.795 54.000 0.082 0.000 0.867 132 D CB 1.673 42.500 40.800 0.044 0.000 1.170 132 D HN 0.845 nan 8.370 nan 0.000 0.474 133 A N 4.248 127.113 122.820 0.076 0.000 2.015 133 A HA -0.160 4.161 4.320 0.002 0.000 0.219 133 A C 1.542 179.154 177.584 0.047 0.000 1.163 133 A CA 1.259 53.327 52.037 0.052 0.000 0.646 133 A CB 0.155 19.182 19.000 0.044 0.000 0.806 133 A HN 0.648 nan 8.150 nan 0.000 0.448 134 D N -1.239 119.193 120.400 0.053 0.000 2.431 134 D HA 0.104 4.745 4.640 0.002 0.000 0.227 134 D C 0.328 176.653 176.300 0.042 0.000 1.030 134 D CA 0.253 54.280 54.000 0.045 0.000 0.897 134 D CB 0.382 41.209 40.800 0.045 0.000 1.058 134 D HN 0.521 nan 8.370 nan 0.000 0.500 135 E N 1.087 121.313 120.200 0.044 0.000 2.207 135 E HA 0.155 4.506 4.350 0.002 0.000 0.270 135 E C -0.861 175.743 176.600 0.007 0.000 0.927 135 E CA -0.586 55.831 56.400 0.029 0.000 0.799 135 E CB 1.732 31.454 29.700 0.037 0.000 1.172 135 E HN -0.153 nan 8.360 nan 0.000 0.404 136 D N 2.213 122.612 120.400 -0.003 0.000 2.848 136 D HA 0.069 4.710 4.640 0.002 0.000 0.232 136 D C -0.820 175.427 176.300 -0.088 0.000 1.107 136 D CA 0.581 54.557 54.000 -0.040 0.000 1.020 136 D CB -0.112 40.660 40.800 -0.046 0.000 1.148 136 D HN 0.141 nan 8.370 nan 0.000 0.453 137 T N -0.503 113.991 114.554 -0.100 0.000 2.886 137 T HA 0.373 4.724 4.350 0.002 0.000 0.292 137 T C -0.018 174.525 174.700 -0.262 0.000 1.012 137 T CA -0.584 61.413 62.100 -0.172 0.000 0.982 137 T CB 2.583 71.347 68.868 -0.173 0.000 1.018 137 T HN -0.213 nan 8.240 nan 0.000 0.451 138 V N 4.224 124.006 119.914 -0.220 0.000 2.435 138 V HA 0.380 4.501 4.120 0.002 0.000 0.290 138 V C -0.402 175.574 176.094 -0.197 0.000 1.030 138 V CA -0.833 61.373 62.300 -0.155 0.000 0.881 138 V CB 1.104 32.886 31.823 -0.067 0.000 0.983 138 V HN 0.821 nan 8.190 nan 0.000 0.445 139 H N 3.482 122.629 119.070 0.129 0.000 2.467 139 H HA 0.649 5.206 4.556 0.002 0.000 0.326 139 H C -0.673 174.733 175.328 0.129 0.000 1.094 139 H CA -0.461 55.641 56.048 0.089 0.000 1.253 139 H CB 1.937 31.744 29.762 0.076 0.000 1.439 139 H HN 0.378 nan 8.280 nan 0.000 0.479 140 V N 2.502 122.512 119.914 0.160 0.000 2.656 140 V HA 0.426 4.547 4.120 0.002 0.000 0.307 140 V C 0.083 176.183 176.094 0.010 0.000 1.051 140 V CA -0.803 61.553 62.300 0.094 0.000 0.893 140 V CB 1.800 33.585 31.823 -0.064 0.000 0.999 140 V HN 0.953 nan 8.190 nan 0.000 0.426 141 S N 1.274 116.988 115.700 0.025 0.000 2.704 141 S HA 0.831 5.302 4.470 0.002 0.000 0.296 141 S C 0.659 175.243 174.600 -0.027 0.000 1.138 141 S CA -0.175 58.013 58.200 -0.020 0.000 0.875 141 S CB 1.674 64.873 63.200 -0.001 0.000 1.151 141 S HN 2.386 nan 8.310 nan 0.000 0.500 142 G N -0.308 108.469 108.800 -0.038 0.000 2.249 142 G HA2 -0.167 3.794 3.960 0.002 0.000 0.273 142 G HA3 -0.167 3.794 3.960 0.002 0.000 0.273 142 G C 0.127 175.004 174.900 -0.038 0.000 1.036 142 G CA 0.355 45.439 45.100 -0.027 0.000 0.824 142 G HN 1.878 nan 8.290 nan 0.000 0.504 143 V N -3.045 116.813 119.914 -0.095 0.000 3.109 143 V HA 0.958 5.079 4.120 0.002 0.000 0.317 143 V C 0.694 176.734 176.094 -0.090 0.000 1.074 143 V CA -0.554 61.680 62.300 -0.110 0.000 1.033 143 V CB 1.730 33.312 31.823 -0.403 0.000 1.111 143 V HN 1.692 nan 8.190 nan 0.000 0.458 144 A N 1.482 124.255 122.820 -0.079 0.000 2.331 144 A HA 0.838 5.159 4.320 0.002 0.000 0.283 144 A C 0.479 177.934 177.584 -0.214 0.000 1.142 144 A CA -0.078 51.797 52.037 -0.270 0.000 0.812 144 A CB 0.336 18.907 19.000 -0.716 0.000 1.074 144 A HN 2.087 nan 8.150 nan 0.000 0.497 145 A N 1.035 123.731 122.820 -0.206 0.000 2.407 145 A HA 0.507 4.828 4.320 0.002 0.000 0.248 145 A C 0.079 177.561 177.584 -0.169 0.000 1.082 145 A CA 0.376 52.182 52.037 -0.385 0.000 0.785 145 A CB -0.804 17.824 19.000 -0.621 0.000 1.020 145 A HN 1.645 nan 8.150 nan 0.000 0.489 146 W N -1.254 120.159 121.300 0.188 0.000 2.279 146 W HA -0.189 4.472 4.660 0.002 0.000 0.275 146 W C 0.391 177.074 176.519 0.273 0.000 1.083 146 W CA 0.717 58.181 57.345 0.199 0.000 0.504 146 W CB -2.289 27.263 29.460 0.153 0.000 2.112 146 W HN 0.869 nan 8.180 nan 0.000 1.261 147 H N 0.321 119.489 119.070 0.163 0.000 2.544 147 H HA 0.463 5.020 4.556 0.002 0.000 0.342 147 H C 0.187 175.462 175.328 -0.089 0.000 1.185 147 H CA -0.901 55.138 56.048 -0.015 0.000 1.264 147 H CB 1.243 30.906 29.762 -0.165 0.000 1.607 147 H HN -0.073 nan 8.280 nan 0.000 0.550 148 E N 1.241 121.359 120.200 -0.137 0.000 2.191 148 E HA 0.234 4.585 4.350 0.002 0.000 0.278 148 E C -1.252 175.146 176.600 -0.336 0.000 0.972 148 E CA -0.416 55.921 56.400 -0.104 0.000 0.804 148 E CB 1.311 30.981 29.700 -0.050 0.000 1.110 148 E HN 0.364 nan 8.360 nan 0.000 0.394 149 Y N 0.294 120.619 120.300 0.041 0.000 2.485 149 Y HA 0.415 4.966 4.550 0.002 0.000 0.345 149 Y C 0.440 176.340 175.900 -0.000 0.000 0.998 149 Y CA -0.705 57.406 58.100 0.018 0.000 1.059 149 Y CB 2.266 40.730 38.460 0.007 0.000 1.234 149 Y HN 0.453 nan 8.280 nan 0.000 0.461 150 T N -1.542 113.088 114.554 0.127 0.000 2.883 150 T HA 0.828 5.179 4.350 0.002 0.000 0.296 150 T C -1.464 173.244 174.700 0.014 0.000 1.117 150 T CA -0.891 61.247 62.100 0.064 0.000 1.006 150 T CB 1.439 70.326 68.868 0.033 0.000 1.191 150 T HN 0.338 nan 8.240 nan 0.000 0.508 151 V N 1.374 121.293 119.914 0.009 0.000 2.604 151 V HA 0.639 4.760 4.120 0.002 0.000 0.305 151 V C -0.240 175.881 176.094 0.044 0.000 1.043 151 V CA -0.868 61.406 62.300 -0.044 0.000 0.888 151 V CB 2.031 33.793 31.823 -0.101 0.000 0.995 151 V HN 1.080 nan 8.190 nan 0.000 0.429 152 S N 5.299 120.983 115.700 -0.028 0.000 2.438 152 S HA 0.774 5.246 4.470 0.002 0.000 0.316 152 S C -0.641 173.892 174.600 -0.112 0.000 1.084 152 S CA -0.464 57.693 58.200 -0.072 0.000 1.107 152 S CB 0.371 63.489 63.200 -0.138 0.000 0.981 152 S HN 0.635 nan 8.310 nan 0.000 0.466 153 F N 0.564 120.220 119.950 -0.491 0.000 2.588 153 F HA 0.744 5.272 4.527 0.002 0.000 0.314 153 F C -1.112 174.225 175.800 -0.772 0.000 1.069 153 F CA -1.602 55.623 58.000 -1.291 0.000 0.931 153 F CB 0.764 38.502 39.000 -2.103 0.000 1.260 153 F HN 0.220 nan 8.300 nan 0.000 0.465 154 L N 2.810 123.624 121.223 -0.682 0.000 2.349 154 L HA 0.688 5.029 4.340 0.002 0.000 0.275 154 L C 0.035 176.676 176.870 -0.381 0.000 1.115 154 L CA -0.609 53.863 54.840 -0.614 0.000 0.820 154 L CB 1.287 43.066 42.059 -0.467 0.000 1.135 154 L HN 0.948 nan 8.230 nan 0.000 0.445 155 A N 3.266 125.808 122.820 -0.462 0.000 2.371 155 A HA 0.627 4.948 4.320 0.002 0.000 0.311 155 A C -1.254 176.188 177.584 -0.237 0.000 1.068 155 A CA -0.524 51.354 52.037 -0.265 0.000 0.744 155 A CB 0.671 19.511 19.000 -0.267 0.000 1.239 155 A HN 0.488 nan 8.150 nan 0.000 0.435 156 Y N 0.982 121.263 120.300 -0.030 0.000 2.497 156 Y HA 0.279 4.830 4.550 0.002 0.000 0.334 156 Y C 0.521 176.416 175.900 -0.008 0.000 1.199 156 Y CA 0.430 58.525 58.100 -0.009 0.000 1.425 156 Y CB 0.445 38.916 38.460 0.018 0.000 1.291 156 Y HN 0.453 nan 8.280 nan 0.000 0.562 157 I N 5.385 126.065 120.570 0.182 0.000 2.287 157 I HA 0.119 4.290 4.170 0.002 0.000 0.290 157 I C 1.059 177.262 176.117 0.143 0.000 1.069 157 I CA 0.058 61.430 61.300 0.120 0.000 1.237 157 I CB 0.382 38.430 38.000 0.080 0.000 1.418 157 I HN 0.651 nan 8.210 nan 0.000 0.481 158 I N 2.775 123.426 120.570 0.136 0.000 3.728 158 I HA 0.224 4.396 4.170 0.002 0.000 0.307 158 I C 0.038 176.258 176.117 0.172 0.000 1.276 158 I CA 0.234 61.604 61.300 0.116 0.000 1.285 158 I CB 0.286 38.320 38.000 0.057 0.000 1.038 158 I HN 0.425 nan 8.210 nan 0.000 0.445 159 W N 2.939 124.220 121.300 -0.031 0.000 2.785 159 W HA 0.398 5.059 4.660 0.002 0.000 0.333 159 W C -1.110 175.367 176.519 -0.070 0.000 1.062 159 W CA -1.863 55.446 57.345 -0.059 0.000 1.233 159 W CB 1.369 30.744 29.460 -0.141 0.000 1.413 159 W HN -0.029 nan 8.180 nan 0.000 0.489 160 D N 6.301 126.878 120.400 0.295 0.000 2.382 160 D HA 0.115 4.756 4.640 0.002 0.000 0.259 160 D C -1.432 174.743 176.300 -0.209 0.000 1.224 160 D CA -0.737 53.273 54.000 0.016 0.000 0.894 160 D CB 1.797 42.606 40.800 0.016 0.000 1.127 160 D HN -0.020 nan 8.370 nan 0.000 0.487 161 P HA -0.208 nan 4.420 nan 0.000 0.216 161 P C 1.313 178.418 177.300 -0.326 0.000 1.153 161 P CA 0.630 63.550 63.100 -0.300 0.000 0.858 161 P CB 0.223 31.787 31.700 -0.228 0.000 0.789 162 V N -0.173 119.596 119.914 -0.243 0.000 2.453 162 V HA -0.164 3.957 4.120 0.002 0.000 0.247 162 V C 2.506 178.525 176.094 -0.126 0.000 1.048 162 V CA 1.566 63.768 62.300 -0.164 0.000 1.049 162 V CB -0.984 30.759 31.823 -0.133 0.000 0.672 162 V HN 0.151 nan 8.190 nan 0.000 0.457 163 E N 0.058 120.175 120.200 -0.139 0.000 2.077 163 E HA -0.245 4.106 4.350 0.002 0.000 0.193 163 E C 2.199 178.707 176.600 -0.154 0.000 0.989 163 E CA 1.775 58.165 56.400 -0.016 0.000 0.800 163 E CB -0.167 29.591 29.700 0.097 0.000 0.746 163 E HN 0.562 nan 8.360 nan 0.000 0.452 164 M N -0.156 119.042 119.600 -0.670 0.000 2.115 164 M HA -0.278 4.203 4.480 0.002 0.000 0.258 164 M C 2.366 178.164 176.300 -0.836 0.000 1.071 164 M CA 2.104 56.548 55.300 -1.427 0.000 1.100 164 M CB -0.671 30.698 32.600 -2.051 0.000 1.292 164 M HN 0.164 nan 8.290 nan 0.000 0.415 165 Y N 1.366 121.219 120.300 -0.745 0.000 2.029 165 Y HA -0.413 4.138 4.550 0.002 0.000 0.269 165 Y C 1.741 177.395 175.900 -0.411 0.000 1.201 165 Y CA 2.851 60.650 58.100 -0.503 0.000 1.115 165 Y CB -0.999 37.284 38.460 -0.295 0.000 0.945 165 Y HN 0.487 nan 8.280 nan 0.000 0.497 166 N N -1.402 117.034 118.700 -0.440 0.000 2.120 166 N HA -0.220 4.522 4.740 0.002 0.000 0.188 166 N C 1.799 176.654 175.510 -1.092 0.000 1.024 166 N CA 1.361 53.991 53.050 -0.701 0.000 0.852 166 N CB -0.470 37.751 38.487 -0.444 0.000 1.003 166 N HN 0.641 nan 8.380 nan 0.000 0.424 167 H N 0.445 119.014 119.070 -0.835 0.000 2.290 167 H HA -0.039 4.518 4.556 0.002 0.000 0.298 167 H C 1.812 176.887 175.328 -0.421 0.000 1.087 167 H CA 1.563 57.329 56.048 -0.469 0.000 1.291 167 H CB -0.097 29.842 29.762 0.295 0.000 1.369 167 H HN 0.122 nan 8.280 nan 0.000 0.492 168 L N -0.489 120.620 121.223 -0.189 0.000 2.093 168 L HA -0.142 4.200 4.340 0.002 0.000 0.208 168 L C 2.491 179.174 176.870 -0.311 0.000 1.085 168 L CA 1.571 56.315 54.840 -0.161 0.000 0.755 168 L CB -0.460 41.465 42.059 -0.224 0.000 0.904 168 L HN 0.396 nan 8.230 nan 0.000 0.435 169 T N -0.872 113.351 114.554 -0.552 0.000 2.857 169 T HA -0.105 4.246 4.350 0.002 0.000 0.266 169 T C 1.431 175.894 174.700 -0.395 0.000 1.048 169 T CA 1.306 63.088 62.100 -0.531 0.000 1.139 169 T CB -0.262 68.092 68.868 -0.856 0.000 0.874 169 T HN 0.423 nan 8.240 nan 0.000 0.455 170 N N 0.662 119.028 118.700 -0.557 0.000 2.280 170 N HA 0.043 4.784 4.740 0.002 0.000 0.192 170 N C -0.638 174.708 175.510 -0.273 0.000 1.109 170 N CA -0.128 52.680 53.050 -0.403 0.000 0.855 170 N CB 0.383 38.493 38.487 -0.627 0.000 0.974 170 N HN 0.123 nan 8.380 nan 0.000 0.482 171 D N -0.379 119.861 120.400 -0.266 0.000 2.705 171 D HA -0.166 4.475 4.640 0.002 0.000 0.240 171 D C -0.250 176.042 176.300 -0.012 0.000 1.137 171 D CA 0.318 54.258 54.000 -0.100 0.000 0.677 171 D CB -0.731 40.058 40.800 -0.018 0.000 1.049 171 D HN 0.483 nan 8.370 nan 0.000 0.427 172 W N 0.298 121.397 121.300 -0.336 0.000 2.699 172 W HA 0.110 4.771 4.660 0.002 0.000 0.249 172 W C 2.257 178.573 176.519 -0.338 0.000 1.280 172 W CA 0.831 57.938 57.345 -0.396 0.000 1.345 172 W CB -0.924 28.222 29.460 -0.524 0.000 1.128 172 W HN 0.444 nan 8.180 nan 0.000 0.642 173 G N 1.102 109.869 108.800 -0.055 0.000 3.505 173 G HA2 -0.546 3.415 3.960 0.002 0.000 0.335 173 G HA3 -0.546 3.415 3.960 0.002 0.000 0.335 173 G C 1.198 176.313 174.900 0.358 0.000 2.094 173 G CA 2.151 47.389 45.100 0.230 0.000 2.354 173 G HN 0.335 nan 8.290 nan 0.000 0.904 174 D N 1.118 121.660 120.400 0.237 0.000 2.197 174 D HA 0.096 4.737 4.640 0.002 0.000 0.212 174 D C 1.655 178.078 176.300 0.205 0.000 0.963 174 D CA 1.190 55.301 54.000 0.185 0.000 0.864 174 D CB -0.140 40.717 40.800 0.096 0.000 1.009 174 D HN 0.756 nan 8.370 nan 0.000 0.479 175 K N 1.322 121.856 120.400 0.222 0.000 2.440 175 K HA -0.017 4.304 4.320 0.002 0.000 0.270 175 K C 0.147 176.859 176.600 0.187 0.000 0.980 175 K CA -0.288 56.090 56.287 0.152 0.000 0.953 175 K CB 0.093 32.628 32.500 0.060 0.000 0.925 175 K HN 0.154 nan 8.250 nan 0.000 0.497 176 E N 1.978 122.210 120.200 0.054 0.000 2.465 176 E HA -0.098 4.254 4.350 0.002 0.000 0.260 176 E C -0.825 175.801 176.600 0.044 0.000 0.980 176 E CA -0.087 56.294 56.400 -0.031 0.000 0.927 176 E CB 0.110 29.777 29.700 -0.056 0.000 0.934 176 E HN 0.563 nan 8.360 nan 0.000 0.459 177 H N 2.733 121.584 119.070 -0.365 0.000 2.975 177 H HA 0.027 4.584 4.556 0.002 0.000 0.303 177 H C -0.161 174.992 175.328 -0.291 0.000 1.023 177 H CA -0.331 55.303 56.048 -0.690 0.000 1.473 177 H CB 0.533 29.372 29.762 -1.539 0.000 1.498 177 H HN 0.549 nan 8.280 nan 0.000 0.549 178 E N 3.499 123.776 120.200 0.128 0.000 2.316 178 E HA 0.156 4.508 4.350 0.002 0.000 0.275 178 E C -0.230 176.488 176.600 0.197 0.000 1.029 178 E CA -0.268 56.224 56.400 0.154 0.000 0.871 178 E CB 1.110 30.898 29.700 0.147 0.000 1.022 178 E HN 0.417 nan 8.360 nan 0.000 0.418 179 I N 5.939 126.601 120.570 0.153 0.000 2.336 179 I HA 0.258 4.429 4.170 0.002 0.000 0.292 179 I C -2.055 174.175 176.117 0.188 0.000 0.991 179 I CA -2.238 59.161 61.300 0.165 0.000 1.227 179 I CB 1.274 39.350 38.000 0.127 0.000 1.366 179 I HN 0.294 nan 8.210 nan 0.000 0.466 180 P HA 0.370 nan 4.420 nan 0.000 0.278 180 P C -1.260 176.124 177.300 0.140 0.000 1.258 180 P CA -0.267 62.818 63.100 -0.025 0.000 0.811 180 P CB 0.807 32.494 31.700 -0.022 0.000 1.063 181 F N -1.628 118.421 119.950 0.165 0.000 2.593 181 F HA 0.647 5.175 4.527 0.002 0.000 0.320 181 F C -0.385 175.519 175.800 0.172 0.000 1.060 181 F CA -1.230 56.892 58.000 0.202 0.000 0.940 181 F CB 1.114 40.281 39.000 0.278 0.000 1.268 181 F HN 0.054 nan 8.300 nan 0.000 0.475 182 D N 2.042 122.699 120.400 0.428 0.000 2.441 182 D HA 0.274 4.915 4.640 0.002 0.000 0.231 182 D C 0.630 177.104 176.300 0.290 0.000 1.073 182 D CA -0.630 53.535 54.000 0.275 0.000 0.850 182 D CB 1.131 42.112 40.800 0.301 0.000 1.062 182 D HN 0.662 nan 8.370 nan 0.000 0.524 183 I N 1.475 122.165 120.570 0.200 0.000 3.241 183 I HA -0.027 4.145 4.170 0.002 0.000 0.280 183 I C 1.334 177.619 176.117 0.280 0.000 1.320 183 I CA 0.302 61.714 61.300 0.186 0.000 1.413 183 I CB -0.449 37.511 38.000 -0.068 0.000 1.060 183 I HN 0.271 nan 8.210 nan 0.000 0.500 184 Y N 1.940 122.282 120.300 0.071 0.000 2.274 184 Y HA -0.111 4.440 4.550 0.002 0.000 0.290 184 Y C 1.396 177.189 175.900 -0.178 0.000 1.145 184 Y CA 1.047 59.013 58.100 -0.224 0.000 1.203 184 Y CB -0.150 38.011 38.460 -0.497 0.000 0.984 184 Y HN 0.283 nan 8.280 nan 0.000 0.533 185 H N 1.814 121.019 119.070 0.225 0.000 2.819 185 H HA 0.068 4.625 4.556 0.002 0.000 0.303 185 H C -1.502 173.903 175.328 0.128 0.000 1.058 185 H CA -2.095 54.051 56.048 0.163 0.000 1.471 185 H CB 0.531 30.416 29.762 0.205 0.000 1.480 185 H HN 0.193 nan 8.280 nan 0.000 0.517 186 P HA -0.203 nan 4.420 nan 0.000 0.216 186 P C 1.296 178.686 177.300 0.150 0.000 1.153 186 P CA 1.726 64.901 63.100 0.125 0.000 0.858 186 P CB 0.218 31.972 31.700 0.090 0.000 0.789 187 A N -0.318 122.615 122.820 0.189 0.000 1.841 187 A HA -0.152 4.169 4.320 0.002 0.000 0.214 187 A C 2.412 180.143 177.584 0.245 0.000 1.195 187 A CA 2.587 54.756 52.037 0.220 0.000 0.611 187 A CB -1.932 17.190 19.000 0.203 0.000 0.835 187 A HN 0.163 nan 8.150 nan 0.000 0.443 188 T N -0.673 114.098 114.554 0.361 0.000 2.699 188 T HA -0.200 4.151 4.350 0.002 0.000 0.268 188 T C 2.050 176.805 174.700 0.092 0.000 1.036 188 T CA 1.807 64.069 62.100 0.269 0.000 1.147 188 T CB -0.272 68.865 68.868 0.448 0.000 0.862 188 T HN 0.556 nan 8.240 nan 0.000 0.446 189 R N 0.949 121.540 120.500 0.151 0.000 2.091 189 R HA -0.067 4.274 4.340 0.002 0.000 0.238 189 R C 2.473 178.866 176.300 0.155 0.000 1.136 189 R CA 1.546 57.729 56.100 0.138 0.000 0.959 189 R CB -0.118 30.288 30.300 0.177 0.000 0.856 189 R HN 0.249 nan 8.270 nan 0.000 0.437 190 K N -0.470 119.987 120.400 0.095 0.000 2.057 190 K HA -0.179 4.142 4.320 0.002 0.000 0.206 190 K C 1.940 178.492 176.600 -0.080 0.000 1.050 190 K CA 1.494 57.815 56.287 0.058 0.000 0.935 190 K CB -0.262 32.258 32.500 0.034 0.000 0.715 190 K HN 0.145 nan 8.250 nan 0.000 0.439 191 F N 1.623 121.285 119.950 -0.480 0.000 2.043 191 F HA -0.283 4.245 4.527 0.002 0.000 0.297 191 F C 1.926 177.452 175.800 -0.457 0.000 1.121 191 F CA 1.622 59.151 58.000 -0.785 0.000 1.199 191 F CB -0.606 37.276 39.000 -1.864 0.000 0.968 191 F HN -0.216 nan 8.300 nan 0.000 0.478 192 V N 0.177 119.915 119.914 -0.294 0.000 2.278 192 V HA -0.360 3.761 4.120 0.002 0.000 0.251 192 V C 2.323 178.265 176.094 -0.254 0.000 1.062 192 V CA 2.387 64.549 62.300 -0.230 0.000 1.038 192 V CB -0.991 30.765 31.823 -0.113 0.000 0.646 192 V HN 0.333 nan 8.190 nan 0.000 0.447 193 F N 0.346 120.270 119.950 -0.044 0.000 2.163 193 F HA -0.087 4.441 4.527 0.002 0.000 0.297 193 F C 2.279 178.067 175.800 -0.020 0.000 1.094 193 F CA 1.503 59.515 58.000 0.020 0.000 1.290 193 F CB -0.688 38.312 39.000 0.001 0.000 1.017 193 F HN 0.199 nan 8.300 nan 0.000 0.483 194 D N -0.518 119.899 120.400 0.029 0.000 2.117 194 D HA -0.136 4.505 4.640 0.002 0.000 0.197 194 D C 2.253 178.478 176.300 -0.125 0.000 0.987 194 D CA 1.856 55.818 54.000 -0.064 0.000 0.829 194 D CB -0.851 39.869 40.800 -0.134 0.000 0.961 194 D HN 0.191 nan 8.370 nan 0.000 0.460 195 T N 0.374 114.745 114.554 -0.305 0.000 2.821 195 T HA -0.125 4.227 4.350 0.002 0.000 0.267 195 T C 1.648 176.406 174.700 0.096 0.000 1.046 195 T CA 0.475 62.410 62.100 -0.275 0.000 1.139 195 T CB -0.334 68.101 68.868 -0.723 0.000 0.871 195 T HN 0.079 nan 8.240 nan 0.000 0.454 196 F N 2.035 121.975 119.950 -0.017 0.000 2.186 196 F HA 0.049 4.577 4.527 0.002 0.000 0.299 196 F C 2.340 178.200 175.800 0.100 0.000 1.090 196 F CA 1.017 59.026 58.000 0.014 0.000 1.307 196 F CB -0.396 38.568 39.000 -0.059 0.000 1.019 196 F HN 0.179 nan 8.300 nan 0.000 0.489 197 E N -0.305 119.895 120.200 0.001 0.000 2.058 197 E HA -0.335 4.016 4.350 0.002 0.000 0.194 197 E C 2.225 178.778 176.600 -0.078 0.000 0.997 197 E CA 1.518 57.864 56.400 -0.089 0.000 0.801 197 E CB -0.279 29.417 29.700 -0.006 0.000 0.746 197 E HN 0.371 nan 8.360 nan 0.000 0.450 198 Q N 0.124 119.919 119.800 -0.009 0.000 2.084 198 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 198 Q C 1.635 177.666 176.000 0.051 0.000 0.978 198 Q CA 2.134 57.944 55.803 0.013 0.000 0.844 198 Q CB -0.821 27.931 28.738 0.024 0.000 0.898 198 Q HN 0.543 nan 8.270 nan 0.000 0.426 199 W N 0.153 121.409 121.300 -0.074 0.000 2.338 199 W HA -0.163 4.498 4.660 0.002 0.000 0.304 199 W C 1.569 177.998 176.519 -0.151 0.000 1.212 199 W CA 1.636 58.958 57.345 -0.039 0.000 1.264 199 W CB -0.284 29.234 29.460 0.096 0.000 1.142 199 W HN 0.213 nan 8.180 nan 0.000 0.512 200 L N 0.707 121.868 121.223 -0.103 0.000 2.042 200 L HA -0.279 4.062 4.340 0.002 0.000 0.210 200 L C 2.490 179.178 176.870 -0.303 0.000 1.076 200 L CA 1.816 56.474 54.840 -0.305 0.000 0.749 200 L CB -0.824 41.016 42.059 -0.365 0.000 0.893 200 L HN -0.035 nan 8.230 nan 0.000 0.432 201 K N -0.366 119.909 120.400 -0.209 0.000 2.148 201 K HA -0.125 4.196 4.320 0.002 0.000 0.204 201 K C 1.056 177.543 176.600 -0.188 0.000 1.050 201 K CA 1.120 57.309 56.287 -0.162 0.000 0.942 201 K CB -0.102 32.337 32.500 -0.102 0.000 0.724 201 K HN 0.244 nan 8.250 nan 0.000 0.446 202 D N 0.098 120.357 120.400 -0.235 0.000 2.336 202 D HA 0.015 4.656 4.640 0.002 0.000 0.229 202 D C -0.292 175.788 176.300 -0.366 0.000 1.061 202 D CA 0.503 54.359 54.000 -0.239 0.000 0.875 202 D CB 0.494 41.192 40.800 -0.171 0.000 0.904 202 D HN -0.114 nan 8.370 nan 0.000 0.525 203 S N 0.730 116.144 115.700 -0.476 0.000 2.399 203 S HA 0.147 4.618 4.470 0.002 0.000 0.198 203 S C -1.876 172.518 174.600 -0.343 0.000 1.294 203 S CA -0.814 57.062 58.200 -0.540 0.000 1.237 203 S CB 1.548 64.080 63.200 -1.113 0.000 1.286 203 S HN 0.098 nan 8.310 nan 0.000 0.404 204 P HA -0.161 nan 4.420 nan 0.000 0.221 204 P C 1.434 178.671 177.300 -0.105 0.000 1.150 204 P CA 1.052 64.067 63.100 -0.141 0.000 0.800 204 P CB 0.158 31.796 31.700 -0.102 0.000 0.787 205 Q N -0.125 119.613 119.800 -0.103 0.000 2.451 205 Q HA 0.031 4.372 4.340 0.002 0.000 0.206 205 Q C 0.069 176.048 176.000 -0.035 0.000 0.947 205 Q CA 0.801 56.570 55.803 -0.055 0.000 0.937 205 Q CB -1.277 27.436 28.738 -0.043 0.000 1.025 205 Q HN 0.031 nan 8.270 nan 0.000 0.511 206 T N 2.574 117.085 114.554 -0.072 0.000 2.817 206 T HA 0.154 4.505 4.350 0.002 0.000 0.293 206 T C -0.001 174.712 174.700 0.022 0.000 0.964 206 T CA -0.366 61.725 62.100 -0.015 0.000 1.085 206 T CB 1.075 69.906 68.868 -0.061 0.000 0.921 206 T HN 0.172 nan 8.240 nan 0.000 0.502 207 D N 1.797 122.242 120.400 0.076 0.000 2.379 207 D HA 0.116 4.757 4.640 0.002 0.000 0.218 207 D C 0.215 176.563 176.300 0.080 0.000 1.006 207 D CA 0.578 54.628 54.000 0.084 0.000 0.893 207 D CB 0.704 41.568 40.800 0.108 0.000 1.019 207 D HN 0.254 nan 8.370 nan 0.000 0.503 208 V N 2.281 122.228 119.914 0.054 0.000 2.443 208 V HA 0.210 4.331 4.120 0.002 0.000 0.293 208 V C -0.117 175.927 176.094 -0.083 0.000 1.021 208 V CA -0.801 61.450 62.300 -0.082 0.000 0.848 208 V CB 2.408 33.965 31.823 -0.444 0.000 0.998 208 V HN -0.204 nan 8.190 nan 0.000 0.424 209 V N 5.379 125.250 119.914 -0.072 0.000 2.408 209 V HA 0.378 4.499 4.120 0.002 0.000 0.267 209 V C 0.651 176.489 176.094 -0.427 0.000 1.047 209 V CA -0.428 61.721 62.300 -0.251 0.000 0.937 209 V CB 0.868 32.471 31.823 -0.367 0.000 0.999 209 V HN 0.804 nan 8.190 nan 0.000 0.472 210 R N 4.940 125.194 120.500 -0.408 0.000 2.565 210 R HA 0.323 4.664 4.340 0.002 0.000 0.286 210 R C -0.961 175.089 176.300 -0.416 0.000 1.256 210 R CA -0.541 55.372 56.100 -0.312 0.000 1.238 210 R CB 0.044 30.244 30.300 -0.167 0.000 1.153 210 R HN 0.547 nan 8.270 nan 0.000 0.553 211 F N 1.913 121.675 119.950 -0.314 0.000 2.533 211 F HA 0.055 4.583 4.527 0.002 0.000 0.378 211 F C 0.870 176.412 175.800 -0.431 0.000 1.070 211 F CA 0.691 58.399 58.000 -0.486 0.000 1.172 211 F CB 1.221 39.729 39.000 -0.820 0.000 1.085 211 F HN 0.244 nan 8.300 nan 0.000 0.552 212 T N 2.069 116.502 114.554 -0.202 0.000 3.504 212 T HA 0.273 4.624 4.350 0.002 0.000 0.286 212 T C 0.432 175.199 174.700 0.111 0.000 1.530 212 T CA -0.349 61.741 62.100 -0.017 0.000 1.652 212 T CB 0.485 69.318 68.868 -0.058 0.000 0.895 212 T HN 0.632 nan 8.240 nan 0.000 0.674 213 T N -0.156 114.395 114.554 -0.004 0.000 2.977 213 T HA 0.512 4.863 4.350 0.002 0.000 0.152 213 T C -0.086 174.254 174.700 -0.600 0.000 0.867 213 T CA 0.015 61.971 62.100 -0.239 0.000 0.917 213 T CB 0.228 69.081 68.868 -0.024 0.000 2.051 213 T HN 0.179 nan 8.240 nan 0.000 0.350 214 F N -0.611 119.206 119.950 -0.222 0.000 2.126 214 F HA 0.535 5.064 4.527 0.002 0.000 0.200 214 F C 0.984 176.409 175.800 -0.625 0.000 1.294 214 F CA -0.772 56.795 58.000 -0.721 0.000 1.267 214 F CB -0.265 38.153 39.000 -0.970 0.000 1.855 214 F HN 0.150 nan 8.300 nan 0.000 0.193 215 F N -1.810 118.224 119.950 0.140 0.000 2.653 215 F HA 0.268 4.796 4.527 0.002 0.000 0.288 215 F C -0.635 174.871 175.800 -0.489 0.000 1.121 215 F CA -0.555 57.326 58.000 -0.198 0.000 1.384 215 F CB -0.305 38.559 39.000 -0.227 0.000 1.115 215 F HN -0.104 nan 8.300 nan 0.000 0.599 216 Y N 0.500 120.926 120.300 0.210 0.000 2.354 216 Y HA 0.480 5.032 4.550 0.002 0.000 0.330 216 Y C -0.163 175.774 175.900 0.061 0.000 1.011 216 Y CA -1.763 56.416 58.100 0.132 0.000 1.099 216 Y CB 1.309 39.849 38.460 0.133 0.000 1.179 216 Y HN -0.224 nan 8.280 nan 0.000 0.442 217 Q N 3.934 123.819 119.800 0.143 0.000 2.304 217 Q HA 0.302 4.644 4.340 0.002 0.000 0.260 217 Q C -0.633 175.371 176.000 0.007 0.000 0.965 217 Q CA -0.643 55.157 55.803 -0.005 0.000 0.898 217 Q CB 0.280 28.945 28.738 -0.122 0.000 1.196 217 Q HN 0.461 nan 8.270 nan 0.000 0.402 218 F N 1.109 121.106 119.950 0.079 0.000 2.628 218 F HA 0.228 4.756 4.527 0.002 0.000 0.362 218 F C 0.234 176.080 175.800 0.077 0.000 1.148 218 F CA -0.712 57.313 58.000 0.042 0.000 1.352 218 F CB -0.400 38.624 39.000 0.039 0.000 1.081 218 F HN 0.426 nan 8.300 nan 0.000 0.605 219 T N 5.269 120.013 114.554 0.316 0.000 2.750 219 T HA 0.254 4.605 4.350 0.002 0.000 0.277 219 T C -0.367 174.465 174.700 0.219 0.000 0.996 219 T CA 0.345 62.567 62.100 0.202 0.000 1.195 219 T CB -0.197 68.790 68.868 0.197 0.000 0.963 219 T HN 0.662 nan 8.240 nan 0.000 0.516 220 L N 5.831 127.096 121.223 0.070 0.000 2.628 220 L HA 0.433 4.774 4.340 0.002 0.000 0.258 220 L C -1.413 175.540 176.870 0.137 0.000 1.027 220 L CA -0.138 54.762 54.840 0.100 0.000 0.910 220 L CB 0.665 42.697 42.059 -0.045 0.000 1.157 220 L HN 0.564 nan 8.230 nan 0.000 0.452 221 L N 3.133 124.458 121.223 0.169 0.000 2.342 221 L HA 0.638 4.979 4.340 0.002 0.000 0.271 221 L C -0.812 176.276 176.870 0.364 0.000 1.008 221 L CA -0.629 54.347 54.840 0.228 0.000 0.818 221 L CB 1.853 43.971 42.059 0.098 0.000 1.296 221 L HN 0.259 nan 8.230 nan 0.000 0.427 222 F N 0.277 120.306 119.950 0.132 0.000 2.523 222 F HA 0.392 4.920 4.527 0.002 0.000 0.329 222 F C 0.267 176.168 175.800 0.167 0.000 1.061 222 F CA -0.934 57.125 58.000 0.099 0.000 0.967 222 F CB 1.591 40.624 39.000 0.055 0.000 1.218 222 F HN 0.530 nan 8.300 nan 0.000 0.480 223 D N -0.128 120.327 120.400 0.093 0.000 2.478 223 D HA 0.119 4.760 4.640 0.002 0.000 0.263 223 D C 0.708 177.075 176.300 0.112 0.000 1.153 223 D CA -0.425 53.609 54.000 0.056 0.000 1.038 223 D CB 0.259 41.003 40.800 -0.093 0.000 1.120 223 D HN 0.548 nan 8.370 nan 0.000 0.564 224 E N 0.018 120.283 120.200 0.108 0.000 2.510 224 E HA -0.204 4.147 4.350 0.002 0.000 0.202 224 E C 0.230 176.879 176.600 0.082 0.000 1.072 224 E CA 0.861 57.363 56.400 0.169 0.000 0.883 224 E CB -0.274 29.502 29.700 0.127 0.000 0.818 224 E HN 0.533 nan 8.360 nan 0.000 0.548 225 K N 0.519 120.905 120.400 -0.024 0.000 2.455 225 K HA 0.255 4.576 4.320 0.002 0.000 0.206 225 K C -0.182 176.324 176.600 -0.156 0.000 1.027 225 K CA -0.251 55.999 56.287 -0.061 0.000 1.113 225 K CB 0.505 32.972 32.500 -0.055 0.000 0.850 225 K HN -0.009 nan 8.250 nan 0.000 0.503 226 R N 0.432 120.730 120.500 -0.336 0.000 3.878 226 R HA -0.194 4.147 4.340 0.002 0.000 0.330 226 R C -0.581 175.652 176.300 -0.111 0.000 1.186 226 R CA 0.816 56.612 56.100 -0.507 0.000 0.885 226 R CB -1.784 28.252 30.300 -0.440 0.000 1.377 226 R HN 0.212 nan 8.270 nan 0.000 0.523 227 R N 1.157 121.519 120.500 -0.230 0.000 2.643 227 R HA 0.285 4.626 4.340 0.002 0.000 0.272 227 R C 0.130 175.766 176.300 -1.106 0.000 0.995 227 R CA -0.970 54.866 56.100 -0.439 0.000 1.032 227 R CB 0.775 30.904 30.300 -0.286 0.000 1.126 227 R HN 0.111 nan 8.270 nan 0.000 0.505 228 E N 1.822 121.172 120.200 -1.416 0.000 2.465 228 E HA -0.124 4.227 4.350 0.002 0.000 0.260 228 E C 0.158 176.420 176.600 -0.563 0.000 0.980 228 E CA 0.371 55.998 56.400 -1.289 0.000 0.927 228 E CB 0.741 30.042 29.700 -0.664 0.000 0.934 228 E HN 0.458 nan 8.360 nan 0.000 0.459 229 K N 2.909 123.089 120.400 -0.367 0.000 2.306 229 K HA 0.130 4.451 4.320 0.002 0.000 0.200 229 K C -0.555 175.969 176.600 -0.126 0.000 1.083 229 K CA 0.318 56.494 56.287 -0.185 0.000 0.959 229 K CB 0.851 33.293 32.500 -0.097 0.000 0.994 229 K HN 0.361 nan 8.250 nan 0.000 0.492 230 V N 1.742 121.591 119.914 -0.109 0.000 2.612 230 V HA 0.371 4.492 4.120 0.002 0.000 0.301 230 V C -1.335 174.748 176.094 -0.018 0.000 1.059 230 V CA -0.954 61.282 62.300 -0.107 0.000 0.886 230 V CB 1.608 33.243 31.823 -0.314 0.000 1.007 230 V HN -0.026 nan 8.190 nan 0.000 0.426 231 V N 3.596 123.533 119.914 0.039 0.000 2.709 231 V HA 0.859 4.980 4.120 0.002 0.000 0.308 231 V C -1.874 174.324 176.094 0.174 0.000 1.062 231 V CA -0.121 62.266 62.300 0.145 0.000 0.901 231 V CB 2.262 34.174 31.823 0.148 0.000 1.003 231 V HN 1.007 nan 8.190 nan 0.000 0.425 232 D N 4.156 124.711 120.400 0.259 0.000 2.764 232 D HA 0.157 4.798 4.640 0.002 0.000 0.227 232 D C -0.165 176.245 176.300 0.183 0.000 1.347 232 D CA -0.435 53.711 54.000 0.242 0.000 0.953 232 D CB 1.356 42.325 40.800 0.281 0.000 1.476 232 D HN 0.579 nan 8.370 nan 0.000 0.585 233 W N 4.084 125.166 121.300 -0.364 0.000 2.525 233 W HA 0.052 4.713 4.660 0.002 0.000 0.259 233 W C 0.538 176.773 176.519 -0.472 0.000 1.253 233 W CA 0.724 57.555 57.345 -0.857 0.000 1.262 233 W CB -0.100 28.750 29.460 -1.017 0.000 1.122 233 W HN 0.389 nan 8.180 nan 0.000 0.607 234 F N -0.433 119.570 119.950 0.087 0.000 2.682 234 F HA 0.445 4.973 4.527 0.002 0.000 0.308 234 F C 1.599 177.348 175.800 -0.086 0.000 1.093 234 F CA -0.187 57.739 58.000 -0.125 0.000 1.244 234 F CB -0.864 38.047 39.000 -0.148 0.000 1.052 234 F HN -0.249 nan 8.300 nan 0.000 0.573 235 G N -0.335 108.588 108.800 0.204 0.000 2.441 235 G HA2 0.178 4.139 3.960 0.002 0.000 0.243 235 G HA3 0.178 4.139 3.960 0.002 0.000 0.243 235 G C 0.183 175.187 174.900 0.174 0.000 1.281 235 G CA -0.220 45.009 45.100 0.215 0.000 0.854 235 G HN 0.404 nan 8.290 nan 0.000 0.560 236 C N 2.502 121.923 119.300 0.201 0.000 2.688 236 C HA 0.381 4.842 4.460 0.002 0.000 0.297 236 C C 2.550 177.694 174.990 0.256 0.000 1.308 236 C CA 0.042 59.203 59.018 0.240 0.000 1.726 236 C CB -1.101 26.854 27.740 0.357 0.000 1.982 236 C HN 0.881 nan 8.230 nan 0.000 0.604 237 A N -0.497 122.452 122.820 0.214 0.000 1.908 237 A HA -0.197 4.124 4.320 0.002 0.000 0.218 237 A C 1.510 179.135 177.584 0.068 0.000 1.181 237 A CA 1.656 53.797 52.037 0.172 0.000 0.627 237 A CB -0.686 18.416 19.000 0.171 0.000 0.818 237 A HN 0.628 nan 8.150 nan 0.000 0.445 238 C N 0.887 120.244 119.300 0.095 0.000 2.554 238 C HA 0.381 4.842 4.460 0.002 0.000 0.434 238 C C 1.690 176.793 174.990 0.189 0.000 1.316 238 C CA 0.609 59.682 59.018 0.092 0.000 1.671 238 C CB -2.028 25.765 27.740 0.090 0.000 2.172 238 C HN 0.702 nan 8.230 nan 0.000 0.601 239 T N -3.742 110.880 114.554 0.115 0.000 3.253 239 T HA 0.243 4.594 4.350 0.002 0.000 0.299 239 T C 0.057 174.817 174.700 0.100 0.000 0.927 239 T CA 0.062 62.207 62.100 0.076 0.000 0.926 239 T CB -0.452 68.405 68.868 -0.018 0.000 1.183 239 T HN 0.285 nan 8.240 nan 0.000 0.557 240 V N 0.358 120.246 119.914 -0.043 0.000 2.966 240 V HA 1.021 5.142 4.120 0.002 0.000 0.317 240 V C -0.343 175.674 176.094 -0.127 0.000 1.070 240 V CA -0.467 61.734 62.300 -0.164 0.000 1.008 240 V CB 1.385 32.832 31.823 -0.627 0.000 1.070 240 V HN 0.803 nan 8.190 nan 0.000 0.457 241 S N 0.072 115.695 115.700 -0.128 0.000 2.578 241 S HA 0.542 5.013 4.470 0.002 0.000 0.272 241 S C -2.602 171.946 174.600 -0.088 0.000 1.145 241 S CA -0.718 57.436 58.200 -0.076 0.000 0.835 241 S CB 1.207 64.466 63.200 0.098 0.000 1.104 241 S HN 0.449 nan 8.310 nan 0.000 0.458 242 P HA -0.116 nan 4.420 nan 0.000 0.216 242 P C 1.671 179.038 177.300 0.111 0.000 1.153 242 P CA 1.225 64.172 63.100 -0.255 0.000 0.858 242 P CB 0.042 31.409 31.700 -0.555 0.000 0.789 243 R N 0.408 121.011 120.500 0.171 0.000 2.080 243 R HA -0.083 4.258 4.340 0.002 0.000 0.236 243 R C 2.121 178.584 176.300 0.271 0.000 1.137 243 R CA 2.214 58.482 56.100 0.280 0.000 0.943 243 R CB -1.609 28.932 30.300 0.403 0.000 0.846 243 R HN 0.066 nan 8.270 nan 0.000 0.431 244 A N 0.440 123.304 122.820 0.073 0.000 1.902 244 A HA -0.101 4.220 4.320 0.002 0.000 0.217 244 A C 2.364 180.074 177.584 0.210 0.000 1.181 244 A CA 1.618 53.597 52.037 -0.096 0.000 0.623 244 A CB -0.689 18.000 19.000 -0.519 0.000 0.818 244 A HN 0.360 nan 8.150 nan 0.000 0.443 245 L N -0.455 120.901 121.223 0.223 0.000 2.012 245 L HA -0.220 4.121 4.340 0.002 0.000 0.210 245 L C 2.154 179.177 176.870 0.255 0.000 1.073 245 L CA 1.594 56.583 54.840 0.248 0.000 0.748 245 L CB -0.718 41.484 42.059 0.238 0.000 0.891 245 L HN 0.319 nan 8.230 nan 0.000 0.431 246 D N -0.129 120.429 120.400 0.264 0.000 2.117 246 D HA -0.171 4.471 4.640 0.002 0.000 0.197 246 D C 1.801 178.210 176.300 0.182 0.000 0.987 246 D CA 1.181 55.317 54.000 0.226 0.000 0.829 246 D CB -0.270 40.677 40.800 0.245 0.000 0.961 246 D HN 0.283 nan 8.370 nan 0.000 0.460 247 D N -0.171 120.356 120.400 0.211 0.000 2.144 247 D HA -0.129 4.512 4.640 0.002 0.000 0.199 247 D C 1.794 178.116 176.300 0.038 0.000 0.984 247 D CA 0.310 54.428 54.000 0.197 0.000 0.834 247 D CB -0.480 40.559 40.800 0.399 0.000 0.955 247 D HN 0.211 nan 8.370 nan 0.000 0.465 248 F N 1.718 121.481 119.950 -0.311 0.000 2.095 248 F HA -0.181 4.347 4.527 0.002 0.000 0.298 248 F C 2.278 177.974 175.800 -0.173 0.000 1.104 248 F CA 1.661 59.342 58.000 -0.533 0.000 1.232 248 F CB -0.029 38.622 39.000 -0.582 0.000 0.987 248 F HN -0.111 nan 8.300 nan 0.000 0.475 249 E N 0.238 120.503 120.200 0.108 0.000 2.085 249 E HA -0.263 4.088 4.350 0.002 0.000 0.194 249 E C 2.226 178.784 176.600 -0.069 0.000 0.994 249 E CA 1.128 57.540 56.400 0.021 0.000 0.801 249 E CB -0.337 29.427 29.700 0.106 0.000 0.743 249 E HN 0.524 nan 8.360 nan 0.000 0.453 250 A N 0.822 123.623 122.820 -0.032 0.000 1.898 250 A HA -0.166 4.155 4.320 0.002 0.000 0.216 250 A C 2.023 179.553 177.584 -0.091 0.000 1.181 250 A CA 1.582 53.602 52.037 -0.027 0.000 0.620 250 A CB -0.230 18.783 19.000 0.021 0.000 0.819 250 A HN 0.107 nan 8.150 nan 0.000 0.442 251 K N -2.132 118.179 120.400 -0.150 0.000 2.116 251 K HA -0.001 4.320 4.320 0.002 0.000 0.203 251 K C 1.200 177.527 176.600 -0.455 0.000 1.052 251 K CA 1.322 57.457 56.287 -0.254 0.000 0.952 251 K CB -0.129 32.259 32.500 -0.187 0.000 0.729 251 K HN 0.638 nan 8.250 nan 0.000 0.446 252 Y N -1.215 118.767 120.300 -0.530 0.000 2.444 252 Y HA 0.200 4.752 4.550 0.002 0.000 0.249 252 Y C 1.164 176.944 175.900 -0.200 0.000 1.134 252 Y CA 0.187 57.993 58.100 -0.490 0.000 1.261 252 Y CB 1.528 39.359 38.460 -1.048 0.000 1.143 252 Y HN 0.166 nan 8.280 nan 0.000 0.523 253 G N 0.372 109.130 108.800 -0.069 0.000 2.136 253 G HA2 -0.313 3.648 3.960 0.002 0.000 0.242 253 G HA3 -0.313 3.648 3.960 0.002 0.000 0.242 253 G C -0.372 174.647 174.900 0.197 0.000 0.989 253 G CA 0.414 45.550 45.100 0.059 0.000 0.682 253 G HN 0.528 nan 8.290 nan 0.000 0.522 254 Y N -2.716 117.629 120.300 0.075 0.000 2.592 254 Y HA 0.791 5.343 4.550 0.002 0.000 0.334 254 Y C -0.460 175.569 175.900 0.215 0.000 1.136 254 Y CA -1.873 56.301 58.100 0.123 0.000 1.042 254 Y CB 0.861 39.392 38.460 0.118 0.000 1.325 254 Y HN 0.204 nan 8.280 nan 0.000 0.457 255 R N 3.001 123.653 120.500 0.253 0.000 2.254 255 R HA 0.540 4.881 4.340 0.002 0.000 0.318 255 R C -1.132 175.286 176.300 0.197 0.000 1.031 255 R CA -0.559 55.646 56.100 0.176 0.000 0.905 255 R CB 0.619 30.997 30.300 0.130 0.000 1.050 255 R HN 0.891 nan 8.270 nan 0.000 0.456 256 L N 5.457 126.720 121.223 0.067 0.000 2.462 256 L HA 0.188 4.529 4.340 0.002 0.000 0.272 256 L C 0.754 177.622 176.870 -0.004 0.000 1.166 256 L CA 0.178 54.989 54.840 -0.049 0.000 0.880 256 L CB 0.479 42.353 42.059 -0.308 0.000 1.142 256 L HN 0.564 nan 8.230 nan 0.000 0.473 257 R N 4.173 124.648 120.500 -0.042 0.000 2.615 257 R HA 0.122 4.463 4.340 0.002 0.000 0.270 257 R C -1.493 174.694 176.300 -0.188 0.000 1.081 257 R CA -1.502 54.555 56.100 -0.071 0.000 1.154 257 R CB 0.217 30.475 30.300 -0.070 0.000 1.063 257 R HN 0.346 nan 8.270 nan 0.000 0.519 258 P HA -0.191 nan 4.420 nan 0.000 0.218 258 P C 0.761 177.786 177.300 -0.458 0.000 1.148 258 P CA 1.130 63.755 63.100 -0.790 0.000 0.822 258 P CB 0.257 31.515 31.700 -0.738 0.000 0.784 259 E N 0.065 120.097 120.200 -0.279 0.000 2.171 259 E HA -0.202 4.149 4.350 0.002 0.000 0.197 259 E C 1.357 177.805 176.600 -0.254 0.000 0.997 259 E CA 1.268 57.535 56.400 -0.223 0.000 0.810 259 E CB -1.008 28.600 29.700 -0.153 0.000 0.738 259 E HN 0.213 nan 8.360 nan 0.000 0.467 260 D N -1.372 118.835 120.400 -0.322 0.000 2.378 260 D HA -0.103 4.538 4.640 0.002 0.000 0.222 260 D C 0.837 176.691 176.300 -0.743 0.000 0.980 260 D CA 0.643 54.346 54.000 -0.496 0.000 0.907 260 D CB 0.055 40.502 40.800 -0.588 0.000 0.899 260 D HN 0.294 nan 8.370 nan 0.000 0.527 261 F N -0.401 119.345 119.950 -0.340 0.000 2.532 261 F HA -0.039 4.489 4.527 0.002 0.000 0.278 261 F C 2.355 178.017 175.800 -0.231 0.000 0.975 261 F CA -0.005 57.834 58.000 -0.268 0.000 1.292 261 F CB -0.648 38.205 39.000 -0.245 0.000 1.112 261 F HN -0.201 nan 8.300 nan 0.000 0.703 262 V N -1.886 117.932 119.914 -0.160 0.000 2.626 262 V HA -0.101 4.020 4.120 0.002 0.000 0.252 262 V C 0.639 176.469 176.094 -0.439 0.000 1.067 262 V CA 1.295 63.314 62.300 -0.468 0.000 1.081 262 V CB -0.847 30.707 31.823 -0.447 0.000 0.686 262 V HN 0.516 nan 8.190 nan 0.000 0.468 263 D N 0.825 121.071 120.400 -0.257 0.000 2.689 263 D HA -0.106 4.535 4.640 0.002 0.000 0.237 263 D C 1.239 177.444 176.300 -0.158 0.000 1.148 263 D CA 1.479 55.373 54.000 -0.176 0.000 0.656 263 D CB -1.519 39.215 40.800 -0.110 0.000 1.050 263 D HN 1.498 nan 8.370 nan 0.000 0.426 264 G N -0.833 107.866 108.800 -0.169 0.000 2.196 264 G HA2 -0.078 3.883 3.960 0.002 0.000 0.268 264 G HA3 -0.078 3.883 3.960 0.002 0.000 0.268 264 G C 1.450 176.275 174.900 -0.124 0.000 0.975 264 G CA 0.999 46.025 45.100 -0.123 0.000 0.648 264 G HN 1.797 nan 8.290 nan 0.000 0.538 265 G N -1.787 106.886 108.800 -0.213 0.000 2.255 265 G HA2 0.228 4.190 3.960 0.002 0.000 0.196 265 G HA3 0.228 4.190 3.960 0.002 0.000 0.196 265 G C 1.333 176.222 174.900 -0.018 0.000 0.998 265 G CA 1.149 46.156 45.100 -0.156 0.000 0.656 265 G HN 1.877 nan 8.290 nan 0.000 0.490 266 A N -0.291 122.518 122.820 -0.018 0.000 2.066 266 A HA 0.436 4.758 4.320 0.002 0.000 0.218 266 A C 1.388 179.116 177.584 0.239 0.000 1.157 266 A CA 1.764 53.868 52.037 0.111 0.000 0.670 266 A CB -0.514 18.533 19.000 0.078 0.000 0.804 266 A HN 1.407 nan 8.150 nan 0.000 0.453 267 Y N -1.168 119.171 120.300 0.066 0.000 3.721 267 Y HA -0.271 4.280 4.550 0.002 0.000 0.218 267 Y C 0.702 176.664 175.900 0.104 0.000 1.188 267 Y CA 0.657 58.808 58.100 0.085 0.000 1.607 267 Y CB -2.431 36.091 38.460 0.104 0.000 1.496 267 Y HN 0.584 nan 8.280 nan 0.000 0.626 268 N N -1.662 117.140 118.700 0.170 0.000 2.741 268 N HA -0.205 4.536 4.740 0.002 0.000 0.250 268 N C 0.287 175.947 175.510 0.250 0.000 1.115 268 N CA 1.140 54.290 53.050 0.167 0.000 0.724 268 N CB -1.118 37.444 38.487 0.125 0.000 1.090 268 N HN 0.565 nan 8.380 nan 0.000 0.558 269 S N -0.540 115.328 115.700 0.280 0.000 2.711 269 S HA 0.070 4.542 4.470 0.002 0.000 0.320 269 S C 1.691 176.535 174.600 0.407 0.000 1.240 269 S CA 0.557 58.969 58.200 0.354 0.000 1.034 269 S CB 0.541 63.943 63.200 0.337 0.000 0.741 269 S HN 0.448 nan 8.310 nan 0.000 0.496 270 A N 4.680 127.786 122.820 0.476 0.000 2.125 270 A HA -0.042 4.279 4.320 0.002 0.000 0.219 270 A C 1.448 179.257 177.584 0.374 0.000 1.156 270 A CA 1.212 53.470 52.037 0.369 0.000 0.671 270 A CB -0.655 18.434 19.000 0.149 0.000 0.794 270 A HN 0.974 nan 8.150 nan 0.000 0.459 271 W N 0.348 121.792 121.300 0.240 0.000 2.678 271 W HA 0.125 4.787 4.660 0.002 0.000 0.256 271 W C 0.968 177.489 176.519 0.003 0.000 1.280 271 W CA 0.041 57.464 57.345 0.131 0.000 1.345 271 W CB 0.113 29.766 29.460 0.322 0.000 1.118 271 W HN 0.027 nan 8.180 nan 0.000 0.629 272 R N 0.841 121.499 120.500 0.264 0.000 2.543 272 R HA 0.124 4.465 4.340 0.002 0.000 0.277 272 R C -0.148 176.139 176.300 -0.022 0.000 1.074 272 R CA -0.303 55.873 56.100 0.126 0.000 1.076 272 R CB 0.645 31.021 30.300 0.127 0.000 0.993 272 R HN -0.263 nan 8.270 nan 0.000 0.459 273 V N 6.276 126.138 119.914 -0.087 0.000 2.458 273 V HA -0.003 4.118 4.120 0.002 0.000 0.287 273 V C -1.752 174.205 176.094 -0.230 0.000 1.009 273 V CA -0.846 61.330 62.300 -0.207 0.000 1.091 273 V CB 0.176 31.898 31.823 -0.169 0.000 0.960 273 V HN 0.578 nan 8.190 nan 0.000 0.476 274 P HA 0.172 nan 4.420 nan 0.000 0.264 274 P C -0.156 176.998 177.300 -0.244 0.000 1.193 274 P CA 0.190 63.065 63.100 -0.375 0.000 0.763 274 P CB 0.427 31.635 31.700 -0.820 0.000 0.810 275 R N 2.141 122.552 120.500 -0.147 0.000 2.532 275 R HA 0.245 4.586 4.340 0.002 0.000 0.272 275 R C 1.620 177.867 176.300 -0.089 0.000 1.032 275 R CA -0.789 55.238 56.100 -0.122 0.000 1.089 275 R CB 0.874 31.109 30.300 -0.109 0.000 1.098 275 R HN 0.416 nan 8.270 nan 0.000 0.526 276 K N 1.644 121.998 120.400 -0.076 0.000 2.074 276 K HA -0.221 4.100 4.320 0.002 0.000 0.209 276 K C 1.748 178.379 176.600 0.052 0.000 1.048 276 K CA 1.926 58.200 56.287 -0.021 0.000 0.926 276 K CB -0.154 32.322 32.500 -0.039 0.000 0.713 276 K HN 0.700 nan 8.250 nan 0.000 0.444 277 A N 1.120 123.957 122.820 0.029 0.000 1.940 277 A HA -0.242 4.079 4.320 0.002 0.000 0.219 277 A C 2.004 179.577 177.584 -0.019 0.000 1.176 277 A CA 1.665 53.739 52.037 0.062 0.000 0.631 277 A CB -0.492 18.476 19.000 -0.053 0.000 0.814 277 A HN 0.516 nan 8.150 nan 0.000 0.446 278 Q N -0.845 118.935 119.800 -0.033 0.000 2.046 278 Q HA -0.147 4.194 4.340 0.002 0.000 0.200 278 Q C 2.407 178.494 176.000 0.146 0.000 0.975 278 Q CA 1.482 57.304 55.803 0.032 0.000 0.836 278 Q CB -0.173 28.605 28.738 0.067 0.000 0.896 278 Q HN 0.644 nan 8.270 nan 0.000 0.428 279 R N 0.574 121.145 120.500 0.119 0.000 2.075 279 R HA -0.121 4.221 4.340 0.002 0.000 0.232 279 R C 1.790 178.190 176.300 0.166 0.000 1.126 279 R CA 1.375 57.562 56.100 0.146 0.000 0.963 279 R CB -0.198 30.155 30.300 0.088 0.000 0.858 279 R HN 0.273 nan 8.270 nan 0.000 0.435 280 D N 0.113 120.615 120.400 0.169 0.000 2.123 280 D HA -0.248 4.393 4.640 0.002 0.000 0.196 280 D C 1.487 177.875 176.300 0.148 0.000 0.992 280 D CA 0.875 54.944 54.000 0.116 0.000 0.833 280 D CB -0.399 40.488 40.800 0.145 0.000 0.954 280 D HN 0.364 nan 8.370 nan 0.000 0.455 281 W N 1.348 122.636 121.300 -0.019 0.000 2.358 281 W HA -0.154 4.508 4.660 0.002 0.000 0.303 281 W C 2.044 178.639 176.519 0.125 0.000 1.208 281 W CA 0.736 58.079 57.345 -0.003 0.000 1.274 281 W CB -0.287 29.079 29.460 -0.155 0.000 1.138 281 W HN -0.048 nan 8.180 nan 0.000 0.515 282 I N 0.854 121.514 120.570 0.150 0.000 2.163 282 I HA -0.355 3.816 4.170 0.002 0.000 0.243 282 I C 2.126 178.251 176.117 0.014 0.000 1.085 282 I CA 1.830 63.156 61.300 0.043 0.000 1.347 282 I CB -0.724 37.338 38.000 0.104 0.000 1.044 282 I HN -0.149 nan 8.210 nan 0.000 0.408 283 D N 0.597 121.061 120.400 0.107 0.000 2.097 283 D HA -0.221 4.421 4.640 0.002 0.000 0.195 283 D C 1.909 178.314 176.300 0.175 0.000 0.989 283 D CA 1.268 55.362 54.000 0.156 0.000 0.827 283 D CB -0.515 40.433 40.800 0.247 0.000 0.966 283 D HN 0.238 nan 8.370 nan 0.000 0.456 284 F N 1.376 121.344 119.950 0.030 0.000 2.043 284 F HA -0.222 4.306 4.527 0.002 0.000 0.297 284 F C 2.141 177.848 175.800 -0.154 0.000 1.121 284 F CA 1.079 59.077 58.000 -0.003 0.000 1.199 284 F CB -0.579 38.374 39.000 -0.078 0.000 0.968 284 F HN -0.101 nan 8.300 nan 0.000 0.478 285 L N -0.267 120.614 121.223 -0.570 0.000 2.083 285 L HA -0.166 4.175 4.340 0.002 0.000 0.209 285 L C 2.745 179.470 176.870 -0.242 0.000 1.083 285 L CA 2.042 56.512 54.840 -0.616 0.000 0.752 285 L CB -1.307 40.364 42.059 -0.646 0.000 0.899 285 L HN 0.325 nan 8.230 nan 0.000 0.433 286 S N -1.000 114.611 115.700 -0.148 0.000 2.368 286 S HA -0.113 4.358 4.470 0.002 0.000 0.224 286 S C 2.037 176.619 174.600 -0.029 0.000 1.029 286 S CA 1.095 59.265 58.200 -0.050 0.000 0.988 286 S CB -0.617 62.575 63.200 -0.014 0.000 0.838 286 S HN 0.615 nan 8.310 nan 0.000 0.462 287 G N 0.432 109.217 108.800 -0.025 0.000 2.476 287 G HA2 -0.241 3.720 3.960 0.002 0.000 0.218 287 G HA3 -0.241 3.720 3.960 0.002 0.000 0.218 287 G C 1.279 176.166 174.900 -0.022 0.000 1.164 287 G CA 1.060 46.154 45.100 -0.010 0.000 0.768 287 G HN 0.570 nan 8.290 nan 0.000 0.560 288 F N 1.116 120.946 119.950 -0.200 0.000 2.113 288 F HA -0.025 4.503 4.527 0.002 0.000 0.297 288 F C 2.711 178.462 175.800 -0.081 0.000 1.103 288 F CA 1.353 59.253 58.000 -0.166 0.000 1.248 288 F CB -0.334 38.532 39.000 -0.224 0.000 0.999 288 F HN 0.002 nan 8.300 nan 0.000 0.475 289 V N 1.164 121.051 119.914 -0.046 0.000 2.287 289 V HA -0.307 3.814 4.120 0.002 0.000 0.248 289 V C 2.519 178.550 176.094 -0.105 0.000 1.053 289 V CA 2.336 64.643 62.300 0.011 0.000 1.027 289 V CB -0.717 31.224 31.823 0.196 0.000 0.646 289 V HN 0.286 nan 8.190 nan 0.000 0.447 290 R N -0.356 120.077 120.500 -0.113 0.000 2.092 290 R HA -0.170 4.171 4.340 0.002 0.000 0.231 290 R C 2.403 178.590 176.300 -0.189 0.000 1.119 290 R CA 1.489 57.503 56.100 -0.143 0.000 0.970 290 R CB -0.305 29.946 30.300 -0.082 0.000 0.864 290 R HN 0.634 nan 8.270 nan 0.000 0.440 291 E N 0.784 120.861 120.200 -0.205 0.000 2.110 291 E HA -0.175 4.176 4.350 0.002 0.000 0.193 291 E C 1.393 177.845 176.600 -0.246 0.000 0.988 291 E CA 1.044 57.316 56.400 -0.214 0.000 0.804 291 E CB 0.102 29.676 29.700 -0.209 0.000 0.745 291 E HN 0.341 nan 8.360 nan 0.000 0.458 292 N N 0.083 118.594 118.700 -0.316 0.000 2.333 292 N HA -0.090 4.651 4.740 0.002 0.000 0.178 292 N C 1.994 177.513 175.510 0.015 0.000 1.018 292 N CA 0.769 53.700 53.050 -0.199 0.000 0.882 292 N CB 0.157 38.284 38.487 -0.600 0.000 0.984 292 N HN 0.056 nan 8.380 nan 0.000 0.434 293 V N 2.099 121.934 119.914 -0.131 0.000 2.287 293 V HA -0.245 3.876 4.120 0.002 0.000 0.248 293 V C 2.535 178.390 176.094 -0.398 0.000 1.053 293 V CA 1.579 63.535 62.300 -0.572 0.000 1.027 293 V CB -0.476 30.793 31.823 -0.923 0.000 0.646 293 V HN 0.302 nan 8.190 nan 0.000 0.447 294 K N -0.248 119.983 120.400 -0.282 0.000 2.044 294 K HA -0.301 4.021 4.320 0.002 0.000 0.210 294 K C 2.330 178.839 176.600 -0.153 0.000 1.049 294 K CA 2.162 58.323 56.287 -0.211 0.000 0.927 294 K CB -0.220 32.177 32.500 -0.171 0.000 0.713 294 K HN 0.529 nan 8.250 nan 0.000 0.443 295 Q N 0.494 120.220 119.800 -0.123 0.000 2.061 295 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 295 Q C 2.196 178.229 176.000 0.054 0.000 0.984 295 Q CA 1.656 57.404 55.803 -0.091 0.000 0.846 295 Q CB -0.086 28.486 28.738 -0.277 0.000 0.902 295 Q HN 0.395 nan 8.270 nan 0.000 0.421 296 L N 0.072 121.365 121.223 0.117 0.000 2.013 296 L HA -0.243 4.098 4.340 0.002 0.000 0.212 296 L C 2.589 179.471 176.870 0.019 0.000 1.073 296 L CA 1.221 56.098 54.840 0.062 0.000 0.753 296 L CB -0.717 41.123 42.059 -0.365 0.000 0.890 296 L HN 0.323 nan 8.230 nan 0.000 0.432 297 A N -0.157 122.558 122.820 -0.176 0.000 1.877 297 A HA -0.246 4.075 4.320 0.002 0.000 0.216 297 A C 1.931 179.288 177.584 -0.378 0.000 1.186 297 A CA 2.060 53.910 52.037 -0.311 0.000 0.620 297 A CB -0.590 18.212 19.000 -0.331 0.000 0.822 297 A HN 0.368 nan 8.150 nan 0.000 0.443 298 D N -0.513 119.800 120.400 -0.145 0.000 2.149 298 D HA -0.148 4.493 4.640 0.002 0.000 0.198 298 D C 1.995 178.319 176.300 0.040 0.000 0.990 298 D CA 1.458 55.446 54.000 -0.020 0.000 0.839 298 D CB -0.326 40.469 40.800 -0.007 0.000 0.948 298 D HN 0.510 nan 8.370 nan 0.000 0.460 299 M N 0.089 119.747 119.600 0.096 0.000 2.132 299 M HA -0.108 4.374 4.480 0.002 0.000 0.263 299 M C 2.357 178.737 176.300 0.133 0.000 1.065 299 M CA 0.844 56.229 55.300 0.142 0.000 1.122 299 M CB -0.001 32.766 32.600 0.277 0.000 1.365 299 M HN -0.146 nan 8.290 nan 0.000 0.411 300 S N -0.460 115.375 115.700 0.225 0.000 2.353 300 S HA -0.208 4.263 4.470 0.002 0.000 0.222 300 S C 1.631 176.325 174.600 0.157 0.000 1.035 300 S CA 1.503 59.828 58.200 0.208 0.000 1.025 300 S CB -0.728 62.626 63.200 0.256 0.000 0.902 300 S HN 0.564 nan 8.310 nan 0.000 0.440 301 H N 0.667 119.809 119.070 0.121 0.000 2.387 301 H HA 0.016 4.573 4.556 0.002 0.000 0.299 301 H C 2.397 177.752 175.328 0.045 0.000 1.090 301 H CA 0.845 56.937 56.048 0.073 0.000 1.332 301 H CB -0.136 29.659 29.762 0.055 0.000 1.386 301 H HN 0.444 nan 8.280 nan 0.000 0.516 302 A N 1.014 123.929 122.820 0.158 0.000 2.015 302 A HA -0.009 4.313 4.320 0.002 0.000 0.219 302 A C 2.365 179.976 177.584 0.044 0.000 1.163 302 A CA 1.135 53.219 52.037 0.079 0.000 0.646 302 A CB -0.541 18.489 19.000 0.049 0.000 0.806 302 A HN 0.453 nan 8.150 nan 0.000 0.448 303 A N -1.606 121.236 122.820 0.037 0.000 2.235 303 A HA 0.400 4.721 4.320 0.002 0.000 0.208 303 A C 1.711 179.306 177.584 0.017 0.000 1.172 303 A CA 1.169 53.204 52.037 -0.003 0.000 0.786 303 A CB -0.968 18.002 19.000 -0.050 0.000 0.804 303 A HN 1.865 nan 8.150 nan 0.000 0.479 304 G N -0.748 108.087 108.800 0.057 0.000 2.137 304 G HA2 -0.226 3.735 3.960 0.002 0.000 0.237 304 G HA3 -0.226 3.735 3.960 0.002 0.000 0.237 304 G C 0.003 174.951 174.900 0.079 0.000 1.002 304 G CA 0.514 45.648 45.100 0.057 0.000 0.702 304 G HN 0.606 nan 8.290 nan 0.000 0.515 305 K N -0.035 120.438 120.400 0.122 0.000 2.281 305 K HA 0.579 4.900 4.320 0.002 0.000 0.242 305 K C 0.082 176.815 176.600 0.223 0.000 0.971 305 K CA -0.894 55.476 56.287 0.139 0.000 0.834 305 K CB 1.895 34.470 32.500 0.125 0.000 1.181 305 K HN 0.302 nan 8.250 nan 0.000 0.435 306 E N 0.374 120.687 120.200 0.189 0.000 2.314 306 E HA 0.431 4.782 4.350 0.002 0.000 0.262 306 E C -0.868 175.846 176.600 0.190 0.000 1.093 306 E CA -0.807 55.731 56.400 0.231 0.000 0.908 306 E CB 1.413 31.227 29.700 0.191 0.000 1.091 306 E HN 0.547 nan 8.360 nan 0.000 0.425 307 A N 2.365 125.306 122.820 0.201 0.000 2.319 307 A HA 0.502 4.823 4.320 0.002 0.000 0.310 307 A C -0.765 176.915 177.584 0.159 0.000 1.152 307 A CA -0.586 51.594 52.037 0.240 0.000 0.783 307 A CB 0.627 19.768 19.000 0.236 0.000 1.184 307 A HN 0.618 nan 8.150 nan 0.000 0.474 308 M N 4.529 124.211 119.600 0.137 0.000 2.321 308 M HA 0.650 5.132 4.480 0.002 0.000 0.315 308 M C -1.156 175.204 176.300 0.100 0.000 1.052 308 M CA -0.546 54.768 55.300 0.024 0.000 0.936 308 M CB 1.525 34.051 32.600 -0.123 0.000 1.639 308 M HN 0.805 nan 8.290 nan 0.000 0.433 309 M N 4.986 124.636 119.600 0.083 0.000 2.238 309 M HA 0.393 4.874 4.480 0.002 0.000 0.350 309 M C -1.738 174.599 176.300 0.063 0.000 1.138 309 M CA -0.636 54.688 55.300 0.040 0.000 1.040 309 M CB 1.158 33.870 32.600 0.187 0.000 1.639 309 M HN 0.827 nan 8.290 nan 0.000 0.451 310 F N 5.962 125.838 119.950 -0.122 0.000 2.467 310 F HA 0.289 4.817 4.527 0.002 0.000 0.362 310 F C -0.740 175.004 175.800 -0.094 0.000 1.090 310 F CA -0.674 57.268 58.000 -0.096 0.000 1.202 310 F CB 0.616 39.558 39.000 -0.096 0.000 1.113 310 F HN 0.573 nan 8.300 nan 0.000 0.541 311 L N 7.298 128.051 121.223 -0.784 0.000 2.382 311 L HA 0.543 4.884 4.340 0.002 0.000 0.259 311 L C 0.078 176.127 176.870 -1.369 0.000 1.291 311 L CA 0.548 54.872 54.840 -0.860 0.000 1.176 311 L CB -0.981 40.756 42.059 -0.537 0.000 1.373 311 L HN 0.806 nan 8.230 nan 0.000 0.426 312 G N 1.226 109.266 108.800 -1.267 0.000 2.320 312 G HA2 0.323 4.284 3.960 0.002 0.000 0.297 312 G HA3 0.323 4.284 3.960 0.002 0.000 0.297 312 G C -0.820 174.115 174.900 0.057 0.000 1.344 312 G CA -0.165 44.472 45.100 -0.771 0.000 0.851 312 G HN 0.272 nan 8.290 nan 0.000 0.567 313 D N -0.715 120.018 120.400 0.556 0.000 4.072 313 D HA -0.208 4.433 4.640 0.002 0.000 0.146 313 D C 1.157 177.691 176.300 0.390 0.000 0.777 313 D CA 2.092 56.363 54.000 0.451 0.000 1.099 313 D CB -0.647 40.357 40.800 0.340 0.000 0.497 313 D HN 0.616 nan 8.370 nan 0.000 0.483 314 Q N 1.041 120.986 119.800 0.242 0.000 3.170 314 Q HA 0.167 4.508 4.340 0.002 0.000 0.346 314 Q C 0.662 176.816 176.000 0.257 0.000 1.333 314 Q CA -0.168 55.745 55.803 0.183 0.000 0.958 314 Q CB -0.505 28.269 28.738 0.061 0.000 1.600 314 Q HN 0.558 nan 8.270 nan 0.000 0.482 315 W N -0.641 120.684 121.300 0.042 0.000 3.177 315 W HA 0.275 4.936 4.660 0.002 0.000 0.309 315 W C -0.711 175.835 176.519 0.044 0.000 1.224 315 W CA -0.503 56.855 57.345 0.022 0.000 1.718 315 W CB 0.105 29.490 29.460 -0.125 0.000 1.078 315 W HN 0.016 nan 8.180 nan 0.000 0.618 316 I N 2.710 123.042 120.570 -0.397 0.000 2.752 316 I HA 0.134 4.305 4.170 0.002 0.000 0.289 316 I C 1.783 177.814 176.117 -0.142 0.000 1.197 316 I CA 1.719 62.753 61.300 -0.443 0.000 1.432 316 I CB -0.555 37.343 38.000 -0.169 0.000 1.359 316 I HN 0.459 nan 8.210 nan 0.000 0.571 317 G N 4.422 113.098 108.800 -0.208 0.000 2.199 317 G HA2 -0.338 3.623 3.960 0.002 0.000 0.254 317 G HA3 -0.338 3.623 3.960 0.002 0.000 0.254 317 G C 0.916 175.806 174.900 -0.017 0.000 0.982 317 G CA 0.791 45.843 45.100 -0.080 0.000 0.632 317 G HN 0.725 nan 8.290 nan 0.000 0.529 318 T N -1.670 112.885 114.554 0.001 0.000 2.978 318 T HA 0.278 4.630 4.350 0.002 0.000 0.262 318 T C 0.851 175.649 174.700 0.164 0.000 1.063 318 T CA 1.172 63.359 62.100 0.145 0.000 1.140 318 T CB -0.058 68.999 68.868 0.315 0.000 0.886 318 T HN 0.701 nan 8.240 nan 0.000 0.470 319 E N 1.793 121.990 120.200 -0.005 0.000 2.273 319 E HA -0.118 4.234 4.350 0.002 0.000 0.177 319 E C -1.762 174.747 176.600 -0.152 0.000 1.511 319 E CA 0.657 57.033 56.400 -0.040 0.000 0.675 319 E CB -1.093 28.606 29.700 -0.002 0.000 1.094 319 E HN 0.475 nan 8.360 nan 0.000 0.348 320 P HA -0.164 nan 4.420 nan 0.000 0.221 320 P C 0.977 177.721 177.300 -0.928 0.000 1.145 320 P CA 1.329 63.567 63.100 -1.436 0.000 0.795 320 P CB 0.006 31.048 31.700 -1.096 0.000 0.775 321 Y N -0.546 119.591 120.300 -0.272 0.000 2.457 321 Y HA 0.219 4.770 4.550 0.002 0.000 0.263 321 Y C 1.336 177.204 175.900 -0.053 0.000 1.164 321 Y CA -0.085 57.937 58.100 -0.130 0.000 1.274 321 Y CB 0.065 38.469 38.460 -0.094 0.000 1.097 321 Y HN -0.177 nan 8.280 nan 0.000 0.523 322 K N 1.144 121.586 120.400 0.070 0.000 2.185 322 K HA 0.078 4.399 4.320 0.002 0.000 0.271 322 K C -0.531 176.136 176.600 0.111 0.000 1.013 322 K CA -0.673 55.669 56.287 0.092 0.000 0.943 322 K CB 0.492 33.041 32.500 0.082 0.000 0.998 322 K HN -0.020 nan 8.250 nan 0.000 0.468 323 D N 0.455 120.915 120.400 0.101 0.000 2.478 323 D HA 0.014 4.655 4.640 0.002 0.000 0.234 323 D C 1.258 177.621 176.300 0.105 0.000 1.154 323 D CA 1.447 55.506 54.000 0.098 0.000 0.874 323 D CB 0.809 41.653 40.800 0.073 0.000 1.198 323 D HN 0.821 nan 8.370 nan 0.000 0.455 324 G N 1.311 110.170 108.800 0.099 0.000 2.234 324 G HA2 -0.361 3.600 3.960 0.002 0.000 0.235 324 G HA3 -0.361 3.600 3.960 0.002 0.000 0.235 324 G C 0.944 175.896 174.900 0.087 0.000 0.997 324 G CA 0.231 45.375 45.100 0.074 0.000 0.623 324 G HN 0.473 nan 8.290 nan 0.000 0.514 325 F N 3.119 123.063 119.950 -0.011 0.000 2.202 325 F HA -0.069 4.460 4.527 0.002 0.000 0.301 325 F C 2.440 178.226 175.800 -0.023 0.000 1.082 325 F CA 2.448 60.433 58.000 -0.025 0.000 1.313 325 F CB 0.023 39.002 39.000 -0.034 0.000 1.024 325 F HN 0.368 nan 8.300 nan 0.000 0.495 326 D N -0.230 120.192 120.400 0.037 0.000 2.264 326 D HA -0.215 4.426 4.640 0.002 0.000 0.208 326 D C 1.478 177.725 176.300 -0.088 0.000 0.966 326 D CA 1.334 55.317 54.000 -0.027 0.000 0.864 326 D CB -0.956 39.870 40.800 0.043 0.000 0.933 326 D HN 0.502 nan 8.370 nan 0.000 0.499 327 E N 0.166 120.315 120.200 -0.086 0.000 2.427 327 E HA 0.041 4.392 4.350 0.002 0.000 0.196 327 E C 2.184 178.708 176.600 -0.126 0.000 1.028 327 E CA -0.024 56.328 56.400 -0.079 0.000 0.864 327 E CB -0.024 29.644 29.700 -0.052 0.000 0.813 327 E HN 0.355 nan 8.360 nan 0.000 0.514 328 L N -0.049 121.038 121.223 -0.226 0.000 2.201 328 L HA -0.042 4.299 4.340 0.002 0.000 0.212 328 L C 1.757 178.523 176.870 -0.175 0.000 1.105 328 L CA 0.853 55.532 54.840 -0.268 0.000 0.775 328 L CB -0.570 41.209 42.059 -0.466 0.000 0.913 328 L HN 0.328 nan 8.230 nan 0.000 0.440 329 G N 0.434 109.162 108.800 -0.119 0.000 2.155 329 G HA2 -0.303 3.658 3.960 0.002 0.000 0.257 329 G HA3 -0.303 3.658 3.960 0.002 0.000 0.257 329 G C 0.302 175.258 174.900 0.093 0.000 0.983 329 G CA -0.079 45.040 45.100 0.031 0.000 0.676 329 G HN 0.249 nan 8.290 nan 0.000 0.528 330 L N 0.268 121.443 121.223 -0.079 0.000 2.559 330 L HA 0.160 4.501 4.340 0.002 0.000 0.282 330 L C 1.472 178.350 176.870 0.014 0.000 1.232 330 L CA 0.496 55.312 54.840 -0.041 0.000 0.885 330 L CB 0.381 42.359 42.059 -0.134 0.000 1.131 330 L HN 0.199 nan 8.230 nan 0.000 0.498 331 D N 1.326 121.762 120.400 0.060 0.000 2.249 331 D HA 0.183 4.824 4.640 0.002 0.000 0.205 331 D C 0.299 176.434 176.300 -0.275 0.000 0.962 331 D CA 0.845 54.849 54.000 0.008 0.000 0.860 331 D CB 0.295 41.173 40.800 0.129 0.000 0.955 331 D HN 0.614 nan 8.370 nan 0.000 0.505 332 A N -0.201 122.436 122.820 -0.306 0.000 2.604 332 A HA 0.578 4.900 4.320 0.002 0.000 0.295 332 A C -1.543 175.938 177.584 -0.172 0.000 1.067 332 A CA -0.679 51.054 52.037 -0.506 0.000 0.683 332 A CB 1.365 19.747 19.000 -1.029 0.000 1.281 332 A HN -0.073 nan 8.150 nan 0.000 0.407 333 V N 0.975 120.824 119.914 -0.107 0.000 2.555 333 V HA 0.717 4.838 4.120 0.002 0.000 0.302 333 V C -0.396 175.698 176.094 -0.000 0.000 1.038 333 V CA -0.634 61.661 62.300 -0.008 0.000 0.887 333 V CB 1.578 33.416 31.823 0.025 0.000 0.991 333 V HN 1.017 nan 8.190 nan 0.000 0.434 334 V N 3.662 123.603 119.914 0.045 0.000 2.680 334 V HA 1.023 5.144 4.120 0.002 0.000 0.309 334 V C 0.174 176.332 176.094 0.107 0.000 1.052 334 V CA 0.387 62.749 62.300 0.104 0.000 0.908 334 V CB 1.814 33.736 31.823 0.165 0.000 1.001 334 V HN 1.060 nan 8.190 nan 0.000 0.431 335 G N 2.888 111.727 108.800 0.065 0.000 2.695 335 G HA2 0.553 4.514 3.960 0.002 0.000 0.290 335 G HA3 0.553 4.514 3.960 0.002 0.000 0.290 335 G C -1.052 173.868 174.900 0.034 0.000 1.410 335 G CA -0.551 44.538 45.100 -0.017 0.000 0.844 335 G HN 0.870 nan 8.290 nan 0.000 0.478 336 S N 0.698 116.410 115.700 0.021 0.000 2.474 336 S HA 0.315 4.786 4.470 0.002 0.000 0.276 336 S C 0.276 174.826 174.600 -0.084 0.000 1.227 336 S CA -0.513 57.681 58.200 -0.011 0.000 1.050 336 S CB 1.002 64.210 63.200 0.013 0.000 0.939 336 S HN 0.389 nan 8.310 nan 0.000 0.490 337 I N 3.989 124.424 120.570 -0.225 0.000 2.329 337 I HA 0.166 4.337 4.170 0.002 0.000 0.295 337 I C 1.341 177.356 176.117 -0.170 0.000 1.109 337 I CA 0.086 61.193 61.300 -0.321 0.000 1.297 337 I CB -0.247 37.273 38.000 -0.799 0.000 1.433 337 I HN 0.924 nan 8.210 nan 0.000 0.509 338 G N 5.267 113.993 108.800 -0.122 0.000 2.762 338 G HA2 0.164 4.125 3.960 0.002 0.000 0.209 338 G HA3 0.164 4.125 3.960 0.002 0.000 0.209 338 G C 0.056 174.904 174.900 -0.086 0.000 1.134 338 G CA 0.280 45.323 45.100 -0.094 0.000 0.781 338 G HN 0.639 nan 8.290 nan 0.000 0.528 339 D N -3.581 116.749 120.400 -0.117 0.000 2.893 339 D HA 0.232 4.873 4.640 0.002 0.000 0.346 339 D C 1.241 177.436 176.300 -0.175 0.000 1.402 339 D CA 0.109 54.041 54.000 -0.114 0.000 0.815 339 D CB 0.129 40.883 40.800 -0.076 0.000 1.403 339 D HN 0.011 nan 8.370 nan 0.000 0.484 340 G N -0.642 108.022 108.800 -0.227 0.000 2.421 340 G HA2 -0.213 3.748 3.960 0.002 0.000 0.216 340 G HA3 -0.213 3.748 3.960 0.002 0.000 0.216 340 G C 1.167 175.851 174.900 -0.359 0.000 1.171 340 G CA 1.942 46.867 45.100 -0.292 0.000 0.775 340 G HN 0.537 nan 8.290 nan 0.000 0.543 341 T N 1.223 115.580 114.554 -0.328 0.000 2.684 341 T HA -0.182 4.169 4.350 0.002 0.000 0.267 341 T C 2.794 177.357 174.700 -0.228 0.000 1.036 341 T CA 2.360 64.283 62.100 -0.295 0.000 1.148 341 T CB -0.762 67.941 68.868 -0.276 0.000 0.863 341 T HN 0.582 nan 8.240 nan 0.000 0.436 342 T N 0.213 114.655 114.554 -0.187 0.000 2.915 342 T HA -0.089 4.263 4.350 0.002 0.000 0.269 342 T C 2.037 176.644 174.700 -0.154 0.000 1.071 342 T CA 1.476 63.476 62.100 -0.167 0.000 1.132 342 T CB -0.914 67.797 68.868 -0.261 0.000 0.878 342 T HN 0.294 nan 8.240 nan 0.000 0.479 343 T N 1.772 116.199 114.554 -0.212 0.000 2.777 343 T HA -0.013 4.338 4.350 0.002 0.000 0.266 343 T C 2.191 176.760 174.700 -0.219 0.000 1.040 343 T CA 0.799 62.780 62.100 -0.199 0.000 1.141 343 T CB -0.145 68.610 68.868 -0.188 0.000 0.868 343 T HN 0.277 nan 8.240 nan 0.000 0.444 344 R N 0.816 121.069 120.500 -0.411 0.000 2.090 344 R HA 0.183 4.524 4.340 0.002 0.000 0.228 344 R C 2.445 178.582 176.300 -0.272 0.000 1.110 344 R CA 0.783 56.510 56.100 -0.621 0.000 0.973 344 R CB -0.761 28.498 30.300 -1.735 0.000 0.869 344 R HN 0.471 nan 8.270 nan 0.000 0.440 345 M N 0.203 119.749 119.600 -0.090 0.000 2.088 345 M HA -0.226 4.255 4.480 0.002 0.000 0.256 345 M C 2.252 178.672 176.300 0.199 0.000 1.071 345 M CA 1.917 57.333 55.300 0.194 0.000 1.097 345 M CB -0.546 32.168 32.600 0.189 0.000 1.315 345 M HN 0.024 nan 8.290 nan 0.000 0.406 346 I N -0.162 120.438 120.570 0.049 0.000 2.163 346 I HA -0.219 3.952 4.170 0.002 0.000 0.240 346 I C 2.726 178.871 176.117 0.047 0.000 1.081 346 I CA 1.352 62.662 61.300 0.017 0.000 1.353 346 I CB -0.715 37.274 38.000 -0.018 0.000 1.054 346 I HN 0.250 nan 8.210 nan 0.000 0.407 347 A N 0.315 123.161 122.820 0.044 0.000 1.972 347 A HA -0.207 4.114 4.320 0.002 0.000 0.219 347 A C 1.754 179.413 177.584 0.124 0.000 1.169 347 A CA 2.022 54.105 52.037 0.076 0.000 0.635 347 A CB -0.569 18.460 19.000 0.047 0.000 0.810 347 A HN 0.365 nan 8.150 nan 0.000 0.446 348 D N -0.482 120.040 120.400 0.204 0.000 2.355 348 D HA 0.127 4.768 4.640 0.002 0.000 0.218 348 D C 0.358 176.821 176.300 0.272 0.000 1.004 348 D CA 0.046 54.239 54.000 0.321 0.000 0.880 348 D CB -0.230 40.882 40.800 0.520 0.000 0.911 348 D HN 0.460 nan 8.370 nan 0.000 0.528 349 I N 3.202 123.786 120.570 0.023 0.000 2.742 349 I HA 0.007 4.178 4.170 0.002 0.000 0.287 349 I C -1.821 174.247 176.117 -0.082 0.000 1.186 349 I CA -0.952 60.148 61.300 -0.335 0.000 1.417 349 I CB 0.306 38.074 38.000 -0.386 0.000 1.377 349 I HN -0.118 nan 8.210 nan 0.000 0.556 350 P HA 0.378 nan 4.420 nan 0.000 0.287 350 P C 0.295 177.680 177.300 0.143 0.000 1.279 350 P CA -0.351 62.788 63.100 0.065 0.000 0.867 350 P CB 1.826 33.576 31.700 0.085 0.000 1.127 351 G N -0.601 108.288 108.800 0.148 0.000 2.168 351 G HA2 -0.059 3.902 3.960 0.002 0.000 0.197 351 G HA3 -0.059 3.902 3.960 0.002 0.000 0.197 351 G C -0.239 174.726 174.900 0.109 0.000 0.997 351 G CA 0.039 45.238 45.100 0.165 0.000 0.658 351 G HN 0.752 nan 8.290 nan 0.000 0.513 352 V N -3.037 116.942 119.914 0.108 0.000 3.040 352 V HA 0.826 4.947 4.120 0.002 0.000 0.312 352 V C 1.183 177.319 176.094 0.070 0.000 1.115 352 V CA -0.370 61.965 62.300 0.058 0.000 0.998 352 V CB 1.622 33.470 31.823 0.042 0.000 1.042 352 V HN 0.031 nan 8.190 nan 0.000 0.433 353 K N 0.900 121.343 120.400 0.072 0.000 2.062 353 K HA 0.174 4.495 4.320 0.002 0.000 0.205 353 K C 0.087 176.857 176.600 0.283 0.000 1.051 353 K CA 2.118 58.513 56.287 0.181 0.000 0.941 353 K CB -0.118 32.544 32.500 0.270 0.000 0.719 353 K HN 0.854 nan 8.250 nan 0.000 0.440 354 Y N -2.516 117.843 120.300 0.098 0.000 2.638 354 Y HA 0.507 5.058 4.550 0.002 0.000 0.335 354 Y C -0.914 175.056 175.900 0.117 0.000 1.155 354 Y CA -1.520 56.647 58.100 0.111 0.000 1.046 354 Y CB 1.082 39.607 38.460 0.108 0.000 1.303 354 Y HN -0.135 nan 8.280 nan 0.000 0.460 355 T N -1.166 113.532 114.554 0.240 0.000 2.924 355 T HA 0.683 5.034 4.350 0.002 0.000 0.291 355 T C -1.262 173.592 174.700 0.257 0.000 1.045 355 T CA -0.799 61.391 62.100 0.150 0.000 1.015 355 T CB 2.484 71.433 68.868 0.136 0.000 1.103 355 T HN 0.891 nan 8.240 nan 0.000 0.496 356 E N -0.096 120.213 120.200 0.182 0.000 2.308 356 E HA 0.550 4.901 4.350 0.002 0.000 0.275 356 E C -0.582 176.091 176.600 0.122 0.000 0.890 356 E CA -0.966 55.554 56.400 0.200 0.000 0.754 356 E CB 1.631 31.472 29.700 0.235 0.000 1.207 356 E HN 1.005 nan 8.360 nan 0.000 0.426 357 G N 3.153 112.031 108.800 0.129 0.000 2.338 357 G HA2 0.267 4.228 3.960 0.002 0.000 0.298 357 G HA3 0.267 4.228 3.960 0.002 0.000 0.298 357 G C -0.577 174.299 174.900 -0.039 0.000 1.140 357 G CA -0.492 44.588 45.100 -0.033 0.000 0.860 357 G HN 0.273 nan 8.290 nan 0.000 0.470 358 R N 2.904 123.325 120.500 -0.131 0.000 2.215 358 R HA 0.289 4.630 4.340 0.002 0.000 0.336 358 R C -0.826 175.344 176.300 -0.217 0.000 0.996 358 R CA -0.490 55.540 56.100 -0.117 0.000 0.847 358 R CB 0.249 30.523 30.300 -0.043 0.000 1.127 358 R HN 0.416 nan 8.270 nan 0.000 0.465 359 F N 2.989 122.712 119.950 -0.377 0.000 2.375 359 F HA 0.337 4.865 4.527 0.002 0.000 0.313 359 F C 0.934 176.722 175.800 -0.020 0.000 1.176 359 F CA -0.404 57.434 58.000 -0.269 0.000 1.142 359 F CB 0.769 39.470 39.000 -0.497 0.000 1.275 359 F HN 0.160 nan 8.300 nan 0.000 0.544 360 L N 2.396 123.836 121.223 0.362 0.000 2.334 360 L HA 0.491 4.832 4.340 0.002 0.000 0.270 360 L C -2.302 174.945 176.870 0.628 0.000 1.018 360 L CA -1.987 53.104 54.840 0.418 0.000 0.811 360 L CB 1.884 44.106 42.059 0.271 0.000 1.271 360 L HN 0.304 nan 8.230 nan 0.000 0.443 361 P HA 0.078 nan 4.420 nan 0.000 0.282 361 P C -1.287 176.351 177.300 0.563 0.000 1.259 361 P CA -0.465 62.917 63.100 0.470 0.000 0.826 361 P CB 0.737 32.630 31.700 0.323 0.000 1.064 362 Y N 1.616 122.099 120.300 0.306 0.000 2.511 362 Y HA 0.119 4.670 4.550 0.002 0.000 0.332 362 Y C 0.148 176.322 175.900 0.457 0.000 1.177 362 Y CA -0.056 58.174 58.100 0.216 0.000 1.422 362 Y CB -0.141 38.392 38.460 0.122 0.000 1.271 362 Y HN 0.117 nan 8.280 nan 0.000 0.550 363 F N 8.117 127.888 119.950 -0.298 0.000 2.662 363 F HA 0.179 4.707 4.527 0.002 0.000 0.343 363 F C -0.490 175.268 175.800 -0.070 0.000 1.302 363 F CA -0.457 57.302 58.000 -0.402 0.000 1.142 363 F CB -1.660 37.036 39.000 -0.507 0.000 1.524 363 F HN 0.289 nan 8.300 nan 0.000 0.668 364 F N 3.221 123.322 119.950 0.251 0.000 2.613 364 F HA 0.463 4.991 4.527 0.002 0.000 0.310 364 F C -2.035 173.964 175.800 0.331 0.000 1.085 364 F CA -2.588 55.620 58.000 0.346 0.000 0.945 364 F CB 2.333 41.625 39.000 0.487 0.000 1.298 364 F HN -0.095 nan 8.300 nan 0.000 0.455 365 P HA -0.076 nan 4.420 nan 0.000 0.231 365 P C 0.727 178.201 177.300 0.289 0.000 1.158 365 P CA 1.100 64.275 63.100 0.126 0.000 0.763 365 P CB -0.009 31.645 31.700 -0.077 0.000 0.805 366 D N -1.212 119.436 120.400 0.412 0.000 2.312 366 D HA -0.095 4.546 4.640 0.002 0.000 0.211 366 D C 1.322 177.845 176.300 0.373 0.000 0.964 366 D CA 1.694 55.893 54.000 0.332 0.000 0.877 366 D CB -0.760 40.241 40.800 0.335 0.000 0.924 366 D HN 0.246 nan 8.370 nan 0.000 0.515 367 T N -3.641 111.132 114.554 0.365 0.000 2.980 367 T HA 0.199 4.550 4.350 0.002 0.000 0.252 367 T C 0.393 174.919 174.700 -0.289 0.000 0.962 367 T CA -0.540 61.629 62.100 0.116 0.000 0.932 367 T CB -0.780 68.085 68.868 -0.004 0.000 1.188 367 T HN -0.036 nan 8.240 nan 0.000 0.500 368 F N 3.939 123.801 119.950 -0.147 0.000 2.541 368 F HA 0.488 5.017 4.527 0.003 0.000 0.351 368 F C -0.300 175.508 175.800 0.013 0.000 1.209 368 F CA -1.366 56.342 58.000 -0.486 0.000 1.277 368 F CB -0.197 38.503 39.000 -0.501 0.000 1.632 368 F HN 0.362 nan 8.300 nan 0.000 0.619 369 Y N -1.619 118.750 120.300 0.115 0.000 2.576 369 Y HA 0.517 5.068 4.550 0.001 0.000 0.346 369 Y C -0.312 175.780 175.900 0.320 0.000 1.018 369 Y CA -2.032 56.213 58.100 0.241 0.000 1.050 369 Y CB 0.604 39.131 38.460 0.111 0.000 1.280 369 Y HN 0.138 nan 8.280 nan 0.000 0.474 370 E N 0.860 121.277 120.200 0.362 0.000 2.415 370 E HA 0.338 4.689 4.350 0.002 0.000 0.263 370 E C 0.818 177.501 176.600 0.139 0.000 0.995 370 E CA 1.496 58.005 56.400 0.182 0.000 0.915 370 E CB 0.155 29.921 29.700 0.111 0.000 0.951 370 E HN 1.088 nan 8.360 nan 0.000 0.449 371 G N 3.598 112.424 108.800 0.044 0.000 2.258 371 G HA2 -0.281 3.680 3.960 0.002 0.000 0.233 371 G HA3 -0.281 3.680 3.960 0.002 0.000 0.233 371 G C 0.286 175.124 174.900 -0.102 0.000 1.006 371 G CA 0.173 45.281 45.100 0.014 0.000 0.620 371 G HN 0.596 nan 8.290 nan 0.000 0.511 372 N N 0.991 119.480 118.700 -0.351 0.000 2.508 372 N HA 0.511 5.252 4.740 0.002 0.000 0.285 372 N C -1.328 174.036 175.510 -0.242 0.000 1.144 372 N CA -0.335 52.431 53.050 -0.473 0.000 0.978 372 N CB 1.396 39.217 38.487 -1.110 0.000 1.180 372 N HN 0.095 nan 8.380 nan 0.000 0.484 373 D N 2.158 122.436 120.400 -0.203 0.000 2.432 373 D HA 0.389 5.030 4.640 0.002 0.000 0.265 373 D C -2.058 174.133 176.300 -0.182 0.000 1.160 373 D CA -2.025 51.907 54.000 -0.112 0.000 0.911 373 D CB 1.147 41.935 40.800 -0.019 0.000 1.052 373 D HN 0.348 nan 8.370 nan 0.000 0.508 374 P HA -0.081 nan 4.420 nan 0.000 0.226 374 P C 1.333 178.662 177.300 0.048 0.000 1.153 374 P CA 0.589 63.399 63.100 -0.484 0.000 0.777 374 P CB 0.193 30.992 31.700 -1.502 0.000 0.794 375 S N -0.785 115.050 115.700 0.225 0.000 2.402 375 S HA -0.137 4.334 4.470 0.002 0.000 0.229 375 S C 1.894 176.604 174.600 0.183 0.000 1.021 375 S CA 0.828 59.214 58.200 0.311 0.000 0.974 375 S CB -1.520 61.800 63.200 0.200 0.000 0.800 375 S HN 0.064 nan 8.310 nan 0.000 0.484 376 I N 2.174 122.811 120.570 0.111 0.000 2.142 376 I HA -0.193 3.978 4.170 0.002 0.000 0.240 376 I C 2.954 179.145 176.117 0.125 0.000 1.078 376 I CA 2.026 63.382 61.300 0.094 0.000 1.343 376 I CB -0.409 37.622 38.000 0.052 0.000 1.046 376 I HN 0.449 nan 8.210 nan 0.000 0.405 377 E N 1.021 121.291 120.200 0.117 0.000 2.110 377 E HA -0.189 4.162 4.350 0.002 0.000 0.193 377 E C 2.293 179.048 176.600 0.258 0.000 0.988 377 E CA 1.324 57.815 56.400 0.153 0.000 0.804 377 E CB -0.269 29.495 29.700 0.107 0.000 0.745 377 E HN 0.497 nan 8.360 nan 0.000 0.458 378 G N 1.519 110.528 108.800 0.348 0.000 2.440 378 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 378 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 378 G C 1.568 176.692 174.900 0.372 0.000 1.154 378 G CA 0.624 46.000 45.100 0.461 0.000 0.767 378 G HN 0.283 nan 8.290 nan 0.000 0.552 379 L N 0.029 121.424 121.223 0.286 0.000 2.179 379 L HA -0.003 4.338 4.340 0.002 0.000 0.208 379 L C 2.516 179.568 176.870 0.304 0.000 1.096 379 L CA 1.244 56.268 54.840 0.306 0.000 0.779 379 L CB -0.282 41.903 42.059 0.210 0.000 0.922 379 L HN 0.198 nan 8.230 nan 0.000 0.443 380 D N 0.314 120.852 120.400 0.229 0.000 2.104 380 D HA -0.273 4.368 4.640 0.002 0.000 0.194 380 D C 1.831 178.252 176.300 0.202 0.000 0.994 380 D CA 1.430 55.538 54.000 0.180 0.000 0.830 380 D CB -0.139 40.749 40.800 0.146 0.000 0.959 380 D HN 0.280 nan 8.370 nan 0.000 0.452 381 N N -0.331 118.530 118.700 0.269 0.000 2.120 381 N HA -0.166 4.575 4.740 0.002 0.000 0.188 381 N C 2.123 177.883 175.510 0.416 0.000 1.024 381 N CA 0.955 54.186 53.050 0.302 0.000 0.852 381 N CB -0.460 38.248 38.487 0.369 0.000 1.003 381 N HN 0.454 nan 8.380 nan 0.000 0.424 382 W N 2.146 123.622 121.300 0.293 0.000 2.335 382 W HA -0.174 4.487 4.660 0.001 0.000 0.311 382 W C 2.065 178.714 176.519 0.216 0.000 1.213 382 W CA 0.827 58.341 57.345 0.282 0.000 1.274 382 W CB -0.209 29.366 29.460 0.192 0.000 1.148 382 W HN 0.098 nan 8.180 nan 0.000 0.498 383 R N 0.403 120.888 120.500 -0.025 0.000 2.094 383 R HA -0.198 4.143 4.340 0.002 0.000 0.239 383 R C 2.362 178.555 176.300 -0.178 0.000 1.137 383 R CA 2.042 58.033 56.100 -0.181 0.000 0.943 383 R CB -0.569 29.728 30.300 -0.004 0.000 0.850 383 R HN 0.178 nan 8.270 nan 0.000 0.433 384 K N -0.125 120.242 120.400 -0.056 0.000 2.097 384 K HA -0.097 4.224 4.320 0.002 0.000 0.206 384 K C 2.099 178.626 176.600 -0.122 0.000 1.049 384 K CA 1.356 57.600 56.287 -0.070 0.000 0.933 384 K CB -0.071 32.414 32.500 -0.025 0.000 0.717 384 K HN 0.165 nan 8.250 nan 0.000 0.442 385 A N 1.367 124.142 122.820 -0.077 0.000 1.897 385 A HA -0.137 4.184 4.320 0.002 0.000 0.215 385 A C 2.061 179.541 177.584 -0.172 0.000 1.181 385 A CA 1.119 53.126 52.037 -0.050 0.000 0.620 385 A CB -0.392 18.736 19.000 0.213 0.000 0.821 385 A HN 0.222 nan 8.150 nan 0.000 0.443 386 R N 0.587 120.792 120.500 -0.491 0.000 2.105 386 R HA -0.202 4.139 4.340 0.002 0.000 0.239 386 R C 2.366 178.486 176.300 -0.300 0.000 1.135 386 R CA 1.793 57.502 56.100 -0.650 0.000 0.967 386 R CB -0.326 29.211 30.300 -1.273 0.000 0.861 386 R HN 0.680 nan 8.270 nan 0.000 0.442 387 R N -0.304 120.051 120.500 -0.243 0.000 2.115 387 R HA 0.005 4.346 4.340 0.002 0.000 0.230 387 R C 2.029 178.257 176.300 -0.121 0.000 1.111 387 R CA 1.301 57.312 56.100 -0.148 0.000 0.976 387 R CB -0.447 29.787 30.300 -0.111 0.000 0.870 387 R HN 0.188 nan 8.270 nan 0.000 0.445 388 A N 1.652 124.382 122.820 -0.150 0.000 1.929 388 A HA 0.041 4.362 4.320 0.002 0.000 0.216 388 A C 2.186 179.715 177.584 -0.093 0.000 1.176 388 A CA 0.831 52.770 52.037 -0.162 0.000 0.628 388 A CB -0.319 18.538 19.000 -0.238 0.000 0.816 388 A HN 0.277 nan 8.150 nan 0.000 0.444 389 I N -0.133 120.406 120.570 -0.051 0.000 2.361 389 I HA -0.233 3.938 4.170 0.002 0.000 0.251 389 I C 2.136 178.286 176.117 0.055 0.000 1.133 389 I CA 0.851 62.169 61.300 0.031 0.000 1.413 389 I CB -0.140 37.915 38.000 0.092 0.000 1.073 389 I HN 0.291 nan 8.210 nan 0.000 0.424 390 L N -0.062 121.185 121.223 0.041 0.000 2.201 390 L HA -0.145 4.196 4.340 0.002 0.000 0.212 390 L C 2.554 179.480 176.870 0.094 0.000 1.105 390 L CA 0.829 55.742 54.840 0.121 0.000 0.775 390 L CB -0.447 41.669 42.059 0.094 0.000 0.913 390 L HN 0.212 nan 8.230 nan 0.000 0.440 391 R N -1.027 119.491 120.500 0.030 0.000 2.127 391 R HA 0.129 4.471 4.340 0.002 0.000 0.217 391 R C 0.831 177.164 176.300 0.055 0.000 1.074 391 R CA 0.393 56.507 56.100 0.024 0.000 0.991 391 R CB -0.241 30.063 30.300 0.007 0.000 0.895 391 R HN 0.082 nan 8.270 nan 0.000 0.450 392 S N 1.301 117.030 115.700 0.049 0.000 2.571 392 S HA 0.405 4.876 4.470 0.002 0.000 0.238 392 S C -2.811 171.840 174.600 0.085 0.000 1.153 392 S CA -1.434 56.810 58.200 0.073 0.000 1.141 392 S CB 1.330 64.566 63.200 0.060 0.000 1.133 392 S HN -0.176 nan 8.310 nan 0.000 0.464 393 P HA 0.275 nan 4.420 nan 0.000 0.268 393 P C -0.359 177.045 177.300 0.174 0.000 1.205 393 P CA -0.278 62.902 63.100 0.133 0.000 0.771 393 P CB 0.289 32.065 31.700 0.127 0.000 0.858 394 I N -1.197 119.513 120.570 0.233 0.000 2.577 394 I HA 0.399 4.570 4.170 0.002 0.000 0.305 394 I C 0.700 177.061 176.117 0.407 0.000 0.986 394 I CA -0.379 61.105 61.300 0.306 0.000 1.189 394 I CB 1.919 40.123 38.000 0.340 0.000 1.355 394 I HN 0.083 nan 8.210 nan 0.000 0.476 395 S N 2.877 118.813 115.700 0.393 0.000 2.395 395 S HA 0.164 4.635 4.470 0.002 0.000 0.225 395 S C 0.684 175.570 174.600 0.478 0.000 1.027 395 S CA 0.543 58.964 58.200 0.368 0.000 0.965 395 S CB -0.148 63.247 63.200 0.325 0.000 0.812 395 S HN 0.647 nan 8.310 nan 0.000 0.482 396 R N -0.062 120.703 120.500 0.441 0.000 2.836 396 R HA 0.676 5.017 4.340 0.002 0.000 0.269 396 R C -0.802 175.418 176.300 -0.132 0.000 1.010 396 R CA -0.585 55.600 56.100 0.142 0.000 0.930 396 R CB 1.801 32.189 30.300 0.146 0.000 1.218 396 R HN 0.260 nan 8.270 nan 0.000 0.473 397 M N -1.154 118.103 119.600 -0.572 0.000 2.691 397 M HA 0.904 5.385 4.480 0.002 0.000 0.293 397 M C -0.587 175.313 176.300 -0.666 0.000 1.259 397 M CA -0.605 54.364 55.300 -0.551 0.000 0.827 397 M CB 2.785 34.667 32.600 -1.196 0.000 1.753 397 M HN 0.661 nan 8.290 nan 0.000 0.465 398 G N -0.015 108.385 108.800 -0.665 0.000 2.428 398 G HA2 0.579 4.540 3.960 0.002 0.000 0.304 398 G HA3 0.579 4.540 3.960 0.002 0.000 0.304 398 G C -2.580 171.827 174.900 -0.822 0.000 1.303 398 G CA -0.682 43.883 45.100 -0.892 0.000 0.825 398 G HN 0.753 nan 8.290 nan 0.000 0.484 399 Y N -1.148 118.913 120.300 -0.398 0.000 2.605 399 Y HA 0.743 5.295 4.550 0.002 0.000 0.343 399 Y C 0.742 176.397 175.900 -0.407 0.000 1.036 399 Y CA -0.069 57.793 58.100 -0.396 0.000 1.065 399 Y CB 2.605 40.712 38.460 -0.590 0.000 1.288 399 Y HN 0.902 nan 8.280 nan 0.000 0.481 400 G N -0.643 107.967 108.800 -0.318 0.000 2.630 400 G HA2 0.624 4.585 3.960 0.002 0.000 0.296 400 G HA3 0.624 4.585 3.960 0.002 0.000 0.296 400 G C -0.259 174.173 174.900 -0.781 0.000 1.285 400 G CA -0.339 44.601 45.100 -0.266 0.000 0.958 400 G HN 1.228 nan 8.290 nan 0.000 0.479 401 G N -1.063 107.313 108.800 -0.706 0.000 2.451 401 G HA2 0.012 3.973 3.960 0.002 0.000 0.208 401 G HA3 0.012 3.973 3.960 0.002 0.000 0.208 401 G C -1.079 173.566 174.900 -0.425 0.000 1.248 401 G CA -0.531 44.019 45.100 -0.917 0.000 0.989 401 G HN 0.950 nan 8.290 nan 0.000 0.559 402 Y N 0.640 120.922 120.300 -0.030 0.000 2.404 402 Y HA 0.521 5.072 4.550 0.002 0.000 0.344 402 Y C 1.522 177.441 175.900 0.031 0.000 0.970 402 Y CA -0.322 57.771 58.100 -0.011 0.000 1.180 402 Y CB 1.408 39.806 38.460 -0.104 0.000 1.138 402 Y HN 0.579 nan 8.280 nan 0.000 0.510 403 L N 2.402 123.766 121.223 0.235 0.000 2.042 403 L HA -0.233 4.108 4.340 0.002 0.000 0.210 403 L C 2.339 179.262 176.870 0.088 0.000 1.076 403 L CA 2.343 57.343 54.840 0.267 0.000 0.749 403 L CB -0.703 41.603 42.059 0.412 0.000 0.893 403 L HN 0.753 nan 8.230 nan 0.000 0.432 404 S N -1.637 113.873 115.700 -0.316 0.000 2.440 404 S HA -0.181 4.290 4.470 0.002 0.000 0.238 404 S C 1.951 176.441 174.600 -0.184 0.000 1.010 404 S CA 1.190 59.032 58.200 -0.597 0.000 0.972 404 S CB -0.701 61.813 63.200 -1.143 0.000 0.774 404 S HN 0.334 nan 8.310 nan 0.000 0.501 405 L N 1.869 122.987 121.223 -0.175 0.000 2.049 405 L HA 0.356 4.697 4.340 0.002 0.000 0.203 405 L C 2.854 179.572 176.870 -0.253 0.000 1.074 405 L CA 1.607 56.349 54.840 -0.164 0.000 0.749 405 L CB -1.525 40.413 42.059 -0.202 0.000 0.907 405 L HN 0.380 nan 8.230 nan 0.000 0.439 406 A N -0.897 121.526 122.820 -0.662 0.000 2.015 406 A HA -0.051 4.271 4.320 0.002 0.000 0.219 406 A C 2.345 179.929 177.584 0.000 0.000 1.163 406 A CA 1.373 52.933 52.037 -0.795 0.000 0.646 406 A CB -0.861 17.207 19.000 -1.555 0.000 0.806 406 A HN 0.438 nan 8.150 nan 0.000 0.448 407 A N -0.034 122.817 122.820 0.052 0.000 2.125 407 A HA -0.117 4.204 4.320 0.002 0.000 0.219 407 A C 1.876 179.552 177.584 0.152 0.000 1.156 407 A CA 1.565 53.689 52.037 0.146 0.000 0.671 407 A CB -0.353 18.799 19.000 0.254 0.000 0.794 407 A HN 0.566 nan 8.150 nan 0.000 0.459 408 K N -1.503 119.005 120.400 0.181 0.000 2.444 408 K HA 0.162 4.483 4.320 0.002 0.000 0.193 408 K C -0.885 175.642 176.600 -0.121 0.000 1.024 408 K CA 0.141 56.444 56.287 0.028 0.000 1.077 408 K CB 0.106 32.580 32.500 -0.045 0.000 0.833 408 K HN 0.484 nan 8.250 nan 0.000 0.517 409 F N 1.749 121.779 119.950 0.132 0.000 2.363 409 F HA 0.213 4.741 4.527 0.001 0.000 0.366 409 F C -1.658 174.258 175.800 0.193 0.000 1.083 409 F CA -2.380 55.721 58.000 0.168 0.000 1.176 409 F CB 1.362 40.502 39.000 0.233 0.000 1.432 409 F HN -0.121 nan 8.300 nan 0.000 0.482 410 P HA -0.220 nan 4.420 nan 0.000 0.218 410 P C 1.604 179.007 177.300 0.171 0.000 1.148 410 P CA 1.364 64.554 63.100 0.150 0.000 0.822 410 P CB 0.381 32.119 31.700 0.063 0.000 0.784 411 K N -0.796 119.717 120.400 0.190 0.000 2.025 411 K HA -0.154 4.167 4.320 0.002 0.000 0.207 411 K C 2.108 178.826 176.600 0.196 0.000 1.049 411 K CA 1.066 57.450 56.287 0.162 0.000 0.933 411 K CB -0.669 31.920 32.500 0.148 0.000 0.714 411 K HN -0.092 nan 8.250 nan 0.000 0.438 412 F N 1.115 121.162 119.950 0.162 0.000 2.126 412 F HA -0.216 4.311 4.527 0.001 0.000 0.299 412 F C 1.758 177.657 175.800 0.165 0.000 1.096 412 F CA 1.303 59.390 58.000 0.146 0.000 1.255 412 F CB -0.351 38.761 39.000 0.187 0.000 0.997 412 F HN -0.183 nan 8.300 nan 0.000 0.479 413 V N 0.718 120.788 119.914 0.260 0.000 2.287 413 V HA -0.343 3.778 4.120 0.002 0.000 0.248 413 V C 2.082 178.295 176.094 0.199 0.000 1.053 413 V CA 2.353 64.831 62.300 0.298 0.000 1.027 413 V CB -0.759 31.239 31.823 0.292 0.000 0.646 413 V HN 0.311 nan 8.190 nan 0.000 0.447 414 D N -0.401 120.065 120.400 0.110 0.000 2.218 414 D HA -0.123 4.518 4.640 0.002 0.000 0.204 414 D C 2.221 178.524 176.300 0.004 0.000 0.976 414 D CA 1.648 55.690 54.000 0.071 0.000 0.853 414 D CB -0.366 40.466 40.800 0.054 0.000 0.939 414 D HN 0.430 nan 8.370 nan 0.000 0.481 415 T N 0.636 115.136 114.554 -0.089 0.000 2.737 415 T HA -0.085 4.266 4.350 0.002 0.000 0.265 415 T C 2.327 176.886 174.700 -0.236 0.000 1.038 415 T CA 0.701 62.714 62.100 -0.145 0.000 1.144 415 T CB -0.323 68.441 68.868 -0.174 0.000 0.866 415 T HN -0.018 nan 8.240 nan 0.000 0.434 416 V N 1.899 121.519 119.914 -0.489 0.000 2.282 416 V HA -0.235 3.886 4.120 0.002 0.000 0.249 416 V C 2.794 178.587 176.094 -0.502 0.000 1.057 416 V CA 2.208 64.102 62.300 -0.676 0.000 1.032 416 V CB -1.373 29.641 31.823 -1.349 0.000 0.645 416 V HN 0.547 nan 8.190 nan 0.000 0.447 417 T N -1.067 113.370 114.554 -0.194 0.000 2.699 417 T HA -0.310 4.041 4.350 0.002 0.000 0.268 417 T C 1.818 176.468 174.700 -0.084 0.000 1.036 417 T CA 2.282 64.373 62.100 -0.015 0.000 1.147 417 T CB -0.440 68.508 68.868 0.133 0.000 0.862 417 T HN 0.767 nan 8.240 nan 0.000 0.446 418 H N 0.838 119.825 119.070 -0.139 0.000 2.321 418 H HA 0.034 4.591 4.556 0.002 0.000 0.300 418 H C 2.052 177.250 175.328 -0.218 0.000 1.087 418 H CA 1.534 57.511 56.048 -0.119 0.000 1.319 418 H CB -0.437 29.284 29.762 -0.069 0.000 1.379 418 H HN 0.330 nan 8.280 nan 0.000 0.501 419 I N 0.421 120.791 120.570 -0.332 0.000 2.142 419 I HA -0.262 3.909 4.170 0.002 0.000 0.240 419 I C 2.826 178.554 176.117 -0.648 0.000 1.078 419 I CA 1.048 61.928 61.300 -0.700 0.000 1.343 419 I CB -0.637 36.953 38.000 -0.683 0.000 1.046 419 I HN 0.466 nan 8.210 nan 0.000 0.405 420 A N 1.215 123.782 122.820 -0.422 0.000 1.884 420 A HA -0.288 4.033 4.320 0.002 0.000 0.219 420 A C 2.087 179.559 177.584 -0.188 0.000 1.197 420 A CA 2.460 54.330 52.037 -0.278 0.000 0.637 420 A CB -0.903 17.824 19.000 -0.454 0.000 0.827 420 A HN 0.446 nan 8.150 nan 0.000 0.450 421 N N -0.535 118.037 118.700 -0.213 0.000 2.104 421 N HA -0.163 4.578 4.740 0.002 0.000 0.190 421 N C 1.746 177.178 175.510 -0.130 0.000 1.024 421 N CA 1.613 54.575 53.050 -0.145 0.000 0.853 421 N CB -0.411 37.995 38.487 -0.136 0.000 1.008 421 N HN 0.779 nan 8.380 nan 0.000 0.424 422 E N -0.402 119.656 120.200 -0.237 0.000 2.072 422 E HA -0.123 4.228 4.350 0.002 0.000 0.190 422 E C 1.801 178.433 176.600 0.053 0.000 0.982 422 E CA 0.432 56.768 56.400 -0.106 0.000 0.803 422 E CB -0.150 29.463 29.700 -0.145 0.000 0.755 422 E HN 0.279 nan 8.360 nan 0.000 0.453 423 F N 1.572 121.373 119.950 -0.248 0.000 2.043 423 F HA -0.250 4.278 4.527 0.002 0.000 0.297 423 F C 2.396 178.223 175.800 0.045 0.000 1.121 423 F CA 1.884 59.839 58.000 -0.076 0.000 1.199 423 F CB -0.055 38.768 39.000 -0.295 0.000 0.968 423 F HN -0.114 nan 8.300 nan 0.000 0.478 424 R N -0.152 120.505 120.500 0.261 0.000 2.105 424 R HA -0.220 4.121 4.340 0.002 0.000 0.239 424 R C 1.950 178.273 176.300 0.039 0.000 1.135 424 R CA 1.892 58.086 56.100 0.158 0.000 0.967 424 R CB -0.721 29.643 30.300 0.106 0.000 0.861 424 R HN 0.399 nan 8.270 nan 0.000 0.442 425 D N 0.303 120.702 120.400 -0.001 0.000 2.117 425 D HA -0.087 4.555 4.640 0.002 0.000 0.198 425 D C 1.734 177.952 176.300 -0.136 0.000 0.982 425 D CA 0.882 54.839 54.000 -0.072 0.000 0.828 425 D CB 0.071 40.837 40.800 -0.058 0.000 0.967 425 D HN 0.116 nan 8.370 nan 0.000 0.464 426 I N -0.425 120.137 120.570 -0.014 0.000 2.264 426 I HA -0.257 3.914 4.170 0.002 0.000 0.248 426 I C 2.174 178.197 176.117 -0.156 0.000 1.111 426 I CA 1.263 62.569 61.300 0.010 0.000 1.382 426 I CB -0.311 37.791 38.000 0.169 0.000 1.060 426 I HN 0.197 nan 8.210 nan 0.000 0.418 427 H N 0.968 119.907 119.070 -0.217 0.000 2.326 427 H HA -0.181 4.376 4.556 0.002 0.000 0.301 427 H C 1.799 177.015 175.328 -0.186 0.000 1.081 427 H CA 2.032 57.959 56.048 -0.201 0.000 1.334 427 H CB 0.065 29.725 29.762 -0.171 0.000 1.385 427 H HN 0.228 nan 8.280 nan 0.000 0.504 428 D N -0.070 120.280 120.400 -0.084 0.000 2.144 428 D HA -0.103 4.538 4.640 0.002 0.000 0.199 428 D C 2.214 178.340 176.300 -0.290 0.000 0.984 428 D CA 0.940 54.861 54.000 -0.132 0.000 0.834 428 D CB -0.149 40.591 40.800 -0.099 0.000 0.955 428 D HN 0.422 nan 8.370 nan 0.000 0.465 429 R N -0.087 120.150 120.500 -0.439 0.000 2.090 429 R HA -0.023 4.318 4.340 0.002 0.000 0.228 429 R C 2.108 178.066 176.300 -0.570 0.000 1.110 429 R CA 1.557 57.295 56.100 -0.604 0.000 0.973 429 R CB -0.193 29.440 30.300 -1.112 0.000 0.869 429 R HN 0.269 nan 8.270 nan 0.000 0.440 430 T N -3.487 110.712 114.554 -0.592 0.000 3.060 430 T HA 0.173 4.524 4.350 0.002 0.000 0.249 430 T C 1.386 175.847 174.700 -0.399 0.000 1.079 430 T CA 0.429 62.159 62.100 -0.618 0.000 1.013 430 T CB 0.780 69.185 68.868 -0.773 0.000 0.975 430 T HN 0.358 nan 8.240 nan 0.000 0.518 431 G N 1.265 109.811 108.800 -0.422 0.000 2.180 431 G HA2 0.014 3.975 3.960 0.002 0.000 0.263 431 G HA3 0.014 3.975 3.960 0.002 0.000 0.263 431 G C 1.125 175.757 174.900 -0.446 0.000 0.989 431 G CA 0.490 45.369 45.100 -0.369 0.000 0.692 431 G HN 1.834 nan 8.290 nan 0.000 0.526 432 G N -2.862 105.577 108.800 -0.602 0.000 2.136 432 G HA2 0.000 3.961 3.960 0.002 0.000 0.242 432 G HA3 0.000 3.961 3.960 0.002 0.000 0.242 432 G C 0.339 175.201 174.900 -0.064 0.000 0.989 432 G CA 0.541 45.437 45.100 -0.339 0.000 0.682 432 G HN 1.605 nan 8.290 nan 0.000 0.522 433 V N 1.005 120.888 119.914 -0.050 0.000 2.509 433 V HA 0.718 4.839 4.120 0.002 0.000 0.284 433 V C 1.138 177.340 176.094 0.181 0.000 1.047 433 V CA -0.282 62.057 62.300 0.064 0.000 0.952 433 V CB 1.446 33.308 31.823 0.066 0.000 0.988 433 V HN 1.122 nan 8.190 nan 0.000 0.469 434 A N 4.039 126.951 122.820 0.154 0.000 2.498 434 A HA 0.607 4.928 4.320 0.002 0.000 0.239 434 A C 0.802 178.458 177.584 0.121 0.000 1.068 434 A CA 0.352 52.481 52.037 0.152 0.000 0.766 434 A CB 0.050 19.104 19.000 0.089 0.000 1.003 434 A HN 1.411 nan 8.150 nan 0.000 0.497 435 A N 1.260 124.067 122.820 -0.022 0.000 2.429 435 A HA 0.363 4.684 4.320 0.002 0.000 0.242 435 A C 0.642 178.056 177.584 -0.283 0.000 1.088 435 A CA 0.242 51.974 52.037 -0.508 0.000 0.784 435 A CB -0.039 18.606 19.000 -0.592 0.000 1.038 435 A HN 0.932 nan 8.150 nan 0.000 0.501 436 E N 0.864 120.851 120.200 -0.355 0.000 2.324 436 E HA 0.341 4.692 4.350 0.002 0.000 0.271 436 E C 0.424 176.971 176.600 -0.088 0.000 1.028 436 E CA -0.064 56.228 56.400 -0.181 0.000 0.890 436 E CB 0.441 30.025 29.700 -0.193 0.000 1.004 436 E HN 0.709 nan 8.360 nan 0.000 0.431 437 G N 3.759 112.542 108.800 -0.028 0.000 2.372 437 G HA2 0.053 4.014 3.960 0.002 0.000 0.283 437 G HA3 0.053 4.014 3.960 0.002 0.000 0.283 437 G C 0.356 175.284 174.900 0.046 0.000 1.177 437 G CA -0.470 44.638 45.100 0.013 0.000 0.842 437 G HN 0.671 nan 8.290 nan 0.000 0.503 438 E N 1.251 121.503 120.200 0.088 0.000 2.400 438 E HA 0.136 4.487 4.350 0.002 0.000 0.195 438 E C 0.699 177.316 176.600 0.028 0.000 1.012 438 E CA 0.421 56.909 56.400 0.146 0.000 0.875 438 E CB 0.491 30.404 29.700 0.355 0.000 0.859 438 E HN 0.392 nan 8.360 nan 0.000 0.498 439 L N 0.791 121.970 121.223 -0.073 0.000 2.415 439 L HA 0.381 4.722 4.340 0.002 0.000 0.256 439 L C -0.642 176.182 176.870 -0.076 0.000 1.010 439 L CA -1.010 53.745 54.840 -0.142 0.000 0.826 439 L CB 1.903 43.755 42.059 -0.346 0.000 1.405 439 L HN -0.248 nan 8.230 nan 0.000 0.410 440 N N 1.246 119.915 118.700 -0.051 0.000 2.437 440 N HA 0.457 5.198 4.740 0.002 0.000 0.259 440 N C -1.038 174.444 175.510 -0.048 0.000 0.983 440 N CA -0.227 52.801 53.050 -0.035 0.000 0.937 440 N CB 2.204 40.687 38.487 -0.007 0.000 1.122 440 N HN 0.150 nan 8.380 nan 0.000 0.499 441 V N 0.996 120.857 119.914 -0.089 0.000 2.495 441 V HA 0.762 4.883 4.120 0.002 0.000 0.298 441 V C -0.121 175.845 176.094 -0.214 0.000 1.031 441 V CA -0.956 61.267 62.300 -0.128 0.000 0.871 441 V CB 1.560 33.300 31.823 -0.139 0.000 0.988 441 V HN 0.714 nan 8.190 nan 0.000 0.432 442 A N 5.907 128.590 122.820 -0.229 0.000 2.319 442 A HA 0.772 5.093 4.320 0.002 0.000 0.310 442 A C -0.627 176.732 177.584 -0.373 0.000 1.152 442 A CA -0.541 51.307 52.037 -0.316 0.000 0.783 442 A CB 0.673 19.523 19.000 -0.251 0.000 1.184 442 A HN 0.680 nan 8.150 nan 0.000 0.474 443 I N 3.248 123.479 120.570 -0.566 0.000 2.352 443 I HA 0.158 4.329 4.170 0.002 0.000 0.290 443 I C -0.522 175.394 176.117 -0.336 0.000 1.036 443 I CA -0.228 60.779 61.300 -0.489 0.000 1.336 443 I CB 1.157 38.715 38.000 -0.737 0.000 1.407 443 I HN 0.585 nan 8.210 nan 0.000 0.497 444 L N 9.110 130.180 121.223 -0.255 0.000 2.287 444 L HA 0.446 4.787 4.340 0.002 0.000 0.287 444 L C -0.517 176.143 176.870 -0.350 0.000 1.022 444 L CA 0.149 54.794 54.840 -0.325 0.000 0.814 444 L CB 0.734 42.641 42.059 -0.254 0.000 1.217 444 L HN 0.795 nan 8.230 nan 0.000 0.420 445 N N 0.957 119.336 118.700 -0.535 0.000 3.243 445 N HA 0.346 5.087 4.740 0.002 0.000 0.280 445 N C 0.013 175.196 175.510 -0.546 0.000 1.545 445 N CA -0.280 52.529 53.050 -0.402 0.000 0.854 445 N CB 0.557 39.030 38.487 -0.023 0.000 1.612 445 N HN 0.163 nan 8.380 nan 0.000 0.577 446 S N -1.298 114.298 115.700 -0.172 0.000 2.399 446 S HA -0.044 4.427 4.470 0.002 0.000 0.231 446 S C 0.794 175.123 174.600 -0.451 0.000 1.022 446 S CA 1.078 59.121 58.200 -0.263 0.000 0.983 446 S CB -0.534 62.377 63.200 -0.481 0.000 0.803 446 S HN 0.575 nan 8.310 nan 0.000 0.480 447 W N 1.481 122.659 121.300 -0.204 0.000 2.480 447 W HA 0.323 4.984 4.660 0.002 0.000 0.299 447 W C 1.841 178.253 176.519 -0.178 0.000 1.187 447 W CA 0.672 57.901 57.345 -0.193 0.000 1.347 447 W CB -0.802 28.519 29.460 -0.231 0.000 1.121 447 W HN 0.486 nan 8.180 nan 0.000 0.533 448 G N 0.704 109.519 108.800 0.025 0.000 2.539 448 G HA2 -0.462 3.499 3.960 0.002 0.000 0.256 448 G HA3 -0.462 3.499 3.960 0.002 0.000 0.256 448 G C 0.855 175.738 174.900 -0.028 0.000 1.233 448 G CA 0.645 45.727 45.100 -0.031 0.000 0.936 448 G HN 0.209 nan 8.290 nan 0.000 0.571 449 K N 0.451 120.835 120.400 -0.026 0.000 2.113 449 K HA -0.143 4.178 4.320 0.002 0.000 0.208 449 K C 2.800 179.329 176.600 -0.119 0.000 1.047 449 K CA 2.530 58.781 56.287 -0.061 0.000 0.928 449 K CB -0.355 32.155 32.500 0.017 0.000 0.716 449 K HN 0.658 nan 8.250 nan 0.000 0.446 450 M N -1.004 118.580 119.600 -0.026 0.000 2.446 450 M HA -0.042 4.439 4.480 0.002 0.000 0.263 450 M C 0.588 176.809 176.300 -0.131 0.000 1.066 450 M CA 1.344 56.648 55.300 0.006 0.000 1.087 450 M CB 0.204 32.838 32.600 0.058 0.000 1.406 450 M HN -0.119 nan 8.290 nan 0.000 0.459 451 R N 1.400 121.732 120.500 -0.280 0.000 2.748 451 R HA 0.374 4.715 4.340 0.002 0.000 0.395 451 R C -0.600 175.253 176.300 -0.745 0.000 1.128 451 R CA -0.107 55.715 56.100 -0.463 0.000 1.042 451 R CB 0.219 30.187 30.300 -0.554 0.000 1.392 451 R HN 0.289 nan 8.270 nan 0.000 0.582 452 S N 0.674 115.751 115.700 -1.037 0.000 2.596 452 S HA -0.082 4.389 4.470 0.002 0.000 0.298 452 S C 0.166 173.989 174.600 -1.295 0.000 1.255 452 S CA 0.116 57.285 58.200 -1.719 0.000 1.083 452 S CB -0.045 62.239 63.200 -1.527 0.000 0.837 452 S HN 0.600 nan 8.310 nan 0.000 0.499 453 W N 0.502 120.847 121.300 -1.591 0.000 2.869 453 W HA -0.283 4.378 4.660 0.002 0.000 0.285 453 W C 0.832 177.169 176.519 -0.303 0.000 1.098 453 W CA 0.181 57.163 57.345 -0.605 0.000 0.571 453 W CB -2.055 27.233 29.460 -0.286 0.000 2.131 453 W HN 0.624 nan 8.180 nan 0.000 1.367 454 M N -0.545 118.906 119.600 -0.250 0.000 2.313 454 M HA 0.337 4.818 4.480 0.002 0.000 0.273 454 M C 1.418 177.630 176.300 -0.147 0.000 1.049 454 M CA 0.405 55.719 55.300 0.023 0.000 1.004 454 M CB 0.265 32.864 32.600 -0.001 0.000 1.461 454 M HN 0.092 nan 8.290 nan 0.000 0.514 455 A N 0.205 122.781 122.820 -0.406 0.000 2.483 455 A HA 0.321 4.643 4.320 0.002 0.000 0.238 455 A C 0.135 177.206 177.584 -0.856 0.000 1.070 455 A CA 0.159 51.613 52.037 -0.971 0.000 0.770 455 A CB -0.357 17.825 19.000 -1.364 0.000 1.008 455 A HN 0.600 nan 8.150 nan 0.000 0.497 456 F N -0.887 118.347 119.950 -1.194 0.000 2.748 456 F HA -0.204 4.325 4.527 0.002 0.000 0.370 456 F C 0.972 177.039 175.800 0.446 0.000 0.620 456 F CA 1.119 58.852 58.000 -0.444 0.000 1.233 456 F CB -2.583 36.349 39.000 -0.113 0.000 1.708 456 F HN 0.523 nan 8.300 nan 0.000 0.298 457 T N 0.788 115.670 114.554 0.548 0.000 2.869 457 T HA 0.555 4.906 4.350 0.002 0.000 0.295 457 T C 1.137 176.266 174.700 0.714 0.000 0.987 457 T CA 0.068 62.502 62.100 0.557 0.000 1.109 457 T CB 2.324 71.491 68.868 0.498 0.000 0.932 457 T HN -0.001 nan 8.240 nan 0.000 0.518 458 V N 1.775 121.933 119.914 0.406 0.000 3.204 458 V HA 0.470 4.591 4.120 0.002 0.000 0.218 458 V C 1.021 177.176 176.094 0.102 0.000 1.159 458 V CA 0.060 62.542 62.300 0.303 0.000 1.282 458 V CB -0.453 31.463 31.823 0.155 0.000 1.225 458 V HN 0.913 nan 8.190 nan 0.000 0.509 459 A N -0.023 122.788 122.820 -0.015 0.000 2.310 459 A HA 0.412 4.733 4.320 0.002 0.000 0.299 459 A C 0.000 177.418 177.584 -0.277 0.000 1.147 459 A CA -0.226 51.734 52.037 -0.128 0.000 0.818 459 A CB -0.148 18.793 19.000 -0.099 0.000 1.096 459 A HN 0.572 nan 8.150 nan 0.000 0.495 460 H N 1.991 120.680 119.070 -0.635 0.000 3.070 460 H HA 0.178 4.735 4.556 0.002 0.000 0.313 460 H C 1.185 176.188 175.328 -0.541 0.000 0.997 460 H CA 1.470 56.975 56.048 -0.906 0.000 1.438 460 H CB 0.401 29.204 29.762 -1.599 0.000 1.455 460 H HN 1.424 nan 8.280 nan 0.000 0.575 461 A N 4.470 126.771 122.820 -0.865 0.000 2.861 461 A HA -0.211 4.110 4.320 0.002 0.000 0.261 461 A C 0.248 177.617 177.584 -0.359 0.000 1.351 461 A CA 1.201 52.905 52.037 -0.554 0.000 0.904 461 A CB -1.977 16.761 19.000 -0.437 0.000 1.076 461 A HN 0.649 nan 8.150 nan 0.000 0.729 462 L N 0.595 121.601 121.223 -0.362 0.000 2.637 462 L HA 0.323 4.664 4.340 0.002 0.000 0.241 462 L C -2.130 174.580 176.870 -0.267 0.000 1.398 462 L CA -1.742 52.946 54.840 -0.254 0.000 0.895 462 L CB 1.075 43.029 42.059 -0.173 0.000 1.183 462 L HN 0.172 nan 8.230 nan 0.000 0.497 463 P HA 0.145 nan 4.420 nan 0.000 0.269 463 P C -0.984 176.253 177.300 -0.105 0.000 1.209 463 P CA -0.029 62.897 63.100 -0.290 0.000 0.776 463 P CB 0.968 32.460 31.700 -0.347 0.000 0.876 464 N N 0.404 119.097 118.700 -0.012 0.000 3.167 464 N HA 0.212 4.953 4.740 0.002 0.000 0.323 464 N C 0.856 176.416 175.510 0.084 0.000 1.478 464 N CA -0.963 52.077 53.050 -0.016 0.000 0.753 464 N CB 0.510 38.976 38.487 -0.035 0.000 1.721 464 N HN 0.229 nan 8.380 nan 0.000 0.618 465 K N -0.769 119.645 120.400 0.024 0.000 2.074 465 K HA -0.232 4.089 4.320 0.002 0.000 0.209 465 K C 1.055 177.824 176.600 0.282 0.000 1.048 465 K CA 1.904 58.261 56.287 0.117 0.000 0.926 465 K CB -0.097 32.427 32.500 0.040 0.000 0.713 465 K HN 0.517 nan 8.250 nan 0.000 0.444 466 Q N -0.644 119.246 119.800 0.150 0.000 2.378 466 Q HA -0.036 4.305 4.340 0.002 0.000 0.205 466 Q C 1.675 177.789 176.000 0.190 0.000 0.954 466 Q CA 1.611 57.485 55.803 0.119 0.000 0.901 466 Q CB 0.530 29.260 28.738 -0.015 0.000 0.981 466 Q HN 0.628 nan 8.270 nan 0.000 0.483 467 T N -3.816 110.888 114.554 0.250 0.000 2.955 467 T HA -0.013 4.338 4.350 0.002 0.000 0.251 467 T C 1.676 176.565 174.700 0.316 0.000 1.002 467 T CA 0.103 62.447 62.100 0.406 0.000 0.970 467 T CB -0.522 68.602 68.868 0.426 0.000 1.091 467 T HN 0.376 nan 8.240 nan 0.000 0.495 468 Y N 2.286 122.645 120.300 0.099 0.000 2.256 468 Y HA 0.098 4.649 4.550 0.002 0.000 0.288 468 Y C 2.152 178.050 175.900 -0.004 0.000 1.155 468 Y CA 0.933 59.081 58.100 0.079 0.000 1.203 468 Y CB -0.779 37.704 38.460 0.038 0.000 0.980 468 Y HN 0.163 nan 8.280 nan 0.000 0.530 469 S N -0.285 114.890 115.700 -0.875 0.000 2.474 469 S HA -0.088 4.383 4.470 0.002 0.000 0.235 469 S C 0.799 174.916 174.600 -0.805 0.000 0.997 469 S CA 1.310 58.944 58.200 -0.943 0.000 0.949 469 S CB -0.406 62.172 63.200 -1.038 0.000 0.766 469 S HN 0.656 nan 8.310 nan 0.000 0.517 470 Y N -2.097 117.982 120.300 -0.368 0.000 2.607 470 Y HA 0.295 4.846 4.550 0.002 0.000 0.276 470 Y C 1.842 177.327 175.900 -0.692 0.000 1.117 470 Y CA -0.854 56.785 58.100 -0.768 0.000 1.273 470 Y CB -0.731 36.877 38.460 -1.419 0.000 1.282 470 Y HN 0.180 nan 8.280 nan 0.000 0.514 471 Y N 1.202 121.381 120.300 -0.202 0.000 2.256 471 Y HA -0.147 4.404 4.550 0.002 0.000 0.288 471 Y C 2.399 178.333 175.900 0.057 0.000 1.155 471 Y CA 1.531 59.671 58.100 0.067 0.000 1.203 471 Y CB -0.619 37.932 38.460 0.152 0.000 0.980 471 Y HN 0.128 nan 8.280 nan 0.000 0.530 472 G N 0.146 108.995 108.800 0.080 0.000 2.462 472 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 472 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 472 G C 1.683 176.601 174.900 0.030 0.000 1.121 472 G CA 1.300 46.448 45.100 0.079 0.000 0.758 472 G HN 0.512 nan 8.290 nan 0.000 0.559 473 I N 0.262 120.816 120.570 -0.027 0.000 2.179 473 I HA -0.126 4.045 4.170 0.002 0.000 0.242 473 I C 2.683 178.829 176.117 0.048 0.000 1.088 473 I CA 0.699 62.004 61.300 0.008 0.000 1.357 473 I CB -0.236 37.767 38.000 0.005 0.000 1.051 473 I HN 0.117 nan 8.210 nan 0.000 0.409 474 L N 0.208 121.459 121.223 0.047 0.000 2.046 474 L HA -0.208 4.133 4.340 0.002 0.000 0.208 474 L C 2.621 179.519 176.870 0.047 0.000 1.077 474 L CA 1.457 56.378 54.840 0.136 0.000 0.747 474 L CB -0.678 41.443 42.059 0.104 0.000 0.896 474 L HN 0.248 nan 8.230 nan 0.000 0.432 475 E N 0.332 120.397 120.200 -0.224 0.000 2.077 475 E HA -0.157 4.194 4.350 0.002 0.000 0.193 475 E C 2.230 178.650 176.600 -0.301 0.000 0.989 475 E CA 1.498 57.671 56.400 -0.378 0.000 0.800 475 E CB 0.026 29.405 29.700 -0.535 0.000 0.746 475 E HN 0.235 nan 8.360 nan 0.000 0.452 476 S N 0.010 115.705 115.700 -0.009 0.000 2.353 476 S HA -0.150 4.321 4.470 0.002 0.000 0.222 476 S C 1.878 176.539 174.600 0.101 0.000 1.035 476 S CA 1.391 59.690 58.200 0.165 0.000 1.025 476 S CB -0.373 62.941 63.200 0.190 0.000 0.902 476 S HN 0.278 nan 8.310 nan 0.000 0.440 477 L N 1.886 123.184 121.223 0.126 0.000 2.201 477 L HA -0.076 4.265 4.340 0.002 0.000 0.212 477 L C 2.659 179.659 176.870 0.217 0.000 1.105 477 L CA 1.076 56.032 54.840 0.192 0.000 0.775 477 L CB -0.753 41.441 42.059 0.226 0.000 0.913 477 L HN 0.421 nan 8.230 nan 0.000 0.440 478 S N -0.261 115.482 115.700 0.071 0.000 2.402 478 S HA -0.151 4.320 4.470 0.002 0.000 0.233 478 S C 1.683 176.155 174.600 -0.213 0.000 1.030 478 S CA 1.298 59.314 58.200 -0.307 0.000 1.003 478 S CB -0.608 62.315 63.200 -0.462 0.000 0.813 478 S HN 0.447 nan 8.310 nan 0.000 0.477 479 G N -0.029 108.710 108.800 -0.102 0.000 3.519 479 G HA2 0.441 4.402 3.960 0.002 0.000 0.269 479 G HA3 0.441 4.402 3.960 0.002 0.000 0.269 479 G C -0.022 174.877 174.900 -0.002 0.000 1.028 479 G CA -0.537 44.523 45.100 -0.068 0.000 0.809 479 G HN 0.460 nan 8.290 nan 0.000 0.521 480 M N 1.619 121.245 119.600 0.044 0.000 2.241 480 M HA 0.268 4.749 4.480 0.002 0.000 0.335 480 M C 1.375 177.717 176.300 0.070 0.000 1.122 480 M CA -0.658 54.688 55.300 0.077 0.000 1.164 480 M CB 0.752 33.418 32.600 0.110 0.000 1.459 480 M HN 0.217 nan 8.290 nan 0.000 0.461 481 R N 3.076 123.627 120.500 0.085 0.000 4.739 481 R HA 0.216 4.557 4.340 0.002 0.000 0.203 481 R C -0.926 175.433 176.300 0.099 0.000 2.125 481 R CA -0.248 55.898 56.100 0.076 0.000 1.743 481 R CB -1.455 28.896 30.300 0.085 0.000 1.271 481 R HN 0.454 nan 8.270 nan 0.000 0.746 482 V N -2.525 117.434 119.914 0.074 0.000 3.078 482 V HA 0.462 4.583 4.120 0.002 0.000 0.311 482 V C -1.040 175.078 176.094 0.041 0.000 1.138 482 V CA -1.494 60.831 62.300 0.041 0.000 1.007 482 V CB 2.236 34.061 31.823 0.004 0.000 1.045 482 V HN 0.176 nan 8.190 nan 0.000 0.432 483 N N 1.417 120.128 118.700 0.019 0.000 2.422 483 N HA 0.531 5.272 4.740 0.002 0.000 0.264 483 N C -0.717 174.789 175.510 -0.007 0.000 1.063 483 N CA -0.111 52.956 53.050 0.029 0.000 0.959 483 N CB 1.661 40.159 38.487 0.019 0.000 1.087 483 N HN 0.667 nan 8.380 nan 0.000 0.483 484 V N 3.269 123.198 119.914 0.025 0.000 2.384 484 V HA 0.484 4.605 4.120 0.002 0.000 0.287 484 V C 0.395 176.378 176.094 -0.185 0.000 1.020 484 V CA -0.827 61.394 62.300 -0.132 0.000 0.850 484 V CB 1.275 33.025 31.823 -0.123 0.000 0.987 484 V HN 0.669 nan 8.190 nan 0.000 0.436 485 R N 3.427 123.717 120.500 -0.349 0.000 2.892 485 R HA 0.781 5.122 4.340 0.002 0.000 0.265 485 R C -1.841 174.115 176.300 -0.573 0.000 1.025 485 R CA -0.726 55.218 56.100 -0.261 0.000 0.982 485 R CB 1.902 32.127 30.300 -0.125 0.000 1.185 485 R HN 0.383 nan 8.270 nan 0.000 0.484 486 F N 2.217 121.989 119.950 -0.297 0.000 2.477 486 F HA 0.501 5.029 4.527 0.002 0.000 0.335 486 F C 0.091 175.746 175.800 -0.242 0.000 1.130 486 F CA -0.936 56.872 58.000 -0.321 0.000 0.948 486 F CB 1.952 40.709 39.000 -0.405 0.000 1.154 486 F HN 0.449 nan 8.300 nan 0.000 0.439 487 I N -0.033 120.458 120.570 -0.132 0.000 2.689 487 I HA 0.801 4.972 4.170 0.002 0.000 0.299 487 I C -0.439 175.523 176.117 -0.258 0.000 1.059 487 I CA -0.795 60.406 61.300 -0.165 0.000 1.055 487 I CB 2.244 40.129 38.000 -0.193 0.000 1.243 487 I HN 0.509 nan 8.210 nan 0.000 0.425 488 S N 3.094 118.648 115.700 -0.243 0.000 2.690 488 S HA 0.497 4.968 4.470 0.002 0.000 0.291 488 S C 0.530 174.887 174.600 -0.405 0.000 1.138 488 S CA -0.564 57.428 58.200 -0.346 0.000 1.013 488 S CB 1.177 64.267 63.200 -0.184 0.000 1.053 488 S HN 0.596 nan 8.310 nan 0.000 0.539 489 F N 1.128 120.950 119.950 -0.214 0.000 2.161 489 F HA -0.061 4.467 4.527 0.002 0.000 0.300 489 F C 2.234 177.895 175.800 -0.232 0.000 1.089 489 F CA 1.366 59.204 58.000 -0.270 0.000 1.282 489 F CB -0.734 38.047 39.000 -0.365 0.000 1.010 489 F HN 0.558 nan 8.300 nan 0.000 0.485 490 D N 0.322 120.692 120.400 -0.049 0.000 2.123 490 D HA -0.174 4.467 4.640 0.002 0.000 0.196 490 D C 1.666 177.898 176.300 -0.114 0.000 0.992 490 D CA 1.598 55.544 54.000 -0.090 0.000 0.833 490 D CB -0.480 40.271 40.800 -0.081 0.000 0.954 490 D HN 0.303 nan 8.370 nan 0.000 0.455 491 D N 0.791 121.139 120.400 -0.086 0.000 2.104 491 D HA -0.109 4.532 4.640 0.002 0.000 0.194 491 D C 2.397 178.655 176.300 -0.070 0.000 0.994 491 D CA 0.500 54.486 54.000 -0.023 0.000 0.830 491 D CB -0.434 40.361 40.800 -0.010 0.000 0.959 491 D HN 0.096 nan 8.370 nan 0.000 0.452 492 V N 1.102 120.950 119.914 -0.109 0.000 2.343 492 V HA -0.195 3.926 4.120 0.002 0.000 0.247 492 V C 2.659 178.684 176.094 -0.115 0.000 1.051 492 V CA 1.103 63.335 62.300 -0.114 0.000 1.036 492 V CB -0.422 31.323 31.823 -0.129 0.000 0.654 492 V HN 0.170 nan 8.190 nan 0.000 0.451 493 L N -0.156 120.990 121.223 -0.129 0.000 2.056 493 L HA -0.117 4.224 4.340 0.002 0.000 0.207 493 L C 2.676 179.437 176.870 -0.181 0.000 1.078 493 L CA 1.504 56.260 54.840 -0.139 0.000 0.749 493 L CB -0.709 41.267 42.059 -0.138 0.000 0.901 493 L HN 0.356 nan 8.230 nan 0.000 0.433 494 A N -0.926 121.719 122.820 -0.291 0.000 1.897 494 A HA -0.152 4.169 4.320 0.002 0.000 0.215 494 A C 1.707 178.980 177.584 -0.519 0.000 1.181 494 A CA 1.284 53.022 52.037 -0.498 0.000 0.620 494 A CB -0.364 18.156 19.000 -0.801 0.000 0.821 494 A HN 0.521 nan 8.150 nan 0.000 0.443 495 H N -1.754 117.286 119.070 -0.049 0.000 3.078 495 H HA 0.360 4.917 4.556 0.002 0.000 0.263 495 H C 1.270 176.568 175.328 -0.050 0.000 1.177 495 H CA 0.194 56.216 56.048 -0.043 0.000 1.128 495 H CB -0.292 29.445 29.762 -0.043 0.000 1.623 495 H HN 0.655 nan 8.280 nan 0.000 0.592 496 G N 1.894 110.697 108.800 0.005 0.000 2.645 496 G HA2 -0.292 3.669 3.960 0.002 0.000 0.246 496 G HA3 -0.292 3.669 3.960 0.002 0.000 0.246 496 G C -0.276 174.578 174.900 -0.078 0.000 1.322 496 G CA -0.221 44.861 45.100 -0.029 0.000 0.898 496 G HN 0.241 nan 8.290 nan 0.000 0.573 497 I N 1.239 121.717 120.570 -0.154 0.000 2.304 497 I HA 0.226 4.397 4.170 0.002 0.000 0.291 497 I C -0.035 175.977 176.117 -0.175 0.000 1.018 497 I CA -0.599 60.516 61.300 -0.309 0.000 1.260 497 I CB 1.194 38.734 38.000 -0.767 0.000 1.390 497 I HN 0.368 nan 8.210 nan 0.000 0.475 498 D N 3.773 124.098 120.400 -0.126 0.000 2.571 498 D HA -0.069 4.572 4.640 0.002 0.000 0.231 498 D C 1.308 177.622 176.300 0.023 0.000 1.133 498 D CA 0.421 54.395 54.000 -0.045 0.000 0.862 498 D CB 0.796 41.565 40.800 -0.051 0.000 1.179 498 D HN 0.604 nan 8.370 nan 0.000 0.474 499 S N 1.195 116.936 115.700 0.067 0.000 2.481 499 S HA -0.167 4.304 4.470 0.002 0.000 0.231 499 S C 1.153 175.833 174.600 0.133 0.000 0.996 499 S CA 0.524 58.804 58.200 0.133 0.000 0.942 499 S CB -0.019 63.240 63.200 0.098 0.000 0.768 499 S HN 0.612 nan 8.310 nan 0.000 0.520 500 D N 1.328 121.778 120.400 0.083 0.000 2.363 500 D HA 0.051 4.692 4.640 0.002 0.000 0.220 500 D C 0.450 176.803 176.300 0.089 0.000 0.994 500 D CA -0.108 53.934 54.000 0.070 0.000 0.890 500 D CB -0.506 40.316 40.800 0.036 0.000 0.906 500 D HN 0.417 nan 8.370 nan 0.000 0.530 501 I N 1.757 122.404 120.570 0.128 0.000 2.471 501 I HA -0.029 4.142 4.170 0.002 0.000 0.286 501 I C 0.957 177.268 176.117 0.323 0.000 1.079 501 I CA -0.189 61.202 61.300 0.152 0.000 1.398 501 I CB 0.981 39.003 38.000 0.036 0.000 1.403 501 I HN -0.230 nan 8.210 nan 0.000 0.530 502 D N 4.988 125.507 120.400 0.198 0.000 2.259 502 D HA 0.081 4.723 4.640 0.002 0.000 0.216 502 D C 0.151 176.606 176.300 0.258 0.000 0.961 502 D CA 1.257 55.356 54.000 0.166 0.000 0.878 502 D CB 0.635 41.448 40.800 0.022 0.000 1.009 502 D HN 0.201 nan 8.370 nan 0.000 0.490 503 V N 1.462 121.510 119.914 0.223 0.000 2.760 503 V HA 0.385 4.506 4.120 0.002 0.000 0.309 503 V C -0.380 175.785 176.094 0.118 0.000 1.077 503 V CA -0.734 61.688 62.300 0.204 0.000 0.910 503 V CB 2.965 34.809 31.823 0.035 0.000 1.008 503 V HN -0.082 nan 8.190 nan 0.000 0.424 504 I N 4.818 125.474 120.570 0.143 0.000 2.404 504 I HA 0.528 4.699 4.170 0.002 0.000 0.293 504 I C -0.802 175.194 176.117 -0.202 0.000 0.992 504 I CA -0.469 60.804 61.300 -0.045 0.000 1.149 504 I CB 1.844 39.847 38.000 0.006 0.000 1.315 504 I HN 0.451 nan 8.210 nan 0.000 0.446 505 I N 6.489 126.909 120.570 -0.251 0.000 2.404 505 I HA 0.330 4.501 4.170 0.002 0.000 0.293 505 I C -0.285 175.674 176.117 -0.263 0.000 0.992 505 I CA -0.489 60.626 61.300 -0.308 0.000 1.149 505 I CB 1.634 39.508 38.000 -0.210 0.000 1.315 505 I HN 0.562 nan 8.210 nan 0.000 0.446 506 N N 4.777 123.280 118.700 -0.328 0.000 2.448 506 N HA 0.596 5.337 4.740 0.002 0.000 0.279 506 N C -1.113 174.379 175.510 -0.031 0.000 1.025 506 N CA -0.230 52.780 53.050 -0.065 0.000 0.898 506 N CB 2.284 40.863 38.487 0.153 0.000 1.303 506 N HN 0.837 nan 8.380 nan 0.000 0.495 507 G N 0.934 109.795 108.800 0.101 0.000 2.682 507 G HA2 0.768 4.729 3.960 0.002 0.000 0.300 507 G HA3 0.768 4.729 3.960 0.002 0.000 0.300 507 G C -0.573 174.399 174.900 0.119 0.000 1.391 507 G CA -0.308 44.868 45.100 0.126 0.000 0.990 507 G HN 0.779 nan 8.290 nan 0.000 0.501 508 G N 1.051 109.726 108.800 -0.209 0.000 2.361 508 G HA2 0.429 4.390 3.960 0.002 0.000 0.331 508 G HA3 0.429 4.390 3.960 0.002 0.000 0.331 508 G C -3.518 171.222 174.900 -0.266 0.000 1.324 508 G CA -0.598 44.110 45.100 -0.653 0.000 0.984 508 G HN 0.673 nan 8.290 nan 0.000 0.586 509 P HA 0.459 nan 4.420 nan 0.000 0.276 509 P C 0.523 177.951 177.300 0.214 0.000 1.244 509 P CA -0.523 62.710 63.100 0.221 0.000 0.801 509 P CB 1.279 33.181 31.700 0.336 0.000 1.006 510 V N 1.848 121.916 119.914 0.256 0.000 2.901 510 V HA -0.024 4.097 4.120 0.002 0.000 0.307 510 V C 0.296 176.502 176.094 0.186 0.000 1.084 510 V CA 0.974 63.398 62.300 0.207 0.000 1.184 510 V CB -0.960 31.076 31.823 0.355 0.000 0.941 510 V HN 0.683 nan 8.190 nan 0.000 0.493 511 D N 2.301 122.773 120.400 0.120 0.000 2.800 511 D HA -0.127 4.514 4.640 0.002 0.000 0.232 511 D C 0.165 176.528 176.300 0.105 0.000 1.137 511 D CA 1.470 55.528 54.000 0.096 0.000 0.718 511 D CB -1.285 39.584 40.800 0.115 0.000 1.084 511 D HN 1.146 nan 8.370 nan 0.000 0.432 512 T N -5.234 109.383 114.554 0.104 0.000 2.916 512 T HA 0.770 5.121 4.350 0.002 0.000 0.292 512 T C 1.484 176.117 174.700 -0.112 0.000 1.064 512 T CA -0.278 61.869 62.100 0.078 0.000 1.011 512 T CB 2.046 71.074 68.868 0.267 0.000 1.152 512 T HN -0.045 nan 8.240 nan 0.000 0.510 513 A N 0.464 123.064 122.820 -0.368 0.000 1.986 513 A HA 0.034 4.355 4.320 0.002 0.000 0.220 513 A C 1.615 178.905 177.584 -0.491 0.000 1.171 513 A CA 1.492 53.174 52.037 -0.592 0.000 0.640 513 A CB -1.166 17.308 19.000 -0.876 0.000 0.811 513 A HN 0.774 nan 8.150 nan 0.000 0.451 514 F N 0.417 120.319 119.950 -0.079 0.000 2.335 514 F HA -0.026 4.503 4.527 0.002 0.000 0.296 514 F C 2.765 178.604 175.800 0.065 0.000 1.091 514 F CA 1.449 59.373 58.000 -0.126 0.000 1.399 514 F CB -1.074 37.707 39.000 -0.365 0.000 1.067 514 F HN 0.315 nan 8.300 nan 0.000 0.520 515 T N -3.320 111.378 114.554 0.240 0.000 2.852 515 T HA 0.415 4.766 4.350 0.002 0.000 0.256 515 T C 1.968 176.965 174.700 0.495 0.000 1.038 515 T CA 1.114 63.395 62.100 0.302 0.000 1.141 515 T CB -0.342 68.619 68.868 0.154 0.000 0.869 515 T HN 0.375 nan 8.240 nan 0.000 0.439 516 G N 0.304 109.244 108.800 0.233 0.000 2.551 516 G HA2 0.346 4.308 3.960 0.002 0.000 0.186 516 G HA3 0.346 4.308 3.960 0.002 0.000 0.186 516 G C 0.916 175.700 174.900 -0.192 0.000 1.002 516 G CA 0.360 45.439 45.100 -0.034 0.000 0.723 516 G HN 1.438 nan 8.290 nan 0.000 0.481 517 G N 0.738 109.531 108.800 -0.012 0.000 2.552 517 G HA2 -0.249 3.712 3.960 0.002 0.000 0.265 517 G HA3 -0.249 3.712 3.960 0.002 0.000 0.265 517 G C 0.470 175.298 174.900 -0.120 0.000 1.234 517 G CA 0.874 45.939 45.100 -0.058 0.000 0.944 517 G HN 0.649 nan 8.290 nan 0.000 0.568 518 D N -0.087 120.210 120.400 -0.172 0.000 2.351 518 D HA 0.000 4.641 4.640 0.002 0.000 0.216 518 D C 2.390 178.490 176.300 -0.334 0.000 0.968 518 D CA 1.014 54.882 54.000 -0.219 0.000 0.899 518 D CB -0.161 40.526 40.800 -0.187 0.000 0.907 518 D HN 0.479 nan 8.370 nan 0.000 0.514 519 V N -0.658 118.971 119.914 -0.474 0.000 2.660 519 V HA -0.223 3.898 4.120 0.002 0.000 0.257 519 V C 1.330 176.996 176.094 -0.714 0.000 1.088 519 V CA 1.438 63.328 62.300 -0.684 0.000 1.106 519 V CB -0.468 30.707 31.823 -1.080 0.000 0.686 519 V HN 0.340 nan 8.190 nan 0.000 0.481 520 W N 0.154 121.180 121.300 -0.457 0.000 2.937 520 W HA 0.021 4.682 4.660 0.002 0.000 0.245 520 W C 2.246 178.530 176.519 -0.393 0.000 1.306 520 W CA 0.872 57.995 57.345 -0.370 0.000 1.470 520 W CB -0.226 29.050 29.460 -0.305 0.000 1.132 520 W HN 0.443 nan 8.180 nan 0.000 0.675 521 T N -3.213 111.118 114.554 -0.372 0.000 3.086 521 T HA 0.049 4.400 4.350 0.002 0.000 0.250 521 T C 0.564 175.016 174.700 -0.412 0.000 1.074 521 T CA -0.287 61.370 62.100 -0.739 0.000 0.988 521 T CB -0.304 67.826 68.868 -1.229 0.000 0.988 521 T HN -0.147 nan 8.240 nan 0.000 0.530 522 N N 3.228 121.750 118.700 -0.297 0.000 2.401 522 N HA 0.191 4.932 4.740 0.002 0.000 0.255 522 N C -1.479 173.955 175.510 -0.126 0.000 1.110 522 N CA -2.213 50.710 53.050 -0.211 0.000 0.949 522 N CB 1.746 40.079 38.487 -0.257 0.000 1.110 522 N HN 0.058 nan 8.380 nan 0.000 0.490 523 P HA -0.216 nan 4.420 nan 0.000 0.216 523 P C 1.088 178.378 177.300 -0.016 0.000 1.153 523 P CA 1.323 64.422 63.100 -0.002 0.000 0.858 523 P CB 0.478 32.188 31.700 0.017 0.000 0.789 524 K N -0.689 119.682 120.400 -0.048 0.000 2.097 524 K HA -0.150 4.171 4.320 0.002 0.000 0.206 524 K C 2.138 178.702 176.600 -0.059 0.000 1.049 524 K CA 0.877 57.136 56.287 -0.048 0.000 0.933 524 K CB -0.533 31.928 32.500 -0.065 0.000 0.717 524 K HN -0.008 nan 8.250 nan 0.000 0.442 525 L N 0.750 121.905 121.223 -0.113 0.000 2.027 525 L HA -0.138 4.204 4.340 0.002 0.000 0.206 525 L C 1.986 178.837 176.870 -0.033 0.000 1.074 525 L CA 1.438 56.186 54.840 -0.154 0.000 0.745 525 L CB -0.471 41.357 42.059 -0.384 0.000 0.898 525 L HN -0.076 nan 8.230 nan 0.000 0.433 526 V N -0.197 119.735 119.914 0.030 0.000 2.343 526 V HA -0.291 3.830 4.120 0.002 0.000 0.247 526 V C 2.529 178.677 176.094 0.091 0.000 1.051 526 V CA 1.995 64.369 62.300 0.124 0.000 1.036 526 V CB -0.616 31.284 31.823 0.128 0.000 0.654 526 V HN 0.496 nan 8.190 nan 0.000 0.451 527 E N -0.076 120.162 120.200 0.063 0.000 2.038 527 E HA -0.208 4.143 4.350 0.002 0.000 0.195 527 E C 2.316 178.966 176.600 0.084 0.000 1.000 527 E CA 2.076 58.517 56.400 0.068 0.000 0.803 527 E CB -0.360 29.366 29.700 0.043 0.000 0.750 527 E HN 0.599 nan 8.360 nan 0.000 0.448 528 T N 0.544 115.134 114.554 0.061 0.000 2.652 528 T HA -0.157 4.194 4.350 0.002 0.000 0.267 528 T C 2.074 176.854 174.700 0.134 0.000 1.039 528 T CA 1.438 63.580 62.100 0.071 0.000 1.153 528 T CB -0.345 68.528 68.868 0.009 0.000 0.863 528 T HN -0.032 nan 8.240 nan 0.000 0.428 529 V N 1.410 121.398 119.914 0.123 0.000 2.295 529 V HA -0.180 3.941 4.120 0.002 0.000 0.246 529 V C 2.661 178.896 176.094 0.234 0.000 1.049 529 V CA 1.632 64.043 62.300 0.185 0.000 1.024 529 V CB -0.627 31.274 31.823 0.129 0.000 0.648 529 V HN 0.362 nan 8.190 nan 0.000 0.447 530 R N 0.171 120.765 120.500 0.157 0.000 2.094 530 R HA -0.208 4.133 4.340 0.002 0.000 0.239 530 R C 2.468 178.948 176.300 0.301 0.000 1.137 530 R CA 1.764 58.001 56.100 0.229 0.000 0.943 530 R CB -0.759 29.671 30.300 0.216 0.000 0.850 530 R HN 0.541 nan 8.270 nan 0.000 0.433 531 A N 0.141 123.095 122.820 0.224 0.000 1.940 531 A HA -0.216 4.105 4.320 0.002 0.000 0.219 531 A C 1.904 179.621 177.584 0.222 0.000 1.176 531 A CA 1.375 53.521 52.037 0.182 0.000 0.631 531 A CB -0.830 18.255 19.000 0.141 0.000 0.814 531 A HN 0.651 nan 8.150 nan 0.000 0.446 532 W N 0.509 121.858 121.300 0.082 0.000 2.381 532 W HA -0.125 4.536 4.660 0.002 0.000 0.301 532 W C 1.930 178.510 176.519 0.103 0.000 1.205 532 W CA 2.010 59.401 57.345 0.077 0.000 1.285 532 W CB -0.281 29.222 29.460 0.071 0.000 1.133 532 W HN 0.094 nan 8.180 nan 0.000 0.521 533 V N 1.171 121.205 119.914 0.200 0.000 2.295 533 V HA -0.305 3.816 4.120 0.002 0.000 0.246 533 V C 2.394 178.518 176.094 0.050 0.000 1.049 533 V CA 2.370 64.689 62.300 0.031 0.000 1.024 533 V CB -1.084 30.861 31.823 0.204 0.000 0.648 533 V HN 0.060 nan 8.190 nan 0.000 0.447 534 R N 0.919 121.524 120.500 0.175 0.000 2.127 534 R HA -0.114 4.227 4.340 0.002 0.000 0.238 534 R C 1.986 178.253 176.300 -0.054 0.000 1.134 534 R CA 1.483 57.604 56.100 0.035 0.000 0.975 534 R CB -0.864 29.414 30.300 -0.036 0.000 0.865 534 R HN 0.542 nan 8.270 nan 0.000 0.447 535 G N -2.468 106.285 108.800 -0.079 0.000 3.088 535 G HA2 0.286 4.247 3.960 0.002 0.000 0.212 535 G HA3 0.286 4.247 3.960 0.002 0.000 0.212 535 G C 0.639 175.413 174.900 -0.211 0.000 1.173 535 G CA 0.303 45.331 45.100 -0.120 0.000 0.779 535 G HN 0.525 nan 8.290 nan 0.000 0.540 536 G N -1.617 107.023 108.800 -0.268 0.000 2.205 536 G HA2 0.035 3.996 3.960 0.002 0.000 0.180 536 G HA3 0.035 3.996 3.960 0.002 0.000 0.180 536 G C 0.728 175.341 174.900 -0.479 0.000 1.004 536 G CA 0.055 44.981 45.100 -0.291 0.000 0.670 536 G HN 0.874 nan 8.290 nan 0.000 0.496 537 G N -0.112 108.130 108.800 -0.930 0.000 2.651 537 G HA2 0.693 4.654 3.960 0.002 0.000 0.260 537 G HA3 0.693 4.654 3.960 0.002 0.000 0.260 537 G C 0.166 174.690 174.900 -0.626 0.000 1.216 537 G CA 0.527 44.650 45.100 -1.629 0.000 0.913 537 G HN 1.578 nan 8.290 nan 0.000 0.535 538 A N -0.461 122.184 122.820 -0.291 0.000 2.343 538 A HA 0.641 4.962 4.320 0.002 0.000 0.308 538 A C -1.489 176.304 177.584 0.349 0.000 1.092 538 A CA -0.569 51.514 52.037 0.077 0.000 0.751 538 A CB 1.223 20.251 19.000 0.048 0.000 1.203 538 A HN 0.760 nan 8.150 nan 0.000 0.452 539 F N 3.463 123.502 119.950 0.148 0.000 2.402 539 F HA 0.601 5.129 4.527 0.002 0.000 0.355 539 F C -0.794 175.049 175.800 0.072 0.000 1.123 539 F CA -0.565 57.525 58.000 0.149 0.000 1.021 539 F CB 1.671 40.741 39.000 0.117 0.000 1.160 539 F HN 0.323 nan 8.300 nan 0.000 0.451 540 V N 5.655 125.278 119.914 -0.485 0.000 2.384 540 V HA 0.662 4.783 4.120 0.002 0.000 0.287 540 V C 0.261 176.004 176.094 -0.584 0.000 1.020 540 V CA -0.605 61.485 62.300 -0.349 0.000 0.850 540 V CB 1.231 32.944 31.823 -0.183 0.000 0.987 540 V HN 0.935 nan 8.190 nan 0.000 0.436 541 G N 3.643 112.247 108.800 -0.326 0.000 2.416 541 G HA2 0.640 4.601 3.960 0.002 0.000 0.324 541 G HA3 0.640 4.601 3.960 0.002 0.000 0.324 541 G C -1.168 173.627 174.900 -0.175 0.000 1.194 541 G CA -0.438 44.520 45.100 -0.236 0.000 0.922 541 G HN 0.548 nan 8.290 nan 0.000 0.467 542 V N 2.357 122.185 119.914 -0.143 0.000 2.540 542 V HA 0.817 4.938 4.120 0.002 0.000 0.302 542 V C 1.109 177.246 176.094 0.071 0.000 1.035 542 V CA 0.675 62.905 62.300 -0.117 0.000 0.873 542 V CB 0.631 32.426 31.823 -0.047 0.000 0.992 542 V HN 1.633 nan 8.190 nan 0.000 0.428 543 G N 4.671 113.514 108.800 0.072 0.000 3.377 543 G HA2 -0.240 3.721 3.960 0.002 0.000 0.304 543 G HA3 -0.240 3.721 3.960 0.002 0.000 0.304 543 G C 0.188 175.267 174.900 0.300 0.000 1.366 543 G CA 0.535 45.823 45.100 0.313 0.000 1.020 543 G HN 0.731 nan 8.290 nan 0.000 0.621 544 E N 2.093 122.371 120.200 0.129 0.000 4.052 544 E HA 0.290 4.642 4.350 0.002 0.000 0.219 544 E C -2.731 173.628 176.600 -0.402 0.000 1.166 544 E CA -1.521 54.846 56.400 -0.055 0.000 1.338 544 E CB 2.201 32.103 29.700 0.337 0.000 1.212 544 E HN 0.439 nan 8.360 nan 0.000 0.432 545 P HA -0.079 nan 4.420 nan 0.000 0.271 545 P C 0.462 177.366 177.300 -0.660 0.000 1.216 545 P CA 0.467 63.313 63.100 -0.425 0.000 0.776 545 P CB 1.116 32.664 31.700 -0.252 0.000 0.881 546 S N 0.270 115.472 115.700 -0.830 0.000 3.521 546 S HA -0.190 4.281 4.470 0.002 0.000 0.328 546 S C 0.199 174.217 174.600 -0.970 0.000 1.165 546 S CA 0.868 57.989 58.200 -1.798 0.000 0.941 546 S CB -3.081 59.051 63.200 -1.780 0.000 0.951 546 S HN 0.765 nan 8.310 nan 0.000 0.539 547 S N 0.293 115.644 115.700 -0.582 0.000 2.545 547 S HA 0.747 5.218 4.470 0.002 0.000 0.275 547 S C -0.015 174.329 174.600 -0.426 0.000 1.299 547 S CA -0.207 57.667 58.200 -0.544 0.000 1.048 547 S CB 1.560 64.403 63.200 -0.596 0.000 0.938 547 S HN 1.910 nan 8.310 nan 0.000 0.496 548 A N 3.667 126.215 122.820 -0.453 0.000 2.411 548 A HA 0.719 5.040 4.320 0.002 0.000 0.285 548 A C -3.082 174.483 177.584 -0.032 0.000 1.129 548 A CA -1.806 50.134 52.037 -0.161 0.000 0.736 548 A CB 0.936 19.898 19.000 -0.064 0.000 1.186 548 A HN 0.623 nan 8.150 nan 0.000 0.445 549 P HA 0.365 nan 4.420 nan 0.000 0.275 549 P C 0.547 178.007 177.300 0.266 0.000 1.227 549 P CA -0.069 63.244 63.100 0.355 0.000 0.781 549 P CB 0.644 32.534 31.700 0.318 0.000 0.906 550 R N -0.208 120.455 120.500 0.272 0.000 3.902 550 R HA -0.285 4.056 4.340 0.002 0.000 0.445 550 R C 1.426 177.841 176.300 0.193 0.000 0.709 550 R CA 1.369 57.583 56.100 0.190 0.000 1.607 550 R CB -2.350 28.036 30.300 0.144 0.000 2.233 550 R HN 0.420 nan 8.270 nan 0.000 0.430 551 F N 2.105 122.096 119.950 0.069 0.000 2.091 551 F HA -0.152 4.376 4.527 0.002 0.000 0.299 551 F C 0.884 176.709 175.800 0.041 0.000 1.103 551 F CA 1.955 59.981 58.000 0.042 0.000 1.228 551 F CB 0.143 39.161 39.000 0.030 0.000 0.984 551 F HN 0.115 nan 8.300 nan 0.000 0.477 552 Q N -0.698 119.094 119.800 -0.014 0.000 2.304 552 Q HA 0.184 4.525 4.340 0.002 0.000 0.270 552 Q C 0.798 176.803 176.000 0.009 0.000 1.035 552 Q CA -0.120 55.613 55.803 -0.116 0.000 0.781 552 Q CB 1.894 30.587 28.738 -0.074 0.000 1.261 552 Q HN -0.034 nan 8.270 nan 0.000 0.444 553 T N 1.113 115.656 114.554 -0.018 0.000 2.759 553 T HA -0.137 4.214 4.350 0.002 0.000 0.269 553 T C 1.331 176.044 174.700 0.022 0.000 1.042 553 T CA 1.828 63.935 62.100 0.011 0.000 1.140 553 T CB -0.001 68.861 68.868 -0.010 0.000 0.864 553 T HN 0.822 nan 8.240 nan 0.000 0.455 554 G N 0.040 108.847 108.800 0.011 0.000 3.337 554 G HA2 0.306 4.267 3.960 0.002 0.000 0.246 554 G HA3 0.306 4.267 3.960 0.002 0.000 0.246 554 G C 0.305 175.230 174.900 0.041 0.000 1.131 554 G CA -0.358 44.754 45.100 0.020 0.000 0.773 554 G HN 0.151 nan 8.290 nan 0.000 0.544 555 R N -0.493 120.044 120.500 0.063 0.000 2.605 555 R HA 0.409 4.750 4.340 0.002 0.000 0.291 555 R C -0.822 175.565 176.300 0.146 0.000 1.226 555 R CA -1.197 54.945 56.100 0.070 0.000 0.981 555 R CB 0.064 30.393 30.300 0.049 0.000 1.215 555 R HN -0.030 nan 8.270 nan 0.000 0.428 556 F N 3.732 123.640 119.950 -0.070 0.000 2.222 556 F HA 0.393 4.921 4.527 0.002 0.000 0.285 556 F C 0.011 175.866 175.800 0.092 0.000 1.068 556 F CA 0.408 58.390 58.000 -0.031 0.000 1.265 556 F CB 0.230 39.142 39.000 -0.147 0.000 1.087 556 F HN 0.355 nan 8.300 nan 0.000 0.511 557 F N 2.768 122.642 119.950 -0.126 0.000 2.502 557 F HA 0.179 4.707 4.527 0.002 0.000 0.371 557 F C 1.544 177.197 175.800 -0.245 0.000 1.083 557 F CA -0.929 56.902 58.000 -0.282 0.000 1.174 557 F CB 0.024 38.895 39.000 -0.215 0.000 1.096 557 F HN 0.125 nan 8.300 nan 0.000 0.545 558 Q N 2.647 122.362 119.800 -0.142 0.000 2.119 558 Q HA -0.046 4.295 4.340 0.002 0.000 0.201 558 Q C 1.607 177.525 176.000 -0.136 0.000 0.972 558 Q CA 1.189 56.938 55.803 -0.091 0.000 0.847 558 Q CB -0.084 28.626 28.738 -0.047 0.000 0.903 558 Q HN 0.657 nan 8.270 nan 0.000 0.433 559 L N 0.671 121.712 121.223 -0.303 0.000 2.737 559 L HA 0.216 4.557 4.340 0.002 0.000 0.236 559 L C 1.663 178.413 176.870 -0.199 0.000 1.219 559 L CA -0.192 54.452 54.840 -0.328 0.000 1.021 559 L CB -0.420 41.254 42.059 -0.642 0.000 1.291 559 L HN 0.023 nan 8.230 nan 0.000 0.470 560 A N 1.060 123.837 122.820 -0.072 0.000 1.948 560 A HA -0.262 4.059 4.320 0.002 0.000 0.220 560 A C 2.093 179.632 177.584 -0.075 0.000 1.177 560 A CA 2.111 54.127 52.037 -0.036 0.000 0.636 560 A CB -0.310 18.649 19.000 -0.069 0.000 0.815 560 A HN 0.652 nan 8.150 nan 0.000 0.449 561 D N 0.015 120.372 120.400 -0.071 0.000 2.144 561 D HA -0.115 4.526 4.640 0.002 0.000 0.199 561 D C 1.809 178.049 176.300 -0.100 0.000 0.984 561 D CA 1.626 55.620 54.000 -0.010 0.000 0.834 561 D CB -0.925 39.929 40.800 0.090 0.000 0.955 561 D HN 0.257 nan 8.370 nan 0.000 0.465 562 V N 1.832 121.515 119.914 -0.385 0.000 2.307 562 V HA -0.188 3.933 4.120 0.002 0.000 0.245 562 V C 2.646 178.621 176.094 -0.197 0.000 1.045 562 V CA 1.914 63.818 62.300 -0.660 0.000 1.024 562 V CB -0.569 30.797 31.823 -0.761 0.000 0.651 562 V HN 0.415 nan 8.190 nan 0.000 0.449 563 I N -2.211 118.318 120.570 -0.068 0.000 3.603 563 I HA 0.441 4.612 4.170 0.002 0.000 0.297 563 I C 1.516 177.656 176.117 0.038 0.000 1.269 563 I CA 1.015 62.353 61.300 0.063 0.000 1.361 563 I CB 0.100 38.205 38.000 0.175 0.000 1.063 563 I HN 0.401 nan 8.210 nan 0.000 0.448 564 G N 1.567 110.356 108.800 -0.019 0.000 2.157 564 G HA2 -0.186 3.776 3.960 0.002 0.000 0.239 564 G HA3 -0.186 3.776 3.960 0.002 0.000 0.239 564 G C 0.002 174.814 174.900 -0.147 0.000 0.982 564 G CA 0.101 45.173 45.100 -0.047 0.000 0.650 564 G HN 0.371 nan 8.290 nan 0.000 0.527 565 V N 0.040 119.840 119.914 -0.190 0.000 2.841 565 V HA 0.795 4.916 4.120 0.002 0.000 0.310 565 V C -0.582 175.265 176.094 -0.412 0.000 1.090 565 V CA -0.676 61.391 62.300 -0.388 0.000 0.930 565 V CB 2.134 33.649 31.823 -0.514 0.000 1.014 565 V HN 0.270 nan 8.190 nan 0.000 0.425 566 D N 1.334 121.239 120.400 -0.826 0.000 2.566 566 D HA 0.429 5.070 4.640 0.002 0.000 0.254 566 D C -1.078 174.544 176.300 -1.130 0.000 1.090 566 D CA -0.541 52.847 54.000 -1.020 0.000 1.034 566 D CB 2.648 42.995 40.800 -0.755 0.000 1.434 566 D HN 0.678 nan 8.370 nan 0.000 0.509 567 E N 0.931 120.478 120.200 -1.088 0.000 2.151 567 E HA 0.255 4.606 4.350 0.002 0.000 0.275 567 E C -0.998 175.451 176.600 -0.252 0.000 0.936 567 E CA -0.632 55.440 56.400 -0.546 0.000 0.777 567 E CB 1.217 30.640 29.700 -0.462 0.000 1.108 567 E HN 0.280 nan 8.360 nan 0.000 0.401 568 E N 3.442 123.602 120.200 -0.066 0.000 2.324 568 E HA 0.010 4.361 4.350 0.002 0.000 0.271 568 E C -0.280 176.088 176.600 -0.387 0.000 1.028 568 E CA 0.149 56.444 56.400 -0.174 0.000 0.890 568 E CB 0.556 30.098 29.700 -0.263 0.000 1.004 568 E HN 0.361 nan 8.360 nan 0.000 0.431 569 R N 4.158 124.456 120.500 -0.336 0.000 2.613 569 R HA 0.101 4.442 4.340 0.002 0.000 0.361 569 R C -0.378 175.945 176.300 0.038 0.000 1.072 569 R CA -0.400 55.564 56.100 -0.227 0.000 1.089 569 R CB -0.615 29.492 30.300 -0.321 0.000 1.343 569 R HN 0.825 nan 8.270 nan 0.000 0.571 570 Y N -0.716 119.519 120.300 -0.109 0.000 4.798 570 Y HA -0.309 4.242 4.550 0.002 0.000 0.237 570 Y C 1.424 177.282 175.900 -0.070 0.000 1.017 570 Y CA 0.776 58.827 58.100 -0.082 0.000 2.010 570 Y CB -1.475 36.943 38.460 -0.070 0.000 1.582 570 Y HN 0.106 nan 8.280 nan 0.000 0.621 571 Q N -0.246 119.560 119.800 0.010 0.000 2.376 571 Q HA 0.100 4.441 4.340 0.002 0.000 0.206 571 Q C 1.566 177.545 176.000 -0.034 0.000 0.921 571 Q CA 1.562 57.365 55.803 -0.001 0.000 0.911 571 Q CB 0.100 28.838 28.738 0.001 0.000 1.032 571 Q HN 0.682 nan 8.270 nan 0.000 0.510 572 T N -2.584 111.923 114.554 -0.079 0.000 3.331 572 T HA 0.398 4.749 4.350 0.002 0.000 0.282 572 T C 1.181 175.792 174.700 -0.148 0.000 1.010 572 T CA -0.205 61.832 62.100 -0.105 0.000 0.928 572 T CB -0.363 68.436 68.868 -0.115 0.000 1.154 572 T HN 0.002 nan 8.240 nan 0.000 0.516 573 L N 0.274 121.427 121.223 -0.116 0.000 2.478 573 L HA 0.117 4.458 4.340 0.002 0.000 0.223 573 L C 2.354 179.161 176.870 -0.104 0.000 1.140 573 L CA 0.383 55.148 54.840 -0.125 0.000 0.842 573 L CB -0.295 41.721 42.059 -0.072 0.000 0.953 573 L HN 0.338 nan 8.230 nan 0.000 0.452 574 S N -0.802 114.849 115.700 -0.082 0.000 2.496 574 S HA 0.036 4.507 4.470 0.002 0.000 0.224 574 S C 0.832 175.384 174.600 -0.081 0.000 0.996 574 S CA 0.070 58.230 58.200 -0.067 0.000 0.927 574 S CB 0.179 63.353 63.200 -0.043 0.000 0.774 574 S HN 0.066 nan 8.310 nan 0.000 0.524 575 V N 3.890 123.737 119.914 -0.112 0.000 2.372 575 V HA 0.148 4.269 4.120 0.002 0.000 0.261 575 V C 0.088 176.064 176.094 -0.197 0.000 1.055 575 V CA -0.879 61.346 62.300 -0.125 0.000 0.930 575 V CB 0.406 32.155 31.823 -0.123 0.000 1.031 575 V HN 0.297 nan 8.190 nan 0.000 0.479 576 D N 5.238 125.527 120.400 -0.184 0.000 2.493 576 D HA 0.055 4.696 4.640 0.002 0.000 0.240 576 D C 0.028 176.049 176.300 -0.466 0.000 1.142 576 D CA 0.276 54.066 54.000 -0.349 0.000 0.872 576 D CB 0.953 41.518 40.800 -0.392 0.000 1.173 576 D HN 0.358 nan 8.370 nan 0.000 0.467 577 K N 2.831 122.943 120.400 -0.481 0.000 2.211 577 K HA 0.263 4.585 4.320 0.002 0.000 0.275 577 K C -0.622 175.818 176.600 -0.266 0.000 1.024 577 K CA -0.590 55.510 56.287 -0.312 0.000 0.887 577 K CB 0.751 33.143 32.500 -0.180 0.000 1.084 577 K HN 0.330 nan 8.250 nan 0.000 0.463 578 Y N 2.227 122.620 120.300 0.156 0.000 2.334 578 Y HA 0.337 4.888 4.550 0.002 0.000 0.336 578 Y C -0.100 175.943 175.900 0.238 0.000 0.960 578 Y CA -0.785 57.435 58.100 0.202 0.000 1.164 578 Y CB 0.844 39.351 38.460 0.078 0.000 1.155 578 Y HN 0.386 nan 8.280 nan 0.000 0.478 579 F N 5.899 125.914 119.950 0.109 0.000 2.410 579 F HA 0.408 4.937 4.527 0.002 0.000 0.349 579 F C -1.861 173.923 175.800 -0.025 0.000 1.117 579 F CA -2.437 55.589 58.000 0.044 0.000 1.104 579 F CB 1.095 40.113 39.000 0.030 0.000 1.122 579 F HN 0.316 nan 8.300 nan 0.000 0.483 580 P HA 0.167 nan 4.420 nan 0.000 0.274 580 P C -2.680 174.568 177.300 -0.085 0.000 1.237 580 P CA -1.625 61.473 63.100 -0.003 0.000 0.793 580 P CB 0.085 31.794 31.700 0.015 0.000 0.977 581 P HA -0.028 nan 4.420 nan 0.000 0.265 581 P C -0.103 177.258 177.300 0.103 0.000 1.187 581 P CA 0.281 63.212 63.100 -0.283 0.000 0.766 581 P CB 0.128 31.770 31.700 -0.096 0.000 0.820 582 V N 4.074 124.210 119.914 0.370 0.000 2.811 582 V HA 0.015 4.136 4.120 0.002 0.000 0.302 582 V C 0.523 176.832 176.094 0.359 0.000 1.063 582 V CA 0.047 62.576 62.300 0.382 0.000 1.088 582 V CB 1.122 33.234 31.823 0.481 0.000 0.982 582 V HN 0.214 nan 8.190 nan 0.000 0.485 583 V N 7.483 127.521 119.914 0.206 0.000 2.294 583 V HA 0.241 4.362 4.120 0.002 0.000 0.272 583 V C -1.415 174.745 176.094 0.110 0.000 1.027 583 V CA -0.918 61.491 62.300 0.182 0.000 0.823 583 V CB 1.179 33.100 31.823 0.163 0.000 1.030 583 V HN 0.867 nan 8.190 nan 0.000 0.457 584 P HA 0.063 nan 4.420 nan 0.000 0.227 584 P C 0.069 177.378 177.300 0.014 0.000 1.161 584 P CA 0.591 63.669 63.100 -0.037 0.000 0.788 584 P CB 0.372 32.000 31.700 -0.120 0.000 0.822 585 D N 0.640 121.083 120.400 0.070 0.000 2.443 585 D HA 0.207 4.848 4.640 0.002 0.000 0.221 585 D C -0.237 176.122 176.300 0.098 0.000 1.097 585 D CA 0.254 54.290 54.000 0.059 0.000 0.865 585 D CB 0.508 41.340 40.800 0.053 0.000 1.034 585 D HN 0.187 nan 8.370 nan 0.000 0.511 586 H N 1.463 120.512 119.070 -0.034 0.000 3.012 586 H HA 0.036 4.593 4.556 0.002 0.000 0.367 586 H C 0.251 175.549 175.328 -0.049 0.000 1.211 586 H CA -0.689 55.337 56.048 -0.037 0.000 1.139 586 H CB 1.462 31.172 29.762 -0.087 0.000 1.838 586 H HN 0.196 nan 8.280 nan 0.000 0.550 587 F N 3.394 123.138 119.950 -0.344 0.000 2.085 587 F HA -0.259 4.269 4.527 0.002 0.000 0.299 587 F C 1.826 177.581 175.800 -0.075 0.000 1.096 587 F CA 2.223 60.111 58.000 -0.186 0.000 1.227 587 F CB -0.202 38.693 39.000 -0.175 0.000 0.983 587 F HN 0.569 nan 8.300 nan 0.000 0.482 588 I N -0.278 120.424 120.570 0.221 0.000 2.315 588 I HA -0.252 3.919 4.170 0.002 0.000 0.248 588 I C 1.956 177.997 176.117 -0.128 0.000 1.117 588 I CA 1.768 63.063 61.300 -0.008 0.000 1.404 588 I CB -0.623 37.330 38.000 -0.079 0.000 1.071 588 I HN 0.288 nan 8.210 nan 0.000 0.419 589 T N -1.688 112.815 114.554 -0.085 0.000 3.163 589 T HA 0.356 4.707 4.350 0.002 0.000 0.252 589 T C 1.628 176.249 174.700 -0.132 0.000 1.056 589 T CA 0.334 62.372 62.100 -0.104 0.000 0.947 589 T CB 0.261 69.087 68.868 -0.070 0.000 1.016 589 T HN 0.241 nan 8.240 nan 0.000 0.554 590 A N 2.265 124.966 122.820 -0.197 0.000 1.978 590 A HA -0.091 4.230 4.320 0.002 0.000 0.220 590 A C 1.951 179.435 177.584 -0.167 0.000 1.170 590 A CA 1.343 53.262 52.037 -0.198 0.000 0.636 590 A CB -0.407 18.409 19.000 -0.307 0.000 0.810 590 A HN 0.450 nan 8.150 nan 0.000 0.448 591 D N -0.475 119.818 120.400 -0.179 0.000 2.340 591 D HA 0.182 4.823 4.640 0.002 0.000 0.217 591 D C -0.100 176.134 176.300 -0.110 0.000 1.081 591 D CA 0.064 53.986 54.000 -0.130 0.000 0.842 591 D CB 0.288 41.016 40.800 -0.120 0.000 0.934 591 D HN 0.143 nan 8.370 nan 0.000 0.511 592 V N 2.764 122.610 119.914 -0.114 0.000 2.521 592 V HA 0.097 4.218 4.120 0.002 0.000 0.286 592 V C -1.880 174.161 176.094 -0.089 0.000 1.034 592 V CA -1.233 61.002 62.300 -0.109 0.000 1.045 592 V CB 0.554 32.308 31.823 -0.115 0.000 0.974 592 V HN -0.047 nan 8.190 nan 0.000 0.480 593 P HA 0.116 nan 4.420 nan 0.000 0.262 593 P C -0.482 176.781 177.300 -0.061 0.000 1.199 593 P CA 0.017 63.078 63.100 -0.065 0.000 0.763 593 P CB 0.288 31.950 31.700 -0.063 0.000 0.790 594 V N 3.395 123.280 119.914 -0.049 0.000 2.583 594 V HA 0.136 4.257 4.120 0.002 0.000 0.287 594 V C 0.611 176.687 176.094 -0.030 0.000 1.051 594 V CA 0.087 62.362 62.300 -0.041 0.000 1.010 594 V CB 1.049 32.854 31.823 -0.029 0.000 0.988 594 V HN 0.503 nan 8.190 nan 0.000 0.478 595 D N 5.938 126.321 120.400 -0.028 0.000 2.477 595 D HA 0.367 5.008 4.640 0.002 0.000 0.239 595 D C -1.836 174.466 176.300 0.002 0.000 1.102 595 D CA -2.216 51.775 54.000 -0.014 0.000 0.901 595 D CB 2.079 42.868 40.800 -0.019 0.000 1.026 595 D HN 0.187 nan 8.370 nan 0.000 0.515 596 P HA -0.067 nan 4.420 nan 0.000 0.219 596 P C 0.979 178.301 177.300 0.036 0.000 1.146 596 P CA 0.888 64.003 63.100 0.026 0.000 0.808 596 P CB 0.350 32.061 31.700 0.019 0.000 0.779 597 A N -0.198 122.637 122.820 0.026 0.000 1.929 597 A HA 0.054 4.375 4.320 0.002 0.000 0.216 597 A C 2.266 179.876 177.584 0.044 0.000 1.176 597 A CA 1.611 53.666 52.037 0.030 0.000 0.628 597 A CB -1.367 17.645 19.000 0.019 0.000 0.816 597 A HN 0.192 nan 8.150 nan 0.000 0.444 598 A N 0.058 122.902 122.820 0.039 0.000 1.855 598 A HA -0.110 4.211 4.320 0.002 0.000 0.215 598 A C 2.207 179.857 177.584 0.109 0.000 1.191 598 A CA 1.721 53.790 52.037 0.053 0.000 0.613 598 A CB -0.498 18.510 19.000 0.014 0.000 0.829 598 A HN 0.508 nan 8.150 nan 0.000 0.442 599 R N 0.517 121.074 120.500 0.095 0.000 2.105 599 R HA -0.210 4.131 4.340 0.002 0.000 0.239 599 R C 2.186 178.648 176.300 0.270 0.000 1.135 599 R CA 2.053 58.265 56.100 0.188 0.000 0.967 599 R CB -0.330 30.039 30.300 0.116 0.000 0.861 599 R HN 0.812 nan 8.270 nan 0.000 0.442 600 E N -0.474 119.814 120.200 0.146 0.000 2.107 600 E HA -0.112 4.239 4.350 0.002 0.000 0.191 600 E C 1.856 178.498 176.600 0.071 0.000 0.982 600 E CA 0.964 57.422 56.400 0.095 0.000 0.809 600 E CB -0.259 29.473 29.700 0.053 0.000 0.756 600 E HN 0.369 nan 8.360 nan 0.000 0.459 601 A N 1.413 124.284 122.820 0.085 0.000 1.877 601 A HA -0.175 4.146 4.320 0.002 0.000 0.216 601 A C 1.960 179.588 177.584 0.073 0.000 1.186 601 A CA 1.425 53.499 52.037 0.061 0.000 0.620 601 A CB -1.352 17.687 19.000 0.064 0.000 0.822 601 A HN 0.679 nan 8.150 nan 0.000 0.443 602 W N 0.922 122.192 121.300 -0.051 0.000 2.317 602 W HA -0.223 4.438 4.660 0.001 0.000 0.318 602 W C 1.942 178.385 176.519 -0.127 0.000 1.227 602 W CA 2.172 59.469 57.345 -0.079 0.000 1.269 602 W CB -0.413 29.016 29.460 -0.051 0.000 1.155 602 W HN 0.474 nan 8.180 nan 0.000 0.484 603 E N -0.469 119.567 120.200 -0.273 0.000 2.085 603 E HA -0.302 4.049 4.350 0.002 0.000 0.194 603 E C 2.272 178.645 176.600 -0.378 0.000 0.994 603 E CA 1.605 57.701 56.400 -0.506 0.000 0.801 603 E CB -0.311 29.295 29.700 -0.157 0.000 0.743 603 E HN 0.288 nan 8.360 nan 0.000 0.453 604 Q N -0.184 119.492 119.800 -0.206 0.000 2.046 604 Q HA -0.099 4.242 4.340 0.002 0.000 0.200 604 Q C 2.198 178.087 176.000 -0.185 0.000 0.975 604 Q CA 1.505 57.217 55.803 -0.152 0.000 0.836 604 Q CB -0.415 28.276 28.738 -0.078 0.000 0.896 604 Q HN 0.276 nan 8.270 nan 0.000 0.428 605 A N 0.177 122.878 122.820 -0.199 0.000 1.969 605 A HA 0.163 4.484 4.320 0.002 0.000 0.218 605 A C 1.286 178.706 177.584 -0.274 0.000 1.169 605 A CA 1.528 53.453 52.037 -0.186 0.000 0.635 605 A CB -0.844 18.075 19.000 -0.135 0.000 0.810 605 A HN 0.473 nan 8.150 nan 0.000 0.445 606 G N -1.949 106.561 108.800 -0.483 0.000 2.601 606 G HA2 -0.224 3.737 3.960 0.002 0.000 0.261 606 G HA3 -0.224 3.737 3.960 0.002 0.000 0.261 606 G C -0.300 174.241 174.900 -0.599 0.000 1.289 606 G CA 0.301 45.017 45.100 -0.639 0.000 0.920 606 G HN 0.646 nan 8.290 nan 0.000 0.571 607 Y N 0.433 120.654 120.300 -0.133 0.000 2.420 607 Y HA 0.636 5.188 4.550 0.002 0.000 0.334 607 Y C 1.368 177.236 175.900 -0.053 0.000 1.094 607 Y CA -0.874 57.180 58.100 -0.077 0.000 1.126 607 Y CB 1.111 39.546 38.460 -0.041 0.000 1.217 607 Y HN 0.580 nan 8.280 nan 0.000 0.462 608 R N 2.186 122.761 120.500 0.126 0.000 2.502 608 R HA 0.087 4.428 4.340 0.002 0.000 0.292 608 R C -0.538 175.806 176.300 0.073 0.000 0.998 608 R CA -0.184 55.947 56.100 0.052 0.000 1.056 608 R CB 0.148 30.446 30.300 -0.003 0.000 0.939 608 R HN 0.441 nan 8.270 nan 0.000 0.411 609 I N 5.505 126.106 120.570 0.051 0.000 2.648 609 I HA 0.050 4.221 4.170 0.002 0.000 0.284 609 I C -1.692 174.469 176.117 0.074 0.000 1.153 609 I CA -2.750 58.584 61.300 0.056 0.000 1.426 609 I CB 0.254 38.273 38.000 0.032 0.000 1.381 609 I HN 0.338 nan 8.210 nan 0.000 0.571 610 P HA 0.082 nan 4.420 nan 0.000 0.258 610 P C -0.487 176.873 177.300 0.101 0.000 1.172 610 P CA 0.397 63.611 63.100 0.189 0.000 0.762 610 P CB 0.393 32.220 31.700 0.211 0.000 0.764 611 L N 2.204 123.466 121.223 0.066 0.000 2.370 611 L HA 0.375 4.717 4.340 0.002 0.000 0.266 611 L C 0.317 177.196 176.870 0.014 0.000 1.002 611 L CA -1.007 53.849 54.840 0.027 0.000 0.818 611 L CB 2.195 44.255 42.059 0.001 0.000 1.325 611 L HN 0.237 nan 8.230 nan 0.000 0.418 612 S N 1.812 117.519 115.700 0.012 0.000 2.544 612 S HA 0.240 4.711 4.470 0.002 0.000 0.290 612 S C 1.111 175.698 174.600 -0.022 0.000 1.276 612 S CA 0.885 59.088 58.200 0.004 0.000 1.075 612 S CB 0.163 63.366 63.200 0.004 0.000 0.849 612 S HN 1.104 nan 8.310 nan 0.000 0.494 613 G N 3.240 112.017 108.800 -0.038 0.000 2.175 613 G HA2 -0.271 3.690 3.960 0.002 0.000 0.265 613 G HA3 -0.271 3.690 3.960 0.002 0.000 0.265 613 G C 0.610 175.457 174.900 -0.088 0.000 0.979 613 G CA 0.421 45.484 45.100 -0.062 0.000 0.663 613 G HN 0.926 nan 8.290 nan 0.000 0.533 614 C N -0.114 119.127 119.300 -0.098 0.000 3.491 614 C HA 0.649 5.110 4.460 0.002 0.000 0.298 614 C C 2.097 176.978 174.990 -0.182 0.000 1.424 614 C CA 0.267 59.214 59.018 -0.118 0.000 1.772 614 C CB -0.578 27.114 27.740 -0.080 0.000 2.447 614 C HN 2.005 nan 8.230 nan 0.000 0.670 615 G N 1.199 109.840 108.800 -0.265 0.000 2.547 615 G HA2 0.287 4.248 3.960 0.002 0.000 0.271 615 G HA3 0.287 4.248 3.960 0.002 0.000 0.271 615 G C -0.029 174.718 174.900 -0.254 0.000 1.209 615 G CA 0.022 44.783 45.100 -0.566 0.000 0.959 615 G HN 1.548 nan 8.290 nan 0.000 0.563 616 G N -3.647 105.061 108.800 -0.152 0.000 2.356 616 G HA2 0.682 4.643 3.960 0.002 0.000 0.294 616 G HA3 0.682 4.643 3.960 0.002 0.000 0.294 616 G C 0.982 175.985 174.900 0.171 0.000 1.423 616 G CA 1.218 46.390 45.100 0.121 0.000 0.806 616 G HN 2.729 nan 8.290 nan 0.000 0.527 617 G N -1.258 107.606 108.800 0.107 0.000 2.175 617 G HA2 -0.167 3.795 3.960 0.002 0.000 0.244 617 G HA3 -0.167 3.795 3.960 0.002 0.000 0.244 617 G C 0.300 175.213 174.900 0.021 0.000 0.982 617 G CA 0.931 46.063 45.100 0.054 0.000 0.641 617 G HN 0.998 nan 8.290 nan 0.000 0.527 618 Q N 1.513 121.237 119.800 -0.127 0.000 2.304 618 Q HA 0.533 4.874 4.340 0.002 0.000 0.260 618 Q C 0.809 176.896 176.000 0.145 0.000 0.965 618 Q CA 0.465 56.141 55.803 -0.212 0.000 0.898 618 Q CB 1.284 29.696 28.738 -0.542 0.000 1.196 618 Q HN 0.734 nan 8.270 nan 0.000 0.402 619 S N 2.058 117.944 115.700 0.309 0.000 2.549 619 S HA 0.090 4.561 4.470 0.002 0.000 0.286 619 S C 0.700 175.339 174.600 0.065 0.000 1.314 619 S CA -0.346 57.979 58.200 0.209 0.000 1.062 619 S CB 0.331 63.764 63.200 0.389 0.000 0.865 619 S HN 0.665 nan 8.310 nan 0.000 0.498 620 I N 1.700 122.249 120.570 -0.034 0.000 2.500 620 I HA 0.075 4.247 4.170 0.002 0.000 0.252 620 I C 1.172 177.293 176.117 0.007 0.000 1.142 620 I CA 0.833 62.117 61.300 -0.027 0.000 1.451 620 I CB 0.007 37.971 38.000 -0.060 0.000 1.093 620 I HN 0.590 nan 8.210 nan 0.000 0.430 621 K N 1.085 121.506 120.400 0.035 0.000 2.259 621 K HA 0.377 4.698 4.320 0.002 0.000 0.249 621 K C -2.469 174.258 176.600 0.212 0.000 0.942 621 K CA -1.921 54.424 56.287 0.097 0.000 0.816 621 K CB 1.663 34.209 32.500 0.077 0.000 1.155 621 K HN -0.240 nan 8.250 nan 0.000 0.428 622 P HA -0.015 nan 4.420 nan 0.000 0.275 622 P C -0.013 177.339 177.300 0.087 0.000 1.227 622 P CA -0.352 62.822 63.100 0.123 0.000 0.781 622 P CB 0.894 32.638 31.700 0.073 0.000 0.906 623 L N 3.281 124.452 121.223 -0.087 0.000 2.095 623 L HA 0.183 4.524 4.340 0.002 0.000 0.204 623 L C 1.304 178.087 176.870 -0.145 0.000 1.080 623 L CA 2.485 57.133 54.840 -0.320 0.000 0.759 623 L CB -1.566 40.011 42.059 -0.804 0.000 0.914 623 L HN 0.820 nan 8.230 nan 0.000 0.439 624 G N -1.174 107.586 108.800 -0.066 0.000 2.645 624 G HA2 0.115 4.077 3.960 0.002 0.000 0.246 624 G HA3 0.115 4.077 3.960 0.002 0.000 0.246 624 G C 0.915 175.786 174.900 -0.048 0.000 1.322 624 G CA 0.066 45.157 45.100 -0.015 0.000 0.898 624 G HN 1.486 nan 8.290 nan 0.000 0.573 625 G N -2.207 106.559 108.800 -0.057 0.000 2.213 625 G HA2 -0.050 3.911 3.960 0.002 0.000 0.236 625 G HA3 -0.050 3.911 3.960 0.002 0.000 0.236 625 G C 0.276 175.090 174.900 -0.143 0.000 0.991 625 G CA 0.896 45.941 45.100 -0.091 0.000 0.629 625 G HN 1.724 nan 8.290 nan 0.000 0.517 626 I N 0.949 121.408 120.570 -0.184 0.000 2.534 626 I HA 0.361 4.532 4.170 0.002 0.000 0.288 626 I C -1.249 174.564 176.117 -0.507 0.000 1.077 626 I CA -0.942 60.098 61.300 -0.433 0.000 1.051 626 I CB 2.131 39.704 38.000 -0.711 0.000 1.234 626 I HN 0.031 nan 8.210 nan 0.000 0.425 627 D N 5.386 125.518 120.400 -0.446 0.000 2.339 627 D HA 0.261 4.902 4.640 0.002 0.000 0.241 627 D C -0.086 175.980 176.300 -0.389 0.000 1.183 627 D CA 0.093 53.928 54.000 -0.274 0.000 0.859 627 D CB 0.535 41.249 40.800 -0.142 0.000 1.067 627 D HN 0.294 nan 8.370 nan 0.000 0.484 628 F N 2.416 122.325 119.950 -0.068 0.000 2.664 628 F HA 0.322 4.850 4.527 0.002 0.000 0.303 628 F C 1.915 177.616 175.800 -0.165 0.000 1.092 628 F CA 0.280 58.210 58.000 -0.117 0.000 1.305 628 F CB 0.159 39.099 39.000 -0.099 0.000 1.054 628 F HN 0.622 nan 8.300 nan 0.000 0.565 629 G N 0.368 109.177 108.800 0.016 0.000 2.550 629 G HA2 -0.255 3.706 3.960 0.002 0.000 0.277 629 G HA3 -0.255 3.706 3.960 0.002 0.000 0.277 629 G C -0.182 174.707 174.900 -0.018 0.000 1.190 629 G CA -0.575 44.475 45.100 -0.083 0.000 0.971 629 G HN 0.120 nan 8.290 nan 0.000 0.559 630 E N 2.855 122.977 120.200 -0.130 0.000 2.376 630 E HA 0.287 4.638 4.350 0.002 0.000 0.266 630 E C -1.655 174.953 176.600 0.013 0.000 1.009 630 E CA -0.821 55.572 56.400 -0.011 0.000 0.902 630 E CB 0.672 30.359 29.700 -0.022 0.000 0.972 630 E HN 0.410 nan 8.360 nan 0.000 0.439 631 P HA 0.041 nan 4.420 nan 0.000 0.271 631 P C -0.369 176.994 177.300 0.105 0.000 1.216 631 P CA -0.162 62.984 63.100 0.077 0.000 0.776 631 P CB 0.638 32.387 31.700 0.082 0.000 0.881 632 V N 4.781 124.774 119.914 0.132 0.000 2.318 632 V HA 0.161 4.282 4.120 0.002 0.000 0.271 632 V C 0.766 176.950 176.094 0.150 0.000 1.030 632 V CA -0.615 61.800 62.300 0.193 0.000 0.844 632 V CB 0.510 32.523 31.823 0.316 0.000 1.015 632 V HN 0.382 nan 8.190 nan 0.000 0.460 633 L N 5.605 126.901 121.223 0.123 0.000 2.416 633 L HA 0.318 4.659 4.340 0.002 0.000 0.272 633 L C 0.909 177.807 176.870 0.046 0.000 1.161 633 L CA -0.168 54.725 54.840 0.087 0.000 0.845 633 L CB 0.055 42.171 42.059 0.096 0.000 1.119 633 L HN 0.767 nan 8.230 nan 0.000 0.464 634 N N -0.015 118.711 118.700 0.042 0.000 2.776 634 N HA -0.145 4.596 4.740 0.002 0.000 0.249 634 N C 0.183 175.727 175.510 0.056 0.000 1.111 634 N CA 1.099 54.160 53.050 0.019 0.000 0.711 634 N CB -1.600 36.812 38.487 -0.125 0.000 1.065 634 N HN 0.911 nan 8.380 nan 0.000 0.556 635 T N -0.937 113.644 114.554 0.045 0.000 2.926 635 T HA 0.441 4.792 4.350 0.002 0.000 0.307 635 T C 0.141 174.854 174.700 0.021 0.000 1.059 635 T CA -0.219 61.837 62.100 -0.074 0.000 1.122 635 T CB 1.073 69.881 68.868 -0.101 0.000 0.972 635 T HN 0.361 nan 8.240 nan 0.000 0.545 636 Y N -0.939 119.200 120.300 -0.268 0.000 2.609 636 Y HA 0.695 5.247 4.550 0.002 0.000 0.336 636 Y C -3.316 172.296 175.900 -0.480 0.000 1.129 636 Y CA -3.305 54.527 58.100 -0.447 0.000 1.040 636 Y CB 0.617 38.876 38.460 -0.335 0.000 1.310 636 Y HN 0.473 nan 8.280 nan 0.000 0.460 637 P HA 0.092 nan 4.420 nan 0.000 0.280 637 P C 0.887 178.058 177.300 -0.214 0.000 1.244 637 P CA -0.252 62.623 63.100 -0.374 0.000 0.784 637 P CB 2.043 33.547 31.700 -0.327 0.000 0.913 638 V N 0.545 120.334 119.914 -0.209 0.000 2.515 638 V HA -0.107 4.015 4.120 0.002 0.000 0.250 638 V C 0.571 176.674 176.094 0.015 0.000 1.058 638 V CA 1.644 63.897 62.300 -0.078 0.000 1.064 638 V CB -1.634 30.130 31.823 -0.098 0.000 0.675 638 V HN 0.703 nan 8.190 nan 0.000 0.461 639 N N -1.560 117.136 118.700 -0.006 0.000 2.774 639 N HA 0.307 5.048 4.740 0.002 0.000 0.264 639 N C -0.135 175.382 175.510 0.010 0.000 1.415 639 N CA -0.578 52.486 53.050 0.022 0.000 0.815 639 N CB 1.041 39.544 38.487 0.027 0.000 1.514 639 N HN 0.043 nan 8.380 nan 0.000 0.523 640 E N -1.086 119.130 120.200 0.027 0.000 2.511 640 E HA 0.076 4.427 4.350 0.002 0.000 0.196 640 E C -0.071 176.541 176.600 0.021 0.000 1.066 640 E CA 0.394 56.808 56.400 0.024 0.000 0.871 640 E CB -0.417 29.299 29.700 0.028 0.000 0.863 640 E HN 0.538 nan 8.360 nan 0.000 0.520 641 N N -0.344 118.371 118.700 0.024 0.000 2.336 641 N HA 0.017 4.758 4.740 0.002 0.000 0.189 641 N C -0.353 175.182 175.510 0.041 0.000 1.113 641 N CA -0.247 52.824 53.050 0.034 0.000 0.858 641 N CB 0.803 39.312 38.487 0.036 0.000 0.970 641 N HN -0.121 nan 8.380 nan 0.000 0.471 642 V N 1.473 121.402 119.914 0.025 0.000 2.715 642 V HA 0.026 4.147 4.120 0.002 0.000 0.299 642 V C 0.576 176.688 176.094 0.029 0.000 1.054 642 V CA 0.037 62.351 62.300 0.023 0.000 1.077 642 V CB 1.208 33.019 31.823 -0.020 0.000 0.972 642 V HN 0.147 nan 8.190 nan 0.000 0.484 643 T N 6.816 121.395 114.554 0.042 0.000 2.747 643 T HA 0.408 4.759 4.350 0.002 0.000 0.301 643 T C -0.038 174.663 174.700 0.001 0.000 0.952 643 T CA -0.212 61.910 62.100 0.037 0.000 0.983 643 T CB -0.088 68.813 68.868 0.055 0.000 0.930 643 T HN 0.350 nan 8.240 nan 0.000 0.494 644 L N 4.761 125.997 121.223 0.022 0.000 2.313 644 L HA 0.302 4.643 4.340 0.002 0.000 0.282 644 L C 1.137 178.018 176.870 0.019 0.000 1.092 644 L CA -0.298 54.560 54.840 0.030 0.000 0.831 644 L CB 0.688 42.800 42.059 0.088 0.000 1.159 644 L HN 0.633 nan 8.230 nan 0.000 0.442 645 L N 2.709 123.915 121.223 -0.028 0.000 2.388 645 L HA 0.240 4.581 4.340 0.002 0.000 0.209 645 L C 0.458 177.315 176.870 -0.022 0.000 1.061 645 L CA 0.266 55.072 54.840 -0.057 0.000 0.834 645 L CB 0.076 42.049 42.059 -0.143 0.000 1.029 645 L HN 0.547 nan 8.230 nan 0.000 0.473 646 R N 0.440 120.936 120.500 -0.007 0.000 2.515 646 R HA 0.604 4.945 4.340 0.002 0.000 0.291 646 R C -1.121 175.176 176.300 -0.004 0.000 1.046 646 R CA -0.206 55.890 56.100 -0.006 0.000 0.914 646 R CB 1.865 32.185 30.300 0.033 0.000 1.191 646 R HN -0.053 nan 8.270 nan 0.000 0.435 647 A N 2.768 125.638 122.820 0.082 0.000 3.453 647 A HA 0.292 4.614 4.320 0.002 0.000 0.262 647 A C -0.844 176.840 177.584 0.165 0.000 1.026 647 A CA -0.674 51.460 52.037 0.163 0.000 0.938 647 A CB 0.244 19.434 19.000 0.317 0.000 1.246 647 A HN 0.421 nan 8.150 nan 0.000 0.546 648 D N 0.139 120.596 120.400 0.094 0.000 2.264 648 D HA 0.486 5.127 4.640 0.002 0.000 0.249 648 D C 1.226 177.570 176.300 0.072 0.000 1.070 648 D CA 1.278 55.333 54.000 0.092 0.000 0.912 648 D CB 1.387 42.231 40.800 0.074 0.000 1.193 648 D HN 0.946 nan 8.370 nan 0.000 0.427 649 G N 0.911 109.747 108.800 0.059 0.000 2.221 649 G HA2 -0.087 3.874 3.960 0.002 0.000 0.265 649 G HA3 -0.087 3.874 3.960 0.002 0.000 0.265 649 G C 0.958 175.866 174.900 0.013 0.000 1.041 649 G CA 0.580 45.702 45.100 0.036 0.000 0.807 649 G HN 1.214 nan 8.290 nan 0.000 0.502 650 G N -1.472 107.311 108.800 -0.028 0.000 2.198 650 G HA2 0.055 4.016 3.960 0.002 0.000 0.260 650 G HA3 0.055 4.016 3.960 0.002 0.000 0.260 650 G C 0.271 175.177 174.900 0.010 0.000 1.025 650 G CA 1.694 46.718 45.100 -0.126 0.000 0.769 650 G HN 2.176 nan 8.290 nan 0.000 0.507 651 Q N -2.295 117.591 119.800 0.143 0.000 2.707 651 Q HA 0.721 5.062 4.340 0.002 0.000 0.307 651 Q C -1.263 174.887 176.000 0.251 0.000 0.934 651 Q CA -1.095 54.867 55.803 0.264 0.000 0.753 651 Q CB 1.729 30.555 28.738 0.147 0.000 1.478 651 Q HN 0.449 nan 8.270 nan 0.000 0.458 652 V N 1.416 121.435 119.914 0.176 0.000 2.435 652 V HA 0.189 4.310 4.120 0.002 0.000 0.290 652 V C -0.338 175.791 176.094 0.058 0.000 1.030 652 V CA -0.303 62.060 62.300 0.106 0.000 0.881 652 V CB 1.339 33.180 31.823 0.031 0.000 0.983 652 V HN 0.814 nan 8.190 nan 0.000 0.445 653 Q N 2.863 122.567 119.800 -0.160 0.000 2.431 653 Q HA 0.430 4.771 4.340 0.002 0.000 0.244 653 Q C -0.368 175.303 176.000 -0.548 0.000 0.880 653 Q CA 0.197 55.646 55.803 -0.590 0.000 0.954 653 Q CB 0.870 28.703 28.738 -1.507 0.000 1.105 653 Q HN 0.560 nan 8.270 nan 0.000 0.558 654 L N -0.037 121.032 121.223 -0.257 0.000 2.505 654 L HA 0.826 5.167 4.340 0.002 0.000 0.266 654 L C -2.044 174.817 176.870 -0.015 0.000 0.954 654 L CA -0.555 54.223 54.840 -0.103 0.000 0.852 654 L CB 1.874 43.927 42.059 -0.010 0.000 1.282 654 L HN -0.009 nan 8.230 nan 0.000 0.403 655 A N 2.415 125.251 122.820 0.026 0.000 2.594 655 A HA 0.845 5.166 4.320 0.002 0.000 0.295 655 A C -1.147 176.449 177.584 0.021 0.000 1.071 655 A CA -0.258 51.789 52.037 0.018 0.000 0.685 655 A CB 1.979 21.009 19.000 0.051 0.000 1.285 655 A HN 0.632 nan 8.150 nan 0.000 0.405 656 T N 0.136 114.691 114.554 0.000 0.000 2.906 656 T HA 0.700 5.051 4.350 0.002 0.000 0.295 656 T C -1.326 173.436 174.700 0.103 0.000 1.075 656 T CA -0.501 61.641 62.100 0.070 0.000 1.005 656 T CB 1.288 70.210 68.868 0.091 0.000 1.136 656 T HN 0.911 nan 8.240 nan 0.000 0.498 657 N N 1.767 120.549 118.700 0.137 0.000 2.369 657 N HA 0.371 5.112 4.740 0.002 0.000 0.287 657 N C -1.955 173.648 175.510 0.154 0.000 1.067 657 N CA -0.524 52.603 53.050 0.129 0.000 0.888 657 N CB 1.688 40.237 38.487 0.104 0.000 1.616 657 N HN 0.452 nan 8.380 nan 0.000 0.482 658 D N 1.561 122.052 120.400 0.151 0.000 2.308 658 D HA 0.136 4.777 4.640 0.002 0.000 0.251 658 D C -0.941 175.488 176.300 0.214 0.000 1.127 658 D CA 0.651 54.744 54.000 0.155 0.000 0.876 658 D CB 0.528 41.400 40.800 0.119 0.000 1.176 658 D HN 0.412 nan 8.370 nan 0.000 0.446 659 Y N 1.913 122.239 120.300 0.043 0.000 2.609 659 Y HA 0.399 4.950 4.550 0.002 0.000 0.350 659 Y C 0.822 176.727 175.900 0.007 0.000 1.050 659 Y CA 0.032 58.147 58.100 0.025 0.000 1.290 659 Y CB 0.538 39.015 38.460 0.029 0.000 1.094 659 Y HN 0.654 nan 8.280 nan 0.000 0.583 660 G N 3.596 112.324 108.800 -0.120 0.000 2.583 660 G HA2 -0.455 3.506 3.960 0.002 0.000 0.292 660 G HA3 -0.455 3.506 3.960 0.002 0.000 0.292 660 G C 1.127 175.996 174.900 -0.053 0.000 1.203 660 G CA 0.664 45.694 45.100 -0.117 0.000 0.987 660 G HN 0.658 nan 8.290 nan 0.000 0.554 661 K N 0.883 121.234 120.400 -0.083 0.000 2.209 661 K HA 0.159 4.480 4.320 0.002 0.000 0.204 661 K C 1.688 178.248 176.600 -0.068 0.000 1.048 661 K CA 1.607 57.815 56.287 -0.132 0.000 0.940 661 K CB -0.646 31.757 32.500 -0.161 0.000 0.729 661 K HN 0.822 nan 8.250 nan 0.000 0.451 662 G N -0.229 108.586 108.800 0.025 0.000 2.642 662 G HA2 0.515 4.476 3.960 0.002 0.000 0.291 662 G HA3 0.515 4.476 3.960 0.002 0.000 0.291 662 G C -1.046 173.949 174.900 0.159 0.000 1.345 662 G CA -0.685 44.466 45.100 0.084 0.000 1.043 662 G HN 0.154 nan 8.290 nan 0.000 0.528 663 R N -1.833 118.724 120.500 0.096 0.000 2.740 663 R HA 0.575 4.916 4.340 0.002 0.000 0.273 663 R C -0.454 175.916 176.300 0.116 0.000 0.998 663 R CA -0.681 55.473 56.100 0.090 0.000 0.900 663 R CB 2.420 32.697 30.300 -0.038 0.000 1.223 663 R HN 0.755 nan 8.270 nan 0.000 0.466 664 G N 0.561 109.438 108.800 0.128 0.000 2.473 664 G HA2 0.617 4.579 3.960 0.002 0.000 0.321 664 G HA3 0.617 4.579 3.960 0.002 0.000 0.321 664 G C -1.283 173.707 174.900 0.151 0.000 1.200 664 G CA -0.433 44.764 45.100 0.161 0.000 0.963 664 G HN 0.272 nan 8.290 nan 0.000 0.483 665 V N 0.950 120.950 119.914 0.143 0.000 2.686 665 V HA 0.380 4.501 4.120 0.002 0.000 0.306 665 V C -1.437 174.724 176.094 0.113 0.000 1.065 665 V CA -0.843 61.523 62.300 0.109 0.000 0.894 665 V CB 1.739 33.610 31.823 0.079 0.000 1.004 665 V HN 0.751 nan 8.190 nan 0.000 0.424 666 Y N 5.595 125.892 120.300 -0.004 0.000 2.342 666 Y HA 0.793 5.344 4.550 0.002 0.000 0.334 666 Y C -0.507 175.373 175.900 -0.034 0.000 1.067 666 Y CA -1.033 57.053 58.100 -0.023 0.000 1.128 666 Y CB 1.373 39.828 38.460 -0.008 0.000 1.200 666 Y HN 0.540 nan 8.280 nan 0.000 0.464 667 I N 5.173 125.196 120.570 -0.912 0.000 2.534 667 I HA 0.192 4.363 4.170 0.002 0.000 0.288 667 I C 0.619 176.138 176.117 -0.995 0.000 1.077 667 I CA -0.511 60.370 61.300 -0.697 0.000 1.051 667 I CB 2.375 40.220 38.000 -0.259 0.000 1.234 667 I HN 0.734 nan 8.210 nan 0.000 0.425 668 S N 3.282 118.541 115.700 -0.735 0.000 2.406 668 S HA 0.244 4.715 4.470 0.002 0.000 0.228 668 S C 0.818 175.299 174.600 -0.198 0.000 1.020 668 S CA 0.486 58.467 58.200 -0.365 0.000 0.965 668 S CB 0.138 63.283 63.200 -0.092 0.000 0.798 668 S HN 0.905 nan 8.310 nan 0.000 0.488 669 G N -0.256 108.453 108.800 -0.151 0.000 2.547 669 G HA2 0.551 4.512 3.960 0.002 0.000 0.291 669 G HA3 0.551 4.512 3.960 0.002 0.000 0.291 669 G C -2.145 172.676 174.900 -0.132 0.000 1.471 669 G CA -0.830 44.130 45.100 -0.233 0.000 0.798 669 G HN 0.443 nan 8.290 nan 0.000 0.504 670 L N 1.135 122.207 121.223 -0.253 0.000 2.440 670 L HA 0.447 4.788 4.340 0.002 0.000 0.261 670 L C -2.568 174.202 176.870 -0.166 0.000 1.382 670 L CA -1.119 53.620 54.840 -0.169 0.000 0.871 670 L CB 1.961 43.954 42.059 -0.110 0.000 1.052 670 L HN 0.267 nan 8.230 nan 0.000 0.509 671 P HA -0.018 nan 4.420 nan 0.000 0.266 671 P C -1.203 176.123 177.300 0.044 0.000 1.195 671 P CA 0.239 63.328 63.100 -0.018 0.000 0.768 671 P CB 0.166 31.916 31.700 0.083 0.000 0.838 672 Y N 3.360 123.678 120.300 0.031 0.000 2.511 672 Y HA 0.349 4.900 4.550 0.002 0.000 0.332 672 Y C 0.236 176.138 175.900 0.004 0.000 1.177 672 Y CA 0.690 58.797 58.100 0.011 0.000 1.422 672 Y CB 0.285 38.766 38.460 0.036 0.000 1.271 672 Y HN 0.530 nan 8.280 nan 0.000 0.550 673 S N 3.256 118.390 115.700 -0.942 0.000 2.595 673 S HA 0.637 5.108 4.470 0.002 0.000 0.270 673 S C 0.248 174.378 174.600 -0.783 0.000 1.145 673 S CA -0.637 57.021 58.200 -0.902 0.000 0.825 673 S CB 0.747 63.711 63.200 -0.394 0.000 1.107 673 S HN 1.093 nan 8.310 nan 0.000 0.461 674 A N 1.711 124.226 122.820 -0.508 0.000 1.884 674 A HA 0.078 4.399 4.320 0.002 0.000 0.219 674 A C 2.400 179.876 177.584 -0.181 0.000 1.197 674 A CA 2.888 54.781 52.037 -0.240 0.000 0.637 674 A CB -1.794 17.122 19.000 -0.139 0.000 0.827 674 A HN 1.836 nan 8.150 nan 0.000 0.450 675 A N -0.247 122.460 122.820 -0.188 0.000 1.908 675 A HA -0.236 4.085 4.320 0.002 0.000 0.218 675 A C 1.920 179.408 177.584 -0.160 0.000 1.181 675 A CA 2.106 54.049 52.037 -0.158 0.000 0.627 675 A CB -0.682 18.220 19.000 -0.164 0.000 0.818 675 A HN 0.575 nan 8.150 nan 0.000 0.445 676 N N 0.075 118.657 118.700 -0.197 0.000 2.270 676 N HA 0.015 4.756 4.740 0.002 0.000 0.181 676 N C 1.794 177.256 175.510 -0.080 0.000 1.016 676 N CA 1.352 54.303 53.050 -0.165 0.000 0.870 676 N CB -0.545 37.829 38.487 -0.189 0.000 0.979 676 N HN 0.462 nan 8.380 nan 0.000 0.431 677 A N 1.010 123.795 122.820 -0.057 0.000 1.902 677 A HA -0.123 4.199 4.320 0.002 0.000 0.217 677 A C 2.265 179.876 177.584 0.045 0.000 1.181 677 A CA 1.506 53.575 52.037 0.054 0.000 0.623 677 A CB -0.383 18.702 19.000 0.141 0.000 0.818 677 A HN 0.162 nan 8.150 nan 0.000 0.443 678 R N -0.251 120.251 120.500 0.003 0.000 2.075 678 R HA -0.063 4.278 4.340 0.002 0.000 0.232 678 R C 1.867 178.168 176.300 0.002 0.000 1.126 678 R CA 1.723 57.834 56.100 0.018 0.000 0.963 678 R CB -1.022 29.268 30.300 -0.018 0.000 0.858 678 R HN 0.421 nan 8.270 nan 0.000 0.435 679 L N 0.058 121.255 121.223 -0.043 0.000 2.012 679 L HA -0.100 4.241 4.340 0.002 0.000 0.210 679 L C 2.047 178.923 176.870 0.009 0.000 1.073 679 L CA 1.698 56.508 54.840 -0.051 0.000 0.748 679 L CB -0.770 41.233 42.059 -0.094 0.000 0.891 679 L HN 0.363 nan 8.230 nan 0.000 0.431 680 L N -0.027 121.210 121.223 0.023 0.000 1.989 680 L HA -0.265 4.076 4.340 0.002 0.000 0.211 680 L C 2.513 179.458 176.870 0.126 0.000 1.071 680 L CA 2.331 57.204 54.840 0.056 0.000 0.749 680 L CB -0.963 41.123 42.059 0.045 0.000 0.890 680 L HN 0.562 nan 8.230 nan 0.000 0.431 681 E N -0.727 119.574 120.200 0.168 0.000 2.070 681 E HA -0.298 4.053 4.350 0.002 0.000 0.197 681 E C 2.352 179.224 176.600 0.453 0.000 1.004 681 E CA 1.603 58.192 56.400 0.314 0.000 0.805 681 E CB -0.114 29.783 29.700 0.329 0.000 0.744 681 E HN 0.479 nan 8.360 nan 0.000 0.451 682 R N -0.209 120.454 120.500 0.272 0.000 2.096 682 R HA -0.104 4.237 4.340 0.002 0.000 0.235 682 R C 2.481 179.027 176.300 0.410 0.000 1.127 682 R CA 1.232 57.480 56.100 0.246 0.000 0.968 682 R CB -0.227 29.982 30.300 -0.152 0.000 0.861 682 R HN 0.129 nan 8.270 nan 0.000 0.440 683 V N 1.634 121.695 119.914 0.244 0.000 2.332 683 V HA -0.262 3.859 4.120 0.002 0.000 0.248 683 V C 2.247 178.488 176.094 0.244 0.000 1.055 683 V CA 1.742 64.174 62.300 0.219 0.000 1.038 683 V CB -0.382 31.502 31.823 0.102 0.000 0.651 683 V HN 0.313 nan 8.190 nan 0.000 0.450 684 L N -1.902 119.449 121.223 0.212 0.000 2.109 684 L HA -0.106 4.235 4.340 0.002 0.000 0.207 684 L C 2.372 179.280 176.870 0.063 0.000 1.086 684 L CA 1.536 56.428 54.840 0.088 0.000 0.760 684 L CB -0.571 41.486 42.059 -0.002 0.000 0.910 684 L HN 0.251 nan 8.230 nan 0.000 0.437 685 F N -1.258 118.825 119.950 0.222 0.000 2.206 685 F HA -0.197 4.331 4.527 0.002 0.000 0.298 685 F C 2.515 178.349 175.800 0.056 0.000 1.090 685 F CA 1.241 59.358 58.000 0.196 0.000 1.323 685 F CB -0.469 38.754 39.000 0.372 0.000 1.028 685 F HN -0.054 nan 8.300 nan 0.000 0.492 686 Y N 0.465 120.861 120.300 0.161 0.000 2.200 686 Y HA -0.125 4.426 4.550 0.002 0.000 0.290 686 Y C 2.302 178.130 175.900 -0.119 0.000 1.137 686 Y CA 1.289 59.331 58.100 -0.095 0.000 1.163 686 Y CB -0.500 38.014 38.460 0.091 0.000 0.988 686 Y HN -0.032 nan 8.280 nan 0.000 0.518 687 A N -0.565 122.286 122.820 0.052 0.000 1.968 687 A HA -0.096 4.226 4.320 0.002 0.000 0.217 687 A C 2.134 179.640 177.584 -0.130 0.000 1.169 687 A CA 1.403 53.416 52.037 -0.039 0.000 0.638 687 A CB -1.057 17.995 19.000 0.086 0.000 0.812 687 A HN 0.510 nan 8.150 nan 0.000 0.446 688 S N -1.488 114.161 115.700 -0.084 0.000 2.701 688 S HA 0.042 4.513 4.470 0.002 0.000 0.220 688 S C 0.384 174.977 174.600 -0.012 0.000 0.954 688 S CA 0.239 58.405 58.200 -0.056 0.000 0.936 688 S CB -0.710 62.456 63.200 -0.057 0.000 0.777 688 S HN 0.577 nan 8.310 nan 0.000 0.518 689 H N 0.813 119.764 119.070 -0.198 0.000 2.692 689 H HA -0.141 4.416 4.556 0.002 0.000 0.316 689 H C -0.385 174.867 175.328 -0.126 0.000 1.176 689 H CA 1.025 56.941 56.048 -0.220 0.000 1.142 689 H CB -2.082 27.571 29.762 -0.182 0.000 1.475 689 H HN 0.698 nan 8.280 nan 0.000 0.423 690 N N -0.034 118.666 118.700 -0.000 0.000 2.351 690 N HA 0.029 4.770 4.740 0.002 0.000 0.254 690 N C 0.970 176.584 175.510 0.173 0.000 1.241 690 N CA -0.203 52.921 53.050 0.124 0.000 0.883 690 N CB 0.583 39.185 38.487 0.191 0.000 1.202 690 N HN 0.277 nan 8.380 nan 0.000 0.512 691 E N 0.657 120.802 120.200 -0.091 0.000 2.147 691 E HA -0.215 4.136 4.350 0.002 0.000 0.199 691 E C 0.771 177.386 176.600 0.024 0.000 1.005 691 E CA 1.181 57.418 56.400 -0.271 0.000 0.810 691 E CB 0.055 29.424 29.700 -0.552 0.000 0.736 691 E HN 0.322 nan 8.360 nan 0.000 0.460 692 D N -0.252 120.172 120.400 0.040 0.000 2.317 692 D HA -0.064 4.577 4.640 0.002 0.000 0.211 692 D C 1.434 177.786 176.300 0.086 0.000 0.966 692 D CA 0.696 54.731 54.000 0.058 0.000 0.876 692 D CB 0.043 40.862 40.800 0.031 0.000 0.927 692 D HN 0.099 nan 8.370 nan 0.000 0.519 693 K N -0.622 119.872 120.400 0.157 0.000 2.356 693 K HA -0.043 4.278 4.320 0.002 0.000 0.195 693 K C 1.702 178.360 176.600 0.097 0.000 1.037 693 K CA -0.152 56.249 56.287 0.191 0.000 1.014 693 K CB 0.247 32.942 32.500 0.326 0.000 0.815 693 K HN 0.044 nan 8.250 nan 0.000 0.507 694 Y N 1.148 121.358 120.300 -0.150 0.000 2.128 694 Y HA -0.274 4.277 4.550 0.002 0.000 0.284 694 Y C 1.949 177.621 175.900 -0.380 0.000 1.154 694 Y CA 1.807 59.533 58.100 -0.624 0.000 1.149 694 Y CB -0.374 37.924 38.460 -0.270 0.000 0.976 694 Y HN 0.067 nan 8.280 nan 0.000 0.505 695 A N 1.464 124.134 122.820 -0.249 0.000 1.883 695 A HA 0.008 4.329 4.320 0.002 0.000 0.217 695 A C 1.666 179.006 177.584 -0.407 0.000 1.186 695 A CA 0.951 52.804 52.037 -0.307 0.000 0.624 695 A CB -1.719 17.215 19.000 -0.110 0.000 0.822 695 A HN 0.623 nan 8.150 nan 0.000 0.444 696 A N -1.588 121.016 122.820 -0.360 0.000 2.561 696 A HA 0.285 4.606 4.320 0.002 0.000 0.251 696 A C 0.127 177.444 177.584 -0.444 0.000 1.062 696 A CA 0.475 52.189 52.037 -0.539 0.000 0.761 696 A CB -1.454 17.314 19.000 -0.387 0.000 0.986 696 A HN 1.030 nan 8.150 nan 0.000 0.510 697 W N 0.780 121.892 121.300 -0.314 0.000 5.324 697 W HA -0.195 4.466 4.660 0.002 0.000 0.404 697 W C 0.639 176.975 176.519 -0.304 0.000 1.566 697 W CA 0.528 57.670 57.345 -0.338 0.000 0.927 697 W CB -2.184 27.099 29.460 -0.294 0.000 2.757 697 W HN 1.163 nan 8.180 nan 0.000 1.382 698 S N -1.237 114.333 115.700 -0.216 0.000 2.599 698 S HA 0.811 5.283 4.470 0.002 0.000 0.294 698 S C -0.428 174.068 174.600 -0.173 0.000 1.094 698 S CA -0.510 57.527 58.200 -0.272 0.000 0.931 698 S CB 2.246 65.104 63.200 -0.570 0.000 1.093 698 S HN 0.424 nan 8.310 nan 0.000 0.488 699 S N 0.895 116.519 115.700 -0.126 0.000 2.442 699 S HA 0.411 4.882 4.470 0.002 0.000 0.297 699 S C 1.297 175.869 174.600 -0.047 0.000 1.131 699 S CA -0.108 58.054 58.200 -0.063 0.000 1.092 699 S CB 0.755 63.926 63.200 -0.049 0.000 0.998 699 S HN 1.056 nan 8.310 nan 0.000 0.478 700 S N 4.273 119.961 115.700 -0.020 0.000 2.370 700 S HA -0.129 4.342 4.470 0.002 0.000 0.226 700 S C 0.868 175.467 174.600 -0.002 0.000 1.033 700 S CA 0.769 58.967 58.200 -0.003 0.000 1.011 700 S CB -0.703 62.499 63.200 0.004 0.000 0.852 700 S HN 0.752 nan 8.310 nan 0.000 0.457 701 N N 3.104 121.804 118.700 -0.000 0.000 2.430 701 N HA 0.275 5.016 4.740 0.002 0.000 0.265 701 N C -2.256 173.246 175.510 -0.013 0.000 1.100 701 N CA -2.262 50.785 53.050 -0.005 0.000 0.961 701 N CB 1.361 39.851 38.487 0.004 0.000 1.075 701 N HN 0.006 nan 8.380 nan 0.000 0.478 702 P HA -0.061 nan 4.420 nan 0.000 0.225 702 P C 0.361 177.646 177.300 -0.025 0.000 1.148 702 P CA 0.996 64.082 63.100 -0.024 0.000 0.779 702 P CB 0.368 32.042 31.700 -0.042 0.000 0.780 703 E N -1.411 118.775 120.200 -0.025 0.000 2.511 703 E HA -0.004 4.347 4.350 0.002 0.000 0.196 703 E C 0.363 176.953 176.600 -0.016 0.000 1.066 703 E CA 0.391 56.778 56.400 -0.020 0.000 0.871 703 E CB -0.380 29.310 29.700 -0.016 0.000 0.863 703 E HN 0.281 nan 8.360 nan 0.000 0.520 704 C N 0.370 119.657 119.300 -0.022 0.000 2.667 704 C HA 0.559 5.020 4.460 0.002 0.000 0.323 704 C C 0.285 175.251 174.990 -0.041 0.000 1.214 704 C CA -0.801 58.195 59.018 -0.038 0.000 1.721 704 C CB 1.795 29.506 27.740 -0.048 0.000 2.275 704 C HN 0.184 nan 8.230 nan 0.000 0.491 705 E N -0.033 120.131 120.200 -0.059 0.000 2.343 705 E HA 0.643 4.994 4.350 0.002 0.000 0.270 705 E C -1.605 174.949 176.600 -0.077 0.000 0.895 705 E CA -0.500 55.868 56.400 -0.053 0.000 0.767 705 E CB 2.255 31.933 29.700 -0.036 0.000 1.248 705 E HN 0.389 nan 8.360 nan 0.000 0.440 706 V N 1.386 121.267 119.914 -0.055 0.000 2.459 706 V HA 0.701 4.823 4.120 0.002 0.000 0.295 706 V C -0.647 175.420 176.094 -0.045 0.000 1.029 706 V CA -0.575 61.703 62.300 -0.036 0.000 0.874 706 V CB 1.461 33.282 31.823 -0.003 0.000 0.985 706 V HN 0.741 nan 8.190 nan 0.000 0.438 707 A N 3.503 126.285 122.820 -0.063 0.000 2.330 707 A HA 0.653 4.974 4.320 0.002 0.000 0.313 707 A C -0.744 176.680 177.584 -0.267 0.000 1.124 707 A CA -0.528 51.394 52.037 -0.192 0.000 0.774 707 A CB 0.710 19.609 19.000 -0.168 0.000 1.198 707 A HN 0.977 nan 8.150 nan 0.000 0.465 708 H N 2.131 120.815 119.070 -0.644 0.000 2.459 708 H HA 0.584 5.141 4.556 0.002 0.000 0.332 708 H C -1.725 173.073 175.328 -0.883 0.000 1.094 708 H CA -0.621 54.987 56.048 -0.733 0.000 1.224 708 H CB 0.810 29.905 29.762 -1.111 0.000 1.449 708 H HN 0.527 nan 8.280 nan 0.000 0.484 709 F N 6.996 126.642 119.950 -0.508 0.000 2.449 709 F HA 0.233 4.761 4.527 0.002 0.000 0.344 709 F C -1.695 173.796 175.800 -0.515 0.000 1.180 709 F CA -2.021 55.749 58.000 -0.384 0.000 1.209 709 F CB 1.221 40.166 39.000 -0.092 0.000 1.440 709 F HN 0.509 nan 8.300 nan 0.000 0.526 710 P HA -0.231 nan 4.420 nan 0.000 0.216 710 P C 0.970 178.276 177.300 0.009 0.000 1.154 710 P CA 1.744 64.668 63.100 -0.294 0.000 0.865 710 P CB 0.405 32.040 31.700 -0.109 0.000 0.789 711 E N -1.051 119.156 120.200 0.012 0.000 2.435 711 E HA -0.089 4.262 4.350 0.002 0.000 0.195 711 E C 1.613 178.235 176.600 0.037 0.000 1.029 711 E CA 0.405 56.836 56.400 0.050 0.000 0.865 711 E CB -0.123 29.604 29.700 0.045 0.000 0.833 711 E HN 0.264 nan 8.360 nan 0.000 0.510 712 Q N -0.787 119.039 119.800 0.043 0.000 2.319 712 Q HA 0.161 4.502 4.340 0.002 0.000 0.202 712 Q C 0.666 176.690 176.000 0.039 0.000 0.896 712 Q CA 0.448 56.260 55.803 0.016 0.000 0.942 712 Q CB 1.133 29.847 28.738 -0.040 0.000 1.083 712 Q HN 0.277 nan 8.270 nan 0.000 0.510 713 G N 0.864 109.703 108.800 0.065 0.000 2.323 713 G HA2 -0.266 3.695 3.960 0.002 0.000 0.292 713 G HA3 -0.266 3.695 3.960 0.002 0.000 0.292 713 G C -0.459 174.537 174.900 0.161 0.000 1.040 713 G CA 0.301 45.460 45.100 0.099 0.000 0.942 713 G HN 0.266 nan 8.290 nan 0.000 0.506 714 L N -0.912 120.445 121.223 0.224 0.000 2.393 714 L HA 0.802 5.143 4.340 0.002 0.000 0.260 714 L C -0.052 177.124 176.870 0.510 0.000 1.002 714 L CA -1.662 53.377 54.840 0.331 0.000 0.818 714 L CB 2.243 44.490 42.059 0.312 0.000 1.369 714 L HN 0.368 nan 8.230 nan 0.000 0.412 715 Y N 0.524 121.060 120.300 0.395 0.000 2.581 715 Y HA 0.790 5.341 4.550 0.002 0.000 0.345 715 Y C -0.580 175.407 175.900 0.145 0.000 1.036 715 Y CA -1.521 56.760 58.100 0.302 0.000 1.042 715 Y CB 1.435 40.019 38.460 0.206 0.000 1.289 715 Y HN 0.701 nan 8.280 nan 0.000 0.471 716 C N 2.008 121.280 119.300 -0.047 0.000 2.779 716 C HA 0.919 5.380 4.460 0.002 0.000 0.314 716 C C -1.001 173.805 174.990 -0.307 0.000 1.231 716 C CA -1.032 57.615 59.018 -0.617 0.000 1.652 716 C CB 1.163 27.860 27.740 -1.739 0.000 2.198 716 C HN 1.135 nan 8.230 nan 0.000 0.483 717 V N 3.575 123.214 119.914 -0.459 0.000 2.656 717 V HA 0.798 4.919 4.120 0.002 0.000 0.307 717 V C -0.454 175.434 176.094 -0.344 0.000 1.051 717 V CA -0.560 61.519 62.300 -0.368 0.000 0.893 717 V CB 1.642 33.132 31.823 -0.556 0.000 0.999 717 V HN 1.059 nan 8.190 nan 0.000 0.426 718 I N 3.150 123.587 120.570 -0.223 0.000 2.569 718 I HA 0.655 4.826 4.170 0.002 0.000 0.296 718 I C -0.684 175.373 176.117 -0.100 0.000 1.028 718 I CA -0.773 60.434 61.300 -0.157 0.000 1.082 718 I CB 2.103 40.020 38.000 -0.139 0.000 1.264 718 I HN 0.570 nan 8.210 nan 0.000 0.429 719 N N 3.784 122.449 118.700 -0.058 0.000 2.439 719 N HA 0.273 5.014 4.740 0.002 0.000 0.249 719 N C -0.253 175.249 175.510 -0.013 0.000 1.003 719 N CA -0.287 52.749 53.050 -0.023 0.000 0.942 719 N CB 0.607 39.097 38.487 0.006 0.000 1.115 719 N HN 0.758 nan 8.380 nan 0.000 0.505 720 N N 0.865 119.557 118.700 -0.013 0.000 2.521 720 N HA -0.034 4.707 4.740 0.002 0.000 0.188 720 N C -0.075 175.448 175.510 0.022 0.000 1.146 720 N CA 0.348 53.397 53.050 -0.002 0.000 0.893 720 N CB 0.305 38.801 38.487 0.014 0.000 0.975 720 N HN 0.650 nan 8.380 nan 0.000 0.451 721 T N -2.329 112.238 114.554 0.023 0.000 2.910 721 T HA 0.217 4.568 4.350 0.002 0.000 0.287 721 T C 0.175 174.900 174.700 0.041 0.000 1.050 721 T CA -0.907 61.211 62.100 0.030 0.000 1.011 721 T CB 1.639 70.518 68.868 0.018 0.000 1.195 721 T HN -0.033 nan 8.240 nan 0.000 0.540 722 D N -0.844 119.581 120.400 0.042 0.000 2.328 722 D HA 0.102 4.743 4.640 0.002 0.000 0.221 722 D C 0.271 176.592 176.300 0.034 0.000 1.072 722 D CA -0.049 53.978 54.000 0.045 0.000 0.850 722 D CB 0.047 40.876 40.800 0.049 0.000 0.922 722 D HN 0.307 nan 8.370 nan 0.000 0.516 723 Q N 1.026 120.843 119.800 0.028 0.000 2.215 723 Q HA 0.398 4.739 4.340 0.002 0.000 0.256 723 Q C -2.427 173.589 176.000 0.026 0.000 0.972 723 Q CA -2.318 53.499 55.803 0.023 0.000 0.889 723 Q CB 1.147 29.895 28.738 0.016 0.000 1.281 723 Q HN 0.113 nan 8.270 nan 0.000 0.456 724 P HA 0.058 nan 4.420 nan 0.000 0.271 724 P C -0.701 176.617 177.300 0.030 0.000 1.218 724 P CA -0.007 63.113 63.100 0.033 0.000 0.780 724 P CB 0.738 32.458 31.700 0.033 0.000 0.901 725 Q N 1.556 121.379 119.800 0.037 0.000 2.305 725 Q HA 0.348 4.689 4.340 0.002 0.000 0.271 725 Q C -0.383 175.650 176.000 0.055 0.000 1.046 725 Q CA -0.600 55.224 55.803 0.035 0.000 0.798 725 Q CB 2.805 31.556 28.738 0.023 0.000 1.286 725 Q HN 0.408 nan 8.270 nan 0.000 0.435 726 K N 1.036 121.468 120.400 0.054 0.000 2.138 726 K HA 0.716 5.037 4.320 0.002 0.000 0.263 726 K C -0.220 176.425 176.600 0.075 0.000 0.965 726 K CA -0.490 55.843 56.287 0.076 0.000 0.868 726 K CB 1.836 34.371 32.500 0.058 0.000 1.083 726 K HN 0.478 nan 8.250 nan 0.000 0.443 727 T N 0.465 115.091 114.554 0.119 0.000 2.853 727 T HA 0.289 4.640 4.350 0.002 0.000 0.311 727 T C -1.416 173.383 174.700 0.166 0.000 1.307 727 T CA -0.473 61.691 62.100 0.107 0.000 1.019 727 T CB 1.791 70.701 68.868 0.070 0.000 1.264 727 T HN 0.458 nan 8.240 nan 0.000 0.497 728 T N 2.480 117.101 114.554 0.112 0.000 2.786 728 T HA 0.560 4.911 4.350 0.002 0.000 0.283 728 T C -0.509 174.251 174.700 0.100 0.000 0.992 728 T CA -0.411 61.759 62.100 0.115 0.000 0.954 728 T CB 1.082 69.976 68.868 0.045 0.000 0.934 728 T HN 0.444 nan 8.240 nan 0.000 0.440 729 V N 4.312 124.333 119.914 0.179 0.000 2.383 729 V HA 0.315 4.436 4.120 0.002 0.000 0.275 729 V C 0.644 176.705 176.094 -0.055 0.000 1.036 729 V CA -0.574 61.773 62.300 0.078 0.000 0.889 729 V CB 1.315 33.265 31.823 0.212 0.000 0.985 729 V HN 0.918 nan 8.190 nan 0.000 0.459 730 T N 7.125 121.572 114.554 -0.178 0.000 2.780 730 T HA 0.542 4.893 4.350 0.002 0.000 0.294 730 T C -0.028 174.350 174.700 -0.536 0.000 0.949 730 T CA -0.210 61.721 62.100 -0.281 0.000 1.074 730 T CB 0.687 69.404 68.868 -0.252 0.000 0.910 730 T HN 0.243 nan 8.240 nan 0.000 0.501 731 L N 2.034 122.889 121.223 -0.614 0.000 2.469 731 L HA 0.524 4.865 4.340 0.002 0.000 0.253 731 L C 1.881 178.095 176.870 -1.095 0.000 1.143 731 L CA -0.169 53.993 54.840 -1.131 0.000 0.804 731 L CB -0.009 41.630 42.059 -0.699 0.000 1.214 731 L HN 0.706 nan 8.230 nan 0.000 0.476 732 A N 0.348 122.343 122.820 -1.375 0.000 1.902 732 A HA -0.187 4.134 4.320 0.002 0.000 0.217 732 A C 1.515 178.904 177.584 -0.324 0.000 1.181 732 A CA 1.675 53.295 52.037 -0.694 0.000 0.623 732 A CB -0.918 17.938 19.000 -0.239 0.000 0.818 732 A HN 0.920 nan 8.150 nan 0.000 0.443 733 D N -1.995 118.258 120.400 -0.246 0.000 2.378 733 D HA 0.249 4.890 4.640 0.002 0.000 0.227 733 D C 1.199 177.420 176.300 -0.133 0.000 1.012 733 D CA 1.140 55.066 54.000 -0.124 0.000 0.905 733 D CB -0.593 40.170 40.800 -0.061 0.000 0.895 733 D HN 0.829 nan 8.370 nan 0.000 0.532 734 G N -0.222 108.459 108.800 -0.199 0.000 2.241 734 G HA2 -0.290 3.671 3.960 0.002 0.000 0.244 734 G HA3 -0.290 3.671 3.960 0.002 0.000 0.244 734 G C 0.591 175.408 174.900 -0.139 0.000 0.998 734 G CA 0.457 45.463 45.100 -0.156 0.000 0.621 734 G HN 0.828 nan 8.290 nan 0.000 0.519 735 T N 0.110 114.583 114.554 -0.134 0.000 2.856 735 T HA 0.555 4.906 4.350 0.002 0.000 0.306 735 T C 0.419 175.052 174.700 -0.113 0.000 1.062 735 T CA 0.987 63.030 62.100 -0.095 0.000 1.083 735 T CB 1.628 70.461 68.868 -0.058 0.000 0.984 735 T HN 1.499 nan 8.240 nan 0.000 0.542 736 T N -1.012 113.503 114.554 -0.065 0.000 2.907 736 T HA 0.655 5.006 4.350 0.002 0.000 0.292 736 T C -1.001 173.694 174.700 -0.008 0.000 1.043 736 T CA -0.992 61.080 62.100 -0.046 0.000 1.003 736 T CB 2.100 70.943 68.868 -0.042 0.000 1.084 736 T HN 0.911 nan 8.240 nan 0.000 0.483 737 E N 0.757 120.978 120.200 0.036 0.000 2.266 737 E HA 0.450 4.801 4.350 0.002 0.000 0.268 737 E C -1.439 175.120 176.600 -0.069 0.000 0.879 737 E CA -0.774 55.601 56.400 -0.041 0.000 0.762 737 E CB 1.406 31.072 29.700 -0.057 0.000 1.199 737 E HN 0.640 nan 8.360 nan 0.000 0.422 738 D N 2.592 122.871 120.400 -0.201 0.000 2.175 738 D HA 0.372 5.014 4.640 0.002 0.000 0.248 738 D C -1.003 175.089 176.300 -0.346 0.000 1.047 738 D CA 0.130 54.056 54.000 -0.123 0.000 0.883 738 D CB 0.687 41.448 40.800 -0.065 0.000 1.180 738 D HN 0.241 nan 8.370 nan 0.000 0.438 739 F N 0.391 120.364 119.950 0.038 0.000 2.565 739 F HA 0.199 4.727 4.527 0.001 0.000 0.313 739 F C 0.022 175.840 175.800 0.029 0.000 1.091 739 F CA -0.973 57.050 58.000 0.039 0.000 0.915 739 F CB 1.940 40.968 39.000 0.046 0.000 1.208 739 F HN 0.004 nan 8.300 nan 0.000 0.453 740 D N 3.995 124.514 120.400 0.199 0.000 2.472 740 D HA 0.345 4.986 4.640 0.002 0.000 0.234 740 D C -1.019 175.364 176.300 0.139 0.000 1.088 740 D CA -0.108 53.971 54.000 0.132 0.000 0.882 740 D CB 0.571 41.418 40.800 0.078 0.000 1.037 740 D HN 0.405 nan 8.370 nan 0.000 0.520 741 L N 5.370 126.668 121.223 0.125 0.000 2.290 741 L HA 0.400 4.741 4.340 0.002 0.000 0.284 741 L C -1.776 175.137 176.870 0.072 0.000 1.078 741 L CA -1.647 53.250 54.840 0.096 0.000 0.815 741 L CB 1.299 43.391 42.059 0.055 0.000 1.162 741 L HN 0.211 nan 8.230 nan 0.000 0.435 742 P HA -0.040 nan 4.420 nan 0.000 0.272 742 P C -0.570 176.764 177.300 0.057 0.000 1.230 742 P CA -0.445 62.692 63.100 0.061 0.000 0.788 742 P CB 0.465 32.204 31.700 0.065 0.000 0.949 743 D N 1.505 121.932 120.400 0.044 0.000 4.723 743 D HA -0.192 4.449 4.640 0.002 0.000 0.184 743 D C 0.088 176.426 176.300 0.063 0.000 1.137 743 D CA 1.340 55.366 54.000 0.043 0.000 0.724 743 D CB -0.566 40.250 40.800 0.027 0.000 1.242 743 D HN 0.369 nan 8.370 nan 0.000 0.678 744 S N 0.779 116.523 115.700 0.074 0.000 3.358 744 S HA -0.173 4.298 4.470 0.002 0.000 0.309 744 S C 0.904 175.595 174.600 0.151 0.000 1.247 744 S CA 0.817 59.085 58.200 0.114 0.000 0.961 744 S CB -1.646 61.652 63.200 0.163 0.000 1.074 744 S HN 0.887 nan 8.310 nan 0.000 0.625 745 G N 0.034 108.902 108.800 0.113 0.000 2.651 745 G HA2 0.595 4.556 3.960 0.002 0.000 0.260 745 G HA3 0.595 4.556 3.960 0.002 0.000 0.260 745 G C -0.401 174.545 174.900 0.077 0.000 1.216 745 G CA -0.297 44.880 45.100 0.130 0.000 0.913 745 G HN 0.566 nan 8.290 nan 0.000 0.535 746 I N -0.426 120.191 120.570 0.079 0.000 2.686 746 I HA 0.694 4.865 4.170 0.002 0.000 0.295 746 I C -0.330 175.752 176.117 -0.059 0.000 1.114 746 I CA -0.925 60.350 61.300 -0.042 0.000 1.038 746 I CB 2.072 40.084 38.000 0.020 0.000 1.238 746 I HN 0.684 nan 8.210 nan 0.000 0.420 747 A N 5.918 128.591 122.820 -0.245 0.000 2.386 747 A HA 0.749 5.070 4.320 0.002 0.000 0.311 747 A C -2.168 175.199 177.584 -0.362 0.000 1.068 747 A CA -0.376 51.580 52.037 -0.135 0.000 0.743 747 A CB 0.782 19.785 19.000 0.005 0.000 1.258 747 A HN 0.721 nan 8.150 nan 0.000 0.429 748 W N 1.585 122.875 121.300 -0.018 0.000 2.666 748 W HA 0.762 5.423 4.660 0.002 0.000 0.334 748 W C 0.263 176.716 176.519 -0.109 0.000 1.051 748 W CA -0.328 56.966 57.345 -0.086 0.000 1.224 748 W CB 1.649 31.076 29.460 -0.056 0.000 1.405 748 W HN 0.528 nan 8.180 nan 0.000 0.513 749 R N 1.177 121.645 120.500 -0.053 0.000 2.808 749 R HA 0.252 4.593 4.340 0.002 0.000 0.272 749 R C -0.550 175.738 176.300 -0.021 0.000 0.995 749 R CA -1.274 54.760 56.100 -0.110 0.000 0.917 749 R CB 1.717 31.823 30.300 -0.323 0.000 1.217 749 R HN 0.775 nan 8.270 nan 0.000 0.471 750 E N 0.915 121.167 120.200 0.087 0.000 2.354 750 E HA 0.582 4.933 4.350 0.002 0.000 0.269 750 E C -0.810 175.957 176.600 0.278 0.000 1.036 750 E CA -0.608 55.884 56.400 0.153 0.000 0.876 750 E CB 1.237 31.006 29.700 0.116 0.000 1.009 750 E HN 0.556 nan 8.360 nan 0.000 0.416 751 A N 3.656 126.673 122.820 0.328 0.000 2.437 751 A HA 0.421 4.742 4.320 0.002 0.000 0.292 751 A C -0.786 176.952 177.584 0.256 0.000 1.173 751 A CA -0.972 51.320 52.037 0.426 0.000 0.785 751 A CB 1.249 20.621 19.000 0.620 0.000 1.351 751 A HN 0.627 nan 8.150 nan 0.000 0.431 752 L N 1.472 122.831 121.223 0.226 0.000 2.513 752 L HA 0.135 4.477 4.340 0.002 0.000 0.272 752 L C 0.675 177.492 176.870 -0.088 0.000 1.187 752 L CA 0.708 55.574 54.840 0.044 0.000 0.895 752 L CB 0.160 42.215 42.059 -0.007 0.000 1.147 752 L HN 0.916 nan 8.230 nan 0.000 0.483 753 E N 3.475 123.625 120.200 -0.083 0.000 2.316 753 E HA 0.149 4.501 4.350 0.002 0.000 0.275 753 E C -0.817 175.678 176.600 -0.175 0.000 1.029 753 E CA -0.235 56.119 56.400 -0.076 0.000 0.871 753 E CB 0.607 30.303 29.700 -0.008 0.000 1.022 753 E HN 0.602 nan 8.360 nan 0.000 0.418 754 H N 0.000 119.111 119.070 0.068 0.000 2.539 754 H HA 0.000 4.557 4.556 0.002 0.000 0.296 754 H CA 0.000 56.084 56.048 0.059 0.000 1.023 754 H CB 0.000 29.799 29.762 0.063 0.000 1.292 754 H HN 0.000 nan 8.280 nan 0.000 0.496