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 3kw7_1_B DATA FIRST_RESID 1 DATA SEQUENCE AIGPVTDLTI SNADVTPDGF TRAAVVANGV FPGPLITGNK GDNFQINVID DATA SEQUENCE NLTNATMLKT TTIHWHGLFQ HGTNWADGPA FVNQcPIASG NSFLYDFTVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPLVVYDPS DPYASMYDVD DDTTVITLSD DATA SEQUENCE WYHTAAKLGP AFPPNADSVL INGLGRFAGG NASDLAVITV EQNKRYRFRL DATA SEQUENCE VSLScDPNFT FSIDGHNMTI IEVDGVNHEP LEVDSIQIFA SQRYSFVLNA DATA SEQUENCE TQSVDNYWIR AIPNTGTIDT TGGLNSAILR YSGADIVDPT ANATTSVIPL DATA SEQUENCE VETDLVPLDS PAAPGDPVVG GVDLAMNLDF SFNGTNFFIN NETLIPPTVP DATA SEQUENCE VLLQILSGAQ SASDLLPTGS VYTLPLNSTI ELSFPITTVN GVTNAPGAPH DATA SEQUENCE PFHLHGHAFS VVRSAGSSDY NYVNPVRRDT VSTGNPGDNV TIRFTTDNAG DATA SEQUENCE PWFLHCHIDF HLEAGFAIVF AEDTPDTASV NPVPTAWSDL cPTYDALDPS DATA SEQUENCE DH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.644 177.584 0.100 0.000 1.274 1 A CA 0.000 52.103 52.037 0.110 0.000 0.836 1 A CB 0.000 19.078 19.000 0.129 0.000 0.831 2 I N -1.935 118.700 120.570 0.108 0.000 3.501 2 I HA 0.764 4.935 4.170 0.001 0.000 0.297 2 I C 0.948 177.121 176.117 0.093 0.000 1.199 2 I CA -0.501 60.852 61.300 0.088 0.000 0.987 2 I CB 0.698 38.746 38.000 0.079 0.000 1.365 2 I HN 2.195 nan 8.210 nan 0.000 0.574 3 G N 1.524 110.363 108.800 0.064 0.000 2.752 3 G HA2 -0.161 3.800 3.960 0.001 0.000 0.234 3 G HA3 -0.161 3.800 3.960 0.001 0.000 0.234 3 G C -1.920 172.977 174.900 -0.006 0.000 1.367 3 G CA -0.063 45.067 45.100 0.049 0.000 0.879 3 G HN 0.725 nan 8.290 nan 0.000 0.563 4 P HA 0.159 nan 4.420 nan 0.000 0.237 4 P C 0.433 177.647 177.300 -0.143 0.000 1.178 4 P CA 0.874 63.834 63.100 -0.233 0.000 0.766 4 P CB 0.201 31.412 31.700 -0.816 0.000 0.876 5 V N -0.084 119.765 119.914 -0.107 0.000 2.357 5 V HA 0.531 4.652 4.120 0.001 0.000 0.284 5 V C 0.109 176.188 176.094 -0.026 0.000 1.018 5 V CA -0.042 62.213 62.300 -0.076 0.000 0.841 5 V CB 1.362 33.133 31.823 -0.087 0.000 0.991 5 V HN 0.059 nan 8.190 nan 0.000 0.437 6 T N 2.779 117.331 114.554 -0.004 0.000 2.786 6 T HA 0.368 4.718 4.350 0.001 0.000 0.316 6 T C -2.006 172.721 174.700 0.045 0.000 1.503 6 T CA -0.571 61.542 62.100 0.023 0.000 1.019 6 T CB 1.962 70.850 68.868 0.034 0.000 1.415 6 T HN 0.566 nan 8.240 nan 0.000 0.496 7 D N 1.645 122.079 120.400 0.057 0.000 2.177 7 D HA 0.561 5.202 4.640 0.001 0.000 0.247 7 D C -0.792 175.565 176.300 0.095 0.000 1.063 7 D CA -0.147 53.902 54.000 0.080 0.000 0.867 7 D CB 1.571 42.414 40.800 0.072 0.000 1.168 7 D HN 0.299 nan 8.370 nan 0.000 0.445 8 L N 2.503 123.801 121.223 0.125 0.000 2.345 8 L HA 0.319 4.660 4.340 0.001 0.000 0.274 8 L C -0.206 176.755 176.870 0.152 0.000 0.999 8 L CA -0.479 54.441 54.840 0.134 0.000 0.849 8 L CB 0.986 43.129 42.059 0.139 0.000 1.220 8 L HN 0.404 nan 8.230 nan 0.000 0.422 9 T N 3.325 117.961 114.554 0.136 0.000 2.817 9 T HA 0.591 4.941 4.350 0.001 0.000 0.293 9 T C -0.025 174.764 174.700 0.149 0.000 0.964 9 T CA -0.605 61.575 62.100 0.134 0.000 1.085 9 T CB 0.691 69.626 68.868 0.111 0.000 0.921 9 T HN 0.323 nan 8.240 nan 0.000 0.502 10 I N 3.919 124.580 120.570 0.152 0.000 2.362 10 I HA 0.473 4.644 4.170 0.001 0.000 0.289 10 I C 0.245 176.446 176.117 0.140 0.000 0.994 10 I CA -0.607 60.789 61.300 0.161 0.000 1.158 10 I CB 1.020 39.122 38.000 0.171 0.000 1.315 10 I HN 0.972 nan 8.210 nan 0.000 0.451 11 S N 5.089 120.873 115.700 0.140 0.000 2.588 11 S HA 0.535 5.006 4.470 0.001 0.000 0.275 11 S C -0.805 173.869 174.600 0.123 0.000 1.130 11 S CA -1.075 57.197 58.200 0.120 0.000 0.855 11 S CB 2.310 65.575 63.200 0.107 0.000 1.116 11 S HN 0.496 nan 8.310 nan 0.000 0.472 12 N N 1.058 119.821 118.700 0.105 0.000 2.444 12 N HA 0.644 5.384 4.740 0.001 0.000 0.271 12 N C -0.690 174.875 175.510 0.093 0.000 1.069 12 N CA 0.016 53.127 53.050 0.101 0.000 0.965 12 N CB 1.553 40.092 38.487 0.086 0.000 1.092 12 N HN 0.942 nan 8.380 nan 0.000 0.476 13 A N 1.904 124.784 122.820 0.100 0.000 2.574 13 A HA 0.388 4.708 4.320 0.001 0.000 0.297 13 A C -1.305 176.333 177.584 0.090 0.000 1.062 13 A CA -0.897 51.193 52.037 0.088 0.000 0.686 13 A CB 1.063 20.117 19.000 0.091 0.000 1.285 13 A HN 0.473 nan 8.150 nan 0.000 0.403 14 D N 0.669 121.112 120.400 0.072 0.000 2.383 14 D HA 0.391 5.031 4.640 0.001 0.000 0.252 14 D C -0.267 176.076 176.300 0.072 0.000 1.166 14 D CA 0.618 54.660 54.000 0.070 0.000 0.879 14 D CB 1.523 42.348 40.800 0.041 0.000 1.164 14 D HN 0.370 nan 8.370 nan 0.000 0.462 15 V N 1.979 121.946 119.914 0.089 0.000 2.914 15 V HA 0.686 4.806 4.120 0.001 0.000 0.314 15 V C -0.708 175.421 176.094 0.057 0.000 1.084 15 V CA -0.512 61.823 62.300 0.059 0.000 0.963 15 V CB 2.358 34.202 31.823 0.034 0.000 1.025 15 V HN 0.597 nan 8.190 nan 0.000 0.432 16 T N 6.409 120.977 114.554 0.023 0.000 3.141 16 T HA 0.510 4.861 4.350 0.001 0.000 0.377 16 T C -1.836 172.866 174.700 0.005 0.000 1.258 16 T CA -0.791 61.335 62.100 0.044 0.000 1.263 16 T CB 1.294 70.190 68.868 0.046 0.000 1.066 16 T HN 0.697 nan 8.240 nan 0.000 0.546 17 P HA 0.190 nan 4.420 nan 0.000 0.224 17 P C 0.455 177.756 177.300 0.002 0.000 1.159 17 P CA 0.640 63.665 63.100 -0.125 0.000 0.824 17 P CB 0.337 31.783 31.700 -0.423 0.000 0.833 18 D N -1.516 118.960 120.400 0.127 0.000 2.462 18 D HA 0.248 4.888 4.640 0.001 0.000 0.221 18 D C 1.273 177.815 176.300 0.404 0.000 1.173 18 D CA 0.015 54.191 54.000 0.294 0.000 0.831 18 D CB -0.343 40.752 40.800 0.493 0.000 1.001 18 D HN 0.247 nan 8.370 nan 0.000 0.499 19 G N 0.122 109.098 108.800 0.292 0.000 2.176 19 G HA2 -0.268 3.692 3.960 0.001 0.000 0.253 19 G HA3 -0.268 3.692 3.960 0.001 0.000 0.253 19 G C -0.214 174.913 174.900 0.378 0.000 0.979 19 G CA 0.021 45.296 45.100 0.292 0.000 0.641 19 G HN 0.424 nan 8.290 nan 0.000 0.530 20 F N 2.206 122.280 119.950 0.206 0.000 2.427 20 F HA 0.652 5.179 4.527 0.001 0.000 0.348 20 F C 0.418 176.195 175.800 -0.038 0.000 1.125 20 F CA -0.253 57.739 58.000 -0.014 0.000 0.989 20 F CB 1.951 40.676 39.000 -0.458 0.000 1.165 20 F HN 0.017 nan 8.300 nan 0.000 0.442 21 T N 6.203 120.614 114.554 -0.238 0.000 2.761 21 T HA 0.549 4.899 4.350 0.001 0.000 0.296 21 T C -0.564 174.096 174.700 -0.066 0.000 0.934 21 T CA -0.364 61.684 62.100 -0.087 0.000 1.091 21 T CB -0.050 68.754 68.868 -0.107 0.000 0.896 21 T HN 0.802 nan 8.240 nan 0.000 0.515 22 R N 3.288 123.872 120.500 0.139 0.000 2.698 22 R HA 0.782 5.122 4.340 0.001 0.000 0.275 22 R C -0.910 175.475 176.300 0.143 0.000 1.001 22 R CA -0.893 55.297 56.100 0.149 0.000 0.896 22 R CB 0.678 31.121 30.300 0.237 0.000 1.218 22 R HN 0.521 nan 8.270 nan 0.000 0.462 23 A N 1.569 124.445 122.820 0.094 0.000 2.492 23 A HA 0.590 4.911 4.320 0.001 0.000 0.254 23 A C -0.114 177.536 177.584 0.110 0.000 1.091 23 A CA 0.463 52.554 52.037 0.089 0.000 0.768 23 A CB -0.431 18.606 19.000 0.062 0.000 1.028 23 A HN 1.028 nan 8.150 nan 0.000 0.498 24 A N 2.329 125.231 122.820 0.138 0.000 2.527 24 A HA 0.700 5.020 4.320 0.001 0.000 0.293 24 A C -0.582 177.099 177.584 0.161 0.000 1.117 24 A CA -0.542 51.594 52.037 0.165 0.000 0.723 24 A CB 1.064 20.227 19.000 0.271 0.000 1.313 24 A HN 1.061 nan 8.150 nan 0.000 0.411 25 V N 0.555 120.575 119.914 0.178 0.000 2.498 25 V HA 0.545 4.666 4.120 0.001 0.000 0.279 25 V C -0.145 176.099 176.094 0.250 0.000 1.048 25 V CA -0.139 62.275 62.300 0.190 0.000 0.967 25 V CB 0.941 32.872 31.823 0.181 0.000 0.988 25 V HN 0.778 nan 8.190 nan 0.000 0.473 26 V N 4.006 124.061 119.914 0.234 0.000 2.971 26 V HA 0.860 4.981 4.120 0.001 0.000 0.309 26 V C -0.285 175.952 176.094 0.238 0.000 1.130 26 V CA -0.402 62.060 62.300 0.270 0.000 0.964 26 V CB 2.420 34.397 31.823 0.256 0.000 1.029 26 V HN 1.045 nan 8.190 nan 0.000 0.427 27 A N 3.689 126.666 122.820 0.262 0.000 2.274 27 A HA 0.661 4.982 4.320 0.001 0.000 0.309 27 A C 0.599 178.307 177.584 0.206 0.000 1.226 27 A CA -0.076 52.108 52.037 0.246 0.000 0.853 27 A CB 0.083 19.277 19.000 0.324 0.000 1.146 27 A HN 1.366 nan 8.150 nan 0.000 0.518 28 N N 0.885 119.687 118.700 0.170 0.000 2.681 28 N HA -0.253 4.487 4.740 0.001 0.000 0.250 28 N C 1.144 176.733 175.510 0.131 0.000 1.133 28 N CA 2.830 55.964 53.050 0.140 0.000 0.732 28 N CB -1.200 37.368 38.487 0.136 0.000 1.107 28 N HN 1.994 nan 8.380 nan 0.000 0.559 29 G N -2.341 106.544 108.800 0.141 0.000 2.417 29 G HA2 -0.336 3.625 3.960 0.001 0.000 0.233 29 G HA3 -0.336 3.625 3.960 0.001 0.000 0.233 29 G C 0.136 175.119 174.900 0.139 0.000 1.103 29 G CA 0.365 45.543 45.100 0.129 0.000 0.647 29 G HN 0.776 nan 8.290 nan 0.000 0.512 30 V N 1.652 121.649 119.914 0.137 0.000 2.546 30 V HA 0.692 4.812 4.120 0.001 0.000 0.284 30 V C -0.225 175.976 176.094 0.179 0.000 1.050 30 V CA -0.366 62.013 62.300 0.132 0.000 0.981 30 V CB 1.286 33.165 31.823 0.093 0.000 0.990 30 V HN 0.655 nan 8.190 nan 0.000 0.474 31 F N 8.481 128.441 119.950 0.017 0.000 2.482 31 F HA 0.776 5.304 4.527 0.001 0.000 0.331 31 F C -2.221 173.542 175.800 -0.061 0.000 1.115 31 F CA -2.306 55.689 58.000 -0.009 0.000 0.955 31 F CB 1.900 40.867 39.000 -0.055 0.000 1.136 31 F HN 0.407 nan 8.300 nan 0.000 0.452 32 P HA 0.274 nan 4.420 nan 0.000 0.274 32 P C -0.166 176.978 177.300 -0.260 0.000 1.231 32 P CA -0.287 62.247 63.100 -0.944 0.000 0.790 32 P CB 0.664 31.895 31.700 -0.783 0.000 0.951 33 G N 2.676 111.420 108.800 -0.092 0.000 2.583 33 G HA2 0.114 4.075 3.960 0.001 0.000 0.230 33 G HA3 0.114 4.075 3.960 0.001 0.000 0.230 33 G C -2.223 172.792 174.900 0.191 0.000 1.249 33 G CA -0.609 44.584 45.100 0.155 0.000 0.857 33 G HN 0.400 nan 8.290 nan 0.000 0.569 34 P HA 0.036 nan 4.420 nan 0.000 0.267 34 P C 0.038 177.503 177.300 0.276 0.000 1.200 34 P CA -0.490 62.733 63.100 0.206 0.000 0.772 34 P CB 0.777 32.581 31.700 0.174 0.000 0.855 35 L N 3.818 125.160 121.223 0.197 0.000 2.433 35 L HA 0.167 4.507 4.340 0.001 0.000 0.275 35 L C -0.064 176.936 176.870 0.216 0.000 1.128 35 L CA 0.183 55.152 54.840 0.215 0.000 0.875 35 L CB -0.669 41.478 42.059 0.148 0.000 1.171 35 L HN 0.196 nan 8.230 nan 0.000 0.463 36 I N 4.981 125.701 120.570 0.251 0.000 2.371 36 I HA 0.293 4.464 4.170 0.001 0.000 0.290 36 I C 0.258 176.503 176.117 0.214 0.000 1.028 36 I CA -0.163 61.246 61.300 0.182 0.000 1.345 36 I CB 1.062 39.118 38.000 0.093 0.000 1.407 36 I HN 0.712 nan 8.210 nan 0.000 0.501 37 T N 2.174 116.872 114.554 0.241 0.000 2.863 37 T HA 0.877 5.228 4.350 0.001 0.000 0.285 37 T C -0.229 174.656 174.700 0.308 0.000 1.009 37 T CA -0.836 61.429 62.100 0.276 0.000 0.989 37 T CB 2.125 71.186 68.868 0.320 0.000 1.004 37 T HN 0.796 nan 8.240 nan 0.000 0.455 38 G N 1.386 110.388 108.800 0.335 0.000 2.645 38 G HA2 0.597 4.557 3.960 0.001 0.000 0.292 38 G HA3 0.597 4.557 3.960 0.001 0.000 0.292 38 G C -1.688 173.327 174.900 0.192 0.000 1.415 38 G CA -0.972 44.187 45.100 0.098 0.000 0.785 38 G HN 0.735 nan 8.290 nan 0.000 0.483 39 N N 0.180 118.909 118.700 0.049 0.000 2.404 39 N HA 0.280 5.021 4.740 0.001 0.000 0.297 39 N C -0.429 175.132 175.510 0.085 0.000 1.163 39 N CA -0.727 52.391 53.050 0.114 0.000 0.864 39 N CB 2.413 40.940 38.487 0.067 0.000 1.247 39 N HN 0.578 nan 8.380 nan 0.000 0.510 40 K N 0.213 120.685 120.400 0.120 0.000 2.491 40 K HA 0.007 4.328 4.320 0.001 0.000 0.279 40 K C 0.841 177.469 176.600 0.048 0.000 1.026 40 K CA 1.099 57.449 56.287 0.105 0.000 1.070 40 K CB -0.187 32.374 32.500 0.102 0.000 0.887 40 K HN 0.780 nan 8.250 nan 0.000 0.481 41 G N 3.173 111.999 108.800 0.045 0.000 2.184 41 G HA2 -0.232 3.728 3.960 0.001 0.000 0.264 41 G HA3 -0.232 3.728 3.960 0.001 0.000 0.264 41 G C -0.443 174.427 174.900 -0.051 0.000 0.975 41 G CA 0.347 45.450 45.100 0.004 0.000 0.642 41 G HN 0.738 nan 8.290 nan 0.000 0.536 42 D N 0.122 120.457 120.400 -0.108 0.000 2.345 42 D HA 0.416 5.057 4.640 0.001 0.000 0.247 42 D C 0.451 176.547 176.300 -0.340 0.000 1.108 42 D CA -0.233 53.604 54.000 -0.273 0.000 0.894 42 D CB 0.663 41.194 40.800 -0.448 0.000 1.203 42 D HN 0.254 nan 8.370 nan 0.000 0.430 43 N N 1.833 120.338 118.700 -0.324 0.000 2.415 43 N HA 0.115 4.855 4.740 0.001 0.000 0.246 43 N C -1.317 173.922 175.510 -0.451 0.000 1.078 43 N CA -0.328 52.553 53.050 -0.283 0.000 0.942 43 N CB -0.079 38.302 38.487 -0.176 0.000 1.140 43 N HN 0.158 nan 8.380 nan 0.000 0.501 44 F N 1.851 121.476 119.950 -0.542 0.000 2.456 44 F HA 0.246 4.774 4.527 0.001 0.000 0.358 44 F C 0.771 176.151 175.800 -0.701 0.000 1.095 44 F CA 0.123 57.679 58.000 -0.739 0.000 1.216 44 F CB 0.934 39.187 39.000 -1.245 0.000 1.125 44 F HN 0.306 nan 8.300 nan 0.000 0.549 45 Q N 4.945 124.592 119.800 -0.256 0.000 2.337 45 Q HA 0.479 4.819 4.340 0.001 0.000 0.260 45 Q C -1.197 174.759 176.000 -0.074 0.000 0.982 45 Q CA -0.377 55.334 55.803 -0.154 0.000 0.734 45 Q CB 2.482 31.159 28.738 -0.101 0.000 1.272 45 Q HN 0.587 nan 8.270 nan 0.000 0.461 46 I N 2.388 122.948 120.570 -0.017 0.000 2.382 46 I HA 0.206 4.377 4.170 0.001 0.000 0.285 46 I C -0.449 175.791 176.117 0.205 0.000 1.007 46 I CA -0.706 60.636 61.300 0.069 0.000 1.142 46 I CB 1.278 39.273 38.000 -0.009 0.000 1.289 46 I HN 0.426 nan 8.210 nan 0.000 0.453 47 N N 6.314 125.103 118.700 0.148 0.000 2.415 47 N HA 0.227 4.967 4.740 0.001 0.000 0.246 47 N C -0.962 174.683 175.510 0.225 0.000 1.078 47 N CA -0.175 52.971 53.050 0.160 0.000 0.942 47 N CB 0.953 39.494 38.487 0.090 0.000 1.140 47 N HN 0.233 nan 8.380 nan 0.000 0.501 48 V N 5.283 125.398 119.914 0.335 0.000 2.368 48 V HA 0.300 4.421 4.120 0.001 0.000 0.266 48 V C 0.153 176.409 176.094 0.271 0.000 1.045 48 V CA -0.586 61.925 62.300 0.351 0.000 0.899 48 V CB 0.118 32.261 31.823 0.532 0.000 1.006 48 V HN 0.487 nan 8.190 nan 0.000 0.470 49 I N 4.344 125.035 120.570 0.202 0.000 2.315 49 I HA 0.329 4.500 4.170 0.001 0.000 0.291 49 I C 0.052 176.261 176.117 0.153 0.000 1.006 49 I CA -0.052 61.345 61.300 0.161 0.000 1.265 49 I CB 1.206 39.282 38.000 0.125 0.000 1.387 49 I HN 0.444 nan 8.210 nan 0.000 0.475 50 D N 5.961 126.447 120.400 0.143 0.000 2.396 50 D HA 0.257 4.897 4.640 0.001 0.000 0.225 50 D C -0.604 175.760 176.300 0.106 0.000 1.121 50 D CA -0.175 53.902 54.000 0.129 0.000 0.853 50 D CB 0.479 41.353 40.800 0.124 0.000 1.043 50 D HN 0.302 nan 8.370 nan 0.000 0.500 51 N N 4.680 123.442 118.700 0.104 0.000 2.813 51 N HA 0.225 4.966 4.740 0.001 0.000 0.282 51 N C -1.005 174.558 175.510 0.088 0.000 1.748 51 N CA -0.253 52.850 53.050 0.089 0.000 0.860 51 N CB 0.671 39.210 38.487 0.086 0.000 1.204 51 N HN 0.406 nan 8.380 nan 0.000 0.490 52 L N 0.099 121.374 121.223 0.086 0.000 2.334 52 L HA 0.519 4.860 4.340 0.001 0.000 0.276 52 L C 1.479 178.392 176.870 0.071 0.000 1.014 52 L CA -0.378 54.514 54.840 0.086 0.000 0.815 52 L CB 2.083 44.200 42.059 0.097 0.000 1.268 52 L HN 0.199 nan 8.230 nan 0.000 0.428 53 T N -3.213 111.381 114.554 0.066 0.000 2.958 53 T HA 0.106 4.456 4.350 0.001 0.000 0.256 53 T C 0.632 175.363 174.700 0.052 0.000 0.983 53 T CA -0.212 61.920 62.100 0.055 0.000 0.924 53 T CB 0.106 69.004 68.868 0.050 0.000 1.136 53 T HN 0.331 nan 8.240 nan 0.000 0.506 54 N N 1.671 120.406 118.700 0.058 0.000 2.406 54 N HA 0.503 5.243 4.740 0.001 0.000 0.251 54 N C 1.085 176.629 175.510 0.056 0.000 1.069 54 N CA 0.266 53.348 53.050 0.053 0.000 0.947 54 N CB 1.499 40.020 38.487 0.055 0.000 1.111 54 N HN 0.406 nan 8.380 nan 0.000 0.497 55 A N 2.822 125.672 122.820 0.049 0.000 2.016 55 A HA -0.055 4.266 4.320 0.001 0.000 0.217 55 A C 1.806 179.419 177.584 0.049 0.000 1.162 55 A CA 1.214 53.284 52.037 0.055 0.000 0.662 55 A CB -0.237 18.792 19.000 0.048 0.000 0.812 55 A HN 0.662 nan 8.150 nan 0.000 0.450 56 T N 0.073 114.648 114.554 0.035 0.000 2.867 56 T HA -0.031 4.320 4.350 0.001 0.000 0.268 56 T C 1.412 176.126 174.700 0.024 0.000 1.057 56 T CA 1.438 63.551 62.100 0.022 0.000 1.136 56 T CB -0.243 68.633 68.868 0.012 0.000 0.874 56 T HN 0.463 nan 8.240 nan 0.000 0.466 57 M N 1.063 120.687 119.600 0.039 0.000 2.475 57 M HA 0.368 4.848 4.480 0.001 0.000 0.283 57 M C -0.768 175.573 176.300 0.068 0.000 1.165 57 M CA -0.086 55.241 55.300 0.046 0.000 0.976 57 M CB 0.128 32.761 32.600 0.054 0.000 1.428 57 M HN 0.092 nan 8.290 nan 0.000 0.495 58 L N 0.254 121.523 121.223 0.077 0.000 1.152 58 L HA -0.252 4.088 4.340 0.001 0.000 0.395 58 L C 0.517 177.455 176.870 0.113 0.000 1.003 58 L CA 0.083 54.987 54.840 0.107 0.000 1.222 58 L CB -0.487 41.645 42.059 0.122 0.000 0.742 58 L HN 0.386 nan 8.230 nan 0.000 0.402 59 K N 0.057 120.529 120.400 0.119 0.000 2.243 59 K HA 0.027 4.348 4.320 0.001 0.000 0.201 59 K C 0.857 177.526 176.600 0.115 0.000 1.051 59 K CA 1.291 57.641 56.287 0.104 0.000 0.970 59 K CB 0.146 32.695 32.500 0.083 0.000 0.755 59 K HN 0.783 nan 8.250 nan 0.000 0.465 60 T N -0.819 113.824 114.554 0.148 0.000 2.856 60 T HA 0.276 4.627 4.350 0.001 0.000 0.292 60 T C 0.017 174.790 174.700 0.121 0.000 0.980 60 T CA -0.641 61.551 62.100 0.154 0.000 1.091 60 T CB 1.929 70.955 68.868 0.262 0.000 0.936 60 T HN -0.143 nan 8.240 nan 0.000 0.503 61 T N 0.554 115.158 114.554 0.083 0.000 2.901 61 T HA 0.710 5.061 4.350 0.001 0.000 0.293 61 T C -1.268 173.452 174.700 0.032 0.000 1.084 61 T CA -0.511 61.635 62.100 0.077 0.000 1.008 61 T CB 2.075 71.012 68.868 0.115 0.000 1.170 61 T HN 1.003 nan 8.240 nan 0.000 0.509 62 T N 2.286 116.863 114.554 0.038 0.000 3.097 62 T HA 0.599 4.950 4.350 0.001 0.000 0.332 62 T C -1.648 173.036 174.700 -0.026 0.000 1.269 62 T CA -0.518 61.605 62.100 0.038 0.000 1.076 62 T CB 0.535 69.376 68.868 -0.046 0.000 1.209 62 T HN 0.524 nan 8.240 nan 0.000 0.474 63 I N 4.276 124.746 120.570 -0.166 0.000 2.404 63 I HA 0.439 4.609 4.170 0.001 0.000 0.293 63 I C -0.121 175.370 176.117 -1.042 0.000 0.992 63 I CA -0.921 60.035 61.300 -0.575 0.000 1.149 63 I CB 1.645 39.211 38.000 -0.724 0.000 1.315 63 I HN 0.700 nan 8.210 nan 0.000 0.446 64 H N 5.231 123.666 119.070 -1.059 0.000 2.483 64 H HA 0.423 4.980 4.556 0.001 0.000 0.338 64 H C -1.719 172.817 175.328 -1.319 0.000 1.152 64 H CA -0.890 54.512 56.048 -1.076 0.000 1.264 64 H CB 0.944 30.371 29.762 -0.557 0.000 1.510 64 H HN 0.398 nan 8.280 nan 0.000 0.530 65 W N 4.262 124.923 121.300 -1.066 0.000 2.363 65 W HA 0.226 4.886 4.660 0.001 0.000 0.314 65 W C -0.456 175.407 176.519 -1.092 0.000 0.994 65 W CA -0.975 55.841 57.345 -0.881 0.000 1.449 65 W CB 0.054 29.051 29.460 -0.771 0.000 1.248 65 W HN 0.666 nan 8.180 nan 0.000 0.409 66 H N 1.523 120.048 119.070 -0.909 0.000 2.929 66 H HA 0.385 4.941 4.556 0.001 0.000 0.317 66 H C 1.425 176.594 175.328 -0.266 0.000 1.031 66 H CA 1.992 57.618 56.048 -0.704 0.000 1.466 66 H CB 0.740 30.047 29.762 -0.759 0.000 1.482 66 H HN 0.791 nan 8.280 nan 0.000 0.561 67 G N 3.977 112.610 108.800 -0.278 0.000 2.217 67 G HA2 -0.258 3.703 3.960 0.001 0.000 0.246 67 G HA3 -0.258 3.703 3.960 0.001 0.000 0.246 67 G C -0.309 174.365 174.900 -0.377 0.000 0.990 67 G CA 0.057 45.113 45.100 -0.073 0.000 0.627 67 G HN 0.535 nan 8.290 nan 0.000 0.522 68 L N 1.187 122.083 121.223 -0.546 0.000 2.360 68 L HA 0.503 4.843 4.340 0.001 0.000 0.276 68 L C 1.723 178.365 176.870 -0.379 0.000 1.121 68 L CA -0.210 54.327 54.840 -0.505 0.000 0.845 68 L CB -0.096 41.655 42.059 -0.514 0.000 1.143 68 L HN 0.113 nan 8.230 nan 0.000 0.452 69 F N 0.986 120.734 119.950 -0.336 0.000 2.234 69 F HA -0.128 4.400 4.527 0.001 0.000 0.299 69 F C 1.187 176.667 175.800 -0.533 0.000 1.087 69 F CA 0.394 58.110 58.000 -0.473 0.000 1.340 69 F CB 0.089 38.899 39.000 -0.316 0.000 1.031 69 F HN 0.502 nan 8.300 nan 0.000 0.500 70 Q N 0.230 119.969 119.800 -0.102 0.000 2.460 70 Q HA -0.258 4.082 4.340 0.001 0.000 0.311 70 Q C -0.791 175.236 176.000 0.044 0.000 1.396 70 Q CA 0.549 56.322 55.803 -0.050 0.000 0.838 70 Q CB -2.474 26.262 28.738 -0.004 0.000 1.140 70 Q HN 0.562 nan 8.270 nan 0.000 0.415 71 H N -0.548 118.596 119.070 0.122 0.000 2.848 71 H HA 0.266 4.822 4.556 0.001 0.000 0.341 71 H C 1.602 177.004 175.328 0.123 0.000 1.060 71 H CA 1.614 57.745 56.048 0.138 0.000 1.444 71 H CB 0.740 30.546 29.762 0.073 0.000 1.446 71 H HN 0.522 nan 8.280 nan 0.000 0.583 72 G N 2.489 111.437 108.800 0.247 0.000 2.196 72 G HA2 -0.361 3.600 3.960 0.001 0.000 0.268 72 G HA3 -0.361 3.600 3.960 0.001 0.000 0.268 72 G C 0.787 175.797 174.900 0.183 0.000 0.975 72 G CA 1.051 46.265 45.100 0.191 0.000 0.648 72 G HN 0.855 nan 8.290 nan 0.000 0.538 73 T N -2.733 111.859 114.554 0.064 0.000 3.487 73 T HA 0.375 4.725 4.350 0.001 0.000 0.287 73 T C 1.053 175.449 174.700 -0.506 0.000 1.004 73 T CA 0.529 62.473 62.100 -0.259 0.000 0.977 73 T CB 0.316 69.035 68.868 -0.249 0.000 1.180 73 T HN 0.174 nan 8.240 nan 0.000 0.490 74 N N 1.819 120.384 118.700 -0.225 0.000 2.205 74 N HA -0.118 4.623 4.740 0.001 0.000 0.186 74 N C 1.773 177.094 175.510 -0.315 0.000 1.015 74 N CA 1.907 54.787 53.050 -0.283 0.000 0.862 74 N CB -0.111 38.137 38.487 -0.399 0.000 0.986 74 N HN 0.828 nan 8.380 nan 0.000 0.429 75 W N 0.503 121.624 121.300 -0.299 0.000 2.350 75 W HA 0.003 4.664 4.660 0.001 0.000 0.289 75 W C 1.328 177.894 176.519 0.078 0.000 1.215 75 W CA 0.771 57.860 57.345 -0.425 0.000 1.236 75 W CB -1.016 27.783 29.460 -1.102 0.000 1.130 75 W HN 0.034 nan 8.180 nan 0.000 0.541 76 A N 0.771 123.171 122.820 -0.701 0.000 2.337 76 A HA 0.037 4.357 4.320 0.001 0.000 0.227 76 A C 1.434 179.103 177.584 0.142 0.000 1.259 76 A CA 0.976 52.855 52.037 -0.264 0.000 0.870 76 A CB -0.811 17.578 19.000 -1.018 0.000 0.927 76 A HN 0.224 nan 8.150 nan 0.000 0.497 77 D N -1.043 119.394 120.400 0.061 0.000 2.137 77 D HA 0.213 4.853 4.640 0.001 0.000 0.202 77 D C 1.514 177.902 176.300 0.147 0.000 0.970 77 D CA 2.322 56.409 54.000 0.145 0.000 0.837 77 D CB 0.136 41.067 40.800 0.219 0.000 0.981 77 D HN 0.434 nan 8.370 nan 0.000 0.475 78 G N -1.194 107.639 108.800 0.055 0.000 3.426 78 G HA2 -0.158 3.803 3.960 0.001 0.000 0.196 78 G HA3 -0.158 3.803 3.960 0.001 0.000 0.196 78 G C -2.019 172.759 174.900 -0.204 0.000 1.763 78 G CA -0.278 44.775 45.100 -0.079 0.000 1.210 78 G HN 0.214 nan 8.290 nan 0.000 0.472 79 P HA 0.337 nan 4.420 nan 0.000 0.257 79 P C 0.264 177.378 177.300 -0.310 0.000 1.144 79 P CA 1.235 63.953 63.100 -0.637 0.000 0.761 79 P CB 0.434 31.655 31.700 -0.798 0.000 0.734 80 A N 4.457 127.169 122.820 -0.180 0.000 2.450 80 A HA 0.401 4.721 4.320 0.001 0.000 0.255 80 A C 0.480 177.853 177.584 -0.351 0.000 1.096 80 A CA -0.155 51.615 52.037 -0.444 0.000 0.778 80 A CB -0.946 17.737 19.000 -0.529 0.000 1.031 80 A HN 0.570 nan 8.150 nan 0.000 0.494 81 F N -0.164 119.683 119.950 -0.172 0.000 2.748 81 F HA -0.260 4.268 4.527 0.001 0.000 0.370 81 F C 1.133 176.806 175.800 -0.210 0.000 0.620 81 F CA 1.042 58.947 58.000 -0.158 0.000 1.233 81 F CB -1.939 36.999 39.000 -0.103 0.000 1.708 81 F HN 0.292 nan 8.300 nan 0.000 0.298 82 V N -1.387 118.403 119.914 -0.206 0.000 2.911 82 V HA 0.082 4.203 4.120 0.001 0.000 0.237 82 V C 1.384 177.341 176.094 -0.228 0.000 1.156 82 V CA 1.942 64.037 62.300 -0.342 0.000 1.180 82 V CB 0.124 31.473 31.823 -0.790 0.000 0.932 82 V HN 0.384 nan 8.190 nan 0.000 0.483 83 N N -0.354 118.234 118.700 -0.188 0.000 2.317 83 N HA 0.175 4.915 4.740 0.001 0.000 0.199 83 N C 0.286 175.950 175.510 0.255 0.000 1.145 83 N CA -0.066 52.968 53.050 -0.025 0.000 0.882 83 N CB 0.718 39.143 38.487 -0.103 0.000 1.113 83 N HN 0.638 nan 8.380 nan 0.000 0.486 84 Q N -0.844 118.983 119.800 0.045 0.000 2.575 84 Q HA 0.461 4.801 4.340 0.001 0.000 0.290 84 Q C -1.553 174.183 176.000 -0.440 0.000 0.963 84 Q CA -0.907 54.860 55.803 -0.059 0.000 0.783 84 Q CB 0.995 29.759 28.738 0.043 0.000 1.467 84 Q HN -0.090 nan 8.270 nan 0.000 0.402 85 c N 1.934 120.171 118.600 -0.606 0.000 2.539 85 c HA 0.539 5.110 4.570 0.001 0.000 0.392 85 c C -2.043 171.571 174.090 -0.793 0.000 1.269 85 c CA -0.612 55.243 56.329 -0.791 0.000 2.250 85 c CB 0.022 42.167 42.510 -0.608 0.000 2.584 85 c HN 0.632 nan 8.230 nan 0.000 0.589 86 P HA 0.272 nan 4.420 nan 0.000 0.274 86 P C -0.701 176.400 177.300 -0.332 0.000 1.237 86 P CA -0.058 62.698 63.100 -0.572 0.000 0.793 86 P CB 0.287 31.702 31.700 -0.475 0.000 0.977 87 I N 0.638 121.105 120.570 -0.171 0.000 2.529 87 I HA 0.307 4.478 4.170 0.001 0.000 0.284 87 I C 0.922 177.063 176.117 0.039 0.000 1.082 87 I CA -0.560 60.698 61.300 -0.071 0.000 1.406 87 I CB 0.534 38.536 38.000 0.004 0.000 1.405 87 I HN 0.295 nan 8.210 nan 0.000 0.548 88 A N 4.670 127.524 122.820 0.056 0.000 2.351 88 A HA 0.319 4.639 4.320 0.001 0.000 0.257 88 A C 0.301 177.925 177.584 0.066 0.000 1.087 88 A CA -0.263 51.815 52.037 0.068 0.000 0.798 88 A CB 0.611 19.636 19.000 0.042 0.000 1.033 88 A HN 0.686 nan 8.150 nan 0.000 0.488 89 S N 0.052 115.787 115.700 0.059 0.000 2.533 89 S HA 0.449 4.919 4.470 0.001 0.000 0.282 89 S C 1.323 175.955 174.600 0.053 0.000 1.304 89 S CA 1.006 59.243 58.200 0.062 0.000 1.063 89 S CB 0.070 63.304 63.200 0.057 0.000 0.881 89 S HN 2.321 nan 8.310 nan 0.000 0.493 90 G N 4.187 113.024 108.800 0.062 0.000 2.176 90 G HA2 -0.184 3.776 3.960 0.001 0.000 0.232 90 G HA3 -0.184 3.776 3.960 0.001 0.000 0.232 90 G C -0.093 174.843 174.900 0.060 0.000 0.986 90 G CA -0.196 44.937 45.100 0.055 0.000 0.643 90 G HN 0.647 nan 8.290 nan 0.000 0.522 91 N N 0.029 118.773 118.700 0.072 0.000 2.457 91 N HA 0.791 5.531 4.740 0.001 0.000 0.290 91 N C -0.182 175.397 175.510 0.116 0.000 1.232 91 N CA 0.255 53.355 53.050 0.083 0.000 0.852 91 N CB 1.828 40.359 38.487 0.074 0.000 1.313 91 N HN 0.708 nan 8.380 nan 0.000 0.522 92 S N -0.783 114.998 115.700 0.135 0.000 2.569 92 S HA 0.767 5.237 4.470 0.001 0.000 0.280 92 S C -1.382 173.366 174.600 0.247 0.000 1.111 92 S CA -0.798 57.508 58.200 0.177 0.000 0.887 92 S CB 1.529 64.810 63.200 0.134 0.000 1.095 92 S HN 0.437 nan 8.310 nan 0.000 0.476 93 F N 1.820 121.823 119.950 0.089 0.000 2.574 93 F HA 0.693 5.221 4.527 0.001 0.000 0.313 93 F C -1.622 174.228 175.800 0.083 0.000 1.130 93 F CA -1.007 57.024 58.000 0.052 0.000 0.936 93 F CB 1.684 40.687 39.000 0.004 0.000 1.219 93 F HN 0.779 nan 8.300 nan 0.000 0.445 94 L N 6.700 127.512 121.223 -0.685 0.000 2.289 94 L HA 0.495 4.836 4.340 0.001 0.000 0.285 94 L C -1.789 174.816 176.870 -0.442 0.000 1.049 94 L CA -0.262 54.366 54.840 -0.354 0.000 0.804 94 L CB 0.700 42.636 42.059 -0.205 0.000 1.195 94 L HN 0.585 nan 8.230 nan 0.000 0.428 95 Y N 3.544 123.904 120.300 0.100 0.000 2.434 95 Y HA 0.357 4.908 4.550 0.001 0.000 0.341 95 Y C -0.347 175.687 175.900 0.223 0.000 0.965 95 Y CA -0.439 57.861 58.100 0.333 0.000 1.205 95 Y CB 1.007 39.786 38.460 0.532 0.000 1.121 95 Y HN 0.520 nan 8.280 nan 0.000 0.507 96 D N 5.733 126.421 120.400 0.480 0.000 2.461 96 D HA 0.297 4.938 4.640 0.001 0.000 0.240 96 D C -1.443 175.024 176.300 0.278 0.000 1.094 96 D CA -0.341 53.809 54.000 0.250 0.000 0.868 96 D CB 0.071 41.041 40.800 0.284 0.000 1.062 96 D HN 0.298 nan 8.370 nan 0.000 0.530 97 F N 0.081 120.037 119.950 0.010 0.000 2.608 97 F HA 0.511 5.038 4.527 0.001 0.000 0.309 97 F C -0.308 175.513 175.800 0.035 0.000 1.103 97 F CA -1.138 56.847 58.000 -0.025 0.000 0.954 97 F CB 1.407 40.304 39.000 -0.171 0.000 1.267 97 F HN -0.036 nan 8.300 nan 0.000 0.444 98 T N 1.402 116.044 114.554 0.146 0.000 2.922 98 T HA 0.656 5.007 4.350 0.001 0.000 0.285 98 T C -1.077 173.749 174.700 0.210 0.000 1.005 98 T CA -0.440 61.719 62.100 0.098 0.000 1.061 98 T CB 1.247 70.144 68.868 0.048 0.000 1.007 98 T HN 0.632 nan 8.240 nan 0.000 0.502 99 V N 7.725 127.754 119.914 0.193 0.000 2.320 99 V HA 0.332 4.452 4.120 0.001 0.000 0.268 99 V C -1.740 174.427 176.094 0.122 0.000 1.021 99 V CA -1.177 61.241 62.300 0.196 0.000 0.813 99 V CB 1.151 33.139 31.823 0.275 0.000 1.054 99 V HN 0.766 nan 8.190 nan 0.000 0.444 100 P HA 0.186 nan 4.420 nan 0.000 0.238 100 P C 0.336 177.646 177.300 0.016 0.000 1.183 100 P CA 0.519 63.639 63.100 0.033 0.000 0.813 100 P CB 0.816 32.520 31.700 0.006 0.000 0.944 101 D N -0.658 119.744 120.400 0.002 0.000 2.501 101 D HA 0.172 4.813 4.640 0.001 0.000 0.224 101 D C 0.247 176.565 176.300 0.031 0.000 1.202 101 D CA 0.249 54.229 54.000 -0.034 0.000 0.829 101 D CB 0.773 41.482 40.800 -0.152 0.000 1.023 101 D HN 0.253 nan 8.370 nan 0.000 0.499 102 Q N 0.269 120.139 119.800 0.117 0.000 2.331 102 Q HA 0.739 5.080 4.340 0.001 0.000 0.272 102 Q C -1.326 174.838 176.000 0.274 0.000 1.062 102 Q CA -0.801 55.143 55.803 0.235 0.000 0.806 102 Q CB 3.198 32.107 28.738 0.286 0.000 1.312 102 Q HN 0.038 nan 8.270 nan 0.000 0.431 103 A N 1.501 124.500 122.820 0.297 0.000 2.476 103 A HA 0.891 5.212 4.320 0.001 0.000 0.280 103 A C -0.358 177.327 177.584 0.168 0.000 1.081 103 A CA 0.222 52.403 52.037 0.239 0.000 0.753 103 A CB 1.109 20.212 19.000 0.170 0.000 1.248 103 A HN 0.864 nan 8.150 nan 0.000 0.424 104 G N 0.247 109.104 108.800 0.094 0.000 2.398 104 G HA2 0.481 4.441 3.960 0.001 0.000 0.251 104 G HA3 0.481 4.441 3.960 0.001 0.000 0.251 104 G C -0.777 173.846 174.900 -0.461 0.000 1.277 104 G CA 0.149 45.144 45.100 -0.175 0.000 0.927 104 G HN 1.050 nan 8.290 nan 0.000 0.477 105 T N 1.115 115.229 114.554 -0.733 0.000 2.779 105 T HA 0.746 5.096 4.350 0.001 0.000 0.280 105 T C -1.061 173.112 174.700 -0.879 0.000 0.987 105 T CA 0.063 61.801 62.100 -0.602 0.000 0.966 105 T CB 0.884 69.543 68.868 -0.347 0.000 0.933 105 T HN 0.424 nan 8.240 nan 0.000 0.442 106 F N 1.187 121.148 119.950 0.019 0.000 2.706 106 F HA 0.824 5.352 4.527 0.001 0.000 0.328 106 F C -0.866 175.059 175.800 0.209 0.000 1.123 106 F CA -1.271 56.788 58.000 0.098 0.000 0.978 106 F CB 1.552 40.576 39.000 0.041 0.000 1.404 106 F HN 0.626 nan 8.300 nan 0.000 0.497 107 W N 0.873 122.245 121.300 0.121 0.000 3.075 107 W HA 0.639 5.300 4.660 0.001 0.000 0.334 107 W C -2.463 174.098 176.519 0.070 0.000 1.243 107 W CA -1.890 55.459 57.345 0.007 0.000 1.170 107 W CB 0.427 29.777 29.460 -0.184 0.000 1.452 107 W HN 0.620 nan 8.180 nan 0.000 0.572 108 Y N 0.787 121.053 120.300 -0.057 0.000 2.376 108 Y HA 0.730 5.280 4.550 0.001 0.000 0.340 108 Y C -0.819 174.862 175.900 -0.364 0.000 0.965 108 Y CA -1.233 56.638 58.100 -0.381 0.000 1.078 108 Y CB 1.269 39.638 38.460 -0.151 0.000 1.193 108 Y HN 0.628 nan 8.280 nan 0.000 0.452 109 H N -0.372 118.389 119.070 -0.516 0.000 3.012 109 H HA 0.583 5.139 4.556 0.001 0.000 0.367 109 H C -1.040 174.177 175.328 -0.186 0.000 1.211 109 H CA -1.258 54.555 56.048 -0.392 0.000 1.139 109 H CB 1.382 30.627 29.762 -0.861 0.000 1.838 109 H HN 0.712 nan 8.280 nan 0.000 0.550 110 S N 0.448 116.223 115.700 0.124 0.000 2.533 110 S HA -0.023 4.448 4.470 0.001 0.000 0.282 110 S C 0.167 174.914 174.600 0.244 0.000 1.304 110 S CA -0.339 57.944 58.200 0.137 0.000 1.063 110 S CB 0.022 63.338 63.200 0.193 0.000 0.881 110 S HN 0.853 nan 8.310 nan 0.000 0.493 111 H N 4.086 123.193 119.070 0.061 0.000 2.586 111 H HA 0.280 4.837 4.556 0.001 0.000 0.273 111 H C 0.211 175.576 175.328 0.061 0.000 0.997 111 H CA -0.108 55.996 56.048 0.094 0.000 1.177 111 H CB 0.265 30.032 29.762 0.009 0.000 1.471 111 H HN 0.532 nan 8.280 nan 0.000 0.538 112 L N 1.628 122.931 121.223 0.133 0.000 2.342 112 L HA 0.065 4.405 4.340 0.001 0.000 0.285 112 L C 0.672 177.593 176.870 0.085 0.000 1.095 112 L CA 0.470 55.370 54.840 0.099 0.000 0.843 112 L CB 0.064 42.169 42.059 0.075 0.000 1.201 112 L HN 0.276 nan 8.230 nan 0.000 0.445 113 S N 2.853 118.601 115.700 0.081 0.000 3.736 113 S HA -0.317 4.154 4.470 0.001 0.000 0.627 113 S C 1.011 175.563 174.600 -0.081 0.000 2.426 113 S CA 1.702 59.910 58.200 0.013 0.000 4.022 113 S CB -1.039 62.182 63.200 0.034 0.000 0.237 113 S HN 0.945 nan 8.310 nan 0.000 0.967 114 T N 0.327 114.809 114.554 -0.119 0.000 3.235 114 T HA 0.307 4.657 4.350 0.001 0.000 0.251 114 T C 1.401 175.978 174.700 -0.204 0.000 1.060 114 T CA 1.017 62.960 62.100 -0.262 0.000 0.949 114 T CB 0.126 68.818 68.868 -0.292 0.000 1.020 114 T HN 0.621 nan 8.240 nan 0.000 0.564 115 Q N 1.045 120.815 119.800 -0.049 0.000 2.152 115 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 115 Q C 1.923 177.982 176.000 0.099 0.000 0.985 115 Q CA 1.952 57.780 55.803 0.042 0.000 0.863 115 Q CB -0.411 28.389 28.738 0.104 0.000 0.904 115 Q HN 0.927 nan 8.270 nan 0.000 0.422 116 Y N -1.631 118.710 120.300 0.067 0.000 2.421 116 Y HA -0.106 4.445 4.550 0.001 0.000 0.292 116 Y C 1.882 177.900 175.900 0.196 0.000 1.136 116 Y CA 0.680 58.875 58.100 0.158 0.000 1.255 116 Y CB -0.936 37.640 38.460 0.192 0.000 0.991 116 Y HN 0.131 nan 8.280 nan 0.000 0.552 117 c N 0.960 119.422 118.600 -0.231 0.000 2.446 117 c HA -0.113 4.457 4.570 0.001 0.000 0.279 117 c C 2.098 176.238 174.090 0.083 0.000 1.366 117 c CA 1.009 57.274 56.329 -0.107 0.000 1.763 117 c CB -0.871 41.424 42.510 -0.359 0.000 1.929 117 c HN 0.574 nan 8.230 nan 0.000 0.509 118 D N -0.300 120.131 120.400 0.052 0.000 2.348 118 D HA 0.103 4.743 4.640 0.001 0.000 0.216 118 D C 1.860 178.300 176.300 0.232 0.000 0.970 118 D CA 1.555 55.594 54.000 0.064 0.000 0.889 118 D CB -0.023 40.807 40.800 0.049 0.000 0.912 118 D HN 0.658 nan 8.370 nan 0.000 0.524 119 G N -0.255 108.784 108.800 0.399 0.000 3.110 119 G HA2 -0.194 3.767 3.960 0.001 0.000 0.205 119 G HA3 -0.194 3.767 3.960 0.001 0.000 0.205 119 G C 0.136 175.423 174.900 0.645 0.000 1.019 119 G CA -0.309 45.154 45.100 0.605 0.000 0.826 119 G HN 0.196 nan 8.290 nan 0.000 0.481 120 L N 3.641 125.130 121.223 0.442 0.000 2.597 120 L HA 0.527 4.867 4.340 0.001 0.000 0.261 120 L C 0.739 177.818 176.870 0.349 0.000 1.389 120 L CA 0.039 55.100 54.840 0.369 0.000 1.203 120 L CB -1.711 40.524 42.059 0.293 0.000 1.401 120 L HN 0.467 nan 8.230 nan 0.000 0.443 121 R N 1.715 122.388 120.500 0.287 0.000 2.626 121 R HA 0.929 5.270 4.340 0.001 0.000 0.274 121 R C -0.530 175.642 176.300 -0.213 0.000 1.031 121 R CA -0.891 55.275 56.100 0.111 0.000 0.898 121 R CB 1.507 32.031 30.300 0.374 0.000 1.222 121 R HN 0.319 nan 8.270 nan 0.000 0.455 122 G N 1.595 110.031 108.800 -0.606 0.000 2.667 122 G HA2 0.524 4.485 3.960 0.001 0.000 0.294 122 G HA3 0.524 4.485 3.960 0.001 0.000 0.294 122 G C -3.178 171.362 174.900 -0.599 0.000 1.467 122 G CA -1.315 43.365 45.100 -0.700 0.000 0.852 122 G HN 0.378 nan 8.290 nan 0.000 0.521 123 P HA 0.515 nan 4.420 nan 0.000 0.277 123 P C -0.908 176.569 177.300 0.294 0.000 1.240 123 P CA -0.517 62.636 63.100 0.088 0.000 0.798 123 P CB 2.281 33.994 31.700 0.023 0.000 0.979 124 L N 2.402 123.807 121.223 0.304 0.000 2.439 124 L HA 0.457 4.798 4.340 0.001 0.000 0.270 124 L C -1.312 175.682 176.870 0.206 0.000 0.972 124 L CA -0.690 54.332 54.840 0.303 0.000 0.836 124 L CB 1.886 44.152 42.059 0.346 0.000 1.255 124 L HN 0.041 nan 8.230 nan 0.000 0.404 125 V N 5.529 125.503 119.914 0.099 0.000 2.483 125 V HA 0.434 4.554 4.120 0.001 0.000 0.297 125 V C -0.353 175.679 176.094 -0.104 0.000 1.027 125 V CA -0.659 61.596 62.300 -0.075 0.000 0.855 125 V CB 2.009 33.639 31.823 -0.322 0.000 0.995 125 V HN 0.433 nan 8.190 nan 0.000 0.424 126 V N 5.800 125.744 119.914 0.050 0.000 2.407 126 V HA 0.433 4.553 4.120 0.001 0.000 0.278 126 V C -0.702 175.374 176.094 -0.031 0.000 1.037 126 V CA -0.503 61.880 62.300 0.139 0.000 0.900 126 V CB 1.219 33.256 31.823 0.358 0.000 0.983 126 V HN 0.710 nan 8.190 nan 0.000 0.459 127 Y N 2.019 122.422 120.300 0.171 0.000 2.361 127 Y HA 0.444 4.994 4.550 0.001 0.000 0.332 127 Y C 0.302 176.268 175.900 0.110 0.000 1.101 127 Y CA -1.013 57.161 58.100 0.123 0.000 1.137 127 Y CB 1.172 39.688 38.460 0.093 0.000 1.207 127 Y HN 0.543 nan 8.280 nan 0.000 0.463 128 D N 3.761 124.328 120.400 0.278 0.000 2.412 128 D HA 0.289 4.929 4.640 0.001 0.000 0.224 128 D C -2.077 174.304 176.300 0.135 0.000 1.093 128 D CA -2.538 51.568 54.000 0.176 0.000 0.850 128 D CB 1.530 42.419 40.800 0.150 0.000 1.046 128 D HN 0.220 nan 8.370 nan 0.000 0.507 129 P HA -0.004 nan 4.420 nan 0.000 0.226 129 P C -0.374 176.940 177.300 0.024 0.000 1.146 129 P CA 0.627 63.754 63.100 0.045 0.000 0.773 129 P CB 0.405 32.122 31.700 0.028 0.000 0.772 130 S N -0.387 115.332 115.700 0.030 0.000 2.128 130 S HA 0.107 4.577 4.470 0.001 0.000 0.157 130 S C -0.534 174.074 174.600 0.013 0.000 1.650 130 S CA -0.615 57.590 58.200 0.007 0.000 1.269 130 S CB -0.192 63.006 63.200 -0.004 0.000 1.227 130 S HN 0.042 nan 8.310 nan 0.000 0.405 131 D N 2.758 123.179 120.400 0.035 0.000 2.339 131 D HA 0.174 4.815 4.640 0.001 0.000 0.256 131 D C -1.805 174.490 176.300 -0.009 0.000 1.214 131 D CA -1.746 52.292 54.000 0.064 0.000 0.877 131 D CB 1.415 42.315 40.800 0.167 0.000 1.111 131 D HN 0.076 nan 8.370 nan 0.000 0.478 132 P HA -0.115 nan 4.420 nan 0.000 0.231 132 P C -0.172 176.923 177.300 -0.342 0.000 1.154 132 P CA 0.979 63.917 63.100 -0.270 0.000 0.762 132 P CB -0.009 31.427 31.700 -0.440 0.000 0.790 133 Y N -2.992 117.333 120.300 0.043 0.000 2.588 133 Y HA 0.455 5.005 4.550 0.001 0.000 0.247 133 Y C 1.953 177.786 175.900 -0.113 0.000 1.157 133 Y CA -0.653 57.477 58.100 0.050 0.000 1.215 133 Y CB -0.637 37.927 38.460 0.174 0.000 1.245 133 Y HN -0.136 nan 8.280 nan 0.000 0.534 134 A N -0.046 122.705 122.820 -0.115 0.000 2.172 134 A HA -0.095 4.226 4.320 0.001 0.000 0.216 134 A C 1.860 179.183 177.584 -0.434 0.000 1.154 134 A CA 1.500 53.242 52.037 -0.491 0.000 0.701 134 A CB -0.560 18.273 19.000 -0.278 0.000 0.789 134 A HN 0.275 nan 8.150 nan 0.000 0.465 135 S N -1.771 113.809 115.700 -0.201 0.000 2.582 135 S HA 0.469 4.939 4.470 0.001 0.000 0.249 135 S C 0.739 175.300 174.600 -0.065 0.000 1.072 135 S CA -0.112 58.011 58.200 -0.128 0.000 1.115 135 S CB -0.220 62.941 63.200 -0.065 0.000 0.790 135 S HN 0.465 nan 8.310 nan 0.000 0.459 136 M N 0.008 119.547 119.600 -0.102 0.000 2.198 136 M HA 0.319 4.799 4.480 0.001 0.000 0.326 136 M C -0.717 175.625 176.300 0.070 0.000 0.924 136 M CA -0.138 55.186 55.300 0.040 0.000 1.118 136 M CB 1.080 33.778 32.600 0.163 0.000 1.947 136 M HN 0.634 nan 8.290 nan 0.000 0.662 137 Y N -3.058 117.226 120.300 -0.028 0.000 2.615 137 Y HA 0.557 5.108 4.550 0.001 0.000 0.341 137 Y C -0.334 175.487 175.900 -0.132 0.000 1.089 137 Y CA -1.217 56.827 58.100 -0.094 0.000 1.049 137 Y CB 0.556 38.944 38.460 -0.120 0.000 1.296 137 Y HN -0.149 nan 8.280 nan 0.000 0.470 138 D N 0.456 120.860 120.400 0.007 0.000 2.514 138 D HA 0.168 4.808 4.640 0.001 0.000 0.249 138 D C -0.466 175.766 176.300 -0.113 0.000 1.036 138 D CA 0.779 54.710 54.000 -0.114 0.000 0.911 138 D CB 1.392 42.076 40.800 -0.193 0.000 1.145 138 D HN 0.274 nan 8.370 nan 0.000 0.495 139 V N 1.589 121.367 119.914 -0.227 0.000 2.495 139 V HA 0.395 4.515 4.120 0.001 0.000 0.298 139 V C -1.040 174.946 176.094 -0.179 0.000 1.031 139 V CA -0.658 61.489 62.300 -0.255 0.000 0.871 139 V CB 2.277 33.806 31.823 -0.490 0.000 0.988 139 V HN -0.052 nan 8.190 nan 0.000 0.432 140 D N 3.409 123.761 120.400 -0.080 0.000 2.478 140 D HA 0.537 5.178 4.640 0.001 0.000 0.240 140 D C -0.983 175.308 176.300 -0.016 0.000 1.364 140 D CA -0.222 53.722 54.000 -0.093 0.000 0.987 140 D CB 1.715 42.486 40.800 -0.048 0.000 1.328 140 D HN 0.731 nan 8.370 nan 0.000 0.584 141 D N 0.921 121.341 120.400 0.033 0.000 3.650 141 D HA 0.198 4.839 4.640 0.001 0.000 0.341 141 D C 0.223 176.601 176.300 0.130 0.000 1.479 141 D CA -0.382 53.665 54.000 0.077 0.000 0.963 141 D CB -0.013 40.793 40.800 0.011 0.000 1.449 141 D HN -0.048 nan 8.370 nan 0.000 0.601 142 D N -0.836 119.632 120.400 0.112 0.000 2.219 142 D HA 0.001 4.642 4.640 0.001 0.000 0.205 142 D C 1.291 177.643 176.300 0.088 0.000 0.970 142 D CA 2.050 56.115 54.000 0.108 0.000 0.851 142 D CB -0.373 40.483 40.800 0.094 0.000 0.943 142 D HN 0.544 nan 8.370 nan 0.000 0.488 143 T N -2.618 111.987 114.554 0.085 0.000 3.244 143 T HA 0.119 4.470 4.350 0.001 0.000 0.254 143 T C 1.127 175.912 174.700 0.141 0.000 1.024 143 T CA 0.240 62.396 62.100 0.094 0.000 0.920 143 T CB -0.150 68.769 68.868 0.084 0.000 1.042 143 T HN 0.086 nan 8.240 nan 0.000 0.572 144 T N -2.012 112.617 114.554 0.125 0.000 3.043 144 T HA 0.332 4.682 4.350 0.001 0.000 0.272 144 T C 0.289 175.097 174.700 0.181 0.000 0.990 144 T CA -0.268 61.932 62.100 0.166 0.000 0.897 144 T CB -0.020 68.796 68.868 -0.088 0.000 1.111 144 T HN 0.183 nan 8.240 nan 0.000 0.529 145 V N 3.284 123.256 119.914 0.097 0.000 2.387 145 V HA 0.377 4.497 4.120 0.001 0.000 0.260 145 V C 0.060 176.164 176.094 0.015 0.000 1.054 145 V CA -0.583 61.739 62.300 0.037 0.000 0.967 145 V CB -0.020 31.812 31.823 0.014 0.000 1.036 145 V HN 0.489 nan 8.190 nan 0.000 0.481 146 I N 5.380 125.941 120.570 -0.015 0.000 2.291 146 I HA 0.232 4.403 4.170 0.001 0.000 0.290 146 I C 0.739 176.781 176.117 -0.125 0.000 1.050 146 I CA -0.052 61.208 61.300 -0.067 0.000 1.245 146 I CB 1.098 39.042 38.000 -0.094 0.000 1.405 146 I HN 0.640 nan 8.210 nan 0.000 0.478 147 T N 5.644 120.128 114.554 -0.116 0.000 2.733 147 T HA 0.548 4.899 4.350 0.001 0.000 0.294 147 T C -0.309 174.312 174.700 -0.131 0.000 0.956 147 T CA -0.727 61.278 62.100 -0.158 0.000 0.987 147 T CB 0.539 69.302 68.868 -0.175 0.000 0.920 147 T HN 0.314 nan 8.240 nan 0.000 0.470 148 L N 3.480 124.629 121.223 -0.123 0.000 2.265 148 L HA 0.558 4.899 4.340 0.001 0.000 0.288 148 L C 0.166 177.081 176.870 0.076 0.000 1.058 148 L CA -0.595 54.236 54.840 -0.016 0.000 0.809 148 L CB 1.059 43.187 42.059 0.115 0.000 1.179 148 L HN 0.712 nan 8.230 nan 0.000 0.429 149 S N 1.131 116.903 115.700 0.119 0.000 2.547 149 S HA 0.326 4.796 4.470 0.001 0.000 0.281 149 S C -1.147 173.629 174.600 0.293 0.000 1.118 149 S CA -1.012 57.310 58.200 0.205 0.000 0.947 149 S CB 1.994 65.319 63.200 0.208 0.000 1.053 149 S HN 0.670 nan 8.310 nan 0.000 0.482 150 D N 1.222 121.811 120.400 0.316 0.000 2.256 150 D HA 0.183 4.824 4.640 0.001 0.000 0.250 150 D C -0.645 175.756 176.300 0.167 0.000 1.093 150 D CA -0.474 53.636 54.000 0.184 0.000 0.882 150 D CB 0.862 41.716 40.800 0.091 0.000 1.185 150 D HN 0.563 nan 8.370 nan 0.000 0.437 151 W N 2.584 123.709 121.300 -0.291 0.000 2.689 151 W HA 0.459 5.119 4.660 0.001 0.000 0.340 151 W C -1.791 174.420 176.519 -0.514 0.000 1.060 151 W CA -1.016 56.191 57.345 -0.231 0.000 1.218 151 W CB 1.723 31.159 29.460 -0.040 0.000 1.410 151 W HN 0.316 nan 8.180 nan 0.000 0.528 152 Y N 3.215 123.010 120.300 -0.841 0.000 2.361 152 Y HA 0.204 4.755 4.550 0.001 0.000 0.337 152 Y C 1.293 176.759 175.900 -0.724 0.000 0.965 152 Y CA -0.623 57.109 58.100 -0.613 0.000 1.091 152 Y CB 1.707 39.921 38.460 -0.410 0.000 1.182 152 Y HN 0.474 nan 8.280 nan 0.000 0.450 153 H N 0.473 119.215 119.070 -0.546 0.000 2.395 153 H HA -0.066 4.490 4.556 0.001 0.000 0.299 153 H C 0.816 175.925 175.328 -0.364 0.000 1.070 153 H CA 0.959 56.635 56.048 -0.620 0.000 1.356 153 H CB 0.629 29.818 29.762 -0.954 0.000 1.401 153 H HN 0.452 nan 8.280 nan 0.000 0.524 154 T N 0.284 114.756 114.554 -0.137 0.000 2.909 154 T HA 0.489 4.840 4.350 0.001 0.000 0.286 154 T C 0.000 174.612 174.700 -0.146 0.000 1.002 154 T CA -0.606 61.424 62.100 -0.117 0.000 1.074 154 T CB 1.034 69.837 68.868 -0.110 0.000 0.984 154 T HN 0.306 nan 8.240 nan 0.000 0.495 155 A N 2.731 125.479 122.820 -0.120 0.000 2.313 155 A HA 0.654 4.975 4.320 0.001 0.000 0.261 155 A C 1.762 179.269 177.584 -0.128 0.000 1.090 155 A CA 0.102 52.066 52.037 -0.121 0.000 0.807 155 A CB -0.343 18.615 19.000 -0.071 0.000 1.055 155 A HN 1.215 nan 8.150 nan 0.000 0.492 156 A N 0.220 122.976 122.820 -0.108 0.000 1.933 156 A HA -0.082 4.239 4.320 0.001 0.000 0.218 156 A C 1.884 179.426 177.584 -0.068 0.000 1.175 156 A CA 1.732 53.724 52.037 -0.075 0.000 0.628 156 A CB -0.285 18.677 19.000 -0.065 0.000 0.814 156 A HN 0.642 nan 8.150 nan 0.000 0.444 157 K N -0.682 119.680 120.400 -0.064 0.000 2.361 157 K HA 0.254 4.575 4.320 0.001 0.000 0.196 157 K C 1.612 178.169 176.600 -0.073 0.000 1.039 157 K CA 0.404 56.656 56.287 -0.060 0.000 1.001 157 K CB -0.102 32.375 32.500 -0.037 0.000 0.795 157 K HN 0.533 nan 8.250 nan 0.000 0.495 158 L N -0.415 120.761 121.223 -0.079 0.000 2.298 158 L HA 0.088 4.428 4.340 0.001 0.000 0.209 158 L C 1.527 178.338 176.870 -0.098 0.000 1.084 158 L CA 0.261 55.056 54.840 -0.075 0.000 0.816 158 L CB -0.283 41.740 42.059 -0.061 0.000 0.967 158 L HN 0.064 nan 8.230 nan 0.000 0.460 159 G N 0.143 108.863 108.800 -0.134 0.000 2.508 159 G HA2 0.316 4.277 3.960 0.001 0.000 0.278 159 G HA3 0.316 4.277 3.960 0.001 0.000 0.278 159 G C -2.295 172.489 174.900 -0.192 0.000 1.389 159 G CA -0.565 44.434 45.100 -0.168 0.000 1.050 159 G HN -0.045 nan 8.290 nan 0.000 0.522 160 P HA 0.291 nan 4.420 nan 0.000 0.276 160 P C 0.675 177.778 177.300 -0.329 0.000 1.252 160 P CA 0.236 63.203 63.100 -0.221 0.000 0.802 160 P CB 1.462 33.053 31.700 -0.182 0.000 1.035 161 A N 1.107 123.714 122.820 -0.355 0.000 1.908 161 A HA -0.106 4.214 4.320 0.001 0.000 0.218 161 A C 0.718 177.808 177.584 -0.823 0.000 1.181 161 A CA 1.367 53.041 52.037 -0.604 0.000 0.627 161 A CB -1.103 17.427 19.000 -0.784 0.000 0.818 161 A HN 0.515 nan 8.150 nan 0.000 0.445 162 F N -0.301 119.544 119.950 -0.175 0.000 2.564 162 F HA 0.393 4.921 4.527 0.001 0.000 0.368 162 F C -2.681 172.910 175.800 -0.347 0.000 1.127 162 F CA -3.044 54.825 58.000 -0.218 0.000 1.170 162 F CB 0.633 39.651 39.000 0.030 0.000 1.397 162 F HN -0.103 nan 8.300 nan 0.000 0.493 163 P HA -0.011 nan 4.420 nan 0.000 0.260 163 P C -1.509 175.693 177.300 -0.163 0.000 1.185 163 P CA -0.690 62.143 63.100 -0.445 0.000 0.763 163 P CB 0.455 31.659 31.700 -0.826 0.000 0.776 164 P HA -0.160 nan 4.420 nan 0.000 0.215 164 P C -0.201 177.108 177.300 0.015 0.000 1.153 164 P CA 1.718 64.810 63.100 -0.014 0.000 0.853 164 P CB 0.126 31.814 31.700 -0.021 0.000 0.788 165 N N -2.014 116.708 118.700 0.035 0.000 2.823 165 N HA 0.488 5.228 4.740 0.001 0.000 0.251 165 N C -1.517 174.061 175.510 0.112 0.000 1.392 165 N CA -0.971 52.117 53.050 0.063 0.000 0.864 165 N CB 0.502 38.994 38.487 0.008 0.000 1.481 165 N HN 0.015 nan 8.380 nan 0.000 0.508 166 A N -0.269 122.544 122.820 -0.011 0.000 2.388 166 A HA 0.270 4.590 4.320 0.001 0.000 0.257 166 A C 0.297 177.728 177.584 -0.255 0.000 1.095 166 A CA -0.414 51.413 52.037 -0.351 0.000 0.791 166 A CB -0.021 18.770 19.000 -0.349 0.000 1.029 166 A HN 0.755 nan 8.150 nan 0.000 0.489 167 D N 0.309 120.489 120.400 -0.368 0.000 2.144 167 D HA -0.033 4.608 4.640 0.001 0.000 0.200 167 D C 0.690 176.880 176.300 -0.183 0.000 0.978 167 D CA 2.032 55.806 54.000 -0.376 0.000 0.833 167 D CB 0.089 40.418 40.800 -0.785 0.000 0.961 167 D HN 0.658 nan 8.370 nan 0.000 0.470 168 S N -0.927 114.729 115.700 -0.073 0.000 2.550 168 S HA 0.463 4.934 4.470 0.001 0.000 0.270 168 S C -0.901 173.733 174.600 0.057 0.000 1.145 168 S CA -0.982 57.259 58.200 0.067 0.000 0.852 168 S CB 2.537 65.880 63.200 0.238 0.000 1.119 168 S HN -0.170 nan 8.310 nan 0.000 0.465 169 V N 2.748 122.671 119.914 0.016 0.000 2.350 169 V HA 0.398 4.519 4.120 0.001 0.000 0.276 169 V C -0.497 175.579 176.094 -0.030 0.000 1.028 169 V CA -0.543 61.740 62.300 -0.028 0.000 0.860 169 V CB 0.784 32.503 31.823 -0.172 0.000 0.990 169 V HN 0.797 nan 8.190 nan 0.000 0.453 170 L N 6.557 127.796 121.223 0.027 0.000 2.276 170 L HA 0.551 4.892 4.340 0.001 0.000 0.286 170 L C -0.246 176.601 176.870 -0.038 0.000 1.061 170 L CA -0.220 54.627 54.840 0.012 0.000 0.807 170 L CB 1.279 43.374 42.059 0.060 0.000 1.177 170 L HN 0.460 nan 8.230 nan 0.000 0.429 171 I N 3.736 124.275 120.570 -0.051 0.000 2.385 171 I HA 0.199 4.370 4.170 0.001 0.000 0.294 171 I C 0.461 176.552 176.117 -0.042 0.000 0.988 171 I CA -0.523 60.747 61.300 -0.050 0.000 1.265 171 I CB 1.160 39.141 38.000 -0.033 0.000 1.388 171 I HN 0.636 nan 8.210 nan 0.000 0.480 172 N N 4.458 123.123 118.700 -0.057 0.000 2.654 172 N HA -0.235 4.506 4.740 0.001 0.000 0.248 172 N C 0.803 176.274 175.510 -0.066 0.000 1.116 172 N CA 1.484 54.496 53.050 -0.063 0.000 0.730 172 N CB -1.021 37.444 38.487 -0.037 0.000 1.040 172 N HN 1.113 nan 8.380 nan 0.000 0.548 173 G N -2.339 106.420 108.800 -0.069 0.000 2.132 173 G HA2 -0.265 3.696 3.960 0.001 0.000 0.234 173 G HA3 -0.265 3.696 3.960 0.001 0.000 0.234 173 G C -0.299 174.590 174.900 -0.019 0.000 0.989 173 G CA 0.272 45.346 45.100 -0.044 0.000 0.676 173 G HN 0.419 nan 8.290 nan 0.000 0.522 174 L N -0.503 120.710 121.223 -0.017 0.000 2.436 174 L HA 0.804 5.144 4.340 0.001 0.000 0.268 174 L C 0.529 177.401 176.870 0.003 0.000 0.974 174 L CA -0.182 54.656 54.840 -0.004 0.000 0.826 174 L CB 2.169 44.230 42.059 0.004 0.000 1.291 174 L HN 0.487 nan 8.230 nan 0.000 0.406 175 G N 2.204 111.017 108.800 0.022 0.000 2.561 175 G HA2 0.699 4.660 3.960 0.001 0.000 0.310 175 G HA3 0.699 4.660 3.960 0.001 0.000 0.310 175 G C -1.832 173.101 174.900 0.055 0.000 1.292 175 G CA -0.703 44.410 45.100 0.022 0.000 0.811 175 G HN 0.417 nan 8.290 nan 0.000 0.482 176 R N -1.254 119.270 120.500 0.040 0.000 2.836 176 R HA 0.686 5.026 4.340 0.001 0.000 0.269 176 R C -0.683 175.679 176.300 0.104 0.000 1.010 176 R CA -0.781 55.338 56.100 0.032 0.000 0.930 176 R CB 1.895 32.135 30.300 -0.100 0.000 1.218 176 R HN 0.572 nan 8.270 nan 0.000 0.473 177 F N -0.731 119.244 119.950 0.042 0.000 2.561 177 F HA 0.773 5.301 4.527 0.001 0.000 0.384 177 F C 1.223 177.006 175.800 -0.027 0.000 1.131 177 F CA -0.713 57.277 58.000 -0.016 0.000 1.133 177 F CB -0.209 38.763 39.000 -0.047 0.000 1.506 177 F HN 0.536 nan 8.300 nan 0.000 0.499 178 A N 0.571 123.515 122.820 0.207 0.000 1.829 178 A HA 0.114 4.434 4.320 0.001 0.000 0.216 178 A C 1.835 179.409 177.584 -0.017 0.000 1.207 178 A CA 1.555 53.632 52.037 0.067 0.000 0.622 178 A CB -1.790 17.267 19.000 0.096 0.000 0.846 178 A HN 1.123 nan 8.150 nan 0.000 0.447 179 G N 0.332 109.183 108.800 0.085 0.000 3.401 179 G HA2 0.449 4.410 3.960 0.001 0.000 0.251 179 G HA3 0.449 4.410 3.960 0.001 0.000 0.251 179 G C 0.523 175.279 174.900 -0.239 0.000 0.960 179 G CA 0.255 45.361 45.100 0.009 0.000 1.900 179 G HN 0.724 nan 8.290 nan 0.000 0.645 180 G N 0.172 108.657 108.800 -0.525 0.000 2.636 180 G HA2 0.098 4.058 3.960 0.001 0.000 0.246 180 G HA3 0.098 4.058 3.960 0.001 0.000 0.246 180 G C 0.864 175.481 174.900 -0.472 0.000 1.216 180 G CA -0.502 44.032 45.100 -0.944 0.000 0.854 180 G HN 0.373 nan 8.290 nan 0.000 0.572 181 N N 0.037 118.509 118.700 -0.381 0.000 2.521 181 N HA 0.137 4.877 4.740 0.001 0.000 0.188 181 N C 1.594 177.052 175.510 -0.087 0.000 1.146 181 N CA 1.212 54.194 53.050 -0.113 0.000 0.893 181 N CB -0.136 38.356 38.487 0.009 0.000 0.975 181 N HN 1.018 nan 8.380 nan 0.000 0.451 182 A N -0.339 122.405 122.820 -0.127 0.000 2.640 182 A HA -0.191 4.129 4.320 0.001 0.000 0.300 182 A C 0.641 178.208 177.584 -0.028 0.000 1.499 182 A CA 0.881 52.876 52.037 -0.071 0.000 0.759 182 A CB -2.470 16.500 19.000 -0.050 0.000 1.048 182 A HN 0.603 nan 8.150 nan 0.000 0.450 183 S N -0.614 115.073 115.700 -0.020 0.000 2.758 183 S HA 0.623 5.094 4.470 0.001 0.000 0.292 183 S C -0.178 174.433 174.600 0.019 0.000 1.131 183 S CA -0.516 57.689 58.200 0.008 0.000 0.997 183 S CB 0.675 63.891 63.200 0.026 0.000 1.111 183 S HN 0.409 nan 8.310 nan 0.000 0.552 184 D N 0.818 121.232 120.400 0.024 0.000 2.629 184 D HA 0.091 4.732 4.640 0.001 0.000 0.228 184 D C 0.025 176.344 176.300 0.030 0.000 1.127 184 D CA 0.850 54.865 54.000 0.025 0.000 0.855 184 D CB 0.150 40.963 40.800 0.021 0.000 1.180 184 D HN 0.369 nan 8.370 nan 0.000 0.484 185 L N 0.886 122.131 121.223 0.038 0.000 2.492 185 L HA 0.540 4.881 4.340 0.001 0.000 0.263 185 L C 0.679 177.567 176.870 0.030 0.000 1.062 185 L CA -1.065 53.804 54.840 0.048 0.000 0.817 185 L CB 0.643 42.763 42.059 0.100 0.000 1.441 185 L HN 0.326 nan 8.230 nan 0.000 0.493 186 A N 0.371 123.208 122.820 0.028 0.000 2.331 186 A HA 0.577 4.898 4.320 0.001 0.000 0.283 186 A C -0.572 177.014 177.584 0.002 0.000 1.142 186 A CA -0.436 51.607 52.037 0.009 0.000 0.812 186 A CB 0.544 19.544 19.000 -0.001 0.000 1.074 186 A HN 0.448 nan 8.150 nan 0.000 0.497 187 V N 1.294 121.203 119.914 -0.009 0.000 2.378 187 V HA 0.657 4.778 4.120 0.001 0.000 0.288 187 V C -0.413 175.661 176.094 -0.032 0.000 1.016 187 V CA -0.459 61.826 62.300 -0.025 0.000 0.840 187 V CB 0.575 32.386 31.823 -0.020 0.000 0.994 187 V HN 0.628 nan 8.190 nan 0.000 0.431 188 I N 4.087 124.620 120.570 -0.062 0.000 2.362 188 I HA 0.450 4.621 4.170 0.001 0.000 0.289 188 I C 0.352 176.408 176.117 -0.103 0.000 0.994 188 I CA -0.067 61.191 61.300 -0.070 0.000 1.158 188 I CB 2.119 40.043 38.000 -0.127 0.000 1.315 188 I HN 0.680 nan 8.210 nan 0.000 0.451 189 T N 6.223 120.730 114.554 -0.079 0.000 2.837 189 T HA 0.574 4.925 4.350 0.001 0.000 0.285 189 T C -0.189 174.380 174.700 -0.218 0.000 0.984 189 T CA -0.559 61.481 62.100 -0.099 0.000 1.049 189 T CB 1.410 70.265 68.868 -0.022 0.000 0.947 189 T HN 0.386 nan 8.240 nan 0.000 0.472 190 V N 0.507 120.253 119.914 -0.281 0.000 2.876 190 V HA 0.662 4.783 4.120 0.001 0.000 0.312 190 V C -0.703 175.364 176.094 -0.046 0.000 1.085 190 V CA -1.298 60.754 62.300 -0.413 0.000 0.945 190 V CB 2.061 33.402 31.823 -0.804 0.000 1.017 190 V HN 0.839 nan 8.190 nan 0.000 0.428 191 E N 1.553 121.876 120.200 0.206 0.000 2.204 191 E HA 0.370 4.720 4.350 0.001 0.000 0.276 191 E C -0.755 176.035 176.600 0.316 0.000 0.974 191 E CA -0.771 55.778 56.400 0.248 0.000 0.815 191 E CB 1.764 31.587 29.700 0.206 0.000 1.119 191 E HN 0.691 nan 8.360 nan 0.000 0.393 192 Q N 2.050 122.044 119.800 0.324 0.000 2.333 192 Q HA -0.099 4.242 4.340 0.001 0.000 0.299 192 Q C 0.032 176.161 176.000 0.214 0.000 1.067 192 Q CA 0.565 56.551 55.803 0.305 0.000 0.943 192 Q CB 0.332 29.179 28.738 0.182 0.000 1.233 192 Q HN 0.552 nan 8.270 nan 0.000 0.401 193 N N 0.429 119.255 118.700 0.209 0.000 2.927 193 N HA -0.187 4.553 4.740 0.001 0.000 0.215 193 N C -0.928 174.653 175.510 0.119 0.000 0.868 193 N CA 1.433 54.567 53.050 0.140 0.000 1.075 193 N CB -0.688 37.853 38.487 0.090 0.000 0.989 193 N HN 0.526 nan 8.380 nan 0.000 0.609 194 K N 2.030 122.511 120.400 0.135 0.000 2.436 194 K HA 0.107 4.427 4.320 0.001 0.000 0.282 194 K C 0.323 176.942 176.600 0.031 0.000 1.044 194 K CA 0.184 56.489 56.287 0.031 0.000 1.028 194 K CB 0.443 32.928 32.500 -0.025 0.000 0.919 194 K HN 0.169 nan 8.250 nan 0.000 0.474 195 R N 2.523 122.989 120.500 -0.057 0.000 2.389 195 R HA 0.128 4.468 4.340 0.001 0.000 0.295 195 R C -0.705 175.464 176.300 -0.217 0.000 1.075 195 R CA -0.040 56.056 56.100 -0.007 0.000 1.005 195 R CB 0.286 30.608 30.300 0.037 0.000 0.987 195 R HN 0.429 nan 8.270 nan 0.000 0.452 196 Y N 1.203 121.418 120.300 -0.142 0.000 2.377 196 Y HA 0.314 4.864 4.550 0.001 0.000 0.339 196 Y C 0.446 175.998 175.900 -0.580 0.000 1.011 196 Y CA -0.735 57.095 58.100 -0.449 0.000 1.093 196 Y CB 1.523 39.513 38.460 -0.783 0.000 1.201 196 Y HN 0.304 nan 8.280 nan 0.000 0.455 197 R N 4.215 124.330 120.500 -0.641 0.000 2.215 197 R HA 0.352 4.693 4.340 0.001 0.000 0.337 197 R C -1.848 173.995 176.300 -0.761 0.000 1.010 197 R CA -0.434 55.184 56.100 -0.803 0.000 0.871 197 R CB 0.017 29.462 30.300 -1.424 0.000 1.134 197 R HN 0.517 nan 8.270 nan 0.000 0.477 198 F N 3.269 122.818 119.950 -0.669 0.000 2.410 198 F HA 0.407 4.935 4.527 0.001 0.000 0.349 198 F C 0.715 176.157 175.800 -0.597 0.000 1.117 198 F CA -0.596 56.985 58.000 -0.699 0.000 1.104 198 F CB 1.350 39.694 39.000 -1.093 0.000 1.122 198 F HN 0.237 nan 8.300 nan 0.000 0.483 199 R N 3.706 124.124 120.500 -0.136 0.000 2.233 199 R HA 0.399 4.739 4.340 0.001 0.000 0.334 199 R C -1.136 175.111 176.300 -0.090 0.000 1.037 199 R CA -0.830 55.194 56.100 -0.126 0.000 0.920 199 R CB 0.872 31.098 30.300 -0.124 0.000 1.137 199 R HN 0.465 nan 8.270 nan 0.000 0.492 200 L N 4.468 125.650 121.223 -0.069 0.000 2.265 200 L HA 0.350 4.690 4.340 0.001 0.000 0.288 200 L C -0.900 175.860 176.870 -0.183 0.000 1.058 200 L CA -0.317 54.444 54.840 -0.132 0.000 0.809 200 L CB 1.475 43.449 42.059 -0.141 0.000 1.179 200 L HN 0.252 nan 8.230 nan 0.000 0.429 201 V N 3.599 123.368 119.914 -0.242 0.000 2.540 201 V HA 0.455 4.576 4.120 0.001 0.000 0.302 201 V C 0.014 175.854 176.094 -0.424 0.000 1.035 201 V CA -0.648 61.444 62.300 -0.347 0.000 0.873 201 V CB 1.594 33.213 31.823 -0.339 0.000 0.992 201 V HN 0.781 nan 8.190 nan 0.000 0.428 202 S N 4.546 119.903 115.700 -0.572 0.000 2.464 202 S HA 0.439 4.909 4.470 0.001 0.000 0.313 202 S C 0.063 174.060 174.600 -1.006 0.000 1.078 202 S CA -0.555 57.311 58.200 -0.555 0.000 1.096 202 S CB -0.101 62.837 63.200 -0.436 0.000 1.032 202 S HN 0.540 nan 8.310 nan 0.000 0.498 203 L N 4.318 125.053 121.223 -0.815 0.000 2.805 203 L HA 0.345 4.685 4.340 0.001 0.000 0.237 203 L C 1.175 177.859 176.870 -0.309 0.000 1.252 203 L CA 0.128 54.380 54.840 -0.981 0.000 1.064 203 L CB -0.573 41.184 42.059 -0.503 0.000 1.361 203 L HN 0.544 nan 8.230 nan 0.000 0.474 204 S N -1.642 113.892 115.700 -0.277 0.000 2.593 204 S HA 0.098 4.569 4.470 0.001 0.000 0.269 204 S C 1.206 175.891 174.600 0.142 0.000 1.334 204 S CA -0.472 57.697 58.200 -0.050 0.000 1.015 204 S CB 0.843 63.876 63.200 -0.278 0.000 0.912 204 S HN 0.442 nan 8.310 nan 0.000 0.541 205 c N 1.963 120.654 118.600 0.152 0.000 2.791 205 c HA 0.337 4.907 4.570 0.001 0.000 0.288 205 c C 1.669 175.764 174.090 0.007 0.000 1.271 205 c CA -0.167 56.175 56.329 0.020 0.000 1.726 205 c CB -0.616 41.837 42.510 -0.096 0.000 2.145 205 c HN 0.988 nan 8.230 nan 0.000 0.572 206 D N -0.866 119.587 120.400 0.088 0.000 2.769 206 D HA 0.100 4.741 4.640 0.001 0.000 0.155 206 D C -2.361 173.929 176.300 -0.017 0.000 1.479 206 D CA 0.353 54.397 54.000 0.074 0.000 1.511 206 D CB -0.525 40.425 40.800 0.251 0.000 1.634 206 D HN 0.138 nan 8.370 nan 0.000 0.282 207 P HA 0.190 nan 4.420 nan 0.000 0.277 207 P C -0.677 176.371 177.300 -0.420 0.000 1.240 207 P CA -0.188 62.828 63.100 -0.140 0.000 0.798 207 P CB 0.763 32.443 31.700 -0.034 0.000 0.979 208 N N 1.077 119.566 118.700 -0.352 0.000 2.417 208 N HA 0.294 5.035 4.740 0.001 0.000 0.300 208 N C -1.094 174.178 175.510 -0.397 0.000 1.102 208 N CA -0.407 52.321 53.050 -0.538 0.000 0.886 208 N CB 0.869 39.019 38.487 -0.563 0.000 1.203 208 N HN 0.098 nan 8.380 nan 0.000 0.496 209 F N -0.170 119.639 119.950 -0.234 0.000 2.432 209 F HA 0.365 4.892 4.527 0.001 0.000 0.329 209 F C 0.685 176.374 175.800 -0.185 0.000 1.076 209 F CA -0.983 56.921 58.000 -0.160 0.000 1.018 209 F CB 1.581 40.526 39.000 -0.091 0.000 1.201 209 F HN 0.335 nan 8.300 nan 0.000 0.489 210 T N 2.773 117.370 114.554 0.071 0.000 3.149 210 T HA 0.239 4.590 4.350 0.001 0.000 0.373 210 T C -0.662 174.028 174.700 -0.015 0.000 1.364 210 T CA -0.246 61.841 62.100 -0.022 0.000 1.110 210 T CB -0.585 68.244 68.868 -0.065 0.000 1.127 210 T HN 0.303 nan 8.240 nan 0.000 0.576 211 F N 4.146 124.013 119.950 -0.138 0.000 2.472 211 F HA 0.460 4.988 4.527 0.001 0.000 0.364 211 F C 0.572 176.244 175.800 -0.214 0.000 1.090 211 F CA -0.140 57.753 58.000 -0.180 0.000 1.188 211 F CB 0.370 39.260 39.000 -0.183 0.000 1.105 211 F HN 0.509 nan 8.300 nan 0.000 0.536 212 S N 6.051 121.321 115.700 -0.718 0.000 2.564 212 S HA 0.783 5.253 4.470 0.001 0.000 0.274 212 S C -1.066 173.144 174.600 -0.651 0.000 1.124 212 S CA -0.946 56.947 58.200 -0.513 0.000 0.869 212 S CB 1.710 64.744 63.200 -0.277 0.000 1.105 212 S HN 0.532 nan 8.310 nan 0.000 0.472 213 I N 1.436 121.771 120.570 -0.392 0.000 2.465 213 I HA 0.356 4.527 4.170 0.001 0.000 0.291 213 I C -1.003 175.095 176.117 -0.032 0.000 1.014 213 I CA -0.744 60.410 61.300 -0.242 0.000 1.093 213 I CB 1.825 39.678 38.000 -0.246 0.000 1.267 213 I HN 0.574 nan 8.210 nan 0.000 0.431 214 D N 4.863 125.318 120.400 0.092 0.000 2.417 214 D HA 0.232 4.872 4.640 0.001 0.000 0.250 214 D C 1.054 177.515 176.300 0.267 0.000 1.166 214 D CA 0.960 55.080 54.000 0.200 0.000 0.881 214 D CB 1.061 42.046 40.800 0.309 0.000 1.164 214 D HN 0.885 nan 8.370 nan 0.000 0.467 215 G N 2.076 110.938 108.800 0.102 0.000 2.225 215 G HA2 -0.265 3.695 3.960 0.001 0.000 0.267 215 G HA3 -0.265 3.695 3.960 0.001 0.000 0.267 215 G C 0.056 174.717 174.900 -0.398 0.000 1.024 215 G CA 0.626 45.679 45.100 -0.079 0.000 0.784 215 G HN 0.686 nan 8.290 nan 0.000 0.507 216 H N -1.213 117.798 119.070 -0.098 0.000 2.943 216 H HA 0.727 5.284 4.556 0.001 0.000 0.323 216 H C -0.070 175.227 175.328 -0.053 0.000 1.296 216 H CA -0.795 55.201 56.048 -0.086 0.000 1.155 216 H CB 1.276 30.973 29.762 -0.108 0.000 1.882 216 H HN 0.151 nan 8.280 nan 0.000 0.553 217 N N 0.217 119.003 118.700 0.143 0.000 2.455 217 N HA 0.463 5.203 4.740 0.001 0.000 0.278 217 N C -1.396 174.174 175.510 0.099 0.000 1.291 217 N CA -0.641 52.451 53.050 0.069 0.000 0.780 217 N CB 2.361 40.881 38.487 0.055 0.000 1.520 217 N HN 0.390 nan 8.380 nan 0.000 0.486 218 M N 0.771 120.384 119.600 0.023 0.000 2.326 218 M HA 0.337 4.817 4.480 0.001 0.000 0.306 218 M C -0.820 175.547 176.300 0.111 0.000 1.054 218 M CA -0.563 54.775 55.300 0.062 0.000 0.922 218 M CB 2.096 34.457 32.600 -0.398 0.000 1.632 218 M HN 0.270 nan 8.290 nan 0.000 0.436 219 T N 3.680 118.369 114.554 0.224 0.000 2.947 219 T HA 0.523 4.874 4.350 0.001 0.000 0.337 219 T C 0.048 174.828 174.700 0.132 0.000 1.139 219 T CA -0.438 61.742 62.100 0.135 0.000 0.992 219 T CB -0.123 68.808 68.868 0.104 0.000 1.043 219 T HN 0.478 nan 8.240 nan 0.000 0.498 220 I N 3.872 124.505 120.570 0.106 0.000 2.496 220 I HA 0.204 4.375 4.170 0.001 0.000 0.285 220 I C 1.272 177.403 176.117 0.023 0.000 1.080 220 I CA -0.000 61.370 61.300 0.118 0.000 1.404 220 I CB 0.822 38.899 38.000 0.128 0.000 1.403 220 I HN 0.690 nan 8.210 nan 0.000 0.539 221 I N 1.599 122.148 120.570 -0.036 0.000 4.624 221 I HA 0.398 4.569 4.170 0.001 0.000 0.327 221 I C 0.469 176.602 176.117 0.026 0.000 1.295 221 I CA -0.074 61.107 61.300 -0.199 0.000 1.267 221 I CB 0.431 38.003 38.000 -0.714 0.000 1.249 221 I HN 0.453 nan 8.210 nan 0.000 0.440 222 E N 2.087 122.311 120.200 0.040 0.000 2.224 222 E HA 0.530 4.881 4.350 0.001 0.000 0.265 222 E C -1.691 174.852 176.600 -0.096 0.000 0.878 222 E CA -0.628 55.787 56.400 0.025 0.000 0.759 222 E CB 3.531 33.225 29.700 -0.010 0.000 1.164 222 E HN 0.040 nan 8.360 nan 0.000 0.414 223 V N 4.449 124.212 119.914 -0.252 0.000 2.487 223 V HA 0.242 4.363 4.120 0.001 0.000 0.298 223 V C -1.147 174.697 176.094 -0.416 0.000 1.028 223 V CA -0.379 61.600 62.300 -0.535 0.000 0.860 223 V CB 1.467 32.913 31.823 -0.629 0.000 0.991 223 V HN 0.882 nan 8.190 nan 0.000 0.427 224 D N 5.251 125.373 120.400 -0.462 0.000 2.720 224 D HA -0.166 4.475 4.640 0.001 0.000 0.229 224 D C 1.208 177.378 176.300 -0.218 0.000 1.198 224 D CA 1.887 55.707 54.000 -0.299 0.000 0.639 224 D CB -1.217 39.450 40.800 -0.223 0.000 1.003 224 D HN 1.617 nan 8.370 nan 0.000 0.411 225 G N -2.678 105.921 108.800 -0.335 0.000 2.454 225 G HA2 -0.328 3.633 3.960 0.001 0.000 0.225 225 G HA3 -0.328 3.633 3.960 0.001 0.000 0.225 225 G C 0.370 175.245 174.900 -0.042 0.000 1.138 225 G CA 0.024 44.920 45.100 -0.340 0.000 0.667 225 G HN 0.778 nan 8.290 nan 0.000 0.512 226 V N 2.604 122.544 119.914 0.042 0.000 2.530 226 V HA 0.418 4.539 4.120 0.001 0.000 0.282 226 V C 0.361 176.630 176.094 0.290 0.000 1.048 226 V CA -1.166 61.245 62.300 0.185 0.000 0.997 226 V CB 1.346 33.316 31.823 0.246 0.000 0.987 226 V HN 0.382 nan 8.190 nan 0.000 0.477 227 N N 3.075 121.936 118.700 0.267 0.000 2.468 227 N HA 0.206 4.947 4.740 0.001 0.000 0.265 227 N C -0.453 175.275 175.510 0.364 0.000 1.199 227 N CA 0.224 53.471 53.050 0.328 0.000 0.928 227 N CB 0.343 38.975 38.487 0.240 0.000 1.059 227 N HN 0.716 nan 8.380 nan 0.000 0.467 228 H N -0.009 119.193 119.070 0.221 0.000 2.797 228 H HA 0.241 4.797 4.556 0.001 0.000 0.372 228 H C -0.143 175.329 175.328 0.241 0.000 1.168 228 H CA -0.607 55.553 56.048 0.186 0.000 1.163 228 H CB 0.986 30.823 29.762 0.126 0.000 1.778 228 H HN 0.270 nan 8.280 nan 0.000 0.551 229 E N 2.593 122.960 120.200 0.279 0.000 2.529 229 E HA 0.035 4.386 4.350 0.001 0.000 0.259 229 E C -2.191 174.520 176.600 0.186 0.000 0.966 229 E CA -1.138 55.407 56.400 0.242 0.000 0.937 229 E CB -0.017 29.778 29.700 0.158 0.000 0.923 229 E HN 0.362 nan 8.360 nan 0.000 0.468 230 P HA -0.024 nan 4.420 nan 0.000 0.262 230 P C -0.570 176.769 177.300 0.064 0.000 1.182 230 P CA 0.160 63.278 63.100 0.030 0.000 0.761 230 P CB 0.340 32.059 31.700 0.032 0.000 0.795 231 L N 3.375 124.630 121.223 0.053 0.000 2.409 231 L HA 0.308 4.649 4.340 0.001 0.000 0.272 231 L C -0.258 176.638 176.870 0.042 0.000 0.980 231 L CA -0.517 54.356 54.840 0.056 0.000 0.826 231 L CB 1.554 43.653 42.059 0.065 0.000 1.268 231 L HN 0.180 nan 8.230 nan 0.000 0.407 232 E N 3.931 124.153 120.200 0.037 0.000 2.299 232 E HA 0.302 4.652 4.350 0.001 0.000 0.272 232 E C -0.960 175.644 176.600 0.008 0.000 1.043 232 E CA 0.068 56.484 56.400 0.028 0.000 0.895 232 E CB 1.507 31.223 29.700 0.028 0.000 1.011 232 E HN 0.314 nan 8.360 nan 0.000 0.432 233 V N 3.227 123.137 119.914 -0.007 0.000 2.709 233 V HA 0.055 4.175 4.120 0.001 0.000 0.308 233 V C 0.533 176.592 176.094 -0.059 0.000 1.062 233 V CA -0.521 61.752 62.300 -0.045 0.000 0.901 233 V CB 2.299 34.073 31.823 -0.082 0.000 1.003 233 V HN 0.555 nan 8.190 nan 0.000 0.425 234 D N 1.804 122.165 120.400 -0.065 0.000 2.290 234 D HA 0.097 4.738 4.640 0.001 0.000 0.224 234 D C 0.734 176.968 176.300 -0.111 0.000 0.967 234 D CA 1.275 55.232 54.000 -0.073 0.000 0.893 234 D CB 0.473 41.241 40.800 -0.053 0.000 1.037 234 D HN 0.663 nan 8.370 nan 0.000 0.477 235 S N -0.650 114.983 115.700 -0.112 0.000 2.548 235 S HA 0.598 5.069 4.470 0.001 0.000 0.286 235 S C -0.769 173.749 174.600 -0.137 0.000 1.098 235 S CA -0.932 57.191 58.200 -0.127 0.000 0.930 235 S CB 1.651 64.784 63.200 -0.110 0.000 1.070 235 S HN 0.081 nan 8.310 nan 0.000 0.480 236 I N 2.068 122.559 120.570 -0.131 0.000 2.362 236 I HA 0.337 4.508 4.170 0.001 0.000 0.289 236 I C 0.105 176.129 176.117 -0.156 0.000 0.994 236 I CA -0.375 60.798 61.300 -0.211 0.000 1.158 236 I CB 1.813 39.628 38.000 -0.309 0.000 1.315 236 I HN 0.724 nan 8.210 nan 0.000 0.451 237 Q N 7.096 126.787 119.800 -0.182 0.000 2.423 237 Q HA 0.369 4.710 4.340 0.001 0.000 0.235 237 Q C -0.848 174.998 176.000 -0.256 0.000 1.100 237 Q CA -0.251 55.412 55.803 -0.233 0.000 0.908 237 Q CB 0.790 29.385 28.738 -0.239 0.000 1.312 237 Q HN 0.598 nan 8.270 nan 0.000 0.497 238 I N 4.283 124.720 120.570 -0.221 0.000 2.328 238 I HA 0.319 4.489 4.170 0.001 0.000 0.287 238 I C -1.091 174.892 176.117 -0.224 0.000 1.012 238 I CA -0.655 60.605 61.300 -0.066 0.000 1.195 238 I CB 0.358 38.367 38.000 0.015 0.000 1.350 238 I HN 0.444 nan 8.210 nan 0.000 0.464 239 F N 5.738 125.652 119.950 -0.061 0.000 2.375 239 F HA 0.524 5.052 4.527 0.001 0.000 0.313 239 F C 1.218 176.895 175.800 -0.206 0.000 1.176 239 F CA -0.332 57.587 58.000 -0.134 0.000 1.142 239 F CB 0.454 39.419 39.000 -0.057 0.000 1.275 239 F HN 0.469 nan 8.300 nan 0.000 0.544 240 A N 0.974 123.782 122.820 -0.020 0.000 2.587 240 A HA 0.330 4.651 4.320 0.001 0.000 0.235 240 A C 0.956 178.384 177.584 -0.260 0.000 1.044 240 A CA 0.583 52.520 52.037 -0.166 0.000 0.754 240 A CB -0.712 18.257 19.000 -0.052 0.000 0.968 240 A HN 1.694 nan 8.150 nan 0.000 0.509 241 S N -0.247 115.143 115.700 -0.517 0.000 2.769 241 S HA -0.260 4.211 4.470 0.001 0.000 0.264 241 S C 0.212 174.514 174.600 -0.497 0.000 1.288 241 S CA 1.659 59.475 58.200 -0.639 0.000 1.378 241 S CB -2.338 60.317 63.200 -0.908 0.000 1.702 241 S HN 1.078 nan 8.310 nan 0.000 0.656 242 Q N 1.156 120.761 119.800 -0.324 0.000 2.417 242 Q HA 0.662 5.003 4.340 0.001 0.000 0.241 242 Q C 0.025 175.833 176.000 -0.320 0.000 1.008 242 Q CA -0.155 55.503 55.803 -0.243 0.000 0.901 242 Q CB 0.341 29.029 28.738 -0.084 0.000 1.259 242 Q HN 0.463 nan 8.270 nan 0.000 0.489 243 R N 0.509 120.788 120.500 -0.368 0.000 2.686 243 R HA 0.527 4.868 4.340 0.001 0.000 0.283 243 R C -1.650 174.368 176.300 -0.470 0.000 0.978 243 R CA -0.501 55.397 56.100 -0.336 0.000 0.897 243 R CB 1.314 31.430 30.300 -0.308 0.000 1.192 243 R HN 0.497 nan 8.270 nan 0.000 0.457 244 Y N -0.524 119.690 120.300 -0.143 0.000 2.457 244 Y HA 0.491 5.042 4.550 0.001 0.000 0.343 244 Y C -0.354 175.525 175.900 -0.034 0.000 0.994 244 Y CA -0.623 57.430 58.100 -0.078 0.000 1.031 244 Y CB 2.857 41.291 38.460 -0.043 0.000 1.246 244 Y HN 0.450 nan 8.280 nan 0.000 0.449 245 S N 4.141 119.910 115.700 0.114 0.000 2.449 245 S HA 0.662 5.133 4.470 0.001 0.000 0.310 245 S C -1.234 173.430 174.600 0.107 0.000 1.096 245 S CA -0.668 57.540 58.200 0.013 0.000 1.095 245 S CB 0.027 63.175 63.200 -0.087 0.000 1.007 245 S HN 0.467 nan 8.310 nan 0.000 0.474 246 F N 0.844 120.803 119.950 0.015 0.000 2.540 246 F HA 0.818 5.346 4.527 0.001 0.000 0.317 246 F C -0.964 174.864 175.800 0.048 0.000 1.104 246 F CA -1.289 56.730 58.000 0.032 0.000 0.913 246 F CB 0.707 39.744 39.000 0.062 0.000 1.170 246 F HN 0.166 nan 8.300 nan 0.000 0.450 247 V N 4.877 124.844 119.914 0.088 0.000 2.383 247 V HA 0.333 4.453 4.120 0.001 0.000 0.275 247 V C -0.282 175.957 176.094 0.241 0.000 1.036 247 V CA -0.604 61.723 62.300 0.045 0.000 0.889 247 V CB 1.288 33.146 31.823 0.059 0.000 0.985 247 V HN 0.865 nan 8.190 nan 0.000 0.459 248 L N 5.330 126.717 121.223 0.273 0.000 2.272 248 L HA 0.555 4.896 4.340 0.001 0.000 0.289 248 L C 0.169 177.200 176.870 0.269 0.000 1.032 248 L CA -0.289 54.771 54.840 0.366 0.000 0.810 248 L CB 1.003 43.387 42.059 0.541 0.000 1.205 248 L HN 0.523 nan 8.230 nan 0.000 0.422 249 N N 4.857 123.698 118.700 0.235 0.000 2.555 249 N HA 0.199 4.939 4.740 0.001 0.000 0.244 249 N C -0.024 175.634 175.510 0.246 0.000 1.114 249 N CA -0.026 53.145 53.050 0.202 0.000 0.963 249 N CB 1.407 39.983 38.487 0.148 0.000 1.276 249 N HN 0.683 nan 8.380 nan 0.000 0.510 250 A N 1.934 124.926 122.820 0.287 0.000 3.152 250 A HA 0.034 4.354 4.320 0.001 0.000 0.280 250 A C 1.160 178.969 177.584 0.374 0.000 2.009 250 A CA 0.056 52.313 52.037 0.368 0.000 1.494 250 A CB -0.932 18.263 19.000 0.325 0.000 0.941 250 A HN 0.537 nan 8.150 nan 0.000 0.601 251 T N -1.810 112.908 114.554 0.274 0.000 3.129 251 T HA 0.249 4.600 4.350 0.001 0.000 0.267 251 T C 0.243 174.953 174.700 0.016 0.000 1.018 251 T CA -0.334 61.841 62.100 0.124 0.000 0.903 251 T CB 0.160 69.075 68.868 0.079 0.000 1.067 251 T HN 0.474 nan 8.240 nan 0.000 0.549 252 Q N 2.183 121.969 119.800 -0.024 0.000 2.257 252 Q HA 0.503 4.844 4.340 0.001 0.000 0.262 252 Q C 0.003 175.773 176.000 -0.384 0.000 0.997 252 Q CA -0.476 55.199 55.803 -0.213 0.000 0.873 252 Q CB 1.905 30.424 28.738 -0.365 0.000 1.312 252 Q HN 0.526 nan 8.270 nan 0.000 0.450 253 S N -0.610 114.971 115.700 -0.199 0.000 2.558 253 S HA 0.076 4.547 4.470 0.001 0.000 0.291 253 S C 0.472 174.897 174.600 -0.291 0.000 1.306 253 S CA -0.715 57.373 58.200 -0.188 0.000 1.056 253 S CB 0.033 63.179 63.200 -0.090 0.000 0.836 253 S HN 0.367 nan 8.310 nan 0.000 0.504 254 V N 4.128 123.886 119.914 -0.260 0.000 2.442 254 V HA 0.161 4.282 4.120 0.001 0.000 0.272 254 V C 0.600 176.656 176.094 -0.063 0.000 0.989 254 V CA 0.713 62.898 62.300 -0.192 0.000 1.123 254 V CB -1.181 30.619 31.823 -0.038 0.000 1.008 254 V HN 0.937 nan 8.190 nan 0.000 0.469 255 D N 3.189 123.619 120.400 0.051 0.000 2.622 255 D HA 0.219 4.859 4.640 0.001 0.000 0.255 255 D C -1.149 175.155 176.300 0.007 0.000 1.246 255 D CA -0.729 53.229 54.000 -0.070 0.000 0.795 255 D CB 2.044 42.642 40.800 -0.336 0.000 1.369 255 D HN 0.366 nan 8.370 nan 0.000 0.425 256 N N 1.407 119.964 118.700 -0.237 0.000 2.422 256 N HA 0.245 4.985 4.740 0.001 0.000 0.264 256 N C -0.986 174.239 175.510 -0.476 0.000 1.063 256 N CA 0.188 53.097 53.050 -0.235 0.000 0.959 256 N CB 0.622 38.929 38.487 -0.301 0.000 1.087 256 N HN 0.259 nan 8.380 nan 0.000 0.483 257 Y N -0.066 120.147 120.300 -0.145 0.000 2.509 257 Y HA 0.348 4.899 4.550 0.001 0.000 0.341 257 Y C -0.017 175.760 175.900 -0.205 0.000 1.038 257 Y CA -0.934 57.089 58.100 -0.127 0.000 1.089 257 Y CB 1.186 39.712 38.460 0.109 0.000 1.241 257 Y HN 0.400 nan 8.280 nan 0.000 0.468 258 W N 3.508 124.861 121.300 0.088 0.000 2.266 258 W HA 0.503 5.164 4.660 0.001 0.000 0.317 258 W C -0.676 175.776 176.519 -0.111 0.000 1.310 258 W CA -0.259 57.066 57.345 -0.033 0.000 1.207 258 W CB 0.515 29.940 29.460 -0.058 0.000 1.199 258 W HN 0.194 nan 8.180 nan 0.000 0.544 259 I N 4.880 125.539 120.570 0.148 0.000 2.312 259 I HA 0.342 4.513 4.170 0.001 0.000 0.290 259 I C 0.105 176.099 176.117 -0.204 0.000 1.008 259 I CA -0.790 60.427 61.300 -0.138 0.000 1.226 259 I CB 0.627 38.542 38.000 -0.140 0.000 1.371 259 I HN 0.315 nan 8.210 nan 0.000 0.468 260 R N 4.959 125.218 120.500 -0.402 0.000 2.532 260 R HA 0.806 5.146 4.340 0.001 0.000 0.295 260 R C -0.434 175.595 176.300 -0.451 0.000 0.968 260 R CA -0.725 55.155 56.100 -0.366 0.000 0.916 260 R CB 2.003 32.126 30.300 -0.295 0.000 1.124 260 R HN 0.724 nan 8.270 nan 0.000 0.463 261 A N 3.740 126.370 122.820 -0.316 0.000 3.300 261 A HA 0.213 4.534 4.320 0.001 0.000 0.300 261 A C -0.276 177.128 177.584 -0.300 0.000 1.099 261 A CA -0.610 51.253 52.037 -0.290 0.000 0.846 261 A CB 0.196 18.985 19.000 -0.352 0.000 1.255 261 A HN 0.838 nan 8.150 nan 0.000 0.519 262 I N 1.247 121.714 120.570 -0.172 0.000 2.471 262 I HA 0.447 4.618 4.170 0.001 0.000 0.286 262 I C -2.381 173.756 176.117 0.034 0.000 1.079 262 I CA -1.646 59.593 61.300 -0.102 0.000 1.398 262 I CB 1.532 39.476 38.000 -0.093 0.000 1.403 262 I HN 0.213 nan 8.210 nan 0.000 0.530 263 P HA 0.131 nan 4.420 nan 0.000 0.276 263 P C -0.212 177.130 177.300 0.070 0.000 1.252 263 P CA -0.332 62.912 63.100 0.241 0.000 0.802 263 P CB 0.579 32.425 31.700 0.244 0.000 1.035 264 N N -0.487 118.227 118.700 0.024 0.000 2.270 264 N HA -0.046 4.694 4.740 0.001 0.000 0.181 264 N C 0.326 175.836 175.510 0.000 0.000 1.016 264 N CA 1.024 54.068 53.050 -0.011 0.000 0.870 264 N CB -0.696 37.770 38.487 -0.035 0.000 0.979 264 N HN 0.356 nan 8.380 nan 0.000 0.431 265 T N -1.236 113.325 114.554 0.012 0.000 2.887 265 T HA 0.607 4.957 4.350 0.001 0.000 0.288 265 T C 0.023 174.731 174.700 0.015 0.000 1.021 265 T CA 0.317 62.424 62.100 0.011 0.000 1.000 265 T CB 1.289 70.165 68.868 0.014 0.000 1.034 265 T HN 0.663 nan 8.240 nan 0.000 0.467 266 G N 1.676 110.477 108.800 0.001 0.000 2.337 266 G HA2 -0.023 3.937 3.960 0.001 0.000 0.197 266 G HA3 -0.023 3.937 3.960 0.001 0.000 0.197 266 G C -0.114 174.774 174.900 -0.020 0.000 1.238 266 G CA -0.116 44.979 45.100 -0.008 0.000 1.119 266 G HN 0.940 nan 8.290 nan 0.000 0.514 267 T N 1.271 115.808 114.554 -0.028 0.000 2.987 267 T HA 0.501 4.852 4.350 0.001 0.000 0.288 267 T C 0.809 175.480 174.700 -0.049 0.000 0.981 267 T CA 0.195 62.273 62.100 -0.037 0.000 1.031 267 T CB -1.333 67.513 68.868 -0.038 0.000 0.976 267 T HN 1.110 nan 8.240 nan 0.000 0.612 268 I N 2.507 123.048 120.570 -0.047 0.000 2.294 268 I HA 0.674 4.845 4.170 0.001 0.000 0.295 268 I C -0.116 175.957 176.117 -0.073 0.000 1.098 268 I CA -0.384 60.881 61.300 -0.060 0.000 1.277 268 I CB 0.391 38.362 38.000 -0.048 0.000 1.434 268 I HN 0.291 nan 8.210 nan 0.000 0.498 269 D N 3.269 123.610 120.400 -0.097 0.000 2.683 269 D HA 0.213 4.853 4.640 0.001 0.000 0.246 269 D C 0.324 176.525 176.300 -0.165 0.000 1.238 269 D CA -0.386 53.544 54.000 -0.116 0.000 0.759 269 D CB 2.385 43.126 40.800 -0.100 0.000 1.349 269 D HN 0.475 nan 8.370 nan 0.000 0.426 270 T N -0.612 113.821 114.554 -0.202 0.000 3.031 270 T HA 0.048 4.398 4.350 0.001 0.000 0.254 270 T C 1.158 175.682 174.700 -0.294 0.000 1.060 270 T CA 0.538 62.455 62.100 -0.305 0.000 1.135 270 T CB -0.119 68.519 68.868 -0.383 0.000 0.896 270 T HN 0.430 nan 8.240 nan 0.000 0.472 271 T N 1.076 115.511 114.554 -0.199 0.000 2.923 271 T HA 0.309 4.659 4.350 0.001 0.000 0.304 271 T C 1.460 176.071 174.700 -0.147 0.000 1.044 271 T CA 1.325 63.334 62.100 -0.152 0.000 1.141 271 T CB -0.275 68.534 68.868 -0.098 0.000 1.023 271 T HN 0.674 nan 8.240 nan 0.000 0.533 272 G N 2.748 111.473 108.800 -0.125 0.000 2.175 272 G HA2 -0.006 3.955 3.960 0.001 0.000 0.244 272 G HA3 -0.006 3.955 3.960 0.001 0.000 0.244 272 G C 1.154 175.977 174.900 -0.129 0.000 0.982 272 G CA 0.493 45.527 45.100 -0.110 0.000 0.641 272 G HN 2.234 nan 8.290 nan 0.000 0.527 273 G N -1.485 107.197 108.800 -0.197 0.000 2.160 273 G HA2 -0.070 3.891 3.960 0.001 0.000 0.251 273 G HA3 -0.070 3.891 3.960 0.001 0.000 0.251 273 G C 0.244 174.996 174.900 -0.246 0.000 1.008 273 G CA 0.659 45.608 45.100 -0.252 0.000 0.724 273 G HN 1.375 nan 8.290 nan 0.000 0.514 274 L N 0.043 121.120 121.223 -0.244 0.000 2.371 274 L HA 0.442 4.782 4.340 0.001 0.000 0.272 274 L C 1.177 177.911 176.870 -0.226 0.000 1.124 274 L CA 0.559 55.287 54.840 -0.187 0.000 0.816 274 L CB 0.565 42.537 42.059 -0.146 0.000 1.129 274 L HN 0.431 nan 8.230 nan 0.000 0.448 275 N N 0.465 119.059 118.700 -0.176 0.000 2.725 275 N HA -0.192 4.549 4.740 0.001 0.000 0.251 275 N C -0.884 174.482 175.510 -0.240 0.000 1.031 275 N CA 0.418 53.345 53.050 -0.204 0.000 0.720 275 N CB -0.767 37.592 38.487 -0.213 0.000 0.930 275 N HN 0.537 nan 8.380 nan 0.000 0.543 276 S N -0.593 114.987 115.700 -0.200 0.000 2.556 276 S HA 0.869 5.339 4.470 0.001 0.000 0.271 276 S C -0.718 173.892 174.600 0.016 0.000 1.135 276 S CA -0.315 57.785 58.200 -0.167 0.000 0.858 276 S CB 2.371 65.295 63.200 -0.460 0.000 1.114 276 S HN 0.478 nan 8.310 nan 0.000 0.468 277 A N 1.575 124.463 122.820 0.113 0.000 2.515 277 A HA 0.867 5.188 4.320 0.001 0.000 0.296 277 A C -1.237 176.451 177.584 0.174 0.000 1.094 277 A CA -0.731 51.383 52.037 0.129 0.000 0.718 277 A CB 0.782 19.800 19.000 0.029 0.000 1.307 277 A HN 0.746 nan 8.150 nan 0.000 0.408 278 I N 1.396 122.002 120.570 0.060 0.000 2.315 278 I HA 0.230 4.400 4.170 0.001 0.000 0.291 278 I C -0.592 175.476 176.117 -0.082 0.000 1.006 278 I CA -0.496 60.769 61.300 -0.059 0.000 1.265 278 I CB 1.291 39.215 38.000 -0.127 0.000 1.387 278 I HN 0.496 nan 8.210 nan 0.000 0.475 279 L N 8.147 129.314 121.223 -0.092 0.000 2.268 279 L HA 0.342 4.682 4.340 0.001 0.000 0.289 279 L C 0.036 176.871 176.870 -0.060 0.000 1.064 279 L CA 0.091 54.853 54.840 -0.130 0.000 0.824 279 L CB 0.163 42.109 42.059 -0.188 0.000 1.202 279 L HN 0.541 nan 8.230 nan 0.000 0.433 280 R N 4.260 124.706 120.500 -0.090 0.000 2.288 280 R HA 0.295 4.635 4.340 0.001 0.000 0.326 280 R C -1.329 174.964 176.300 -0.011 0.000 0.959 280 R CA -0.594 55.498 56.100 -0.013 0.000 0.834 280 R CB 0.532 30.813 30.300 -0.032 0.000 1.157 280 R HN 0.519 nan 8.270 nan 0.000 0.470 281 Y N 2.442 122.770 120.300 0.048 0.000 2.496 281 Y HA -0.024 4.526 4.550 0.001 0.000 0.334 281 Y C 1.024 176.946 175.900 0.036 0.000 1.080 281 Y CA 0.785 58.918 58.100 0.055 0.000 1.355 281 Y CB 1.179 39.705 38.460 0.109 0.000 1.193 281 Y HN 0.551 nan 8.280 nan 0.000 0.523 282 S N 3.130 118.928 115.700 0.163 0.000 2.737 282 S HA 0.243 4.713 4.470 0.001 0.000 0.315 282 S C 1.093 175.759 174.600 0.109 0.000 1.236 282 S CA 1.092 59.358 58.200 0.109 0.000 1.093 282 S CB -0.683 62.574 63.200 0.095 0.000 0.832 282 S HN 1.150 nan 8.310 nan 0.000 0.507 283 G N 2.991 111.835 108.800 0.073 0.000 2.284 283 G HA2 -0.042 3.918 3.960 0.001 0.000 0.201 283 G HA3 -0.042 3.918 3.960 0.001 0.000 0.201 283 G C 0.253 175.176 174.900 0.037 0.000 0.998 283 G CA -0.049 45.082 45.100 0.052 0.000 0.651 283 G HN 1.324 nan 8.290 nan 0.000 0.489 284 A N 0.334 123.183 122.820 0.049 0.000 2.313 284 A HA 0.587 4.908 4.320 0.001 0.000 0.261 284 A C 0.117 177.699 177.584 -0.004 0.000 1.090 284 A CA 0.464 52.512 52.037 0.018 0.000 0.807 284 A CB 0.134 19.151 19.000 0.028 0.000 1.055 284 A HN 0.382 nan 8.150 nan 0.000 0.492 285 D N 0.130 120.513 120.400 -0.028 0.000 2.414 285 D HA 0.277 4.918 4.640 0.001 0.000 0.242 285 D C 0.728 177.002 176.300 -0.044 0.000 1.129 285 D CA 0.243 54.222 54.000 -0.034 0.000 0.885 285 D CB 0.440 41.214 40.800 -0.042 0.000 1.198 285 D HN 0.479 nan 8.370 nan 0.000 0.437 286 I N -0.018 120.531 120.570 -0.034 0.000 2.749 286 I HA 0.060 4.230 4.170 0.001 0.000 0.283 286 I C -0.225 175.862 176.117 -0.051 0.000 0.993 286 I CA -0.370 60.907 61.300 -0.038 0.000 2.393 286 I CB -1.289 36.697 38.000 -0.023 0.000 1.549 286 I HN 0.004 nan 8.210 nan 0.000 1.045 287 V N -1.307 118.562 119.914 -0.076 0.000 3.103 287 V HA 0.590 4.711 4.120 0.001 0.000 0.318 287 V C -0.241 175.766 176.094 -0.146 0.000 1.114 287 V CA -0.872 61.373 62.300 -0.090 0.000 1.020 287 V CB 1.604 33.373 31.823 -0.089 0.000 1.085 287 V HN 0.130 nan 8.190 nan 0.000 0.446 288 D N 2.074 122.390 120.400 -0.141 0.000 2.350 288 D HA 0.451 5.092 4.640 0.001 0.000 0.249 288 D C -2.519 173.541 176.300 -0.400 0.000 1.119 288 D CA -1.057 52.797 54.000 -0.242 0.000 0.886 288 D CB 0.837 41.610 40.800 -0.044 0.000 1.195 288 D HN 0.521 nan 8.370 nan 0.000 0.437 289 P HA 0.011 nan 4.420 nan 0.000 0.265 289 P C 0.474 177.440 177.300 -0.557 0.000 1.187 289 P CA 0.135 62.680 63.100 -0.925 0.000 0.766 289 P CB 0.352 30.991 31.700 -1.768 0.000 0.820 290 T N -1.717 112.638 114.554 -0.332 0.000 3.174 290 T HA 0.504 4.855 4.350 0.001 0.000 0.269 290 T C 0.576 175.255 174.700 -0.037 0.000 1.017 290 T CA -0.459 61.585 62.100 -0.093 0.000 0.899 290 T CB -0.168 68.648 68.868 -0.086 0.000 1.077 290 T HN 0.413 nan 8.240 nan 0.000 0.552 291 A N 1.933 124.697 122.820 -0.092 0.000 2.407 291 A HA 0.601 4.922 4.320 0.001 0.000 0.248 291 A C 0.084 177.794 177.584 0.210 0.000 1.082 291 A CA -0.582 51.467 52.037 0.020 0.000 0.785 291 A CB 0.195 19.195 19.000 -0.001 0.000 1.020 291 A HN 0.475 nan 8.150 nan 0.000 0.489 292 N N 0.006 118.789 118.700 0.137 0.000 2.361 292 N HA 0.550 5.291 4.740 0.001 0.000 0.302 292 N C -0.543 175.017 175.510 0.084 0.000 1.074 292 N CA -0.131 52.983 53.050 0.107 0.000 0.850 292 N CB 1.990 40.509 38.487 0.054 0.000 1.228 292 N HN 0.772 nan 8.380 nan 0.000 0.491 293 A N 0.902 123.746 122.820 0.041 0.000 2.362 293 A HA 0.389 4.710 4.320 0.001 0.000 0.276 293 A C 0.647 178.227 177.584 -0.006 0.000 1.153 293 A CA -0.209 51.833 52.037 0.008 0.000 0.813 293 A CB 0.215 19.192 19.000 -0.038 0.000 1.081 293 A HN 0.534 nan 8.150 nan 0.000 0.507 294 T N 1.391 115.941 114.554 -0.006 0.000 2.881 294 T HA 0.474 4.825 4.350 0.001 0.000 0.278 294 T C 0.545 175.230 174.700 -0.025 0.000 0.982 294 T CA -0.186 61.906 62.100 -0.013 0.000 0.989 294 T CB 0.390 69.254 68.868 -0.007 0.000 1.058 294 T HN 0.630 nan 8.240 nan 0.000 0.529 295 T N 2.804 117.345 114.554 -0.023 0.000 2.916 295 T HA 0.194 4.544 4.350 0.001 0.000 0.303 295 T C 0.268 174.950 174.700 -0.029 0.000 1.025 295 T CA -0.049 62.035 62.100 -0.027 0.000 1.142 295 T CB 0.730 69.586 68.868 -0.021 0.000 0.947 295 T HN 0.600 nan 8.240 nan 0.000 0.544 296 S N 1.989 117.668 115.700 -0.036 0.000 2.455 296 S HA 0.200 4.670 4.470 0.001 0.000 0.278 296 S C 1.302 175.885 174.600 -0.027 0.000 1.216 296 S CA -0.919 57.258 58.200 -0.038 0.000 1.055 296 S CB -0.125 63.045 63.200 -0.049 0.000 0.939 296 S HN 0.544 nan 8.310 nan 0.000 0.494 297 V N 4.580 124.480 119.914 -0.023 0.000 2.949 297 V HA 0.279 4.400 4.120 0.001 0.000 0.245 297 V C 0.780 176.866 176.094 -0.014 0.000 1.086 297 V CA 0.484 62.775 62.300 -0.015 0.000 1.097 297 V CB -0.746 31.070 31.823 -0.012 0.000 0.762 297 V HN 0.890 nan 8.190 nan 0.000 0.470 298 I N 0.327 120.886 120.570 -0.018 0.000 2.692 298 I HA 0.554 4.725 4.170 0.001 0.000 0.285 298 I C -2.763 173.336 176.117 -0.029 0.000 1.191 298 I CA -2.107 59.184 61.300 -0.016 0.000 1.128 298 I CB 0.819 38.813 38.000 -0.010 0.000 1.585 298 I HN 0.053 nan 8.210 nan 0.000 0.558 299 P HA 0.217 nan 4.420 nan 0.000 0.280 299 P C -0.510 176.761 177.300 -0.047 0.000 1.272 299 P CA -0.708 62.363 63.100 -0.048 0.000 0.819 299 P CB 1.642 33.317 31.700 -0.041 0.000 1.122 300 L N 1.856 123.033 121.223 -0.077 0.000 2.500 300 L HA 0.140 4.481 4.340 0.001 0.000 0.272 300 L C -0.778 176.078 176.870 -0.023 0.000 1.149 300 L CA 0.209 55.003 54.840 -0.077 0.000 0.897 300 L CB -0.473 41.481 42.059 -0.175 0.000 1.178 300 L HN 0.031 nan 8.230 nan 0.000 0.473 301 V N 5.666 125.584 119.914 0.007 0.000 2.417 301 V HA 0.267 4.387 4.120 0.001 0.000 0.291 301 V C 1.123 177.253 176.094 0.061 0.000 1.024 301 V CA -0.591 61.731 62.300 0.036 0.000 0.861 301 V CB 1.202 33.044 31.823 0.031 0.000 0.985 301 V HN 0.883 nan 8.190 nan 0.000 0.436 302 E N 2.581 122.831 120.200 0.084 0.000 2.085 302 E HA -0.230 4.121 4.350 0.001 0.000 0.194 302 E C 1.928 178.581 176.600 0.089 0.000 0.994 302 E CA 1.803 58.266 56.400 0.105 0.000 0.801 302 E CB 0.123 29.890 29.700 0.112 0.000 0.743 302 E HN 0.854 nan 8.360 nan 0.000 0.453 303 T N -0.143 114.449 114.554 0.064 0.000 3.098 303 T HA -0.088 4.263 4.350 0.001 0.000 0.266 303 T C 0.762 175.500 174.700 0.063 0.000 1.145 303 T CA 1.162 63.294 62.100 0.053 0.000 1.092 303 T CB -0.115 68.769 68.868 0.026 0.000 0.908 303 T HN 0.131 nan 8.240 nan 0.000 0.526 304 D N 0.303 120.744 120.400 0.068 0.000 2.327 304 D HA 0.195 4.836 4.640 0.001 0.000 0.205 304 D C 0.506 176.864 176.300 0.097 0.000 0.989 304 D CA 0.135 54.177 54.000 0.070 0.000 0.873 304 D CB 0.046 40.879 40.800 0.055 0.000 0.955 304 D HN 0.397 nan 8.370 nan 0.000 0.515 305 L N 0.997 122.293 121.223 0.122 0.000 2.426 305 L HA 0.209 4.549 4.340 0.001 0.000 0.271 305 L C 0.114 177.124 176.870 0.234 0.000 1.169 305 L CA -0.381 54.567 54.840 0.179 0.000 0.836 305 L CB 1.160 43.319 42.059 0.167 0.000 1.112 305 L HN -0.171 nan 8.230 nan 0.000 0.465 306 V N 1.058 121.144 119.914 0.286 0.000 2.686 306 V HA 0.577 4.698 4.120 0.001 0.000 0.306 306 V C -2.691 173.435 176.094 0.054 0.000 1.065 306 V CA -2.550 59.864 62.300 0.190 0.000 0.894 306 V CB 1.575 33.462 31.823 0.106 0.000 1.004 306 V HN 0.458 nan 8.190 nan 0.000 0.424 307 P HA 0.175 nan 4.420 nan 0.000 0.269 307 P C 0.462 177.597 177.300 -0.275 0.000 1.215 307 P CA -0.173 62.479 63.100 -0.748 0.000 0.780 307 P CB 0.911 32.376 31.700 -0.391 0.000 0.898 308 L N 1.608 122.707 121.223 -0.207 0.000 2.102 308 L HA 0.177 4.517 4.340 0.001 0.000 0.202 308 L C 0.280 177.130 176.870 -0.033 0.000 1.076 308 L CA 2.014 56.837 54.840 -0.028 0.000 0.761 308 L CB -0.274 41.815 42.059 0.050 0.000 0.921 308 L HN 0.247 nan 8.230 nan 0.000 0.444 309 D N -0.979 119.395 120.400 -0.042 0.000 2.433 309 D HA 0.309 4.950 4.640 0.001 0.000 0.236 309 D C -0.091 176.199 176.300 -0.016 0.000 1.026 309 D CA 0.639 54.625 54.000 -0.022 0.000 0.884 309 D CB 1.878 42.670 40.800 -0.014 0.000 1.384 309 D HN 0.174 nan 8.370 nan 0.000 0.477 310 S N 0.375 116.074 115.700 -0.001 0.000 3.405 310 S HA -0.131 4.340 4.470 0.001 0.000 0.373 310 S C -1.599 173.013 174.600 0.020 0.000 0.939 310 S CA -0.083 58.126 58.200 0.015 0.000 1.295 310 S CB -1.290 61.923 63.200 0.023 0.000 0.919 310 S HN 0.435 nan 8.310 nan 0.000 0.535 311 P HA 0.157 nan 4.420 nan 0.000 0.222 311 P C 0.829 178.165 177.300 0.059 0.000 1.153 311 P CA 1.320 64.432 63.100 0.020 0.000 0.798 311 P CB -0.257 31.453 31.700 0.017 0.000 0.796 312 A N 0.585 123.443 122.820 0.064 0.000 2.498 312 A HA 0.423 4.743 4.320 0.001 0.000 0.239 312 A C 0.626 178.273 177.584 0.106 0.000 1.068 312 A CA 0.052 52.141 52.037 0.086 0.000 0.766 312 A CB -0.315 18.727 19.000 0.069 0.000 1.003 312 A HN 0.298 nan 8.150 nan 0.000 0.497 313 A N 4.234 127.139 122.820 0.143 0.000 2.354 313 A HA 0.655 4.975 4.320 0.001 0.000 0.269 313 A C -1.951 175.707 177.584 0.124 0.000 1.109 313 A CA -1.480 50.654 52.037 0.161 0.000 0.800 313 A CB -0.303 18.830 19.000 0.222 0.000 1.045 313 A HN 0.733 nan 8.150 nan 0.000 0.489 314 P HA 0.408 nan 4.420 nan 0.000 0.270 314 P C 0.552 177.866 177.300 0.025 0.000 1.223 314 P CA 1.323 64.454 63.100 0.052 0.000 0.785 314 P CB 0.381 32.105 31.700 0.041 0.000 0.923 315 G N 1.428 110.217 108.800 -0.018 0.000 2.756 315 G HA2 -0.114 3.846 3.960 0.001 0.000 0.678 315 G HA3 -0.114 3.846 3.960 0.001 0.000 0.678 315 G C -1.237 173.609 174.900 -0.090 0.000 1.349 315 G CA -0.762 44.303 45.100 -0.058 0.000 0.847 315 G HN 0.583 nan 8.290 nan 0.000 0.548 316 D N 0.983 121.296 120.400 -0.146 0.000 2.302 316 D HA 0.411 5.052 4.640 0.001 0.000 0.248 316 D C -1.843 174.216 176.300 -0.401 0.000 1.094 316 D CA -0.997 52.885 54.000 -0.196 0.000 0.897 316 D CB 1.181 41.879 40.800 -0.170 0.000 1.200 316 D HN 0.114 nan 8.370 nan 0.000 0.429 317 P HA 0.015 nan 4.420 nan 0.000 0.277 317 P C -0.618 176.187 177.300 -0.825 0.000 1.617 317 P CA 0.288 62.937 63.100 -0.751 0.000 0.829 317 P CB 0.083 31.675 31.700 -0.180 0.000 1.774 318 V N -1.023 118.428 119.914 -0.772 0.000 3.001 318 V HA 0.253 4.373 4.120 0.001 0.000 0.314 318 V C 0.287 176.152 176.094 -0.380 0.000 1.099 318 V CA -1.166 60.876 62.300 -0.430 0.000 0.989 318 V CB 2.556 34.235 31.823 -0.241 0.000 1.040 318 V HN -0.293 nan 8.190 nan 0.000 0.434 319 V N 2.757 122.540 119.914 -0.218 0.000 2.421 319 V HA 0.467 4.587 4.120 0.001 0.000 0.271 319 V C 1.354 177.362 176.094 -0.144 0.000 1.031 319 V CA 1.507 63.693 62.300 -0.191 0.000 1.032 319 V CB -0.220 31.467 31.823 -0.226 0.000 1.009 319 V HN 1.376 nan 8.190 nan 0.000 0.477 320 G N 4.452 113.182 108.800 -0.117 0.000 2.194 320 G HA2 -0.178 3.782 3.960 0.001 0.000 0.236 320 G HA3 -0.178 3.782 3.960 0.001 0.000 0.236 320 G C 0.784 175.620 174.900 -0.107 0.000 0.987 320 G CA -0.164 44.877 45.100 -0.098 0.000 0.635 320 G HN 1.358 nan 8.290 nan 0.000 0.520 321 G N 0.121 108.835 108.800 -0.143 0.000 3.084 321 G HA2 0.511 4.472 3.960 0.001 0.000 0.254 321 G HA3 0.511 4.472 3.960 0.001 0.000 0.254 321 G C -0.106 174.719 174.900 -0.126 0.000 0.834 321 G CA 0.830 45.840 45.100 -0.149 0.000 1.999 321 G HN 1.174 nan 8.290 nan 0.000 0.611 322 V N -0.444 119.408 119.914 -0.104 0.000 3.159 322 V HA 0.284 4.404 4.120 0.001 0.000 0.308 322 V C 0.264 176.299 176.094 -0.098 0.000 1.190 322 V CA -0.682 61.556 62.300 -0.102 0.000 1.037 322 V CB 2.186 33.946 31.823 -0.106 0.000 1.060 322 V HN 0.330 nan 8.190 nan 0.000 0.437 323 D N 1.363 121.700 120.400 -0.105 0.000 2.097 323 D HA 0.011 4.652 4.640 0.001 0.000 0.197 323 D C 0.308 176.553 176.300 -0.093 0.000 0.984 323 D CA 1.592 55.537 54.000 -0.091 0.000 0.826 323 D CB 0.434 41.182 40.800 -0.088 0.000 0.973 323 D HN 0.228 nan 8.370 nan 0.000 0.460 324 L N 0.523 121.671 121.223 -0.124 0.000 2.372 324 L HA 0.486 4.827 4.340 0.001 0.000 0.273 324 L C -1.298 175.490 176.870 -0.137 0.000 0.989 324 L CA -0.485 54.285 54.840 -0.115 0.000 0.841 324 L CB 1.657 43.650 42.059 -0.111 0.000 1.225 324 L HN -0.199 nan 8.230 nan 0.000 0.414 325 A N 6.202 128.956 122.820 -0.110 0.000 2.276 325 A HA 0.752 5.072 4.320 0.001 0.000 0.316 325 A C -0.716 176.799 177.584 -0.114 0.000 1.229 325 A CA -0.441 51.528 52.037 -0.112 0.000 0.851 325 A CB 1.074 20.017 19.000 -0.094 0.000 1.165 325 A HN 0.782 nan 8.150 nan 0.000 0.513 326 M N 3.384 122.901 119.600 -0.138 0.000 2.386 326 M HA 0.343 4.824 4.480 0.001 0.000 0.293 326 M C -1.238 174.937 176.300 -0.207 0.000 1.120 326 M CA -0.333 54.872 55.300 -0.157 0.000 0.909 326 M CB 1.733 34.242 32.600 -0.152 0.000 1.661 326 M HN 0.832 nan 8.290 nan 0.000 0.452 327 N N 4.083 122.657 118.700 -0.210 0.000 2.362 327 N HA 0.509 5.250 4.740 0.001 0.000 0.298 327 N C -1.979 173.351 175.510 -0.300 0.000 1.048 327 N CA -0.495 52.398 53.050 -0.262 0.000 0.858 327 N CB 1.338 39.709 38.487 -0.193 0.000 1.218 327 N HN 0.613 nan 8.380 nan 0.000 0.488 328 L N 2.764 123.722 121.223 -0.441 0.000 2.262 328 L HA 0.239 4.579 4.340 0.001 0.000 0.288 328 L C 0.253 176.715 176.870 -0.680 0.000 1.035 328 L CA -0.434 54.127 54.840 -0.465 0.000 0.820 328 L CB 0.996 42.797 42.059 -0.430 0.000 1.204 328 L HN 0.445 nan 8.230 nan 0.000 0.424 329 D N 3.340 123.548 120.400 -0.320 0.000 2.325 329 D HA 0.153 4.794 4.640 0.001 0.000 0.251 329 D C -0.668 175.646 176.300 0.022 0.000 1.196 329 D CA -0.111 53.768 54.000 -0.202 0.000 0.866 329 D CB 0.556 41.329 40.800 -0.044 0.000 1.101 329 D HN 0.021 nan 8.370 nan 0.000 0.476 330 F N 1.255 121.323 119.950 0.197 0.000 2.408 330 F HA 0.443 4.971 4.527 0.001 0.000 0.325 330 F C 1.086 177.030 175.800 0.240 0.000 1.082 330 F CA -0.857 57.321 58.000 0.297 0.000 1.032 330 F CB 1.430 40.624 39.000 0.323 0.000 1.259 330 F HN 0.288 nan 8.300 nan 0.000 0.503 331 S N 0.627 116.635 115.700 0.513 0.000 2.645 331 S HA 0.671 5.142 4.470 0.001 0.000 0.268 331 S C -1.905 172.935 174.600 0.400 0.000 1.110 331 S CA -0.935 57.482 58.200 0.362 0.000 0.823 331 S CB 1.434 64.790 63.200 0.260 0.000 1.091 331 S HN 0.605 nan 8.310 nan 0.000 0.466 332 F N 2.406 122.391 119.950 0.057 0.000 2.604 332 F HA 0.604 5.132 4.527 0.001 0.000 0.316 332 F C -0.183 175.588 175.800 -0.049 0.000 1.136 332 F CA -0.613 57.275 58.000 -0.188 0.000 0.989 332 F CB 2.024 40.684 39.000 -0.566 0.000 1.258 332 F HN 0.841 nan 8.300 nan 0.000 0.451 333 N N 3.035 121.382 118.700 -0.588 0.000 2.234 333 N HA 0.352 5.093 4.740 0.001 0.000 0.227 333 N C 0.830 176.030 175.510 -0.517 0.000 1.151 333 N CA 0.461 53.317 53.050 -0.324 0.000 0.865 333 N CB 1.056 39.553 38.487 0.017 0.000 1.066 333 N HN 1.055 nan 8.380 nan 0.000 0.515 334 G N 0.297 108.444 108.800 -1.090 0.000 2.493 334 G HA2 -0.339 3.622 3.960 0.001 0.000 0.206 334 G HA3 -0.339 3.622 3.960 0.001 0.000 0.206 334 G C 0.944 175.546 174.900 -0.496 0.000 1.109 334 G CA 0.615 45.369 45.100 -0.577 0.000 0.689 334 G HN 0.553 nan 8.290 nan 0.000 0.516 335 T N -2.030 112.228 114.554 -0.494 0.000 3.026 335 T HA 0.356 4.707 4.350 0.001 0.000 0.245 335 T C 0.637 175.245 174.700 -0.153 0.000 1.004 335 T CA 0.688 62.701 62.100 -0.146 0.000 1.069 335 T CB 0.454 69.267 68.868 -0.092 0.000 1.005 335 T HN 0.433 nan 8.240 nan 0.000 0.472 336 N N 0.473 118.888 118.700 -0.475 0.000 2.269 336 N HA 0.536 5.277 4.740 0.001 0.000 0.304 336 N C -1.680 173.423 175.510 -0.679 0.000 1.072 336 N CA -0.505 52.290 53.050 -0.426 0.000 0.802 336 N CB 1.943 40.136 38.487 -0.489 0.000 1.348 336 N HN 0.067 nan 8.380 nan 0.000 0.484 337 F N 1.016 120.782 119.950 -0.306 0.000 2.370 337 F HA 0.459 4.987 4.527 0.001 0.000 0.324 337 F C -0.021 175.502 175.800 -0.462 0.000 1.116 337 F CA 0.014 57.840 58.000 -0.290 0.000 1.123 337 F CB 0.624 39.299 39.000 -0.543 0.000 1.238 337 F HN 0.305 nan 8.300 nan 0.000 0.536 338 F N 2.348 122.508 119.950 0.349 0.000 2.561 338 F HA 0.529 5.057 4.527 0.001 0.000 0.313 338 F C -0.556 175.566 175.800 0.535 0.000 1.126 338 F CA -0.862 57.355 58.000 0.362 0.000 0.918 338 F CB 1.491 40.621 39.000 0.216 0.000 1.199 338 F HN 0.076 nan 8.300 nan 0.000 0.444 339 I N 2.905 123.889 120.570 0.690 0.000 2.382 339 I HA 0.284 4.455 4.170 0.001 0.000 0.286 339 I C -0.401 175.977 176.117 0.434 0.000 1.002 339 I CA -0.778 60.893 61.300 0.618 0.000 1.135 339 I CB 1.255 39.608 38.000 0.589 0.000 1.288 339 I HN 0.706 nan 8.210 nan 0.000 0.448 340 N N 4.820 123.708 118.700 0.314 0.000 2.696 340 N HA -0.272 4.469 4.740 0.001 0.000 0.256 340 N C 0.423 176.062 175.510 0.215 0.000 1.031 340 N CA 0.613 53.794 53.050 0.220 0.000 0.730 340 N CB -0.873 37.754 38.487 0.233 0.000 0.894 340 N HN 0.878 nan 8.380 nan 0.000 0.544 341 N N -0.935 117.881 118.700 0.193 0.000 2.778 341 N HA -0.234 4.506 4.740 0.001 0.000 0.249 341 N C -1.035 174.573 175.510 0.163 0.000 1.069 341 N CA 2.190 55.280 53.050 0.067 0.000 0.831 341 N CB -0.333 38.157 38.487 0.006 0.000 1.142 341 N HN 0.772 nan 8.380 nan 0.000 0.573 342 E N -1.129 119.297 120.200 0.377 0.000 2.343 342 E HA 0.518 4.869 4.350 0.001 0.000 0.270 342 E C -0.983 175.940 176.600 0.537 0.000 0.895 342 E CA -0.684 55.987 56.400 0.452 0.000 0.767 342 E CB 1.837 31.690 29.700 0.255 0.000 1.248 342 E HN 0.160 nan 8.360 nan 0.000 0.440 343 T N 1.468 116.257 114.554 0.392 0.000 2.855 343 T HA 0.427 4.778 4.350 0.001 0.000 0.281 343 T C -0.935 173.843 174.700 0.131 0.000 1.007 343 T CA -0.685 61.489 62.100 0.123 0.000 1.009 343 T CB 0.638 69.344 68.868 -0.270 0.000 0.983 343 T HN 0.350 nan 8.240 nan 0.000 0.455 344 L N 7.269 128.575 121.223 0.139 0.000 2.342 344 L HA 0.479 4.819 4.340 0.001 0.000 0.285 344 L C 0.143 177.069 176.870 0.093 0.000 1.095 344 L CA -0.425 54.499 54.840 0.140 0.000 0.843 344 L CB -0.049 42.142 42.059 0.219 0.000 1.201 344 L HN 0.608 nan 8.230 nan 0.000 0.445 345 I N 4.382 124.986 120.570 0.056 0.000 2.306 345 I HA 0.477 4.648 4.170 0.001 0.000 0.288 345 I C -2.397 173.707 176.117 -0.020 0.000 1.036 345 I CA -2.199 59.108 61.300 0.011 0.000 1.221 345 I CB 0.781 38.779 38.000 -0.004 0.000 1.385 345 I HN 0.395 nan 8.210 nan 0.000 0.472 346 P HA 0.204 nan 4.420 nan 0.000 0.264 346 P C -2.298 174.853 177.300 -0.247 0.000 1.193 346 P CA -0.413 62.630 63.100 -0.094 0.000 0.763 346 P CB 0.044 31.693 31.700 -0.085 0.000 0.810 347 P HA 0.063 nan 4.420 nan 0.000 0.274 347 P C 0.439 177.636 177.300 -0.171 0.000 1.237 347 P CA -0.092 62.935 63.100 -0.123 0.000 0.793 347 P CB 0.700 32.379 31.700 -0.036 0.000 0.977 348 T N -0.457 114.042 114.554 -0.093 0.000 2.821 348 T HA 0.014 4.364 4.350 0.001 0.000 0.267 348 T C 0.905 175.662 174.700 0.094 0.000 1.046 348 T CA 0.919 63.003 62.100 -0.027 0.000 1.139 348 T CB -0.176 68.691 68.868 -0.002 0.000 0.871 348 T HN 0.229 nan 8.240 nan 0.000 0.454 349 V N 3.211 123.163 119.914 0.063 0.000 2.398 349 V HA 0.334 4.454 4.120 0.001 0.000 0.286 349 V C -2.527 173.614 176.094 0.079 0.000 1.026 349 V CA -2.693 59.647 62.300 0.066 0.000 0.868 349 V CB 1.305 33.148 31.823 0.032 0.000 0.982 349 V HN 0.052 nan 8.190 nan 0.000 0.443 350 P HA 0.050 nan 4.420 nan 0.000 0.265 350 P C 1.196 178.517 177.300 0.035 0.000 1.193 350 P CA 0.191 63.325 63.100 0.057 0.000 0.765 350 P CB 0.689 32.398 31.700 0.014 0.000 0.823 351 V N 3.923 123.827 119.914 -0.017 0.000 2.277 351 V HA -0.296 3.825 4.120 0.001 0.000 0.253 351 V C 2.227 178.312 176.094 -0.015 0.000 1.067 351 V CA 1.906 64.179 62.300 -0.044 0.000 1.047 351 V CB -1.138 30.612 31.823 -0.120 0.000 0.649 351 V HN 0.616 nan 8.190 nan 0.000 0.447 352 L N -1.037 120.186 121.223 0.002 0.000 1.956 352 L HA -0.241 4.100 4.340 0.001 0.000 0.216 352 L C 2.476 179.430 176.870 0.141 0.000 1.073 352 L CA 2.147 57.013 54.840 0.043 0.000 0.762 352 L CB -0.384 41.743 42.059 0.113 0.000 0.889 352 L HN 0.358 nan 8.230 nan 0.000 0.433 353 L N -0.051 121.332 121.223 0.267 0.000 2.081 353 L HA -0.299 4.041 4.340 0.001 0.000 0.212 353 L C 2.542 179.490 176.870 0.131 0.000 1.080 353 L CA 1.750 56.756 54.840 0.276 0.000 0.754 353 L CB -0.588 41.562 42.059 0.152 0.000 0.893 353 L HN 0.347 nan 8.230 nan 0.000 0.433 354 Q N -0.878 118.969 119.800 0.078 0.000 2.135 354 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 354 Q C 2.214 178.238 176.000 0.041 0.000 0.981 354 Q CA 2.007 57.837 55.803 0.045 0.000 0.856 354 Q CB -0.169 28.583 28.738 0.023 0.000 0.902 354 Q HN 0.602 nan 8.270 nan 0.000 0.425 355 I N 0.073 120.666 120.570 0.039 0.000 2.286 355 I HA -0.231 3.939 4.170 0.001 0.000 0.245 355 I C 1.894 178.033 176.117 0.038 0.000 1.104 355 I CA 0.825 62.142 61.300 0.028 0.000 1.397 355 I CB -0.159 37.846 38.000 0.008 0.000 1.072 355 I HN 0.158 nan 8.210 nan 0.000 0.417 356 L N 0.131 121.389 121.223 0.059 0.000 2.456 356 L HA -0.096 4.245 4.340 0.001 0.000 0.224 356 L C 2.209 179.119 176.870 0.066 0.000 1.148 356 L CA 0.776 55.656 54.840 0.067 0.000 0.825 356 L CB -0.328 41.797 42.059 0.111 0.000 0.937 356 L HN 0.123 nan 8.230 nan 0.000 0.450 357 S N -0.936 114.801 115.700 0.061 0.000 2.524 357 S HA 0.217 4.687 4.470 0.001 0.000 0.216 357 S C 1.440 176.061 174.600 0.034 0.000 0.987 357 S CA 0.729 58.958 58.200 0.047 0.000 0.909 357 S CB 0.644 63.870 63.200 0.043 0.000 0.781 357 S HN 0.618 nan 8.310 nan 0.000 0.521 358 G N 0.738 109.558 108.800 0.032 0.000 2.273 358 G HA2 -0.023 3.937 3.960 0.001 0.000 0.162 358 G HA3 -0.023 3.937 3.960 0.001 0.000 0.162 358 G C 0.119 175.033 174.900 0.024 0.000 1.006 358 G CA -0.312 44.804 45.100 0.026 0.000 0.704 358 G HN 0.677 nan 8.290 nan 0.000 0.487 359 A N 0.192 123.026 122.820 0.024 0.000 2.477 359 A HA 0.673 4.993 4.320 0.001 0.000 0.246 359 A C 1.082 178.679 177.584 0.022 0.000 1.078 359 A CA 1.041 53.090 52.037 0.021 0.000 0.770 359 A CB 0.514 19.525 19.000 0.018 0.000 1.011 359 A HN 0.274 nan 8.150 nan 0.000 0.494 360 Q N 0.591 120.405 119.800 0.024 0.000 2.570 360 Q HA 0.087 4.428 4.340 0.001 0.000 0.222 360 Q C 0.960 176.980 176.000 0.034 0.000 0.769 360 Q CA 0.904 56.725 55.803 0.029 0.000 0.934 360 Q CB -0.361 28.395 28.738 0.030 0.000 1.309 360 Q HN 0.916 nan 8.270 nan 0.000 0.565 361 S N 0.191 115.909 115.700 0.030 0.000 2.617 361 S HA 0.506 4.977 4.470 0.001 0.000 0.269 361 S C 1.123 175.741 174.600 0.029 0.000 1.292 361 S CA 0.147 58.367 58.200 0.034 0.000 1.010 361 S CB 1.586 64.804 63.200 0.030 0.000 0.944 361 S HN 0.278 nan 8.310 nan 0.000 0.536 362 A N 1.907 124.748 122.820 0.035 0.000 1.972 362 A HA -0.046 4.274 4.320 0.001 0.000 0.219 362 A C 2.454 180.034 177.584 -0.006 0.000 1.169 362 A CA 1.908 53.953 52.037 0.015 0.000 0.635 362 A CB -1.689 17.331 19.000 0.033 0.000 0.810 362 A HN 1.391 nan 8.150 nan 0.000 0.446 363 S N 0.102 115.808 115.700 0.009 0.000 2.383 363 S HA -0.189 4.281 4.470 0.001 0.000 0.229 363 S C 1.218 175.818 174.600 0.000 0.000 1.030 363 S CA 1.572 59.775 58.200 0.005 0.000 1.002 363 S CB -0.419 62.789 63.200 0.014 0.000 0.829 363 S HN 0.541 nan 8.310 nan 0.000 0.467 364 D N 0.950 121.353 120.400 0.004 0.000 2.348 364 D HA 0.287 4.928 4.640 0.001 0.000 0.211 364 D C 0.377 176.677 176.300 -0.000 0.000 0.998 364 D CA 0.145 54.148 54.000 0.005 0.000 0.873 364 D CB 0.005 40.811 40.800 0.011 0.000 0.925 364 D HN 0.413 nan 8.370 nan 0.000 0.524 365 L N 0.986 122.205 121.223 -0.007 0.000 2.375 365 L HA 0.338 4.679 4.340 0.001 0.000 0.271 365 L C -0.007 176.847 176.870 -0.026 0.000 1.107 365 L CA -0.448 54.383 54.840 -0.015 0.000 0.806 365 L CB 1.236 43.284 42.059 -0.018 0.000 1.146 365 L HN -0.285 nan 8.230 nan 0.000 0.447 366 L N 3.934 125.143 121.223 -0.023 0.000 2.342 366 L HA 0.567 4.908 4.340 0.001 0.000 0.271 366 L C -2.235 174.616 176.870 -0.032 0.000 1.008 366 L CA -1.885 52.940 54.840 -0.025 0.000 0.818 366 L CB 1.974 44.022 42.059 -0.017 0.000 1.296 366 L HN 0.377 nan 8.230 nan 0.000 0.427 367 P HA 0.038 nan 4.420 nan 0.000 0.274 367 P C -0.465 176.816 177.300 -0.032 0.000 1.231 367 P CA -0.306 62.781 63.100 -0.021 0.000 0.790 367 P CB 1.037 32.736 31.700 -0.002 0.000 0.951 368 T N 0.144 114.685 114.554 -0.022 0.000 2.901 368 T HA 0.397 4.748 4.350 0.001 0.000 0.301 368 T C 1.230 175.909 174.700 -0.035 0.000 1.012 368 T CA 1.050 63.131 62.100 -0.031 0.000 1.135 368 T CB -1.081 67.779 68.868 -0.013 0.000 0.936 368 T HN 0.792 nan 8.240 nan 0.000 0.539 369 G N 3.155 111.905 108.800 -0.084 0.000 2.143 369 G HA2 -0.237 3.724 3.960 0.001 0.000 0.249 369 G HA3 -0.237 3.724 3.960 0.001 0.000 0.249 369 G C 0.640 175.431 174.900 -0.182 0.000 0.981 369 G CA 0.519 45.562 45.100 -0.094 0.000 0.665 369 G HN 0.931 nan 8.290 nan 0.000 0.528 370 S N -1.745 113.800 115.700 -0.258 0.000 2.679 370 S HA 0.330 4.801 4.470 0.001 0.000 0.258 370 S C 0.422 174.824 174.600 -0.331 0.000 1.068 370 S CA 0.472 58.546 58.200 -0.211 0.000 1.115 370 S CB 1.420 64.622 63.200 0.003 0.000 1.078 370 S HN 0.565 nan 8.310 nan 0.000 0.603 371 V N 3.298 122.994 119.914 -0.364 0.000 2.350 371 V HA 0.435 4.555 4.120 0.001 0.000 0.276 371 V C -1.163 174.745 176.094 -0.311 0.000 1.028 371 V CA -0.451 61.710 62.300 -0.230 0.000 0.860 371 V CB -0.016 31.741 31.823 -0.109 0.000 0.990 371 V HN 0.351 nan 8.190 nan 0.000 0.453 372 Y N 1.918 122.283 120.300 0.108 0.000 2.360 372 Y HA 0.460 5.011 4.550 0.001 0.000 0.337 372 Y C 1.036 177.090 175.900 0.256 0.000 1.039 372 Y CA -0.597 57.622 58.100 0.197 0.000 1.109 372 Y CB 1.702 40.333 38.460 0.284 0.000 1.201 372 Y HN 0.517 nan 8.280 nan 0.000 0.458 373 T N 4.901 119.647 114.554 0.320 0.000 2.856 373 T HA 0.429 4.779 4.350 0.001 0.000 0.292 373 T C -0.808 174.035 174.700 0.237 0.000 0.980 373 T CA -0.383 61.858 62.100 0.235 0.000 1.091 373 T CB 0.394 69.353 68.868 0.152 0.000 0.936 373 T HN 0.161 nan 8.240 nan 0.000 0.503 374 L N 5.976 127.323 121.223 0.207 0.000 2.362 374 L HA 0.539 4.879 4.340 0.001 0.000 0.275 374 L C -2.160 174.772 176.870 0.104 0.000 0.998 374 L CA -2.413 52.506 54.840 0.132 0.000 0.820 374 L CB 1.892 44.020 42.059 0.115 0.000 1.270 374 L HN 0.396 nan 8.230 nan 0.000 0.415 375 P HA 0.266 nan 4.420 nan 0.000 0.281 375 P C -0.023 177.313 177.300 0.060 0.000 1.249 375 P CA -0.587 62.548 63.100 0.058 0.000 0.810 375 P CB 1.499 33.218 31.700 0.032 0.000 1.008 376 L N 1.786 123.054 121.223 0.075 0.000 2.420 376 L HA 0.048 4.388 4.340 0.001 0.000 0.198 376 L C 1.636 178.538 176.870 0.054 0.000 1.165 376 L CA 0.361 55.255 54.840 0.090 0.000 0.863 376 L CB -0.694 41.424 42.059 0.099 0.000 1.371 376 L HN 0.449 nan 8.230 nan 0.000 0.536 377 N N -1.045 117.694 118.700 0.065 0.000 2.537 377 N HA -0.228 4.512 4.740 0.001 0.000 0.242 377 N C -0.529 174.981 175.510 0.001 0.000 1.219 377 N CA 0.973 54.045 53.050 0.037 0.000 0.747 377 N CB -0.477 38.030 38.487 0.033 0.000 1.127 377 N HN 0.601 nan 8.380 nan 0.000 0.565 378 S N -2.084 113.603 115.700 -0.021 0.000 2.617 378 S HA 0.604 5.075 4.470 0.001 0.000 0.283 378 S C 0.142 174.662 174.600 -0.133 0.000 1.189 378 S CA -0.200 57.960 58.200 -0.066 0.000 1.036 378 S CB 1.776 64.936 63.200 -0.066 0.000 1.014 378 S HN 0.284 nan 8.310 nan 0.000 0.522 379 T N 0.494 114.957 114.554 -0.153 0.000 2.767 379 T HA 0.665 5.016 4.350 0.001 0.000 0.284 379 T C -0.504 174.015 174.700 -0.301 0.000 0.973 379 T CA -0.625 61.344 62.100 -0.218 0.000 0.996 379 T CB 0.152 68.940 68.868 -0.133 0.000 0.927 379 T HN 0.473 nan 8.240 nan 0.000 0.456 380 I N 2.407 122.659 120.570 -0.530 0.000 2.404 380 I HA 0.401 4.571 4.170 0.001 0.000 0.293 380 I C 0.128 176.000 176.117 -0.409 0.000 0.992 380 I CA -0.555 60.401 61.300 -0.575 0.000 1.149 380 I CB 1.911 39.374 38.000 -0.894 0.000 1.315 380 I HN 0.780 nan 8.210 nan 0.000 0.446 381 E N 6.991 127.058 120.200 -0.221 0.000 2.145 381 E HA 0.539 4.889 4.350 0.001 0.000 0.262 381 E C -1.617 174.913 176.600 -0.118 0.000 0.883 381 E CA -0.512 55.825 56.400 -0.104 0.000 0.748 381 E CB 0.960 30.624 29.700 -0.059 0.000 1.140 381 E HN 0.505 nan 8.360 nan 0.000 0.417 382 L N 3.171 124.327 121.223 -0.111 0.000 2.329 382 L HA 0.478 4.818 4.340 0.001 0.000 0.279 382 L C -0.419 176.189 176.870 -0.436 0.000 1.014 382 L CA -0.731 53.940 54.840 -0.283 0.000 0.814 382 L CB 1.952 43.851 42.059 -0.266 0.000 1.257 382 L HN 0.521 nan 8.230 nan 0.000 0.424 383 S N 1.284 116.643 115.700 -0.568 0.000 2.502 383 S HA 0.653 5.124 4.470 0.001 0.000 0.304 383 S C -0.836 173.360 174.600 -0.675 0.000 1.097 383 S CA -0.642 57.279 58.200 -0.466 0.000 1.045 383 S CB 0.980 64.050 63.200 -0.216 0.000 1.019 383 S HN 0.336 nan 8.310 nan 0.000 0.481 384 F N 2.929 122.787 119.950 -0.154 0.000 2.334 384 F HA 0.395 4.922 4.527 0.001 0.000 0.343 384 F C -2.451 173.331 175.800 -0.029 0.000 1.136 384 F CA -2.280 55.630 58.000 -0.150 0.000 1.237 384 F CB 1.122 40.036 39.000 -0.144 0.000 1.525 384 F HN 0.336 nan 8.300 nan 0.000 0.528 385 P HA 0.140 nan 4.420 nan 0.000 0.282 385 P C -0.232 177.193 177.300 0.208 0.000 1.274 385 P CA -0.157 62.975 63.100 0.054 0.000 0.770 385 P CB 1.309 32.985 31.700 -0.040 0.000 0.867 386 I N 4.334 125.049 120.570 0.241 0.000 2.278 386 I HA 0.125 4.295 4.170 0.001 0.000 0.296 386 I C 1.049 177.261 176.117 0.159 0.000 1.121 386 I CA 0.022 61.474 61.300 0.252 0.000 1.267 386 I CB -0.508 37.625 38.000 0.221 0.000 1.447 386 I HN 0.295 nan 8.210 nan 0.000 0.509 387 T N 0.449 115.091 114.554 0.148 0.000 2.867 387 T HA 0.171 4.522 4.350 0.001 0.000 0.282 387 T C 1.086 175.840 174.700 0.090 0.000 1.000 387 T CA -0.564 61.594 62.100 0.097 0.000 1.042 387 T CB 2.067 70.980 68.868 0.075 0.000 0.973 387 T HN 0.517 nan 8.240 nan 0.000 0.465 388 T N 2.164 116.759 114.554 0.068 0.000 3.051 388 T HA 0.089 4.440 4.350 0.001 0.000 0.269 388 T C 1.012 175.742 174.700 0.050 0.000 1.127 388 T CA 0.744 62.878 62.100 0.057 0.000 1.107 388 T CB -1.124 67.772 68.868 0.045 0.000 0.898 388 T HN 0.769 nan 8.240 nan 0.000 0.517 389 V N 1.336 121.280 119.914 0.049 0.000 1.880 389 V HA -0.309 3.811 4.120 0.001 0.000 0.263 389 V C 1.598 177.711 176.094 0.031 0.000 0.812 389 V CA 0.951 63.276 62.300 0.041 0.000 2.918 389 V CB -1.362 30.488 31.823 0.046 0.000 1.136 389 V HN 0.459 nan 8.190 nan 0.000 0.243 390 N N 1.368 120.084 118.700 0.026 0.000 2.142 390 N HA 0.030 4.771 4.740 0.001 0.000 0.186 390 N C 1.131 176.653 175.510 0.020 0.000 1.023 390 N CA 2.445 55.507 53.050 0.020 0.000 0.852 390 N CB 0.061 38.558 38.487 0.016 0.000 0.998 390 N HN 1.228 nan 8.380 nan 0.000 0.424 391 G N -2.079 106.735 108.800 0.023 0.000 4.406 391 G HA2 0.129 4.089 3.960 0.001 0.000 0.212 391 G HA3 0.129 4.089 3.960 0.001 0.000 0.212 391 G C 0.668 175.583 174.900 0.025 0.000 0.941 391 G CA 0.204 45.317 45.100 0.022 0.000 0.821 391 G HN 0.124 nan 8.290 nan 0.000 0.429 392 V N -0.213 119.720 119.914 0.031 0.000 2.426 392 V HA 0.214 4.335 4.120 0.001 0.000 0.242 392 V C 1.502 177.622 176.094 0.045 0.000 1.036 392 V CA 1.424 63.745 62.300 0.036 0.000 1.044 392 V CB -0.507 31.340 31.823 0.039 0.000 0.688 392 V HN 0.617 nan 8.190 nan 0.000 0.462 393 T N 3.329 117.915 114.554 0.053 0.000 1.190 393 T HA -0.147 4.203 4.350 0.001 0.000 0.698 393 T C -0.035 174.714 174.700 0.082 0.000 0.975 393 T CA 0.347 62.487 62.100 0.067 0.000 3.698 393 T CB -1.094 67.808 68.868 0.057 0.000 2.099 393 T HN 0.880 nan 8.240 nan 0.000 0.381 394 N N 3.804 122.574 118.700 0.117 0.000 2.467 394 N HA 0.530 5.271 4.740 0.001 0.000 0.262 394 N C 0.557 176.159 175.510 0.153 0.000 1.234 394 N CA 0.076 53.219 53.050 0.155 0.000 0.952 394 N CB 0.513 39.128 38.487 0.214 0.000 1.158 394 N HN 1.874 nan 8.380 nan 0.000 0.463 395 A N -1.259 121.636 122.820 0.124 0.000 2.303 395 A HA -0.107 4.214 4.320 0.001 0.000 0.286 395 A C -2.217 175.402 177.584 0.058 0.000 1.429 395 A CA 0.030 52.086 52.037 0.032 0.000 0.738 395 A CB -2.179 16.756 19.000 -0.109 0.000 1.149 395 A HN 0.793 nan 8.150 nan 0.000 0.364 396 P HA 0.461 nan 4.420 nan 0.000 0.274 396 P C 1.100 178.369 177.300 -0.052 0.000 1.256 396 P CA 1.283 64.321 63.100 -0.103 0.000 0.795 396 P CB 0.569 32.114 31.700 -0.259 0.000 1.038 397 G N -1.523 107.237 108.800 -0.066 0.000 2.132 397 G HA2 -0.065 3.896 3.960 0.001 0.000 0.234 397 G HA3 -0.065 3.896 3.960 0.001 0.000 0.234 397 G C 0.414 175.136 174.900 -0.296 0.000 0.989 397 G CA 0.046 45.093 45.100 -0.088 0.000 0.676 397 G HN 0.821 nan 8.290 nan 0.000 0.522 398 A N 0.539 123.255 122.820 -0.173 0.000 2.429 398 A HA 0.649 4.969 4.320 0.001 0.000 0.242 398 A C -0.737 176.778 177.584 -0.115 0.000 1.088 398 A CA -0.009 51.898 52.037 -0.217 0.000 0.784 398 A CB 0.093 19.148 19.000 0.091 0.000 1.038 398 A HN 0.399 nan 8.150 nan 0.000 0.501 399 P HA 0.268 nan 4.420 nan 0.000 0.277 399 P C -1.057 176.159 177.300 -0.140 0.000 1.240 399 P CA -0.028 63.062 63.100 -0.017 0.000 0.798 399 P CB 0.529 32.285 31.700 0.092 0.000 0.979 400 H N 2.223 121.327 119.070 0.056 0.000 2.541 400 H HA 0.280 4.836 4.556 0.001 0.000 0.316 400 H C -2.126 173.224 175.328 0.037 0.000 1.043 400 H CA -1.908 54.198 56.048 0.097 0.000 1.232 400 H CB 1.441 31.313 29.762 0.183 0.000 1.406 400 H HN 0.268 nan 8.280 nan 0.000 0.469 401 P HA 0.135 nan 4.420 nan 0.000 0.283 401 P C -0.487 176.833 177.300 0.033 0.000 1.412 401 P CA -0.438 62.678 63.100 0.028 0.000 0.912 401 P CB -0.165 31.569 31.700 0.057 0.000 1.132 402 F N 3.315 123.129 119.950 -0.228 0.000 2.456 402 F HA 0.258 4.786 4.527 0.001 0.000 0.358 402 F C 1.319 177.081 175.800 -0.064 0.000 1.095 402 F CA 0.513 58.322 58.000 -0.319 0.000 1.216 402 F CB 0.413 38.900 39.000 -0.855 0.000 1.125 402 F HN 0.400 nan 8.300 nan 0.000 0.549 403 H N 4.245 123.254 119.070 -0.102 0.000 2.538 403 H HA 0.551 5.108 4.556 0.001 0.000 0.353 403 H C -1.707 173.615 175.328 -0.011 0.000 1.109 403 H CA -0.906 55.164 56.048 0.036 0.000 1.192 403 H CB 1.325 31.152 29.762 0.109 0.000 1.555 403 H HN 0.656 nan 8.280 nan 0.000 0.518 404 L N 6.046 127.109 121.223 -0.267 0.000 2.305 404 L HA 0.327 4.667 4.340 0.001 0.000 0.284 404 L C -0.321 176.198 176.870 -0.585 0.000 1.013 404 L CA -0.730 53.948 54.840 -0.270 0.000 0.819 404 L CB 0.522 42.578 42.059 -0.005 0.000 1.227 404 L HN 0.767 nan 8.230 nan 0.000 0.417 405 H N 3.725 122.480 119.070 -0.525 0.000 2.764 405 H HA 0.065 4.621 4.556 0.001 0.000 0.341 405 H C 0.994 175.993 175.328 -0.548 0.000 1.072 405 H CA 0.943 56.761 56.048 -0.384 0.000 1.444 405 H CB 1.249 31.001 29.762 -0.016 0.000 1.458 405 H HN 0.961 nan 8.280 nan 0.000 0.572 406 G N 2.692 111.018 108.800 -0.789 0.000 2.166 406 G HA2 -0.231 3.729 3.960 0.001 0.000 0.260 406 G HA3 -0.231 3.729 3.960 0.001 0.000 0.260 406 G C 0.008 174.051 174.900 -1.429 0.000 0.986 406 G CA 0.265 44.460 45.100 -1.508 0.000 0.683 406 G HN 0.788 nan 8.290 nan 0.000 0.527 407 H N -1.024 117.540 119.070 -0.842 0.000 2.980 407 H HA 0.681 5.238 4.556 0.001 0.000 0.367 407 H C -0.229 174.760 175.328 -0.565 0.000 1.206 407 H CA -0.088 55.631 56.048 -0.549 0.000 1.126 407 H CB 1.966 31.494 29.762 -0.389 0.000 1.838 407 H HN 0.657 nan 8.280 nan 0.000 0.552 408 A N 2.459 125.229 122.820 -0.083 0.000 2.310 408 A HA 0.525 4.845 4.320 0.001 0.000 0.304 408 A C -0.784 176.833 177.584 0.055 0.000 1.231 408 A CA -0.682 51.277 52.037 -0.129 0.000 0.799 408 A CB -0.327 18.725 19.000 0.086 0.000 1.162 408 A HN 0.438 nan 8.150 nan 0.000 0.486 409 F N 1.526 121.558 119.950 0.137 0.000 2.403 409 F HA 0.729 5.257 4.527 0.001 0.000 0.326 409 F C 0.635 176.558 175.800 0.204 0.000 1.081 409 F CA -1.123 57.005 58.000 0.213 0.000 1.041 409 F CB 1.122 40.235 39.000 0.187 0.000 1.234 409 F HN 0.391 nan 8.300 nan 0.000 0.503 410 S N 0.963 116.938 115.700 0.458 0.000 2.410 410 S HA 0.499 4.969 4.470 0.001 0.000 0.304 410 S C -0.681 174.141 174.600 0.371 0.000 1.095 410 S CA -0.789 57.615 58.200 0.340 0.000 1.089 410 S CB 0.416 63.768 63.200 0.254 0.000 0.968 410 S HN 0.641 nan 8.310 nan 0.000 0.480 411 V N 5.766 125.899 119.914 0.365 0.000 2.377 411 V HA 0.020 4.141 4.120 0.001 0.000 0.254 411 V C 1.633 177.824 176.094 0.161 0.000 1.060 411 V CA -0.028 62.447 62.300 0.291 0.000 1.068 411 V CB -0.410 31.582 31.823 0.282 0.000 1.113 411 V HN 0.934 nan 8.190 nan 0.000 0.484 412 V N 1.903 121.896 119.914 0.133 0.000 2.591 412 V HA 0.146 4.267 4.120 0.001 0.000 0.249 412 V C 1.103 177.149 176.094 -0.079 0.000 1.053 412 V CA 0.866 63.187 62.300 0.034 0.000 1.068 412 V CB -0.281 31.579 31.823 0.062 0.000 0.689 412 V HN 0.684 nan 8.190 nan 0.000 0.462 413 R N 0.906 121.351 120.500 -0.092 0.000 2.451 413 R HA 0.522 4.863 4.340 0.001 0.000 0.307 413 R C -0.846 175.381 176.300 -0.123 0.000 0.965 413 R CA -0.048 55.890 56.100 -0.270 0.000 0.865 413 R CB 1.965 31.890 30.300 -0.624 0.000 1.174 413 R HN 0.490 nan 8.270 nan 0.000 0.455 414 S N 1.512 117.156 115.700 -0.093 0.000 2.669 414 S HA 0.512 4.983 4.470 0.001 0.000 0.270 414 S C -0.088 174.488 174.600 -0.040 0.000 1.225 414 S CA -0.549 57.633 58.200 -0.030 0.000 0.991 414 S CB 1.475 64.677 63.200 0.004 0.000 0.987 414 S HN 0.713 nan 8.310 nan 0.000 0.552 415 A N 0.278 123.086 122.820 -0.020 0.000 2.445 415 A HA 0.530 4.851 4.320 0.001 0.000 0.242 415 A C 1.407 178.994 177.584 0.004 0.000 1.075 415 A CA 0.205 52.233 52.037 -0.014 0.000 0.777 415 A CB -0.999 17.983 19.000 -0.031 0.000 1.013 415 A HN 1.778 nan 8.150 nan 0.000 0.493 416 G N -0.209 108.595 108.800 0.007 0.000 2.162 416 G HA2 -0.085 3.876 3.960 0.001 0.000 0.260 416 G HA3 -0.085 3.876 3.960 0.001 0.000 0.260 416 G C 0.354 175.253 174.900 -0.002 0.000 0.976 416 G CA 1.004 46.112 45.100 0.014 0.000 0.655 416 G HN 2.084 nan 8.290 nan 0.000 0.533 417 S N -1.242 114.441 115.700 -0.028 0.000 2.564 417 S HA 0.722 5.193 4.470 0.001 0.000 0.274 417 S C 0.807 175.350 174.600 -0.096 0.000 1.124 417 S CA 0.776 58.948 58.200 -0.047 0.000 0.869 417 S CB 1.669 64.842 63.200 -0.046 0.000 1.105 417 S HN 1.192 nan 8.310 nan 0.000 0.472 418 S N 1.358 117.004 115.700 -0.090 0.000 2.559 418 S HA 0.307 4.777 4.470 0.001 0.000 0.226 418 S C -0.386 174.111 174.600 -0.172 0.000 1.000 418 S CA -0.373 57.748 58.200 -0.133 0.000 0.948 418 S CB -0.147 63.031 63.200 -0.035 0.000 0.870 418 S HN 0.646 nan 8.310 nan 0.000 0.497 419 D N 2.255 122.578 120.400 -0.128 0.000 2.348 419 D HA 0.329 4.969 4.640 0.001 0.000 0.253 419 D C -0.748 175.431 176.300 -0.201 0.000 1.161 419 D CA 0.023 53.978 54.000 -0.074 0.000 0.876 419 D CB 0.312 41.102 40.800 -0.017 0.000 1.160 419 D HN 0.271 nan 8.370 nan 0.000 0.459 420 Y N 1.731 121.963 120.300 -0.112 0.000 2.309 420 Y HA 0.237 4.788 4.550 0.001 0.000 0.327 420 Y C 1.012 176.696 175.900 -0.361 0.000 1.172 420 Y CA -0.343 57.582 58.100 -0.291 0.000 1.280 420 Y CB 0.714 38.934 38.460 -0.400 0.000 1.234 420 Y HN 0.201 nan 8.280 nan 0.000 0.512 421 N N 1.795 120.313 118.700 -0.302 0.000 2.448 421 N HA 0.202 4.942 4.740 0.001 0.000 0.279 421 N C -1.196 174.159 175.510 -0.258 0.000 1.025 421 N CA -0.624 52.312 53.050 -0.190 0.000 0.898 421 N CB 0.470 38.927 38.487 -0.050 0.000 1.303 421 N HN 0.497 nan 8.380 nan 0.000 0.495 422 Y N 1.656 122.024 120.300 0.113 0.000 2.445 422 Y HA 0.222 4.773 4.550 0.001 0.000 0.247 422 Y C 1.678 177.622 175.900 0.073 0.000 1.129 422 Y CA -0.120 58.035 58.100 0.091 0.000 1.251 422 Y CB 0.465 38.966 38.460 0.069 0.000 1.176 422 Y HN 0.333 nan 8.280 nan 0.000 0.522 423 V N 0.909 120.936 119.914 0.188 0.000 2.331 423 V HA -0.138 3.982 4.120 0.001 0.000 0.242 423 V C 0.589 176.745 176.094 0.103 0.000 1.034 423 V CA 1.873 64.251 62.300 0.131 0.000 1.027 423 V CB -0.349 31.536 31.823 0.105 0.000 0.667 423 V HN 0.613 nan 8.190 nan 0.000 0.457 424 N N -1.411 117.344 118.700 0.092 0.000 2.604 424 N HA 0.179 4.919 4.740 0.001 0.000 0.284 424 N C -2.961 172.603 175.510 0.090 0.000 1.716 424 N CA -1.180 51.917 53.050 0.079 0.000 0.859 424 N CB 0.194 38.719 38.487 0.064 0.000 1.403 424 N HN 0.248 nan 8.380 nan 0.000 0.501 425 P HA 0.022 nan 4.420 nan 0.000 0.272 425 P C 0.338 177.738 177.300 0.168 0.000 1.240 425 P CA -0.316 62.856 63.100 0.120 0.000 0.791 425 P CB 1.188 32.956 31.700 0.113 0.000 0.978 426 V N 2.424 122.468 119.914 0.216 0.000 2.963 426 V HA 0.039 4.159 4.120 0.001 0.000 0.306 426 V C 0.516 176.785 176.094 0.292 0.000 1.077 426 V CA 0.093 62.603 62.300 0.349 0.000 1.124 426 V CB -0.254 31.714 31.823 0.243 0.000 0.987 426 V HN 0.444 nan 8.190 nan 0.000 0.487 427 R N 6.182 126.897 120.500 0.359 0.000 2.310 427 R HA 0.626 4.967 4.340 0.001 0.000 0.324 427 R C -0.228 176.084 176.300 0.021 0.000 0.955 427 R CA -0.560 55.645 56.100 0.174 0.000 0.830 427 R CB 1.312 31.722 30.300 0.183 0.000 1.154 427 R HN 0.888 nan 8.270 nan 0.000 0.458 428 R N 0.207 120.551 120.500 -0.260 0.000 2.810 428 R HA 0.297 4.638 4.340 0.001 0.000 0.266 428 R C -0.944 174.785 176.300 -0.953 0.000 1.061 428 R CA -0.834 55.029 56.100 -0.395 0.000 0.943 428 R CB 0.803 30.959 30.300 -0.240 0.000 1.237 428 R HN 0.481 nan 8.270 nan 0.000 0.459 429 D N -1.181 118.900 120.400 -0.531 0.000 2.433 429 D HA 0.073 4.714 4.640 0.001 0.000 0.211 429 D C -0.195 176.264 176.300 0.264 0.000 1.114 429 D CA -0.000 53.802 54.000 -0.330 0.000 0.837 429 D CB 1.005 41.762 40.800 -0.071 0.000 0.984 429 D HN 0.547 nan 8.370 nan 0.000 0.505 430 T N -0.800 113.892 114.554 0.229 0.000 3.237 430 T HA 0.464 4.814 4.350 0.001 0.000 0.319 430 T C -1.682 173.191 174.700 0.289 0.000 1.037 430 T CA -0.753 61.589 62.100 0.404 0.000 1.048 430 T CB 1.406 70.454 68.868 0.298 0.000 1.081 430 T HN -0.036 nan 8.240 nan 0.000 0.455 431 V N 4.114 124.216 119.914 0.312 0.000 2.715 431 V HA 0.810 4.930 4.120 0.001 0.000 0.310 431 V C 0.294 176.330 176.094 -0.096 0.000 1.054 431 V CA -0.502 61.874 62.300 0.126 0.000 0.928 431 V CB 2.104 34.062 31.823 0.225 0.000 1.007 431 V HN 1.102 nan 8.190 nan 0.000 0.437 432 S N 2.930 118.426 115.700 -0.340 0.000 2.531 432 S HA 0.130 4.601 4.470 0.001 0.000 0.279 432 S C 1.255 175.684 174.600 -0.286 0.000 1.305 432 S CA 0.271 58.118 58.200 -0.588 0.000 1.058 432 S CB 0.946 63.212 63.200 -1.555 0.000 0.899 432 S HN 1.146 nan 8.310 nan 0.000 0.493 433 T N 2.458 116.914 114.554 -0.163 0.000 3.148 433 T HA 0.434 4.784 4.350 0.001 0.000 0.253 433 T C 1.317 176.021 174.700 0.006 0.000 1.134 433 T CA 0.395 62.460 62.100 -0.059 0.000 1.051 433 T CB -0.953 67.898 68.868 -0.029 0.000 0.959 433 T HN 1.510 nan 8.240 nan 0.000 0.525 434 G N 1.788 110.564 108.800 -0.040 0.000 2.598 434 G HA2 -0.205 3.755 3.960 0.001 0.000 0.244 434 G HA3 -0.205 3.755 3.960 0.001 0.000 0.244 434 G C -0.771 174.174 174.900 0.074 0.000 1.302 434 G CA -0.316 44.791 45.100 0.012 0.000 0.903 434 G HN 0.608 nan 8.290 nan 0.000 0.575 435 N N 1.168 119.912 118.700 0.074 0.000 2.432 435 N HA 0.561 5.302 4.740 0.001 0.000 0.292 435 N C -2.844 172.715 175.510 0.081 0.000 1.193 435 N CA -1.210 51.888 53.050 0.081 0.000 0.878 435 N CB 1.533 40.061 38.487 0.067 0.000 1.252 435 N HN 0.252 nan 8.380 nan 0.000 0.520 436 P HA -0.010 nan 4.420 nan 0.000 0.261 436 P C 0.734 178.071 177.300 0.062 0.000 1.165 436 P CA 1.114 64.262 63.100 0.080 0.000 0.759 436 P CB 0.105 31.847 31.700 0.069 0.000 0.772 437 G N 1.773 110.609 108.800 0.061 0.000 2.201 437 G HA2 -0.150 3.811 3.960 0.001 0.000 0.212 437 G HA3 -0.150 3.811 3.960 0.001 0.000 0.212 437 G C -0.337 174.586 174.900 0.038 0.000 0.994 437 G CA -0.439 44.688 45.100 0.045 0.000 0.644 437 G HN 0.510 nan 8.290 nan 0.000 0.508 438 D N 0.585 121.014 120.400 0.049 0.000 2.233 438 D HA 0.423 5.064 4.640 0.001 0.000 0.240 438 D C -0.068 176.260 176.300 0.047 0.000 1.074 438 D CA -0.425 53.595 54.000 0.034 0.000 0.838 438 D CB 1.214 42.037 40.800 0.038 0.000 1.124 438 D HN 0.075 nan 8.370 nan 0.000 0.475 439 N N 2.305 121.015 118.700 0.017 0.000 2.671 439 N HA 0.036 4.777 4.740 0.001 0.000 0.303 439 N C -0.739 174.783 175.510 0.019 0.000 1.351 439 N CA -0.361 52.706 53.050 0.028 0.000 0.991 439 N CB 0.181 38.690 38.487 0.036 0.000 1.307 439 N HN 0.104 nan 8.380 nan 0.000 0.512 440 V N 1.403 121.343 119.914 0.043 0.000 2.703 440 V HA -0.131 3.990 4.120 0.001 0.000 0.300 440 V C 0.530 176.695 176.094 0.119 0.000 1.063 440 V CA 0.866 63.206 62.300 0.066 0.000 1.240 440 V CB -0.558 31.323 31.823 0.096 0.000 0.845 440 V HN 0.300 nan 8.190 nan 0.000 0.476 441 T N 6.976 121.571 114.554 0.069 0.000 2.824 441 T HA 0.739 5.090 4.350 0.001 0.000 0.282 441 T C -0.218 174.547 174.700 0.108 0.000 0.993 441 T CA -0.350 61.796 62.100 0.077 0.000 0.967 441 T CB 1.455 70.421 68.868 0.164 0.000 0.960 441 T HN 0.680 nan 8.240 nan 0.000 0.441 442 I N -0.174 120.448 120.570 0.087 0.000 2.892 442 I HA 0.819 4.990 4.170 0.001 0.000 0.306 442 I C -0.870 175.346 176.117 0.166 0.000 1.078 442 I CA -1.321 60.058 61.300 0.133 0.000 1.032 442 I CB 2.285 40.254 38.000 -0.052 0.000 1.229 442 I HN 0.349 nan 8.210 nan 0.000 0.435 443 R N 3.593 124.252 120.500 0.265 0.000 2.628 443 R HA 0.723 5.064 4.340 0.001 0.000 0.288 443 R C -1.735 174.779 176.300 0.356 0.000 0.980 443 R CA -0.618 55.612 56.100 0.216 0.000 0.891 443 R CB 2.461 32.861 30.300 0.166 0.000 1.188 443 R HN 0.744 nan 8.270 nan 0.000 0.450 444 F N -1.828 118.167 119.950 0.074 0.000 2.668 444 F HA 0.497 5.025 4.527 0.001 0.000 0.309 444 F C -0.743 175.064 175.800 0.011 0.000 1.117 444 F CA -1.029 57.025 58.000 0.090 0.000 0.951 444 F CB 1.652 40.713 39.000 0.102 0.000 1.323 444 F HN 0.277 nan 8.300 nan 0.000 0.451 445 T N 0.647 115.226 114.554 0.042 0.000 2.907 445 T HA 0.496 4.847 4.350 0.001 0.000 0.284 445 T C -0.128 174.629 174.700 0.094 0.000 1.004 445 T CA -0.059 62.018 62.100 -0.038 0.000 1.063 445 T CB 0.683 69.596 68.868 0.075 0.000 0.992 445 T HN 0.987 nan 8.240 nan 0.000 0.483 446 T N 2.116 116.678 114.554 0.014 0.000 2.992 446 T HA 0.284 4.634 4.350 0.001 0.000 0.299 446 T C 0.377 175.254 174.700 0.294 0.000 1.027 446 T CA -0.759 61.458 62.100 0.196 0.000 1.001 446 T CB -0.109 68.811 68.868 0.086 0.000 1.005 446 T HN 0.725 nan 8.240 nan 0.000 0.599 447 D N 1.644 122.313 120.400 0.448 0.000 2.538 447 D HA 0.084 4.724 4.640 0.001 0.000 0.231 447 D C -0.190 176.362 176.300 0.419 0.000 1.229 447 D CA -0.560 53.639 54.000 0.333 0.000 0.828 447 D CB 0.210 41.160 40.800 0.252 0.000 1.035 447 D HN 0.410 nan 8.370 nan 0.000 0.495 448 N N 0.935 119.912 118.700 0.462 0.000 2.533 448 N HA 0.385 5.126 4.740 0.001 0.000 0.289 448 N C -1.431 174.398 175.510 0.532 0.000 1.103 448 N CA -0.316 52.987 53.050 0.422 0.000 0.877 448 N CB 2.001 40.480 38.487 -0.014 0.000 1.419 448 N HN 0.139 nan 8.380 nan 0.000 0.517 449 A N 1.645 124.702 122.820 0.396 0.000 2.363 449 A HA 0.813 5.134 4.320 0.001 0.000 0.270 449 A C 0.831 178.528 177.584 0.187 0.000 1.121 449 A CA 0.614 52.819 52.037 0.280 0.000 0.800 449 A CB -0.032 19.080 19.000 0.186 0.000 1.052 449 A HN 1.092 nan 8.150 nan 0.000 0.493 450 G N 1.478 110.292 108.800 0.024 0.000 2.381 450 G HA2 0.200 4.161 3.960 0.001 0.000 0.672 450 G HA3 0.200 4.161 3.960 0.001 0.000 0.672 450 G C -3.512 171.047 174.900 -0.569 0.000 1.324 450 G CA -0.454 44.467 45.100 -0.299 0.000 0.975 450 G HN 0.740 nan 8.290 nan 0.000 0.593 451 P HA 0.487 nan 4.420 nan 0.000 0.287 451 P C -1.063 175.788 177.300 -0.748 0.000 1.281 451 P CA -0.079 62.729 63.100 -0.488 0.000 0.781 451 P CB 0.396 31.904 31.700 -0.321 0.000 0.903 452 W N 2.757 124.132 121.300 0.126 0.000 2.736 452 W HA 0.428 5.089 4.660 0.001 0.000 0.335 452 W C -0.265 176.333 176.519 0.132 0.000 1.059 452 W CA -0.883 56.537 57.345 0.124 0.000 1.226 452 W CB 1.222 30.831 29.460 0.247 0.000 1.416 452 W HN 0.206 nan 8.180 nan 0.000 0.505 453 F N 3.255 123.251 119.950 0.076 0.000 2.399 453 F HA 0.513 5.041 4.527 0.001 0.000 0.342 453 F C -0.333 175.459 175.800 -0.013 0.000 1.106 453 F CA -1.569 56.355 58.000 -0.127 0.000 1.196 453 F CB 0.888 39.558 39.000 -0.550 0.000 1.163 453 F HN 0.097 nan 8.300 nan 0.000 0.547 454 L N 6.388 127.708 121.223 0.163 0.000 2.406 454 L HA 0.438 4.778 4.340 0.001 0.000 0.270 454 L C -1.463 175.283 176.870 -0.207 0.000 0.982 454 L CA -0.175 54.655 54.840 -0.017 0.000 0.843 454 L CB 0.994 43.144 42.059 0.152 0.000 1.225 454 L HN 0.749 nan 8.230 nan 0.000 0.412 455 H N 1.611 120.445 119.070 -0.394 0.000 2.980 455 H HA 0.497 5.054 4.556 0.001 0.000 0.367 455 H C -0.794 173.913 175.328 -1.035 0.000 1.206 455 H CA -1.141 54.472 56.048 -0.724 0.000 1.126 455 H CB 0.865 30.164 29.762 -0.772 0.000 1.838 455 H HN 0.678 nan 8.280 nan 0.000 0.552 456 C N 2.639 121.208 119.300 -1.218 0.000 2.648 456 C HA 0.063 4.524 4.460 0.001 0.000 0.415 456 C C 1.431 176.340 174.990 -0.136 0.000 1.366 456 C CA -0.065 58.369 59.018 -0.973 0.000 1.756 456 C CB -1.102 26.223 27.740 -0.692 0.000 2.549 456 C HN 1.012 nan 8.230 nan 0.000 0.597 457 H N 4.075 123.125 119.070 -0.033 0.000 2.553 457 H HA 0.212 4.769 4.556 0.001 0.000 0.269 457 H C 0.577 175.933 175.328 0.047 0.000 1.011 457 H CA 0.500 56.640 56.048 0.153 0.000 1.150 457 H CB -0.010 29.863 29.762 0.185 0.000 1.339 457 H HN 0.693 nan 8.280 nan 0.000 0.604 458 I N 1.591 122.203 120.570 0.070 0.000 2.483 458 I HA -0.113 4.057 4.170 0.001 0.000 0.291 458 I C 1.596 177.589 176.117 -0.207 0.000 1.112 458 I CA 0.000 61.241 61.300 -0.099 0.000 1.350 458 I CB 0.696 38.503 38.000 -0.322 0.000 1.419 458 I HN 0.007 nan 8.210 nan 0.000 0.523 459 D N 5.153 125.350 120.400 -0.339 0.000 2.149 459 D HA -0.209 4.431 4.640 0.001 0.000 0.198 459 D C 1.750 177.764 176.300 -0.476 0.000 0.990 459 D CA 1.860 55.547 54.000 -0.522 0.000 0.839 459 D CB 0.107 40.360 40.800 -0.912 0.000 0.948 459 D HN 0.485 nan 8.370 nan 0.000 0.460 460 F N -0.541 119.308 119.950 -0.168 0.000 2.502 460 F HA 0.038 4.566 4.527 0.001 0.000 0.298 460 F C 2.264 178.228 175.800 0.275 0.000 1.111 460 F CA 0.810 58.783 58.000 -0.046 0.000 1.445 460 F CB -0.571 38.404 39.000 -0.042 0.000 1.081 460 F HN 0.249 nan 8.300 nan 0.000 0.558 461 H N -1.163 118.084 119.070 0.296 0.000 2.465 461 H HA 0.049 4.606 4.556 0.001 0.000 0.289 461 H C 2.305 177.728 175.328 0.158 0.000 1.022 461 H CA 0.284 56.502 56.048 0.283 0.000 1.340 461 H CB 0.099 29.890 29.762 0.048 0.000 1.437 461 H HN 0.181 nan 8.280 nan 0.000 0.539 462 L N 1.048 122.325 121.223 0.090 0.000 2.042 462 L HA -0.183 4.158 4.340 0.001 0.000 0.210 462 L C 2.318 179.192 176.870 0.008 0.000 1.076 462 L CA 1.338 56.126 54.840 -0.087 0.000 0.749 462 L CB -0.059 41.780 42.059 -0.366 0.000 0.893 462 L HN 0.350 nan 8.230 nan 0.000 0.432 463 E N -0.356 119.860 120.200 0.027 0.000 2.268 463 E HA -0.148 4.202 4.350 0.001 0.000 0.195 463 E C 1.823 178.485 176.600 0.104 0.000 0.995 463 E CA 0.957 57.379 56.400 0.036 0.000 0.836 463 E CB 0.129 29.824 29.700 -0.007 0.000 0.763 463 E HN 0.525 nan 8.360 nan 0.000 0.491 464 A N -0.160 122.811 122.820 0.252 0.000 2.238 464 A HA 0.220 4.541 4.320 0.001 0.000 0.208 464 A C 1.480 179.209 177.584 0.241 0.000 1.177 464 A CA 0.951 53.192 52.037 0.341 0.000 0.804 464 A CB -0.109 19.372 19.000 0.802 0.000 0.823 464 A HN 0.248 nan 8.150 nan 0.000 0.482 465 G N -1.799 107.118 108.800 0.196 0.000 2.142 465 G HA2 -0.226 3.734 3.960 0.001 0.000 0.225 465 G HA3 -0.226 3.734 3.960 0.001 0.000 0.225 465 G C -0.075 174.974 174.900 0.249 0.000 1.015 465 G CA 0.053 45.242 45.100 0.148 0.000 0.716 465 G HN 0.520 nan 8.290 nan 0.000 0.508 466 F N 1.733 121.713 119.950 0.050 0.000 2.626 466 F HA 0.656 5.184 4.527 0.001 0.000 0.353 466 F C 0.565 176.330 175.800 -0.057 0.000 1.230 466 F CA -0.786 57.206 58.000 -0.013 0.000 1.298 466 F CB -0.294 38.533 39.000 -0.288 0.000 1.670 466 F HN 0.797 nan 8.300 nan 0.000 0.633 467 A N 4.993 127.894 122.820 0.135 0.000 2.605 467 A HA 0.771 5.092 4.320 0.001 0.000 0.294 467 A C -1.294 176.397 177.584 0.178 0.000 1.062 467 A CA -0.621 51.427 52.037 0.019 0.000 0.682 467 A CB 1.332 20.237 19.000 -0.158 0.000 1.278 467 A HN 0.500 nan 8.150 nan 0.000 0.410 468 I N -1.821 118.846 120.570 0.162 0.000 3.095 468 I HA 0.887 5.058 4.170 0.001 0.000 0.310 468 I C -1.327 174.865 176.117 0.125 0.000 1.196 468 I CA -1.309 60.090 61.300 0.166 0.000 0.985 468 I CB 2.082 40.186 38.000 0.174 0.000 1.250 468 I HN 0.353 nan 8.210 nan 0.000 0.446 469 V N 2.687 122.620 119.914 0.032 0.000 2.555 469 V HA 0.455 4.575 4.120 0.001 0.000 0.302 469 V C -0.998 175.063 176.094 -0.055 0.000 1.038 469 V CA -0.318 61.986 62.300 0.006 0.000 0.887 469 V CB 1.691 33.487 31.823 -0.044 0.000 0.991 469 V HN 0.471 nan 8.190 nan 0.000 0.434 470 F N 2.981 123.090 119.950 0.266 0.000 2.334 470 F HA 0.588 5.115 4.527 0.001 0.000 0.367 470 F C 0.771 176.681 175.800 0.184 0.000 1.115 470 F CA -0.855 57.312 58.000 0.279 0.000 1.116 470 F CB 1.227 40.442 39.000 0.358 0.000 1.230 470 F HN 0.527 nan 8.300 nan 0.000 0.484 471 A N 3.556 126.560 122.820 0.306 0.000 2.805 471 A HA 0.180 4.500 4.320 0.001 0.000 0.301 471 A C 0.411 178.120 177.584 0.208 0.000 1.557 471 A CA -0.372 51.761 52.037 0.159 0.000 1.254 471 A CB -0.600 18.459 19.000 0.098 0.000 1.114 471 A HN 0.732 nan 8.150 nan 0.000 0.553 472 E N 2.569 122.913 120.200 0.239 0.000 2.129 472 E HA 0.220 4.570 4.350 0.001 0.000 0.283 472 E C -0.680 176.038 176.600 0.197 0.000 1.080 472 E CA -0.210 56.361 56.400 0.284 0.000 0.867 472 E CB 0.225 30.217 29.700 0.487 0.000 1.056 472 E HN 0.644 nan 8.360 nan 0.000 0.404 473 D N 3.279 123.774 120.400 0.159 0.000 3.133 473 D HA -0.186 4.455 4.640 0.001 0.000 0.239 473 D C 0.663 177.018 176.300 0.091 0.000 1.136 473 D CA 1.169 55.242 54.000 0.121 0.000 0.898 473 D CB -0.987 39.895 40.800 0.137 0.000 0.959 473 D HN 0.561 nan 8.370 nan 0.000 0.415 474 T N 0.352 114.953 114.554 0.077 0.000 2.720 474 T HA -0.043 4.307 4.350 0.001 0.000 0.268 474 T C -0.855 173.872 174.700 0.044 0.000 1.037 474 T CA 1.797 63.929 62.100 0.053 0.000 1.144 474 T CB -0.232 68.667 68.868 0.051 0.000 0.864 474 T HN 0.296 nan 8.240 nan 0.000 0.444 475 P HA 0.026 nan 4.420 nan 0.000 0.217 475 P C 0.786 178.110 177.300 0.040 0.000 1.150 475 P CA 1.092 64.216 63.100 0.041 0.000 0.832 475 P CB -0.099 31.625 31.700 0.041 0.000 0.787 476 D N -2.332 118.098 120.400 0.050 0.000 2.339 476 D HA 0.024 4.664 4.640 0.001 0.000 0.217 476 D C 1.467 177.795 176.300 0.047 0.000 1.050 476 D CA 0.582 54.612 54.000 0.051 0.000 0.856 476 D CB -0.513 40.326 40.800 0.065 0.000 0.922 476 D HN 0.107 nan 8.370 nan 0.000 0.518 477 T N 0.675 115.250 114.554 0.036 0.000 2.708 477 T HA -0.154 4.197 4.350 0.001 0.000 0.266 477 T C 2.086 176.788 174.700 0.002 0.000 1.037 477 T CA 1.495 63.603 62.100 0.012 0.000 1.146 477 T CB -0.068 68.792 68.868 -0.012 0.000 0.865 477 T HN 0.227 nan 8.240 nan 0.000 0.435 478 A N 2.082 124.906 122.820 0.008 0.000 1.851 478 A HA -0.150 4.171 4.320 0.001 0.000 0.216 478 A C 2.618 180.206 177.584 0.007 0.000 1.195 478 A CA 2.488 54.528 52.037 0.004 0.000 0.622 478 A CB -1.103 17.905 19.000 0.014 0.000 0.831 478 A HN 0.615 nan 8.150 nan 0.000 0.444 479 S N -0.211 115.501 115.700 0.019 0.000 2.344 479 S HA -0.141 4.330 4.470 0.001 0.000 0.217 479 S C 1.687 176.308 174.600 0.035 0.000 1.033 479 S CA 1.472 59.687 58.200 0.025 0.000 1.017 479 S CB -1.292 61.925 63.200 0.028 0.000 0.941 479 S HN 0.310 nan 8.310 nan 0.000 0.430 480 V N 2.751 122.695 119.914 0.049 0.000 2.660 480 V HA -0.125 3.996 4.120 0.001 0.000 0.257 480 V C 0.128 176.271 176.094 0.083 0.000 1.088 480 V CA 1.576 63.920 62.300 0.073 0.000 1.106 480 V CB -1.494 30.386 31.823 0.094 0.000 0.686 480 V HN 0.534 nan 8.190 nan 0.000 0.481 481 N N 0.368 119.102 118.700 0.056 0.000 2.706 481 N HA 0.344 5.084 4.740 0.001 0.000 0.240 481 N C -2.996 172.533 175.510 0.032 0.000 1.039 481 N CA -1.173 51.919 53.050 0.069 0.000 0.888 481 N CB 1.330 39.833 38.487 0.027 0.000 1.128 481 N HN 0.210 nan 8.380 nan 0.000 0.512 482 P HA 0.052 nan 4.420 nan 0.000 0.276 482 P C -0.511 176.696 177.300 -0.155 0.000 1.243 482 P CA -0.471 62.612 63.100 -0.027 0.000 0.768 482 P CB 0.863 32.565 31.700 0.003 0.000 0.856 483 V N 2.798 122.551 119.914 -0.269 0.000 2.394 483 V HA 0.531 4.651 4.120 0.001 0.000 0.282 483 V C -1.791 174.052 176.094 -0.418 0.000 1.031 483 V CA -2.221 59.754 62.300 -0.541 0.000 0.881 483 V CB 0.708 32.252 31.823 -0.465 0.000 0.982 483 V HN 0.445 nan 8.190 nan 0.000 0.451 484 P HA 0.158 nan 4.420 nan 0.000 0.273 484 P C 0.788 177.993 177.300 -0.158 0.000 1.250 484 P CA -0.102 62.755 63.100 -0.405 0.000 0.793 484 P CB 1.081 32.400 31.700 -0.634 0.000 1.011 485 T N -0.385 114.113 114.554 -0.093 0.000 2.857 485 T HA -0.060 4.290 4.350 0.001 0.000 0.266 485 T C 1.807 176.531 174.700 0.040 0.000 1.048 485 T CA 1.447 63.541 62.100 -0.011 0.000 1.139 485 T CB -0.699 68.156 68.868 -0.021 0.000 0.874 485 T HN 0.439 nan 8.240 nan 0.000 0.455 486 A N 0.322 123.161 122.820 0.031 0.000 1.892 486 A HA -0.124 4.197 4.320 0.001 0.000 0.218 486 A C 2.067 179.859 177.584 0.346 0.000 1.188 486 A CA 1.896 54.021 52.037 0.146 0.000 0.631 486 A CB -1.404 17.622 19.000 0.045 0.000 0.822 486 A HN 0.827 nan 8.150 nan 0.000 0.447 487 W N 1.823 123.254 121.300 0.218 0.000 2.342 487 W HA -0.241 4.419 4.660 0.001 0.000 0.297 487 W C 2.506 179.033 176.519 0.014 0.000 1.213 487 W CA 2.649 60.104 57.345 0.183 0.000 1.251 487 W CB -0.150 29.359 29.460 0.081 0.000 1.136 487 W HN 0.419 nan 8.180 nan 0.000 0.526 488 S N -1.037 114.746 115.700 0.139 0.000 2.489 488 S HA -0.109 4.361 4.470 0.001 0.000 0.228 488 S C 1.216 175.735 174.600 -0.135 0.000 0.995 488 S CA 1.140 59.303 58.200 -0.062 0.000 0.934 488 S CB -0.405 62.876 63.200 0.134 0.000 0.771 488 S HN 0.168 nan 8.310 nan 0.000 0.522 489 D N 1.327 121.688 120.400 -0.065 0.000 2.312 489 D HA 0.097 4.738 4.640 0.001 0.000 0.211 489 D C 1.563 177.798 176.300 -0.110 0.000 0.964 489 D CA 0.230 54.196 54.000 -0.057 0.000 0.877 489 D CB -0.207 40.595 40.800 0.004 0.000 0.924 489 D HN 0.230 nan 8.370 nan 0.000 0.515 490 L N 0.364 121.455 121.223 -0.220 0.000 2.017 490 L HA -0.141 4.200 4.340 0.001 0.000 0.208 490 L C 2.426 179.169 176.870 -0.213 0.000 1.073 490 L CA 1.139 55.813 54.840 -0.277 0.000 0.745 490 L CB -0.963 40.787 42.059 -0.515 0.000 0.894 490 L HN 0.145 nan 8.230 nan 0.000 0.432 491 c N 0.102 118.540 118.600 -0.269 0.000 2.466 491 c HA -0.039 4.532 4.570 0.001 0.000 0.278 491 c C 0.205 174.279 174.090 -0.027 0.000 1.288 491 c CA 0.556 56.803 56.329 -0.137 0.000 1.722 491 c CB -1.569 40.828 42.510 -0.189 0.000 2.017 491 c HN 0.417 nan 8.230 nan 0.000 0.488 492 P HA -0.109 nan 4.420 nan 0.000 0.218 492 P C 1.410 178.700 177.300 -0.017 0.000 1.149 492 P CA 1.813 64.896 63.100 -0.028 0.000 0.817 492 P CB -0.334 31.343 31.700 -0.037 0.000 0.785 493 T N -2.271 112.274 114.554 -0.016 0.000 3.055 493 T HA -0.106 4.245 4.350 0.001 0.000 0.265 493 T C 1.583 176.291 174.700 0.013 0.000 1.111 493 T CA 0.444 62.539 62.100 -0.008 0.000 1.118 493 T CB -0.621 68.242 68.868 -0.008 0.000 0.909 493 T HN 0.004 nan 8.240 nan 0.000 0.501 494 Y N 0.856 121.094 120.300 -0.104 0.000 2.389 494 Y HA 0.195 4.746 4.550 0.001 0.000 0.292 494 Y C 1.827 177.669 175.900 -0.097 0.000 1.117 494 Y CA 0.787 58.819 58.100 -0.112 0.000 1.195 494 Y CB 0.159 38.550 38.460 -0.116 0.000 1.076 494 Y HN 0.116 nan 8.280 nan 0.000 0.548 495 D N 0.302 120.664 120.400 -0.063 0.000 2.347 495 D HA 0.001 4.642 4.640 0.001 0.000 0.215 495 D C 1.903 178.117 176.300 -0.143 0.000 0.976 495 D CA 0.953 54.884 54.000 -0.115 0.000 0.884 495 D CB 0.051 40.865 40.800 0.023 0.000 0.915 495 D HN 0.501 nan 8.370 nan 0.000 0.526 496 A N 0.295 123.035 122.820 -0.134 0.000 2.072 496 A HA 0.065 4.385 4.320 0.001 0.000 0.216 496 A C 1.263 178.758 177.584 -0.149 0.000 1.156 496 A CA 0.038 52.010 52.037 -0.109 0.000 0.701 496 A CB -0.181 18.776 19.000 -0.071 0.000 0.816 496 A HN 0.135 nan 8.150 nan 0.000 0.458 497 L N 1.148 122.221 121.223 -0.250 0.000 2.461 497 L HA 0.117 4.457 4.340 0.001 0.000 0.272 497 L C -0.459 176.259 176.870 -0.254 0.000 1.197 497 L CA -0.464 54.208 54.840 -0.281 0.000 0.836 497 L CB 0.232 42.021 42.059 -0.450 0.000 1.105 497 L HN 0.223 nan 8.230 nan 0.000 0.477 498 D N 2.880 123.190 120.400 -0.150 0.000 2.341 498 D HA 0.116 4.756 4.640 0.001 0.000 0.245 498 D C -1.500 174.813 176.300 0.021 0.000 1.106 498 D CA -0.931 53.034 54.000 -0.060 0.000 0.905 498 D CB 0.702 41.486 40.800 -0.027 0.000 1.202 498 D HN 0.261 nan 8.370 nan 0.000 0.426 499 P HA -0.237 nan 4.420 nan 0.000 0.218 499 P C 1.279 178.686 177.300 0.177 0.000 1.152 499 P CA 1.159 64.411 63.100 0.253 0.000 0.857 499 P CB 0.193 31.938 31.700 0.075 0.000 0.787 500 S N -1.410 114.338 115.700 0.080 0.000 2.423 500 S HA -0.126 4.344 4.470 0.001 0.000 0.231 500 S C 0.984 175.618 174.600 0.057 0.000 1.014 500 S CA 1.312 59.544 58.200 0.054 0.000 0.965 500 S CB -0.839 62.377 63.200 0.026 0.000 0.785 500 S HN 0.077 nan 8.310 nan 0.000 0.495 501 D N -0.170 120.251 120.400 0.035 0.000 2.368 501 D HA 0.249 4.890 4.640 0.001 0.000 0.218 501 D C 0.271 176.568 176.300 -0.006 0.000 1.112 501 D CA -0.054 53.947 54.000 0.001 0.000 0.834 501 D CB 0.047 40.822 40.800 -0.043 0.000 0.953 501 D HN 0.466 nan 8.370 nan 0.000 0.505 502 H N 0.000 119.070 119.070 -0.000 0.000 2.539 502 H HA 0.000 4.557 4.556 0.001 0.000 0.296 502 H CA 0.000 56.070 56.048 0.036 0.000 1.023 502 H CB 0.000 29.788 29.762 0.044 0.000 1.292 502 H HN 0.000 nan 8.280 nan 0.000 0.496