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 2np6_1_A DATA FIRST_RESID 20 DATA SEQUENCE RVETPPEVVD FMVSLAEAPR GGRVLEPACA HGPFLRAFRE AHGTAYRFVG DATA SEQUENCE VEIDPKALDL PPWAEGILAD FLLWEPGEAF DLILGNPPYG IVGEASKYPI DATA SEQUENCE HVFKAVKDLY KKAFSTWKGK YNLYGAFLEK AVRLLKPGGV LVFVVPATWL DATA SEQUENCE VLEDFALLRE FLAREGKTSV YYLGEVFPQK KVSAVVIRFQ KSGKGLSLWD DATA SEQUENCE TQESESGFTP ILWAEYPHWE GEIIRFETEE TRKLEISGMP LGDLFHIRFA DATA SEQUENCE ARSPEFKKHP AVRKEPGPGL VPVLTGRNLK PGWVDYEKNH SGLWMPKERA DATA SEQUENCE KELRDFYATP HLVVAHTKGT RVVAAWDERA YPWREEFHLL PKEGVRLDPS DATA SEQUENCE SLVQWLNSEA MQKHVRTLYR DFVPHLTLRM LERLPVRREY GFHT 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 20 R HA 0.000 nan 4.340 nan 0.000 0.208 20 R C 0.000 176.063 176.300 -0.396 0.000 0.893 20 R CA 0.000 55.842 56.100 -0.431 0.000 0.921 20 R CB 0.000 29.759 30.300 -0.902 0.000 0.687 21 V N 0.215 120.002 119.914 -0.211 0.000 3.605 21 V HA 0.383 4.509 4.120 0.009 0.000 0.284 21 V C -0.270 175.774 176.094 -0.083 0.000 1.386 21 V CA 0.896 63.089 62.300 -0.178 0.000 1.053 21 V CB 0.135 31.880 31.823 -0.130 0.000 0.857 21 V HN 0.337 nan 8.190 nan 0.000 0.436 22 E N 0.066 120.246 120.200 -0.034 0.000 2.248 22 E HA 0.449 4.805 4.350 0.009 0.000 0.267 22 E C -1.162 175.525 176.600 0.145 0.000 0.877 22 E CA -0.674 55.752 56.400 0.043 0.000 0.759 22 E CB 1.740 31.466 29.700 0.044 0.000 1.182 22 E HN 0.169 nan 8.360 nan 0.000 0.418 23 T N 3.409 118.050 114.554 0.146 0.000 2.799 23 T HA 0.332 4.688 4.350 0.009 0.000 0.286 23 T C -2.342 172.387 174.700 0.049 0.000 0.973 23 T CA -1.450 60.784 62.100 0.222 0.000 1.035 23 T CB 0.934 69.916 68.868 0.191 0.000 0.932 23 T HN 0.351 nan 8.240 nan 0.000 0.469 24 P HA 0.096 nan 4.420 nan 0.000 0.265 24 P C -1.619 175.665 177.300 -0.027 0.000 1.193 24 P CA -1.284 61.801 63.100 -0.025 0.000 0.765 24 P CB 0.144 31.806 31.700 -0.062 0.000 0.823 25 P HA -0.247 nan 4.420 nan 0.000 0.217 25 P C 1.148 178.455 177.300 0.012 0.000 1.151 25 P CA 1.733 64.814 63.100 -0.033 0.000 0.849 25 P CB -0.048 31.637 31.700 -0.025 0.000 0.787 26 E N -0.103 120.131 120.200 0.058 0.000 2.208 26 E HA -0.061 4.294 4.350 0.009 0.000 0.193 26 E C 2.049 178.814 176.600 0.274 0.000 0.988 26 E CA 0.848 57.338 56.400 0.151 0.000 0.828 26 E CB -1.462 28.307 29.700 0.115 0.000 0.763 26 E HN 0.135 nan 8.360 nan 0.000 0.478 27 V N 1.823 121.835 119.914 0.163 0.000 2.270 27 V HA -0.215 3.910 4.120 0.009 0.000 0.245 27 V C 2.737 178.928 176.094 0.162 0.000 1.043 27 V CA 1.443 63.788 62.300 0.076 0.000 1.014 27 V CB -0.572 31.192 31.823 -0.098 0.000 0.645 27 V HN 0.066 nan 8.190 nan 0.000 0.447 28 V N 0.635 120.589 119.914 0.067 0.000 2.250 28 V HA -0.353 3.773 4.120 0.009 0.000 0.250 28 V C 2.344 178.499 176.094 0.102 0.000 1.060 28 V CA 2.532 64.827 62.300 -0.008 0.000 1.030 28 V CB -0.828 30.783 31.823 -0.353 0.000 0.643 28 V HN 0.565 nan 8.190 nan 0.000 0.445 29 D N -0.783 119.668 120.400 0.085 0.000 2.123 29 D HA -0.179 4.466 4.640 0.009 0.000 0.196 29 D C 1.862 178.252 176.300 0.150 0.000 0.992 29 D CA 1.335 55.393 54.000 0.097 0.000 0.833 29 D CB -0.417 40.431 40.800 0.081 0.000 0.954 29 D HN 0.455 nan 8.370 nan 0.000 0.455 30 F N 1.166 121.148 119.950 0.052 0.000 2.095 30 F HA -0.185 4.347 4.527 0.009 0.000 0.298 30 F C 2.321 178.097 175.800 -0.041 0.000 1.104 30 F CA 1.385 59.391 58.000 0.010 0.000 1.232 30 F CB -0.446 38.550 39.000 -0.007 0.000 0.987 30 F HN -0.138 nan 8.300 nan 0.000 0.475 31 M N -0.670 118.856 119.600 -0.122 0.000 2.117 31 M HA -0.206 4.280 4.480 0.009 0.000 0.262 31 M C 2.061 178.325 176.300 -0.060 0.000 1.065 31 M CA 1.577 56.771 55.300 -0.177 0.000 1.114 31 M CB -0.633 32.033 32.600 0.109 0.000 1.361 31 M HN 0.038 nan 8.290 nan 0.000 0.408 32 V N 0.219 120.190 119.914 0.096 0.000 2.407 32 V HA -0.255 3.871 4.120 0.009 0.000 0.248 32 V C 2.521 178.694 176.094 0.131 0.000 1.055 32 V CA 2.133 64.554 62.300 0.202 0.000 1.049 32 V CB -0.975 30.969 31.823 0.202 0.000 0.662 32 V HN 0.655 nan 8.190 nan 0.000 0.455 33 S N -0.238 115.456 115.700 -0.009 0.000 2.469 33 S HA -0.079 4.396 4.470 0.009 0.000 0.238 33 S C 1.711 176.241 174.600 -0.116 0.000 0.998 33 S CA 1.368 59.541 58.200 -0.045 0.000 0.957 33 S CB -0.458 62.708 63.200 -0.058 0.000 0.764 33 S HN 0.581 nan 8.310 nan 0.000 0.514 34 L N 0.645 121.728 121.223 -0.233 0.000 2.513 34 L HA 0.420 4.765 4.340 0.009 0.000 0.222 34 L C 1.319 178.133 176.870 -0.094 0.000 1.096 34 L CA 0.093 54.774 54.840 -0.266 0.000 0.857 34 L CB -0.373 41.371 42.059 -0.525 0.000 1.026 34 L HN 0.333 nan 8.230 nan 0.000 0.469 35 A N 0.807 123.639 122.820 0.020 0.000 2.354 35 A HA 0.460 4.785 4.320 0.009 0.000 0.269 35 A C -0.222 177.435 177.584 0.122 0.000 1.109 35 A CA 0.012 52.105 52.037 0.093 0.000 0.800 35 A CB 0.373 19.498 19.000 0.209 0.000 1.045 35 A HN 0.244 nan 8.150 nan 0.000 0.489 36 E N -0.201 120.025 120.200 0.043 0.000 2.314 36 E HA 0.645 5.000 4.350 0.009 0.000 0.272 36 E C -0.961 175.651 176.600 0.020 0.000 0.884 36 E CA -0.601 55.812 56.400 0.021 0.000 0.753 36 E CB 2.308 32.013 29.700 0.008 0.000 1.213 36 E HN 0.942 nan 8.360 nan 0.000 0.432 37 A N 3.078 125.954 122.820 0.094 0.000 2.520 37 A HA 0.654 4.980 4.320 0.009 0.000 0.298 37 A C -2.679 175.063 177.584 0.263 0.000 1.051 37 A CA -1.264 50.857 52.037 0.139 0.000 0.690 37 A CB 1.140 20.172 19.000 0.052 0.000 1.281 37 A HN 0.413 nan 8.150 nan 0.000 0.402 38 P HA 0.361 nan 4.420 nan 0.000 0.274 38 P C -0.336 177.026 177.300 0.102 0.000 1.237 38 P CA -0.482 62.690 63.100 0.121 0.000 0.793 38 P CB 0.507 32.242 31.700 0.058 0.000 0.977 39 R N 0.634 121.110 120.500 -0.041 0.000 2.538 39 R HA 0.294 4.640 4.340 0.009 0.000 0.282 39 R C 1.464 177.661 176.300 -0.172 0.000 1.009 39 R CA 1.683 57.650 56.100 -0.223 0.000 1.063 39 R CB -1.208 28.997 30.300 -0.159 0.000 0.945 39 R HN 0.857 nan 8.270 nan 0.000 0.414 40 G N 2.169 110.807 108.800 -0.270 0.000 2.184 40 G HA2 -0.262 3.704 3.960 0.009 0.000 0.264 40 G HA3 -0.262 3.704 3.960 0.009 0.000 0.264 40 G C 0.496 175.383 174.900 -0.022 0.000 0.975 40 G CA 0.169 45.197 45.100 -0.121 0.000 0.642 40 G HN 0.986 nan 8.290 nan 0.000 0.536 41 G N -0.408 108.425 108.800 0.056 0.000 2.594 41 G HA2 0.483 4.449 3.960 0.009 0.000 0.243 41 G HA3 0.483 4.449 3.960 0.009 0.000 0.243 41 G C 0.235 175.192 174.900 0.095 0.000 1.229 41 G CA -0.449 44.712 45.100 0.102 0.000 0.843 41 G HN 0.576 nan 8.290 nan 0.000 0.578 42 R N -0.051 120.485 120.500 0.060 0.000 2.234 42 R HA 0.372 4.717 4.340 0.009 0.000 0.324 42 R C -0.751 175.683 176.300 0.223 0.000 1.054 42 R CA -0.399 55.772 56.100 0.118 0.000 0.912 42 R CB 1.418 31.701 30.300 -0.029 0.000 1.030 42 R HN 0.217 nan 8.270 nan 0.000 0.455 43 V N 5.404 125.386 119.914 0.113 0.000 2.409 43 V HA 0.349 4.475 4.120 0.009 0.000 0.291 43 V C -0.678 175.439 176.094 0.038 0.000 1.020 43 V CA -0.877 61.386 62.300 -0.063 0.000 0.848 43 V CB 1.528 33.096 31.823 -0.425 0.000 0.990 43 V HN 0.516 nan 8.190 nan 0.000 0.430 44 L N 3.856 125.005 121.223 -0.122 0.000 2.346 44 L HA 0.667 5.013 4.340 0.009 0.000 0.276 44 L C -0.320 176.452 176.870 -0.164 0.000 1.006 44 L CA 0.002 54.680 54.840 -0.269 0.000 0.817 44 L CB 1.884 43.446 42.059 -0.829 0.000 1.272 44 L HN 0.782 nan 8.230 nan 0.000 0.421 45 E N 6.140 126.268 120.200 -0.119 0.000 2.145 45 E HA 0.471 4.827 4.350 0.009 0.000 0.262 45 E C -2.562 173.897 176.600 -0.236 0.000 0.883 45 E CA -2.253 54.069 56.400 -0.129 0.000 0.748 45 E CB 1.422 31.110 29.700 -0.020 0.000 1.140 45 E HN 0.413 nan 8.360 nan 0.000 0.417 46 P HA 0.134 nan 4.420 nan 0.000 0.277 46 P C -0.731 176.398 177.300 -0.285 0.000 1.240 46 P CA 0.077 62.844 63.100 -0.556 0.000 0.798 46 P CB 1.169 32.140 31.700 -1.214 0.000 0.979 47 A N 1.297 124.032 122.820 -0.141 0.000 2.687 47 A HA -0.257 4.069 4.320 0.009 0.000 0.299 47 A C 1.484 178.984 177.584 -0.139 0.000 1.497 47 A CA 1.058 53.030 52.037 -0.109 0.000 0.751 47 A CB -2.430 16.438 19.000 -0.220 0.000 1.048 47 A HN 0.797 nan 8.150 nan 0.000 0.464 48 C N -2.870 116.357 119.300 -0.122 0.000 2.450 48 C HA 0.404 4.869 4.460 0.009 0.000 0.279 48 C C 2.451 177.380 174.990 -0.101 0.000 1.335 48 C CA 0.823 59.779 59.018 -0.104 0.000 1.749 48 C CB -1.383 26.297 27.740 -0.099 0.000 1.963 48 C HN 2.638 nan 8.230 nan 0.000 0.501 49 A N 2.383 125.163 122.820 -0.066 0.000 5.195 49 A HA -0.426 3.899 4.320 0.009 0.000 0.339 49 A C 1.496 179.078 177.584 -0.004 0.000 1.740 49 A CA 2.913 54.942 52.037 -0.014 0.000 0.704 49 A CB -2.493 16.535 19.000 0.045 0.000 1.441 49 A HN 1.369 nan 8.150 nan 0.000 0.397 50 H N 0.094 119.131 119.070 -0.056 0.000 2.551 50 H HA 0.445 5.007 4.556 0.010 0.000 0.266 50 H C 1.265 176.556 175.328 -0.062 0.000 0.977 50 H CA 1.062 57.070 56.048 -0.066 0.000 1.163 50 H CB -0.483 29.242 29.762 -0.061 0.000 1.381 50 H HN 2.375 nan 8.280 nan 0.000 0.581 51 G N 1.624 110.191 108.800 -0.388 0.000 2.368 51 G HA2 -0.207 3.758 3.960 0.009 0.000 0.290 51 G HA3 -0.207 3.758 3.960 0.009 0.000 0.290 51 G C -1.381 173.376 174.900 -0.239 0.000 1.098 51 G CA 0.059 45.020 45.100 -0.232 0.000 1.073 51 G HN 0.501 nan 8.290 nan 0.000 0.511 52 P HA 0.007 nan 4.420 nan 0.000 0.225 52 P C 1.528 178.695 177.300 -0.221 0.000 1.156 52 P CA 0.658 63.564 63.100 -0.323 0.000 0.787 52 P CB 0.012 31.460 31.700 -0.419 0.000 0.802 53 F N -0.026 119.899 119.950 -0.041 0.000 2.163 53 F HA -0.010 4.522 4.527 0.008 0.000 0.297 53 F C 2.511 178.386 175.800 0.124 0.000 1.094 53 F CA 1.001 59.023 58.000 0.037 0.000 1.290 53 F CB -1.283 37.721 39.000 0.007 0.000 1.017 53 F HN -0.271 nan 8.300 nan 0.000 0.483 54 L N -0.384 121.020 121.223 0.302 0.000 2.046 54 L HA -0.193 4.152 4.340 0.009 0.000 0.208 54 L C 2.485 179.520 176.870 0.275 0.000 1.077 54 L CA 1.376 56.426 54.840 0.349 0.000 0.747 54 L CB -0.668 41.610 42.059 0.365 0.000 0.896 54 L HN 0.020 nan 8.230 nan 0.000 0.432 55 R N 0.083 120.735 120.500 0.253 0.000 2.073 55 R HA -0.119 4.226 4.340 0.009 0.000 0.234 55 R C 2.491 178.835 176.300 0.074 0.000 1.134 55 R CA 1.388 57.613 56.100 0.210 0.000 0.952 55 R CB -0.582 29.822 30.300 0.173 0.000 0.850 55 R HN 0.359 nan 8.270 nan 0.000 0.433 56 A N 0.575 123.439 122.820 0.075 0.000 1.933 56 A HA -0.180 4.145 4.320 0.009 0.000 0.218 56 A C 1.975 179.615 177.584 0.093 0.000 1.175 56 A CA 1.069 53.134 52.037 0.046 0.000 0.628 56 A CB -0.586 18.422 19.000 0.013 0.000 0.814 56 A HN 0.356 nan 8.150 nan 0.000 0.444 57 F N 0.226 120.218 119.950 0.071 0.000 2.146 57 F HA -0.090 4.443 4.527 0.009 0.000 0.298 57 F C 2.373 178.237 175.800 0.107 0.000 1.096 57 F CA 1.854 59.940 58.000 0.142 0.000 1.275 57 F CB -0.160 38.968 39.000 0.214 0.000 1.008 57 F HN 0.173 nan 8.300 nan 0.000 0.480 58 R N 0.331 120.894 120.500 0.105 0.000 2.073 58 R HA -0.154 4.191 4.340 0.009 0.000 0.234 58 R C 2.200 178.401 176.300 -0.165 0.000 1.134 58 R CA 1.703 57.722 56.100 -0.134 0.000 0.952 58 R CB -0.283 29.562 30.300 -0.759 0.000 0.850 58 R HN 0.207 nan 8.270 nan 0.000 0.433 59 E N 0.098 120.206 120.200 -0.153 0.000 2.118 59 E HA -0.202 4.154 4.350 0.009 0.000 0.195 59 E C 1.739 178.238 176.600 -0.167 0.000 0.992 59 E CA 1.535 57.855 56.400 -0.133 0.000 0.804 59 E CB -0.164 29.481 29.700 -0.091 0.000 0.741 59 E HN 0.482 nan 8.360 nan 0.000 0.458 60 A N -0.121 122.548 122.820 -0.251 0.000 1.943 60 A HA -0.050 4.276 4.320 0.009 0.000 0.213 60 A C 1.316 178.552 177.584 -0.579 0.000 1.181 60 A CA 0.991 52.767 52.037 -0.435 0.000 0.653 60 A CB -0.251 18.413 19.000 -0.561 0.000 0.833 60 A HN 0.246 nan 8.150 nan 0.000 0.451 61 H N -2.061 116.820 119.070 -0.315 0.000 3.058 61 H HA 0.436 4.997 4.556 0.007 0.000 0.266 61 H C 0.997 176.360 175.328 0.058 0.000 1.135 61 H CA 0.261 56.165 56.048 -0.241 0.000 1.174 61 H CB 0.850 30.209 29.762 -0.670 0.000 1.581 61 H HN 0.753 nan 8.280 nan 0.000 0.553 62 G N 0.364 109.239 108.800 0.124 0.000 2.582 62 G HA2 -0.296 3.670 3.960 0.009 0.000 0.222 62 G HA3 -0.296 3.670 3.960 0.009 0.000 0.222 62 G C 0.896 175.973 174.900 0.295 0.000 1.311 62 G CA 0.030 45.220 45.100 0.150 0.000 0.915 62 G HN 0.360 nan 8.290 nan 0.000 0.528 63 T N -2.614 112.053 114.554 0.188 0.000 3.001 63 T HA 0.589 4.944 4.350 0.009 0.000 0.251 63 T C 1.514 176.372 174.700 0.263 0.000 1.040 63 T CA 1.411 63.647 62.100 0.228 0.000 0.985 63 T CB 0.473 69.361 68.868 0.033 0.000 1.011 63 T HN 2.156 nan 8.240 nan 0.000 0.509 64 A N 1.277 124.107 122.820 0.017 0.000 3.063 64 A HA 0.604 4.930 4.320 0.009 0.000 0.263 64 A C -0.927 176.356 177.584 -0.502 0.000 1.736 64 A CA -0.492 51.434 52.037 -0.186 0.000 1.408 64 A CB -1.164 17.697 19.000 -0.232 0.000 1.108 64 A HN 0.622 nan 8.150 nan 0.000 0.621 65 Y N -1.354 118.941 120.300 -0.008 0.000 2.625 65 Y HA 0.610 5.165 4.550 0.008 0.000 0.338 65 Y C 0.053 175.803 175.900 -0.249 0.000 1.123 65 Y CA -1.252 56.709 58.100 -0.232 0.000 1.046 65 Y CB 1.367 39.487 38.460 -0.565 0.000 1.299 65 Y HN 0.343 nan 8.280 nan 0.000 0.464 66 R N 1.438 121.908 120.500 -0.050 0.000 2.204 66 R HA 0.461 4.807 4.340 0.009 0.000 0.341 66 R C -2.149 174.166 176.300 0.026 0.000 1.035 66 R CA -0.666 55.467 56.100 0.055 0.000 0.887 66 R CB -0.605 29.749 30.300 0.091 0.000 1.114 66 R HN 0.450 nan 8.270 nan 0.000 0.473 67 F N 4.099 124.249 119.950 0.333 0.000 2.411 67 F HA 0.426 4.958 4.527 0.009 0.000 0.350 67 F C -0.012 175.957 175.800 0.282 0.000 1.114 67 F CA -0.545 57.659 58.000 0.339 0.000 1.135 67 F CB 1.483 40.793 39.000 0.516 0.000 1.120 67 F HN 0.083 nan 8.300 nan 0.000 0.495 68 V N 2.237 122.381 119.914 0.384 0.000 2.588 68 V HA 0.810 4.935 4.120 0.009 0.000 0.304 68 V C -0.032 176.117 176.094 0.093 0.000 1.042 68 V CA -0.902 61.553 62.300 0.258 0.000 0.877 68 V CB 1.888 33.946 31.823 0.391 0.000 0.996 68 V HN 0.873 nan 8.190 nan 0.000 0.425 69 G N 2.633 111.442 108.800 0.015 0.000 2.626 69 G HA2 0.606 4.571 3.960 0.009 0.000 0.304 69 G HA3 0.606 4.571 3.960 0.009 0.000 0.304 69 G C -1.274 173.522 174.900 -0.173 0.000 1.385 69 G CA -0.466 44.586 45.100 -0.080 0.000 0.957 69 G HN 0.526 nan 8.290 nan 0.000 0.504 70 V N 2.110 121.867 119.914 -0.261 0.000 2.370 70 V HA 0.561 4.687 4.120 0.009 0.000 0.279 70 V C -0.239 175.748 176.094 -0.177 0.000 1.029 70 V CA -0.502 61.601 62.300 -0.328 0.000 0.870 70 V CB 1.242 32.750 31.823 -0.524 0.000 0.984 70 V HN 0.851 nan 8.190 nan 0.000 0.451 71 E N 3.594 123.717 120.200 -0.129 0.000 2.292 71 E HA 0.440 4.796 4.350 0.009 0.000 0.272 71 E C 0.010 176.596 176.600 -0.023 0.000 0.881 71 E CA -0.540 55.825 56.400 -0.057 0.000 0.754 71 E CB 1.977 31.644 29.700 -0.056 0.000 1.201 71 E HN 0.472 nan 8.360 nan 0.000 0.425 72 I N 1.646 122.230 120.570 0.023 0.000 2.852 72 I HA 0.101 4.277 4.170 0.009 0.000 0.264 72 I C -0.105 176.031 176.117 0.031 0.000 1.179 72 I CA 0.512 61.841 61.300 0.048 0.000 1.480 72 I CB 0.519 38.578 38.000 0.099 0.000 1.111 72 I HN 0.482 nan 8.210 nan 0.000 0.441 73 D N 1.035 121.445 120.400 0.017 0.000 2.392 73 D HA 0.186 4.832 4.640 0.009 0.000 0.228 73 D C -1.714 174.587 176.300 0.001 0.000 1.074 73 D CA -2.669 51.338 54.000 0.011 0.000 0.838 73 D CB 1.512 42.316 40.800 0.007 0.000 1.067 73 D HN 0.014 nan 8.370 nan 0.000 0.511 74 P HA -0.123 nan 4.420 nan 0.000 0.222 74 P C 0.892 178.189 177.300 -0.006 0.000 1.147 74 P CA 0.749 63.848 63.100 -0.003 0.000 0.790 74 P CB 0.484 32.185 31.700 0.003 0.000 0.780 75 K N -0.281 120.117 120.400 -0.004 0.000 2.211 75 K HA 0.000 4.326 4.320 0.009 0.000 0.203 75 K C 2.101 178.695 176.600 -0.010 0.000 1.050 75 K CA 1.287 57.570 56.287 -0.007 0.000 0.945 75 K CB -0.203 32.293 32.500 -0.006 0.000 0.732 75 K HN 0.085 nan 8.250 nan 0.000 0.451 76 A N 0.871 123.686 122.820 -0.007 0.000 1.956 76 A HA 0.040 4.366 4.320 0.009 0.000 0.212 76 A C 0.785 178.369 177.584 0.001 0.000 1.188 76 A CA -0.138 51.897 52.037 -0.003 0.000 0.675 76 A CB -0.023 18.974 19.000 -0.005 0.000 0.845 76 A HN 0.192 nan 8.150 nan 0.000 0.455 77 L N 1.268 122.483 121.223 -0.013 0.000 2.534 77 L HA 0.306 4.652 4.340 0.009 0.000 0.271 77 L C -0.893 175.963 176.870 -0.024 0.000 1.178 77 L CA 0.673 55.498 54.840 -0.024 0.000 0.907 77 L CB 0.168 42.207 42.059 -0.034 0.000 1.164 77 L HN 0.228 nan 8.230 nan 0.000 0.482 78 D N 4.481 124.866 120.400 -0.024 0.000 3.250 78 D HA 0.213 4.858 4.640 0.009 0.000 0.252 78 D C -1.041 175.223 176.300 -0.059 0.000 1.342 78 D CA -0.217 53.766 54.000 -0.029 0.000 0.807 78 D CB -0.034 40.766 40.800 -0.001 0.000 1.449 78 D HN 0.416 nan 8.370 nan 0.000 0.610 79 L N 1.113 122.261 121.223 -0.126 0.000 2.399 79 L HA 0.600 4.946 4.340 0.009 0.000 0.265 79 L C -1.606 175.059 176.870 -0.342 0.000 1.089 79 L CA -1.698 52.996 54.840 -0.243 0.000 0.802 79 L CB 0.634 42.539 42.059 -0.257 0.000 1.180 79 L HN 0.085 nan 8.230 nan 0.000 0.454 80 P HA 0.090 nan 4.420 nan 0.000 0.270 80 P C -2.103 174.785 177.300 -0.687 0.000 1.223 80 P CA -1.067 61.600 63.100 -0.722 0.000 0.785 80 P CB -0.065 30.828 31.700 -1.344 0.000 0.923 81 P HA -0.106 nan 4.420 nan 0.000 0.230 81 P C 1.036 178.292 177.300 -0.074 0.000 1.158 81 P CA 1.246 64.243 63.100 -0.171 0.000 0.769 81 P CB -0.291 31.383 31.700 -0.044 0.000 0.807 82 W N -0.191 121.136 121.300 0.044 0.000 2.800 82 W HA 0.461 5.128 4.660 0.012 0.000 0.249 82 W C 0.031 176.626 176.519 0.126 0.000 1.294 82 W CA -0.226 57.165 57.345 0.076 0.000 1.402 82 W CB -0.663 28.828 29.460 0.052 0.000 1.126 82 W HN -0.120 nan 8.180 nan 0.000 0.652 83 A N 1.617 124.409 122.820 -0.047 0.000 2.320 83 A HA 0.420 4.746 4.320 0.009 0.000 0.334 83 A C -0.672 176.940 177.584 0.048 0.000 1.147 83 A CA -0.674 51.416 52.037 0.088 0.000 0.820 83 A CB 1.309 20.155 19.000 -0.257 0.000 1.218 83 A HN 0.232 nan 8.150 nan 0.000 0.482 84 E N 1.571 121.856 120.200 0.142 0.000 2.109 84 E HA 0.487 4.842 4.350 0.009 0.000 0.278 84 E C 0.045 176.678 176.600 0.055 0.000 0.954 84 E CA -0.501 55.962 56.400 0.106 0.000 0.779 84 E CB 0.973 30.775 29.700 0.170 0.000 1.093 84 E HN 0.745 nan 8.360 nan 0.000 0.401 85 G N 4.783 113.586 108.800 0.005 0.000 2.332 85 G HA2 0.525 4.490 3.960 0.009 0.000 0.310 85 G HA3 0.525 4.490 3.960 0.009 0.000 0.310 85 G C -0.536 174.345 174.900 -0.033 0.000 1.123 85 G CA -0.578 44.502 45.100 -0.034 0.000 0.873 85 G HN 0.591 nan 8.290 nan 0.000 0.460 86 I N 2.157 122.673 120.570 -0.089 0.000 2.439 86 I HA 0.221 4.396 4.170 0.009 0.000 0.285 86 I C -0.314 175.716 176.117 -0.145 0.000 1.021 86 I CA -0.543 60.685 61.300 -0.120 0.000 1.091 86 I CB 2.245 40.101 38.000 -0.241 0.000 1.242 86 I HN 0.162 nan 8.210 nan 0.000 0.439 87 L N 6.850 128.029 121.223 -0.073 0.000 2.312 87 L HA 0.680 5.026 4.340 0.009 0.000 0.287 87 L C 0.220 177.069 176.870 -0.035 0.000 1.091 87 L CA 0.094 54.905 54.840 -0.047 0.000 0.846 87 L CB 0.322 42.375 42.059 -0.010 0.000 1.219 87 L HN 0.780 nan 8.230 nan 0.000 0.439 88 A N 2.417 125.203 122.820 -0.057 0.000 2.586 88 A HA 0.391 4.716 4.320 0.009 0.000 0.290 88 A C -1.583 176.035 177.584 0.057 0.000 1.086 88 A CA -0.717 51.321 52.037 0.000 0.000 0.665 88 A CB 1.385 20.360 19.000 -0.041 0.000 1.279 88 A HN 0.427 nan 8.150 nan 0.000 0.423 89 D N 0.567 121.051 120.400 0.139 0.000 2.336 89 D HA 0.238 4.883 4.640 0.009 0.000 0.249 89 D C 0.818 177.256 176.300 0.230 0.000 1.213 89 D CA -0.273 53.851 54.000 0.205 0.000 0.870 89 D CB 0.233 41.181 40.800 0.246 0.000 1.076 89 D HN 0.397 nan 8.370 nan 0.000 0.483 90 F N 4.399 124.375 119.950 0.044 0.000 2.154 90 F HA -0.206 4.326 4.527 0.009 0.000 0.301 90 F C 1.571 177.399 175.800 0.047 0.000 1.087 90 F CA 1.468 59.476 58.000 0.014 0.000 1.274 90 F CB -0.092 38.810 39.000 -0.164 0.000 1.009 90 F HN 0.471 nan 8.300 nan 0.000 0.485 91 L N -0.499 120.624 121.223 -0.168 0.000 2.291 91 L HA -0.128 4.218 4.340 0.009 0.000 0.214 91 L C 1.809 178.689 176.870 0.016 0.000 1.120 91 L CA 0.743 55.508 54.840 -0.124 0.000 0.799 91 L CB -0.492 41.481 42.059 -0.143 0.000 0.925 91 L HN 0.197 nan 8.230 nan 0.000 0.446 92 L N -2.238 119.047 121.223 0.103 0.000 2.693 92 L HA 0.119 4.464 4.340 0.009 0.000 0.235 92 L C 0.248 177.183 176.870 0.109 0.000 1.127 92 L CA -0.538 54.354 54.840 0.085 0.000 0.914 92 L CB 0.112 42.254 42.059 0.139 0.000 1.193 92 L HN 0.241 nan 8.230 nan 0.000 0.502 93 W N 2.590 123.842 121.300 -0.079 0.000 2.266 93 W HA 0.195 4.860 4.660 0.009 0.000 0.317 93 W C 0.120 176.610 176.519 -0.050 0.000 1.310 93 W CA -0.204 57.120 57.345 -0.035 0.000 1.207 93 W CB 0.711 30.178 29.460 0.013 0.000 1.199 93 W HN -0.117 nan 8.180 nan 0.000 0.544 94 E N 7.996 127.926 120.200 -0.449 0.000 2.376 94 E HA 0.218 4.573 4.350 0.009 0.000 0.236 94 E C -2.052 174.107 176.600 -0.734 0.000 0.962 94 E CA -1.768 54.318 56.400 -0.524 0.000 0.768 94 E CB 0.438 29.996 29.700 -0.237 0.000 1.236 94 E HN 0.344 nan 8.360 nan 0.000 0.431 95 P HA 0.061 nan 4.420 nan 0.000 0.269 95 P C 1.053 178.158 177.300 -0.324 0.000 1.215 95 P CA -0.136 62.500 63.100 -0.774 0.000 0.780 95 P CB 1.043 32.273 31.700 -0.784 0.000 0.898 96 G N 0.947 109.652 108.800 -0.158 0.000 2.418 96 G HA2 -0.146 3.820 3.960 0.009 0.000 0.217 96 G HA3 -0.146 3.820 3.960 0.009 0.000 0.217 96 G C 0.445 175.261 174.900 -0.139 0.000 1.158 96 G CA 0.586 45.620 45.100 -0.111 0.000 0.771 96 G HN 0.689 nan 8.290 nan 0.000 0.545 97 E N -0.732 119.354 120.200 -0.191 0.000 2.317 97 E HA 0.595 4.950 4.350 0.009 0.000 0.270 97 E C -0.395 176.001 176.600 -0.341 0.000 0.885 97 E CA -0.908 55.352 56.400 -0.232 0.000 0.760 97 E CB 1.993 31.553 29.700 -0.234 0.000 1.227 97 E HN 0.167 nan 8.360 nan 0.000 0.434 98 A N 2.366 125.050 122.820 -0.227 0.000 2.327 98 A HA 0.491 4.816 4.320 0.009 0.000 0.255 98 A C -0.914 176.514 177.584 -0.261 0.000 1.099 98 A CA 0.005 51.972 52.037 -0.117 0.000 0.801 98 A CB 0.154 19.145 19.000 -0.016 0.000 1.062 98 A HN 0.477 nan 8.150 nan 0.000 0.496 99 F N -0.965 119.008 119.950 0.037 0.000 2.538 99 F HA 0.327 4.859 4.527 0.008 0.000 0.325 99 F C 1.031 176.842 175.800 0.019 0.000 1.066 99 F CA -0.515 57.511 58.000 0.042 0.000 0.946 99 F CB 1.929 40.975 39.000 0.078 0.000 1.199 99 F HN 0.666 nan 8.300 nan 0.000 0.473 100 D N 0.731 121.238 120.400 0.177 0.000 2.183 100 D HA 0.032 4.677 4.640 0.009 0.000 0.205 100 D C -0.128 176.205 176.300 0.054 0.000 0.962 100 D CA 1.249 55.300 54.000 0.086 0.000 0.849 100 D CB 0.599 41.432 40.800 0.055 0.000 0.978 100 D HN 0.126 nan 8.370 nan 0.000 0.488 101 L N 0.684 121.929 121.223 0.037 0.000 2.431 101 L HA 0.443 4.788 4.340 0.009 0.000 0.266 101 L C -1.652 175.175 176.870 -0.073 0.000 0.978 101 L CA -0.567 54.229 54.840 -0.074 0.000 0.822 101 L CB 2.277 44.182 42.059 -0.257 0.000 1.310 101 L HN -0.227 nan 8.230 nan 0.000 0.409 102 I N 6.110 126.622 120.570 -0.096 0.000 2.466 102 I HA 0.569 4.745 4.170 0.009 0.000 0.289 102 I C -1.356 174.687 176.117 -0.123 0.000 1.026 102 I CA -0.759 60.467 61.300 -0.123 0.000 1.078 102 I CB 1.833 39.765 38.000 -0.113 0.000 1.249 102 I HN 0.433 nan 8.210 nan 0.000 0.429 103 L N 4.112 125.298 121.223 -0.063 0.000 2.445 103 L HA 1.120 5.465 4.340 0.009 0.000 0.262 103 L C -0.264 176.478 176.870 -0.214 0.000 0.974 103 L CA -0.907 53.898 54.840 -0.059 0.000 0.822 103 L CB 1.039 43.020 42.059 -0.130 0.000 1.339 103 L HN 0.734 nan 8.230 nan 0.000 0.409 104 G N 0.722 109.206 108.800 -0.527 0.000 2.315 104 G HA2 0.243 4.208 3.960 0.009 0.000 0.294 104 G HA3 0.243 4.208 3.960 0.009 0.000 0.294 104 G C -2.108 172.127 174.900 -1.107 0.000 1.300 104 G CA -0.772 43.671 45.100 -1.096 0.000 0.843 104 G HN 0.916 nan 8.290 nan 0.000 0.527 105 N N 1.537 119.772 118.700 -0.775 0.000 2.626 105 N HA 0.490 5.236 4.740 0.009 0.000 0.249 105 N C -2.480 172.649 175.510 -0.636 0.000 1.021 105 N CA -1.547 51.206 53.050 -0.496 0.000 0.886 105 N CB 2.043 40.481 38.487 -0.081 0.000 1.149 105 N HN 0.302 nan 8.380 nan 0.000 0.517 106 P HA 0.150 nan 4.420 nan 0.000 0.269 106 P C -2.787 174.087 177.300 -0.710 0.000 1.215 106 P CA -0.967 61.589 63.100 -0.908 0.000 0.780 106 P CB 0.183 31.469 31.700 -0.692 0.000 0.898 107 P HA 0.059 nan 4.420 nan 0.000 0.268 107 P C -0.937 176.250 177.300 -0.189 0.000 1.205 107 P CA 0.557 63.344 63.100 -0.520 0.000 0.771 107 P CB 0.066 31.527 31.700 -0.398 0.000 0.858 108 Y N 1.003 121.176 120.300 -0.212 0.000 2.420 108 Y HA 0.766 5.322 4.550 0.009 0.000 0.334 108 Y C 1.201 177.079 175.900 -0.037 0.000 1.094 108 Y CA -1.195 56.865 58.100 -0.067 0.000 1.126 108 Y CB 1.565 39.976 38.460 -0.083 0.000 1.217 108 Y HN 0.786 nan 8.280 nan 0.000 0.462 109 G N 1.085 109.994 108.800 0.181 0.000 2.337 109 G HA2 0.235 4.200 3.960 0.009 0.000 0.310 109 G HA3 0.235 4.200 3.960 0.009 0.000 0.310 109 G C -1.907 173.032 174.900 0.064 0.000 1.534 109 G CA -1.209 43.959 45.100 0.114 0.000 0.982 109 G HN 0.524 nan 8.290 nan 0.000 0.672 110 I N 0.692 121.304 120.570 0.071 0.000 2.395 110 I HA 0.306 4.481 4.170 0.009 0.000 0.289 110 I C 0.706 176.856 176.117 0.055 0.000 1.023 110 I CA -0.795 60.497 61.300 -0.013 0.000 1.350 110 I CB 1.651 39.555 38.000 -0.161 0.000 1.409 110 I HN 0.269 nan 8.210 nan 0.000 0.507 111 V N 6.436 126.412 119.914 0.104 0.000 2.439 111 V HA 0.623 4.749 4.120 0.009 0.000 0.271 111 V C 0.690 176.864 176.094 0.134 0.000 1.040 111 V CA 0.108 62.529 62.300 0.201 0.000 1.002 111 V CB -0.088 31.961 31.823 0.377 0.000 1.000 111 V HN 1.016 nan 8.190 nan 0.000 0.477 112 G N 3.543 112.476 108.800 0.221 0.000 2.430 112 G HA2 0.400 4.366 3.960 0.009 0.000 0.300 112 G HA3 0.400 4.366 3.960 0.009 0.000 0.300 112 G C -0.928 174.200 174.900 0.380 0.000 1.330 112 G CA -0.777 44.489 45.100 0.277 0.000 0.813 112 G HN 0.656 nan 8.290 nan 0.000 0.487 113 E N 0.140 120.541 120.200 0.336 0.000 2.529 113 E HA 0.297 4.653 4.350 0.009 0.000 0.259 113 E C 1.565 178.258 176.600 0.155 0.000 0.966 113 E CA 0.454 56.971 56.400 0.195 0.000 0.937 113 E CB 0.980 30.768 29.700 0.147 0.000 0.923 113 E HN 0.749 nan 8.360 nan 0.000 0.468 114 A N 3.714 126.508 122.820 -0.043 0.000 2.131 114 A HA -0.201 4.125 4.320 0.009 0.000 0.220 114 A C 2.079 179.626 177.584 -0.061 0.000 1.158 114 A CA 1.752 53.641 52.037 -0.246 0.000 0.665 114 A CB -0.577 18.044 19.000 -0.633 0.000 0.795 114 A HN 0.729 nan 8.150 nan 0.000 0.460 115 S N -1.667 114.010 115.700 -0.040 0.000 2.489 115 S HA 0.017 4.492 4.470 0.009 0.000 0.228 115 S C 1.489 176.045 174.600 -0.074 0.000 0.995 115 S CA 1.421 59.596 58.200 -0.041 0.000 0.934 115 S CB 0.072 63.254 63.200 -0.030 0.000 0.771 115 S HN 0.476 nan 8.310 nan 0.000 0.522 116 K N -0.683 119.639 120.400 -0.130 0.000 2.550 116 K HA 0.388 4.713 4.320 0.009 0.000 0.205 116 K C -0.865 175.444 176.600 -0.485 0.000 1.429 116 K CA -0.019 56.037 56.287 -0.385 0.000 0.997 116 K CB 0.534 32.658 32.500 -0.626 0.000 1.328 116 K HN 0.452 nan 8.250 nan 0.000 0.546 117 Y N 0.439 120.824 120.300 0.141 0.000 2.485 117 Y HA 0.339 4.895 4.550 0.009 0.000 0.345 117 Y C -1.813 174.220 175.900 0.221 0.000 0.998 117 Y CA -2.384 55.809 58.100 0.155 0.000 1.059 117 Y CB 1.927 40.474 38.460 0.145 0.000 1.234 117 Y HN -0.103 nan 8.280 nan 0.000 0.461 118 P HA -0.007 nan 4.420 nan 0.000 0.227 118 P C -0.023 177.034 177.300 -0.404 0.000 1.161 118 P CA 1.200 64.316 63.100 0.027 0.000 0.788 118 P CB 0.948 32.669 31.700 0.036 0.000 0.822 119 I N 1.498 121.956 120.570 -0.187 0.000 2.315 119 I HA 0.213 4.389 4.170 0.009 0.000 0.291 119 I C 0.035 176.095 176.117 -0.096 0.000 1.006 119 I CA -0.893 60.280 61.300 -0.212 0.000 1.265 119 I CB -0.043 37.978 38.000 0.035 0.000 1.387 119 I HN 0.031 nan 8.210 nan 0.000 0.475 120 H N 5.180 124.301 119.070 0.086 0.000 2.887 120 H HA 0.591 5.153 4.556 0.010 0.000 0.300 120 H C -0.238 175.078 175.328 -0.019 0.000 1.038 120 H CA -0.827 55.244 56.048 0.038 0.000 1.352 120 H CB 1.793 31.560 29.762 0.008 0.000 1.473 120 H HN 0.467 nan 8.280 nan 0.000 0.503 121 V N 0.070 120.033 119.914 0.082 0.000 3.001 121 V HA 0.540 4.666 4.120 0.009 0.000 0.314 121 V C -0.187 175.888 176.094 -0.031 0.000 1.099 121 V CA -1.225 61.057 62.300 -0.030 0.000 0.989 121 V CB 1.376 33.199 31.823 0.001 0.000 1.040 121 V HN 0.526 nan 8.190 nan 0.000 0.434 122 F N 1.468 121.419 119.950 0.003 0.000 2.628 122 F HA 0.160 4.693 4.527 0.009 0.000 0.362 122 F C 1.956 177.727 175.800 -0.048 0.000 1.148 122 F CA 0.768 58.758 58.000 -0.017 0.000 1.352 122 F CB 0.636 39.616 39.000 -0.032 0.000 1.081 122 F HN 0.819 nan 8.300 nan 0.000 0.605 123 K N 2.215 122.730 120.400 0.192 0.000 2.113 123 K HA -0.238 4.087 4.320 0.009 0.000 0.208 123 K C 1.995 178.589 176.600 -0.009 0.000 1.047 123 K CA 1.455 57.779 56.287 0.062 0.000 0.928 123 K CB -0.252 32.276 32.500 0.047 0.000 0.716 123 K HN 0.770 nan 8.250 nan 0.000 0.446 124 A N 0.503 123.321 122.820 -0.004 0.000 1.972 124 A HA -0.093 4.232 4.320 0.009 0.000 0.219 124 A C 2.161 179.677 177.584 -0.114 0.000 1.169 124 A CA 1.576 53.572 52.037 -0.068 0.000 0.635 124 A CB -0.412 18.537 19.000 -0.085 0.000 0.810 124 A HN 0.188 nan 8.150 nan 0.000 0.446 125 V N 0.062 119.912 119.914 -0.107 0.000 2.379 125 V HA -0.214 3.911 4.120 0.009 0.000 0.245 125 V C 2.472 178.233 176.094 -0.554 0.000 1.044 125 V CA 2.192 64.321 62.300 -0.286 0.000 1.036 125 V CB -0.632 31.051 31.823 -0.234 0.000 0.664 125 V HN 0.660 nan 8.190 nan 0.000 0.453 126 K N -0.039 120.128 120.400 -0.388 0.000 2.097 126 K HA -0.219 4.107 4.320 0.009 0.000 0.205 126 K C 1.817 178.206 176.600 -0.351 0.000 1.050 126 K CA 1.686 57.758 56.287 -0.358 0.000 0.938 126 K CB -0.193 32.241 32.500 -0.110 0.000 0.718 126 K HN 0.424 nan 8.250 nan 0.000 0.442 127 D N 1.153 121.402 120.400 -0.252 0.000 2.104 127 D HA -0.189 4.457 4.640 0.009 0.000 0.194 127 D C 1.953 178.102 176.300 -0.252 0.000 0.994 127 D CA 1.035 54.899 54.000 -0.228 0.000 0.830 127 D CB -0.224 40.484 40.800 -0.153 0.000 0.959 127 D HN 0.216 nan 8.370 nan 0.000 0.452 128 L N -0.020 121.057 121.223 -0.243 0.000 2.042 128 L HA -0.238 4.107 4.340 0.009 0.000 0.210 128 L C 2.523 179.284 176.870 -0.182 0.000 1.076 128 L CA 1.045 55.760 54.840 -0.209 0.000 0.749 128 L CB -0.443 41.508 42.059 -0.180 0.000 0.893 128 L HN 0.113 nan 8.230 nan 0.000 0.432 129 Y N 0.435 120.552 120.300 -0.306 0.000 2.145 129 Y HA -0.207 4.349 4.550 0.010 0.000 0.286 129 Y C 2.584 178.167 175.900 -0.529 0.000 1.145 129 Y CA 0.763 58.658 58.100 -0.342 0.000 1.148 129 Y CB -0.719 37.569 38.460 -0.286 0.000 0.981 129 Y HN 0.129 nan 8.280 nan 0.000 0.507 130 K N 0.195 120.239 120.400 -0.592 0.000 2.147 130 K HA -0.194 4.131 4.320 0.009 0.000 0.205 130 K C 2.165 178.574 176.600 -0.318 0.000 1.049 130 K CA 1.301 57.197 56.287 -0.652 0.000 0.936 130 K CB -0.117 31.988 32.500 -0.658 0.000 0.722 130 K HN 0.202 nan 8.250 nan 0.000 0.446 131 K N 0.718 120.947 120.400 -0.285 0.000 2.155 131 K HA -0.064 4.261 4.320 0.009 0.000 0.203 131 K C 1.948 178.382 176.600 -0.276 0.000 1.052 131 K CA 1.014 57.165 56.287 -0.227 0.000 0.948 131 K CB 0.035 32.418 32.500 -0.195 0.000 0.728 131 K HN 0.089 nan 8.250 nan 0.000 0.448 132 A N 0.359 122.915 122.820 -0.441 0.000 2.016 132 A HA 0.069 4.395 4.320 0.009 0.000 0.217 132 A C 0.110 177.253 177.584 -0.736 0.000 1.162 132 A CA 0.510 52.127 52.037 -0.699 0.000 0.662 132 A CB -0.010 18.344 19.000 -1.077 0.000 0.812 132 A HN 0.187 nan 8.150 nan 0.000 0.450 133 F N 0.001 119.907 119.950 -0.073 0.000 2.375 133 F HA 0.325 4.857 4.527 0.009 0.000 0.361 133 F C 1.517 177.258 175.800 -0.099 0.000 1.117 133 F CA -0.740 57.217 58.000 -0.071 0.000 1.037 133 F CB 1.412 40.449 39.000 0.060 0.000 1.192 133 F HN 0.111 nan 8.300 nan 0.000 0.452 134 S N -0.087 115.623 115.700 0.017 0.000 2.447 134 S HA -0.165 4.311 4.470 0.009 0.000 0.233 134 S C 1.717 176.268 174.600 -0.083 0.000 1.006 134 S CA 1.425 59.602 58.200 -0.038 0.000 0.957 134 S CB -0.756 62.425 63.200 -0.032 0.000 0.773 134 S HN 0.727 nan 8.310 nan 0.000 0.507 135 T N -3.620 110.838 114.554 -0.159 0.000 3.081 135 T HA 0.080 4.435 4.350 0.009 0.000 0.250 135 T C 0.483 174.863 174.700 -0.533 0.000 1.100 135 T CA -0.546 61.411 62.100 -0.238 0.000 1.038 135 T CB -0.574 68.163 68.868 -0.219 0.000 0.962 135 T HN 0.520 nan 8.240 nan 0.000 0.516 136 W N 3.378 124.246 121.300 -0.721 0.000 2.505 136 W HA 0.311 4.977 4.660 0.009 0.000 0.332 136 W C -0.132 175.970 176.519 -0.696 0.000 1.434 136 W CA 0.178 56.880 57.345 -1.073 0.000 1.320 136 W CB 0.002 29.204 29.460 -0.431 0.000 1.363 136 W HN 0.232 nan 8.180 nan 0.000 0.565 137 K N 5.247 125.162 120.400 -0.808 0.000 2.513 137 K HA 0.465 4.791 4.320 0.009 0.000 0.251 137 K C 0.497 176.954 176.600 -0.238 0.000 0.939 137 K CA 0.256 56.362 56.287 -0.301 0.000 0.793 137 K CB 1.125 33.484 32.500 -0.235 0.000 1.241 137 K HN 0.687 nan 8.250 nan 0.000 0.431 138 G N 3.569 112.318 108.800 -0.084 0.000 2.550 138 G HA2 -0.364 3.601 3.960 0.009 0.000 0.277 138 G HA3 -0.364 3.601 3.960 0.009 0.000 0.277 138 G C 0.477 175.361 174.900 -0.028 0.000 1.190 138 G CA 0.415 45.478 45.100 -0.061 0.000 0.971 138 G HN 0.702 nan 8.290 nan 0.000 0.559 139 K N -0.935 119.409 120.400 -0.095 0.000 2.155 139 K HA 0.158 4.484 4.320 0.009 0.000 0.203 139 K C 1.305 177.780 176.600 -0.209 0.000 1.052 139 K CA 0.935 57.151 56.287 -0.119 0.000 0.948 139 K CB -0.020 32.349 32.500 -0.218 0.000 0.728 139 K HN 0.618 nan 8.250 nan 0.000 0.448 140 Y N 0.350 120.294 120.300 -0.594 0.000 3.039 140 Y HA -0.400 4.156 4.550 0.009 0.000 0.427 140 Y C -0.138 175.350 175.900 -0.686 0.000 1.167 140 Y CA 0.643 58.184 58.100 -0.931 0.000 2.014 140 Y CB -0.502 36.964 38.460 -1.657 0.000 1.140 140 Y HN 0.277 nan 8.280 nan 0.000 0.608 141 N N -0.267 117.769 118.700 -1.107 0.000 2.504 141 N HA 0.224 4.970 4.740 0.009 0.000 0.268 141 N C -0.074 175.088 175.510 -0.579 0.000 1.184 141 N CA -0.147 52.500 53.050 -0.672 0.000 0.875 141 N CB 1.325 39.441 38.487 -0.618 0.000 1.630 141 N HN 0.512 nan 8.380 nan 0.000 0.486 142 L N 2.621 123.737 121.223 -0.178 0.000 2.042 142 L HA -0.138 4.207 4.340 0.009 0.000 0.210 142 L C 2.274 179.155 176.870 0.019 0.000 1.076 142 L CA 1.922 56.771 54.840 0.016 0.000 0.749 142 L CB -1.212 40.915 42.059 0.112 0.000 0.893 142 L HN 0.758 nan 8.230 nan 0.000 0.432 143 Y N -1.616 118.627 120.300 -0.095 0.000 2.352 143 Y HA 0.068 4.623 4.550 0.009 0.000 0.292 143 Y C 2.125 177.941 175.900 -0.139 0.000 1.136 143 Y CA 0.969 59.001 58.100 -0.113 0.000 1.227 143 Y CB -1.406 36.925 38.460 -0.215 0.000 0.991 143 Y HN 0.016 nan 8.280 nan 0.000 0.545 144 G N 0.713 109.056 108.800 -0.762 0.000 2.404 144 G HA2 -0.175 3.791 3.960 0.009 0.000 0.215 144 G HA3 -0.175 3.791 3.960 0.009 0.000 0.215 144 G C 1.861 176.595 174.900 -0.277 0.000 1.174 144 G CA 1.146 45.873 45.100 -0.622 0.000 0.780 144 G HN 0.655 nan 8.290 nan 0.000 0.537 145 A N 0.325 122.976 122.820 -0.283 0.000 1.902 145 A HA 0.089 4.415 4.320 0.009 0.000 0.217 145 A C 2.172 179.410 177.584 -0.576 0.000 1.181 145 A CA 1.339 53.028 52.037 -0.580 0.000 0.623 145 A CB -0.573 18.171 19.000 -0.427 0.000 0.818 145 A HN 0.282 nan 8.150 nan 0.000 0.443 146 F N -0.182 119.644 119.950 -0.207 0.000 2.171 146 F HA -0.110 4.422 4.527 0.009 0.000 0.300 146 F C 2.104 178.054 175.800 0.251 0.000 1.090 146 F CA 1.437 59.529 58.000 0.152 0.000 1.293 146 F CB -0.310 38.812 39.000 0.202 0.000 1.013 146 F HN 0.109 nan 8.300 nan 0.000 0.486 147 L N -0.485 120.894 121.223 0.259 0.000 2.056 147 L HA -0.207 4.138 4.340 0.009 0.000 0.207 147 L C 2.495 179.317 176.870 -0.081 0.000 1.078 147 L CA 1.615 56.494 54.840 0.066 0.000 0.749 147 L CB -0.583 41.439 42.059 -0.062 0.000 0.901 147 L HN 0.141 nan 8.230 nan 0.000 0.433 148 E N 0.249 120.339 120.200 -0.184 0.000 2.072 148 E HA -0.283 4.073 4.350 0.009 0.000 0.191 148 E C 2.141 178.688 176.600 -0.088 0.000 0.985 148 E CA 1.075 57.313 56.400 -0.271 0.000 0.801 148 E CB 0.172 29.580 29.700 -0.486 0.000 0.750 148 E HN 0.103 nan 8.360 nan 0.000 0.452 149 K N 1.013 121.347 120.400 -0.110 0.000 2.020 149 K HA -0.174 4.152 4.320 0.009 0.000 0.212 149 K C 1.816 178.434 176.600 0.030 0.000 1.050 149 K CA 1.912 58.185 56.287 -0.022 0.000 0.929 149 K CB -0.766 31.555 32.500 -0.299 0.000 0.714 149 K HN 0.189 nan 8.250 nan 0.000 0.443 150 A N -0.086 122.831 122.820 0.162 0.000 1.902 150 A HA -0.112 4.214 4.320 0.009 0.000 0.217 150 A C 2.390 180.001 177.584 0.045 0.000 1.181 150 A CA 1.930 54.073 52.037 0.176 0.000 0.623 150 A CB -0.833 18.159 19.000 -0.013 0.000 0.818 150 A HN 0.141 nan 8.150 nan 0.000 0.443 151 V N 0.043 119.940 119.914 -0.029 0.000 2.392 151 V HA -0.283 3.843 4.120 0.009 0.000 0.249 151 V C 2.579 178.735 176.094 0.104 0.000 1.059 151 V CA 2.298 64.573 62.300 -0.041 0.000 1.051 151 V CB -0.834 30.894 31.823 -0.159 0.000 0.658 151 V HN 0.531 nan 8.190 nan 0.000 0.455 152 R N -0.431 120.157 120.500 0.147 0.000 2.189 152 R HA 0.054 4.400 4.340 0.009 0.000 0.218 152 R C 1.761 178.115 176.300 0.090 0.000 1.074 152 R CA 0.853 57.034 56.100 0.135 0.000 0.991 152 R CB -0.157 30.218 30.300 0.126 0.000 0.883 152 R HN 0.450 nan 8.270 nan 0.000 0.457 153 L N 0.676 121.964 121.223 0.109 0.000 2.628 153 L HA 0.147 4.492 4.340 0.009 0.000 0.229 153 L C -0.154 176.845 176.870 0.215 0.000 1.137 153 L CA -0.391 54.542 54.840 0.155 0.000 0.909 153 L CB 0.086 42.278 42.059 0.223 0.000 1.137 153 L HN 0.016 nan 8.230 nan 0.000 0.470 154 L N 1.044 122.365 121.223 0.164 0.000 2.349 154 L HA 0.228 4.574 4.340 0.009 0.000 0.275 154 L C 0.499 177.437 176.870 0.113 0.000 1.115 154 L CA 0.036 54.972 54.840 0.160 0.000 0.820 154 L CB 0.851 43.014 42.059 0.172 0.000 1.135 154 L HN 0.040 nan 8.230 nan 0.000 0.445 155 K N 4.654 125.107 120.400 0.088 0.000 2.219 155 K HA 0.225 4.550 4.320 0.009 0.000 0.258 155 K C -2.161 174.469 176.600 0.049 0.000 1.008 155 K CA -1.401 54.914 56.287 0.046 0.000 0.928 155 K CB -0.018 32.496 32.500 0.023 0.000 0.983 155 K HN 0.413 nan 8.250 nan 0.000 0.484 156 P HA -0.084 nan 4.420 nan 0.000 0.266 156 P C 0.561 177.869 177.300 0.013 0.000 1.195 156 P CA 0.670 63.784 63.100 0.023 0.000 0.768 156 P CB 0.449 32.155 31.700 0.011 0.000 0.838 157 G N 1.436 110.235 108.800 -0.002 0.000 2.212 157 G HA2 -0.200 3.766 3.960 0.009 0.000 0.266 157 G HA3 -0.200 3.766 3.960 0.009 0.000 0.266 157 G C 0.625 175.520 174.900 -0.008 0.000 0.978 157 G CA 0.039 45.130 45.100 -0.016 0.000 0.632 157 G HN 0.912 nan 8.290 nan 0.000 0.537 158 G N -0.899 107.913 108.800 0.021 0.000 2.544 158 G HA2 0.549 4.515 3.960 0.009 0.000 0.242 158 G HA3 0.549 4.515 3.960 0.009 0.000 0.242 158 G C -0.086 174.833 174.900 0.031 0.000 1.247 158 G CA 0.443 45.568 45.100 0.042 0.000 0.840 158 G HN 1.009 nan 8.290 nan 0.000 0.578 159 V N 1.815 121.743 119.914 0.023 0.000 2.628 159 V HA 0.515 4.640 4.120 0.009 0.000 0.306 159 V C -0.459 175.642 176.094 0.012 0.000 1.045 159 V CA -0.791 61.515 62.300 0.010 0.000 0.905 159 V CB 1.657 33.466 31.823 -0.023 0.000 0.997 159 V HN 0.655 nan 8.190 nan 0.000 0.436 160 L N 5.575 126.820 121.223 0.037 0.000 2.362 160 L HA 0.784 5.130 4.340 0.009 0.000 0.275 160 L C -0.776 176.047 176.870 -0.079 0.000 0.998 160 L CA -0.214 54.574 54.840 -0.088 0.000 0.820 160 L CB 1.980 43.958 42.059 -0.136 0.000 1.270 160 L HN 0.426 nan 8.230 nan 0.000 0.415 161 V N 5.512 125.364 119.914 -0.103 0.000 2.398 161 V HA 0.503 4.628 4.120 0.009 0.000 0.282 161 V C -0.785 175.391 176.094 0.137 0.000 1.014 161 V CA -0.480 61.810 62.300 -0.016 0.000 0.838 161 V CB 0.885 32.676 31.823 -0.054 0.000 1.018 161 V HN 0.508 nan 8.190 nan 0.000 0.432 162 F N 2.716 122.602 119.950 -0.107 0.000 2.538 162 F HA 0.710 5.242 4.527 0.009 0.000 0.325 162 F C 0.028 175.791 175.800 -0.063 0.000 1.066 162 F CA -1.548 56.370 58.000 -0.138 0.000 0.946 162 F CB 2.248 41.187 39.000 -0.103 0.000 1.199 162 F HN 0.268 nan 8.300 nan 0.000 0.473 163 V N 5.228 125.177 119.914 0.057 0.000 2.398 163 V HA 0.835 4.961 4.120 0.009 0.000 0.286 163 V C -1.186 174.943 176.094 0.058 0.000 1.026 163 V CA -0.407 61.961 62.300 0.114 0.000 0.868 163 V CB 1.363 33.316 31.823 0.216 0.000 0.982 163 V HN 0.630 nan 8.190 nan 0.000 0.443 164 V N 4.317 124.191 119.914 -0.067 0.000 3.159 164 V HA 0.788 4.914 4.120 0.009 0.000 0.308 164 V C -2.912 172.806 176.094 -0.626 0.000 1.190 164 V CA -2.662 59.310 62.300 -0.547 0.000 1.037 164 V CB 1.858 33.307 31.823 -0.622 0.000 1.060 164 V HN 0.667 nan 8.190 nan 0.000 0.437 165 P HA 0.262 nan 4.420 nan 0.000 0.269 165 P C 0.447 177.514 177.300 -0.388 0.000 1.217 165 P CA 0.635 63.327 63.100 -0.681 0.000 0.783 165 P CB 0.680 31.911 31.700 -0.781 0.000 0.898 166 A N 1.068 123.748 122.820 -0.234 0.000 2.178 166 A HA -0.049 4.276 4.320 0.009 0.000 0.211 166 A C 1.886 179.214 177.584 -0.426 0.000 1.157 166 A CA 1.368 53.195 52.037 -0.350 0.000 0.780 166 A CB -1.621 17.237 19.000 -0.236 0.000 0.828 166 A HN 0.613 nan 8.150 nan 0.000 0.476 167 T N -1.745 112.709 114.554 -0.167 0.000 2.849 167 T HA -0.227 4.129 4.350 0.009 0.000 0.270 167 T C 1.756 176.385 174.700 -0.119 0.000 1.066 167 T CA 1.414 63.493 62.100 -0.035 0.000 1.130 167 T CB -0.792 68.151 68.868 0.126 0.000 0.864 167 T HN 0.847 nan 8.240 nan 0.000 0.481 168 W N 1.728 122.761 121.300 -0.445 0.000 2.611 168 W HA 0.112 4.777 4.660 0.008 0.000 0.251 168 W C 1.219 177.685 176.519 -0.088 0.000 1.265 168 W CA -0.131 56.928 57.345 -0.476 0.000 1.295 168 W CB -0.923 28.174 29.460 -0.606 0.000 1.129 168 W HN 0.264 nan 8.180 nan 0.000 0.630 169 L N 1.450 122.162 121.223 -0.852 0.000 2.141 169 L HA -0.167 4.179 4.340 0.009 0.000 0.209 169 L C 2.347 179.100 176.870 -0.195 0.000 1.094 169 L CA 1.785 56.155 54.840 -0.783 0.000 0.763 169 L CB -0.825 40.610 42.059 -1.040 0.000 0.908 169 L HN 0.032 nan 8.230 nan 0.000 0.437 170 V N -4.687 115.214 119.914 -0.021 0.000 3.371 170 V HA 0.212 4.338 4.120 0.009 0.000 0.246 170 V C 1.058 177.252 176.094 0.168 0.000 1.303 170 V CA -0.338 62.044 62.300 0.136 0.000 1.156 170 V CB 0.073 32.032 31.823 0.228 0.000 0.929 170 V HN 0.027 nan 8.190 nan 0.000 0.459 171 L N 1.440 122.807 121.223 0.240 0.000 2.397 171 L HA 0.364 4.710 4.340 0.009 0.000 0.271 171 L C 1.814 178.839 176.870 0.258 0.000 1.148 171 L CA -0.238 54.768 54.840 0.276 0.000 0.825 171 L CB 0.777 43.070 42.059 0.390 0.000 1.117 171 L HN 0.145 nan 8.230 nan 0.000 0.456 172 E N 1.198 121.478 120.200 0.133 0.000 2.085 172 E HA -0.217 4.138 4.350 0.009 0.000 0.194 172 E C 1.294 177.898 176.600 0.007 0.000 0.994 172 E CA 1.320 57.762 56.400 0.069 0.000 0.801 172 E CB 0.052 29.766 29.700 0.023 0.000 0.743 172 E HN 0.640 nan 8.360 nan 0.000 0.453 173 D N -0.424 119.910 120.400 -0.109 0.000 2.239 173 D HA -0.169 4.477 4.640 0.009 0.000 0.202 173 D C 0.832 176.884 176.300 -0.412 0.000 0.993 173 D CA 0.861 54.642 54.000 -0.365 0.000 0.874 173 D CB -0.195 40.192 40.800 -0.689 0.000 0.922 173 D HN 0.186 nan 8.370 nan 0.000 0.464 174 F N -0.923 119.103 119.950 0.125 0.000 2.647 174 F HA 0.433 4.966 4.527 0.010 0.000 0.300 174 F C 1.772 177.684 175.800 0.187 0.000 1.106 174 F CA -0.422 57.689 58.000 0.184 0.000 1.313 174 F CB -0.129 39.007 39.000 0.227 0.000 1.007 174 F HN -0.146 nan 8.300 nan 0.000 0.536 175 A N 0.463 123.416 122.820 0.222 0.000 1.898 175 A HA -0.094 4.231 4.320 0.009 0.000 0.216 175 A C 2.161 179.825 177.584 0.134 0.000 1.181 175 A CA 1.417 53.552 52.037 0.163 0.000 0.620 175 A CB -0.655 18.398 19.000 0.088 0.000 0.819 175 A HN 0.417 nan 8.150 nan 0.000 0.442 176 L N -1.061 120.221 121.223 0.099 0.000 2.093 176 L HA -0.122 4.224 4.340 0.009 0.000 0.208 176 L C 2.537 179.489 176.870 0.137 0.000 1.085 176 L CA 0.907 55.793 54.840 0.075 0.000 0.755 176 L CB -0.590 41.469 42.059 0.000 0.000 0.904 176 L HN 0.443 nan 8.230 nan 0.000 0.435 177 L N 0.185 121.523 121.223 0.190 0.000 2.046 177 L HA -0.192 4.154 4.340 0.009 0.000 0.208 177 L C 2.745 179.792 176.870 0.296 0.000 1.077 177 L CA 1.735 56.712 54.840 0.229 0.000 0.747 177 L CB -0.519 41.717 42.059 0.294 0.000 0.896 177 L HN 0.085 nan 8.230 nan 0.000 0.432 178 R N -0.500 120.203 120.500 0.339 0.000 2.081 178 R HA -0.158 4.188 4.340 0.009 0.000 0.235 178 R C 2.172 178.449 176.300 -0.038 0.000 1.131 178 R CA 1.764 58.064 56.100 0.333 0.000 0.960 178 R CB -0.326 30.208 30.300 0.389 0.000 0.856 178 R HN 0.528 nan 8.270 nan 0.000 0.436 179 E N -0.072 120.117 120.200 -0.018 0.000 2.077 179 E HA -0.202 4.154 4.350 0.009 0.000 0.193 179 E C 1.663 178.263 176.600 0.001 0.000 0.989 179 E CA 1.165 57.510 56.400 -0.091 0.000 0.800 179 E CB -0.188 29.499 29.700 -0.021 0.000 0.746 179 E HN 0.208 nan 8.360 nan 0.000 0.452 180 F N 1.382 121.311 119.950 -0.035 0.000 2.095 180 F HA -0.231 4.302 4.527 0.010 0.000 0.298 180 F C 1.842 177.654 175.800 0.020 0.000 1.104 180 F CA 1.459 59.454 58.000 -0.009 0.000 1.232 180 F CB -0.136 38.858 39.000 -0.010 0.000 0.987 180 F HN -0.072 nan 8.300 nan 0.000 0.475 181 L N -0.176 121.114 121.223 0.112 0.000 2.056 181 L HA -0.169 4.176 4.340 0.009 0.000 0.207 181 L C 2.808 179.853 176.870 0.291 0.000 1.078 181 L CA 1.143 56.078 54.840 0.159 0.000 0.749 181 L CB -1.199 41.089 42.059 0.383 0.000 0.901 181 L HN 0.248 nan 8.230 nan 0.000 0.433 182 A N -0.095 122.785 122.820 0.100 0.000 1.933 182 A HA -0.232 4.094 4.320 0.009 0.000 0.218 182 A C 2.454 180.057 177.584 0.032 0.000 1.175 182 A CA 1.699 53.759 52.037 0.037 0.000 0.628 182 A CB -0.529 18.192 19.000 -0.464 0.000 0.814 182 A HN 0.354 nan 8.150 nan 0.000 0.444 183 R N -0.773 119.698 120.500 -0.048 0.000 2.153 183 R HA -0.031 4.315 4.340 0.009 0.000 0.218 183 R C 1.182 177.439 176.300 -0.070 0.000 1.072 183 R CA 1.031 57.095 56.100 -0.059 0.000 0.990 183 R CB -0.001 30.251 30.300 -0.080 0.000 0.889 183 R HN 0.376 nan 8.270 nan 0.000 0.452 184 E N -0.376 119.758 120.200 -0.110 0.000 2.442 184 E HA 0.143 4.499 4.350 0.009 0.000 0.195 184 E C 0.599 177.308 176.600 0.182 0.000 1.030 184 E CA 0.733 57.092 56.400 -0.068 0.000 0.869 184 E CB 1.245 30.698 29.700 -0.411 0.000 0.857 184 E HN 0.527 nan 8.360 nan 0.000 0.505 185 G N 1.041 109.933 108.800 0.153 0.000 2.441 185 G HA2 0.052 4.018 3.960 0.009 0.000 0.222 185 G HA3 0.052 4.018 3.960 0.009 0.000 0.222 185 G C -1.406 173.446 174.900 -0.079 0.000 1.254 185 G CA -0.503 44.545 45.100 -0.086 0.000 0.959 185 G HN 0.063 nan 8.290 nan 0.000 0.474 186 K N -0.497 119.717 120.400 -0.311 0.000 2.203 186 K HA 0.796 5.122 4.320 0.009 0.000 0.251 186 K C -1.279 175.267 176.600 -0.090 0.000 0.944 186 K CA -0.604 55.621 56.287 -0.103 0.000 0.829 186 K CB 2.166 34.618 32.500 -0.080 0.000 1.125 186 K HN 0.417 nan 8.250 nan 0.000 0.430 187 T N 1.203 115.826 114.554 0.116 0.000 2.848 187 T HA 0.295 4.651 4.350 0.009 0.000 0.285 187 T C -0.962 173.807 174.700 0.114 0.000 0.995 187 T CA -0.774 61.439 62.100 0.188 0.000 0.970 187 T CB 1.579 70.626 68.868 0.299 0.000 0.976 187 T HN 0.540 nan 8.240 nan 0.000 0.441 188 S N 2.039 117.832 115.700 0.154 0.000 2.478 188 S HA 0.632 5.108 4.470 0.009 0.000 0.312 188 S C -0.399 174.248 174.600 0.078 0.000 1.094 188 S CA -0.655 57.621 58.200 0.127 0.000 1.081 188 S CB 1.111 64.397 63.200 0.144 0.000 1.007 188 S HN 0.517 nan 8.310 nan 0.000 0.475 189 V N 4.649 124.560 119.914 -0.005 0.000 2.409 189 V HA 0.447 4.573 4.120 0.009 0.000 0.291 189 V C -1.520 174.586 176.094 0.020 0.000 1.020 189 V CA -0.662 61.676 62.300 0.064 0.000 0.848 189 V CB 0.893 32.693 31.823 -0.038 0.000 0.990 189 V HN 0.824 nan 8.190 nan 0.000 0.430 190 Y N 3.905 124.371 120.300 0.276 0.000 2.328 190 Y HA 0.441 4.996 4.550 0.008 0.000 0.333 190 Y C -0.280 175.793 175.900 0.288 0.000 0.958 190 Y CA -1.049 57.258 58.100 0.345 0.000 1.167 190 Y CB 1.072 39.739 38.460 0.345 0.000 1.151 190 Y HN 0.681 nan 8.280 nan 0.000 0.470 191 Y N 4.118 124.625 120.300 0.345 0.000 2.436 191 Y HA 0.257 4.813 4.550 0.009 0.000 0.336 191 Y C 0.039 176.000 175.900 0.100 0.000 1.049 191 Y CA 0.065 58.305 58.100 0.233 0.000 1.294 191 Y CB 0.599 39.268 38.460 0.347 0.000 1.179 191 Y HN 0.760 nan 8.280 nan 0.000 0.520 192 L N 5.185 126.090 121.223 -0.530 0.000 2.362 192 L HA 0.339 4.684 4.340 0.009 0.000 0.204 192 L C 1.406 177.805 176.870 -0.786 0.000 1.060 192 L CA 0.588 55.080 54.840 -0.581 0.000 0.827 192 L CB -0.495 41.244 42.059 -0.532 0.000 1.027 192 L HN 1.029 nan 8.230 nan 0.000 0.474 193 G N 0.749 108.922 108.800 -1.046 0.000 2.527 193 G HA2 -0.246 3.720 3.960 0.009 0.000 0.227 193 G HA3 -0.246 3.720 3.960 0.009 0.000 0.227 193 G C -0.246 174.525 174.900 -0.215 0.000 1.291 193 G CA -0.441 44.280 45.100 -0.632 0.000 0.904 193 G HN 0.277 nan 8.290 nan 0.000 0.577 194 E N 1.256 121.412 120.200 -0.073 0.000 1.999 194 E HA 0.268 4.624 4.350 0.009 0.000 0.296 194 E C 1.555 178.142 176.600 -0.021 0.000 1.187 194 E CA 0.412 56.815 56.400 0.004 0.000 1.229 194 E CB 0.200 29.921 29.700 0.034 0.000 1.131 194 E HN 0.884 nan 8.360 nan 0.000 0.478 195 V N -1.536 118.317 119.914 -0.102 0.000 3.621 195 V HA 0.204 4.329 4.120 0.009 0.000 0.285 195 V C 0.233 176.128 176.094 -0.332 0.000 1.346 195 V CA -0.070 62.099 62.300 -0.219 0.000 1.104 195 V CB -0.583 31.026 31.823 -0.357 0.000 0.913 195 V HN 0.168 nan 8.190 nan 0.000 0.432 196 F N 2.517 122.466 119.950 -0.003 0.000 2.361 196 F HA 0.651 5.183 4.527 0.009 0.000 0.364 196 F C -2.221 173.578 175.800 -0.002 0.000 1.120 196 F CA -2.863 55.136 58.000 -0.002 0.000 1.102 196 F CB 0.791 39.788 39.000 -0.003 0.000 1.183 196 F HN -0.005 nan 8.300 nan 0.000 0.476 197 P HA -0.024 nan 4.420 nan 0.000 0.264 197 P C 0.017 177.368 177.300 0.086 0.000 1.193 197 P CA 0.315 63.464 63.100 0.081 0.000 0.763 197 P CB 0.463 32.194 31.700 0.051 0.000 0.810 198 Q N -0.367 119.468 119.800 0.058 0.000 2.406 198 Q HA -0.287 4.059 4.340 0.009 0.000 0.236 198 Q C -1.064 174.960 176.000 0.041 0.000 0.799 198 Q CA 1.490 57.317 55.803 0.040 0.000 1.286 198 Q CB -2.176 26.577 28.738 0.025 0.000 1.615 198 Q HN 0.427 nan 8.270 nan 0.000 0.621 199 K N 1.062 121.504 120.400 0.070 0.000 2.376 199 K HA 0.410 4.736 4.320 0.009 0.000 0.257 199 K C -0.706 175.938 176.600 0.073 0.000 0.939 199 K CA -0.573 55.745 56.287 0.052 0.000 0.809 199 K CB 1.506 34.014 32.500 0.014 0.000 1.121 199 K HN 0.064 nan 8.250 nan 0.000 0.425 200 K N 2.818 123.247 120.400 0.049 0.000 2.127 200 K HA 0.218 4.544 4.320 0.009 0.000 0.261 200 K C -1.122 175.513 176.600 0.058 0.000 1.129 200 K CA -0.159 56.157 56.287 0.048 0.000 0.993 200 K CB 0.494 33.011 32.500 0.029 0.000 1.410 200 K HN 0.256 nan 8.250 nan 0.000 0.380 201 V N 0.962 120.925 119.914 0.082 0.000 3.023 201 V HA 0.149 4.275 4.120 0.009 0.000 0.294 201 V C -1.322 174.830 176.094 0.096 0.000 1.324 201 V CA -0.659 61.691 62.300 0.082 0.000 0.979 201 V CB 2.407 34.279 31.823 0.083 0.000 1.093 201 V HN 0.542 nan 8.190 nan 0.000 0.434 202 S N 4.441 120.185 115.700 0.073 0.000 2.457 202 S HA 0.858 5.333 4.470 0.009 0.000 0.289 202 S C -0.074 174.526 174.600 -0.000 0.000 1.163 202 S CA 0.287 58.522 58.200 0.059 0.000 1.078 202 S CB 0.951 64.255 63.200 0.172 0.000 0.987 202 S HN 1.579 nan 8.310 nan 0.000 0.482 203 A N 3.790 126.569 122.820 -0.068 0.000 2.340 203 A HA 0.836 5.162 4.320 0.009 0.000 0.331 203 A C -0.259 177.239 177.584 -0.144 0.000 1.140 203 A CA -0.697 51.308 52.037 -0.053 0.000 0.801 203 A CB 1.201 20.282 19.000 0.134 0.000 1.234 203 A HN 1.327 nan 8.150 nan 0.000 0.469 204 V N -0.595 119.289 119.914 -0.051 0.000 3.001 204 V HA 0.838 4.963 4.120 0.009 0.000 0.314 204 V C -0.579 175.594 176.094 0.131 0.000 1.099 204 V CA -0.805 61.519 62.300 0.040 0.000 0.989 204 V CB 1.484 33.349 31.823 0.069 0.000 1.040 204 V HN 0.651 nan 8.190 nan 0.000 0.434 205 V N 4.260 124.309 119.914 0.225 0.000 2.394 205 V HA 0.464 4.590 4.120 0.009 0.000 0.282 205 V C 0.054 176.367 176.094 0.365 0.000 1.031 205 V CA -0.330 62.123 62.300 0.256 0.000 0.881 205 V CB 1.358 33.320 31.823 0.231 0.000 0.982 205 V HN 0.877 nan 8.190 nan 0.000 0.451 206 I N 6.004 126.751 120.570 0.294 0.000 2.359 206 I HA 0.527 4.703 4.170 0.009 0.000 0.294 206 I C 0.132 176.391 176.117 0.236 0.000 0.987 206 I CA -0.599 60.886 61.300 0.308 0.000 1.225 206 I CB 0.700 38.841 38.000 0.235 0.000 1.366 206 I HN 0.621 nan 8.210 nan 0.000 0.466 207 R N 7.790 128.461 120.500 0.286 0.000 2.275 207 R HA 0.309 4.655 4.340 0.009 0.000 0.326 207 R C -1.890 174.531 176.300 0.203 0.000 0.973 207 R CA -0.549 55.666 56.100 0.192 0.000 0.854 207 R CB 0.913 31.327 30.300 0.190 0.000 1.156 207 R HN 0.627 nan 8.270 nan 0.000 0.487 208 F N 3.201 123.161 119.950 0.017 0.000 2.436 208 F HA 0.323 4.857 4.527 0.012 0.000 0.340 208 F C -0.653 175.147 175.800 -0.001 0.000 1.113 208 F CA -0.478 57.532 58.000 0.017 0.000 1.022 208 F CB 1.690 40.681 39.000 -0.015 0.000 1.128 208 F HN 0.466 nan 8.300 nan 0.000 0.466 209 Q N 5.559 124.885 119.800 -0.791 0.000 2.330 209 Q HA 0.263 4.609 4.340 0.009 0.000 0.269 209 Q C -0.989 174.479 176.000 -0.888 0.000 1.022 209 Q CA -0.885 54.575 55.803 -0.572 0.000 0.796 209 Q CB 1.629 30.203 28.738 -0.273 0.000 1.271 209 Q HN 0.726 nan 8.270 nan 0.000 0.450 210 K N 2.780 122.951 120.400 -0.381 0.000 2.449 210 K HA 0.164 4.489 4.320 0.009 0.000 0.237 210 K C -1.390 175.143 176.600 -0.112 0.000 1.265 210 K CA 0.240 56.448 56.287 -0.133 0.000 1.193 210 K CB -0.318 32.273 32.500 0.151 0.000 1.515 210 K HN 0.715 nan 8.250 nan 0.000 0.259 211 S N -0.579 115.012 115.700 -0.182 0.000 2.688 211 S HA 0.545 5.020 4.470 0.009 0.000 0.266 211 S C 0.078 174.613 174.600 -0.108 0.000 1.061 211 S CA -0.773 57.369 58.200 -0.097 0.000 0.844 211 S CB 0.348 63.507 63.200 -0.068 0.000 1.103 211 S HN 0.615 nan 8.310 nan 0.000 0.471 212 G N 1.055 109.824 108.800 -0.051 0.000 2.633 212 G HA2 0.088 4.054 3.960 0.009 0.000 0.263 212 G HA3 0.088 4.054 3.960 0.009 0.000 0.263 212 G C -0.477 174.417 174.900 -0.010 0.000 1.310 212 G CA 0.919 46.003 45.100 -0.026 0.000 0.914 212 G HN 1.954 nan 8.290 nan 0.000 0.569 213 K N -1.796 118.618 120.400 0.023 0.000 2.556 213 K HA 0.756 5.081 4.320 0.009 0.000 0.289 213 K C 0.268 176.934 176.600 0.110 0.000 1.040 213 K CA 0.011 56.344 56.287 0.078 0.000 0.894 213 K CB 1.267 33.824 32.500 0.094 0.000 1.547 213 K HN 2.768 nan 8.250 nan 0.000 0.417 214 G N -0.355 108.568 108.800 0.204 0.000 2.655 214 G HA2 0.141 4.106 3.960 0.009 0.000 0.680 214 G HA3 0.141 4.106 3.960 0.009 0.000 0.680 214 G C -1.877 173.172 174.900 0.248 0.000 1.302 214 G CA -0.349 44.886 45.100 0.226 0.000 0.872 214 G HN 1.026 nan 8.290 nan 0.000 0.540 215 L N -0.448 120.857 121.223 0.135 0.000 2.431 215 L HA 0.865 5.211 4.340 0.009 0.000 0.266 215 L C -0.167 176.661 176.870 -0.070 0.000 0.978 215 L CA -0.280 54.507 54.840 -0.088 0.000 0.822 215 L CB 2.390 44.075 42.059 -0.623 0.000 1.310 215 L HN 1.034 nan 8.230 nan 0.000 0.409 216 S N 4.984 120.641 115.700 -0.073 0.000 2.502 216 S HA 0.738 5.213 4.470 0.009 0.000 0.304 216 S C -1.063 173.431 174.600 -0.176 0.000 1.097 216 S CA -0.471 57.642 58.200 -0.145 0.000 1.045 216 S CB 1.613 64.772 63.200 -0.068 0.000 1.019 216 S HN 0.652 nan 8.310 nan 0.000 0.481 217 L N 3.272 124.322 121.223 -0.288 0.000 2.317 217 L HA 0.781 5.126 4.340 0.009 0.000 0.281 217 L C -1.970 174.771 176.870 -0.214 0.000 1.024 217 L CA -0.208 54.502 54.840 -0.217 0.000 0.810 217 L CB 0.608 42.491 42.059 -0.293 0.000 1.240 217 L HN 0.736 nan 8.230 nan 0.000 0.427 218 W N 3.351 124.628 121.300 -0.038 0.000 2.819 218 W HA 0.477 5.140 4.660 0.006 0.000 0.337 218 W C -0.330 176.417 176.519 0.380 0.000 1.077 218 W CA -0.592 56.851 57.345 0.164 0.000 1.226 218 W CB 1.127 30.595 29.460 0.014 0.000 1.419 218 W HN 0.423 nan 8.180 nan 0.000 0.502 219 D N 0.548 121.344 120.400 0.659 0.000 2.388 219 D HA 0.560 5.206 4.640 0.009 0.000 0.254 219 D C -0.128 176.453 176.300 0.469 0.000 1.111 219 D CA 0.034 54.327 54.000 0.488 0.000 0.993 219 D CB 1.429 42.435 40.800 0.343 0.000 1.118 219 D HN 0.337 nan 8.370 nan 0.000 0.502 220 T N -1.618 113.143 114.554 0.345 0.000 2.930 220 T HA 0.559 4.915 4.350 0.009 0.000 0.290 220 T C -0.649 174.175 174.700 0.206 0.000 1.052 220 T CA -0.982 61.269 62.100 0.251 0.000 1.017 220 T CB 1.591 70.516 68.868 0.096 0.000 1.137 220 T HN 0.353 nan 8.240 nan 0.000 0.511 221 Q N 0.293 120.186 119.800 0.155 0.000 2.340 221 Q HA 0.433 4.778 4.340 0.009 0.000 0.268 221 Q C -1.082 174.893 176.000 -0.041 0.000 1.031 221 Q CA -0.590 55.257 55.803 0.072 0.000 0.804 221 Q CB 1.740 30.517 28.738 0.066 0.000 1.286 221 Q HN 0.811 nan 8.270 nan 0.000 0.448 222 E N 2.706 122.810 120.200 -0.159 0.000 2.113 222 E HA 0.412 4.768 4.350 0.009 0.000 0.273 222 E C -1.198 175.197 176.600 -0.341 0.000 0.924 222 E CA -0.253 55.843 56.400 -0.508 0.000 0.764 222 E CB 1.292 30.645 29.700 -0.578 0.000 1.104 222 E HN 0.717 nan 8.360 nan 0.000 0.406 223 S N 2.949 118.438 115.700 -0.351 0.000 2.806 223 S HA 0.126 4.602 4.470 0.009 0.000 0.315 223 S C 0.810 175.278 174.600 -0.220 0.000 1.127 223 S CA -0.802 57.270 58.200 -0.215 0.000 0.918 223 S CB 1.485 64.605 63.200 -0.134 0.000 1.240 223 S HN 0.730 nan 8.310 nan 0.000 0.552 224 E N 1.230 121.346 120.200 -0.141 0.000 2.051 224 E HA -0.148 4.208 4.350 0.009 0.000 0.192 224 E C 1.806 178.344 176.600 -0.105 0.000 0.991 224 E CA 1.523 57.854 56.400 -0.114 0.000 0.799 224 E CB -0.132 29.522 29.700 -0.077 0.000 0.748 224 E HN 0.623 nan 8.360 nan 0.000 0.449 225 S N -0.605 115.043 115.700 -0.087 0.000 2.537 225 S HA 0.101 4.576 4.470 0.009 0.000 0.240 225 S C 0.920 175.481 174.600 -0.065 0.000 0.981 225 S CA 0.547 58.711 58.200 -0.060 0.000 0.948 225 S CB -0.208 62.969 63.200 -0.038 0.000 0.759 225 S HN 0.554 nan 8.310 nan 0.000 0.531 226 G N 0.251 108.966 108.800 -0.141 0.000 2.447 226 G HA2 0.019 3.985 3.960 0.009 0.000 0.220 226 G HA3 0.019 3.985 3.960 0.009 0.000 0.220 226 G C -0.814 173.918 174.900 -0.280 0.000 1.261 226 G CA -0.718 44.278 45.100 -0.174 0.000 1.000 226 G HN 0.282 nan 8.290 nan 0.000 0.515 227 F N 1.319 121.195 119.950 -0.123 0.000 2.396 227 F HA 0.592 5.124 4.527 0.008 0.000 0.343 227 F C 1.108 176.803 175.800 -0.175 0.000 1.104 227 F CA 0.162 57.983 58.000 -0.298 0.000 1.161 227 F CB 2.041 40.567 39.000 -0.790 0.000 1.146 227 F HN 0.367 nan 8.300 nan 0.000 0.522 228 T N 5.256 119.844 114.554 0.056 0.000 2.792 228 T HA 0.336 4.692 4.350 0.009 0.000 0.280 228 T C -2.679 172.150 174.700 0.215 0.000 0.990 228 T CA -1.581 60.607 62.100 0.148 0.000 0.960 228 T CB 1.499 70.437 68.868 0.117 0.000 0.939 228 T HN 0.214 nan 8.240 nan 0.000 0.439 229 P HA 0.343 nan 4.420 nan 0.000 0.276 229 P C -0.922 176.711 177.300 0.555 0.000 1.230 229 P CA -0.479 62.929 63.100 0.513 0.000 0.776 229 P CB 0.706 32.692 31.700 0.476 0.000 0.888 230 I N 4.114 125.059 120.570 0.624 0.000 2.411 230 I HA 0.181 4.356 4.170 0.009 0.000 0.284 230 I C 0.381 176.801 176.117 0.506 0.000 1.012 230 I CA -1.209 60.383 61.300 0.487 0.000 1.119 230 I CB 1.325 39.542 38.000 0.363 0.000 1.261 230 I HN 0.252 nan 8.210 nan 0.000 0.448 231 L N 6.817 128.195 121.223 0.259 0.000 2.513 231 L HA 0.017 4.362 4.340 0.009 0.000 0.272 231 L C 0.525 177.341 176.870 -0.089 0.000 1.187 231 L CA 0.932 55.583 54.840 -0.316 0.000 0.895 231 L CB 0.299 41.987 42.059 -0.619 0.000 1.147 231 L HN 0.695 nan 8.230 nan 0.000 0.483 232 W N 5.821 126.967 121.300 -0.257 0.000 2.780 232 W HA 0.485 5.150 4.660 0.009 0.000 0.272 232 W C -0.194 176.214 176.519 -0.185 0.000 1.116 232 W CA 0.729 58.017 57.345 -0.094 0.000 1.600 232 W CB 0.462 29.990 29.460 0.112 0.000 1.086 232 W HN 0.669 nan 8.180 nan 0.000 0.584 233 A N 0.818 123.614 122.820 -0.040 0.000 2.605 233 A HA 0.515 4.840 4.320 0.009 0.000 0.294 233 A C -1.662 175.715 177.584 -0.346 0.000 1.062 233 A CA -0.588 51.331 52.037 -0.198 0.000 0.682 233 A CB 1.341 20.340 19.000 -0.003 0.000 1.278 233 A HN 0.130 nan 8.150 nan 0.000 0.410 234 E N 0.135 120.028 120.200 -0.511 0.000 2.234 234 E HA 0.499 4.855 4.350 0.009 0.000 0.266 234 E C -2.029 174.201 176.600 -0.618 0.000 0.877 234 E CA -0.314 55.828 56.400 -0.431 0.000 0.758 234 E CB 2.056 31.570 29.700 -0.310 0.000 1.170 234 E HN 0.529 nan 8.360 nan 0.000 0.415 235 Y N 2.686 122.913 120.300 -0.121 0.000 2.863 235 Y HA 0.209 4.765 4.550 0.010 0.000 0.348 235 Y C -1.661 174.217 175.900 -0.038 0.000 1.028 235 Y CA -2.041 56.030 58.100 -0.048 0.000 1.213 235 Y CB 0.881 39.343 38.460 0.003 0.000 1.120 235 Y HN 0.476 nan 8.280 nan 0.000 0.598 236 P HA -0.172 nan 4.420 nan 0.000 0.220 236 P C 0.378 177.545 177.300 -0.220 0.000 1.148 236 P CA 1.712 64.668 63.100 -0.240 0.000 0.803 236 P CB 0.435 31.849 31.700 -0.478 0.000 0.782 237 H N -3.036 116.149 119.070 0.191 0.000 2.469 237 H HA 0.119 4.680 4.556 0.010 0.000 0.286 237 H C 0.060 175.530 175.328 0.236 0.000 1.106 237 H CA -1.235 54.918 56.048 0.175 0.000 1.055 237 H CB -0.906 28.929 29.762 0.121 0.000 1.618 237 H HN 0.156 nan 8.280 nan 0.000 0.559 238 W N 2.691 124.089 121.300 0.164 0.000 2.343 238 W HA -0.012 4.654 4.660 0.009 0.000 0.337 238 W C 0.545 177.130 176.519 0.111 0.000 1.320 238 W CA 0.583 58.002 57.345 0.123 0.000 1.290 238 W CB 0.569 30.094 29.460 0.109 0.000 1.206 238 W HN 0.216 nan 8.180 nan 0.000 0.565 239 E N 2.825 122.791 120.200 -0.390 0.000 2.641 239 E HA 0.238 4.594 4.350 0.009 0.000 0.224 239 E C 1.161 177.357 176.600 -0.674 0.000 0.951 239 E CA 0.439 56.598 56.400 -0.401 0.000 1.102 239 E CB 0.849 30.456 29.700 -0.155 0.000 1.091 239 E HN 0.777 nan 8.360 nan 0.000 0.507 240 G N 1.660 109.676 108.800 -1.306 0.000 2.227 240 G HA2 -0.182 3.784 3.960 0.009 0.000 0.168 240 G HA3 -0.182 3.784 3.960 0.009 0.000 0.168 240 G C -0.129 174.593 174.900 -0.298 0.000 1.006 240 G CA -0.658 43.912 45.100 -0.883 0.000 0.684 240 G HN 0.118 nan 8.290 nan 0.000 0.489 241 E N 0.379 120.451 120.200 -0.212 0.000 2.467 241 E HA 0.346 4.702 4.350 0.009 0.000 0.264 241 E C 1.188 177.951 176.600 0.272 0.000 1.020 241 E CA 0.019 56.472 56.400 0.089 0.000 0.945 241 E CB 0.663 30.431 29.700 0.114 0.000 0.942 241 E HN 0.436 nan 8.360 nan 0.000 0.449 242 I N 2.473 123.142 120.570 0.165 0.000 2.948 242 I HA -0.170 4.005 4.170 0.009 0.000 0.303 242 I C 0.212 176.370 176.117 0.068 0.000 1.224 242 I CA 0.830 62.217 61.300 0.145 0.000 1.442 242 I CB 0.138 38.223 38.000 0.142 0.000 1.328 242 I HN 0.326 nan 8.210 nan 0.000 0.578 243 I N 7.528 128.077 120.570 -0.036 0.000 2.315 243 I HA 0.389 4.565 4.170 0.009 0.000 0.291 243 I C 0.099 176.115 176.117 -0.169 0.000 1.006 243 I CA -0.347 60.804 61.300 -0.248 0.000 1.265 243 I CB 0.618 38.334 38.000 -0.472 0.000 1.387 243 I HN 0.534 nan 8.210 nan 0.000 0.475 244 R N 4.832 125.189 120.500 -0.238 0.000 2.795 244 R HA 0.477 4.822 4.340 0.009 0.000 0.275 244 R C -1.359 174.761 176.300 -0.301 0.000 0.981 244 R CA -0.871 55.109 56.100 -0.199 0.000 0.917 244 R CB 2.005 32.170 30.300 -0.225 0.000 1.202 244 R HN 0.315 nan 8.270 nan 0.000 0.469 245 F N 2.035 121.830 119.950 -0.260 0.000 2.509 245 F HA 0.157 4.690 4.527 0.009 0.000 0.350 245 F C 0.611 176.414 175.800 0.006 0.000 1.220 245 F CA 0.084 57.879 58.000 -0.342 0.000 1.151 245 F CB 0.346 38.859 39.000 -0.812 0.000 1.379 245 F HN 0.211 nan 8.300 nan 0.000 0.610 246 E N 1.512 121.931 120.200 0.364 0.000 2.266 246 E HA 0.406 4.762 4.350 0.009 0.000 0.277 246 E C 0.190 177.011 176.600 0.367 0.000 1.018 246 E CA -0.451 56.120 56.400 0.285 0.000 0.840 246 E CB 1.427 31.260 29.700 0.221 0.000 1.082 246 E HN 0.509 nan 8.360 nan 0.000 0.395 247 T N -1.773 112.904 114.554 0.205 0.000 2.858 247 T HA 0.185 4.540 4.350 0.009 0.000 0.285 247 T C 0.961 175.697 174.700 0.059 0.000 1.052 247 T CA -0.855 61.305 62.100 0.101 0.000 1.009 247 T CB 1.563 70.496 68.868 0.107 0.000 1.241 247 T HN 0.570 nan 8.240 nan 0.000 0.542 248 E N 0.468 120.676 120.200 0.013 0.000 2.077 248 E HA -0.217 4.139 4.350 0.009 0.000 0.193 248 E C 1.659 178.290 176.600 0.051 0.000 0.989 248 E CA 1.786 58.197 56.400 0.018 0.000 0.800 248 E CB -0.147 29.547 29.700 -0.010 0.000 0.746 248 E HN 0.819 nan 8.360 nan 0.000 0.452 249 E N 0.180 120.416 120.200 0.061 0.000 2.077 249 E HA -0.202 4.154 4.350 0.009 0.000 0.193 249 E C 2.224 178.909 176.600 0.142 0.000 0.989 249 E CA 1.832 58.285 56.400 0.089 0.000 0.800 249 E CB -0.641 29.110 29.700 0.085 0.000 0.746 249 E HN 0.379 nan 8.360 nan 0.000 0.452 250 T N -0.612 114.039 114.554 0.162 0.000 2.777 250 T HA -0.052 4.303 4.350 0.009 0.000 0.266 250 T C 1.997 176.836 174.700 0.231 0.000 1.040 250 T CA 0.545 62.793 62.100 0.248 0.000 1.141 250 T CB -0.122 68.803 68.868 0.095 0.000 0.868 250 T HN -0.042 nan 8.240 nan 0.000 0.444 251 R N 1.402 121.989 120.500 0.145 0.000 2.080 251 R HA -0.007 4.339 4.340 0.009 0.000 0.236 251 R C 2.616 178.980 176.300 0.106 0.000 1.137 251 R CA 1.581 57.753 56.100 0.119 0.000 0.943 251 R CB -0.661 29.690 30.300 0.086 0.000 0.846 251 R HN 0.518 nan 8.270 nan 0.000 0.431 252 K N 0.636 121.090 120.400 0.090 0.000 2.034 252 K HA -0.196 4.130 4.320 0.009 0.000 0.214 252 K C 2.174 178.818 176.600 0.073 0.000 1.051 252 K CA 1.512 57.840 56.287 0.070 0.000 0.931 252 K CB -0.250 32.286 32.500 0.060 0.000 0.715 252 K HN -0.004 nan 8.250 nan 0.000 0.446 253 L N 1.647 122.925 121.223 0.093 0.000 2.093 253 L HA -0.137 4.209 4.340 0.009 0.000 0.208 253 L C 1.944 178.848 176.870 0.056 0.000 1.085 253 L CA 1.682 56.558 54.840 0.059 0.000 0.755 253 L CB -0.191 41.869 42.059 0.002 0.000 0.904 253 L HN 0.231 nan 8.230 nan 0.000 0.435 254 E N -0.337 119.930 120.200 0.111 0.000 2.106 254 E HA -0.206 4.149 4.350 0.009 0.000 0.192 254 E C 2.103 178.756 176.600 0.087 0.000 0.984 254 E CA 1.679 58.154 56.400 0.125 0.000 0.806 254 E CB -0.260 29.547 29.700 0.180 0.000 0.750 254 E HN 0.741 nan 8.360 nan 0.000 0.458 255 I N -0.717 119.896 120.570 0.071 0.000 3.111 255 I HA -0.073 4.103 4.170 0.009 0.000 0.272 255 I C 2.206 178.341 176.117 0.031 0.000 1.268 255 I CA 0.834 62.163 61.300 0.049 0.000 1.467 255 I CB -0.172 37.854 38.000 0.042 0.000 1.087 255 I HN -0.096 nan 8.210 nan 0.000 0.467 256 S N 0.307 116.024 115.700 0.027 0.000 2.561 256 S HA 0.364 4.839 4.470 0.009 0.000 0.225 256 S C 0.881 175.474 174.600 -0.011 0.000 0.977 256 S CA 0.164 58.365 58.200 0.001 0.000 0.926 256 S CB -0.533 62.661 63.200 -0.010 0.000 0.769 256 S HN 0.661 nan 8.310 nan 0.000 0.533 257 G N -0.166 108.641 108.800 0.011 0.000 2.600 257 G HA2 0.515 4.480 3.960 0.009 0.000 0.293 257 G HA3 0.515 4.480 3.960 0.009 0.000 0.293 257 G C -1.208 173.712 174.900 0.033 0.000 1.408 257 G CA -1.032 44.076 45.100 0.013 0.000 0.782 257 G HN 0.215 nan 8.290 nan 0.000 0.482 258 M N 1.308 120.928 119.600 0.034 0.000 2.228 258 M HA 0.220 4.705 4.480 0.009 0.000 0.351 258 M C -2.125 174.225 176.300 0.084 0.000 1.233 258 M CA -1.179 54.145 55.300 0.040 0.000 1.129 258 M CB 1.228 33.843 32.600 0.025 0.000 1.604 258 M HN 0.108 nan 8.290 nan 0.000 0.457 259 P HA -0.064 nan 4.420 nan 0.000 0.264 259 P C 0.414 177.785 177.300 0.118 0.000 1.193 259 P CA -0.092 63.066 63.100 0.097 0.000 0.763 259 P CB 0.366 32.110 31.700 0.073 0.000 0.810 260 L N 4.689 125.996 121.223 0.140 0.000 2.129 260 L HA -0.125 4.220 4.340 0.009 0.000 0.212 260 L C 2.095 179.083 176.870 0.195 0.000 1.087 260 L CA 2.396 57.347 54.840 0.185 0.000 0.757 260 L CB -1.426 40.702 42.059 0.116 0.000 0.896 260 L HN 0.520 nan 8.230 nan 0.000 0.434 261 G N -1.760 107.103 108.800 0.105 0.000 2.484 261 G HA2 -0.200 3.766 3.960 0.009 0.000 0.218 261 G HA3 -0.200 3.766 3.960 0.009 0.000 0.218 261 G C 1.165 176.097 174.900 0.053 0.000 1.130 261 G CA 0.639 45.782 45.100 0.072 0.000 0.784 261 G HN 0.403 nan 8.290 nan 0.000 0.543 262 D N 0.135 120.572 120.400 0.061 0.000 2.317 262 D HA 0.046 4.692 4.640 0.009 0.000 0.211 262 D C 2.408 178.743 176.300 0.059 0.000 0.966 262 D CA 0.281 54.308 54.000 0.044 0.000 0.876 262 D CB 0.237 41.061 40.800 0.040 0.000 0.927 262 D HN 0.327 nan 8.370 nan 0.000 0.519 263 L N -1.366 119.882 121.223 0.042 0.000 2.298 263 L HA 0.147 4.493 4.340 0.009 0.000 0.209 263 L C 0.166 176.761 176.870 -0.458 0.000 1.084 263 L CA 0.395 55.124 54.840 -0.185 0.000 0.816 263 L CB 0.220 42.211 42.059 -0.112 0.000 0.967 263 L HN -0.152 nan 8.230 nan 0.000 0.460 264 F N -1.744 118.160 119.950 -0.077 0.000 2.563 264 F HA 0.399 4.932 4.527 0.009 0.000 0.316 264 F C 0.280 175.992 175.800 -0.147 0.000 1.076 264 F CA -0.979 56.972 58.000 -0.080 0.000 0.921 264 F CB 1.126 40.115 39.000 -0.018 0.000 1.209 264 F HN -0.141 nan 8.300 nan 0.000 0.462 265 H N 3.842 122.998 119.070 0.143 0.000 2.767 265 H HA 0.359 4.921 4.556 0.009 0.000 0.316 265 H C -0.305 175.044 175.328 0.033 0.000 1.059 265 H CA 0.233 56.317 56.048 0.061 0.000 1.461 265 H CB 1.008 30.777 29.762 0.013 0.000 1.475 265 H HN 0.403 nan 8.280 nan 0.000 0.531 266 I N 5.045 125.683 120.570 0.113 0.000 2.321 266 I HA 0.239 4.415 4.170 0.009 0.000 0.291 266 I C 0.324 176.476 176.117 0.058 0.000 0.998 266 I CA -0.546 60.779 61.300 0.041 0.000 1.227 266 I CB 0.645 38.638 38.000 -0.012 0.000 1.368 266 I HN 0.267 nan 8.210 nan 0.000 0.466 267 R N 5.041 125.533 120.500 -0.014 0.000 2.803 267 R HA 0.543 4.889 4.340 0.009 0.000 0.276 267 R C -1.120 175.271 176.300 0.150 0.000 0.978 267 R CA -0.964 55.134 56.100 -0.005 0.000 0.939 267 R CB 2.325 32.432 30.300 -0.322 0.000 1.179 267 R HN 0.384 nan 8.270 nan 0.000 0.472 268 F N 0.320 120.326 119.950 0.093 0.000 2.408 268 F HA 0.547 5.080 4.527 0.009 0.000 0.325 268 F C 0.544 176.502 175.800 0.263 0.000 1.082 268 F CA -0.423 57.652 58.000 0.124 0.000 1.032 268 F CB 1.395 40.399 39.000 0.006 0.000 1.259 268 F HN 0.644 nan 8.300 nan 0.000 0.503 269 A N 2.372 125.150 122.820 -0.070 0.000 2.466 269 A HA 0.489 4.814 4.320 0.009 0.000 0.238 269 A C -0.200 177.616 177.584 0.386 0.000 1.074 269 A CA -0.081 52.099 52.037 0.239 0.000 0.774 269 A CB -0.478 18.658 19.000 0.226 0.000 1.015 269 A HN 1.073 nan 8.150 nan 0.000 0.498 270 A N 2.148 125.215 122.820 0.411 0.000 2.531 270 A HA 0.433 4.758 4.320 0.009 0.000 0.236 270 A C 0.661 178.490 177.584 0.409 0.000 1.062 270 A CA -0.240 51.968 52.037 0.283 0.000 0.760 270 A CB -0.024 18.981 19.000 0.009 0.000 0.995 270 A HN 0.776 nan 8.150 nan 0.000 0.501 271 R N 1.817 122.488 120.500 0.285 0.000 2.637 271 R HA 0.190 4.536 4.340 0.009 0.000 0.269 271 R C 1.834 178.344 176.300 0.350 0.000 1.089 271 R CA 0.113 56.393 56.100 0.299 0.000 1.177 271 R CB -0.285 30.135 30.300 0.201 0.000 1.091 271 R HN 0.984 nan 8.270 nan 0.000 0.540 272 S N 1.094 116.969 115.700 0.292 0.000 2.368 272 S HA -0.146 4.330 4.470 0.009 0.000 0.226 272 S C -0.988 173.755 174.600 0.238 0.000 1.044 272 S CA 1.326 59.682 58.200 0.260 0.000 1.062 272 S CB -1.164 62.126 63.200 0.149 0.000 0.931 272 S HN 0.451 nan 8.310 nan 0.000 0.440 273 P HA -0.008 nan 4.420 nan 0.000 0.220 273 P C 1.295 178.664 177.300 0.115 0.000 1.148 273 P CA 1.244 64.420 63.100 0.126 0.000 0.803 273 P CB -0.177 31.580 31.700 0.095 0.000 0.782 274 E N -1.188 119.069 120.200 0.094 0.000 2.085 274 E HA -0.189 4.167 4.350 0.009 0.000 0.194 274 E C 1.742 178.325 176.600 -0.027 0.000 0.994 274 E CA 1.174 57.569 56.400 -0.008 0.000 0.801 274 E CB -0.632 28.999 29.700 -0.114 0.000 0.743 274 E HN 0.276 nan 8.360 nan 0.000 0.453 275 F N 1.497 121.488 119.950 0.070 0.000 2.098 275 F HA -0.093 4.440 4.527 0.009 0.000 0.294 275 F C 2.334 178.178 175.800 0.074 0.000 1.107 275 F CA 1.045 59.075 58.000 0.049 0.000 1.234 275 F CB -0.265 38.735 39.000 0.001 0.000 1.002 275 F HN -0.177 nan 8.300 nan 0.000 0.472 276 K N 0.558 121.114 120.400 0.260 0.000 2.127 276 K HA -0.275 4.051 4.320 0.009 0.000 0.212 276 K C 1.774 178.454 176.600 0.133 0.000 1.050 276 K CA 2.248 58.633 56.287 0.163 0.000 0.929 276 K CB -0.429 32.145 32.500 0.124 0.000 0.715 276 K HN 0.408 nan 8.250 nan 0.000 0.457 277 K N 0.006 120.479 120.400 0.121 0.000 2.367 277 K HA 0.009 4.334 4.320 0.009 0.000 0.194 277 K C 0.234 176.878 176.600 0.073 0.000 1.027 277 K CA -0.011 56.323 56.287 0.079 0.000 1.075 277 K CB -0.012 32.517 32.500 0.049 0.000 0.845 277 K HN 0.081 nan 8.250 nan 0.000 0.529 278 H N 3.162 122.250 119.070 0.030 0.000 2.848 278 H HA 0.070 4.631 4.556 0.009 0.000 0.317 278 H C -1.514 173.832 175.328 0.030 0.000 1.046 278 H CA -1.258 54.797 56.048 0.012 0.000 1.470 278 H CB 1.287 31.044 29.762 -0.009 0.000 1.483 278 H HN -0.041 nan 8.280 nan 0.000 0.548 279 P HA -0.175 nan 4.420 nan 0.000 0.221 279 P C 0.761 178.120 177.300 0.098 0.000 1.145 279 P CA 1.466 64.544 63.100 -0.036 0.000 0.795 279 P CB 0.148 31.776 31.700 -0.119 0.000 0.775 280 A N -0.299 122.697 122.820 0.292 0.000 2.119 280 A HA 0.083 4.409 4.320 0.009 0.000 0.216 280 A C 1.210 178.904 177.584 0.183 0.000 1.152 280 A CA 0.428 52.613 52.037 0.247 0.000 0.708 280 A CB -0.691 18.482 19.000 0.289 0.000 0.805 280 A HN 0.080 nan 8.150 nan 0.000 0.460 281 V N 2.377 122.422 119.914 0.217 0.000 2.498 281 V HA 0.316 4.442 4.120 0.009 0.000 0.279 281 V C 0.148 176.334 176.094 0.154 0.000 1.048 281 V CA -0.504 61.904 62.300 0.180 0.000 0.967 281 V CB 0.798 32.754 31.823 0.223 0.000 0.988 281 V HN 0.415 nan 8.190 nan 0.000 0.473 282 R N 3.596 124.197 120.500 0.168 0.000 2.873 282 R HA 0.533 4.878 4.340 0.009 0.000 0.264 282 R C 0.228 176.676 176.300 0.246 0.000 1.026 282 R CA -0.898 55.295 56.100 0.156 0.000 1.002 282 R CB 1.281 31.641 30.300 0.100 0.000 1.174 282 R HN 0.428 nan 8.270 nan 0.000 0.488 283 K N 0.721 121.235 120.400 0.189 0.000 2.358 283 K HA 0.172 4.498 4.320 0.009 0.000 0.197 283 K C -0.305 176.427 176.600 0.220 0.000 1.025 283 K CA 0.232 56.669 56.287 0.249 0.000 1.104 283 K CB 0.577 33.159 32.500 0.136 0.000 0.855 283 K HN 0.441 nan 8.250 nan 0.000 0.531 284 E N 0.353 120.518 120.200 -0.058 0.000 2.367 284 E HA 0.301 4.657 4.350 0.009 0.000 0.273 284 E C -2.755 173.186 176.600 -1.098 0.000 0.903 284 E CA -2.424 53.603 56.400 -0.621 0.000 0.764 284 E CB 2.428 31.922 29.700 -0.344 0.000 1.252 284 E HN -0.208 nan 8.360 nan 0.000 0.446 285 P HA 0.419 nan 4.420 nan 0.000 0.272 285 P C -0.422 176.534 177.300 -0.574 0.000 1.240 285 P CA -0.159 62.088 63.100 -1.422 0.000 0.791 285 P CB 0.941 32.008 31.700 -1.055 0.000 0.978 286 G N -0.182 108.420 108.800 -0.331 0.000 2.356 286 G HA2 0.390 4.356 3.960 0.009 0.000 0.294 286 G HA3 0.390 4.356 3.960 0.009 0.000 0.294 286 G C -3.340 171.504 174.900 -0.093 0.000 1.423 286 G CA -0.939 44.055 45.100 -0.177 0.000 0.806 286 G HN 0.217 nan 8.290 nan 0.000 0.527 287 P HA 0.261 nan 4.420 nan 0.000 0.258 287 P C 1.114 178.400 177.300 -0.024 0.000 1.172 287 P CA 2.014 65.093 63.100 -0.036 0.000 0.762 287 P CB 0.604 32.285 31.700 -0.032 0.000 0.764 288 G N 2.401 111.193 108.800 -0.014 0.000 2.196 288 G HA2 -0.266 3.699 3.960 0.009 0.000 0.268 288 G HA3 -0.266 3.699 3.960 0.009 0.000 0.268 288 G C 0.002 174.894 174.900 -0.013 0.000 0.975 288 G CA -0.193 44.899 45.100 -0.013 0.000 0.648 288 G HN 0.473 nan 8.290 nan 0.000 0.538 289 L N -0.005 121.221 121.223 0.005 0.000 2.334 289 L HA 0.740 5.086 4.340 0.009 0.000 0.277 289 L C 0.257 177.198 176.870 0.118 0.000 1.075 289 L CA -0.905 53.967 54.840 0.052 0.000 0.804 289 L CB 1.770 43.867 42.059 0.063 0.000 1.174 289 L HN -0.022 nan 8.230 nan 0.000 0.438 290 V N 4.078 124.036 119.914 0.074 0.000 2.735 290 V HA 0.447 4.573 4.120 0.009 0.000 0.310 290 V C -2.261 173.777 176.094 -0.093 0.000 1.061 290 V CA -2.029 60.261 62.300 -0.017 0.000 0.913 290 V CB 3.072 34.654 31.823 -0.402 0.000 1.005 290 V HN 0.555 nan 8.190 nan 0.000 0.428 291 P HA 0.094 nan 4.420 nan 0.000 0.268 291 P C -0.723 176.301 177.300 -0.459 0.000 1.204 291 P CA 0.075 62.836 63.100 -0.565 0.000 0.768 291 P CB 0.365 31.800 31.700 -0.443 0.000 0.842 292 V N 5.254 124.818 119.914 -0.582 0.000 2.446 292 V HA 0.010 4.135 4.120 0.009 0.000 0.276 292 V C 0.769 176.524 176.094 -0.565 0.000 1.030 292 V CA 0.155 62.081 62.300 -0.624 0.000 1.033 292 V CB -0.674 30.674 31.823 -0.792 0.000 0.993 292 V HN 0.348 nan 8.190 nan 0.000 0.477 293 L N 5.512 126.372 121.223 -0.606 0.000 2.418 293 L HA 0.615 4.961 4.340 0.009 0.000 0.265 293 L C 0.766 177.442 176.870 -0.323 0.000 1.143 293 L CA 0.023 54.479 54.840 -0.640 0.000 0.809 293 L CB 1.191 42.412 42.059 -1.397 0.000 1.124 293 L HN 0.834 nan 8.230 nan 0.000 0.456 294 T N -2.582 111.876 114.554 -0.160 0.000 2.831 294 T HA 0.374 4.730 4.350 0.009 0.000 0.287 294 T C 1.002 175.768 174.700 0.110 0.000 1.070 294 T CA -0.170 61.951 62.100 0.036 0.000 1.010 294 T CB 1.268 70.120 68.868 -0.028 0.000 1.264 294 T HN 0.606 nan 8.240 nan 0.000 0.532 295 G N -0.100 108.746 108.800 0.077 0.000 2.499 295 G HA2 -0.178 3.787 3.960 0.009 0.000 0.221 295 G HA3 -0.178 3.787 3.960 0.009 0.000 0.221 295 G C 1.406 176.250 174.900 -0.095 0.000 1.109 295 G CA 0.347 45.458 45.100 0.019 0.000 0.749 295 G HN 0.769 nan 8.290 nan 0.000 0.568 296 R N -0.258 120.120 120.500 -0.204 0.000 2.280 296 R HA 0.028 4.373 4.340 0.009 0.000 0.207 296 R C 1.781 177.857 176.300 -0.372 0.000 1.043 296 R CA 0.971 56.817 56.100 -0.423 0.000 1.006 296 R CB -0.129 29.641 30.300 -0.884 0.000 0.885 296 R HN 0.383 nan 8.270 nan 0.000 0.467 297 N N -0.001 118.568 118.700 -0.219 0.000 2.405 297 N HA -0.015 4.731 4.740 0.009 0.000 0.175 297 N C -0.169 175.169 175.510 -0.288 0.000 1.051 297 N CA 0.019 52.923 53.050 -0.242 0.000 0.899 297 N CB 0.311 38.599 38.487 -0.332 0.000 1.000 297 N HN -0.019 nan 8.380 nan 0.000 0.451 298 L N 1.560 122.711 121.223 -0.120 0.000 2.319 298 L HA 0.288 4.634 4.340 0.009 0.000 0.280 298 L C -0.580 176.086 176.870 -0.341 0.000 1.099 298 L CA 0.083 54.839 54.840 -0.141 0.000 0.828 298 L CB 0.352 42.392 42.059 -0.032 0.000 1.150 298 L HN -0.110 nan 8.230 nan 0.000 0.442 299 K N 4.864 124.949 120.400 -0.525 0.000 2.400 299 K HA 0.563 4.889 4.320 0.009 0.000 0.246 299 K C -2.644 173.769 176.600 -0.311 0.000 0.995 299 K CA -2.249 53.709 56.287 -0.549 0.000 0.840 299 K CB 1.051 32.870 32.500 -1.134 0.000 1.293 299 K HN 0.258 nan 8.250 nan 0.000 0.445 300 P HA 0.060 nan 4.420 nan 0.000 0.263 300 P C 0.524 177.877 177.300 0.087 0.000 1.247 300 P CA 0.852 63.935 63.100 -0.028 0.000 0.876 300 P CB -0.129 31.576 31.700 0.008 0.000 0.928 301 G N 1.940 110.786 108.800 0.077 0.000 2.176 301 G HA2 -0.160 3.806 3.960 0.009 0.000 0.253 301 G HA3 -0.160 3.806 3.960 0.009 0.000 0.253 301 G C -0.357 174.729 174.900 0.309 0.000 0.979 301 G CA -0.064 45.143 45.100 0.178 0.000 0.641 301 G HN 0.597 nan 8.290 nan 0.000 0.530 302 W N -1.014 120.294 121.300 0.013 0.000 3.146 302 W HA 0.693 5.359 4.660 0.009 0.000 0.319 302 W C -1.393 175.089 176.519 -0.063 0.000 1.258 302 W CA -1.247 56.098 57.345 0.000 0.000 1.189 302 W CB 0.859 30.322 29.460 0.005 0.000 1.412 302 W HN 0.426 nan 8.180 nan 0.000 0.567 303 V N 2.449 122.323 119.914 -0.066 0.000 2.448 303 V HA 0.127 4.252 4.120 0.009 0.000 0.295 303 V C -0.429 175.367 176.094 -0.497 0.000 1.025 303 V CA -0.257 61.753 62.300 -0.482 0.000 0.859 303 V CB 1.433 32.835 31.823 -0.701 0.000 0.988 303 V HN 0.489 nan 8.190 nan 0.000 0.431 304 D N 3.332 123.419 120.400 -0.523 0.000 2.374 304 D HA 0.163 4.808 4.640 0.009 0.000 0.240 304 D C 0.323 176.447 176.300 -0.294 0.000 1.229 304 D CA 0.036 53.935 54.000 -0.168 0.000 0.895 304 D CB 0.660 41.396 40.800 -0.107 0.000 1.046 304 D HN 0.503 nan 8.370 nan 0.000 0.498 305 Y N 1.659 121.904 120.300 -0.092 0.000 2.516 305 Y HA 0.008 4.563 4.550 0.009 0.000 0.291 305 Y C 2.083 177.959 175.900 -0.039 0.000 1.131 305 Y CA 0.293 58.251 58.100 -0.237 0.000 1.281 305 Y CB 0.323 38.533 38.460 -0.416 0.000 1.013 305 Y HN 0.378 nan 8.280 nan 0.000 0.554 306 E N 0.647 120.930 120.200 0.139 0.000 2.060 306 E HA -0.027 4.329 4.350 0.009 0.000 0.189 306 E C 0.505 177.140 176.600 0.058 0.000 0.974 306 E CA 0.472 56.948 56.400 0.126 0.000 0.808 306 E CB -0.093 29.682 29.700 0.125 0.000 0.768 306 E HN 0.285 nan 8.360 nan 0.000 0.453 307 K N 1.852 122.253 120.400 0.001 0.000 2.326 307 K HA 0.066 4.391 4.320 0.009 0.000 0.275 307 K C 0.297 176.737 176.600 -0.267 0.000 1.018 307 K CA -0.095 56.116 56.287 -0.126 0.000 0.962 307 K CB 0.486 32.918 32.500 -0.112 0.000 0.953 307 K HN -0.085 nan 8.250 nan 0.000 0.475 308 N N 1.946 120.413 118.700 -0.388 0.000 2.400 308 N HA 0.130 4.875 4.740 0.009 0.000 0.288 308 N C -0.457 174.677 175.510 -0.626 0.000 1.024 308 N CA -0.226 52.521 53.050 -0.505 0.000 0.894 308 N CB 0.777 38.902 38.487 -0.603 0.000 1.173 308 N HN 0.634 nan 8.380 nan 0.000 0.487 309 H N 0.662 119.581 119.070 -0.253 0.000 3.241 309 H HA 0.080 4.642 4.556 0.009 0.000 0.260 309 H C 1.276 176.496 175.328 -0.180 0.000 1.084 309 H CA 0.331 56.276 56.048 -0.170 0.000 1.203 309 H CB 0.696 30.376 29.762 -0.137 0.000 1.524 309 H HN 0.636 nan 8.280 nan 0.000 0.521 310 S N -0.326 115.261 115.700 -0.187 0.000 2.470 310 S HA 0.152 4.627 4.470 0.009 0.000 0.222 310 S C 1.793 176.281 174.600 -0.187 0.000 1.024 310 S CA 0.715 58.799 58.200 -0.192 0.000 0.931 310 S CB 0.329 63.359 63.200 -0.284 0.000 0.791 310 S HN 0.470 nan 8.310 nan 0.000 0.513 311 G N 0.912 109.539 108.800 -0.289 0.000 2.136 311 G HA2 -0.180 3.786 3.960 0.009 0.000 0.242 311 G HA3 -0.180 3.786 3.960 0.009 0.000 0.242 311 G C -0.253 174.577 174.900 -0.117 0.000 0.989 311 G CA 0.341 45.358 45.100 -0.139 0.000 0.682 311 G HN 0.562 nan 8.290 nan 0.000 0.522 312 L N -0.553 120.412 121.223 -0.431 0.000 2.410 312 L HA 0.689 5.034 4.340 0.009 0.000 0.270 312 L C -0.209 176.402 176.870 -0.432 0.000 0.983 312 L CA -1.116 53.589 54.840 -0.224 0.000 0.822 312 L CB 1.596 43.532 42.059 -0.205 0.000 1.285 312 L HN 0.122 nan 8.230 nan 0.000 0.409 313 W N 5.145 126.396 121.300 -0.083 0.000 2.819 313 W HA 0.728 5.394 4.660 0.010 0.000 0.337 313 W C -0.302 176.173 176.519 -0.073 0.000 1.077 313 W CA -0.673 56.616 57.345 -0.093 0.000 1.226 313 W CB 2.382 31.800 29.460 -0.070 0.000 1.419 313 W HN 0.452 nan 8.180 nan 0.000 0.502 314 M N 1.610 121.267 119.600 0.095 0.000 2.644 314 M HA 0.526 5.011 4.480 0.009 0.000 0.273 314 M C -3.052 173.236 176.300 -0.020 0.000 1.253 314 M CA -2.148 53.178 55.300 0.043 0.000 0.852 314 M CB 2.413 35.023 32.600 0.016 0.000 1.708 314 M HN -0.132 nan 8.290 nan 0.000 0.471 315 P HA 0.128 nan 4.420 nan 0.000 0.271 315 P C -0.201 177.035 177.300 -0.106 0.000 1.226 315 P CA -0.053 63.016 63.100 -0.051 0.000 0.765 315 P CB 0.834 32.523 31.700 -0.017 0.000 0.835 316 K N 4.750 125.044 120.400 -0.177 0.000 2.074 316 K HA -0.246 4.080 4.320 0.009 0.000 0.209 316 K C 1.518 178.049 176.600 -0.116 0.000 1.048 316 K CA 2.024 58.167 56.287 -0.240 0.000 0.926 316 K CB -0.020 32.277 32.500 -0.337 0.000 0.713 316 K HN 0.551 nan 8.250 nan 0.000 0.444 317 E N -0.126 120.035 120.200 -0.066 0.000 2.265 317 E HA -0.195 4.160 4.350 0.009 0.000 0.196 317 E C 1.595 178.186 176.600 -0.015 0.000 0.996 317 E CA 0.715 57.102 56.400 -0.021 0.000 0.832 317 E CB -0.062 29.633 29.700 -0.008 0.000 0.756 317 E HN 0.222 nan 8.360 nan 0.000 0.491 318 R N 0.122 120.602 120.500 -0.032 0.000 2.297 318 R HA 0.211 4.557 4.340 0.009 0.000 0.197 318 R C 2.021 178.271 176.300 -0.082 0.000 0.943 318 R CA 0.686 56.768 56.100 -0.030 0.000 1.038 318 R CB 0.159 30.454 30.300 -0.009 0.000 0.957 318 R HN 0.277 nan 8.270 nan 0.000 0.484 319 A N 2.400 125.176 122.820 -0.073 0.000 1.972 319 A HA -0.211 4.115 4.320 0.009 0.000 0.219 319 A C 2.061 179.669 177.584 0.039 0.000 1.169 319 A CA 1.530 53.526 52.037 -0.069 0.000 0.635 319 A CB -0.287 18.644 19.000 -0.115 0.000 0.810 319 A HN 0.351 nan 8.150 nan 0.000 0.446 320 K N -0.047 120.374 120.400 0.036 0.000 2.280 320 K HA -0.121 4.205 4.320 0.009 0.000 0.202 320 K C 1.310 177.886 176.600 -0.041 0.000 1.047 320 K CA 1.555 57.848 56.287 0.010 0.000 0.942 320 K CB -0.259 32.250 32.500 0.014 0.000 0.739 320 K HN 0.531 nan 8.250 nan 0.000 0.457 321 E N 0.775 120.951 120.200 -0.040 0.000 2.204 321 E HA -0.122 4.234 4.350 0.009 0.000 0.195 321 E C 1.747 178.306 176.600 -0.068 0.000 0.990 321 E CA 0.960 57.347 56.400 -0.021 0.000 0.821 321 E CB -0.026 29.716 29.700 0.070 0.000 0.750 321 E HN 0.266 nan 8.360 nan 0.000 0.477 322 L N -0.207 120.927 121.223 -0.148 0.000 2.084 322 L HA 0.021 4.366 4.340 0.009 0.000 0.202 322 L C 0.765 177.510 176.870 -0.208 0.000 1.074 322 L CA 0.918 55.638 54.840 -0.201 0.000 0.757 322 L CB 0.246 42.060 42.059 -0.409 0.000 0.918 322 L HN -0.130 nan 8.230 nan 0.000 0.444 323 R N 0.290 120.613 120.500 -0.296 0.000 2.575 323 R HA 0.156 4.501 4.340 0.009 0.000 0.293 323 R C 0.042 175.944 176.300 -0.662 0.000 0.983 323 R CA -0.363 55.287 56.100 -0.749 0.000 0.887 323 R CB 1.385 30.589 30.300 -1.828 0.000 1.184 323 R HN 0.128 nan 8.270 nan 0.000 0.445 324 D N 2.817 122.964 120.400 -0.421 0.000 2.149 324 D HA -0.216 4.429 4.640 0.009 0.000 0.198 324 D C 1.369 177.560 176.300 -0.183 0.000 0.990 324 D CA 1.498 55.373 54.000 -0.209 0.000 0.839 324 D CB -0.251 40.495 40.800 -0.089 0.000 0.948 324 D HN 0.564 nan 8.370 nan 0.000 0.460 325 F N -0.408 119.430 119.950 -0.186 0.000 2.546 325 F HA 0.055 4.588 4.527 0.009 0.000 0.298 325 F C 1.625 177.388 175.800 -0.061 0.000 1.120 325 F CA -0.158 57.733 58.000 -0.182 0.000 1.456 325 F CB -1.158 37.646 39.000 -0.327 0.000 1.088 325 F HN -0.221 nan 8.300 nan 0.000 0.572 326 Y N 1.363 121.527 120.300 -0.226 0.000 2.483 326 Y HA 0.080 4.635 4.550 0.009 0.000 0.291 326 Y C 2.473 178.452 175.900 0.132 0.000 1.143 326 Y CA 0.096 58.218 58.100 0.038 0.000 1.289 326 Y CB -1.146 37.253 38.460 -0.103 0.000 0.983 326 Y HN 0.296 nan 8.280 nan 0.000 0.556 327 A N -0.953 121.999 122.820 0.220 0.000 2.169 327 A HA 0.084 4.409 4.320 0.009 0.000 0.212 327 A C 0.845 178.551 177.584 0.204 0.000 1.153 327 A CA 0.718 52.859 52.037 0.174 0.000 0.756 327 A CB -0.474 18.589 19.000 0.106 0.000 0.813 327 A HN 0.189 nan 8.150 nan 0.000 0.471 328 T N 1.263 115.981 114.554 0.273 0.000 2.824 328 T HA 0.501 4.857 4.350 0.009 0.000 0.282 328 T C -3.069 171.821 174.700 0.316 0.000 0.993 328 T CA -1.544 60.718 62.100 0.269 0.000 0.967 328 T CB 1.712 70.725 68.868 0.242 0.000 0.960 328 T HN -0.110 nan 8.240 nan 0.000 0.441 329 P HA 0.098 nan 4.420 nan 0.000 0.261 329 P C -0.292 176.860 177.300 -0.247 0.000 1.183 329 P CA 0.277 63.378 63.100 0.001 0.000 0.761 329 P CB 0.129 31.992 31.700 0.272 0.000 0.785 330 H N 1.334 119.877 119.070 -0.878 0.000 2.967 330 H HA 0.379 4.940 4.556 0.009 0.000 0.318 330 H C -1.590 173.138 175.328 -1.000 0.000 1.375 330 H CA -1.184 54.322 56.048 -0.905 0.000 1.132 330 H CB 0.426 30.050 29.762 -0.229 0.000 1.848 330 H HN 0.173 nan 8.280 nan 0.000 0.524 331 L N 1.841 122.840 121.223 -0.374 0.000 2.367 331 L HA 0.373 4.719 4.340 0.009 0.000 0.275 331 L C -0.872 175.874 176.870 -0.207 0.000 1.129 331 L CA -0.112 54.614 54.840 -0.189 0.000 0.839 331 L CB 0.724 42.749 42.059 -0.056 0.000 1.133 331 L HN 0.457 nan 8.230 nan 0.000 0.453 332 V N 5.822 125.532 119.914 -0.340 0.000 2.495 332 V HA 0.599 4.724 4.120 0.009 0.000 0.298 332 V C -0.319 175.551 176.094 -0.374 0.000 1.031 332 V CA -0.701 61.278 62.300 -0.534 0.000 0.871 332 V CB 1.696 32.997 31.823 -0.869 0.000 0.988 332 V HN 0.570 nan 8.190 nan 0.000 0.432 333 V N 2.920 122.648 119.914 -0.310 0.000 2.680 333 V HA 0.804 4.929 4.120 0.009 0.000 0.309 333 V C 0.447 176.533 176.094 -0.013 0.000 1.052 333 V CA -0.719 61.504 62.300 -0.128 0.000 0.908 333 V CB 2.040 33.811 31.823 -0.086 0.000 1.001 333 V HN 1.032 nan 8.190 nan 0.000 0.431 334 A N 1.211 124.039 122.820 0.013 0.000 2.371 334 A HA 0.480 4.805 4.320 0.009 0.000 0.257 334 A C 0.447 178.189 177.584 0.263 0.000 1.089 334 A CA 0.206 52.269 52.037 0.044 0.000 0.794 334 A CB 0.111 19.105 19.000 -0.010 0.000 1.029 334 A HN 1.102 nan 8.150 nan 0.000 0.488 335 H N 0.639 119.745 119.070 0.059 0.000 2.695 335 H HA 0.197 4.758 4.556 0.009 0.000 0.267 335 H C 0.207 175.695 175.328 0.267 0.000 0.973 335 H CA 1.608 57.749 56.048 0.155 0.000 1.223 335 H CB 0.733 30.392 29.762 -0.173 0.000 1.442 335 H HN 0.466 nan 8.280 nan 0.000 0.478 336 T N 1.244 115.824 114.554 0.043 0.000 3.532 336 T HA 0.293 4.648 4.350 0.009 0.000 0.241 336 T C 0.059 174.718 174.700 -0.069 0.000 1.238 336 T CA -0.425 61.651 62.100 -0.040 0.000 1.405 336 T CB 0.102 68.980 68.868 0.017 0.000 0.971 336 T HN 0.222 nan 8.240 nan 0.000 0.640 337 K N 1.348 121.713 120.400 -0.060 0.000 2.564 337 K HA 0.486 4.812 4.320 0.009 0.000 0.205 337 K C 1.017 177.573 176.600 -0.074 0.000 1.053 337 K CA -0.500 55.746 56.287 -0.067 0.000 1.072 337 K CB 1.207 33.676 32.500 -0.053 0.000 0.822 337 K HN 0.562 nan 8.250 nan 0.000 0.497 338 G N 0.810 109.548 108.800 -0.104 0.000 2.725 338 G HA2 -0.243 3.723 3.960 0.009 0.000 0.220 338 G HA3 -0.243 3.723 3.960 0.009 0.000 0.220 338 G C -0.320 174.551 174.900 -0.049 0.000 1.357 338 G CA -0.824 44.221 45.100 -0.092 0.000 0.866 338 G HN 0.062 nan 8.290 nan 0.000 0.548 339 T N 2.156 116.684 114.554 -0.043 0.000 3.455 339 T HA 0.528 4.884 4.350 0.009 0.000 0.286 339 T C 0.683 175.367 174.700 -0.027 0.000 1.157 339 T CA 0.866 62.950 62.100 -0.026 0.000 1.090 339 T CB -0.663 68.185 68.868 -0.034 0.000 1.112 339 T HN 0.788 nan 8.240 nan 0.000 0.779 340 R N -0.393 120.094 120.500 -0.022 0.000 2.781 340 R HA 0.750 5.096 4.340 0.009 0.000 0.269 340 R C -1.858 174.421 176.300 -0.034 0.000 1.025 340 R CA -1.161 54.918 56.100 -0.034 0.000 0.914 340 R CB 1.121 31.394 30.300 -0.046 0.000 1.236 340 R HN 0.056 nan 8.270 nan 0.000 0.465 341 V N 1.711 121.586 119.914 -0.064 0.000 2.313 341 V HA 0.371 4.496 4.120 0.009 0.000 0.278 341 V C -0.638 175.399 176.094 -0.095 0.000 1.017 341 V CA -0.720 61.530 62.300 -0.084 0.000 0.823 341 V CB 1.400 33.145 31.823 -0.130 0.000 1.010 341 V HN 0.502 nan 8.190 nan 0.000 0.443 342 V N 4.339 124.208 119.914 -0.076 0.000 2.384 342 V HA 0.877 5.002 4.120 0.009 0.000 0.287 342 V C 0.320 176.353 176.094 -0.102 0.000 1.020 342 V CA -0.296 61.951 62.300 -0.088 0.000 0.850 342 V CB 1.477 33.249 31.823 -0.085 0.000 0.987 342 V HN 0.953 nan 8.190 nan 0.000 0.436 343 A N 4.062 126.821 122.820 -0.101 0.000 2.435 343 A HA 1.046 5.372 4.320 0.009 0.000 0.304 343 A C -0.467 177.081 177.584 -0.061 0.000 1.064 343 A CA -0.217 51.759 52.037 -0.102 0.000 0.727 343 A CB 2.050 20.991 19.000 -0.098 0.000 1.284 343 A HN 1.525 nan 8.150 nan 0.000 0.415 344 A N 0.932 123.717 122.820 -0.059 0.000 2.594 344 A HA 0.656 4.981 4.320 0.009 0.000 0.295 344 A C -1.400 176.235 177.584 0.086 0.000 1.071 344 A CA -0.350 51.705 52.037 0.031 0.000 0.685 344 A CB 0.910 19.902 19.000 -0.013 0.000 1.285 344 A HN 1.356 nan 8.150 nan 0.000 0.405 345 W N 2.606 123.913 121.300 0.011 0.000 2.335 345 W HA 0.354 5.020 4.660 0.009 0.000 0.306 345 W C -1.124 175.441 176.519 0.076 0.000 1.216 345 W CA 0.149 57.513 57.345 0.032 0.000 1.237 345 W CB 1.252 30.756 29.460 0.073 0.000 1.243 345 W HN 0.775 nan 8.180 nan 0.000 0.493 346 D N 4.779 124.922 120.400 -0.428 0.000 2.483 346 D HA -0.053 4.593 4.640 0.009 0.000 0.220 346 D C 1.439 177.590 176.300 -0.249 0.000 1.173 346 D CA 0.153 54.047 54.000 -0.177 0.000 0.964 346 D CB 0.392 41.108 40.800 -0.141 0.000 1.046 346 D HN 0.606 nan 8.370 nan 0.000 0.517 347 E N 2.482 122.763 120.200 0.134 0.000 2.208 347 E HA -0.129 4.227 4.350 0.009 0.000 0.193 347 E C 1.308 178.012 176.600 0.173 0.000 0.988 347 E CA 0.430 57.006 56.400 0.293 0.000 0.828 347 E CB 0.121 30.095 29.700 0.457 0.000 0.763 347 E HN 0.300 nan 8.360 nan 0.000 0.478 348 R N 0.582 121.133 120.500 0.085 0.000 2.161 348 R HA 0.177 4.522 4.340 0.009 0.000 0.213 348 R C 0.393 176.803 176.300 0.184 0.000 1.055 348 R CA 0.605 56.707 56.100 0.004 0.000 0.996 348 R CB -0.041 29.992 30.300 -0.445 0.000 0.901 348 R HN 0.230 nan 8.270 nan 0.000 0.456 349 A N 0.865 123.831 122.820 0.243 0.000 2.165 349 A HA -0.214 4.112 4.320 0.009 0.000 0.272 349 A C -0.847 176.990 177.584 0.421 0.000 1.398 349 A CA 0.331 52.563 52.037 0.326 0.000 0.726 349 A CB -1.865 17.294 19.000 0.264 0.000 1.179 349 A HN 0.307 nan 8.150 nan 0.000 0.327 350 Y N 1.569 121.990 120.300 0.201 0.000 2.488 350 Y HA 0.626 5.182 4.550 0.009 0.000 0.325 350 Y C -1.741 174.089 175.900 -0.116 0.000 1.204 350 Y CA -1.945 56.156 58.100 0.002 0.000 1.229 350 Y CB 0.977 39.381 38.460 -0.093 0.000 1.274 350 Y HN 0.447 nan 8.280 nan 0.000 0.493 351 P HA 0.003 nan 4.420 nan 0.000 0.276 351 P C -1.331 175.638 177.300 -0.553 0.000 1.235 351 P CA 0.094 62.854 63.100 -0.566 0.000 0.772 351 P CB 0.375 31.843 31.700 -0.386 0.000 0.871 352 W N 2.759 123.723 121.300 -0.560 0.000 2.632 352 W HA 0.467 5.133 4.660 0.009 0.000 0.328 352 W C 1.554 178.016 176.519 -0.095 0.000 1.044 352 W CA -0.553 56.699 57.345 -0.156 0.000 1.225 352 W CB 1.929 31.530 29.460 0.235 0.000 1.396 352 W HN 0.338 nan 8.180 nan 0.000 0.499 353 R N 0.660 121.166 120.500 0.010 0.000 2.280 353 R HA 0.092 4.438 4.340 0.009 0.000 0.195 353 R C -0.142 176.300 176.300 0.237 0.000 0.935 353 R CA 0.880 57.015 56.100 0.058 0.000 1.033 353 R CB 0.451 30.638 30.300 -0.188 0.000 0.964 353 R HN 0.412 nan 8.270 nan 0.000 0.489 354 E N 0.207 120.566 120.200 0.266 0.000 2.450 354 E HA 0.294 4.650 4.350 0.009 0.000 0.272 354 E C -0.657 175.851 176.600 -0.152 0.000 0.967 354 E CA -0.692 55.770 56.400 0.103 0.000 0.818 354 E CB 1.365 31.148 29.700 0.139 0.000 1.401 354 E HN 0.024 nan 8.360 nan 0.000 0.450 355 E N -0.743 119.084 120.200 -0.621 0.000 8.579 355 E HA -0.158 4.198 4.350 0.009 0.000 0.541 355 E C -0.966 174.862 176.600 -1.288 0.000 1.412 355 E CA 0.286 56.198 56.400 -0.814 0.000 2.608 355 E CB -1.030 28.299 29.700 -0.618 0.000 0.975 355 E HN 0.339 nan 8.360 nan 0.000 0.263 356 F N 1.003 120.554 119.950 -0.666 0.000 2.384 356 F HA 0.335 4.867 4.527 0.009 0.000 0.338 356 F C 1.184 176.497 175.800 -0.811 0.000 1.103 356 F CA 0.134 57.822 58.000 -0.520 0.000 1.157 356 F CB 0.725 39.582 39.000 -0.238 0.000 1.167 356 F HN 0.132 nan 8.300 nan 0.000 0.529 357 H N 4.185 123.126 119.070 -0.215 0.000 2.727 357 H HA 0.417 4.979 4.556 0.009 0.000 0.330 357 H C -1.265 173.803 175.328 -0.434 0.000 0.986 357 H CA -0.733 55.080 56.048 -0.393 0.000 1.251 357 H CB 1.800 31.140 29.762 -0.702 0.000 1.493 357 H HN 0.354 nan 8.280 nan 0.000 0.515 358 L N 4.553 125.663 121.223 -0.187 0.000 2.305 358 L HA 0.238 4.584 4.340 0.009 0.000 0.284 358 L C -0.623 176.324 176.870 0.129 0.000 1.013 358 L CA -0.405 54.385 54.840 -0.084 0.000 0.819 358 L CB 1.405 43.286 42.059 -0.297 0.000 1.227 358 L HN 0.378 nan 8.230 nan 0.000 0.417 359 L N 5.767 127.126 121.223 0.228 0.000 2.319 359 L HA 0.500 4.846 4.340 0.009 0.000 0.281 359 L C -2.182 174.883 176.870 0.326 0.000 1.005 359 L CA -1.880 53.105 54.840 0.242 0.000 0.828 359 L CB 1.403 43.501 42.059 0.065 0.000 1.227 359 L HN 0.323 nan 8.230 nan 0.000 0.415 360 P HA 0.065 nan 4.420 nan 0.000 0.265 360 P C -0.248 176.986 177.300 -0.111 0.000 1.193 360 P CA -0.011 62.928 63.100 -0.269 0.000 0.765 360 P CB 0.961 32.554 31.700 -0.180 0.000 0.823 361 K N 1.525 121.760 120.400 -0.274 0.000 2.138 361 K HA 0.119 4.445 4.320 0.009 0.000 0.251 361 K C 0.483 177.014 176.600 -0.116 0.000 1.015 361 K CA -0.505 55.691 56.287 -0.151 0.000 0.917 361 K CB 0.286 32.625 32.500 -0.269 0.000 1.021 361 K HN 0.396 nan 8.250 nan 0.000 0.485 362 E N 0.332 120.540 120.200 0.014 0.000 2.493 362 E HA -0.015 4.341 4.350 0.009 0.000 0.255 362 E C 0.518 177.106 176.600 -0.020 0.000 0.999 362 E CA 1.347 57.760 56.400 0.022 0.000 0.934 362 E CB -0.229 29.515 29.700 0.074 0.000 0.940 362 E HN 0.691 nan 8.360 nan 0.000 0.473 363 G N 2.964 111.738 108.800 -0.042 0.000 2.136 363 G HA2 -0.228 3.737 3.960 0.009 0.000 0.242 363 G HA3 -0.228 3.737 3.960 0.009 0.000 0.242 363 G C -0.082 174.715 174.900 -0.172 0.000 0.989 363 G CA 0.053 45.135 45.100 -0.030 0.000 0.682 363 G HN 0.551 nan 8.290 nan 0.000 0.522 364 V N 1.024 120.749 119.914 -0.314 0.000 2.385 364 V HA 0.503 4.629 4.120 0.009 0.000 0.269 364 V C 0.825 176.826 176.094 -0.155 0.000 1.043 364 V CA -0.522 61.546 62.300 -0.386 0.000 0.906 364 V CB 1.090 32.573 31.823 -0.567 0.000 0.995 364 V HN 0.347 nan 8.190 nan 0.000 0.467 365 R N 5.014 125.487 120.500 -0.044 0.000 2.234 365 R HA 0.633 4.979 4.340 0.009 0.000 0.324 365 R C -0.734 175.587 176.300 0.036 0.000 1.054 365 R CA -0.315 55.799 56.100 0.024 0.000 0.912 365 R CB 0.697 31.046 30.300 0.082 0.000 1.030 365 R HN 0.632 nan 8.270 nan 0.000 0.455 366 L N -0.765 120.481 121.223 0.040 0.000 2.341 366 L HA 0.648 4.993 4.340 0.009 0.000 0.267 366 L C -0.437 176.468 176.870 0.059 0.000 1.009 366 L CA -0.876 54.019 54.840 0.092 0.000 0.819 366 L CB 1.670 43.832 42.059 0.171 0.000 1.323 366 L HN 0.293 nan 8.230 nan 0.000 0.425 367 D N 1.578 122.032 120.400 0.090 0.000 2.477 367 D HA 0.414 5.060 4.640 0.009 0.000 0.239 367 D C -1.986 174.331 176.300 0.028 0.000 1.102 367 D CA -1.953 52.071 54.000 0.040 0.000 0.901 367 D CB 1.712 42.556 40.800 0.072 0.000 1.026 367 D HN 0.305 nan 8.370 nan 0.000 0.515 368 P HA -0.203 nan 4.420 nan 0.000 0.214 368 P C 1.491 178.739 177.300 -0.087 0.000 1.169 368 P CA 1.619 64.563 63.100 -0.261 0.000 0.908 368 P CB 0.148 31.251 31.700 -0.995 0.000 0.791 369 S N -1.060 114.580 115.700 -0.099 0.000 2.383 369 S HA -0.134 4.341 4.470 0.009 0.000 0.227 369 S C 2.231 176.868 174.600 0.062 0.000 1.026 369 S CA 1.524 59.722 58.200 -0.003 0.000 0.981 369 S CB -1.541 61.653 63.200 -0.011 0.000 0.818 369 S HN 0.215 nan 8.310 nan 0.000 0.472 370 S N 1.213 116.973 115.700 0.100 0.000 2.383 370 S HA -0.016 4.460 4.470 0.009 0.000 0.227 370 S C 1.845 176.546 174.600 0.168 0.000 1.026 370 S CA 0.959 59.281 58.200 0.203 0.000 0.981 370 S CB -0.630 62.741 63.200 0.285 0.000 0.818 370 S HN 0.484 nan 8.310 nan 0.000 0.472 371 L N 1.760 123.081 121.223 0.163 0.000 2.044 371 L HA 0.136 4.481 4.340 0.009 0.000 0.205 371 L C 2.394 179.287 176.870 0.037 0.000 1.075 371 L CA 1.540 56.440 54.840 0.099 0.000 0.747 371 L CB -0.870 41.326 42.059 0.228 0.000 0.903 371 L HN 0.215 nan 8.230 nan 0.000 0.435 372 V N 0.001 119.954 119.914 0.065 0.000 2.250 372 V HA -0.412 3.714 4.120 0.009 0.000 0.250 372 V C 2.640 178.734 176.094 -0.001 0.000 1.060 372 V CA 2.327 64.652 62.300 0.042 0.000 1.030 372 V CB -0.883 30.999 31.823 0.098 0.000 0.643 372 V HN 0.666 nan 8.190 nan 0.000 0.445 373 Q N -1.070 118.743 119.800 0.023 0.000 2.096 373 Q HA -0.270 4.076 4.340 0.009 0.000 0.204 373 Q C 2.206 178.201 176.000 -0.008 0.000 0.982 373 Q CA 2.379 58.196 55.803 0.024 0.000 0.850 373 Q CB -0.258 28.520 28.738 0.067 0.000 0.901 373 Q HN 0.862 nan 8.270 nan 0.000 0.422 374 W N 0.573 121.692 121.300 -0.303 0.000 2.388 374 W HA -0.155 4.511 4.660 0.009 0.000 0.294 374 W C 1.181 177.558 176.519 -0.236 0.000 1.212 374 W CA 0.750 57.850 57.345 -0.408 0.000 1.271 374 W CB -0.046 28.798 29.460 -1.026 0.000 1.126 374 W HN 0.193 nan 8.180 nan 0.000 0.535 375 L N 1.233 122.203 121.223 -0.421 0.000 2.141 375 L HA -0.213 4.133 4.340 0.009 0.000 0.209 375 L C 2.100 178.756 176.870 -0.356 0.000 1.094 375 L CA 1.093 55.658 54.840 -0.459 0.000 0.763 375 L CB -0.945 40.974 42.059 -0.233 0.000 0.908 375 L HN -0.071 nan 8.230 nan 0.000 0.437 376 N N -0.300 118.260 118.700 -0.232 0.000 2.446 376 N HA -0.030 4.715 4.740 0.009 0.000 0.179 376 N C 0.877 176.289 175.510 -0.163 0.000 1.054 376 N CA 0.523 53.479 53.050 -0.157 0.000 0.905 376 N CB -0.104 38.339 38.487 -0.073 0.000 0.973 376 N HN 0.307 nan 8.380 nan 0.000 0.448 377 S N 1.086 116.658 115.700 -0.213 0.000 2.550 377 S HA -0.015 4.460 4.470 0.009 0.000 0.285 377 S C 1.154 175.660 174.600 -0.157 0.000 1.326 377 S CA -0.134 57.974 58.200 -0.153 0.000 1.037 377 S CB 1.027 64.143 63.200 -0.140 0.000 0.838 377 S HN 0.060 nan 8.310 nan 0.000 0.519 378 E N 1.853 122.010 120.200 -0.072 0.000 2.204 378 E HA -0.069 4.287 4.350 0.009 0.000 0.194 378 E C 2.322 178.887 176.600 -0.058 0.000 0.989 378 E CA 1.342 57.710 56.400 -0.054 0.000 0.824 378 E CB -1.057 28.634 29.700 -0.016 0.000 0.756 378 E HN 0.827 nan 8.360 nan 0.000 0.477 379 A N 0.949 123.736 122.820 -0.056 0.000 1.902 379 A HA -0.185 4.141 4.320 0.009 0.000 0.217 379 A C 2.196 179.701 177.584 -0.132 0.000 1.181 379 A CA 1.883 53.903 52.037 -0.029 0.000 0.623 379 A CB -0.373 18.691 19.000 0.107 0.000 0.818 379 A HN 0.224 nan 8.150 nan 0.000 0.443 380 M N -0.696 118.682 119.600 -0.370 0.000 2.254 380 M HA -0.080 4.406 4.480 0.009 0.000 0.265 380 M C 1.934 178.148 176.300 -0.144 0.000 1.066 380 M CA 1.388 56.450 55.300 -0.398 0.000 1.123 380 M CB -0.376 31.793 32.600 -0.719 0.000 1.388 380 M HN 0.371 nan 8.290 nan 0.000 0.425 381 Q N 0.222 119.944 119.800 -0.130 0.000 2.046 381 Q HA -0.201 4.145 4.340 0.009 0.000 0.200 381 Q C 2.173 178.154 176.000 -0.032 0.000 0.975 381 Q CA 1.818 57.578 55.803 -0.072 0.000 0.836 381 Q CB -0.847 27.848 28.738 -0.072 0.000 0.896 381 Q HN 0.624 nan 8.270 nan 0.000 0.428 382 K N -0.026 120.364 120.400 -0.016 0.000 2.032 382 K HA -0.251 4.074 4.320 0.009 0.000 0.209 382 K C 2.130 178.743 176.600 0.022 0.000 1.048 382 K CA 1.625 57.912 56.287 0.000 0.000 0.927 382 K CB -0.246 32.265 32.500 0.018 0.000 0.712 382 K HN 0.202 nan 8.250 nan 0.000 0.441 383 H N 0.358 119.404 119.070 -0.040 0.000 2.289 383 H HA -0.158 4.403 4.556 0.009 0.000 0.294 383 H C 1.797 177.107 175.328 -0.030 0.000 1.095 383 H CA 2.819 58.854 56.048 -0.021 0.000 1.256 383 H CB -0.305 29.454 29.762 -0.006 0.000 1.359 383 H HN 0.158 nan 8.280 nan 0.000 0.487 384 V N -1.295 118.609 119.914 -0.016 0.000 2.453 384 V HA -0.065 4.061 4.120 0.009 0.000 0.247 384 V C 2.470 178.539 176.094 -0.041 0.000 1.048 384 V CA 1.947 64.263 62.300 0.025 0.000 1.049 384 V CB -0.667 31.234 31.823 0.130 0.000 0.672 384 V HN 0.200 nan 8.190 nan 0.000 0.457 385 R N 1.308 121.758 120.500 -0.082 0.000 2.120 385 R HA -0.067 4.279 4.340 0.009 0.000 0.234 385 R C 2.218 178.381 176.300 -0.228 0.000 1.123 385 R CA 2.348 58.365 56.100 -0.139 0.000 0.975 385 R CB -1.474 28.764 30.300 -0.104 0.000 0.866 385 R HN 0.637 nan 8.270 nan 0.000 0.446 386 T N 0.787 115.216 114.554 -0.208 0.000 2.701 386 T HA -0.063 4.292 4.350 0.009 0.000 0.263 386 T C 1.744 176.253 174.700 -0.318 0.000 1.040 386 T CA 1.621 63.589 62.100 -0.219 0.000 1.147 386 T CB -0.198 68.608 68.868 -0.103 0.000 0.865 386 T HN 0.134 nan 8.240 nan 0.000 0.426 387 L N -0.821 120.125 121.223 -0.462 0.000 2.027 387 L HA -0.037 4.308 4.340 0.009 0.000 0.206 387 L C 2.001 178.384 176.870 -0.812 0.000 1.074 387 L CA 1.446 55.851 54.840 -0.724 0.000 0.745 387 L CB -0.390 40.921 42.059 -1.247 0.000 0.898 387 L HN 0.312 nan 8.230 nan 0.000 0.433 388 Y N -1.955 118.114 120.300 -0.386 0.000 2.445 388 Y HA 0.254 4.810 4.550 0.010 0.000 0.247 388 Y C 1.359 176.553 175.900 -1.177 0.000 1.129 388 Y CA -0.930 56.765 58.100 -0.675 0.000 1.251 388 Y CB 0.068 38.342 38.460 -0.311 0.000 1.176 388 Y HN -0.021 nan 8.280 nan 0.000 0.522 389 R N 0.691 120.786 120.500 -0.675 0.000 3.793 389 R HA -0.270 4.076 4.340 0.009 0.000 0.464 389 R C -0.121 175.968 176.300 -0.352 0.000 0.241 389 R CA 1.957 57.709 56.100 -0.580 0.000 1.464 389 R CB -1.460 28.365 30.300 -0.792 0.000 0.954 389 R HN 0.436 nan 8.270 nan 0.000 0.583 390 D N 0.139 120.417 120.400 -0.204 0.000 2.696 390 D HA 0.133 4.778 4.640 0.009 0.000 0.269 390 D C 0.954 177.360 176.300 0.176 0.000 1.319 390 D CA -0.202 53.798 54.000 -0.000 0.000 0.826 390 D CB -0.111 40.725 40.800 0.059 0.000 1.086 390 D HN 0.185 nan 8.370 nan 0.000 0.481 391 F N 1.595 121.612 119.950 0.112 0.000 2.087 391 F HA -0.097 4.436 4.527 0.009 0.000 0.299 391 F C 1.512 177.348 175.800 0.059 0.000 1.100 391 F CA 0.502 58.556 58.000 0.091 0.000 1.226 391 F CB -0.843 38.202 39.000 0.075 0.000 0.983 391 F HN 0.043 nan 8.300 nan 0.000 0.479 392 V N -3.991 116.071 119.914 0.246 0.000 3.007 392 V HA 0.498 4.623 4.120 0.009 0.000 0.311 392 V C -2.557 173.554 176.094 0.028 0.000 1.120 392 V CA -1.943 60.454 62.300 0.163 0.000 0.980 392 V CB 1.999 33.970 31.823 0.247 0.000 1.033 392 V HN -0.163 nan 8.190 nan 0.000 0.429 393 P HA 0.404 nan 4.420 nan 0.000 0.220 393 P C -0.697 176.233 177.300 -0.617 0.000 1.793 393 P CA 0.417 63.316 63.100 -0.336 0.000 0.917 393 P CB -0.768 30.710 31.700 -0.369 0.000 1.755 394 H N -1.146 117.884 119.070 -0.067 0.000 3.064 394 H HA 0.401 4.962 4.556 0.009 0.000 0.352 394 H C -1.128 174.194 175.328 -0.010 0.000 1.260 394 H CA -0.981 54.997 56.048 -0.117 0.000 1.160 394 H CB 1.316 30.968 29.762 -0.185 0.000 1.879 394 H HN -0.072 nan 8.280 nan 0.000 0.544 395 L N 2.598 123.957 121.223 0.227 0.000 2.260 395 L HA 0.408 4.753 4.340 0.009 0.000 0.289 395 L C 0.113 177.246 176.870 0.438 0.000 1.057 395 L CA 0.008 54.973 54.840 0.210 0.000 0.811 395 L CB 0.464 42.623 42.059 0.168 0.000 1.184 395 L HN 0.833 nan 8.230 nan 0.000 0.429 396 T N 1.548 116.222 114.554 0.200 0.000 2.912 396 T HA 0.268 4.623 4.350 0.009 0.000 0.280 396 T C 1.028 175.710 174.700 -0.030 0.000 0.989 396 T CA -0.666 61.586 62.100 0.253 0.000 0.995 396 T CB 0.999 69.941 68.868 0.123 0.000 1.077 396 T HN 0.554 nan 8.240 nan 0.000 0.531 397 L N 0.642 121.851 121.223 -0.023 0.000 2.042 397 L HA -0.004 4.342 4.340 0.009 0.000 0.210 397 L C 2.603 179.376 176.870 -0.162 0.000 1.076 397 L CA 1.671 56.382 54.840 -0.214 0.000 0.749 397 L CB -0.961 41.082 42.059 -0.027 0.000 0.893 397 L HN 0.584 nan 8.230 nan 0.000 0.432 398 R N -0.746 119.704 120.500 -0.084 0.000 2.120 398 R HA -0.094 4.252 4.340 0.009 0.000 0.234 398 R C 2.088 178.328 176.300 -0.098 0.000 1.123 398 R CA 1.846 57.911 56.100 -0.059 0.000 0.975 398 R CB -0.726 29.567 30.300 -0.012 0.000 0.866 398 R HN 0.488 nan 8.270 nan 0.000 0.446 399 M N -0.344 119.121 119.600 -0.225 0.000 2.193 399 M HA -0.068 4.418 4.480 0.009 0.000 0.265 399 M C 2.106 178.324 176.300 -0.136 0.000 1.071 399 M CA 0.911 56.027 55.300 -0.308 0.000 1.140 399 M CB -0.354 31.846 32.600 -0.667 0.000 1.369 399 M HN -0.006 nan 8.290 nan 0.000 0.423 400 L N 1.646 122.741 121.223 -0.213 0.000 2.046 400 L HA -0.188 4.157 4.340 0.009 0.000 0.208 400 L C 2.387 179.175 176.870 -0.137 0.000 1.077 400 L CA 2.046 56.745 54.840 -0.234 0.000 0.747 400 L CB -0.705 41.045 42.059 -0.514 0.000 0.896 400 L HN 0.456 nan 8.230 nan 0.000 0.432 401 E N -1.042 119.089 120.200 -0.115 0.000 2.338 401 E HA -0.198 4.157 4.350 0.009 0.000 0.197 401 E C 1.702 178.318 176.600 0.027 0.000 1.007 401 E CA 0.800 57.177 56.400 -0.040 0.000 0.849 401 E CB -0.287 29.393 29.700 -0.035 0.000 0.774 401 E HN 0.525 nan 8.360 nan 0.000 0.506 402 R N 0.634 121.164 120.500 0.051 0.000 2.362 402 R HA 0.276 4.621 4.340 0.009 0.000 0.227 402 R C 0.206 176.600 176.300 0.155 0.000 0.905 402 R CA -0.235 55.931 56.100 0.110 0.000 1.067 402 R CB 0.239 30.624 30.300 0.142 0.000 1.078 402 R HN 0.174 nan 8.270 nan 0.000 0.516 403 L N 3.625 124.926 121.223 0.130 0.000 2.499 403 L HA 0.124 4.470 4.340 0.009 0.000 0.273 403 L C -2.108 174.870 176.870 0.180 0.000 1.195 403 L CA -1.654 53.281 54.840 0.158 0.000 0.882 403 L CB 0.139 42.250 42.059 0.087 0.000 1.133 403 L HN -0.233 nan 8.230 nan 0.000 0.483 404 P HA 0.232 nan 4.420 nan 0.000 0.292 404 P C -1.021 176.465 177.300 0.310 0.000 1.287 404 P CA -0.333 62.890 63.100 0.204 0.000 0.800 404 P CB 1.531 33.315 31.700 0.140 0.000 0.945 405 V N 4.404 124.447 119.914 0.215 0.000 2.443 405 V HA 0.408 4.534 4.120 0.009 0.000 0.293 405 V C 0.744 176.893 176.094 0.093 0.000 1.021 405 V CA -0.776 61.654 62.300 0.217 0.000 0.848 405 V CB 1.125 33.117 31.823 0.282 0.000 0.998 405 V HN 0.562 nan 8.190 nan 0.000 0.424 406 R N 3.745 124.240 120.500 -0.009 0.000 2.546 406 R HA 0.538 4.884 4.340 0.009 0.000 0.266 406 R C 0.829 177.059 176.300 -0.116 0.000 1.086 406 R CA -0.665 55.377 56.100 -0.096 0.000 1.160 406 R CB 1.144 31.319 30.300 -0.209 0.000 1.138 406 R HN 0.464 nan 8.270 nan 0.000 0.567 407 R N 0.325 120.778 120.500 -0.078 0.000 2.170 407 R HA -0.151 4.194 4.340 0.009 0.000 0.242 407 R C 1.774 178.012 176.300 -0.102 0.000 1.145 407 R CA 1.414 57.538 56.100 0.040 0.000 0.984 407 R CB -0.187 30.202 30.300 0.150 0.000 0.869 407 R HN 0.691 nan 8.270 nan 0.000 0.455 408 E N -0.035 119.933 120.200 -0.387 0.000 2.114 408 E HA -0.217 4.139 4.350 0.009 0.000 0.199 408 E C 1.464 177.802 176.600 -0.436 0.000 1.008 408 E CA 1.692 57.737 56.400 -0.592 0.000 0.810 408 E CB -0.041 28.963 29.700 -1.161 0.000 0.739 408 E HN 0.465 nan 8.360 nan 0.000 0.456 409 Y N -1.335 118.966 120.300 0.001 0.000 2.524 409 Y HA 0.360 4.915 4.550 0.009 0.000 0.270 409 Y C 1.251 177.216 175.900 0.108 0.000 1.094 409 Y CA 0.427 58.559 58.100 0.054 0.000 1.276 409 Y CB 0.733 39.229 38.460 0.060 0.000 1.130 409 Y HN -0.079 nan 8.280 nan 0.000 0.536 410 G N -0.535 108.398 108.800 0.221 0.000 2.768 410 G HA2 0.441 4.407 3.960 0.009 0.000 0.297 410 G HA3 0.441 4.407 3.960 0.009 0.000 0.297 410 G C -2.224 172.782 174.900 0.176 0.000 1.430 410 G CA -0.537 44.677 45.100 0.189 0.000 1.030 410 G HN -0.073 nan 8.290 nan 0.000 0.553 411 F N 2.717 122.660 119.950 -0.012 0.000 2.539 411 F HA 0.532 5.065 4.527 0.009 0.000 0.318 411 F C -0.631 175.165 175.800 -0.007 0.000 1.135 411 F CA -0.909 57.088 58.000 -0.005 0.000 0.915 411 F CB 2.016 41.006 39.000 -0.018 0.000 1.176 411 F HN 0.496 nan 8.300 nan 0.000 0.440 412 H N 5.106 123.862 119.070 -0.523 0.000 2.690 412 H HA 0.260 4.821 4.556 0.009 0.000 0.289 412 H C 0.121 175.225 175.328 -0.374 0.000 1.089 412 H CA 0.014 55.859 56.048 -0.339 0.000 1.299 412 H CB 0.713 30.305 29.762 -0.283 0.000 1.405 412 H HN 0.796 nan 8.280 nan 0.000 0.463 413 T N 0.000 114.680 114.554 0.210 0.000 3.816 413 T HA 0.000 4.356 4.350 0.009 0.000 0.228 413 T CA 0.000 62.267 62.100 0.278 0.000 1.349 413 T CB 0.000 69.029 68.868 0.268 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658