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 3hs7_1_A DATA FIRST_RESID 33 DATA SEQUENCE HHPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV 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 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.404 175.328 0.127 0.000 0.993 33 H CA 0.000 56.113 56.048 0.108 0.000 1.023 33 H CB 0.000 29.818 29.762 0.093 0.000 1.292 34 H N 1.774 120.998 119.070 0.257 0.000 3.125 34 H HA 0.024 4.583 4.556 0.004 0.000 0.310 34 H C -1.692 173.747 175.328 0.186 0.000 0.980 34 H CA -0.762 55.386 56.048 0.166 0.000 1.422 34 H CB 0.986 30.825 29.762 0.128 0.000 1.432 34 H HN 0.522 nan 8.280 nan 0.000 0.577 35 P HA -0.036 nan 4.420 nan 0.000 0.226 35 P C 0.859 178.269 177.300 0.182 0.000 1.153 35 P CA 0.755 63.925 63.100 0.118 0.000 0.777 35 P CB 0.242 31.986 31.700 0.073 0.000 0.794 36 c N -2.371 116.433 118.600 0.341 0.000 2.754 36 c HA 0.120 4.693 4.570 0.004 0.000 0.276 36 c C 2.451 176.559 174.090 0.030 0.000 1.264 36 c CA -0.232 56.159 56.329 0.104 0.000 1.700 36 c CB -2.032 40.560 42.510 0.138 0.000 1.885 36 c HN 0.336 nan 8.230 nan 0.000 0.607 37 c N 1.672 120.349 118.600 0.129 0.000 2.411 37 c HA -0.120 4.453 4.570 0.004 0.000 0.279 37 c C 2.887 176.962 174.090 -0.024 0.000 1.288 37 c CA 2.144 58.496 56.329 0.038 0.000 1.764 37 c CB -1.271 41.271 42.510 0.053 0.000 1.974 37 c HN 0.819 nan 8.230 nan 0.000 0.498 38 S N 0.351 116.040 115.700 -0.019 0.000 2.607 38 S HA -0.026 4.447 4.470 0.004 0.000 0.224 38 S C 0.376 174.918 174.600 -0.097 0.000 0.969 38 S CA 0.344 58.516 58.200 -0.047 0.000 0.927 38 S CB -0.697 62.491 63.200 -0.021 0.000 0.772 38 S HN 0.692 nan 8.310 nan 0.000 0.533 39 N N 1.900 120.521 118.700 -0.133 0.000 2.667 39 N HA -0.094 4.649 4.740 0.004 0.000 0.263 39 N C -1.973 173.424 175.510 -0.188 0.000 1.038 39 N CA 1.005 53.956 53.050 -0.165 0.000 0.749 39 N CB -1.161 37.239 38.487 -0.145 0.000 0.892 39 N HN 0.466 nan 8.380 nan 0.000 0.546 40 P HA -0.028 nan 4.420 nan 0.000 0.219 40 P C 0.365 177.562 177.300 -0.170 0.000 1.150 40 P CA 0.652 63.593 63.100 -0.265 0.000 0.814 40 P CB 0.175 31.524 31.700 -0.585 0.000 0.787 41 c N 2.490 120.985 118.600 -0.176 0.000 2.585 41 c HA 0.307 4.880 4.570 0.004 0.000 0.406 41 c C 0.737 174.754 174.090 -0.122 0.000 1.312 41 c CA -0.491 55.779 56.329 -0.098 0.000 1.924 41 c CB -0.616 41.855 42.510 -0.065 0.000 2.578 41 c HN 0.274 nan 8.230 nan 0.000 0.580 42 Q N 1.743 121.462 119.800 -0.136 0.000 2.240 42 Q HA 0.358 4.700 4.340 0.004 0.000 0.260 42 Q C 0.204 176.055 176.000 -0.247 0.000 1.018 42 Q CA -0.512 55.169 55.803 -0.203 0.000 0.898 42 Q CB 0.658 29.246 28.738 -0.250 0.000 1.301 42 Q HN 0.774 nan 8.270 nan 0.000 0.469 43 N N 1.187 119.712 118.700 -0.292 0.000 2.735 43 N HA -0.220 4.523 4.740 0.004 0.000 0.248 43 N C -0.691 174.744 175.510 -0.126 0.000 1.083 43 N CA 1.007 53.879 53.050 -0.297 0.000 0.703 43 N CB -0.516 37.540 38.487 -0.718 0.000 1.005 43 N HN 0.725 nan 8.380 nan 0.000 0.550 44 R N -3.811 116.616 120.500 -0.121 0.000 3.936 44 R HA -0.143 4.199 4.340 0.004 0.000 0.366 44 R C 0.900 177.177 176.300 -0.038 0.000 1.158 44 R CA 1.160 57.208 56.100 -0.087 0.000 0.969 44 R CB -2.142 28.103 30.300 -0.092 0.000 1.504 44 R HN 0.426 nan 8.270 nan 0.000 0.538 45 G N 0.987 109.766 108.800 -0.036 0.000 2.594 45 G HA2 0.284 4.247 3.960 0.004 0.000 0.243 45 G HA3 0.284 4.247 3.960 0.004 0.000 0.243 45 G C -0.174 174.727 174.900 0.001 0.000 1.229 45 G CA -0.350 44.751 45.100 0.003 0.000 0.843 45 G HN 0.202 nan 8.290 nan 0.000 0.578 46 E N -0.423 119.798 120.200 0.034 0.000 2.158 46 E HA 0.281 4.633 4.350 0.004 0.000 0.271 46 E C -0.846 175.785 176.600 0.052 0.000 0.911 46 E CA -0.598 55.831 56.400 0.049 0.000 0.767 46 E CB 2.012 31.768 29.700 0.092 0.000 1.120 46 E HN 0.378 nan 8.360 nan 0.000 0.405 47 c N 4.571 123.186 118.600 0.024 0.000 2.452 47 c HA 0.566 5.138 4.570 0.004 0.000 0.379 47 c C -0.217 173.932 174.090 0.098 0.000 1.275 47 c CA -0.268 56.085 56.329 0.041 0.000 2.056 47 c CB -0.484 42.001 42.510 -0.043 0.000 2.506 47 c HN 0.801 nan 8.230 nan 0.000 0.560 48 M N 5.665 125.344 119.600 0.132 0.000 2.271 48 M HA 0.359 4.841 4.480 0.004 0.000 0.285 48 M C -0.068 176.299 176.300 0.112 0.000 1.059 48 M CA -0.089 55.283 55.300 0.120 0.000 0.940 48 M CB 1.919 34.569 32.600 0.083 0.000 1.636 48 M HN 0.781 nan 8.290 nan 0.000 0.460 49 S N 2.623 118.353 115.700 0.050 0.000 2.549 49 S HA 0.327 4.799 4.470 0.004 0.000 0.283 49 S C 0.339 174.899 174.600 -0.066 0.000 1.320 49 S CA 0.102 58.272 58.200 -0.050 0.000 1.058 49 S CB 0.361 63.402 63.200 -0.266 0.000 0.882 49 S HN 0.750 nan 8.310 nan 0.000 0.498 50 T N -0.638 113.878 114.554 -0.063 0.000 3.438 50 T HA 0.663 5.015 4.350 0.004 0.000 0.244 50 T C 0.493 175.126 174.700 -0.111 0.000 1.269 50 T CA -0.149 61.902 62.100 -0.081 0.000 1.371 50 T CB -0.537 68.299 68.868 -0.053 0.000 1.002 50 T HN 1.803 nan 8.240 nan 0.000 0.637 51 G N 0.627 109.313 108.800 -0.189 0.000 2.381 51 G HA2 0.103 4.066 3.960 0.004 0.000 0.672 51 G HA3 0.103 4.066 3.960 0.004 0.000 0.672 51 G C -0.270 174.483 174.900 -0.246 0.000 1.324 51 G CA -0.729 44.238 45.100 -0.222 0.000 0.975 51 G HN 0.112 nan 8.290 nan 0.000 0.593 52 F N 0.647 120.555 119.950 -0.070 0.000 2.216 52 F HA 0.079 4.608 4.527 0.004 0.000 0.300 52 F C 2.334 178.073 175.800 -0.101 0.000 1.085 52 F CA 2.059 60.008 58.000 -0.085 0.000 1.326 52 F CB 0.176 39.137 39.000 -0.065 0.000 1.027 52 F HN 0.517 nan 8.300 nan 0.000 0.497 53 D N -2.615 117.837 120.400 0.086 0.000 2.540 53 D HA 0.070 4.713 4.640 0.004 0.000 0.229 53 D C 0.118 176.428 176.300 0.017 0.000 1.250 53 D CA 0.050 54.064 54.000 0.024 0.000 0.817 53 D CB -0.316 40.496 40.800 0.020 0.000 1.060 53 D HN 0.097 nan 8.370 nan 0.000 0.508 54 Q N 0.524 120.323 119.800 -0.002 0.000 2.345 54 Q HA 0.439 4.781 4.340 0.004 0.000 0.268 54 Q C -0.951 175.061 176.000 0.019 0.000 1.054 54 Q CA -0.857 54.922 55.803 -0.040 0.000 0.835 54 Q CB 2.571 31.266 28.738 -0.073 0.000 1.339 54 Q HN 0.361 nan 8.270 nan 0.000 0.447 55 Y N -2.737 117.548 120.300 -0.025 0.000 2.634 55 Y HA 0.809 5.361 4.550 0.004 0.000 0.340 55 Y C -0.953 174.944 175.900 -0.005 0.000 1.058 55 Y CA -1.083 57.007 58.100 -0.016 0.000 1.081 55 Y CB 1.534 39.999 38.460 0.009 0.000 1.295 55 Y HN 0.260 nan 8.280 nan 0.000 0.487 56 K N 0.846 121.375 120.400 0.216 0.000 2.501 56 K HA 0.702 5.024 4.320 0.004 0.000 0.252 56 K C -1.842 174.897 176.600 0.231 0.000 0.934 56 K CA -0.621 55.747 56.287 0.134 0.000 0.797 56 K CB 1.156 33.683 32.500 0.045 0.000 1.270 56 K HN 1.028 nan 8.250 nan 0.000 0.431 57 c N 2.664 121.393 118.600 0.216 0.000 2.350 57 c HA 0.521 5.093 4.570 0.004 0.000 0.348 57 c C -0.103 174.052 174.090 0.109 0.000 1.260 57 c CA -0.625 55.801 56.329 0.161 0.000 1.966 57 c CB 0.584 43.188 42.510 0.157 0.000 2.380 57 c HN 0.894 nan 8.230 nan 0.000 0.535 58 D N 1.489 121.942 120.400 0.089 0.000 2.396 58 D HA 0.250 4.892 4.640 0.004 0.000 0.225 58 D C 0.200 176.548 176.300 0.079 0.000 1.121 58 D CA -0.293 53.754 54.000 0.077 0.000 0.853 58 D CB 0.808 41.648 40.800 0.068 0.000 1.043 58 D HN 0.640 nan 8.370 nan 0.000 0.500 59 c N 2.699 121.357 118.600 0.096 0.000 2.673 59 c HA 0.135 4.707 4.570 0.004 0.000 0.274 59 c C 0.855 175.013 174.090 0.115 0.000 1.276 59 c CA -0.296 56.105 56.329 0.120 0.000 1.701 59 c CB -1.448 41.163 42.510 0.167 0.000 1.836 59 c HN 0.533 nan 8.230 nan 0.000 0.596 60 T N 2.050 116.654 114.554 0.083 0.000 2.822 60 T HA 0.024 4.376 4.350 0.004 0.000 0.288 60 T C 0.909 175.652 174.700 0.070 0.000 0.991 60 T CA 0.625 62.765 62.100 0.067 0.000 1.176 60 T CB -0.095 68.800 68.868 0.046 0.000 0.951 60 T HN 0.619 nan 8.240 nan 0.000 0.526 61 R N 0.257 120.802 120.500 0.076 0.000 3.863 61 R HA -0.222 4.121 4.340 0.004 0.000 0.313 61 R C 1.630 177.999 176.300 0.115 0.000 1.202 61 R CA 1.147 57.297 56.100 0.082 0.000 0.852 61 R CB -2.494 27.846 30.300 0.067 0.000 1.292 61 R HN 0.911 nan 8.270 nan 0.000 0.519 62 T N -4.344 110.298 114.554 0.147 0.000 3.043 62 T HA 0.196 4.548 4.350 0.004 0.000 0.263 62 T C 1.544 176.416 174.700 0.287 0.000 1.094 62 T CA 0.893 63.129 62.100 0.226 0.000 1.127 62 T CB 0.631 69.653 68.868 0.257 0.000 0.905 62 T HN 0.708 nan 8.240 nan 0.000 0.490 63 G N 0.630 109.517 108.800 0.146 0.000 2.157 63 G HA2 -0.160 3.802 3.960 0.004 0.000 0.248 63 G HA3 -0.160 3.802 3.960 0.004 0.000 0.248 63 G C -0.102 174.634 174.900 -0.273 0.000 0.979 63 G CA 0.060 45.121 45.100 -0.064 0.000 0.650 63 G HN 0.572 nan 8.290 nan 0.000 0.529 64 F N -0.777 119.239 119.950 0.111 0.000 2.640 64 F HA 0.819 5.349 4.527 0.004 0.000 0.324 64 F C 0.282 176.201 175.800 0.198 0.000 1.077 64 F CA -0.832 57.228 58.000 0.100 0.000 0.965 64 F CB 1.576 40.585 39.000 0.016 0.000 1.351 64 F HN 0.281 nan 8.300 nan 0.000 0.487 65 Y N -1.189 119.254 120.300 0.238 0.000 2.840 65 Y HA 0.881 5.433 4.550 0.004 0.000 0.324 65 Y C -0.153 175.822 175.900 0.125 0.000 1.378 65 Y CA -1.496 56.689 58.100 0.142 0.000 1.077 65 Y CB 1.092 39.605 38.460 0.087 0.000 1.361 65 Y HN 1.094 nan 8.280 nan 0.000 0.459 66 G N 0.385 109.331 108.800 0.243 0.000 2.712 66 G HA2 -0.208 3.754 3.960 0.004 0.000 0.683 66 G HA3 -0.208 3.754 3.960 0.004 0.000 0.683 66 G C 0.223 175.181 174.900 0.097 0.000 1.320 66 G CA -0.018 45.148 45.100 0.110 0.000 0.847 66 G HN 1.169 nan 8.290 nan 0.000 0.553 67 E N -0.321 119.923 120.200 0.072 0.000 2.187 67 E HA -0.190 4.163 4.350 0.004 0.000 0.199 67 E C 1.408 178.084 176.600 0.127 0.000 1.004 67 E CA 1.660 58.104 56.400 0.074 0.000 0.813 67 E CB -0.066 29.658 29.700 0.041 0.000 0.736 67 E HN 0.407 nan 8.360 nan 0.000 0.468 68 N N -0.970 117.785 118.700 0.092 0.000 2.238 68 N HA 0.083 4.825 4.740 0.004 0.000 0.235 68 N C -0.657 174.857 175.510 0.006 0.000 1.209 68 N CA 0.381 53.475 53.050 0.074 0.000 0.879 68 N CB 0.581 39.097 38.487 0.049 0.000 1.136 68 N HN 0.104 nan 8.380 nan 0.000 0.517 69 c N 0.993 119.614 118.600 0.034 0.000 4.056 69 c HA -0.119 4.454 4.570 0.004 0.000 0.302 69 c C 1.821 175.863 174.090 -0.080 0.000 1.356 69 c CA 0.996 57.349 56.329 0.041 0.000 2.074 69 c CB -3.125 39.413 42.510 0.046 0.000 1.328 69 c HN 0.572 nan 8.230 nan 0.000 0.684 70 T N -4.257 110.263 114.554 -0.057 0.000 3.000 70 T HA 0.124 4.476 4.350 0.004 0.000 0.248 70 T C 0.456 175.193 174.700 0.063 0.000 1.034 70 T CA 0.787 62.837 62.100 -0.084 0.000 1.060 70 T CB 0.111 68.933 68.868 -0.076 0.000 0.983 70 T HN 0.586 nan 8.240 nan 0.000 0.482 71 T N 5.508 120.026 114.554 -0.060 0.000 2.761 71 T HA 0.408 4.760 4.350 0.004 0.000 0.296 71 T C -2.634 171.990 174.700 -0.127 0.000 0.934 71 T CA -1.160 60.806 62.100 -0.222 0.000 1.091 71 T CB 1.199 69.640 68.868 -0.711 0.000 0.896 71 T HN 0.219 nan 8.240 nan 0.000 0.515 72 P HA 0.299 nan 4.420 nan 0.000 0.282 72 P C -0.177 177.084 177.300 -0.066 0.000 1.249 72 P CA -0.597 62.328 63.100 -0.292 0.000 0.806 72 P CB 1.061 32.610 31.700 -0.253 0.000 0.984 73 E N 0.576 120.729 120.200 -0.078 0.000 2.392 73 E HA 0.037 4.390 4.350 0.004 0.000 0.256 73 E C 0.664 177.314 176.600 0.084 0.000 1.145 73 E CA -0.362 56.096 56.400 0.096 0.000 0.929 73 E CB 0.129 29.853 29.700 0.039 0.000 0.998 73 E HN 0.363 nan 8.360 nan 0.000 0.442 74 F N 1.677 121.621 119.950 -0.010 0.000 2.126 74 F HA -0.195 4.335 4.527 0.004 0.000 0.299 74 F C 1.804 177.580 175.800 -0.040 0.000 1.096 74 F CA 1.305 59.293 58.000 -0.019 0.000 1.255 74 F CB -0.281 38.714 39.000 -0.008 0.000 0.997 74 F HN 0.448 nan 8.300 nan 0.000 0.479 75 L N -0.131 120.997 121.223 -0.159 0.000 2.046 75 L HA -0.204 4.139 4.340 0.004 0.000 0.208 75 L C 2.256 178.989 176.870 -0.227 0.000 1.077 75 L CA 2.470 57.161 54.840 -0.248 0.000 0.747 75 L CB -1.072 40.916 42.059 -0.119 0.000 0.896 75 L HN 0.178 nan 8.230 nan 0.000 0.432 76 T N -0.926 113.511 114.554 -0.195 0.000 2.777 76 T HA -0.192 4.160 4.350 0.004 0.000 0.266 76 T C 1.973 176.557 174.700 -0.194 0.000 1.040 76 T CA 1.454 63.414 62.100 -0.232 0.000 1.141 76 T CB -0.280 68.332 68.868 -0.427 0.000 0.868 76 T HN 0.331 nan 8.240 nan 0.000 0.444 77 R N 0.694 121.095 120.500 -0.164 0.000 2.073 77 R HA -0.026 4.317 4.340 0.004 0.000 0.234 77 R C 2.332 178.570 176.300 -0.104 0.000 1.134 77 R CA 1.359 57.406 56.100 -0.089 0.000 0.952 77 R CB -0.421 29.878 30.300 -0.001 0.000 0.850 77 R HN 0.393 nan 8.270 nan 0.000 0.433 78 I N 0.320 120.770 120.570 -0.200 0.000 2.252 78 I HA -0.266 3.906 4.170 0.004 0.000 0.245 78 I C 2.639 178.678 176.117 -0.129 0.000 1.102 78 I CA 1.200 62.384 61.300 -0.193 0.000 1.385 78 I CB -0.314 37.492 38.000 -0.323 0.000 1.064 78 I HN 0.047 nan 8.210 nan 0.000 0.414 79 K N 1.125 121.446 120.400 -0.133 0.000 2.147 79 K HA -0.070 4.253 4.320 0.004 0.000 0.205 79 K C 1.939 178.514 176.600 -0.043 0.000 1.049 79 K CA 1.073 57.309 56.287 -0.085 0.000 0.936 79 K CB -0.610 31.837 32.500 -0.089 0.000 0.722 79 K HN 0.385 nan 8.250 nan 0.000 0.446 80 L N -0.071 121.131 121.223 -0.035 0.000 2.109 80 L HA 0.015 4.358 4.340 0.004 0.000 0.207 80 L C 2.462 179.333 176.870 0.002 0.000 1.086 80 L CA 1.195 56.039 54.840 0.006 0.000 0.760 80 L CB -0.305 41.773 42.059 0.033 0.000 0.910 80 L HN 0.198 nan 8.230 nan 0.000 0.437 81 L N -0.745 120.469 121.223 -0.015 0.000 2.275 81 L HA -0.173 4.170 4.340 0.004 0.000 0.215 81 L C 2.128 178.989 176.870 -0.016 0.000 1.119 81 L CA 0.910 55.743 54.840 -0.012 0.000 0.790 81 L CB -0.148 41.900 42.059 -0.018 0.000 0.919 81 L HN 0.281 nan 8.230 nan 0.000 0.443 82 L N -1.174 120.035 121.223 -0.023 0.000 2.408 82 L HA 0.038 4.381 4.340 0.004 0.000 0.215 82 L C 1.209 178.073 176.870 -0.010 0.000 1.081 82 L CA 0.024 54.850 54.840 -0.024 0.000 0.840 82 L CB -0.032 42.004 42.059 -0.039 0.000 1.002 82 L HN 0.039 nan 8.230 nan 0.000 0.468 83 K N 2.691 123.093 120.400 0.003 0.000 2.419 83 K HA 0.122 4.444 4.320 0.004 0.000 0.282 83 K C -2.160 174.456 176.600 0.028 0.000 1.056 83 K CA -1.419 54.882 56.287 0.024 0.000 1.035 83 K CB 0.567 33.089 32.500 0.036 0.000 0.921 83 K HN -0.123 nan 8.250 nan 0.000 0.472 84 P HA 0.047 nan 4.420 nan 0.000 0.280 84 P C -0.767 176.564 177.300 0.052 0.000 1.244 84 P CA -0.491 62.631 63.100 0.038 0.000 0.784 84 P CB 0.916 32.641 31.700 0.042 0.000 0.913 85 T N 0.702 115.283 114.554 0.044 0.000 2.932 85 T HA 0.079 4.432 4.350 0.004 0.000 0.312 85 T C -1.720 173.023 174.700 0.072 0.000 1.071 85 T CA -1.033 61.095 62.100 0.047 0.000 1.128 85 T CB -0.264 68.623 68.868 0.031 0.000 0.984 85 T HN 0.193 nan 8.240 nan 0.000 0.549 86 P HA -0.117 nan 4.420 nan 0.000 0.216 86 P C 1.383 178.764 177.300 0.135 0.000 1.150 86 P CA 0.963 64.123 63.100 0.100 0.000 0.843 86 P CB -0.012 31.732 31.700 0.073 0.000 0.787 87 N N -1.698 117.067 118.700 0.109 0.000 2.396 87 N HA -0.052 4.691 4.740 0.004 0.000 0.180 87 N C 1.477 177.109 175.510 0.204 0.000 1.028 87 N CA 1.220 54.357 53.050 0.144 0.000 0.893 87 N CB -0.716 37.823 38.487 0.087 0.000 0.967 87 N HN 0.207 nan 8.380 nan 0.000 0.440 88 T N 0.487 115.130 114.554 0.148 0.000 2.851 88 T HA 0.015 4.367 4.350 0.004 0.000 0.262 88 T C 2.213 177.042 174.700 0.216 0.000 1.043 88 T CA 0.478 62.667 62.100 0.148 0.000 1.140 88 T CB -0.163 68.749 68.868 0.073 0.000 0.872 88 T HN -0.060 nan 8.240 nan 0.000 0.446 89 V N 1.605 121.625 119.914 0.178 0.000 2.407 89 V HA -0.209 3.914 4.120 0.004 0.000 0.248 89 V C 2.436 178.623 176.094 0.155 0.000 1.055 89 V CA 1.647 64.039 62.300 0.154 0.000 1.049 89 V CB -0.736 31.161 31.823 0.124 0.000 0.662 89 V HN 0.634 nan 8.190 nan 0.000 0.455 90 H N -1.121 118.026 119.070 0.128 0.000 2.353 90 H HA -0.239 4.319 4.556 0.004 0.000 0.300 90 H C 2.304 177.747 175.328 0.191 0.000 1.090 90 H CA 2.395 58.525 56.048 0.137 0.000 1.327 90 H CB -0.136 29.728 29.762 0.170 0.000 1.383 90 H HN 0.532 nan 8.280 nan 0.000 0.508 91 Y N 1.167 121.587 120.300 0.201 0.000 2.097 91 Y HA -0.216 4.337 4.550 0.004 0.000 0.282 91 Y C 2.726 178.797 175.900 0.285 0.000 1.152 91 Y CA 2.051 60.280 58.100 0.215 0.000 1.136 91 Y CB -0.485 38.041 38.460 0.109 0.000 0.975 91 Y HN 0.103 nan 8.280 nan 0.000 0.498 92 I N -0.109 120.763 120.570 0.503 0.000 2.163 92 I HA -0.357 3.815 4.170 0.004 0.000 0.243 92 I C 2.199 178.665 176.117 0.582 0.000 1.085 92 I CA 1.534 63.216 61.300 0.637 0.000 1.347 92 I CB -0.484 37.794 38.000 0.465 0.000 1.044 92 I HN 0.260 nan 8.210 nan 0.000 0.408 93 L N 0.092 121.385 121.223 0.116 0.000 2.291 93 L HA -0.103 4.239 4.340 0.004 0.000 0.214 93 L C 2.078 178.709 176.870 -0.399 0.000 1.120 93 L CA 1.390 56.002 54.840 -0.381 0.000 0.799 93 L CB -0.570 40.868 42.059 -1.035 0.000 0.925 93 L HN 0.429 nan 8.230 nan 0.000 0.446 94 T N -5.181 109.206 114.554 -0.278 0.000 3.129 94 T HA 0.226 4.579 4.350 0.004 0.000 0.267 94 T C 0.271 174.705 174.700 -0.444 0.000 1.018 94 T CA -0.330 61.481 62.100 -0.483 0.000 0.903 94 T CB -0.052 68.470 68.868 -0.577 0.000 1.067 94 T HN 0.189 nan 8.240 nan 0.000 0.549 95 H N -0.708 118.343 119.070 -0.032 0.000 3.043 95 H HA 0.587 5.146 4.556 0.004 0.000 0.302 95 H C -0.584 174.856 175.328 0.186 0.000 1.506 95 H CA -1.697 54.243 56.048 -0.181 0.000 1.282 95 H CB 0.420 29.597 29.762 -0.975 0.000 1.914 95 H HN 0.043 nan 8.280 nan 0.000 0.625 96 F N -0.246 119.863 119.950 0.266 0.000 3.004 96 F HA -0.282 4.247 4.527 0.004 0.000 0.264 96 F C 1.622 177.487 175.800 0.108 0.000 0.979 96 F CA 0.657 58.727 58.000 0.116 0.000 0.896 96 F CB -1.058 37.944 39.000 0.002 0.000 0.813 96 F HN 0.493 nan 8.300 nan 0.000 0.804 97 K N 1.050 121.495 120.400 0.074 0.000 2.113 97 K HA -0.180 4.143 4.320 0.004 0.000 0.208 97 K C 2.299 178.916 176.600 0.028 0.000 1.047 97 K CA 1.659 57.859 56.287 -0.146 0.000 0.928 97 K CB -0.536 31.666 32.500 -0.497 0.000 0.716 97 K HN 0.600 nan 8.250 nan 0.000 0.446 98 G N 0.104 108.920 108.800 0.026 0.000 2.422 98 G HA2 -0.195 3.767 3.960 0.004 0.000 0.218 98 G HA3 -0.195 3.767 3.960 0.004 0.000 0.218 98 G C 1.422 176.330 174.900 0.012 0.000 1.146 98 G CA 0.903 46.017 45.100 0.022 0.000 0.769 98 G HN 0.208 nan 8.290 nan 0.000 0.547 99 V N -0.607 119.284 119.914 -0.037 0.000 2.379 99 V HA -0.103 4.020 4.120 0.004 0.000 0.245 99 V C 2.387 178.384 176.094 -0.163 0.000 1.044 99 V CA 1.412 63.604 62.300 -0.181 0.000 1.036 99 V CB -0.687 30.908 31.823 -0.379 0.000 0.664 99 V HN 0.584 nan 8.190 nan 0.000 0.453 100 W N 0.228 121.592 121.300 0.107 0.000 2.388 100 W HA -0.087 4.576 4.660 0.004 0.000 0.294 100 W C 2.519 179.110 176.519 0.120 0.000 1.212 100 W CA 0.693 58.127 57.345 0.149 0.000 1.271 100 W CB -0.492 29.101 29.460 0.221 0.000 1.126 100 W HN 0.210 nan 8.180 nan 0.000 0.535 101 N N 0.703 119.563 118.700 0.267 0.000 2.149 101 N HA -0.179 4.564 4.740 0.004 0.000 0.188 101 N C 1.475 177.064 175.510 0.131 0.000 1.019 101 N CA 1.667 54.815 53.050 0.162 0.000 0.857 101 N CB -0.615 37.926 38.487 0.091 0.000 0.997 101 N HN 0.222 nan 8.380 nan 0.000 0.426 102 I N 0.047 120.677 120.570 0.100 0.000 2.193 102 I HA -0.182 3.990 4.170 0.004 0.000 0.240 102 I C 2.139 178.321 176.117 0.109 0.000 1.084 102 I CA 0.607 61.950 61.300 0.071 0.000 1.365 102 I CB -0.301 37.710 38.000 0.018 0.000 1.064 102 I HN -0.119 nan 8.210 nan 0.000 0.410 103 V N 0.978 120.978 119.914 0.143 0.000 2.287 103 V HA -0.263 3.859 4.120 0.004 0.000 0.248 103 V C 1.402 177.670 176.094 0.289 0.000 1.053 103 V CA 1.632 64.063 62.300 0.218 0.000 1.027 103 V CB -0.902 31.097 31.823 0.292 0.000 0.646 103 V HN 0.458 nan 8.190 nan 0.000 0.447 104 N N 0.654 119.545 118.700 0.318 0.000 2.719 104 N HA 0.011 4.753 4.740 0.004 0.000 0.207 104 N C 0.232 175.824 175.510 0.137 0.000 1.551 104 N CA 0.230 53.411 53.050 0.218 0.000 0.914 104 N CB -1.171 37.418 38.487 0.170 0.000 1.215 104 N HN 0.511 nan 8.380 nan 0.000 0.480 105 I N 1.007 121.651 120.570 0.123 0.000 2.732 105 I HA -0.294 3.879 4.170 0.004 0.000 0.127 105 I C -0.847 175.366 176.117 0.159 0.000 0.882 105 I CA -0.503 60.878 61.300 0.135 0.000 2.785 105 I CB -0.159 37.928 38.000 0.145 0.000 0.553 105 I HN 0.095 nan 8.210 nan 0.000 0.352 106 P HA -0.272 nan 4.420 nan 0.000 0.216 106 P C 1.525 178.924 177.300 0.165 0.000 1.157 106 P CA 1.762 64.944 63.100 0.136 0.000 0.880 106 P CB -0.020 31.752 31.700 0.120 0.000 0.791 107 F N 0.180 120.167 119.950 0.061 0.000 2.171 107 F HA -0.156 4.373 4.527 0.004 0.000 0.300 107 F C 2.134 177.977 175.800 0.071 0.000 1.090 107 F CA 1.184 59.218 58.000 0.057 0.000 1.293 107 F CB -0.845 38.181 39.000 0.042 0.000 1.013 107 F HN -0.253 nan 8.300 nan 0.000 0.486 108 L N 0.452 121.721 121.223 0.077 0.000 2.095 108 L HA -0.003 4.339 4.340 0.004 0.000 0.204 108 L C 2.660 179.563 176.870 0.055 0.000 1.080 108 L CA 1.417 56.258 54.840 0.002 0.000 0.759 108 L CB -0.845 41.292 42.059 0.131 0.000 0.914 108 L HN 0.062 nan 8.230 nan 0.000 0.439 109 R N -1.239 119.364 120.500 0.171 0.000 2.081 109 R HA -0.150 4.193 4.340 0.004 0.000 0.235 109 R C 2.255 178.702 176.300 0.245 0.000 1.131 109 R CA 1.731 58.026 56.100 0.325 0.000 0.960 109 R CB -0.156 30.285 30.300 0.235 0.000 0.856 109 R HN 0.320 nan 8.270 nan 0.000 0.436 110 S N 0.966 116.713 115.700 0.078 0.000 2.368 110 S HA -0.143 4.329 4.470 0.004 0.000 0.225 110 S C 1.741 176.316 174.600 -0.041 0.000 1.030 110 S CA 1.034 59.242 58.200 0.013 0.000 0.999 110 S CB -0.247 62.932 63.200 -0.035 0.000 0.844 110 S HN 0.237 nan 8.310 nan 0.000 0.459 111 L N 1.709 122.831 121.223 -0.168 0.000 2.012 111 L HA -0.034 4.308 4.340 0.004 0.000 0.210 111 L C 1.956 178.786 176.870 -0.067 0.000 1.073 111 L CA 1.612 56.333 54.840 -0.199 0.000 0.748 111 L CB -0.435 41.395 42.059 -0.382 0.000 0.891 111 L HN 0.307 nan 8.230 nan 0.000 0.431 112 I N -1.665 118.877 120.570 -0.046 0.000 2.202 112 I HA -0.306 3.866 4.170 0.004 0.000 0.242 112 I C 2.426 178.544 176.117 0.003 0.000 1.091 112 I CA 1.291 62.530 61.300 -0.102 0.000 1.368 112 I CB -0.257 37.524 38.000 -0.364 0.000 1.058 112 I HN 0.354 nan 8.210 nan 0.000 0.410 113 M N 1.153 120.868 119.600 0.193 0.000 2.149 113 M HA -0.242 4.241 4.480 0.004 0.000 0.261 113 M C 2.145 178.515 176.300 0.116 0.000 1.064 113 M CA 1.836 57.293 55.300 0.262 0.000 1.102 113 M CB -0.492 32.281 32.600 0.289 0.000 1.369 113 M HN -0.017 nan 8.290 nan 0.000 0.408 114 K N -1.616 118.822 120.400 0.063 0.000 2.057 114 K HA -0.237 4.085 4.320 0.004 0.000 0.207 114 K C 2.099 178.731 176.600 0.053 0.000 1.049 114 K CA 1.703 58.004 56.287 0.023 0.000 0.931 114 K CB -0.455 32.045 32.500 -0.001 0.000 0.714 114 K HN 0.445 nan 8.250 nan 0.000 0.440 115 Y N 0.907 121.186 120.300 -0.035 0.000 2.163 115 Y HA -0.207 4.346 4.550 0.004 0.000 0.288 115 Y C 1.920 177.818 175.900 -0.003 0.000 1.136 115 Y CA 1.296 59.378 58.100 -0.030 0.000 1.147 115 Y CB -0.299 38.129 38.460 -0.053 0.000 0.987 115 Y HN -0.170 nan 8.280 nan 0.000 0.509 116 V N 0.593 120.555 119.914 0.080 0.000 2.278 116 V HA -0.388 3.734 4.120 0.004 0.000 0.251 116 V C 2.455 178.548 176.094 -0.002 0.000 1.062 116 V CA 2.303 64.635 62.300 0.053 0.000 1.038 116 V CB -0.854 31.063 31.823 0.157 0.000 0.646 116 V HN 0.452 nan 8.190 nan 0.000 0.447 117 L N 0.054 121.279 121.223 0.003 0.000 2.027 117 L HA -0.158 4.184 4.340 0.004 0.000 0.206 117 L C 2.799 179.653 176.870 -0.027 0.000 1.074 117 L CA 2.170 57.003 54.840 -0.011 0.000 0.745 117 L CB -1.075 40.948 42.059 -0.060 0.000 0.898 117 L HN 0.591 nan 8.230 nan 0.000 0.433 118 T N -3.396 111.110 114.554 -0.080 0.000 2.857 118 T HA -0.133 4.220 4.350 0.004 0.000 0.266 118 T C 2.018 176.644 174.700 -0.122 0.000 1.048 118 T CA 1.120 63.180 62.100 -0.066 0.000 1.139 118 T CB -0.553 68.267 68.868 -0.081 0.000 0.874 118 T HN 0.414 nan 8.240 nan 0.000 0.455 119 S N 1.694 117.203 115.700 -0.319 0.000 2.423 119 S HA -0.002 4.470 4.470 0.004 0.000 0.231 119 S C 2.179 176.725 174.600 -0.090 0.000 1.014 119 S CA 0.316 58.312 58.200 -0.341 0.000 0.965 119 S CB -0.405 62.375 63.200 -0.701 0.000 0.785 119 S HN 0.544 nan 8.310 nan 0.000 0.495 120 R N 0.505 120.981 120.500 -0.039 0.000 2.156 120 R HA 0.226 4.569 4.340 0.004 0.000 0.207 120 R C 2.662 178.995 176.300 0.055 0.000 1.040 120 R CA 0.796 56.913 56.100 0.027 0.000 1.013 120 R CB -0.545 29.776 30.300 0.035 0.000 0.931 120 R HN 0.485 nan 8.270 nan 0.000 0.465 121 S N 0.673 116.425 115.700 0.088 0.000 2.383 121 S HA -0.232 4.241 4.470 0.004 0.000 0.229 121 S C 1.763 176.408 174.600 0.076 0.000 1.030 121 S CA 1.197 59.469 58.200 0.120 0.000 1.002 121 S CB -0.292 63.067 63.200 0.265 0.000 0.829 121 S HN 0.440 nan 8.310 nan 0.000 0.467 122 Y N 1.515 121.794 120.300 -0.034 0.000 2.384 122 Y HA 0.011 4.563 4.550 0.004 0.000 0.289 122 Y C 1.580 177.428 175.900 -0.087 0.000 1.152 122 Y CA 1.281 59.346 58.100 -0.058 0.000 1.258 122 Y CB -0.232 38.194 38.460 -0.056 0.000 0.979 122 Y HN 0.293 nan 8.280 nan 0.000 0.549 123 L N 0.198 121.354 121.223 -0.112 0.000 2.554 123 L HA -0.011 4.332 4.340 0.004 0.000 0.226 123 L C -0.187 176.497 176.870 -0.311 0.000 1.137 123 L CA -0.034 54.653 54.840 -0.254 0.000 0.863 123 L CB -0.070 41.916 42.059 -0.121 0.000 0.985 123 L HN 0.040 nan 8.230 nan 0.000 0.451 124 I N -0.471 119.975 120.570 -0.206 0.000 2.377 124 I HA 0.195 4.367 4.170 0.004 0.000 0.293 124 I C -0.335 175.684 176.117 -0.163 0.000 0.987 124 I CA -0.833 60.386 61.300 -0.135 0.000 1.185 124 I CB 1.150 39.123 38.000 -0.046 0.000 1.341 124 I HN -0.138 nan 8.210 nan 0.000 0.455 125 D N 4.020 124.342 120.400 -0.132 0.000 2.358 125 D HA 0.195 4.837 4.640 0.004 0.000 0.258 125 D C 0.036 176.260 176.300 -0.126 0.000 1.223 125 D CA 0.524 54.434 54.000 -0.150 0.000 0.886 125 D CB 0.859 41.566 40.800 -0.155 0.000 1.120 125 D HN 0.394 nan 8.370 nan 0.000 0.482 126 S N 2.723 118.336 115.700 -0.145 0.000 2.737 126 S HA 0.398 4.870 4.470 0.004 0.000 0.269 126 S C -2.713 171.810 174.600 -0.127 0.000 1.150 126 S CA -1.287 56.831 58.200 -0.137 0.000 1.077 126 S CB 0.772 63.862 63.200 -0.184 0.000 1.075 126 S HN 0.027 nan 8.310 nan 0.000 0.476 127 P HA 0.230 nan 4.420 nan 0.000 0.267 127 P C -2.443 174.818 177.300 -0.064 0.000 1.200 127 P CA -0.730 62.352 63.100 -0.031 0.000 0.772 127 P CB -0.029 31.657 31.700 -0.024 0.000 0.855 128 P HA 0.012 nan 4.420 nan 0.000 0.272 128 P C 0.124 177.330 177.300 -0.157 0.000 1.240 128 P CA 0.039 63.075 63.100 -0.108 0.000 0.791 128 P CB 0.729 32.350 31.700 -0.131 0.000 0.978 129 T N -2.092 112.301 114.554 -0.267 0.000 3.463 129 T HA 0.186 4.538 4.350 0.004 0.000 0.203 129 T C 0.407 174.842 174.700 -0.441 0.000 0.955 129 T CA 0.157 61.964 62.100 -0.489 0.000 1.230 129 T CB -0.702 67.619 68.868 -0.912 0.000 1.392 129 T HN 0.235 nan 8.240 nan 0.000 0.361 130 Y N 3.687 123.935 120.300 -0.086 0.000 2.374 130 Y HA 0.673 5.225 4.550 0.004 0.000 0.322 130 Y C 0.663 176.489 175.900 -0.123 0.000 1.275 130 Y CA -1.080 56.958 58.100 -0.104 0.000 1.307 130 Y CB 0.503 38.915 38.460 -0.081 0.000 1.282 130 Y HN 0.726 nan 8.280 nan 0.000 0.509 131 N N -2.466 116.244 118.700 0.018 0.000 3.157 131 N HA 0.225 4.968 4.740 0.004 0.000 0.291 131 N C -0.108 175.352 175.510 -0.082 0.000 1.515 131 N CA -0.751 52.245 53.050 -0.090 0.000 0.807 131 N CB 0.524 38.809 38.487 -0.335 0.000 1.672 131 N HN 0.402 nan 8.380 nan 0.000 0.592 132 V N -0.235 119.612 119.914 -0.111 0.000 2.453 132 V HA -0.249 3.874 4.120 0.004 0.000 0.252 132 V C 1.165 177.242 176.094 -0.028 0.000 1.068 132 V CA 2.063 64.316 62.300 -0.078 0.000 1.070 132 V CB -0.941 30.794 31.823 -0.146 0.000 0.664 132 V HN 0.716 nan 8.190 nan 0.000 0.461 133 H N -3.237 115.747 119.070 -0.143 0.000 2.592 133 H HA 0.213 4.771 4.556 0.004 0.000 0.265 133 H C -0.440 174.467 175.328 -0.701 0.000 0.955 133 H CA 0.005 55.852 56.048 -0.336 0.000 1.175 133 H CB 0.453 30.039 29.762 -0.293 0.000 1.433 133 H HN 0.478 nan 8.280 nan 0.000 0.537 134 Y N -0.025 120.170 120.300 -0.176 0.000 2.363 134 Y HA 0.306 4.858 4.550 0.004 0.000 0.325 134 Y C 0.779 176.506 175.900 -0.290 0.000 0.984 134 Y CA -0.846 57.010 58.100 -0.408 0.000 1.248 134 Y CB 1.756 39.910 38.460 -0.510 0.000 1.116 134 Y HN 0.062 nan 8.280 nan 0.000 0.470 135 G N 2.637 111.322 108.800 -0.191 0.000 3.383 135 G HA2 0.223 4.186 3.960 0.004 0.000 0.251 135 G HA3 0.223 4.186 3.960 0.004 0.000 0.251 135 G C -0.604 174.305 174.900 0.014 0.000 1.203 135 G CA 0.143 45.150 45.100 -0.155 0.000 0.852 135 G HN 0.572 nan 8.290 nan 0.000 0.531 136 Y N -3.248 117.210 120.300 0.262 0.000 2.581 136 Y HA 0.666 5.218 4.550 0.004 0.000 0.337 136 Y C -0.305 175.791 175.900 0.327 0.000 1.108 136 Y CA -2.208 56.082 58.100 0.317 0.000 1.033 136 Y CB 0.907 39.485 38.460 0.197 0.000 1.318 136 Y HN -0.201 nan 8.280 nan 0.000 0.459 137 K N 2.018 122.629 120.400 0.353 0.000 2.448 137 K HA 0.508 4.831 4.320 0.004 0.000 0.278 137 K C -0.414 176.280 176.600 0.157 0.000 1.009 137 K CA 0.457 56.799 56.287 0.092 0.000 0.995 137 K CB 0.560 33.062 32.500 0.003 0.000 0.917 137 K HN 0.881 nan 8.250 nan 0.000 0.481 138 S N 1.421 117.104 115.700 -0.028 0.000 2.547 138 S HA 0.163 4.636 4.470 0.004 0.000 0.270 138 S C 0.035 174.603 174.600 -0.054 0.000 1.150 138 S CA -1.110 57.079 58.200 -0.018 0.000 0.850 138 S CB 0.525 63.597 63.200 -0.213 0.000 1.118 138 S HN 0.872 nan 8.310 nan 0.000 0.461 139 W N 1.460 122.711 121.300 -0.082 0.000 2.374 139 W HA -0.101 4.561 4.660 0.004 0.000 0.288 139 W C 1.605 178.100 176.519 -0.040 0.000 1.218 139 W CA 2.273 59.611 57.345 -0.011 0.000 1.245 139 W CB -0.100 29.368 29.460 0.012 0.000 1.126 139 W HN 1.055 nan 8.180 nan 0.000 0.545 140 E N 0.814 120.974 120.200 -0.067 0.000 2.051 140 E HA -0.180 4.172 4.350 0.004 0.000 0.192 140 E C 2.208 178.608 176.600 -0.333 0.000 0.991 140 E CA 2.450 58.745 56.400 -0.176 0.000 0.799 140 E CB -0.757 28.780 29.700 -0.271 0.000 0.748 140 E HN 0.078 nan 8.360 nan 0.000 0.449 141 A N -0.165 122.315 122.820 -0.566 0.000 1.902 141 A HA -0.127 4.196 4.320 0.004 0.000 0.217 141 A C 2.240 179.623 177.584 -0.334 0.000 1.181 141 A CA 1.498 53.249 52.037 -0.478 0.000 0.623 141 A CB -0.976 17.760 19.000 -0.439 0.000 0.818 141 A HN 0.474 nan 8.150 nan 0.000 0.443 142 F N 1.857 121.514 119.950 -0.489 0.000 2.113 142 F HA -0.160 4.370 4.527 0.004 0.000 0.297 142 F C 2.682 178.168 175.800 -0.524 0.000 1.103 142 F CA 2.171 59.837 58.000 -0.556 0.000 1.248 142 F CB -0.350 38.178 39.000 -0.788 0.000 0.999 142 F HN 0.290 nan 8.300 nan 0.000 0.475 143 S N -0.628 114.656 115.700 -0.694 0.000 2.446 143 S HA -0.039 4.433 4.470 0.004 0.000 0.225 143 S C 0.966 175.381 174.600 -0.308 0.000 1.016 143 S CA 0.144 57.993 58.200 -0.585 0.000 0.943 143 S CB -0.758 62.291 63.200 -0.253 0.000 0.786 143 S HN 0.374 nan 8.310 nan 0.000 0.508 144 N N 1.934 120.539 118.700 -0.159 0.000 2.415 144 N HA 0.224 4.966 4.740 0.004 0.000 0.250 144 N C 0.403 175.934 175.510 0.034 0.000 1.127 144 N CA -0.131 52.945 53.050 0.043 0.000 0.945 144 N CB 0.464 39.132 38.487 0.302 0.000 1.196 144 N HN 0.394 nan 8.380 nan 0.000 0.499 145 L N 1.709 122.918 121.223 -0.023 0.000 2.552 145 L HA 0.013 4.356 4.340 0.004 0.000 0.227 145 L C 1.773 178.738 176.870 0.159 0.000 1.146 145 L CA 0.206 55.053 54.840 0.013 0.000 0.858 145 L CB -0.045 42.014 42.059 0.000 0.000 0.969 145 L HN 0.403 nan 8.230 nan 0.000 0.451 146 S N -1.385 114.363 115.700 0.080 0.000 2.453 146 S HA -0.027 4.446 4.470 0.004 0.000 0.231 146 S C 0.432 175.035 174.600 0.004 0.000 1.005 146 S CA 0.453 58.662 58.200 0.015 0.000 0.949 146 S CB -0.148 63.038 63.200 -0.024 0.000 0.774 146 S HN 0.230 nan 8.310 nan 0.000 0.510 147 Y N 0.650 120.961 120.300 0.018 0.000 2.309 147 Y HA 0.271 4.823 4.550 0.004 0.000 0.327 147 Y C 0.226 176.069 175.900 -0.095 0.000 1.172 147 Y CA -0.946 57.041 58.100 -0.188 0.000 1.280 147 Y CB 0.162 38.501 38.460 -0.201 0.000 1.234 147 Y HN 0.068 nan 8.280 nan 0.000 0.512 148 Y N 0.995 121.354 120.300 0.097 0.000 2.497 148 Y HA 0.053 4.605 4.550 0.004 0.000 0.334 148 Y C 1.082 177.020 175.900 0.062 0.000 1.199 148 Y CA 0.032 58.203 58.100 0.118 0.000 1.425 148 Y CB 0.440 38.928 38.460 0.047 0.000 1.291 148 Y HN 0.566 nan 8.280 nan 0.000 0.562 149 T N 3.269 117.949 114.554 0.210 0.000 2.732 149 T HA 0.417 4.770 4.350 0.004 0.000 0.287 149 T C -0.318 174.436 174.700 0.090 0.000 0.993 149 T CA -0.658 61.486 62.100 0.073 0.000 0.966 149 T CB 0.320 69.189 68.868 0.001 0.000 1.047 149 T HN 0.425 nan 8.240 nan 0.000 0.527 150 R N 0.779 121.330 120.500 0.086 0.000 2.532 150 R HA 0.537 4.879 4.340 0.004 0.000 0.297 150 R C 0.621 177.038 176.300 0.196 0.000 0.984 150 R CA -0.455 55.714 56.100 0.114 0.000 0.884 150 R CB 1.429 31.785 30.300 0.094 0.000 1.182 150 R HN 0.709 nan 8.270 nan 0.000 0.442 151 A N 3.721 126.698 122.820 0.262 0.000 1.969 151 A HA 0.106 4.428 4.320 0.004 0.000 0.218 151 A C 0.679 178.385 177.584 0.203 0.000 1.169 151 A CA 1.030 53.271 52.037 0.339 0.000 0.635 151 A CB 0.190 19.600 19.000 0.683 0.000 0.810 151 A HN 0.475 nan 8.150 nan 0.000 0.445 152 L N 0.302 121.599 121.223 0.123 0.000 2.381 152 L HA 0.375 4.717 4.340 0.004 0.000 0.268 152 L C -2.529 174.240 176.870 -0.169 0.000 0.997 152 L CA -2.593 52.168 54.840 -0.133 0.000 0.818 152 L CB 2.530 44.300 42.059 -0.482 0.000 1.310 152 L HN -0.008 nan 8.230 nan 0.000 0.416 153 P HA 0.108 nan 4.420 nan 0.000 0.268 153 P C -2.666 174.493 177.300 -0.236 0.000 1.208 153 P CA -1.084 61.741 63.100 -0.459 0.000 0.777 153 P CB -0.346 30.902 31.700 -0.754 0.000 0.875 154 P HA 0.019 nan 4.420 nan 0.000 0.272 154 P C -0.190 177.054 177.300 -0.093 0.000 1.223 154 P CA -0.033 63.031 63.100 -0.060 0.000 0.784 154 P CB 0.352 32.046 31.700 -0.010 0.000 0.923 155 V N 1.858 121.746 119.914 -0.044 0.000 2.599 155 V HA 0.089 4.212 4.120 0.004 0.000 0.300 155 V C 1.294 177.351 176.094 -0.061 0.000 1.034 155 V CA 0.041 62.306 62.300 -0.059 0.000 1.115 155 V CB -0.370 31.447 31.823 -0.010 0.000 0.934 155 V HN 0.751 nan 8.190 nan 0.000 0.485 156 A N 3.993 126.747 122.820 -0.110 0.000 2.507 156 A HA 0.066 4.388 4.320 0.004 0.000 0.235 156 A C 1.200 178.778 177.584 -0.010 0.000 1.070 156 A CA -0.130 51.852 52.037 -0.091 0.000 0.768 156 A CB -0.052 18.849 19.000 -0.165 0.000 1.011 156 A HN 0.908 nan 8.150 nan 0.000 0.502 157 D N 0.439 120.851 120.400 0.020 0.000 2.178 157 D HA -0.122 4.521 4.640 0.004 0.000 0.201 157 D C 1.009 177.339 176.300 0.050 0.000 0.980 157 D CA 1.798 55.820 54.000 0.037 0.000 0.842 157 D CB -0.048 40.776 40.800 0.041 0.000 0.948 157 D HN 0.769 nan 8.370 nan 0.000 0.472 158 D N -0.457 119.990 120.400 0.079 0.000 2.328 158 D HA -0.037 4.606 4.640 0.004 0.000 0.221 158 D C 0.165 176.517 176.300 0.087 0.000 1.072 158 D CA -0.320 53.740 54.000 0.100 0.000 0.850 158 D CB -0.941 39.947 40.800 0.147 0.000 0.922 158 D HN -0.003 nan 8.370 nan 0.000 0.516 159 c N 2.862 121.482 118.600 0.033 0.000 2.611 159 c HA 0.082 4.654 4.570 0.004 0.000 0.416 159 c C -0.353 173.671 174.090 -0.109 0.000 1.366 159 c CA -0.854 55.429 56.329 -0.077 0.000 1.761 159 c CB 0.769 43.239 42.510 -0.066 0.000 2.619 159 c HN 0.325 nan 8.230 nan 0.000 0.606 160 P HA -0.019 nan 4.420 nan 0.000 0.230 160 P C 0.319 177.576 177.300 -0.071 0.000 1.158 160 P CA 1.232 64.254 63.100 -0.131 0.000 0.769 160 P CB 0.180 31.771 31.700 -0.182 0.000 0.807 161 T N -0.260 114.251 114.554 -0.072 0.000 2.912 161 T HA 0.347 4.699 4.350 0.004 0.000 0.299 161 T C -2.206 172.489 174.700 -0.009 0.000 1.052 161 T CA -1.462 60.621 62.100 -0.028 0.000 0.996 161 T CB 2.231 71.085 68.868 -0.024 0.000 1.070 161 T HN -0.314 nan 8.240 nan 0.000 0.465 162 P HA -0.054 nan 4.420 nan 0.000 0.216 162 P C 1.084 178.411 177.300 0.045 0.000 1.150 162 P CA 1.218 64.339 63.100 0.035 0.000 0.843 162 P CB 0.148 31.879 31.700 0.051 0.000 0.787 163 M N -2.422 117.206 119.600 0.046 0.000 2.419 163 M HA 0.332 4.814 4.480 0.004 0.000 0.252 163 M C 1.272 177.575 176.300 0.005 0.000 1.143 163 M CA 0.413 55.739 55.300 0.044 0.000 0.985 163 M CB -0.345 32.296 32.600 0.069 0.000 1.489 163 M HN 0.097 nan 8.290 nan 0.000 0.484 164 G N 0.674 109.463 108.800 -0.018 0.000 2.601 164 G HA2 -0.242 3.720 3.960 0.004 0.000 0.233 164 G HA3 -0.242 3.720 3.960 0.004 0.000 0.233 164 G C 0.357 175.213 174.900 -0.073 0.000 1.896 164 G CA 0.374 45.445 45.100 -0.049 0.000 1.514 164 G HN 0.369 nan 8.290 nan 0.000 0.512 165 V N -1.871 118.016 119.914 -0.045 0.000 3.480 165 V HA 0.540 4.662 4.120 0.004 0.000 0.263 165 V C 0.742 176.828 176.094 -0.013 0.000 1.442 165 V CA 1.198 63.469 62.300 -0.048 0.000 1.053 165 V CB 0.294 32.102 31.823 -0.024 0.000 0.846 165 V HN 0.420 nan 8.190 nan 0.000 0.440 166 K N 1.456 121.859 120.400 0.004 0.000 2.098 166 K HA 0.656 4.978 4.320 0.004 0.000 0.261 166 K C 0.563 177.189 176.600 0.044 0.000 0.987 166 K CA 0.657 56.959 56.287 0.026 0.000 0.916 166 K CB 1.227 33.744 32.500 0.028 0.000 1.039 166 K HN 0.703 nan 8.250 nan 0.000 0.455 167 G N 1.587 110.421 108.800 0.057 0.000 2.587 167 G HA2 -0.242 3.720 3.960 0.004 0.000 0.212 167 G HA3 -0.242 3.720 3.960 0.004 0.000 0.212 167 G C -0.874 174.055 174.900 0.050 0.000 1.327 167 G CA -0.749 44.396 45.100 0.075 0.000 0.898 167 G HN 0.677 nan 8.290 nan 0.000 0.551 168 N N -0.568 118.160 118.700 0.046 0.000 2.447 168 N HA 0.485 5.228 4.740 0.004 0.000 0.271 168 N C 1.441 176.960 175.510 0.015 0.000 1.226 168 N CA -0.071 52.993 53.050 0.022 0.000 0.980 168 N CB 0.883 39.375 38.487 0.008 0.000 1.206 168 N HN 0.453 nan 8.380 nan 0.000 0.558 169 K N 0.118 120.521 120.400 0.006 0.000 2.211 169 K HA 0.012 4.335 4.320 0.004 0.000 0.203 169 K C -0.091 176.510 176.600 0.002 0.000 1.050 169 K CA 1.155 57.444 56.287 0.003 0.000 0.945 169 K CB -0.475 32.026 32.500 0.002 0.000 0.732 169 K HN 0.564 nan 8.250 nan 0.000 0.451 170 E N -0.828 119.369 120.200 -0.006 0.000 2.238 170 E HA 0.418 4.770 4.350 0.004 0.000 0.267 170 E C -0.779 175.804 176.600 -0.028 0.000 0.887 170 E CA -0.520 55.871 56.400 -0.014 0.000 0.769 170 E CB 1.871 31.557 29.700 -0.023 0.000 1.187 170 E HN 0.051 nan 8.360 nan 0.000 0.416 171 L N 3.483 124.689 121.223 -0.028 0.000 2.452 171 L HA 0.248 4.590 4.340 0.004 0.000 0.267 171 L C -1.799 174.977 176.870 -0.157 0.000 1.188 171 L CA -1.696 53.100 54.840 -0.074 0.000 0.821 171 L CB 0.004 42.060 42.059 -0.006 0.000 1.102 171 L HN 0.329 nan 8.230 nan 0.000 0.470 172 P HA -0.079 nan 4.420 nan 0.000 0.267 172 P C -0.683 176.507 177.300 -0.184 0.000 1.200 172 P CA -0.198 62.719 63.100 -0.305 0.000 0.772 172 P CB 0.376 31.750 31.700 -0.543 0.000 0.855 173 D N 1.451 121.779 120.400 -0.120 0.000 2.583 173 D HA -0.077 4.565 4.640 0.004 0.000 0.232 173 D C 1.343 177.609 176.300 -0.057 0.000 1.128 173 D CA 0.548 54.505 54.000 -0.071 0.000 0.859 173 D CB 0.783 41.550 40.800 -0.056 0.000 1.169 173 D HN 0.337 nan 8.370 nan 0.000 0.481 174 S N 4.012 119.694 115.700 -0.029 0.000 2.382 174 S HA -0.187 4.286 4.470 0.004 0.000 0.228 174 S C 1.748 176.351 174.600 0.006 0.000 1.027 174 S CA 0.773 58.973 58.200 0.001 0.000 0.991 174 S CB 0.018 63.223 63.200 0.008 0.000 0.823 174 S HN 0.571 nan 8.310 nan 0.000 0.469 175 K N 1.075 121.470 120.400 -0.007 0.000 2.057 175 K HA -0.095 4.228 4.320 0.004 0.000 0.207 175 K C 2.356 178.951 176.600 -0.008 0.000 1.049 175 K CA 1.463 57.746 56.287 -0.006 0.000 0.931 175 K CB -0.197 32.296 32.500 -0.012 0.000 0.714 175 K HN 0.531 nan 8.250 nan 0.000 0.440 176 E N -0.048 120.139 120.200 -0.020 0.000 2.058 176 E HA -0.193 4.160 4.350 0.004 0.000 0.194 176 E C 1.961 178.553 176.600 -0.013 0.000 0.997 176 E CA 1.524 57.908 56.400 -0.026 0.000 0.801 176 E CB 0.063 29.734 29.700 -0.049 0.000 0.746 176 E HN 0.089 nan 8.360 nan 0.000 0.450 177 V N 1.396 121.309 119.914 -0.002 0.000 2.255 177 V HA -0.279 3.844 4.120 0.004 0.000 0.247 177 V C 2.419 178.539 176.094 0.044 0.000 1.051 177 V CA 1.687 64.013 62.300 0.044 0.000 1.018 177 V CB -0.553 31.331 31.823 0.103 0.000 0.641 177 V HN 0.275 nan 8.190 nan 0.000 0.445 178 L N 0.398 121.646 121.223 0.042 0.000 1.978 178 L HA -0.254 4.088 4.340 0.004 0.000 0.218 178 L C 2.463 179.346 176.870 0.020 0.000 1.075 178 L CA 2.247 57.111 54.840 0.040 0.000 0.767 178 L CB -0.715 41.366 42.059 0.036 0.000 0.890 178 L HN 0.396 nan 8.230 nan 0.000 0.434 179 E N -0.822 119.384 120.200 0.009 0.000 2.106 179 E HA -0.209 4.144 4.350 0.004 0.000 0.192 179 E C 2.152 178.751 176.600 -0.001 0.000 0.984 179 E CA 1.246 57.647 56.400 0.001 0.000 0.806 179 E CB -0.069 29.628 29.700 -0.004 0.000 0.750 179 E HN 0.532 nan 8.360 nan 0.000 0.458 180 K N 0.317 120.715 120.400 -0.002 0.000 2.167 180 K HA -0.055 4.267 4.320 0.004 0.000 0.203 180 K C 1.969 178.565 176.600 -0.006 0.000 1.052 180 K CA 1.359 57.642 56.287 -0.008 0.000 0.956 180 K CB 0.476 32.968 32.500 -0.014 0.000 0.735 180 K HN 0.116 nan 8.250 nan 0.000 0.451 181 V N -3.250 116.665 119.914 0.002 0.000 3.451 181 V HA 0.182 4.305 4.120 0.004 0.000 0.288 181 V C 1.173 177.262 176.094 -0.007 0.000 1.502 181 V CA -0.096 62.202 62.300 -0.004 0.000 1.026 181 V CB -0.049 31.774 31.823 0.001 0.000 0.840 181 V HN 0.048 nan 8.190 nan 0.000 0.437 182 L N -0.194 121.031 121.223 0.004 0.000 2.526 182 L HA 0.428 4.770 4.340 0.004 0.000 0.210 182 L C 0.947 177.828 176.870 0.018 0.000 1.048 182 L CA 0.108 54.952 54.840 0.007 0.000 0.852 182 L CB 0.184 42.257 42.059 0.024 0.000 1.128 182 L HN 0.164 nan 8.230 nan 0.000 0.482 183 L N 1.657 122.889 121.223 0.016 0.000 2.485 183 L HA 0.056 4.398 4.340 0.004 0.000 0.275 183 L C 0.772 177.651 176.870 0.016 0.000 1.207 183 L CA 0.110 54.959 54.840 0.016 0.000 0.855 183 L CB 0.305 42.368 42.059 0.007 0.000 1.114 183 L HN 0.226 nan 8.230 nan 0.000 0.485 184 R N 2.586 123.102 120.500 0.026 0.000 2.370 184 R HA 0.082 4.424 4.340 0.004 0.000 0.309 184 R C 0.634 176.952 176.300 0.030 0.000 1.059 184 R CA -0.493 55.628 56.100 0.035 0.000 0.981 184 R CB 0.661 31.004 30.300 0.071 0.000 0.972 184 R HN 0.575 nan 8.270 nan 0.000 0.437 185 R N 2.922 123.434 120.500 0.020 0.000 2.033 185 R HA 0.064 4.406 4.340 0.004 0.000 0.219 185 R C 0.274 176.595 176.300 0.035 0.000 1.223 185 R CA 0.999 57.110 56.100 0.019 0.000 0.971 185 R CB -0.566 29.738 30.300 0.006 0.000 0.855 185 R HN 0.657 nan 8.270 nan 0.000 0.452 186 E N 0.197 120.417 120.200 0.033 0.000 2.207 186 E HA 0.196 4.549 4.350 0.004 0.000 0.270 186 E C -1.261 175.389 176.600 0.083 0.000 0.927 186 E CA -0.797 55.639 56.400 0.060 0.000 0.799 186 E CB 1.181 30.902 29.700 0.034 0.000 1.172 186 E HN -0.053 nan 8.360 nan 0.000 0.404 187 F N 4.582 124.524 119.950 -0.014 0.000 2.578 187 F HA 0.208 4.738 4.527 0.005 0.000 0.381 187 F C -0.623 175.161 175.800 -0.026 0.000 1.069 187 F CA 0.178 58.167 58.000 -0.019 0.000 1.231 187 F CB 0.238 39.223 39.000 -0.025 0.000 1.086 187 F HN 0.320 nan 8.300 nan 0.000 0.564 188 I N 9.384 129.501 120.570 -0.756 0.000 2.330 188 I HA 0.267 4.439 4.170 0.004 0.000 0.286 188 I C -2.078 173.424 176.117 -1.025 0.000 1.025 188 I CA -2.160 58.743 61.300 -0.661 0.000 1.197 188 I CB 1.081 38.874 38.000 -0.345 0.000 1.358 188 I HN 0.457 nan 8.210 nan 0.000 0.467 189 P HA 0.027 nan 4.420 nan 0.000 0.272 189 P C -0.770 176.345 177.300 -0.309 0.000 1.223 189 P CA -0.246 62.550 63.100 -0.508 0.000 0.784 189 P CB 0.833 32.463 31.700 -0.118 0.000 0.923 190 D N 2.979 123.248 120.400 -0.218 0.000 2.371 190 D HA 0.078 4.721 4.640 0.004 0.000 0.256 190 D C -1.504 174.689 176.300 -0.179 0.000 1.193 190 D CA -1.851 52.018 54.000 -0.220 0.000 0.881 190 D CB 0.312 40.975 40.800 -0.227 0.000 1.143 190 D HN 0.118 nan 8.370 nan 0.000 0.473 191 P HA -0.099 nan 4.420 nan 0.000 0.222 191 P C 0.800 178.008 177.300 -0.153 0.000 1.147 191 P CA 0.949 63.961 63.100 -0.148 0.000 0.790 191 P CB 0.191 31.803 31.700 -0.146 0.000 0.780 192 Q N -1.507 118.164 119.800 -0.216 0.000 2.472 192 Q HA 0.129 4.471 4.340 0.004 0.000 0.208 192 Q C 1.218 177.139 176.000 -0.133 0.000 0.958 192 Q CA 0.680 56.339 55.803 -0.241 0.000 0.932 192 Q CB -0.330 28.152 28.738 -0.426 0.000 1.007 192 Q HN 0.246 nan 8.270 nan 0.000 0.508 193 G N 0.593 109.339 108.800 -0.090 0.000 2.176 193 G HA2 -0.264 3.698 3.960 0.004 0.000 0.253 193 G HA3 -0.264 3.698 3.960 0.004 0.000 0.253 193 G C 0.117 175.027 174.900 0.017 0.000 0.979 193 G CA 0.207 45.301 45.100 -0.009 0.000 0.641 193 G HN 0.296 nan 8.290 nan 0.000 0.530 194 S N 1.345 117.029 115.700 -0.027 0.000 2.642 194 S HA 0.305 4.777 4.470 0.004 0.000 0.308 194 S C 0.808 175.411 174.600 0.005 0.000 1.255 194 S CA 0.829 58.973 58.200 -0.094 0.000 1.057 194 S CB 0.449 63.436 63.200 -0.355 0.000 0.785 194 S HN 1.060 nan 8.310 nan 0.000 0.500 195 N N 1.896 120.647 118.700 0.085 0.000 2.741 195 N HA 0.383 5.125 4.740 0.004 0.000 0.310 195 N C 0.566 176.208 175.510 0.221 0.000 1.295 195 N CA -0.959 52.186 53.050 0.159 0.000 0.893 195 N CB 0.001 38.590 38.487 0.171 0.000 1.247 195 N HN 0.250 nan 8.380 nan 0.000 0.596 196 M N -0.669 119.023 119.600 0.153 0.000 2.394 196 M HA 0.065 4.548 4.480 0.004 0.000 0.264 196 M C 1.490 177.899 176.300 0.183 0.000 1.073 196 M CA 0.977 56.268 55.300 -0.016 0.000 1.111 196 M CB -1.201 31.255 32.600 -0.239 0.000 1.401 196 M HN 0.654 nan 8.290 nan 0.000 0.448 197 M N -0.252 119.589 119.600 0.402 0.000 2.086 197 M HA -0.168 4.315 4.480 0.004 0.000 0.261 197 M C 2.000 178.730 176.300 0.716 0.000 1.067 197 M CA 1.639 57.289 55.300 0.584 0.000 1.116 197 M CB -0.798 32.086 32.600 0.474 0.000 1.348 197 M HN 0.226 nan 8.290 nan 0.000 0.407 198 F N 0.195 120.408 119.950 0.437 0.000 2.102 198 F HA -0.085 4.444 4.527 0.003 0.000 0.298 198 F C 2.014 177.957 175.800 0.238 0.000 1.105 198 F CA 1.738 59.842 58.000 0.172 0.000 1.239 198 F CB -0.638 38.352 39.000 -0.017 0.000 0.991 198 F HN 0.153 nan 8.300 nan 0.000 0.474 199 A N 0.155 123.143 122.820 0.279 0.000 1.877 199 A HA -0.160 4.163 4.320 0.004 0.000 0.216 199 A C 2.003 179.569 177.584 -0.029 0.000 1.186 199 A CA 1.750 53.832 52.037 0.076 0.000 0.620 199 A CB -1.479 17.493 19.000 -0.048 0.000 0.822 199 A HN 0.438 nan 8.150 nan 0.000 0.443 200 F N -1.637 118.424 119.950 0.185 0.000 2.325 200 F HA 0.019 4.548 4.527 0.003 0.000 0.299 200 F C 1.892 177.751 175.800 0.099 0.000 1.090 200 F CA 0.418 58.532 58.000 0.189 0.000 1.392 200 F CB -0.795 38.377 39.000 0.288 0.000 1.053 200 F HN 0.343 nan 8.300 nan 0.000 0.521 201 F N 0.804 120.791 119.950 0.061 0.000 2.075 201 F HA -0.168 4.361 4.527 0.004 0.000 0.297 201 F C 2.417 178.029 175.800 -0.314 0.000 1.113 201 F CA 1.539 59.270 58.000 -0.449 0.000 1.218 201 F CB -0.685 38.126 39.000 -0.316 0.000 0.984 201 F HN -0.081 nan 8.300 nan 0.000 0.472 202 A N -0.212 122.554 122.820 -0.090 0.000 1.917 202 A HA -0.317 4.005 4.320 0.004 0.000 0.219 202 A C 2.241 179.706 177.584 -0.198 0.000 1.182 202 A CA 2.091 54.086 52.037 -0.071 0.000 0.633 202 A CB -1.141 17.954 19.000 0.158 0.000 0.819 202 A HN 0.635 nan 8.150 nan 0.000 0.448 203 Q N -1.590 118.112 119.800 -0.162 0.000 2.046 203 Q HA -0.224 4.118 4.340 0.004 0.000 0.200 203 Q C 2.186 177.921 176.000 -0.443 0.000 0.975 203 Q CA 1.501 57.117 55.803 -0.311 0.000 0.836 203 Q CB -0.322 28.320 28.738 -0.161 0.000 0.896 203 Q HN 0.889 nan 8.270 nan 0.000 0.428 204 H N -0.393 118.415 119.070 -0.437 0.000 2.293 204 H HA -0.170 4.389 4.556 0.005 0.000 0.300 204 H C 1.957 177.091 175.328 -0.323 0.000 1.082 204 H CA 1.830 57.603 56.048 -0.459 0.000 1.308 204 H CB -0.359 29.122 29.762 -0.469 0.000 1.375 204 H HN 0.343 nan 8.280 nan 0.000 0.495 205 F N 2.069 121.627 119.950 -0.653 0.000 2.075 205 F HA -0.202 4.328 4.527 0.004 0.000 0.297 205 F C 2.794 177.974 175.800 -1.032 0.000 1.113 205 F CA 2.568 60.063 58.000 -0.840 0.000 1.218 205 F CB -0.949 37.427 39.000 -1.041 0.000 0.984 205 F HN 0.236 nan 8.300 nan 0.000 0.472 206 T N -2.983 110.866 114.554 -1.175 0.000 3.007 206 T HA -0.174 4.179 4.350 0.004 0.000 0.270 206 T C 1.620 175.405 174.700 -1.525 0.000 1.107 206 T CA 1.501 62.534 62.100 -1.779 0.000 1.118 206 T CB -1.108 67.042 68.868 -1.196 0.000 0.889 206 T HN 0.580 nan 8.240 nan 0.000 0.506 207 H N 1.214 119.679 119.070 -1.009 0.000 2.543 207 H HA 0.102 4.661 4.556 0.005 0.000 0.269 207 H C 2.351 177.225 175.328 -0.756 0.000 1.005 207 H CA 0.568 56.235 56.048 -0.635 0.000 1.146 207 H CB 0.249 29.922 29.762 -0.148 0.000 1.353 207 H HN 0.738 nan 8.280 nan 0.000 0.595 208 Q N 0.487 119.634 119.800 -1.089 0.000 2.354 208 Q HA -0.046 4.296 4.340 0.004 0.000 0.203 208 Q C 0.937 176.516 176.000 -0.700 0.000 0.933 208 Q CA 0.801 56.050 55.803 -0.923 0.000 0.901 208 Q CB -0.067 27.958 28.738 -1.188 0.000 1.007 208 Q HN 0.523 nan 8.270 nan 0.000 0.495 209 F N -2.997 116.506 119.950 -0.744 0.000 2.728 209 F HA 0.490 5.020 4.527 0.004 0.000 0.314 209 F C -0.294 175.173 175.800 -0.555 0.000 1.094 209 F CA -1.136 56.466 58.000 -0.664 0.000 1.217 209 F CB 0.590 39.173 39.000 -0.695 0.000 1.056 209 F HN -0.220 nan 8.300 nan 0.000 0.577 210 F N 2.986 122.694 119.950 -0.404 0.000 2.300 210 F HA 0.505 5.034 4.527 0.004 0.000 0.364 210 F C -0.189 175.375 175.800 -0.394 0.000 1.090 210 F CA -1.551 56.268 58.000 -0.302 0.000 1.200 210 F CB 0.886 39.597 39.000 -0.481 0.000 1.493 210 F HN -0.101 nan 8.300 nan 0.000 0.518 211 K N 1.285 121.634 120.400 -0.085 0.000 2.753 211 K HA 0.263 4.586 4.320 0.004 0.000 0.185 211 K C -0.301 176.191 176.600 -0.180 0.000 1.071 211 K CA -0.230 55.933 56.287 -0.207 0.000 0.999 211 K CB 0.932 33.278 32.500 -0.257 0.000 1.244 211 K HN 0.288 nan 8.250 nan 0.000 0.594 212 T N 1.117 115.580 114.554 -0.152 0.000 2.853 212 T HA -0.027 4.325 4.350 0.004 0.000 0.298 212 T C -0.035 174.428 174.700 -0.396 0.000 0.978 212 T CA 0.011 61.989 62.100 -0.203 0.000 1.152 212 T CB 0.362 69.114 68.868 -0.195 0.000 0.914 212 T HN 0.263 nan 8.240 nan 0.000 0.539 213 D N 1.819 122.059 120.400 -0.266 0.000 2.435 213 D HA 0.035 4.678 4.640 0.004 0.000 0.230 213 D C 1.183 177.379 176.300 -0.174 0.000 1.215 213 D CA -0.228 53.647 54.000 -0.209 0.000 0.947 213 D CB 0.187 40.888 40.800 -0.165 0.000 1.048 213 D HN 0.520 nan 8.370 nan 0.000 0.512 214 H N 1.857 120.914 119.070 -0.022 0.000 2.457 214 H HA -0.070 4.488 4.556 0.004 0.000 0.294 214 H C 1.738 177.046 175.328 -0.033 0.000 1.064 214 H CA 0.625 56.667 56.048 -0.010 0.000 1.330 214 H CB 0.389 30.146 29.762 -0.008 0.000 1.395 214 H HN 0.225 nan 8.280 nan 0.000 0.541 215 K N 0.617 121.038 120.400 0.034 0.000 2.211 215 K HA -0.070 4.252 4.320 0.004 0.000 0.204 215 K C 2.314 178.858 176.600 -0.093 0.000 1.047 215 K CA 0.932 57.201 56.287 -0.031 0.000 0.935 215 K CB 0.081 32.543 32.500 -0.062 0.000 0.728 215 K HN 0.461 nan 8.250 nan 0.000 0.452 216 R N -1.661 118.743 120.500 -0.159 0.000 2.121 216 R HA 0.263 4.606 4.340 0.004 0.000 0.206 216 R C 0.986 177.213 176.300 -0.122 0.000 1.094 216 R CA 0.822 56.714 56.100 -0.346 0.000 1.055 216 R CB 0.882 30.690 30.300 -0.819 0.000 0.964 216 R HN 0.407 nan 8.270 nan 0.000 0.473 217 G N -0.373 108.487 108.800 0.099 0.000 2.350 217 G HA2 -0.035 3.928 3.960 0.004 0.000 0.304 217 G HA3 -0.035 3.928 3.960 0.004 0.000 0.304 217 G C -2.643 172.420 174.900 0.272 0.000 1.421 217 G CA -0.922 44.341 45.100 0.271 0.000 0.934 217 G HN -0.205 nan 8.290 nan 0.000 0.632 218 P HA 0.055 nan 4.420 nan 0.000 0.226 218 P C 1.516 178.904 177.300 0.147 0.000 1.153 218 P CA 1.503 64.677 63.100 0.123 0.000 0.777 218 P CB 0.149 31.885 31.700 0.061 0.000 0.794 219 G N -1.728 107.122 108.800 0.083 0.000 3.181 219 G HA2 0.164 4.126 3.960 0.004 0.000 0.219 219 G HA3 0.164 4.126 3.960 0.004 0.000 0.219 219 G C -0.154 174.578 174.900 -0.281 0.000 1.182 219 G CA -0.081 44.994 45.100 -0.042 0.000 0.791 219 G HN 0.131 nan 8.290 nan 0.000 0.537 220 F N -0.734 119.201 119.950 -0.025 0.000 2.546 220 F HA 0.644 5.173 4.527 0.004 0.000 0.320 220 F C 0.276 175.767 175.800 -0.515 0.000 1.076 220 F CA -0.813 57.013 58.000 -0.290 0.000 0.928 220 F CB 2.594 41.422 39.000 -0.287 0.000 1.189 220 F HN -0.165 nan 8.300 nan 0.000 0.465 221 T N 0.909 115.167 114.554 -0.493 0.000 2.907 221 T HA 0.420 4.772 4.350 0.004 0.000 0.292 221 T C 0.561 175.051 174.700 -0.350 0.000 1.043 221 T CA -0.534 61.184 62.100 -0.636 0.000 1.003 221 T CB 1.354 69.550 68.868 -1.120 0.000 1.084 221 T HN 0.723 nan 8.240 nan 0.000 0.483 222 R N 1.574 121.894 120.500 -0.300 0.000 2.312 222 R HA 0.242 4.584 4.340 0.004 0.000 0.205 222 R C 1.179 177.336 176.300 -0.237 0.000 0.904 222 R CA 0.004 55.967 56.100 -0.229 0.000 1.052 222 R CB 0.467 30.650 30.300 -0.195 0.000 1.014 222 R HN 0.617 nan 8.270 nan 0.000 0.503 223 G N 0.927 109.542 108.800 -0.308 0.000 2.977 223 G HA2 0.207 4.169 3.960 0.004 0.000 0.306 223 G HA3 0.207 4.169 3.960 0.004 0.000 0.306 223 G C 0.597 175.273 174.900 -0.372 0.000 0.885 223 G CA -0.404 44.512 45.100 -0.307 0.000 1.649 223 G HN 0.137 nan 8.290 nan 0.000 0.514 224 L N 1.854 122.946 121.223 -0.218 0.000 2.552 224 L HA 0.077 4.420 4.340 0.004 0.000 0.227 224 L C 2.669 179.543 176.870 0.007 0.000 1.146 224 L CA 0.638 55.420 54.840 -0.098 0.000 0.858 224 L CB 0.125 42.155 42.059 -0.047 0.000 0.969 224 L HN 0.525 nan 8.230 nan 0.000 0.451 225 G N -1.871 106.893 108.800 -0.061 0.000 2.448 225 G HA2 -0.184 3.779 3.960 0.004 0.000 0.218 225 G HA3 -0.184 3.779 3.960 0.004 0.000 0.218 225 G C 0.633 175.564 174.900 0.052 0.000 1.135 225 G CA 0.021 45.116 45.100 -0.007 0.000 0.784 225 G HN 0.585 nan 8.290 nan 0.000 0.543 226 H N -0.294 118.733 119.070 -0.072 0.000 2.756 226 H HA -0.154 4.404 4.556 0.004 0.000 0.315 226 H C 1.116 176.378 175.328 -0.110 0.000 1.210 226 H CA 1.056 57.060 56.048 -0.074 0.000 1.150 226 H CB -1.410 28.306 29.762 -0.077 0.000 1.463 226 H HN 0.869 nan 8.280 nan 0.000 0.427 227 G N -1.663 107.100 108.800 -0.061 0.000 2.404 227 G HA2 0.201 4.163 3.960 0.004 0.000 0.253 227 G HA3 0.201 4.163 3.960 0.004 0.000 0.253 227 G C -0.873 174.014 174.900 -0.022 0.000 1.253 227 G CA -0.289 44.733 45.100 -0.130 0.000 0.917 227 G HN 0.198 nan 8.290 nan 0.000 0.480 228 V N 2.374 122.288 119.914 -0.001 0.000 2.276 228 V HA 0.314 4.436 4.120 0.004 0.000 0.249 228 V C 0.374 176.497 176.094 0.048 0.000 1.160 228 V CA 0.834 63.160 62.300 0.045 0.000 1.042 228 V CB 0.303 32.209 31.823 0.138 0.000 1.224 228 V HN 0.776 nan 8.190 nan 0.000 0.496 229 D N 2.944 123.356 120.400 0.020 0.000 2.433 229 D HA 0.098 4.741 4.640 0.004 0.000 0.211 229 D C 0.758 177.129 176.300 0.117 0.000 1.114 229 D CA -0.509 53.524 54.000 0.056 0.000 0.837 229 D CB 0.295 41.112 40.800 0.028 0.000 0.984 229 D HN 0.208 nan 8.370 nan 0.000 0.505 230 L N 0.839 122.121 121.223 0.099 0.000 3.898 230 L HA -0.278 4.064 4.340 0.004 0.000 0.407 230 L C 0.839 177.856 176.870 0.246 0.000 1.207 230 L CA 0.788 55.760 54.840 0.220 0.000 0.931 230 L CB -2.768 39.425 42.059 0.224 0.000 2.014 230 L HN 0.383 nan 8.230 nan 0.000 0.858 231 N N -1.069 117.709 118.700 0.131 0.000 2.381 231 N HA -0.173 4.570 4.740 0.004 0.000 0.182 231 N C 1.665 177.170 175.510 -0.008 0.000 1.025 231 N CA 1.616 54.701 53.050 0.058 0.000 0.888 231 N CB -0.334 38.130 38.487 -0.039 0.000 0.965 231 N HN 0.722 nan 8.380 nan 0.000 0.438 232 H N -0.572 118.322 119.070 -0.294 0.000 2.559 232 H HA 0.122 4.681 4.556 0.004 0.000 0.273 232 H C 1.304 176.470 175.328 -0.270 0.000 1.000 232 H CA 0.645 56.447 56.048 -0.411 0.000 1.195 232 H CB -0.313 29.145 29.762 -0.507 0.000 1.368 232 H HN 0.434 nan 8.280 nan 0.000 0.592 233 I N -1.114 119.184 120.570 -0.453 0.000 3.300 233 I HA -0.036 4.137 4.170 0.004 0.000 0.279 233 I C 1.208 177.066 176.117 -0.431 0.000 1.172 233 I CA 0.128 61.101 61.300 -0.545 0.000 1.431 233 I CB 0.082 37.554 38.000 -0.880 0.000 1.240 233 I HN -0.034 nan 8.210 nan 0.000 0.453 234 Y N 1.447 121.727 120.300 -0.032 0.000 2.478 234 Y HA 0.466 5.019 4.550 0.005 0.000 0.261 234 Y C 1.174 177.091 175.900 0.027 0.000 1.127 234 Y CA 0.026 58.151 58.100 0.041 0.000 1.288 234 Y CB 0.050 38.577 38.460 0.112 0.000 1.084 234 Y HN 0.130 nan 8.280 nan 0.000 0.530 235 G N 0.800 109.652 108.800 0.087 0.000 2.788 235 G HA2 -0.214 3.748 3.960 0.004 0.000 0.686 235 G HA3 -0.214 3.748 3.960 0.004 0.000 0.686 235 G C 0.129 175.042 174.900 0.023 0.000 1.147 235 G CA -0.107 45.010 45.100 0.028 0.000 0.755 235 G HN 0.157 nan 8.290 nan 0.000 0.634 236 E N -0.081 120.098 120.200 -0.035 0.000 2.072 236 E HA 0.049 4.402 4.350 0.004 0.000 0.191 236 E C 1.940 178.521 176.600 -0.032 0.000 0.985 236 E CA 2.289 58.660 56.400 -0.049 0.000 0.801 236 E CB -0.032 29.614 29.700 -0.090 0.000 0.750 236 E HN 1.184 nan 8.360 nan 0.000 0.452 237 T N -1.825 112.708 114.554 -0.036 0.000 2.943 237 T HA 0.254 4.606 4.350 0.004 0.000 0.284 237 T C 1.072 175.744 174.700 -0.047 0.000 1.015 237 T CA -0.488 61.586 62.100 -0.043 0.000 1.042 237 T CB 1.305 70.142 68.868 -0.052 0.000 1.055 237 T HN 0.087 nan 8.240 nan 0.000 0.500 238 L N 0.911 122.082 121.223 -0.086 0.000 2.079 238 L HA -0.056 4.286 4.340 0.004 0.000 0.210 238 L C 2.303 179.026 176.870 -0.245 0.000 1.081 238 L CA 1.965 56.694 54.840 -0.186 0.000 0.752 238 L CB -0.849 41.067 42.059 -0.238 0.000 0.896 238 L HN 0.959 nan 8.230 nan 0.000 0.433 239 D N -0.700 119.611 120.400 -0.149 0.000 2.123 239 D HA -0.279 4.364 4.640 0.004 0.000 0.196 239 D C 2.265 178.557 176.300 -0.015 0.000 0.992 239 D CA 1.316 55.265 54.000 -0.085 0.000 0.833 239 D CB 0.107 40.876 40.800 -0.053 0.000 0.954 239 D HN 0.388 nan 8.370 nan 0.000 0.455 240 R N 0.356 120.848 120.500 -0.013 0.000 2.073 240 R HA -0.089 4.254 4.340 0.004 0.000 0.229 240 R C 2.547 178.878 176.300 0.051 0.000 1.120 240 R CA 0.996 57.105 56.100 0.016 0.000 0.967 240 R CB -0.188 30.110 30.300 -0.003 0.000 0.862 240 R HN 0.187 nan 8.270 nan 0.000 0.436 241 Q N -0.144 119.689 119.800 0.055 0.000 2.077 241 Q HA -0.243 4.099 4.340 0.004 0.000 0.206 241 Q C 1.597 177.669 176.000 0.120 0.000 0.989 241 Q CA 1.919 57.782 55.803 0.101 0.000 0.853 241 Q CB -0.150 28.661 28.738 0.121 0.000 0.907 241 Q HN 0.658 nan 8.270 nan 0.000 0.418 242 H N -0.687 118.388 119.070 0.009 0.000 2.457 242 H HA -0.031 4.527 4.556 0.004 0.000 0.294 242 H C 1.868 177.298 175.328 0.170 0.000 1.064 242 H CA 0.812 56.941 56.048 0.135 0.000 1.330 242 H CB 0.355 30.267 29.762 0.250 0.000 1.395 242 H HN 0.216 nan 8.280 nan 0.000 0.541 243 K N 0.546 121.070 120.400 0.206 0.000 2.217 243 K HA -0.026 4.297 4.320 0.004 0.000 0.202 243 K C 1.710 178.360 176.600 0.085 0.000 1.051 243 K CA 0.528 56.896 56.287 0.135 0.000 0.952 243 K CB 0.265 32.819 32.500 0.090 0.000 0.736 243 K HN 0.232 nan 8.250 nan 0.000 0.453 244 L N 0.295 121.549 121.223 0.051 0.000 2.509 244 L HA 0.046 4.389 4.340 0.004 0.000 0.222 244 L C 0.761 177.603 176.870 -0.046 0.000 1.123 244 L CA 0.106 54.959 54.840 0.022 0.000 0.856 244 L CB 0.077 42.159 42.059 0.038 0.000 0.985 244 L HN 0.017 nan 8.230 nan 0.000 0.456 245 R N -0.342 120.050 120.500 -0.181 0.000 2.500 245 R HA 0.154 4.496 4.340 0.004 0.000 0.277 245 R C 0.716 176.834 176.300 -0.304 0.000 1.026 245 R CA -0.504 55.328 56.100 -0.448 0.000 1.058 245 R CB 1.455 31.055 30.300 -1.166 0.000 1.078 245 R HN -0.105 nan 8.270 nan 0.000 0.509 246 L N 2.264 123.357 121.223 -0.218 0.000 2.209 246 L HA 0.136 4.479 4.340 0.004 0.000 0.207 246 L C 0.164 177.080 176.870 0.077 0.000 1.094 246 L CA 1.262 56.091 54.840 -0.018 0.000 0.790 246 L CB -0.181 41.919 42.059 0.068 0.000 0.932 246 L HN 0.812 nan 8.230 nan 0.000 0.447 247 F N -0.726 119.201 119.950 -0.038 0.000 2.953 247 F HA -0.276 4.254 4.527 0.004 0.000 0.292 247 F C 0.750 176.549 175.800 -0.001 0.000 0.747 247 F CA 1.221 59.186 58.000 -0.059 0.000 1.222 247 F CB -1.756 37.181 39.000 -0.105 0.000 1.457 247 F HN 0.188 nan 8.300 nan 0.000 0.383 248 K N 0.696 121.177 120.400 0.136 0.000 2.378 248 K HA 0.354 4.676 4.320 0.004 0.000 0.252 248 K C 0.321 176.998 176.600 0.128 0.000 0.931 248 K CA -0.329 56.033 56.287 0.126 0.000 0.794 248 K CB 1.216 33.784 32.500 0.114 0.000 1.181 248 K HN 0.048 nan 8.250 nan 0.000 0.425 249 D N 2.720 123.199 120.400 0.132 0.000 3.018 249 D HA -0.226 4.416 4.640 0.004 0.000 0.224 249 D C 0.657 177.059 176.300 0.171 0.000 1.185 249 D CA 1.771 55.856 54.000 0.143 0.000 0.858 249 D CB -1.063 39.812 40.800 0.125 0.000 1.112 249 D HN 1.092 nan 8.370 nan 0.000 0.415 250 G N -0.460 108.449 108.800 0.182 0.000 2.179 250 G HA2 -0.373 3.590 3.960 0.004 0.000 0.260 250 G HA3 -0.373 3.590 3.960 0.004 0.000 0.260 250 G C 0.365 175.513 174.900 0.414 0.000 0.977 250 G CA 0.868 46.131 45.100 0.272 0.000 0.641 250 G HN 0.491 nan 8.290 nan 0.000 0.533 251 K N -0.387 120.187 120.400 0.291 0.000 2.107 251 K HA 0.667 4.990 4.320 0.004 0.000 0.251 251 K C 0.716 177.479 176.600 0.272 0.000 1.012 251 K CA -0.610 55.898 56.287 0.368 0.000 0.920 251 K CB 0.891 33.552 32.500 0.269 0.000 1.033 251 K HN 0.181 nan 8.250 nan 0.000 0.478 252 L N 1.638 123.035 121.223 0.290 0.000 2.379 252 L HA 0.275 4.618 4.340 0.004 0.000 0.269 252 L C 0.465 177.460 176.870 0.208 0.000 1.084 252 L CA -0.577 54.351 54.840 0.147 0.000 0.802 252 L CB 0.738 42.855 42.059 0.097 0.000 1.175 252 L HN 0.427 nan 8.230 nan 0.000 0.448 253 K N 1.176 121.648 120.400 0.120 0.000 2.380 253 K HA 0.241 4.564 4.320 0.004 0.000 0.267 253 K C -1.178 175.544 176.600 0.204 0.000 0.990 253 K CA 0.381 56.731 56.287 0.105 0.000 0.946 253 K CB 0.545 33.063 32.500 0.030 0.000 0.937 253 K HN 0.485 nan 8.250 nan 0.000 0.491 254 Y N -2.182 118.132 120.300 0.022 0.000 2.677 254 Y HA 0.245 4.797 4.550 0.004 0.000 0.334 254 Y C -1.564 174.348 175.900 0.020 0.000 1.196 254 Y CA -1.385 56.720 58.100 0.008 0.000 1.059 254 Y CB 0.899 39.356 38.460 -0.005 0.000 1.315 254 Y HN 0.580 nan 8.280 nan 0.000 0.455 255 Q N 0.819 120.701 119.800 0.136 0.000 2.399 255 Q HA 0.836 5.178 4.340 0.004 0.000 0.276 255 Q C -1.898 174.235 176.000 0.222 0.000 1.098 255 Q CA -1.371 54.485 55.803 0.088 0.000 0.827 255 Q CB 3.076 31.865 28.738 0.086 0.000 1.386 255 Q HN 0.596 nan 8.270 nan 0.000 0.443 256 V N 2.924 122.938 119.914 0.167 0.000 2.313 256 V HA 0.409 4.531 4.120 0.004 0.000 0.278 256 V C -0.577 175.606 176.094 0.148 0.000 1.017 256 V CA -0.470 61.933 62.300 0.173 0.000 0.823 256 V CB 0.664 32.579 31.823 0.154 0.000 1.010 256 V HN 0.664 nan 8.190 nan 0.000 0.443 257 I N 3.822 124.519 120.570 0.211 0.000 2.355 257 I HA 0.584 4.757 4.170 0.004 0.000 0.288 257 I C 1.163 177.377 176.117 0.163 0.000 0.999 257 I CA -0.392 61.013 61.300 0.175 0.000 1.163 257 I CB 1.545 39.645 38.000 0.166 0.000 1.316 257 I HN 0.790 nan 8.210 nan 0.000 0.454 258 G N 4.381 113.239 108.800 0.096 0.000 2.305 258 G HA2 -0.131 3.831 3.960 0.004 0.000 0.287 258 G HA3 -0.131 3.831 3.960 0.004 0.000 0.287 258 G C 0.992 175.929 174.900 0.063 0.000 1.036 258 G CA 0.556 45.699 45.100 0.072 0.000 0.887 258 G HN 1.510 nan 8.290 nan 0.000 0.505 259 G N -1.811 107.023 108.800 0.057 0.000 2.179 259 G HA2 -0.236 3.726 3.960 0.004 0.000 0.260 259 G HA3 -0.236 3.726 3.960 0.004 0.000 0.260 259 G C 0.048 174.952 174.900 0.006 0.000 0.977 259 G CA 0.854 45.973 45.100 0.032 0.000 0.641 259 G HN 0.978 nan 8.290 nan 0.000 0.533 260 E N 0.206 120.417 120.200 0.019 0.000 2.158 260 E HA 0.502 4.855 4.350 0.004 0.000 0.271 260 E C 0.141 176.624 176.600 -0.194 0.000 0.911 260 E CA -0.705 55.630 56.400 -0.110 0.000 0.767 260 E CB 2.242 31.887 29.700 -0.091 0.000 1.120 260 E HN 0.108 nan 8.360 nan 0.000 0.405 261 V N 4.503 124.227 119.914 -0.317 0.000 2.470 261 V HA 0.093 4.215 4.120 0.004 0.000 0.276 261 V C -0.588 175.194 176.094 -0.520 0.000 1.040 261 V CA 0.313 62.455 62.300 -0.263 0.000 1.008 261 V CB -0.505 31.144 31.823 -0.291 0.000 0.990 261 V HN 0.501 nan 8.190 nan 0.000 0.477 262 Y N 4.794 125.036 120.300 -0.096 0.000 2.605 262 Y HA 0.512 5.063 4.550 0.002 0.000 0.343 262 Y C -2.249 173.497 175.900 -0.256 0.000 1.036 262 Y CA -2.772 55.152 58.100 -0.293 0.000 1.065 262 Y CB 1.899 40.076 38.460 -0.472 0.000 1.288 262 Y HN 0.415 nan 8.280 nan 0.000 0.481 263 P HA 0.024 nan 4.420 nan 0.000 0.268 263 P C -2.523 174.754 177.300 -0.037 0.000 1.208 263 P CA -0.661 62.369 63.100 -0.117 0.000 0.777 263 P CB -0.016 31.601 31.700 -0.138 0.000 0.875 264 P HA 0.067 nan 4.420 nan 0.000 0.277 264 P C -0.302 177.104 177.300 0.177 0.000 1.271 264 P CA -0.072 63.089 63.100 0.101 0.000 0.795 264 P CB 0.126 31.864 31.700 0.063 0.000 1.101 265 T N -3.007 111.634 114.554 0.146 0.000 2.816 265 T HA 0.159 4.511 4.350 0.004 0.000 0.282 265 T C 1.476 176.234 174.700 0.096 0.000 0.993 265 T CA -0.595 61.586 62.100 0.135 0.000 0.994 265 T CB -0.096 68.808 68.868 0.059 0.000 1.025 265 T HN 0.075 nan 8.240 nan 0.000 0.529 266 V N 1.383 121.343 119.914 0.076 0.000 2.332 266 V HA -0.135 3.987 4.120 0.004 0.000 0.248 266 V C 2.942 179.058 176.094 0.036 0.000 1.055 266 V CA 1.661 64.002 62.300 0.068 0.000 1.038 266 V CB -0.763 31.100 31.823 0.067 0.000 0.651 266 V HN 0.851 nan 8.190 nan 0.000 0.450 267 K N 0.752 121.160 120.400 0.013 0.000 2.032 267 K HA -0.221 4.101 4.320 0.004 0.000 0.209 267 K C 1.832 178.439 176.600 0.012 0.000 1.048 267 K CA 2.159 58.449 56.287 0.004 0.000 0.927 267 K CB -0.559 31.933 32.500 -0.012 0.000 0.712 267 K HN 0.819 nan 8.250 nan 0.000 0.441 268 D N -1.333 119.079 120.400 0.019 0.000 2.277 268 D HA -0.093 4.550 4.640 0.004 0.000 0.208 268 D C 1.526 177.842 176.300 0.026 0.000 0.962 268 D CA 1.349 55.360 54.000 0.017 0.000 0.865 268 D CB -0.317 40.489 40.800 0.011 0.000 0.939 268 D HN 0.235 nan 8.370 nan 0.000 0.510 269 T N -3.974 110.603 114.554 0.038 0.000 3.037 269 T HA 0.062 4.415 4.350 0.004 0.000 0.252 269 T C 0.970 175.697 174.700 0.044 0.000 1.073 269 T CA 0.105 62.233 62.100 0.047 0.000 1.091 269 T CB -0.355 68.548 68.868 0.058 0.000 0.935 269 T HN 0.146 nan 8.240 nan 0.000 0.488 270 Q N 0.148 119.970 119.800 0.036 0.000 2.494 270 Q HA -0.118 4.225 4.340 0.004 0.000 0.266 270 Q C -0.880 175.140 176.000 0.034 0.000 1.053 270 Q CA 0.089 55.910 55.803 0.030 0.000 1.029 270 Q CB -2.033 26.720 28.738 0.024 0.000 1.423 270 Q HN 0.498 nan 8.270 nan 0.000 0.516 271 V N 1.354 121.295 119.914 0.044 0.000 2.432 271 V HA 0.088 4.210 4.120 0.004 0.000 0.275 271 V C 0.553 176.675 176.094 0.046 0.000 1.043 271 V CA -0.109 62.217 62.300 0.043 0.000 0.925 271 V CB 1.653 33.507 31.823 0.052 0.000 0.985 271 V HN 0.120 nan 8.190 nan 0.000 0.466 272 E N 5.794 126.011 120.200 0.027 0.000 2.366 272 E HA 0.322 4.675 4.350 0.004 0.000 0.266 272 E C -0.066 176.548 176.600 0.024 0.000 1.015 272 E CA -0.249 56.166 56.400 0.025 0.000 0.906 272 E CB 0.925 30.627 29.700 0.003 0.000 0.979 272 E HN 0.512 nan 8.360 nan 0.000 0.443 273 M N 1.545 121.175 119.600 0.051 0.000 2.644 273 M HA 0.474 4.956 4.480 0.004 0.000 0.304 273 M C -0.477 175.795 176.300 -0.047 0.000 1.215 273 M CA -1.072 54.231 55.300 0.005 0.000 0.871 273 M CB 1.849 34.511 32.600 0.103 0.000 1.740 273 M HN 0.400 nan 8.290 nan 0.000 0.464 274 I N 2.504 122.973 120.570 -0.168 0.000 2.322 274 I HA 0.245 4.418 4.170 0.004 0.000 0.292 274 I C -1.091 174.833 176.117 -0.322 0.000 1.060 274 I CA 0.045 61.263 61.300 -0.137 0.000 1.309 274 I CB -1.070 36.906 38.000 -0.040 0.000 1.415 274 I HN 0.538 nan 8.210 nan 0.000 0.492 275 Y N 6.363 126.622 120.300 -0.069 0.000 2.470 275 Y HA 0.385 4.937 4.550 0.004 0.000 0.341 275 Y C -1.982 173.715 175.900 -0.338 0.000 1.021 275 Y CA -1.951 56.010 58.100 -0.232 0.000 1.025 275 Y CB 2.213 40.570 38.460 -0.172 0.000 1.266 275 Y HN 0.452 nan 8.280 nan 0.000 0.448 276 P HA 0.113 nan 4.420 nan 0.000 0.271 276 P C -2.269 174.893 177.300 -0.230 0.000 1.218 276 P CA -1.347 61.584 63.100 -0.281 0.000 0.780 276 P CB 0.935 32.443 31.700 -0.319 0.000 0.901 277 P HA -0.158 nan 4.420 nan 0.000 0.226 277 P C 1.258 178.509 177.300 -0.082 0.000 1.153 277 P CA 1.369 64.427 63.100 -0.071 0.000 0.777 277 P CB -0.380 31.312 31.700 -0.014 0.000 0.794 278 H N -0.966 118.056 119.070 -0.079 0.000 2.547 278 H HA 0.147 4.705 4.556 0.004 0.000 0.272 278 H C 0.668 175.941 175.328 -0.091 0.000 0.989 278 H CA -0.185 55.820 56.048 -0.071 0.000 1.214 278 H CB -0.725 29.006 29.762 -0.052 0.000 1.389 278 H HN 0.137 nan 8.280 nan 0.000 0.577 279 I N 4.817 125.084 120.570 -0.505 0.000 2.416 279 I HA 0.102 4.275 4.170 0.004 0.000 0.288 279 I C -1.851 174.080 176.117 -0.310 0.000 1.051 279 I CA -1.995 59.047 61.300 -0.428 0.000 1.375 279 I CB 1.156 38.845 38.000 -0.519 0.000 1.407 279 I HN 0.021 nan 8.210 nan 0.000 0.516 280 P HA -0.056 nan 4.420 nan 0.000 0.266 280 P C 0.536 177.680 177.300 -0.261 0.000 1.195 280 P CA 0.038 63.014 63.100 -0.206 0.000 0.768 280 P CB 0.667 32.267 31.700 -0.167 0.000 0.838 281 E N 2.727 122.810 120.200 -0.196 0.000 2.169 281 E HA -0.314 4.039 4.350 0.004 0.000 0.202 281 E C 0.992 177.471 176.600 -0.202 0.000 1.016 281 E CA 1.963 58.253 56.400 -0.183 0.000 0.817 281 E CB -0.125 29.509 29.700 -0.110 0.000 0.736 281 E HN 0.436 nan 8.360 nan 0.000 0.462 282 N N 0.115 118.702 118.700 -0.189 0.000 2.149 282 N HA -0.150 4.593 4.740 0.004 0.000 0.188 282 N C 1.429 176.753 175.510 -0.311 0.000 1.019 282 N CA 1.163 54.111 53.050 -0.169 0.000 0.857 282 N CB -0.111 38.292 38.487 -0.139 0.000 0.997 282 N HN 0.216 nan 8.380 nan 0.000 0.426 283 L N 0.051 120.969 121.223 -0.508 0.000 2.667 283 L HA 0.183 4.525 4.340 0.004 0.000 0.232 283 L C 0.052 176.267 176.870 -1.092 0.000 1.138 283 L CA 0.033 54.325 54.840 -0.913 0.000 0.921 283 L CB 0.069 41.736 42.059 -0.653 0.000 1.180 283 L HN 0.075 nan 8.230 nan 0.000 0.487 284 Q N 0.952 120.269 119.800 -0.804 0.000 2.844 284 Q HA 0.181 4.523 4.340 0.004 0.000 0.235 284 Q C -0.875 174.991 176.000 -0.224 0.000 1.336 284 Q CA -0.386 54.895 55.803 -0.871 0.000 1.026 284 Q CB 0.149 28.506 28.738 -0.636 0.000 1.513 284 Q HN 0.086 nan 8.270 nan 0.000 0.577 285 F N 1.087 121.038 119.950 0.002 0.000 2.484 285 F HA 0.258 4.787 4.527 0.003 0.000 0.360 285 F C 0.747 176.671 175.800 0.206 0.000 1.101 285 F CA -1.321 56.746 58.000 0.113 0.000 1.251 285 F CB 0.564 39.635 39.000 0.118 0.000 1.132 285 F HN 0.266 nan 8.300 nan 0.000 0.570 286 A N 4.107 127.129 122.820 0.336 0.000 2.258 286 A HA 0.737 5.060 4.320 0.004 0.000 0.316 286 A C -0.501 177.177 177.584 0.157 0.000 1.279 286 A CA -0.446 51.720 52.037 0.216 0.000 0.876 286 A CB 0.455 19.545 19.000 0.149 0.000 1.170 286 A HN 0.760 nan 8.150 nan 0.000 0.520 287 V N 0.177 120.167 119.914 0.127 0.000 3.156 287 V HA 0.884 5.007 4.120 0.004 0.000 0.311 287 V C 1.197 177.284 176.094 -0.011 0.000 1.208 287 V CA -0.017 62.328 62.300 0.074 0.000 1.063 287 V CB 0.933 32.845 31.823 0.147 0.000 1.098 287 V HN 1.006 nan 8.190 nan 0.000 0.452 288 G N 0.162 108.919 108.800 -0.071 0.000 2.476 288 G HA2 -0.203 3.760 3.960 0.004 0.000 0.218 288 G HA3 -0.203 3.760 3.960 0.004 0.000 0.218 288 G C 0.754 175.525 174.900 -0.214 0.000 1.164 288 G CA 1.598 46.621 45.100 -0.127 0.000 0.768 288 G HN 1.080 nan 8.290 nan 0.000 0.560 289 Q N 0.321 119.878 119.800 -0.405 0.000 2.278 289 Q HA 0.417 4.759 4.340 0.004 0.000 0.257 289 Q C 0.851 176.597 176.000 -0.423 0.000 0.928 289 Q CA -0.111 55.316 55.803 -0.626 0.000 0.932 289 Q CB 1.620 29.487 28.738 -1.452 0.000 1.221 289 Q HN 0.279 nan 8.270 nan 0.000 0.434 290 E N 2.335 122.371 120.200 -0.274 0.000 2.265 290 E HA -0.113 4.240 4.350 0.004 0.000 0.196 290 E C 0.870 177.388 176.600 -0.136 0.000 0.996 290 E CA 1.363 57.669 56.400 -0.157 0.000 0.832 290 E CB 0.087 29.717 29.700 -0.117 0.000 0.756 290 E HN 0.522 nan 8.360 nan 0.000 0.491 291 V N 0.174 120.009 119.914 -0.132 0.000 3.647 291 V HA 0.010 4.132 4.120 0.004 0.000 0.279 291 V C 0.868 177.064 176.094 0.169 0.000 1.314 291 V CA 0.310 62.616 62.300 0.010 0.000 1.125 291 V CB -0.321 31.547 31.823 0.076 0.000 0.907 291 V HN 0.185 nan 8.190 nan 0.000 0.434 292 F N 2.006 121.927 119.950 -0.048 0.000 2.604 292 F HA 0.158 4.688 4.527 0.005 0.000 0.298 292 F C 2.211 177.996 175.800 -0.026 0.000 1.131 292 F CA 0.610 58.603 58.000 -0.011 0.000 1.457 292 F CB -1.130 37.895 39.000 0.042 0.000 1.095 292 F HN 0.288 nan 8.300 nan 0.000 0.574 293 G N -0.463 108.375 108.800 0.063 0.000 2.650 293 G HA2 -0.130 3.833 3.960 0.004 0.000 0.214 293 G HA3 -0.130 3.833 3.960 0.004 0.000 0.214 293 G C 1.739 176.617 174.900 -0.037 0.000 1.136 293 G CA 0.248 45.348 45.100 0.000 0.000 0.789 293 G HN 0.343 nan 8.290 nan 0.000 0.536 294 L N 0.676 121.796 121.223 -0.173 0.000 2.083 294 L HA 0.129 4.472 4.340 0.004 0.000 0.209 294 L C 0.519 177.128 176.870 -0.435 0.000 1.083 294 L CA 1.333 55.837 54.840 -0.561 0.000 0.752 294 L CB 0.093 41.934 42.059 -0.363 0.000 0.899 294 L HN -0.012 nan 8.230 nan 0.000 0.433 295 V N -1.122 118.650 119.914 -0.236 0.000 2.577 295 V HA 0.347 4.469 4.120 0.004 0.000 0.303 295 V C -1.728 174.163 176.094 -0.339 0.000 1.042 295 V CA -1.179 60.953 62.300 -0.280 0.000 0.872 295 V CB 1.199 32.956 31.823 -0.110 0.000 0.998 295 V HN -0.098 nan 8.190 nan 0.000 0.423 296 P HA -0.099 nan 4.420 nan 0.000 0.218 296 P C 1.667 178.826 177.300 -0.235 0.000 1.148 296 P CA 1.679 64.547 63.100 -0.386 0.000 0.822 296 P CB 0.259 31.640 31.700 -0.531 0.000 0.784 297 G N -0.246 108.272 108.800 -0.470 0.000 2.442 297 G HA2 -0.221 3.742 3.960 0.004 0.000 0.219 297 G HA3 -0.221 3.742 3.960 0.004 0.000 0.219 297 G C 1.461 176.076 174.900 -0.476 0.000 1.141 297 G CA 0.528 45.056 45.100 -0.954 0.000 0.763 297 G HN 0.242 nan 8.290 nan 0.000 0.554 298 L N -0.776 120.234 121.223 -0.356 0.000 2.109 298 L HA 0.061 4.403 4.340 0.004 0.000 0.207 298 L C 2.755 179.538 176.870 -0.144 0.000 1.086 298 L CA 0.804 55.493 54.840 -0.252 0.000 0.760 298 L CB -0.293 41.501 42.059 -0.442 0.000 0.910 298 L HN 0.214 nan 8.230 nan 0.000 0.437 299 M N -0.410 119.136 119.600 -0.091 0.000 2.296 299 M HA -0.188 4.294 4.480 0.004 0.000 0.265 299 M C 2.116 178.391 176.300 -0.041 0.000 1.064 299 M CA 1.557 56.869 55.300 0.020 0.000 1.109 299 M CB -0.344 32.305 32.600 0.082 0.000 1.396 299 M HN 0.187 nan 8.290 nan 0.000 0.430 300 M N -1.383 118.140 119.600 -0.129 0.000 2.067 300 M HA -0.267 4.215 4.480 0.004 0.000 0.260 300 M C 1.675 177.848 176.300 -0.212 0.000 1.069 300 M CA 1.970 57.156 55.300 -0.190 0.000 1.117 300 M CB -0.392 32.116 32.600 -0.154 0.000 1.334 300 M HN 0.296 nan 8.290 nan 0.000 0.407 301 Y N 0.049 120.250 120.300 -0.165 0.000 2.352 301 Y HA -0.090 4.463 4.550 0.006 0.000 0.292 301 Y C 2.555 178.342 175.900 -0.188 0.000 1.136 301 Y CA 1.041 58.969 58.100 -0.286 0.000 1.227 301 Y CB -0.475 37.610 38.460 -0.625 0.000 0.991 301 Y HN 0.425 nan 8.280 nan 0.000 0.545 302 A N -0.400 122.459 122.820 0.065 0.000 1.902 302 A HA -0.185 4.138 4.320 0.004 0.000 0.217 302 A C 2.228 179.878 177.584 0.110 0.000 1.181 302 A CA 2.250 54.423 52.037 0.226 0.000 0.623 302 A CB -1.085 18.080 19.000 0.276 0.000 0.818 302 A HN 0.375 nan 8.150 nan 0.000 0.443 303 T N 0.142 114.700 114.554 0.006 0.000 2.812 303 T HA -0.028 4.324 4.350 0.004 0.000 0.264 303 T C 1.816 176.458 174.700 -0.098 0.000 1.042 303 T CA 1.344 63.399 62.100 -0.075 0.000 1.140 303 T CB -0.364 68.424 68.868 -0.133 0.000 0.870 303 T HN 0.397 nan 8.240 nan 0.000 0.445 304 I N -0.515 119.980 120.570 -0.126 0.000 2.163 304 I HA -0.198 3.975 4.170 0.004 0.000 0.243 304 I C 2.203 178.223 176.117 -0.161 0.000 1.085 304 I CA 1.564 62.741 61.300 -0.205 0.000 1.347 304 I CB -0.270 37.545 38.000 -0.307 0.000 1.044 304 I HN 0.338 nan 8.210 nan 0.000 0.408 305 W N 0.365 121.656 121.300 -0.015 0.000 2.402 305 W HA -0.103 4.560 4.660 0.005 0.000 0.286 305 W C 2.419 178.932 176.519 -0.010 0.000 1.221 305 W CA 0.445 57.793 57.345 0.005 0.000 1.257 305 W CB -0.236 29.218 29.460 -0.009 0.000 1.120 305 W HN 0.129 nan 8.180 nan 0.000 0.551 306 L N 0.791 122.112 121.223 0.163 0.000 2.017 306 L HA -0.186 4.157 4.340 0.004 0.000 0.208 306 L C 2.565 179.478 176.870 0.072 0.000 1.073 306 L CA 1.787 56.679 54.840 0.088 0.000 0.745 306 L CB -0.395 41.681 42.059 0.029 0.000 0.894 306 L HN -0.102 nan 8.230 nan 0.000 0.432 307 R N -0.450 120.038 120.500 -0.019 0.000 2.091 307 R HA -0.237 4.106 4.340 0.004 0.000 0.238 307 R C 2.239 178.529 176.300 -0.017 0.000 1.136 307 R CA 1.662 57.715 56.100 -0.077 0.000 0.959 307 R CB -0.368 29.843 30.300 -0.149 0.000 0.856 307 R HN 0.388 nan 8.270 nan 0.000 0.437 308 E N 0.202 120.415 120.200 0.021 0.000 2.051 308 E HA -0.233 4.120 4.350 0.004 0.000 0.192 308 E C 1.750 178.442 176.600 0.153 0.000 0.991 308 E CA 1.782 58.216 56.400 0.057 0.000 0.799 308 E CB -0.230 29.492 29.700 0.037 0.000 0.748 308 E HN 0.461 nan 8.360 nan 0.000 0.449 309 H N -0.350 118.814 119.070 0.158 0.000 2.352 309 H HA -0.044 4.514 4.556 0.004 0.000 0.299 309 H C 1.541 176.951 175.328 0.137 0.000 1.097 309 H CA 2.134 58.296 56.048 0.190 0.000 1.311 309 H CB -0.040 29.871 29.762 0.247 0.000 1.377 309 H HN 0.133 nan 8.280 nan 0.000 0.504 310 N N 0.112 118.920 118.700 0.179 0.000 2.270 310 N HA -0.099 4.643 4.740 0.004 0.000 0.181 310 N C 1.927 177.433 175.510 -0.007 0.000 1.016 310 N CA 0.763 53.861 53.050 0.081 0.000 0.870 310 N CB -0.301 38.199 38.487 0.021 0.000 0.979 310 N HN 0.397 nan 8.380 nan 0.000 0.431 311 R N 0.685 121.176 120.500 -0.014 0.000 2.075 311 R HA -0.017 4.326 4.340 0.004 0.000 0.232 311 R C 1.583 177.874 176.300 -0.015 0.000 1.126 311 R CA 0.938 57.023 56.100 -0.025 0.000 0.963 311 R CB -0.112 30.170 30.300 -0.030 0.000 0.858 311 R HN -0.012 nan 8.270 nan 0.000 0.435 312 V N 0.137 120.042 119.914 -0.016 0.000 2.427 312 V HA -0.291 3.832 4.120 0.004 0.000 0.248 312 V C 2.505 178.585 176.094 -0.024 0.000 1.051 312 V CA 1.531 63.824 62.300 -0.011 0.000 1.048 312 V CB -0.421 31.405 31.823 0.004 0.000 0.666 312 V HN 0.515 nan 8.190 nan 0.000 0.456 313 C N 0.075 119.329 119.300 -0.077 0.000 2.413 313 C HA -0.185 4.277 4.460 0.004 0.000 0.276 313 C C 2.546 177.555 174.990 0.032 0.000 1.248 313 C CA 1.111 60.120 59.018 -0.014 0.000 1.742 313 C CB -1.031 26.709 27.740 0.000 0.000 2.017 313 C HN 0.596 nan 8.230 nan 0.000 0.481 314 D N 0.546 120.955 120.400 0.015 0.000 2.117 314 D HA -0.072 4.571 4.640 0.004 0.000 0.197 314 D C 1.920 178.224 176.300 0.007 0.000 0.987 314 D CA 1.131 55.139 54.000 0.014 0.000 0.829 314 D CB -0.350 40.449 40.800 -0.002 0.000 0.961 314 D HN 0.465 nan 8.370 nan 0.000 0.460 315 I N 0.418 120.990 120.570 0.004 0.000 2.179 315 I HA -0.229 3.944 4.170 0.004 0.000 0.242 315 I C 2.380 178.493 176.117 -0.007 0.000 1.088 315 I CA 0.711 62.009 61.300 -0.004 0.000 1.357 315 I CB -0.066 37.938 38.000 0.006 0.000 1.051 315 I HN -0.030 nan 8.210 nan 0.000 0.409 316 L N 0.358 121.598 121.223 0.029 0.000 2.141 316 L HA -0.195 4.148 4.340 0.004 0.000 0.209 316 L C 2.560 179.439 176.870 0.016 0.000 1.094 316 L CA 1.145 56.013 54.840 0.047 0.000 0.763 316 L CB -0.525 41.623 42.059 0.148 0.000 0.908 316 L HN 0.221 nan 8.230 nan 0.000 0.437 317 K N 0.112 120.538 120.400 0.044 0.000 2.148 317 K HA -0.232 4.090 4.320 0.004 0.000 0.204 317 K C 2.122 178.712 176.600 -0.017 0.000 1.050 317 K CA 1.310 57.625 56.287 0.046 0.000 0.942 317 K CB 0.089 32.629 32.500 0.066 0.000 0.724 317 K HN 0.318 nan 8.250 nan 0.000 0.446 318 Q N 0.029 119.802 119.800 -0.045 0.000 2.137 318 Q HA -0.106 4.237 4.340 0.004 0.000 0.198 318 Q C 1.637 177.544 176.000 -0.154 0.000 0.960 318 Q CA 0.908 56.666 55.803 -0.075 0.000 0.847 318 Q CB 0.300 29.003 28.738 -0.058 0.000 0.915 318 Q HN 0.236 nan 8.270 nan 0.000 0.448 319 E N -0.156 119.906 120.200 -0.231 0.000 2.107 319 E HA -0.089 4.263 4.350 0.004 0.000 0.191 319 E C 0.117 176.262 176.600 -0.760 0.000 0.982 319 E CA 0.944 57.062 56.400 -0.470 0.000 0.809 319 E CB 0.218 29.604 29.700 -0.523 0.000 0.756 319 E HN 0.417 nan 8.360 nan 0.000 0.459 320 H N -0.037 118.786 119.070 -0.411 0.000 2.423 320 H HA 0.168 4.726 4.556 0.004 0.000 0.237 320 H C -1.831 173.355 175.328 -0.236 0.000 1.391 320 H CA -1.515 54.207 56.048 -0.544 0.000 1.453 320 H CB 1.178 30.061 29.762 -1.465 0.000 1.484 320 H HN 0.037 nan 8.280 nan 0.000 0.505 321 P HA -0.151 nan 4.420 nan 0.000 0.228 321 P C 1.295 178.646 177.300 0.085 0.000 1.151 321 P CA 0.980 64.093 63.100 0.021 0.000 0.770 321 P CB 0.448 32.146 31.700 -0.004 0.000 0.786 322 E N -1.558 118.708 120.200 0.111 0.000 2.442 322 E HA -0.082 4.270 4.350 0.004 0.000 0.195 322 E C 0.146 176.942 176.600 0.327 0.000 1.030 322 E CA 0.019 56.528 56.400 0.182 0.000 0.869 322 E CB -0.557 29.244 29.700 0.169 0.000 0.857 322 E HN 0.124 nan 8.360 nan 0.000 0.505 323 W N 1.978 123.326 121.300 0.080 0.000 2.218 323 W HA 0.533 5.196 4.660 0.004 0.000 0.326 323 W C 1.120 177.668 176.519 0.049 0.000 1.276 323 W CA -0.171 57.202 57.345 0.046 0.000 1.210 323 W CB 0.708 30.187 29.460 0.031 0.000 1.143 323 W HN -0.021 nan 8.180 nan 0.000 0.563 324 G N 1.042 109.960 108.800 0.198 0.000 2.557 324 G HA2 0.078 4.041 3.960 0.004 0.000 0.292 324 G HA3 0.078 4.041 3.960 0.004 0.000 0.292 324 G C 0.439 175.422 174.900 0.138 0.000 1.237 324 G CA -0.124 45.055 45.100 0.132 0.000 0.978 324 G HN 0.507 nan 8.290 nan 0.000 0.498 325 D N -0.888 119.588 120.400 0.127 0.000 2.133 325 D HA -0.201 4.441 4.640 0.004 0.000 0.195 325 D C 2.007 178.389 176.300 0.137 0.000 0.997 325 D CA 1.853 55.937 54.000 0.140 0.000 0.840 325 D CB 0.070 40.955 40.800 0.140 0.000 0.947 325 D HN 0.436 nan 8.370 nan 0.000 0.452 326 E N 0.176 120.434 120.200 0.097 0.000 2.051 326 E HA -0.242 4.111 4.350 0.004 0.000 0.192 326 E C 2.086 178.728 176.600 0.070 0.000 0.991 326 E CA 1.457 57.913 56.400 0.094 0.000 0.799 326 E CB -0.361 29.372 29.700 0.056 0.000 0.748 326 E HN 0.487 nan 8.360 nan 0.000 0.449 327 Q N -0.389 119.371 119.800 -0.066 0.000 2.079 327 Q HA -0.089 4.253 4.340 0.004 0.000 0.200 327 Q C 2.268 178.205 176.000 -0.105 0.000 0.974 327 Q CA 1.245 56.888 55.803 -0.267 0.000 0.840 327 Q CB -0.105 28.203 28.738 -0.715 0.000 0.898 327 Q HN 0.361 nan 8.270 nan 0.000 0.430 328 L N -0.095 121.200 121.223 0.120 0.000 2.042 328 L HA -0.199 4.144 4.340 0.004 0.000 0.210 328 L C 2.308 179.296 176.870 0.197 0.000 1.076 328 L CA 1.377 56.374 54.840 0.262 0.000 0.749 328 L CB -0.499 41.725 42.059 0.275 0.000 0.893 328 L HN 0.330 nan 8.230 nan 0.000 0.432 329 F N 0.390 120.387 119.950 0.079 0.000 2.060 329 F HA -0.228 4.301 4.527 0.004 0.000 0.295 329 F C 2.749 178.592 175.800 0.072 0.000 1.120 329 F CA 1.498 59.571 58.000 0.121 0.000 1.205 329 F CB -0.281 38.749 39.000 0.050 0.000 0.986 329 F HN 0.008 nan 8.300 nan 0.000 0.470 330 Q N 0.162 119.945 119.800 -0.028 0.000 2.061 330 Q HA -0.173 4.170 4.340 0.004 0.000 0.204 330 Q C 2.233 178.140 176.000 -0.156 0.000 0.984 330 Q CA 2.442 58.149 55.803 -0.160 0.000 0.846 330 Q CB -1.321 27.395 28.738 -0.036 0.000 0.902 330 Q HN 0.443 nan 8.270 nan 0.000 0.421 331 T N 0.927 115.440 114.554 -0.068 0.000 2.746 331 T HA -0.077 4.275 4.350 0.004 0.000 0.267 331 T C 2.177 176.934 174.700 0.096 0.000 1.039 331 T CA 1.402 63.527 62.100 0.041 0.000 1.142 331 T CB -0.176 68.787 68.868 0.159 0.000 0.866 331 T HN 0.206 nan 8.240 nan 0.000 0.444 332 S N 0.951 116.662 115.700 0.018 0.000 2.368 332 S HA -0.112 4.360 4.470 0.004 0.000 0.225 332 S C 2.068 176.707 174.600 0.064 0.000 1.030 332 S CA 1.089 59.280 58.200 -0.016 0.000 0.999 332 S CB -0.265 62.748 63.200 -0.313 0.000 0.844 332 S HN 0.445 nan 8.310 nan 0.000 0.459 333 R N 1.056 121.489 120.500 -0.110 0.000 2.080 333 R HA -0.075 4.267 4.340 0.004 0.000 0.236 333 R C 2.145 178.502 176.300 0.096 0.000 1.137 333 R CA 1.393 57.402 56.100 -0.151 0.000 0.943 333 R CB -0.452 29.429 30.300 -0.699 0.000 0.846 333 R HN 0.356 nan 8.270 nan 0.000 0.431 334 L N 0.286 121.588 121.223 0.131 0.000 2.083 334 L HA -0.187 4.155 4.340 0.004 0.000 0.209 334 L C 2.484 179.636 176.870 0.470 0.000 1.083 334 L CA 1.195 56.233 54.840 0.330 0.000 0.752 334 L CB -0.380 41.883 42.059 0.340 0.000 0.899 334 L HN 0.292 nan 8.230 nan 0.000 0.433 335 I N -0.610 120.202 120.570 0.405 0.000 2.226 335 I HA -0.304 3.868 4.170 0.004 0.000 0.245 335 I C 2.343 178.616 176.117 0.260 0.000 1.100 335 I CA 1.170 62.644 61.300 0.291 0.000 1.374 335 I CB -0.109 38.039 38.000 0.247 0.000 1.057 335 I HN 0.179 nan 8.210 nan 0.000 0.413 336 L N 0.214 121.615 121.223 0.297 0.000 2.093 336 L HA -0.161 4.182 4.340 0.004 0.000 0.208 336 L C 2.288 179.308 176.870 0.250 0.000 1.085 336 L CA 1.686 56.730 54.840 0.340 0.000 0.755 336 L CB -0.484 41.817 42.059 0.403 0.000 0.904 336 L HN 0.151 nan 8.230 nan 0.000 0.435 337 I N -0.933 119.781 120.570 0.240 0.000 2.163 337 I HA -0.277 3.896 4.170 0.004 0.000 0.243 337 I C 2.513 178.760 176.117 0.217 0.000 1.085 337 I CA 1.497 62.921 61.300 0.208 0.000 1.347 337 I CB -1.039 37.099 38.000 0.230 0.000 1.044 337 I HN 0.360 nan 8.210 nan 0.000 0.408 338 G N 0.358 109.323 108.800 0.275 0.000 2.446 338 G HA2 -0.243 3.719 3.960 0.004 0.000 0.217 338 G HA3 -0.243 3.719 3.960 0.004 0.000 0.217 338 G C 1.515 176.547 174.900 0.220 0.000 1.168 338 G CA 0.692 45.964 45.100 0.286 0.000 0.771 338 G HN 0.424 nan 8.290 nan 0.000 0.551 339 E N -0.185 120.161 120.200 0.243 0.000 2.085 339 E HA -0.113 4.239 4.350 0.004 0.000 0.194 339 E C 2.794 179.573 176.600 0.298 0.000 0.994 339 E CA 1.485 58.056 56.400 0.286 0.000 0.801 339 E CB -0.210 29.730 29.700 0.401 0.000 0.743 339 E HN 0.374 nan 8.360 nan 0.000 0.453 340 T N 1.391 116.105 114.554 0.266 0.000 2.674 340 T HA -0.119 4.233 4.350 0.004 0.000 0.265 340 T C 2.021 176.745 174.700 0.039 0.000 1.039 340 T CA 0.995 63.213 62.100 0.198 0.000 1.150 340 T CB -0.219 68.678 68.868 0.048 0.000 0.864 340 T HN 0.109 nan 8.240 nan 0.000 0.427 341 I N 1.016 121.536 120.570 -0.084 0.000 2.286 341 I HA -0.166 4.007 4.170 0.004 0.000 0.248 341 I C 2.518 178.289 176.117 -0.577 0.000 1.115 341 I CA 1.136 62.224 61.300 -0.352 0.000 1.392 341 I CB -0.294 37.385 38.000 -0.535 0.000 1.065 341 I HN 0.149 nan 8.210 nan 0.000 0.418 342 K N 1.881 122.012 120.400 -0.448 0.000 2.025 342 K HA -0.102 4.221 4.320 0.004 0.000 0.207 342 K C 1.887 178.494 176.600 0.013 0.000 1.049 342 K CA 1.667 57.868 56.287 -0.143 0.000 0.933 342 K CB -0.310 32.302 32.500 0.186 0.000 0.714 342 K HN 0.222 nan 8.250 nan 0.000 0.438 343 I N 0.123 120.733 120.570 0.067 0.000 2.252 343 I HA -0.222 3.950 4.170 0.004 0.000 0.245 343 I C 2.035 178.213 176.117 0.101 0.000 1.102 343 I CA 0.749 62.112 61.300 0.105 0.000 1.385 343 I CB -0.120 37.993 38.000 0.190 0.000 1.064 343 I HN -0.032 nan 8.210 nan 0.000 0.414 344 V N 1.129 121.065 119.914 0.038 0.000 2.343 344 V HA -0.276 3.846 4.120 0.004 0.000 0.247 344 V C 2.232 178.417 176.094 0.151 0.000 1.051 344 V CA 1.901 64.204 62.300 0.006 0.000 1.036 344 V CB -0.348 31.280 31.823 -0.326 0.000 0.654 344 V HN 0.320 nan 8.190 nan 0.000 0.451 345 I N -0.448 120.165 120.570 0.072 0.000 2.206 345 I HA -0.154 4.018 4.170 0.004 0.000 0.239 345 I C 2.439 178.633 176.117 0.127 0.000 1.078 345 I CA 1.542 62.910 61.300 0.115 0.000 1.367 345 I CB -0.363 37.694 38.000 0.094 0.000 1.078 345 I HN 0.290 nan 8.210 nan 0.000 0.413 346 E N 0.219 120.485 120.200 0.110 0.000 2.299 346 E HA -0.111 4.242 4.350 0.004 0.000 0.193 346 E C 1.081 177.735 176.600 0.091 0.000 0.998 346 E CA 0.635 57.086 56.400 0.084 0.000 0.851 346 E CB 0.223 29.971 29.700 0.079 0.000 0.795 346 E HN 0.495 nan 8.360 nan 0.000 0.492 347 D N -0.583 119.906 120.400 0.148 0.000 2.840 347 D HA -0.044 4.598 4.640 0.004 0.000 0.277 347 D C 1.584 178.157 176.300 0.455 0.000 1.066 347 D CA 0.324 54.453 54.000 0.215 0.000 0.979 347 D CB -0.145 40.716 40.800 0.102 0.000 1.157 347 D HN 0.061 nan 8.370 nan 0.000 0.466 348 Y N 2.281 122.764 120.300 0.305 0.000 2.130 348 Y HA -0.147 4.405 4.550 0.004 0.000 0.287 348 Y C 2.210 178.260 175.900 0.250 0.000 1.124 348 Y CA 1.371 59.569 58.100 0.163 0.000 1.118 348 Y CB -0.392 38.008 38.460 -0.101 0.000 0.994 348 Y HN -0.274 nan 8.280 nan 0.000 0.497 349 V N 0.761 120.845 119.914 0.283 0.000 2.407 349 V HA -0.297 3.825 4.120 0.004 0.000 0.248 349 V C 2.319 178.424 176.094 0.018 0.000 1.055 349 V CA 2.084 64.477 62.300 0.155 0.000 1.049 349 V CB -0.846 31.112 31.823 0.225 0.000 0.662 349 V HN 0.425 nan 8.190 nan 0.000 0.455 350 Q N 0.478 120.311 119.800 0.056 0.000 2.077 350 Q HA -0.288 4.054 4.340 0.004 0.000 0.206 350 Q C 2.129 178.098 176.000 -0.052 0.000 0.989 350 Q CA 2.668 58.463 55.803 -0.014 0.000 0.853 350 Q CB -0.581 28.178 28.738 0.035 0.000 0.907 350 Q HN 0.841 nan 8.270 nan 0.000 0.418 351 H N -0.560 118.481 119.070 -0.048 0.000 2.321 351 H HA -0.049 4.510 4.556 0.005 0.000 0.300 351 H C 1.779 176.960 175.328 -0.245 0.000 1.087 351 H CA 1.977 57.961 56.048 -0.106 0.000 1.319 351 H CB -0.327 29.437 29.762 0.003 0.000 1.379 351 H HN 0.321 nan 8.280 nan 0.000 0.501 352 L N 0.151 121.159 121.223 -0.360 0.000 2.042 352 L HA -0.218 4.125 4.340 0.004 0.000 0.210 352 L C 2.821 179.465 176.870 -0.376 0.000 1.076 352 L CA 1.609 56.211 54.840 -0.397 0.000 0.749 352 L CB -0.647 41.360 42.059 -0.087 0.000 0.893 352 L HN 0.524 nan 8.230 nan 0.000 0.432 353 S N -0.434 115.021 115.700 -0.408 0.000 2.368 353 S HA -0.127 4.345 4.470 0.004 0.000 0.225 353 S C 1.742 176.007 174.600 -0.560 0.000 1.030 353 S CA 0.972 58.747 58.200 -0.709 0.000 0.999 353 S CB -0.590 61.839 63.200 -1.285 0.000 0.844 353 S HN 0.587 nan 8.310 nan 0.000 0.459 354 G N -0.197 108.348 108.800 -0.425 0.000 2.148 354 G HA2 -0.248 3.714 3.960 0.004 0.000 0.254 354 G HA3 -0.248 3.714 3.960 0.004 0.000 0.254 354 G C -0.107 174.644 174.900 -0.249 0.000 0.981 354 G CA 0.427 45.342 45.100 -0.307 0.000 0.670 354 G HN 0.534 nan 8.290 nan 0.000 0.528 355 Y N 0.260 120.366 120.300 -0.324 0.000 2.379 355 Y HA 0.409 4.962 4.550 0.004 0.000 0.337 355 Y C 1.811 177.465 175.900 -0.410 0.000 1.238 355 Y CA -0.733 57.124 58.100 -0.404 0.000 1.405 355 Y CB 0.428 38.738 38.460 -0.251 0.000 1.310 355 Y HN 0.214 nan 8.280 nan 0.000 0.569 356 H N 1.367 120.348 119.070 -0.149 0.000 2.482 356 H HA -0.060 4.499 4.556 0.004 0.000 0.286 356 H C 0.361 175.626 175.328 -0.105 0.000 1.017 356 H CA 0.083 56.069 56.048 -0.104 0.000 1.322 356 H CB -0.092 29.671 29.762 0.000 0.000 1.426 356 H HN 0.491 nan 8.280 nan 0.000 0.546 357 F N 3.107 122.789 119.950 -0.447 0.000 2.578 357 F HA 0.091 4.621 4.527 0.004 0.000 0.376 357 F C 0.453 176.215 175.800 -0.063 0.000 1.085 357 F CA -0.417 57.376 58.000 -0.344 0.000 1.260 357 F CB 0.448 38.959 39.000 -0.814 0.000 1.095 357 F HN -0.264 nan 8.300 nan 0.000 0.573 358 K N 8.089 128.025 120.400 -0.773 0.000 2.273 358 K HA 0.256 4.578 4.320 0.004 0.000 0.287 358 K C -0.485 175.537 176.600 -0.963 0.000 1.089 358 K CA -0.367 55.548 56.287 -0.619 0.000 0.909 358 K CB 0.433 32.754 32.500 -0.298 0.000 1.123 358 K HN 0.644 nan 8.250 nan 0.000 0.473 359 L N 3.220 124.123 121.223 -0.534 0.000 2.485 359 L HA 0.107 4.450 4.340 0.004 0.000 0.275 359 L C 0.497 177.297 176.870 -0.118 0.000 1.207 359 L CA 0.421 55.118 54.840 -0.237 0.000 0.855 359 L CB 0.148 42.210 42.059 0.004 0.000 1.114 359 L HN 0.448 nan 8.230 nan 0.000 0.485 360 K N 2.754 123.144 120.400 -0.016 0.000 2.324 360 K HA 0.329 4.651 4.320 0.004 0.000 0.253 360 K C -1.255 175.416 176.600 0.118 0.000 0.932 360 K CA -0.744 55.562 56.287 0.031 0.000 0.799 360 K CB 1.455 33.957 32.500 0.003 0.000 1.154 360 K HN 0.315 nan 8.250 nan 0.000 0.425 361 F N 4.617 124.550 119.950 -0.029 0.000 2.368 361 F HA 0.298 4.828 4.527 0.004 0.000 0.362 361 F C -0.965 174.772 175.800 -0.105 0.000 1.137 361 F CA -0.792 57.175 58.000 -0.056 0.000 1.161 361 F CB 0.421 39.410 39.000 -0.018 0.000 1.265 361 F HN 0.479 nan 8.300 nan 0.000 0.530 362 D N 8.203 128.309 120.400 -0.490 0.000 2.323 362 D HA 0.344 4.986 4.640 0.004 0.000 0.242 362 D C -2.308 173.570 176.300 -0.703 0.000 1.347 362 D CA -1.981 51.644 54.000 -0.625 0.000 0.988 362 D CB 1.967 42.591 40.800 -0.294 0.000 1.314 362 D HN 0.161 nan 8.370 nan 0.000 0.564 363 P HA -0.123 nan 4.420 nan 0.000 0.217 363 P C 0.866 177.509 177.300 -1.095 0.000 1.148 363 P CA 0.943 63.483 63.100 -0.933 0.000 0.828 363 P CB 0.335 31.265 31.700 -1.282 0.000 0.783 364 E N -0.657 118.855 120.200 -1.146 0.000 2.331 364 E HA -0.134 4.219 4.350 0.004 0.000 0.199 364 E C 1.739 177.933 176.600 -0.678 0.000 1.008 364 E CA 0.651 56.288 56.400 -1.272 0.000 0.843 364 E CB -0.526 28.905 29.700 -0.448 0.000 0.761 364 E HN 0.346 nan 8.360 nan 0.000 0.507 365 L N 0.141 121.091 121.223 -0.455 0.000 2.275 365 L HA -0.138 4.205 4.340 0.004 0.000 0.215 365 L C 2.051 178.817 176.870 -0.172 0.000 1.119 365 L CA 0.730 55.430 54.840 -0.234 0.000 0.790 365 L CB -0.135 41.815 42.059 -0.182 0.000 0.919 365 L HN 0.156 nan 8.230 nan 0.000 0.443 366 L N -2.199 118.893 121.223 -0.218 0.000 2.616 366 L HA 0.064 4.407 4.340 0.004 0.000 0.229 366 L C 1.966 178.971 176.870 0.225 0.000 1.110 366 L CA -0.325 54.475 54.840 -0.067 0.000 0.884 366 L CB -0.087 41.816 42.059 -0.259 0.000 1.115 366 L HN 0.079 nan 8.230 nan 0.000 0.481 367 F N 1.661 121.661 119.950 0.084 0.000 2.202 367 F HA -0.193 4.337 4.527 0.004 0.000 0.301 367 F C 2.197 178.069 175.800 0.119 0.000 1.082 367 F CA 0.929 59.011 58.000 0.137 0.000 1.313 367 F CB -0.817 38.261 39.000 0.129 0.000 1.024 367 F HN 0.391 nan 8.300 nan 0.000 0.495 368 N N -0.626 118.238 118.700 0.273 0.000 2.270 368 N HA -0.025 4.717 4.740 0.004 0.000 0.198 368 N C 0.052 175.645 175.510 0.139 0.000 1.117 368 N CA 0.153 53.311 53.050 0.179 0.000 0.845 368 N CB -0.049 38.523 38.487 0.141 0.000 0.980 368 N HN 0.167 nan 8.380 nan 0.000 0.486 369 Q N 0.506 120.395 119.800 0.149 0.000 2.297 369 Q HA 0.302 4.644 4.340 0.004 0.000 0.268 369 Q C -0.475 175.615 176.000 0.150 0.000 1.045 369 Q CA -0.424 55.450 55.803 0.118 0.000 0.861 369 Q CB 1.706 30.491 28.738 0.077 0.000 1.344 369 Q HN 0.276 nan 8.270 nan 0.000 0.452 370 Q N 1.240 121.117 119.800 0.129 0.000 2.323 370 Q HA 0.407 4.749 4.340 0.004 0.000 0.257 370 Q C -1.174 174.931 176.000 0.175 0.000 1.022 370 Q CA 0.154 56.033 55.803 0.126 0.000 0.919 370 Q CB 0.344 29.134 28.738 0.087 0.000 1.220 370 Q HN 0.348 nan 8.270 nan 0.000 0.427 371 F N 1.769 121.674 119.950 -0.075 0.000 2.604 371 F HA 0.185 4.714 4.527 0.004 0.000 0.316 371 F C -1.349 174.270 175.800 -0.303 0.000 1.136 371 F CA -0.819 57.062 58.000 -0.198 0.000 0.989 371 F CB 1.711 40.541 39.000 -0.283 0.000 1.258 371 F HN 0.271 nan 8.300 nan 0.000 0.451 372 Q N 5.649 124.924 119.800 -0.876 0.000 2.331 372 Q HA 0.178 4.520 4.340 0.004 0.000 0.257 372 Q C -1.146 174.447 176.000 -0.678 0.000 0.957 372 Q CA -0.340 55.123 55.803 -0.567 0.000 0.923 372 Q CB 0.985 29.503 28.738 -0.367 0.000 1.212 372 Q HN 0.654 nan 8.270 nan 0.000 0.443 373 Y N 2.803 123.050 120.300 -0.087 0.000 2.889 373 Y HA 0.039 4.591 4.550 0.004 0.000 0.367 373 Y C 0.613 176.504 175.900 -0.016 0.000 1.197 373 Y CA -0.070 58.057 58.100 0.046 0.000 1.993 373 Y CB -0.040 38.514 38.460 0.157 0.000 2.112 373 Y HN 0.387 nan 8.280 nan 0.000 0.413 374 Q N -0.405 119.391 119.800 -0.006 0.000 2.472 374 Q HA 0.553 4.895 4.340 0.004 0.000 0.281 374 Q C -1.894 174.067 176.000 -0.066 0.000 0.997 374 Q CA -1.215 54.578 55.803 -0.017 0.000 0.828 374 Q CB 2.178 30.899 28.738 -0.028 0.000 1.443 374 Q HN 0.242 nan 8.270 nan 0.000 0.390 375 N N -0.049 118.622 118.700 -0.049 0.000 2.416 375 N HA 0.675 5.417 4.740 0.004 0.000 0.276 375 N C -2.068 173.399 175.510 -0.073 0.000 1.261 375 N CA -0.619 52.398 53.050 -0.054 0.000 0.790 375 N CB 2.411 40.880 38.487 -0.029 0.000 1.554 375 N HN 0.617 nan 8.380 nan 0.000 0.481 376 R N 2.236 122.696 120.500 -0.066 0.000 2.533 376 R HA 0.477 4.819 4.340 0.004 0.000 0.288 376 R C -1.241 175.121 176.300 0.103 0.000 1.039 376 R CA -0.536 55.498 56.100 -0.110 0.000 0.909 376 R CB 0.569 30.714 30.300 -0.258 0.000 1.195 376 R HN 0.521 nan 8.270 nan 0.000 0.438 377 I N 3.936 124.750 120.570 0.408 0.000 2.581 377 I HA 0.185 4.358 4.170 0.004 0.000 0.285 377 I C 0.660 176.967 176.117 0.318 0.000 1.129 377 I CA 0.047 61.562 61.300 0.359 0.000 1.397 377 I CB 0.163 38.424 38.000 0.435 0.000 1.399 377 I HN 0.713 nan 8.210 nan 0.000 0.537 378 A N 4.975 127.845 122.820 0.085 0.000 2.401 378 A HA 0.211 4.533 4.320 0.004 0.000 0.259 378 A C 1.393 178.889 177.584 -0.146 0.000 1.103 378 A CA -0.066 51.931 52.037 -0.067 0.000 0.789 378 A CB 0.557 19.328 19.000 -0.382 0.000 1.035 378 A HN 0.798 nan 8.150 nan 0.000 0.491 379 S N 0.967 116.596 115.700 -0.119 0.000 2.383 379 S HA -0.176 4.297 4.470 0.004 0.000 0.229 379 S C 1.624 176.099 174.600 -0.208 0.000 1.030 379 S CA 2.284 60.328 58.200 -0.260 0.000 1.002 379 S CB -0.341 62.865 63.200 0.011 0.000 0.829 379 S HN 0.794 nan 8.310 nan 0.000 0.467 380 E N 0.098 120.187 120.200 -0.185 0.000 2.150 380 E HA -0.023 4.329 4.350 0.004 0.000 0.193 380 E C 1.550 178.049 176.600 -0.168 0.000 0.985 380 E CA 0.790 57.088 56.400 -0.170 0.000 0.814 380 E CB -0.293 29.291 29.700 -0.194 0.000 0.752 380 E HN 0.567 nan 8.360 nan 0.000 0.466 381 F N 1.949 121.519 119.950 -0.634 0.000 2.146 381 F HA -0.143 4.386 4.527 0.004 0.000 0.298 381 F C 1.943 177.547 175.800 -0.327 0.000 1.096 381 F CA 1.430 59.142 58.000 -0.481 0.000 1.275 381 F CB -0.626 37.999 39.000 -0.624 0.000 1.008 381 F HN -0.007 nan 8.300 nan 0.000 0.480 382 N N -0.337 117.952 118.700 -0.684 0.000 2.069 382 N HA -0.184 4.559 4.740 0.004 0.000 0.191 382 N C 1.678 176.797 175.510 -0.652 0.000 1.031 382 N CA 2.543 54.751 53.050 -1.404 0.000 0.852 382 N CB -0.630 37.135 38.487 -1.205 0.000 1.018 382 N HN 0.274 nan 8.380 nan 0.000 0.423 383 T N 0.910 115.290 114.554 -0.290 0.000 2.708 383 T HA -0.109 4.244 4.350 0.004 0.000 0.266 383 T C 1.809 176.552 174.700 0.072 0.000 1.037 383 T CA 1.530 63.558 62.100 -0.120 0.000 1.146 383 T CB -0.488 68.327 68.868 -0.087 0.000 0.865 383 T HN 0.440 nan 8.240 nan 0.000 0.435 384 L N -1.146 120.110 121.223 0.055 0.000 2.265 384 L HA 0.104 4.447 4.340 0.004 0.000 0.215 384 L C 1.874 178.785 176.870 0.067 0.000 1.117 384 L CA 1.467 56.391 54.840 0.140 0.000 0.782 384 L CB -1.176 40.966 42.059 0.139 0.000 0.914 384 L HN 0.151 nan 8.230 nan 0.000 0.441 385 Y N -0.554 119.558 120.300 -0.314 0.000 2.471 385 Y HA 0.113 4.666 4.550 0.004 0.000 0.286 385 Y C 0.551 175.973 175.900 -0.798 0.000 1.188 385 Y CA -0.257 57.331 58.100 -0.853 0.000 1.286 385 Y CB -0.272 37.643 38.460 -0.908 0.000 1.072 385 Y HN 0.277 nan 8.280 nan 0.000 0.517 386 H N -0.528 118.399 119.070 -0.239 0.000 3.195 386 H HA -0.031 4.528 4.556 0.004 0.000 0.241 386 H C -0.625 174.659 175.328 -0.074 0.000 1.823 386 H CA -0.190 55.691 56.048 -0.278 0.000 1.466 386 H CB -0.741 28.822 29.762 -0.332 0.000 1.819 386 H HN 0.249 nan 8.280 nan 0.000 0.575 387 W N 1.498 122.763 121.300 -0.059 0.000 1.694 387 W HA 0.118 4.780 4.660 0.003 0.000 0.425 387 W C 0.478 177.054 176.519 0.094 0.000 0.615 387 W CA -0.739 56.648 57.345 0.070 0.000 2.237 387 W CB -1.387 28.182 29.460 0.182 0.000 1.478 387 W HN 0.731 nan 8.180 nan 0.000 0.427 388 H N 0.820 120.145 119.070 0.423 0.000 2.387 388 H HA -0.153 4.406 4.556 0.004 0.000 0.299 388 H C -0.444 175.041 175.328 0.261 0.000 1.099 388 H CA 1.727 57.962 56.048 0.313 0.000 1.315 388 H CB -1.227 28.703 29.762 0.279 0.000 1.380 388 H HN 0.039 nan 8.280 nan 0.000 0.513 389 P HA -0.144 nan 4.420 nan 0.000 0.221 389 P C 1.193 178.615 177.300 0.203 0.000 1.145 389 P CA 1.018 64.247 63.100 0.215 0.000 0.795 389 P CB -0.006 31.765 31.700 0.118 0.000 0.775 390 L N -1.595 119.768 121.223 0.233 0.000 2.129 390 L HA -0.153 4.189 4.340 0.004 0.000 0.212 390 L C 1.149 178.137 176.870 0.196 0.000 1.087 390 L CA 0.714 55.681 54.840 0.211 0.000 0.757 390 L CB -0.877 41.352 42.059 0.282 0.000 0.896 390 L HN 0.019 nan 8.230 nan 0.000 0.434 391 L N 1.429 122.788 121.223 0.226 0.000 2.499 391 L HA 0.079 4.422 4.340 0.004 0.000 0.273 391 L C -1.836 175.107 176.870 0.121 0.000 1.195 391 L CA -1.441 53.508 54.840 0.182 0.000 0.882 391 L CB -0.067 42.245 42.059 0.421 0.000 1.133 391 L HN -0.085 nan 8.230 nan 0.000 0.483 392 P HA 0.135 nan 4.420 nan 0.000 0.279 392 P C -0.332 176.748 177.300 -0.366 0.000 1.276 392 P CA -0.490 62.349 63.100 -0.435 0.000 0.801 392 P CB 1.058 32.345 31.700 -0.689 0.000 1.127 393 D N -1.123 119.046 120.400 -0.384 0.000 2.144 393 D HA -0.034 4.609 4.640 0.004 0.000 0.200 393 D C 0.866 177.049 176.300 -0.196 0.000 0.978 393 D CA 1.692 55.614 54.000 -0.129 0.000 0.833 393 D CB -0.156 40.571 40.800 -0.121 0.000 0.961 393 D HN 0.533 nan 8.370 nan 0.000 0.470 394 T N -2.517 111.784 114.554 -0.421 0.000 2.906 394 T HA 0.580 4.933 4.350 0.004 0.000 0.295 394 T C -0.669 173.642 174.700 -0.649 0.000 1.075 394 T CA -0.905 60.957 62.100 -0.397 0.000 1.005 394 T CB 1.403 70.164 68.868 -0.179 0.000 1.136 394 T HN -0.203 nan 8.240 nan 0.000 0.498 395 F N 2.148 121.918 119.950 -0.300 0.000 2.334 395 F HA 0.416 4.944 4.527 0.003 0.000 0.367 395 F C 0.380 176.123 175.800 -0.096 0.000 1.115 395 F CA -1.075 56.740 58.000 -0.309 0.000 1.116 395 F CB 0.903 39.346 39.000 -0.928 0.000 1.230 395 F HN 0.433 nan 8.300 nan 0.000 0.484 396 N N 5.652 124.386 118.700 0.058 0.000 2.437 396 N HA 0.395 5.137 4.740 0.004 0.000 0.243 396 N C -0.720 174.718 175.510 -0.120 0.000 1.041 396 N CA -0.084 52.943 53.050 -0.038 0.000 0.940 396 N CB 1.263 39.710 38.487 -0.067 0.000 1.133 396 N HN 0.501 nan 8.380 nan 0.000 0.506 397 I N 1.010 121.457 120.570 -0.204 0.000 2.418 397 I HA 0.140 4.313 4.170 0.004 0.000 0.287 397 I C 1.001 176.910 176.117 -0.346 0.000 1.008 397 I CA -0.389 60.650 61.300 -0.434 0.000 1.104 397 I CB 1.302 38.885 38.000 -0.695 0.000 1.264 397 I HN 0.544 nan 8.210 nan 0.000 0.438 398 E N 3.505 123.563 120.200 -0.237 0.000 3.213 398 E HA -0.426 3.927 4.350 0.004 0.000 0.374 398 E C 1.117 177.681 176.600 -0.059 0.000 1.500 398 E CA 2.242 58.593 56.400 -0.082 0.000 1.497 398 E CB -0.645 29.084 29.700 0.047 0.000 1.692 398 E HN 0.828 nan 8.360 nan 0.000 0.494 399 D N 0.789 121.181 120.400 -0.014 0.000 2.350 399 D HA 0.062 4.704 4.640 0.004 0.000 0.213 399 D C 0.530 176.785 176.300 -0.074 0.000 1.031 399 D CA 0.584 54.566 54.000 -0.030 0.000 0.861 399 D CB 0.078 40.878 40.800 -0.001 0.000 0.926 399 D HN 0.175 nan 8.370 nan 0.000 0.520 400 Q N 0.095 119.826 119.800 -0.114 0.000 2.260 400 Q HA 0.492 4.834 4.340 0.004 0.000 0.242 400 Q C -0.813 174.983 176.000 -0.339 0.000 0.932 400 Q CA 0.070 55.708 55.803 -0.276 0.000 0.891 400 Q CB 1.568 30.051 28.738 -0.424 0.000 1.222 400 Q HN 0.506 nan 8.270 nan 0.000 0.453 401 E N 1.838 121.810 120.200 -0.380 0.000 2.267 401 E HA 0.262 4.615 4.350 0.004 0.000 0.248 401 E C -1.275 175.186 176.600 -0.231 0.000 0.899 401 E CA -0.279 55.974 56.400 -0.245 0.000 0.764 401 E CB 0.949 30.564 29.700 -0.143 0.000 1.227 401 E HN 0.374 nan 8.360 nan 0.000 0.421 402 Y N 1.204 121.549 120.300 0.075 0.000 2.313 402 Y HA 0.156 4.709 4.550 0.004 0.000 0.332 402 Y C 1.131 177.121 175.900 0.151 0.000 1.071 402 Y CA -0.672 57.525 58.100 0.162 0.000 1.169 402 Y CB 1.174 39.819 38.460 0.309 0.000 1.192 402 Y HN 0.360 nan 8.280 nan 0.000 0.487 403 S N 1.538 117.436 115.700 0.330 0.000 2.624 403 S HA 0.192 4.665 4.470 0.004 0.000 0.263 403 S C 0.864 175.710 174.600 0.410 0.000 1.287 403 S CA -0.560 57.821 58.200 0.302 0.000 0.990 403 S CB 0.391 63.748 63.200 0.263 0.000 0.950 403 S HN 0.593 nan 8.310 nan 0.000 0.561 404 F N 0.824 120.986 119.950 0.352 0.000 2.091 404 F HA -0.124 4.407 4.527 0.005 0.000 0.299 404 F C 3.083 179.076 175.800 0.321 0.000 1.103 404 F CA 2.026 60.266 58.000 0.399 0.000 1.228 404 F CB -0.657 38.524 39.000 0.301 0.000 0.984 404 F HN 0.613 nan 8.300 nan 0.000 0.477 405 K N 0.157 120.820 120.400 0.439 0.000 2.032 405 K HA -0.216 4.107 4.320 0.004 0.000 0.209 405 K C 1.979 178.751 176.600 0.288 0.000 1.048 405 K CA 1.973 58.448 56.287 0.313 0.000 0.927 405 K CB -0.654 31.988 32.500 0.236 0.000 0.712 405 K HN 0.505 nan 8.250 nan 0.000 0.441 406 Q N -1.842 118.144 119.800 0.310 0.000 2.170 406 Q HA -0.053 4.290 4.340 0.004 0.000 0.203 406 Q C 1.942 178.097 176.000 0.259 0.000 0.976 406 Q CA 1.905 57.889 55.803 0.301 0.000 0.858 406 Q CB -0.167 28.816 28.738 0.409 0.000 0.907 406 Q HN 0.502 nan 8.270 nan 0.000 0.433 407 F N 0.543 120.553 119.950 0.099 0.000 2.317 407 F HA 0.104 4.632 4.527 0.002 0.000 0.293 407 F C 0.645 176.399 175.800 -0.075 0.000 1.085 407 F CA 0.144 58.103 58.000 -0.067 0.000 1.390 407 F CB 0.316 39.203 39.000 -0.188 0.000 1.077 407 F HN -0.121 nan 8.300 nan 0.000 0.517 408 L N 1.019 122.293 121.223 0.084 0.000 2.499 408 L HA -0.092 4.251 4.340 0.004 0.000 0.273 408 L C 0.310 177.195 176.870 0.026 0.000 1.195 408 L CA 0.081 54.898 54.840 -0.038 0.000 0.882 408 L CB -0.209 41.896 42.059 0.076 0.000 1.133 408 L HN 0.361 nan 8.230 nan 0.000 0.483 409 Y N 0.454 120.730 120.300 -0.041 0.000 4.899 409 Y HA -0.301 4.251 4.550 0.004 0.000 0.241 409 Y C 0.869 176.729 175.900 -0.067 0.000 0.976 409 Y CA 0.671 58.770 58.100 -0.001 0.000 1.952 409 Y CB -1.586 36.913 38.460 0.065 0.000 1.496 409 Y HN 0.671 nan 8.280 nan 0.000 0.545 410 N N 1.516 120.182 118.700 -0.056 0.000 2.719 410 N HA 0.140 4.883 4.740 0.004 0.000 0.243 410 N C 0.588 175.967 175.510 -0.219 0.000 1.104 410 N CA 0.077 53.051 53.050 -0.126 0.000 0.981 410 N CB 0.063 38.469 38.487 -0.136 0.000 1.290 410 N HN 0.239 nan 8.380 nan 0.000 0.513 411 N N 0.207 118.787 118.700 -0.199 0.000 2.494 411 N HA -0.100 4.643 4.740 0.004 0.000 0.182 411 N C 1.461 176.835 175.510 -0.226 0.000 1.076 411 N CA 0.364 53.275 53.050 -0.233 0.000 0.908 411 N CB 0.207 38.478 38.487 -0.360 0.000 0.967 411 N HN 0.560 nan 8.380 nan 0.000 0.449 412 S N 0.236 115.817 115.700 -0.198 0.000 2.453 412 S HA 0.041 4.513 4.470 0.004 0.000 0.231 412 S C 1.943 176.486 174.600 -0.094 0.000 1.005 412 S CA 0.203 58.313 58.200 -0.150 0.000 0.949 412 S CB -0.323 62.806 63.200 -0.117 0.000 0.774 412 S HN 0.203 nan 8.310 nan 0.000 0.510 413 I N 0.674 121.193 120.570 -0.087 0.000 2.226 413 I HA -0.114 4.059 4.170 0.004 0.000 0.245 413 I C 2.464 178.696 176.117 0.192 0.000 1.100 413 I CA 0.984 62.319 61.300 0.058 0.000 1.374 413 I CB -0.374 37.564 38.000 -0.104 0.000 1.057 413 I HN 0.314 nan 8.210 nan 0.000 0.413 414 L N 0.330 121.481 121.223 -0.121 0.000 2.056 414 L HA -0.165 4.177 4.340 0.004 0.000 0.207 414 L C 2.225 178.975 176.870 -0.199 0.000 1.078 414 L CA 1.785 56.336 54.840 -0.482 0.000 0.749 414 L CB -0.432 41.290 42.059 -0.562 0.000 0.901 414 L HN 0.121 nan 8.230 nan 0.000 0.433 415 L N -0.504 120.620 121.223 -0.166 0.000 2.056 415 L HA -0.181 4.161 4.340 0.004 0.000 0.207 415 L C 2.518 179.364 176.870 -0.040 0.000 1.078 415 L CA 1.771 56.526 54.840 -0.143 0.000 0.749 415 L CB -0.999 40.938 42.059 -0.203 0.000 0.901 415 L HN 0.503 nan 8.230 nan 0.000 0.433 416 E N -0.983 119.187 120.200 -0.049 0.000 2.072 416 E HA -0.216 4.137 4.350 0.004 0.000 0.191 416 E C 2.089 178.629 176.600 -0.101 0.000 0.985 416 E CA 0.984 57.325 56.400 -0.099 0.000 0.801 416 E CB 0.165 29.761 29.700 -0.173 0.000 0.750 416 E HN 0.530 nan 8.360 nan 0.000 0.452 417 H N -0.732 118.418 119.070 0.133 0.000 2.431 417 H HA 0.161 4.718 4.556 0.002 0.000 0.295 417 H C 1.071 176.484 175.328 0.143 0.000 1.038 417 H CA 1.056 57.211 56.048 0.179 0.000 1.360 417 H CB 0.532 30.489 29.762 0.325 0.000 1.433 417 H HN 0.293 nan 8.280 nan 0.000 0.536 418 G N 0.303 109.229 108.800 0.210 0.000 2.712 418 G HA2 -0.214 3.749 3.960 0.004 0.000 0.686 418 G HA3 -0.214 3.749 3.960 0.004 0.000 0.686 418 G C 0.368 175.325 174.900 0.096 0.000 1.321 418 G CA -0.131 45.047 45.100 0.130 0.000 0.813 418 G HN 0.164 nan 8.290 nan 0.000 0.599 419 L N 1.088 122.315 121.223 0.006 0.000 2.083 419 L HA -0.008 4.335 4.340 0.004 0.000 0.209 419 L C 3.245 180.138 176.870 0.039 0.000 1.083 419 L CA 3.161 57.982 54.840 -0.032 0.000 0.752 419 L CB -0.866 41.122 42.059 -0.118 0.000 0.899 419 L HN 0.858 nan 8.230 nan 0.000 0.433 420 T N -1.552 113.019 114.554 0.029 0.000 2.652 420 T HA -0.236 4.116 4.350 0.004 0.000 0.267 420 T C 1.869 176.605 174.700 0.060 0.000 1.039 420 T CA 1.246 63.364 62.100 0.030 0.000 1.153 420 T CB -0.182 68.698 68.868 0.021 0.000 0.863 420 T HN 0.282 nan 8.240 nan 0.000 0.428 421 Q N -0.058 119.801 119.800 0.099 0.000 2.084 421 Q HA -0.020 4.323 4.340 0.004 0.000 0.202 421 Q C 2.181 178.192 176.000 0.018 0.000 0.978 421 Q CA 1.286 57.138 55.803 0.082 0.000 0.844 421 Q CB -0.620 28.207 28.738 0.149 0.000 0.898 421 Q HN 0.485 nan 8.270 nan 0.000 0.426 422 F N 0.245 120.105 119.950 -0.150 0.000 2.091 422 F HA -0.232 4.297 4.527 0.002 0.000 0.299 422 F C 2.467 178.136 175.800 -0.217 0.000 1.103 422 F CA 1.004 58.825 58.000 -0.299 0.000 1.228 422 F CB -0.585 38.301 39.000 -0.189 0.000 0.984 422 F HN -0.138 nan 8.300 nan 0.000 0.477 423 V N -0.386 119.581 119.914 0.088 0.000 2.307 423 V HA -0.276 3.846 4.120 0.004 0.000 0.245 423 V C 2.148 178.278 176.094 0.059 0.000 1.045 423 V CA 2.078 64.421 62.300 0.070 0.000 1.024 423 V CB -0.643 31.189 31.823 0.015 0.000 0.651 423 V HN 0.296 nan 8.190 nan 0.000 0.449 424 E N 0.131 120.350 120.200 0.030 0.000 2.085 424 E HA -0.182 4.170 4.350 0.004 0.000 0.194 424 E C 2.405 179.018 176.600 0.021 0.000 0.994 424 E CA 1.688 58.112 56.400 0.040 0.000 0.801 424 E CB -0.188 29.529 29.700 0.029 0.000 0.743 424 E HN 0.528 nan 8.360 nan 0.000 0.453 425 S N 0.208 115.863 115.700 -0.076 0.000 2.357 425 S HA -0.063 4.409 4.470 0.004 0.000 0.221 425 S C 1.542 176.168 174.600 0.043 0.000 1.031 425 S CA 0.708 58.833 58.200 -0.124 0.000 0.982 425 S CB -0.147 62.828 63.200 -0.376 0.000 0.853 425 S HN 0.173 nan 8.310 nan 0.000 0.458 426 F N 2.268 122.237 119.950 0.032 0.000 2.502 426 F HA 0.054 4.585 4.527 0.008 0.000 0.298 426 F C 2.529 178.408 175.800 0.131 0.000 1.111 426 F CA 0.336 58.401 58.000 0.109 0.000 1.445 426 F CB -1.556 37.568 39.000 0.207 0.000 1.081 426 F HN 0.143 nan 8.300 nan 0.000 0.558 427 T N -0.781 113.939 114.554 0.277 0.000 2.904 427 T HA -0.095 4.257 4.350 0.004 0.000 0.267 427 T C 2.164 176.968 174.700 0.175 0.000 1.059 427 T CA 0.935 63.155 62.100 0.200 0.000 1.137 427 T CB -0.031 68.925 68.868 0.148 0.000 0.879 427 T HN 0.201 nan 8.240 nan 0.000 0.467 428 R N 0.553 121.145 120.500 0.153 0.000 2.173 428 R HA 0.158 4.500 4.340 0.004 0.000 0.208 428 R C 1.299 177.660 176.300 0.102 0.000 1.035 428 R CA 0.164 56.330 56.100 0.109 0.000 1.004 428 R CB 0.155 30.498 30.300 0.071 0.000 0.917 428 R HN 0.384 nan 8.270 nan 0.000 0.462 429 Q N 1.761 121.643 119.800 0.137 0.000 2.295 429 Q HA 0.163 4.505 4.340 0.004 0.000 0.259 429 Q C -0.627 175.430 176.000 0.095 0.000 0.976 429 Q CA -0.140 55.724 55.803 0.102 0.000 0.923 429 Q CB 0.839 29.654 28.738 0.128 0.000 1.185 429 Q HN 0.154 nan 8.270 nan 0.000 0.410 430 I N 3.155 123.773 120.570 0.081 0.000 2.696 430 I HA 0.280 4.452 4.170 0.004 0.000 0.284 430 I C -0.234 175.979 176.117 0.159 0.000 1.129 430 I CA 0.043 61.411 61.300 0.113 0.000 1.410 430 I CB 0.841 38.916 38.000 0.125 0.000 1.399 430 I HN 0.825 nan 8.210 nan 0.000 0.579 431 A N 5.119 128.030 122.820 0.150 0.000 2.256 431 A HA 0.736 5.059 4.320 0.004 0.000 0.318 431 A C 0.088 177.793 177.584 0.202 0.000 1.103 431 A CA -0.169 51.975 52.037 0.179 0.000 0.860 431 A CB 0.618 19.697 19.000 0.131 0.000 1.182 431 A HN 0.836 nan 8.150 nan 0.000 0.501 432 G N -0.463 108.453 108.800 0.193 0.000 2.448 432 G HA2 0.483 4.445 3.960 0.004 0.000 0.285 432 G HA3 0.483 4.445 3.960 0.004 0.000 0.285 432 G C 0.050 174.858 174.900 -0.153 0.000 1.176 432 G CA -0.636 44.418 45.100 -0.076 0.000 0.852 432 G HN 0.839 nan 8.290 nan 0.000 0.530 433 R N 1.269 121.607 120.500 -0.269 0.000 2.442 433 R HA 0.186 4.528 4.340 0.004 0.000 0.291 433 R C 0.936 177.131 176.300 -0.176 0.000 1.069 433 R CA -0.446 55.503 56.100 -0.250 0.000 1.022 433 R CB 0.797 30.944 30.300 -0.255 0.000 0.976 433 R HN 0.263 nan 8.270 nan 0.000 0.443 434 V N 4.012 123.806 119.914 -0.200 0.000 2.379 434 V HA -0.009 4.114 4.120 0.004 0.000 0.243 434 V C 1.167 177.231 176.094 -0.051 0.000 1.035 434 V CA 1.758 64.006 62.300 -0.087 0.000 1.035 434 V CB -0.455 31.316 31.823 -0.086 0.000 0.673 434 V HN 0.907 nan 8.190 nan 0.000 0.457 435 A N -0.771 122.008 122.820 -0.068 0.000 2.257 435 A HA 0.555 4.877 4.320 0.004 0.000 0.290 435 A C 1.556 179.090 177.584 -0.083 0.000 1.201 435 A CA 0.475 52.481 52.037 -0.052 0.000 0.863 435 A CB -0.147 18.838 19.000 -0.025 0.000 1.256 435 A HN 1.324 nan 8.150 nan 0.000 0.506 436 G N -2.319 106.437 108.800 -0.074 0.000 2.195 436 G HA2 0.326 4.289 3.960 0.004 0.000 0.246 436 G HA3 0.326 4.289 3.960 0.004 0.000 0.246 436 G C 1.651 176.509 174.900 -0.069 0.000 0.984 436 G CA 0.684 45.737 45.100 -0.077 0.000 0.633 436 G HN 3.045 nan 8.290 nan 0.000 0.525 437 G N -0.684 108.077 108.800 -0.065 0.000 2.733 437 G HA2 0.285 4.248 3.960 0.004 0.000 0.686 437 G HA3 0.285 4.248 3.960 0.004 0.000 0.686 437 G C 0.193 175.065 174.900 -0.047 0.000 1.373 437 G CA 0.345 45.413 45.100 -0.054 0.000 0.838 437 G HN 1.724 nan 8.290 nan 0.000 0.588 438 R N -0.649 119.833 120.500 -0.031 0.000 3.146 438 R HA -0.202 4.140 4.340 0.004 0.000 0.250 438 R C 0.441 176.729 176.300 -0.019 0.000 0.912 438 R CA 1.016 57.104 56.100 -0.020 0.000 0.633 438 R CB -1.177 29.109 30.300 -0.023 0.000 1.180 438 R HN 0.810 nan 8.270 nan 0.000 0.464 439 N N -0.715 117.983 118.700 -0.003 0.000 2.110 439 N HA 0.072 4.814 4.740 0.004 0.000 0.230 439 N C -0.956 174.597 175.510 0.071 0.000 1.353 439 N CA 0.007 53.061 53.050 0.008 0.000 0.807 439 N CB 1.197 39.653 38.487 -0.052 0.000 1.244 439 N HN 0.077 nan 8.380 nan 0.000 0.504 440 V N 3.025 122.986 119.914 0.079 0.000 2.427 440 V HA 0.352 4.474 4.120 0.004 0.000 0.268 440 V C -2.002 174.134 176.094 0.070 0.000 1.046 440 V CA -1.255 61.113 62.300 0.113 0.000 0.970 440 V CB 0.872 32.763 31.823 0.112 0.000 1.001 440 V HN 0.097 nan 8.190 nan 0.000 0.476 441 P HA 0.190 nan 4.420 nan 0.000 0.268 441 P C 0.975 178.224 177.300 -0.085 0.000 1.205 441 P CA 0.008 63.114 63.100 0.012 0.000 0.771 441 P CB 0.648 32.355 31.700 0.012 0.000 0.858 442 I N 1.614 122.132 120.570 -0.087 0.000 2.493 442 I HA -0.231 3.941 4.170 0.004 0.000 0.254 442 I C 2.148 178.167 176.117 -0.163 0.000 1.160 442 I CA 1.422 62.667 61.300 -0.093 0.000 1.445 442 I CB -0.645 37.325 38.000 -0.049 0.000 1.086 442 I HN 0.354 nan 8.210 nan 0.000 0.433 443 A N 0.736 123.366 122.820 -0.317 0.000 2.070 443 A HA -0.092 4.230 4.320 0.004 0.000 0.220 443 A C 1.908 179.296 177.584 -0.327 0.000 1.159 443 A CA 1.773 53.553 52.037 -0.428 0.000 0.656 443 A CB -0.600 17.783 19.000 -1.029 0.000 0.800 443 A HN 0.398 nan 8.150 nan 0.000 0.453 444 V N -1.927 117.813 119.914 -0.289 0.000 3.006 444 V HA 0.119 4.241 4.120 0.004 0.000 0.357 444 V C 1.429 177.410 176.094 -0.188 0.000 1.377 444 V CA 0.425 62.608 62.300 -0.194 0.000 1.198 444 V CB -0.804 30.931 31.823 -0.146 0.000 1.216 444 V HN 0.702 nan 8.190 nan 0.000 0.520 445 Q N 1.863 121.584 119.800 -0.131 0.000 2.124 445 Q HA -0.100 4.242 4.340 0.004 0.000 0.202 445 Q C 2.011 177.962 176.000 -0.081 0.000 0.977 445 Q CA 2.275 58.025 55.803 -0.089 0.000 0.850 445 Q CB -0.436 28.268 28.738 -0.056 0.000 0.901 445 Q HN 0.623 nan 8.270 nan 0.000 0.429 446 A N 1.036 123.811 122.820 -0.074 0.000 1.969 446 A HA -0.048 4.274 4.320 0.004 0.000 0.218 446 A C 2.269 179.814 177.584 -0.066 0.000 1.169 446 A CA 1.348 53.352 52.037 -0.055 0.000 0.635 446 A CB -0.454 18.523 19.000 -0.038 0.000 0.810 446 A HN 0.268 nan 8.150 nan 0.000 0.445 447 V N -0.462 119.391 119.914 -0.103 0.000 2.407 447 V HA -0.125 3.997 4.120 0.004 0.000 0.245 447 V C 2.959 178.971 176.094 -0.137 0.000 1.041 447 V CA 1.623 63.863 62.300 -0.099 0.000 1.040 447 V CB -1.245 30.518 31.823 -0.100 0.000 0.671 447 V HN 0.552 nan 8.190 nan 0.000 0.455 448 A N 0.078 122.754 122.820 -0.239 0.000 1.930 448 A HA -0.221 4.101 4.320 0.004 0.000 0.217 448 A C 2.349 179.967 177.584 0.057 0.000 1.175 448 A CA 2.045 54.069 52.037 -0.021 0.000 0.627 448 A CB -0.459 18.558 19.000 0.027 0.000 0.815 448 A HN 0.502 nan 8.150 nan 0.000 0.443 449 K N -0.185 120.215 120.400 -0.000 0.000 2.057 449 K HA -0.113 4.210 4.320 0.004 0.000 0.207 449 K C 2.152 178.730 176.600 -0.036 0.000 1.049 449 K CA 1.247 57.535 56.287 0.001 0.000 0.931 449 K CB -0.346 32.147 32.500 -0.012 0.000 0.714 449 K HN 0.354 nan 8.250 nan 0.000 0.440 450 A N 0.684 123.466 122.820 -0.063 0.000 1.940 450 A HA -0.157 4.166 4.320 0.004 0.000 0.219 450 A C 2.140 179.620 177.584 -0.173 0.000 1.176 450 A CA 2.141 54.125 52.037 -0.088 0.000 0.631 450 A CB -0.639 18.323 19.000 -0.063 0.000 0.814 450 A HN 0.388 nan 8.150 nan 0.000 0.446 451 S N -0.249 115.287 115.700 -0.274 0.000 2.399 451 S HA -0.112 4.361 4.470 0.004 0.000 0.231 451 S C 1.740 176.070 174.600 -0.450 0.000 1.022 451 S CA 1.519 59.359 58.200 -0.601 0.000 0.983 451 S CB -0.469 62.049 63.200 -1.137 0.000 0.803 451 S HN 0.581 nan 8.310 nan 0.000 0.480 452 I N 1.433 121.902 120.570 -0.169 0.000 2.277 452 I HA -0.130 4.042 4.170 0.004 0.000 0.243 452 I C 2.016 178.082 176.117 -0.084 0.000 1.094 452 I CA 0.981 62.261 61.300 -0.034 0.000 1.393 452 I CB -0.398 37.654 38.000 0.088 0.000 1.078 452 I HN 0.123 nan 8.210 nan 0.000 0.417 453 D N 0.829 121.180 120.400 -0.082 0.000 2.097 453 D HA -0.196 4.446 4.640 0.004 0.000 0.195 453 D C 2.251 178.490 176.300 -0.102 0.000 0.989 453 D CA 1.366 55.324 54.000 -0.069 0.000 0.827 453 D CB -0.298 40.473 40.800 -0.050 0.000 0.966 453 D HN 0.424 nan 8.370 nan 0.000 0.456 454 Q N 0.247 119.956 119.800 -0.152 0.000 2.167 454 Q HA -0.038 4.305 4.340 0.004 0.000 0.202 454 Q C 2.309 178.138 176.000 -0.286 0.000 0.970 454 Q CA 0.772 56.475 55.803 -0.168 0.000 0.855 454 Q CB 0.017 28.662 28.738 -0.155 0.000 0.911 454 Q HN 0.065 nan 8.270 nan 0.000 0.438 455 S N 0.663 116.101 115.700 -0.436 0.000 2.374 455 S HA -0.186 4.287 4.470 0.004 0.000 0.227 455 S C 1.807 176.207 174.600 -0.334 0.000 1.037 455 S CA 1.333 59.106 58.200 -0.712 0.000 1.024 455 S CB -0.101 62.767 63.200 -0.554 0.000 0.861 455 S HN 0.333 nan 8.310 nan 0.000 0.456 456 R N 0.732 121.146 120.500 -0.143 0.000 2.073 456 R HA 0.010 4.352 4.340 0.004 0.000 0.229 456 R C 2.362 178.658 176.300 -0.005 0.000 1.120 456 R CA 1.169 57.253 56.100 -0.026 0.000 0.967 456 R CB -0.239 30.059 30.300 -0.004 0.000 0.862 456 R HN 0.467 nan 8.270 nan 0.000 0.436 457 E N 0.590 120.774 120.200 -0.027 0.000 2.085 457 E HA -0.168 4.184 4.350 0.004 0.000 0.194 457 E C 1.638 178.262 176.600 0.040 0.000 0.994 457 E CA 1.303 57.710 56.400 0.011 0.000 0.801 457 E CB 0.004 29.709 29.700 0.008 0.000 0.743 457 E HN 0.286 nan 8.360 nan 0.000 0.453 458 M N 0.375 119.986 119.600 0.018 0.000 2.628 458 M HA 0.028 4.510 4.480 0.004 0.000 0.232 458 M C -0.371 176.051 176.300 0.205 0.000 1.128 458 M CA 0.320 55.684 55.300 0.107 0.000 1.040 458 M CB 0.412 33.086 32.600 0.124 0.000 1.608 458 M HN -0.172 nan 8.290 nan 0.000 0.507 459 K N -0.067 120.424 120.400 0.151 0.000 3.148 459 K HA -0.196 4.127 4.320 0.004 0.000 0.267 459 K C -1.219 175.539 176.600 0.263 0.000 0.996 459 K CA 0.665 57.047 56.287 0.158 0.000 0.737 459 K CB -2.512 30.045 32.500 0.095 0.000 1.308 459 K HN 0.298 nan 8.250 nan 0.000 0.470 460 Y N 1.338 121.686 120.300 0.079 0.000 2.610 460 Y HA -0.036 4.517 4.550 0.004 0.000 0.332 460 Y C 1.814 177.815 175.900 0.167 0.000 1.201 460 Y CA 0.067 58.260 58.100 0.156 0.000 1.465 460 Y CB 0.437 38.986 38.460 0.148 0.000 1.283 460 Y HN 0.164 nan 8.280 nan 0.000 0.563 461 Q N 1.166 121.127 119.800 0.268 0.000 2.471 461 Q HA 0.207 4.549 4.340 0.004 0.000 0.223 461 Q C 0.400 176.564 176.000 0.273 0.000 1.045 461 Q CA -0.313 55.565 55.803 0.125 0.000 0.956 461 Q CB 0.539 29.186 28.738 -0.153 0.000 1.249 461 Q HN 0.797 nan 8.270 nan 0.000 0.549 462 S N 0.070 115.862 115.700 0.154 0.000 2.589 462 S HA -0.034 4.438 4.470 0.004 0.000 0.265 462 S C 1.004 175.762 174.600 0.264 0.000 1.342 462 S CA -0.499 57.807 58.200 0.178 0.000 1.005 462 S CB 0.445 63.697 63.200 0.087 0.000 0.909 462 S HN 0.661 nan 8.310 nan 0.000 0.555 463 L N 1.624 122.969 121.223 0.203 0.000 2.021 463 L HA -0.165 4.178 4.340 0.004 0.000 0.215 463 L C 2.076 179.048 176.870 0.170 0.000 1.074 463 L CA 2.207 57.165 54.840 0.198 0.000 0.760 463 L CB -1.242 40.883 42.059 0.109 0.000 0.889 463 L HN 0.762 nan 8.230 nan 0.000 0.433 464 N N -0.316 118.436 118.700 0.086 0.000 2.223 464 N HA -0.158 4.585 4.740 0.004 0.000 0.185 464 N C 1.747 177.261 175.510 0.007 0.000 1.016 464 N CA 1.269 54.336 53.050 0.028 0.000 0.863 464 N CB -0.225 38.256 38.487 -0.010 0.000 0.983 464 N HN 0.483 nan 8.380 nan 0.000 0.429 465 E N -0.112 120.085 120.200 -0.004 0.000 2.072 465 E HA -0.120 4.233 4.350 0.004 0.000 0.191 465 E C 1.834 178.364 176.600 -0.117 0.000 0.985 465 E CA 0.821 57.159 56.400 -0.103 0.000 0.801 465 E CB -0.518 29.072 29.700 -0.184 0.000 0.750 465 E HN 0.541 nan 8.360 nan 0.000 0.452 466 Y N 0.973 121.307 120.300 0.058 0.000 2.293 466 Y HA -0.103 4.449 4.550 0.004 0.000 0.291 466 Y C 2.611 178.625 175.900 0.191 0.000 1.137 466 Y CA 1.134 59.323 58.100 0.149 0.000 1.202 466 Y CB -0.003 38.537 38.460 0.134 0.000 0.990 466 Y HN -0.029 nan 8.280 nan 0.000 0.537 467 R N 0.201 120.823 120.500 0.203 0.000 2.066 467 R HA -0.140 4.203 4.340 0.004 0.000 0.232 467 R C 2.151 178.490 176.300 0.065 0.000 1.131 467 R CA 1.462 57.622 56.100 0.101 0.000 0.955 467 R CB -0.189 30.090 30.300 -0.036 0.000 0.851 467 R HN 0.288 nan 8.270 nan 0.000 0.432 468 K N 0.109 120.511 120.400 0.002 0.000 2.057 468 K HA -0.191 4.131 4.320 0.004 0.000 0.207 468 K C 2.122 178.685 176.600 -0.061 0.000 1.049 468 K CA 1.347 57.604 56.287 -0.050 0.000 0.931 468 K CB -0.150 32.295 32.500 -0.091 0.000 0.714 468 K HN -0.074 nan 8.250 nan 0.000 0.440 469 R N 0.776 121.235 120.500 -0.067 0.000 2.127 469 R HA -0.118 4.225 4.340 0.004 0.000 0.238 469 R C 0.806 176.903 176.300 -0.340 0.000 1.134 469 R CA 1.519 57.502 56.100 -0.196 0.000 0.975 469 R CB -0.285 29.893 30.300 -0.203 0.000 0.865 469 R HN 0.096 nan 8.270 nan 0.000 0.447 470 F N 0.424 120.350 119.950 -0.041 0.000 2.837 470 F HA 0.316 4.845 4.527 0.004 0.000 0.298 470 F C 0.278 176.057 175.800 -0.035 0.000 1.161 470 F CA -0.143 57.829 58.000 -0.047 0.000 1.353 470 F CB 0.337 39.306 39.000 -0.051 0.000 0.951 470 F HN -0.107 nan 8.300 nan 0.000 0.508 471 S N 0.973 116.704 115.700 0.052 0.000 3.682 471 S HA -0.189 4.284 4.470 0.004 0.000 0.354 471 S C -0.209 174.411 174.600 0.034 0.000 1.034 471 S CA 0.265 58.487 58.200 0.038 0.000 1.084 471 S CB -1.973 61.261 63.200 0.058 0.000 0.903 471 S HN 0.321 nan 8.310 nan 0.000 0.470 472 L N 0.272 121.503 121.223 0.013 0.000 2.342 472 L HA 0.514 4.856 4.340 0.004 0.000 0.271 472 L C 0.482 177.301 176.870 -0.085 0.000 1.008 472 L CA -0.821 53.995 54.840 -0.039 0.000 0.818 472 L CB 1.282 43.304 42.059 -0.061 0.000 1.296 472 L HN 0.034 nan 8.230 nan 0.000 0.427 473 K N 3.580 123.912 120.400 -0.113 0.000 2.379 473 K HA 0.222 4.544 4.320 0.004 0.000 0.284 473 K C -2.223 174.248 176.600 -0.214 0.000 1.044 473 K CA -1.421 54.791 56.287 -0.126 0.000 0.974 473 K CB 0.771 33.213 32.500 -0.096 0.000 0.962 473 K HN 0.253 nan 8.250 nan 0.000 0.474 474 P HA -0.053 nan 4.420 nan 0.000 0.271 474 P C -0.943 176.259 177.300 -0.163 0.000 1.216 474 P CA 0.050 63.044 63.100 -0.176 0.000 0.776 474 P CB 0.253 31.897 31.700 -0.093 0.000 0.881 475 Y N 1.142 121.396 120.300 -0.076 0.000 2.620 475 Y HA 0.000 4.553 4.550 0.004 0.000 0.330 475 Y C 2.131 177.956 175.900 -0.125 0.000 1.186 475 Y CA 0.745 58.784 58.100 -0.103 0.000 1.467 475 Y CB -0.202 38.174 38.460 -0.141 0.000 1.262 475 Y HN 0.397 nan 8.280 nan 0.000 0.550 476 T N -2.238 112.364 114.554 0.080 0.000 3.086 476 T HA 0.258 4.611 4.350 0.004 0.000 0.250 476 T C 0.208 174.892 174.700 -0.027 0.000 1.074 476 T CA 0.347 62.451 62.100 0.007 0.000 0.988 476 T CB -0.215 68.662 68.868 0.014 0.000 0.988 476 T HN 0.513 nan 8.240 nan 0.000 0.530 477 S N -0.973 114.693 115.700 -0.058 0.000 2.587 477 S HA 0.563 5.036 4.470 0.004 0.000 0.269 477 S C -0.243 174.239 174.600 -0.195 0.000 1.154 477 S CA -0.952 57.193 58.200 -0.092 0.000 0.824 477 S CB 0.184 63.391 63.200 0.013 0.000 1.118 477 S HN -0.086 nan 8.310 nan 0.000 0.462 478 F N 1.115 121.032 119.950 -0.055 0.000 2.293 478 F HA 0.119 4.649 4.527 0.004 0.000 0.300 478 F C 2.505 178.230 175.800 -0.124 0.000 1.086 478 F CA 1.336 59.274 58.000 -0.104 0.000 1.375 478 F CB -0.310 38.651 39.000 -0.064 0.000 1.045 478 F HN 0.712 nan 8.300 nan 0.000 0.516 479 E N 0.058 120.309 120.200 0.086 0.000 2.077 479 E HA -0.248 4.105 4.350 0.004 0.000 0.193 479 E C 2.137 178.709 176.600 -0.046 0.000 0.989 479 E CA 1.224 57.636 56.400 0.019 0.000 0.800 479 E CB -0.227 29.491 29.700 0.030 0.000 0.746 479 E HN 0.482 nan 8.360 nan 0.000 0.452 480 E N 0.717 120.880 120.200 -0.061 0.000 2.085 480 E HA -0.228 4.125 4.350 0.004 0.000 0.194 480 E C 2.233 178.662 176.600 -0.285 0.000 0.994 480 E CA 0.876 57.237 56.400 -0.064 0.000 0.801 480 E CB -0.009 29.727 29.700 0.060 0.000 0.743 480 E HN 0.112 nan 8.360 nan 0.000 0.453 481 L N 0.306 121.151 121.223 -0.630 0.000 1.994 481 L HA -0.132 4.210 4.340 0.004 0.000 0.208 481 L C 2.455 179.046 176.870 -0.465 0.000 1.071 481 L CA 2.477 56.665 54.840 -1.087 0.000 0.745 481 L CB -0.953 40.557 42.059 -0.915 0.000 0.892 481 L HN 0.058 nan 8.230 nan 0.000 0.431 482 T N -1.188 113.221 114.554 -0.242 0.000 3.054 482 T HA 0.177 4.529 4.350 0.004 0.000 0.259 482 T C 1.293 175.940 174.700 -0.088 0.000 1.092 482 T CA 0.786 62.810 62.100 -0.128 0.000 1.121 482 T CB -0.492 68.338 68.868 -0.064 0.000 0.912 482 T HN 0.828 nan 8.240 nan 0.000 0.489 483 G N 1.443 110.195 108.800 -0.080 0.000 2.168 483 G HA2 -0.215 3.748 3.960 0.004 0.000 0.257 483 G HA3 -0.215 3.748 3.960 0.004 0.000 0.257 483 G C -0.046 174.836 174.900 -0.030 0.000 0.997 483 G CA 0.841 45.915 45.100 -0.043 0.000 0.708 483 G HN 0.681 nan 8.290 nan 0.000 0.520 484 E N -1.500 118.683 120.200 -0.029 0.000 2.442 484 E HA 0.547 4.899 4.350 0.004 0.000 0.271 484 E C 0.300 176.892 176.600 -0.013 0.000 1.002 484 E CA -0.568 55.819 56.400 -0.022 0.000 0.864 484 E CB 0.635 30.317 29.700 -0.030 0.000 1.573 484 E HN 0.021 nan 8.360 nan 0.000 0.456 485 K N -0.171 120.222 120.400 -0.012 0.000 2.403 485 K HA 0.129 4.451 4.320 0.004 0.000 0.199 485 K C 1.645 178.237 176.600 -0.013 0.000 1.199 485 K CA 0.273 56.556 56.287 -0.008 0.000 0.924 485 K CB 0.348 32.844 32.500 -0.006 0.000 1.137 485 K HN 0.432 nan 8.250 nan 0.000 0.510 486 E N 0.672 120.861 120.200 -0.018 0.000 2.028 486 E HA -0.116 4.237 4.350 0.004 0.000 0.190 486 E C 1.879 178.461 176.600 -0.031 0.000 0.984 486 E CA 1.133 57.519 56.400 -0.023 0.000 0.800 486 E CB 0.125 29.812 29.700 -0.022 0.000 0.758 486 E HN 0.205 nan 8.360 nan 0.000 0.448 487 M N 0.262 119.845 119.600 -0.029 0.000 2.159 487 M HA -0.119 4.363 4.480 0.004 0.000 0.263 487 M C 2.421 178.695 176.300 -0.043 0.000 1.063 487 M CA 1.286 56.566 55.300 -0.033 0.000 1.110 487 M CB -0.148 32.435 32.600 -0.028 0.000 1.374 487 M HN 0.186 nan 8.290 nan 0.000 0.411 488 A N 0.687 123.492 122.820 -0.025 0.000 1.883 488 A HA -0.109 4.214 4.320 0.004 0.000 0.217 488 A C 2.401 179.925 177.584 -0.099 0.000 1.186 488 A CA 2.083 54.116 52.037 -0.007 0.000 0.624 488 A CB -0.998 18.030 19.000 0.048 0.000 0.822 488 A HN 0.493 nan 8.150 nan 0.000 0.444 489 A N -0.466 122.312 122.820 -0.070 0.000 1.902 489 A HA -0.165 4.157 4.320 0.004 0.000 0.217 489 A C 1.961 179.470 177.584 -0.125 0.000 1.181 489 A CA 1.742 53.728 52.037 -0.084 0.000 0.623 489 A CB -0.463 18.509 19.000 -0.047 0.000 0.818 489 A HN 0.501 nan 8.150 nan 0.000 0.443 490 E N 0.132 120.269 120.200 -0.105 0.000 2.031 490 E HA -0.167 4.185 4.350 0.004 0.000 0.193 490 E C 2.089 178.599 176.600 -0.150 0.000 0.994 490 E CA 1.126 57.466 56.400 -0.099 0.000 0.800 490 E CB -0.563 29.100 29.700 -0.062 0.000 0.752 490 E HN 0.669 nan 8.360 nan 0.000 0.447 491 L N 0.788 121.888 121.223 -0.206 0.000 2.131 491 L HA -0.205 4.138 4.340 0.004 0.000 0.210 491 L C 2.571 179.009 176.870 -0.721 0.000 1.092 491 L CA 1.144 55.799 54.840 -0.309 0.000 0.759 491 L CB -0.350 41.520 42.059 -0.315 0.000 0.903 491 L HN 0.070 nan 8.230 nan 0.000 0.435 492 K N 0.653 120.546 120.400 -0.845 0.000 2.057 492 K HA -0.140 4.183 4.320 0.004 0.000 0.207 492 K C 1.981 178.416 176.600 -0.275 0.000 1.049 492 K CA 1.588 57.456 56.287 -0.699 0.000 0.931 492 K CB -0.244 32.069 32.500 -0.313 0.000 0.714 492 K HN 0.220 nan 8.250 nan 0.000 0.440 493 A N 0.077 122.782 122.820 -0.193 0.000 2.014 493 A HA 0.030 4.352 4.320 0.004 0.000 0.218 493 A C 2.048 179.570 177.584 -0.103 0.000 1.163 493 A CA 1.052 53.024 52.037 -0.108 0.000 0.652 493 A CB -0.398 18.550 19.000 -0.086 0.000 0.808 493 A HN 0.308 nan 8.150 nan 0.000 0.449 494 L N -2.883 118.263 121.223 -0.129 0.000 2.127 494 L HA -0.025 4.317 4.340 0.004 0.000 0.203 494 L C 2.177 178.903 176.870 -0.240 0.000 1.080 494 L CA 1.074 55.803 54.840 -0.185 0.000 0.768 494 L CB -0.259 41.678 42.059 -0.202 0.000 0.924 494 L HN 0.462 nan 8.230 nan 0.000 0.444 495 Y N -1.751 118.502 120.300 -0.079 0.000 2.498 495 Y HA 0.069 4.622 4.550 0.004 0.000 0.259 495 Y C 1.950 177.908 175.900 0.096 0.000 1.086 495 Y CA 0.429 58.559 58.100 0.051 0.000 1.287 495 Y CB 0.601 39.178 38.460 0.194 0.000 1.146 495 Y HN 0.050 nan 8.280 nan 0.000 0.523 496 S N -0.916 114.897 115.700 0.188 0.000 2.025 496 S HA -0.254 4.218 4.470 0.004 0.000 0.231 496 S C -0.166 174.602 174.600 0.280 0.000 1.075 496 S CA 1.789 60.090 58.200 0.168 0.000 1.586 496 S CB -1.058 62.205 63.200 0.106 0.000 2.055 496 S HN 0.547 nan 8.310 nan 0.000 0.569 497 D N -0.587 120.034 120.400 0.368 0.000 2.896 497 D HA 0.560 5.203 4.640 0.004 0.000 0.241 497 D C 0.518 176.949 176.300 0.218 0.000 1.188 497 D CA -0.545 53.619 54.000 0.273 0.000 0.879 497 D CB 1.389 42.280 40.800 0.151 0.000 1.553 497 D HN 0.033 nan 8.370 nan 0.000 0.515 498 I N 2.642 123.139 120.570 -0.122 0.000 2.335 498 I HA -0.180 3.992 4.170 0.004 0.000 0.251 498 I C 1.194 177.160 176.117 -0.251 0.000 1.129 498 I CA 1.522 62.449 61.300 -0.622 0.000 1.402 498 I CB 0.083 37.683 38.000 -0.667 0.000 1.069 498 I HN 0.374 nan 8.210 nan 0.000 0.424 499 D N -0.252 120.093 120.400 -0.091 0.000 2.392 499 D HA -0.038 4.604 4.640 0.004 0.000 0.228 499 D C 1.772 178.080 176.300 0.014 0.000 1.003 499 D CA 1.311 55.291 54.000 -0.033 0.000 0.917 499 D CB 0.120 40.911 40.800 -0.015 0.000 0.890 499 D HN 0.469 nan 8.370 nan 0.000 0.532 500 V N -2.397 117.550 119.914 0.055 0.000 3.380 500 V HA 0.288 4.411 4.120 0.004 0.000 0.307 500 V C 0.461 176.627 176.094 0.120 0.000 1.434 500 V CA -0.594 61.782 62.300 0.127 0.000 1.075 500 V CB -0.044 31.893 31.823 0.190 0.000 0.954 500 V HN -0.161 nan 8.190 nan 0.000 0.444 501 M N 2.674 122.234 119.600 -0.067 0.000 2.248 501 M HA 0.292 4.775 4.480 0.004 0.000 0.345 501 M C 0.225 176.449 176.300 -0.126 0.000 1.243 501 M CA 0.378 55.474 55.300 -0.341 0.000 1.090 501 M CB -0.228 32.196 32.600 -0.294 0.000 1.683 501 M HN 0.517 nan 8.290 nan 0.000 0.450 502 E N 3.438 123.568 120.200 -0.116 0.000 2.349 502 E HA 0.078 4.430 4.350 0.004 0.000 0.265 502 E C 0.634 177.285 176.600 0.086 0.000 1.064 502 E CA -0.532 55.924 56.400 0.095 0.000 0.886 502 E CB 0.880 30.696 29.700 0.193 0.000 1.036 502 E HN 0.776 nan 8.360 nan 0.000 0.413 503 L N 2.882 124.198 121.223 0.154 0.000 1.989 503 L HA -0.244 4.099 4.340 0.004 0.000 0.211 503 L C 2.087 179.022 176.870 0.108 0.000 1.071 503 L CA 1.909 56.819 54.840 0.116 0.000 0.749 503 L CB -0.647 41.444 42.059 0.054 0.000 0.890 503 L HN 0.694 nan 8.230 nan 0.000 0.431 504 Y N 0.880 121.192 120.300 0.020 0.000 2.114 504 Y HA -0.098 4.454 4.550 0.004 0.000 0.284 504 Y C -0.594 175.325 175.900 0.031 0.000 1.143 504 Y CA 1.713 59.816 58.100 0.006 0.000 1.135 504 Y CB -1.783 36.651 38.460 -0.044 0.000 0.980 504 Y HN 0.253 nan 8.280 nan 0.000 0.499 505 P HA -0.094 nan 4.420 nan 0.000 0.220 505 P C 1.280 178.492 177.300 -0.147 0.000 1.148 505 P CA 2.115 65.108 63.100 -0.177 0.000 0.803 505 P CB -0.287 31.427 31.700 0.023 0.000 0.782 506 A N -0.552 122.213 122.820 -0.090 0.000 1.969 506 A HA -0.109 4.213 4.320 0.004 0.000 0.218 506 A C 2.106 179.648 177.584 -0.071 0.000 1.169 506 A CA 1.165 53.159 52.037 -0.071 0.000 0.635 506 A CB -1.541 17.440 19.000 -0.032 0.000 0.810 506 A HN 0.134 nan 8.150 nan 0.000 0.445 507 L N -0.773 120.398 121.223 -0.087 0.000 2.156 507 L HA -0.068 4.275 4.340 0.004 0.000 0.208 507 L C 2.149 178.963 176.870 -0.094 0.000 1.095 507 L CA 0.710 55.508 54.840 -0.069 0.000 0.770 507 L CB -0.295 41.741 42.059 -0.040 0.000 0.914 507 L HN 0.351 nan 8.230 nan 0.000 0.439 508 L N -0.799 120.320 121.223 -0.172 0.000 2.446 508 L HA -0.006 4.336 4.340 0.004 0.000 0.219 508 L C 2.085 178.897 176.870 -0.096 0.000 1.116 508 L CA 0.285 55.041 54.840 -0.140 0.000 0.844 508 L CB -0.064 41.865 42.059 -0.217 0.000 0.970 508 L HN 0.213 nan 8.230 nan 0.000 0.457 509 V N -4.172 115.685 119.914 -0.095 0.000 3.660 509 V HA 0.130 4.252 4.120 0.004 0.000 0.276 509 V C 0.993 177.040 176.094 -0.078 0.000 1.317 509 V CA -0.237 62.018 62.300 -0.074 0.000 1.097 509 V CB -0.188 31.600 31.823 -0.059 0.000 0.863 509 V HN 0.244 nan 8.190 nan 0.000 0.438 510 E N 2.187 122.340 120.200 -0.078 0.000 2.437 510 E HA 0.026 4.379 4.350 0.004 0.000 0.263 510 E C 0.219 176.779 176.600 -0.067 0.000 1.030 510 E CA -0.231 56.120 56.400 -0.081 0.000 0.934 510 E CB 0.490 30.172 29.700 -0.029 0.000 0.943 510 E HN 0.512 nan 8.360 nan 0.000 0.444 511 K N 4.915 125.271 120.400 -0.073 0.000 2.436 511 K HA 0.092 4.414 4.320 0.004 0.000 0.282 511 K C -2.289 174.289 176.600 -0.036 0.000 1.044 511 K CA -1.310 54.946 56.287 -0.052 0.000 1.028 511 K CB 0.411 32.886 32.500 -0.042 0.000 0.919 511 K HN 0.224 nan 8.250 nan 0.000 0.474 512 P HA 0.166 nan 4.420 nan 0.000 0.274 512 P C -0.859 176.406 177.300 -0.060 0.000 1.237 512 P CA -0.517 62.546 63.100 -0.062 0.000 0.793 512 P CB 0.614 32.258 31.700 -0.095 0.000 0.977 513 R N 2.104 122.550 120.500 -0.090 0.000 2.784 513 R HA 0.169 4.511 4.340 0.004 0.000 0.266 513 R C -1.928 174.354 176.300 -0.029 0.000 1.044 513 R CA -1.058 54.984 56.100 -0.097 0.000 1.151 513 R CB -1.408 28.721 30.300 -0.284 0.000 1.037 513 R HN 0.399 nan 8.270 nan 0.000 0.478 514 P HA -0.098 nan 4.420 nan 0.000 0.256 514 P C -0.883 176.417 177.300 -0.000 0.000 1.173 514 P CA 0.806 63.930 63.100 0.040 0.000 0.768 514 P CB 0.231 31.995 31.700 0.107 0.000 0.758 515 D N 0.123 120.498 120.400 -0.042 0.000 2.811 515 D HA -0.207 4.435 4.640 0.004 0.000 0.231 515 D C 0.242 176.466 176.300 -0.125 0.000 1.157 515 D CA 1.593 55.544 54.000 -0.081 0.000 0.716 515 D CB -1.285 39.472 40.800 -0.072 0.000 1.077 515 D HN 0.462 nan 8.370 nan 0.000 0.428 516 A N -0.338 122.401 122.820 -0.134 0.000 2.299 516 A HA 0.727 5.049 4.320 0.004 0.000 0.332 516 A C 1.238 178.642 177.584 -0.300 0.000 1.131 516 A CA -0.504 51.411 52.037 -0.202 0.000 0.844 516 A CB 1.150 20.070 19.000 -0.133 0.000 1.251 516 A HN 0.134 nan 8.150 nan 0.000 0.486 517 I N -0.793 119.480 120.570 -0.495 0.000 2.500 517 I HA 0.130 4.303 4.170 0.004 0.000 0.252 517 I C -0.522 175.183 176.117 -0.688 0.000 1.142 517 I CA 0.721 61.593 61.300 -0.713 0.000 1.451 517 I CB -0.062 37.286 38.000 -1.086 0.000 1.093 517 I HN 0.506 nan 8.210 nan 0.000 0.430 518 F N -0.236 119.552 119.950 -0.270 0.000 2.575 518 F HA 0.641 5.171 4.527 0.004 0.000 0.330 518 F C 0.827 176.521 175.800 -0.177 0.000 1.056 518 F CA -1.024 56.831 58.000 -0.242 0.000 0.964 518 F CB 0.456 39.302 39.000 -0.256 0.000 1.258 518 F HN -0.232 nan 8.300 nan 0.000 0.484 519 G N -0.525 108.329 108.800 0.091 0.000 2.557 519 G HA2 0.279 4.241 3.960 0.004 0.000 0.302 519 G HA3 0.279 4.241 3.960 0.004 0.000 0.302 519 G C 0.540 175.449 174.900 0.015 0.000 1.311 519 G CA -0.359 44.753 45.100 0.019 0.000 1.030 519 G HN 0.707 nan 8.290 nan 0.000 0.509 520 E N -1.027 119.182 120.200 0.014 0.000 2.033 520 E HA -0.195 4.157 4.350 0.004 0.000 0.199 520 E C 2.446 179.045 176.600 -0.001 0.000 1.011 520 E CA 2.094 58.497 56.400 0.005 0.000 0.815 520 E CB -0.304 29.410 29.700 0.022 0.000 0.755 520 E HN 0.455 nan 8.360 nan 0.000 0.451 521 T N 1.091 115.656 114.554 0.018 0.000 2.699 521 T HA -0.253 4.099 4.350 0.004 0.000 0.268 521 T C 1.772 176.430 174.700 -0.070 0.000 1.036 521 T CA 1.823 63.916 62.100 -0.013 0.000 1.147 521 T CB -0.325 68.569 68.868 0.044 0.000 0.862 521 T HN 0.210 nan 8.240 nan 0.000 0.446 522 M N 1.162 120.714 119.600 -0.080 0.000 2.108 522 M HA -0.079 4.404 4.480 0.004 0.000 0.261 522 M C 2.064 178.257 176.300 -0.177 0.000 1.066 522 M CA 1.498 56.692 55.300 -0.177 0.000 1.107 522 M CB -0.518 31.870 32.600 -0.353 0.000 1.356 522 M HN 0.095 nan 8.290 nan 0.000 0.406 523 V N -0.127 119.725 119.914 -0.103 0.000 2.323 523 V HA -0.148 3.974 4.120 0.004 0.000 0.244 523 V C 2.266 178.346 176.094 -0.024 0.000 1.041 523 V CA 1.627 63.911 62.300 -0.027 0.000 1.025 523 V CB -0.922 30.933 31.823 0.055 0.000 0.656 523 V HN 0.396 nan 8.190 nan 0.000 0.451 524 E N -0.151 120.023 120.200 -0.044 0.000 2.347 524 E HA -0.071 4.281 4.350 0.004 0.000 0.196 524 E C 1.878 178.351 176.600 -0.211 0.000 1.008 524 E CA 0.758 57.129 56.400 -0.049 0.000 0.852 524 E CB 0.070 29.768 29.700 -0.003 0.000 0.783 524 E HN 0.413 nan 8.360 nan 0.000 0.505 525 L N -0.768 120.240 121.223 -0.358 0.000 2.269 525 L HA 0.157 4.499 4.340 0.004 0.000 0.200 525 L C 2.303 178.936 176.870 -0.394 0.000 1.069 525 L CA 1.281 55.666 54.840 -0.758 0.000 0.804 525 L CB -0.841 40.825 42.059 -0.655 0.000 0.987 525 L HN 0.092 nan 8.230 nan 0.000 0.468 526 G N -0.630 108.136 108.800 -0.057 0.000 2.421 526 G HA2 -0.236 3.726 3.960 0.004 0.000 0.216 526 G HA3 -0.236 3.726 3.960 0.004 0.000 0.216 526 G C 1.694 176.675 174.900 0.134 0.000 1.171 526 G CA 0.897 46.120 45.100 0.205 0.000 0.775 526 G HN 0.436 nan 8.290 nan 0.000 0.543 527 A N 1.640 124.495 122.820 0.058 0.000 1.877 527 A HA 0.054 4.377 4.320 0.004 0.000 0.216 527 A C 0.796 178.390 177.584 0.016 0.000 1.186 527 A CA 2.045 54.132 52.037 0.082 0.000 0.620 527 A CB -1.185 17.871 19.000 0.094 0.000 0.822 527 A HN 0.385 nan 8.150 nan 0.000 0.443 528 P HA -0.130 nan 4.420 nan 0.000 0.214 528 P C 1.090 178.296 177.300 -0.156 0.000 1.163 528 P CA 1.062 64.093 63.100 -0.114 0.000 0.883 528 P CB -0.228 31.377 31.700 -0.157 0.000 0.788 529 F N -0.124 119.675 119.950 -0.252 0.000 2.120 529 F HA -0.175 4.355 4.527 0.004 0.000 0.300 529 F C 2.755 178.146 175.800 -0.681 0.000 1.095 529 F CA 1.620 59.233 58.000 -0.644 0.000 1.249 529 F CB -1.717 36.466 39.000 -1.362 0.000 0.995 529 F HN -0.047 nan 8.300 nan 0.000 0.480 530 S N 0.191 115.751 115.700 -0.234 0.000 2.353 530 S HA -0.168 4.304 4.470 0.004 0.000 0.222 530 S C 2.155 176.826 174.600 0.120 0.000 1.035 530 S CA 1.371 59.636 58.200 0.108 0.000 1.025 530 S CB -0.503 62.904 63.200 0.345 0.000 0.902 530 S HN 0.333 nan 8.310 nan 0.000 0.440 531 L N 0.778 122.064 121.223 0.104 0.000 2.109 531 L HA -0.011 4.332 4.340 0.004 0.000 0.207 531 L C 2.886 179.854 176.870 0.163 0.000 1.086 531 L CA 0.948 55.869 54.840 0.134 0.000 0.760 531 L CB -0.441 41.692 42.059 0.124 0.000 0.910 531 L HN 0.195 nan 8.230 nan 0.000 0.437 532 K N 0.513 120.991 120.400 0.130 0.000 2.044 532 K HA -0.148 4.175 4.320 0.004 0.000 0.210 532 K C 2.048 178.717 176.600 0.115 0.000 1.049 532 K CA 1.679 58.050 56.287 0.140 0.000 0.927 532 K CB -0.872 31.647 32.500 0.032 0.000 0.713 532 K HN 0.388 nan 8.250 nan 0.000 0.443 533 G N 0.623 109.442 108.800 0.031 0.000 2.443 533 G HA2 -0.164 3.799 3.960 0.004 0.000 0.219 533 G HA3 -0.164 3.799 3.960 0.004 0.000 0.219 533 G C 1.701 176.636 174.900 0.059 0.000 1.131 533 G CA 0.406 45.491 45.100 -0.025 0.000 0.775 533 G HN 0.180 nan 8.290 nan 0.000 0.547 534 L N -0.296 121.001 121.223 0.123 0.000 2.084 534 L HA 0.104 4.446 4.340 0.004 0.000 0.202 534 L C 2.863 179.839 176.870 0.177 0.000 1.074 534 L CA 0.554 55.477 54.840 0.137 0.000 0.757 534 L CB -0.213 41.922 42.059 0.126 0.000 0.918 534 L HN 0.091 nan 8.230 nan 0.000 0.444 535 M N -0.593 119.146 119.600 0.232 0.000 2.388 535 M HA 0.081 4.564 4.480 0.004 0.000 0.265 535 M C 2.167 178.784 176.300 0.529 0.000 1.088 535 M CA 1.012 56.475 55.300 0.272 0.000 1.134 535 M CB -1.485 31.121 32.600 0.009 0.000 1.384 535 M HN 0.230 nan 8.290 nan 0.000 0.447 536 G N 0.794 109.903 108.800 0.515 0.000 2.776 536 G HA2 -0.135 3.827 3.960 0.004 0.000 0.209 536 G HA3 -0.135 3.827 3.960 0.004 0.000 0.209 536 G C 0.802 175.905 174.900 0.338 0.000 1.145 536 G CA -0.110 45.237 45.100 0.413 0.000 0.791 536 G HN 0.421 nan 8.290 nan 0.000 0.530 537 N N 1.016 119.889 118.700 0.287 0.000 2.454 537 N HA 0.039 4.782 4.740 0.004 0.000 0.254 537 N C -1.026 174.577 175.510 0.156 0.000 1.228 537 N CA -1.204 51.956 53.050 0.184 0.000 0.900 537 N CB 1.913 40.503 38.487 0.172 0.000 1.089 537 N HN -0.074 nan 8.380 nan 0.000 0.449 538 P HA -0.155 nan 4.420 nan 0.000 0.218 538 P C 1.465 178.530 177.300 -0.391 0.000 1.148 538 P CA 1.270 64.184 63.100 -0.310 0.000 0.822 538 P CB -0.165 31.193 31.700 -0.570 0.000 0.784 539 I N -3.357 117.159 120.570 -0.091 0.000 2.916 539 I HA -0.088 4.084 4.170 0.004 0.000 0.267 539 I C 1.551 177.990 176.117 0.535 0.000 1.263 539 I CA 1.298 62.783 61.300 0.308 0.000 1.471 539 I CB -1.069 37.271 38.000 0.567 0.000 1.089 539 I HN -0.172 nan 8.210 nan 0.000 0.468 540 C N 1.114 120.596 119.300 0.302 0.000 2.673 540 C HA 0.218 4.680 4.460 0.004 0.000 0.264 540 C C 1.726 176.790 174.990 0.124 0.000 1.304 540 C CA 0.211 59.372 59.018 0.239 0.000 1.727 540 C CB -1.578 26.336 27.740 0.290 0.000 1.932 540 C HN 0.708 nan 8.230 nan 0.000 0.563 541 S N 2.436 117.995 115.700 -0.235 0.000 2.576 541 S HA 0.175 4.647 4.470 0.004 0.000 0.276 541 S C -1.279 173.274 174.600 -0.077 0.000 1.339 541 S CA -0.593 57.199 58.200 -0.679 0.000 1.039 541 S CB 0.688 63.466 63.200 -0.704 0.000 0.902 541 S HN 0.172 nan 8.310 nan 0.000 0.516 542 P HA -0.164 nan 4.420 nan 0.000 0.216 542 P C 1.319 178.547 177.300 -0.120 0.000 1.150 542 P CA 1.271 64.047 63.100 -0.539 0.000 0.843 542 P CB 0.067 31.259 31.700 -0.845 0.000 0.787 543 Q N -1.619 118.144 119.800 -0.061 0.000 2.369 543 Q HA -0.097 4.246 4.340 0.004 0.000 0.206 543 Q C 1.739 177.706 176.000 -0.056 0.000 0.963 543 Q CA 1.343 57.120 55.803 -0.044 0.000 0.894 543 Q CB -0.707 28.010 28.738 -0.034 0.000 0.965 543 Q HN 0.347 nan 8.270 nan 0.000 0.475 544 Y N -2.566 117.730 120.300 -0.006 0.000 2.441 544 Y HA 0.033 4.585 4.550 0.004 0.000 0.288 544 Y C 0.623 176.607 175.900 0.141 0.000 1.118 544 Y CA -0.151 57.963 58.100 0.024 0.000 1.215 544 Y CB 0.213 38.724 38.460 0.085 0.000 1.118 544 Y HN 0.169 nan 8.280 nan 0.000 0.547 545 W N 5.180 126.637 121.300 0.262 0.000 1.564 545 W HA 0.187 4.849 4.660 0.004 0.000 0.480 545 W C -0.642 176.010 176.519 0.222 0.000 0.699 545 W CA 0.257 57.832 57.345 0.384 0.000 1.985 545 W CB -0.558 29.231 29.460 0.548 0.000 1.738 545 W HN 0.079 nan 8.180 nan 0.000 0.218 546 K N 2.849 123.066 120.400 -0.305 0.000 2.551 546 K HA 0.368 4.691 4.320 0.004 0.000 0.269 546 K C -2.414 173.686 176.600 -0.834 0.000 0.949 546 K CA -1.365 54.620 56.287 -0.505 0.000 0.849 546 K CB 1.757 34.127 32.500 -0.216 0.000 1.411 546 K HN -0.257 nan 8.250 nan 0.000 0.432 547 P HA -0.221 nan 4.420 nan 0.000 0.220 547 P C 1.214 178.354 177.300 -0.267 0.000 1.148 547 P CA 1.535 64.257 63.100 -0.631 0.000 0.803 547 P CB 0.065 31.635 31.700 -0.217 0.000 0.782 548 S N -1.042 114.519 115.700 -0.232 0.000 2.419 548 S HA -0.115 4.358 4.470 0.004 0.000 0.233 548 S C 1.903 176.373 174.600 -0.217 0.000 1.016 548 S CA 1.662 59.778 58.200 -0.140 0.000 0.974 548 S CB -1.974 61.156 63.200 -0.117 0.000 0.786 548 S HN 0.111 nan 8.310 nan 0.000 0.492 549 T N 1.451 115.738 114.554 -0.445 0.000 2.803 549 T HA 0.035 4.388 4.350 0.004 0.000 0.269 549 T C 0.443 174.737 174.700 -0.676 0.000 1.052 549 T CA 1.197 62.880 62.100 -0.694 0.000 1.136 549 T CB -0.437 67.772 68.868 -1.097 0.000 0.864 549 T HN 0.594 nan 8.240 nan 0.000 0.467 550 F N 0.069 119.989 119.950 -0.051 0.000 2.708 550 F HA 0.506 5.036 4.527 0.004 0.000 0.300 550 F C 1.562 177.444 175.800 0.136 0.000 1.118 550 F CA -0.651 57.384 58.000 0.059 0.000 1.307 550 F CB -0.007 39.036 39.000 0.072 0.000 0.986 550 F HN 0.174 nan 8.300 nan 0.000 0.522 551 G N -0.008 108.956 108.800 0.274 0.000 2.132 551 G HA2 0.163 4.125 3.960 0.004 0.000 0.234 551 G HA3 0.163 4.125 3.960 0.004 0.000 0.234 551 G C 0.614 175.685 174.900 0.285 0.000 0.989 551 G CA -0.000 45.300 45.100 0.333 0.000 0.676 551 G HN 1.235 nan 8.290 nan 0.000 0.522 552 G N -1.251 107.656 108.800 0.180 0.000 2.483 552 G HA2 0.183 4.146 3.960 0.004 0.000 0.521 552 G HA3 0.183 4.146 3.960 0.004 0.000 0.521 552 G C 0.441 175.421 174.900 0.134 0.000 1.278 552 G CA 0.530 45.703 45.100 0.122 0.000 0.965 552 G HN 0.539 nan 8.290 nan 0.000 0.504 553 E N -0.559 119.708 120.200 0.112 0.000 2.153 553 E HA -0.099 4.253 4.350 0.004 0.000 0.194 553 E C 2.847 179.535 176.600 0.146 0.000 0.988 553 E CA 1.564 58.057 56.400 0.155 0.000 0.811 553 E CB -0.275 29.485 29.700 0.100 0.000 0.746 553 E HN 0.419 nan 8.360 nan 0.000 0.466 554 V N 1.022 120.990 119.914 0.091 0.000 2.295 554 V HA -0.212 3.911 4.120 0.004 0.000 0.246 554 V C 2.457 178.615 176.094 0.106 0.000 1.049 554 V CA 2.116 64.456 62.300 0.066 0.000 1.024 554 V CB -1.093 30.737 31.823 0.011 0.000 0.648 554 V HN 0.341 nan 8.190 nan 0.000 0.447 555 G N -1.197 107.699 108.800 0.161 0.000 2.418 555 G HA2 -0.268 3.694 3.960 0.004 0.000 0.217 555 G HA3 -0.268 3.694 3.960 0.004 0.000 0.217 555 G C 1.542 176.577 174.900 0.225 0.000 1.158 555 G CA 0.707 45.932 45.100 0.208 0.000 0.771 555 G HN 0.400 nan 8.290 nan 0.000 0.545 556 F N 1.908 121.877 119.950 0.031 0.000 2.134 556 F HA -0.056 4.474 4.527 0.004 0.000 0.299 556 F C 2.843 178.587 175.800 -0.094 0.000 1.097 556 F CA 1.484 59.419 58.000 -0.110 0.000 1.264 556 F CB -0.679 38.279 39.000 -0.069 0.000 1.001 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 K N 0.792 121.234 120.400 0.069 0.000 2.063 557 K HA -0.176 4.146 4.320 0.004 0.000 0.208 557 K C 2.275 178.868 176.600 -0.013 0.000 1.048 557 K CA 1.626 57.903 56.287 -0.017 0.000 0.928 557 K CB -1.031 31.479 32.500 0.017 0.000 0.713 557 K HN 0.520 nan 8.250 nan 0.000 0.442 558 I N 0.255 120.842 120.570 0.028 0.000 2.163 558 I HA -0.252 3.920 4.170 0.004 0.000 0.243 558 I C 2.463 178.606 176.117 0.043 0.000 1.085 558 I CA 2.001 63.325 61.300 0.040 0.000 1.347 558 I CB -0.374 37.667 38.000 0.068 0.000 1.044 558 I HN 0.234 nan 8.210 nan 0.000 0.408 559 I N 0.725 121.309 120.570 0.023 0.000 2.113 559 I HA -0.292 3.880 4.170 0.004 0.000 0.238 559 I C 1.911 178.082 176.117 0.090 0.000 1.070 559 I CA 1.439 62.782 61.300 0.071 0.000 1.332 559 I CB -0.559 37.461 38.000 0.033 0.000 1.044 559 I HN 0.277 nan 8.210 nan 0.000 0.402 560 N N 0.284 118.967 118.700 -0.029 0.000 2.550 560 N HA -0.081 4.661 4.740 0.004 0.000 0.186 560 N C 1.374 176.888 175.510 0.007 0.000 1.110 560 N CA 1.507 54.541 53.050 -0.026 0.000 0.912 560 N CB -0.162 38.204 38.487 -0.201 0.000 0.968 560 N HN 0.518 nan 8.380 nan 0.000 0.448 561 T N -3.888 110.674 114.554 0.013 0.000 3.043 561 T HA 0.458 4.810 4.350 0.004 0.000 0.272 561 T C 0.558 175.273 174.700 0.025 0.000 0.990 561 T CA -0.494 61.614 62.100 0.013 0.000 0.897 561 T CB 0.270 69.136 68.868 -0.003 0.000 1.111 561 T HN 0.075 nan 8.240 nan 0.000 0.529 562 A N 2.003 124.854 122.820 0.053 0.000 2.498 562 A HA 0.627 4.949 4.320 0.004 0.000 0.239 562 A C 0.632 178.240 177.584 0.040 0.000 1.068 562 A CA 0.022 52.093 52.037 0.057 0.000 0.766 562 A CB -0.044 19.023 19.000 0.112 0.000 1.003 562 A HN 1.114 nan 8.150 nan 0.000 0.497 563 S N 1.165 116.864 115.700 -0.002 0.000 2.596 563 S HA 0.450 4.923 4.470 0.004 0.000 0.270 563 S C 0.387 174.925 174.600 -0.103 0.000 1.155 563 S CA -0.161 58.012 58.200 -0.045 0.000 0.827 563 S CB 0.578 63.736 63.200 -0.069 0.000 1.130 563 S HN 1.017 nan 8.310 nan 0.000 0.467 564 I N 1.192 121.648 120.570 -0.190 0.000 2.361 564 I HA -0.079 4.093 4.170 0.004 0.000 0.251 564 I C 2.423 178.372 176.117 -0.280 0.000 1.133 564 I CA 1.944 63.073 61.300 -0.285 0.000 1.413 564 I CB -0.494 37.117 38.000 -0.649 0.000 1.073 564 I HN 0.904 nan 8.210 nan 0.000 0.424 565 Q N 0.392 120.025 119.800 -0.278 0.000 2.049 565 Q HA -0.161 4.182 4.340 0.004 0.000 0.198 565 Q C 2.424 178.322 176.000 -0.171 0.000 0.971 565 Q CA 2.411 58.061 55.803 -0.255 0.000 0.833 565 Q CB -0.516 28.076 28.738 -0.243 0.000 0.896 565 Q HN 0.648 nan 8.270 nan 0.000 0.434 566 S N -0.342 115.280 115.700 -0.130 0.000 2.402 566 S HA -0.128 4.345 4.470 0.004 0.000 0.229 566 S C 1.881 176.411 174.600 -0.117 0.000 1.021 566 S CA 0.993 59.134 58.200 -0.097 0.000 0.974 566 S CB -0.590 62.572 63.200 -0.063 0.000 0.800 566 S HN 0.406 nan 8.310 nan 0.000 0.484 567 L N 0.837 121.970 121.223 -0.149 0.000 2.017 567 L HA 0.090 4.433 4.340 0.004 0.000 0.208 567 L C 2.133 178.874 176.870 -0.215 0.000 1.073 567 L CA 1.576 56.287 54.840 -0.215 0.000 0.745 567 L CB -0.632 41.250 42.059 -0.294 0.000 0.894 567 L HN 0.259 nan 8.230 nan 0.000 0.432 568 I N -1.371 119.086 120.570 -0.188 0.000 2.286 568 I HA -0.244 3.929 4.170 0.004 0.000 0.245 568 I C 2.692 178.728 176.117 -0.135 0.000 1.104 568 I CA 1.256 62.455 61.300 -0.169 0.000 1.397 568 I CB -0.775 37.129 38.000 -0.160 0.000 1.072 568 I HN 0.462 nan 8.210 nan 0.000 0.417 569 c N 1.026 119.555 118.600 -0.119 0.000 2.413 569 c HA -0.181 4.392 4.570 0.004 0.000 0.276 569 c C 2.718 176.758 174.090 -0.083 0.000 1.248 569 c CA 1.275 57.552 56.329 -0.086 0.000 1.742 569 c CB -1.288 41.178 42.510 -0.072 0.000 2.017 569 c HN 0.521 nan 8.230 nan 0.000 0.481 570 N N 0.972 119.616 118.700 -0.094 0.000 2.396 570 N HA -0.017 4.726 4.740 0.004 0.000 0.180 570 N C 1.044 176.494 175.510 -0.101 0.000 1.028 570 N CA 0.998 53.996 53.050 -0.086 0.000 0.893 570 N CB -0.403 38.036 38.487 -0.080 0.000 0.967 570 N HN 0.671 nan 8.380 nan 0.000 0.440 571 N N -0.448 118.176 118.700 -0.127 0.000 2.166 571 N HA 0.099 4.841 4.740 0.004 0.000 0.213 571 N C -0.636 174.782 175.510 -0.153 0.000 1.222 571 N CA 0.116 53.078 53.050 -0.147 0.000 0.900 571 N CB 1.970 40.350 38.487 -0.178 0.000 1.055 571 N HN -0.104 nan 8.380 nan 0.000 0.515 572 V N 1.709 121.545 119.914 -0.131 0.000 2.448 572 V HA 0.228 4.350 4.120 0.004 0.000 0.295 572 V C 0.378 176.420 176.094 -0.086 0.000 1.025 572 V CA -1.142 61.087 62.300 -0.118 0.000 0.859 572 V CB 2.355 34.114 31.823 -0.107 0.000 0.988 572 V HN -0.027 nan 8.190 nan 0.000 0.431 573 K N 3.032 123.383 120.400 -0.081 0.000 2.511 573 K HA 0.272 4.594 4.320 0.004 0.000 0.280 573 K C 1.214 177.792 176.600 -0.036 0.000 1.008 573 K CA 1.444 57.697 56.287 -0.057 0.000 1.050 573 K CB 0.052 32.522 32.500 -0.050 0.000 0.889 573 K HN 1.217 nan 8.250 nan 0.000 0.484 574 G N 2.980 111.763 108.800 -0.028 0.000 2.148 574 G HA2 -0.352 3.610 3.960 0.004 0.000 0.254 574 G HA3 -0.352 3.610 3.960 0.004 0.000 0.254 574 G C 0.396 175.289 174.900 -0.012 0.000 0.981 574 G CA -0.079 45.012 45.100 -0.015 0.000 0.670 574 G HN 1.229 nan 8.290 nan 0.000 0.528 575 c N 0.281 118.866 118.600 -0.025 0.000 2.656 575 c HA -0.044 4.529 4.570 0.004 0.000 0.226 575 c C -0.447 173.642 174.090 -0.001 0.000 1.302 575 c CA -0.276 56.038 56.329 -0.025 0.000 2.531 575 c CB -1.652 40.844 42.510 -0.023 0.000 1.576 575 c HN 0.629 nan 8.230 nan 0.000 0.379 576 P HA 0.265 nan 4.420 nan 0.000 0.272 576 P C -0.095 177.237 177.300 0.053 0.000 1.223 576 P CA -0.167 62.955 63.100 0.037 0.000 0.784 576 P CB 0.302 32.016 31.700 0.022 0.000 0.923 577 F N 1.820 121.751 119.950 -0.031 0.000 2.518 577 F HA 0.389 4.918 4.527 0.003 0.000 0.359 577 F C 0.365 176.142 175.800 -0.038 0.000 1.118 577 F CA 1.021 58.998 58.000 -0.038 0.000 1.287 577 F CB 0.540 39.521 39.000 -0.030 0.000 1.132 577 F HN 0.204 nan 8.300 nan 0.000 0.587 578 T N 3.826 117.775 114.554 -1.009 0.000 2.889 578 T HA 0.632 4.985 4.350 0.004 0.000 0.315 578 T C -1.181 172.935 174.700 -0.974 0.000 1.291 578 T CA -0.011 61.635 62.100 -0.757 0.000 1.028 578 T CB 1.024 69.687 68.868 -0.342 0.000 1.235 578 T HN 1.065 nan 8.240 nan 0.000 0.491 579 S N 1.529 116.875 115.700 -0.589 0.000 2.727 579 S HA 0.626 5.099 4.470 0.004 0.000 0.278 579 S C -0.766 173.646 174.600 -0.313 0.000 1.186 579 S CA -0.650 57.242 58.200 -0.512 0.000 0.836 579 S CB 0.521 63.533 63.200 -0.314 0.000 1.186 579 S HN 0.406 nan 8.310 nan 0.000 0.499 580 F N 2.370 122.198 119.950 -0.204 0.000 2.765 580 F HA 0.386 4.915 4.527 0.004 0.000 0.302 580 F C 1.023 176.503 175.800 -0.532 0.000 1.111 580 F CA -0.561 57.261 58.000 -0.296 0.000 1.359 580 F CB -0.341 38.441 39.000 -0.364 0.000 1.097 580 F HN 0.723 nan 8.300 nan 0.000 0.577 581 N N -0.111 118.498 118.700 -0.152 0.000 2.262 581 N HA 0.399 5.141 4.740 0.004 0.000 0.295 581 N C -0.396 175.148 175.510 0.057 0.000 1.161 581 N CA -0.555 52.467 53.050 -0.046 0.000 0.767 581 N CB 2.281 40.796 38.487 0.047 0.000 1.499 581 N HN -0.103 nan 8.380 nan 0.000 0.476 582 V N 0.000 119.955 119.914 0.068 0.000 2.409 582 V HA 0.000 4.122 4.120 0.004 0.000 0.244 582 V CA 0.000 62.351 62.300 0.085 0.000 1.235 582 V CB 0.000 31.863 31.823 0.067 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556