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 3hs5_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 DATA SEQUENCE Q 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 29.817 29.762 0.092 0.000 1.292 34 H N 2.645 121.887 119.070 0.286 0.000 3.125 34 H HA 0.023 4.580 4.556 0.001 0.000 0.310 34 H C -1.557 173.923 175.328 0.254 0.000 0.980 34 H CA -0.570 55.596 56.048 0.197 0.000 1.422 34 H CB 1.089 30.930 29.762 0.132 0.000 1.432 34 H HN 0.570 nan 8.280 nan 0.000 0.577 35 P HA -0.030 nan 4.420 nan 0.000 0.237 35 P C 0.942 178.368 177.300 0.210 0.000 1.178 35 P CA 0.528 63.730 63.100 0.171 0.000 0.766 35 P CB 0.019 31.784 31.700 0.109 0.000 0.876 36 c N -1.485 117.341 118.600 0.376 0.000 2.697 36 c HA 0.096 4.667 4.570 0.001 0.000 0.267 36 c C 2.721 176.830 174.090 0.031 0.000 1.278 36 c CA -0.196 56.210 56.329 0.128 0.000 1.708 36 c CB -2.182 40.429 42.510 0.168 0.000 1.860 36 c HN 0.330 nan 8.230 nan 0.000 0.589 37 c N 1.684 120.358 118.600 0.124 0.000 2.396 37 c HA -0.151 4.419 4.570 0.001 0.000 0.277 37 c C 2.964 177.021 174.090 -0.054 0.000 1.231 37 c CA 2.250 58.584 56.329 0.009 0.000 1.775 37 c CB -1.332 41.156 42.510 -0.037 0.000 2.036 37 c HN 0.815 nan 8.230 nan 0.000 0.484 38 S N 0.391 116.062 115.700 -0.047 0.000 2.603 38 S HA -0.052 4.419 4.470 0.001 0.000 0.229 38 S C 0.417 174.950 174.600 -0.112 0.000 0.972 38 S CA 0.633 58.791 58.200 -0.070 0.000 0.935 38 S CB -0.690 62.483 63.200 -0.046 0.000 0.769 38 S HN 0.689 nan 8.310 nan 0.000 0.536 39 N N 1.578 120.192 118.700 -0.143 0.000 2.696 39 N HA -0.089 4.652 4.740 0.001 0.000 0.256 39 N C -1.953 173.440 175.510 -0.195 0.000 1.031 39 N CA 1.015 53.963 53.050 -0.170 0.000 0.730 39 N CB -1.365 37.033 38.487 -0.149 0.000 0.894 39 N HN 0.469 nan 8.380 nan 0.000 0.544 40 P HA -0.024 nan 4.420 nan 0.000 0.221 40 P C 0.261 177.453 177.300 -0.180 0.000 1.150 40 P CA 0.686 63.610 63.100 -0.294 0.000 0.800 40 P CB 0.183 31.466 31.700 -0.695 0.000 0.787 41 c N 2.561 121.058 118.600 -0.172 0.000 2.499 41 c HA 0.354 4.925 4.570 0.001 0.000 0.386 41 c C 0.760 174.783 174.090 -0.112 0.000 1.293 41 c CA -0.600 55.677 56.329 -0.087 0.000 1.884 41 c CB -0.471 42.012 42.510 -0.045 0.000 2.509 41 c HN 0.262 nan 8.230 nan 0.000 0.566 42 Q N 1.668 121.392 119.800 -0.126 0.000 2.194 42 Q HA 0.345 4.686 4.340 0.001 0.000 0.245 42 Q C 0.332 176.192 176.000 -0.234 0.000 0.993 42 Q CA -0.482 55.206 55.803 -0.191 0.000 0.930 42 Q CB 0.462 29.060 28.738 -0.233 0.000 1.238 42 Q HN 0.749 nan 8.270 nan 0.000 0.486 43 N N 1.237 119.758 118.700 -0.297 0.000 2.721 43 N HA -0.224 4.517 4.740 0.001 0.000 0.249 43 N C -0.642 174.791 175.510 -0.128 0.000 1.072 43 N CA 0.936 53.792 53.050 -0.323 0.000 0.710 43 N CB -0.433 37.570 38.487 -0.807 0.000 0.993 43 N HN 0.652 nan 8.380 nan 0.000 0.547 44 R N -4.320 116.117 120.500 -0.105 0.000 3.963 44 R HA -0.142 4.199 4.340 0.001 0.000 0.394 44 R C 0.891 177.184 176.300 -0.012 0.000 1.131 44 R CA 1.207 57.275 56.100 -0.053 0.000 1.059 44 R CB -2.398 27.887 30.300 -0.026 0.000 1.614 44 R HN 0.461 nan 8.270 nan 0.000 0.546 45 G N 1.117 109.905 108.800 -0.019 0.000 2.554 45 G HA2 0.267 4.228 3.960 0.001 0.000 0.238 45 G HA3 0.267 4.228 3.960 0.001 0.000 0.238 45 G C -0.100 174.811 174.900 0.019 0.000 1.259 45 G CA -0.304 44.807 45.100 0.018 0.000 0.843 45 G HN 0.222 nan 8.290 nan 0.000 0.582 46 E N -0.177 120.055 120.200 0.053 0.000 2.171 46 E HA 0.302 4.653 4.350 0.001 0.000 0.271 46 E C -0.791 175.852 176.600 0.071 0.000 0.916 46 E CA -0.643 55.797 56.400 0.066 0.000 0.774 46 E CB 2.044 31.812 29.700 0.114 0.000 1.128 46 E HN 0.386 nan 8.360 nan 0.000 0.403 47 c N 4.483 123.109 118.600 0.044 0.000 2.388 47 c HA 0.612 5.182 4.570 0.001 0.000 0.362 47 c C -0.267 173.897 174.090 0.122 0.000 1.266 47 c CA -0.323 56.048 56.329 0.069 0.000 2.028 47 c CB -0.403 42.097 42.510 -0.017 0.000 2.440 47 c HN 0.824 nan 8.230 nan 0.000 0.547 48 M N 5.518 125.215 119.600 0.162 0.000 2.324 48 M HA 0.413 4.894 4.480 0.001 0.000 0.288 48 M C -0.064 176.321 176.300 0.142 0.000 1.097 48 M CA -0.086 55.304 55.300 0.149 0.000 0.928 48 M CB 2.066 34.728 32.600 0.103 0.000 1.648 48 M HN 0.796 nan 8.290 nan 0.000 0.460 49 S N 2.181 117.929 115.700 0.080 0.000 2.576 49 S HA 0.380 4.850 4.470 0.001 0.000 0.276 49 S C 0.567 175.135 174.600 -0.054 0.000 1.339 49 S CA 0.251 58.427 58.200 -0.041 0.000 1.039 49 S CB 0.741 63.775 63.200 -0.276 0.000 0.902 49 S HN 0.808 nan 8.310 nan 0.000 0.516 50 T N -1.475 113.040 114.554 -0.065 0.000 3.111 50 T HA 0.609 4.960 4.350 0.001 0.000 0.284 50 T C 0.609 175.243 174.700 -0.111 0.000 0.983 50 T CA 0.025 62.079 62.100 -0.077 0.000 0.900 50 T CB -0.024 68.812 68.868 -0.054 0.000 1.132 50 T HN 1.323 nan 8.240 nan 0.000 0.531 51 G N 0.117 108.823 108.800 -0.157 0.000 2.340 51 G HA2 0.423 4.384 3.960 0.001 0.000 0.299 51 G HA3 0.423 4.384 3.960 0.001 0.000 0.299 51 G C -0.617 174.140 174.900 -0.238 0.000 1.291 51 G CA -0.784 44.198 45.100 -0.197 0.000 0.841 51 G HN -0.049 nan 8.290 nan 0.000 0.500 52 F N 0.145 120.055 119.950 -0.067 0.000 2.234 52 F HA 0.131 4.659 4.527 0.001 0.000 0.299 52 F C 1.846 177.588 175.800 -0.097 0.000 1.087 52 F CA 1.596 59.547 58.000 -0.082 0.000 1.340 52 F CB 0.393 39.355 39.000 -0.063 0.000 1.031 52 F HN 0.238 nan 8.300 nan 0.000 0.500 53 D N -1.098 119.357 120.400 0.093 0.000 2.563 53 D HA 0.112 4.753 4.640 0.001 0.000 0.237 53 D C 0.165 176.482 176.300 0.029 0.000 1.282 53 D CA 0.309 54.329 54.000 0.032 0.000 0.816 53 D CB 0.526 41.342 40.800 0.026 0.000 1.066 53 D HN 0.173 nan 8.370 nan 0.000 0.501 54 Q N 0.532 120.339 119.800 0.012 0.000 2.423 54 Q HA 0.388 4.728 4.340 0.001 0.000 0.278 54 Q C -0.701 175.321 176.000 0.037 0.000 1.097 54 Q CA -0.923 54.872 55.803 -0.014 0.000 0.809 54 Q CB 2.521 31.219 28.738 -0.067 0.000 1.391 54 Q HN 0.171 nan 8.270 nan 0.000 0.428 55 Y N -1.422 118.869 120.300 -0.016 0.000 2.605 55 Y HA 0.843 5.393 4.550 0.001 0.000 0.343 55 Y C -0.962 174.940 175.900 0.005 0.000 1.036 55 Y CA -1.280 56.818 58.100 -0.004 0.000 1.065 55 Y CB 1.696 40.171 38.460 0.025 0.000 1.288 55 Y HN 0.462 nan 8.280 nan 0.000 0.481 56 K N 1.065 121.575 120.400 0.184 0.000 2.427 56 K HA 0.682 5.003 4.320 0.001 0.000 0.252 56 K C -2.084 174.662 176.600 0.244 0.000 0.931 56 K CA -0.278 56.078 56.287 0.115 0.000 0.793 56 K CB 1.595 34.122 32.500 0.045 0.000 1.211 56 K HN 0.949 nan 8.250 nan 0.000 0.426 57 c N 2.676 121.409 118.600 0.222 0.000 2.350 57 c HA 0.458 5.028 4.570 0.001 0.000 0.348 57 c C -0.656 173.503 174.090 0.115 0.000 1.260 57 c CA -0.666 55.766 56.329 0.171 0.000 1.966 57 c CB 0.611 43.222 42.510 0.167 0.000 2.380 57 c HN 0.816 nan 8.230 nan 0.000 0.535 58 D N 1.448 121.907 120.400 0.098 0.000 2.396 58 D HA 0.257 4.897 4.640 0.001 0.000 0.225 58 D C 0.203 176.554 176.300 0.085 0.000 1.121 58 D CA -0.337 53.714 54.000 0.084 0.000 0.853 58 D CB 0.747 41.593 40.800 0.077 0.000 1.043 58 D HN 0.638 nan 8.370 nan 0.000 0.500 59 c N 2.886 121.544 118.600 0.097 0.000 2.625 59 c HA 0.156 4.727 4.570 0.001 0.000 0.285 59 c C 0.804 174.960 174.090 0.110 0.000 1.279 59 c CA -0.346 56.053 56.329 0.117 0.000 1.698 59 c CB -1.574 41.032 42.510 0.161 0.000 1.821 59 c HN 0.541 nan 8.230 nan 0.000 0.600 60 T N 1.971 116.574 114.554 0.081 0.000 2.800 60 T HA 0.018 4.369 4.350 0.001 0.000 0.283 60 T C 0.952 175.689 174.700 0.063 0.000 0.999 60 T CA 0.618 62.756 62.100 0.063 0.000 1.176 60 T CB -0.056 68.839 68.868 0.046 0.000 0.973 60 T HN 0.625 nan 8.240 nan 0.000 0.519 61 R N 0.086 120.620 120.500 0.057 0.000 3.946 61 R HA -0.230 4.111 4.340 0.001 0.000 0.329 61 R C 1.716 178.058 176.300 0.071 0.000 1.209 61 R CA 1.199 57.328 56.100 0.049 0.000 0.909 61 R CB -2.475 27.843 30.300 0.031 0.000 1.355 61 R HN 0.923 nan 8.270 nan 0.000 0.539 62 T N -4.231 110.392 114.554 0.115 0.000 3.043 62 T HA 0.169 4.520 4.350 0.001 0.000 0.263 62 T C 1.579 176.423 174.700 0.240 0.000 1.094 62 T CA 0.985 63.195 62.100 0.183 0.000 1.127 62 T CB 0.542 69.543 68.868 0.221 0.000 0.905 62 T HN 0.712 nan 8.240 nan 0.000 0.490 63 G N 0.594 109.471 108.800 0.128 0.000 2.179 63 G HA2 -0.178 3.783 3.960 0.001 0.000 0.260 63 G HA3 -0.178 3.783 3.960 0.001 0.000 0.260 63 G C -0.069 174.710 174.900 -0.201 0.000 0.977 63 G CA 0.162 45.238 45.100 -0.040 0.000 0.641 63 G HN 0.587 nan 8.290 nan 0.000 0.533 64 F N -0.680 119.320 119.950 0.083 0.000 2.611 64 F HA 0.808 5.336 4.527 0.001 0.000 0.324 64 F C 0.383 176.287 175.800 0.174 0.000 1.061 64 F CA -0.816 57.226 58.000 0.070 0.000 0.954 64 F CB 1.548 40.541 39.000 -0.011 0.000 1.301 64 F HN 0.259 nan 8.300 nan 0.000 0.482 65 Y N -1.122 119.309 120.300 0.219 0.000 2.974 65 Y HA 0.894 5.444 4.550 0.001 0.000 0.310 65 Y C -0.029 175.943 175.900 0.121 0.000 1.551 65 Y CA -1.473 56.706 58.100 0.132 0.000 1.084 65 Y CB 0.874 39.381 38.460 0.078 0.000 1.446 65 Y HN 1.045 nan 8.280 nan 0.000 0.472 66 G N 0.276 109.225 108.800 0.250 0.000 2.712 66 G HA2 -0.228 3.732 3.960 0.001 0.000 0.683 66 G HA3 -0.228 3.732 3.960 0.001 0.000 0.683 66 G C 0.293 175.252 174.900 0.098 0.000 1.320 66 G CA 0.088 45.257 45.100 0.115 0.000 0.847 66 G HN 1.186 nan 8.290 nan 0.000 0.553 67 E N -0.350 119.893 120.200 0.072 0.000 2.097 67 E HA -0.183 4.168 4.350 0.001 0.000 0.196 67 E C 1.451 178.124 176.600 0.122 0.000 1.000 67 E CA 1.660 58.103 56.400 0.073 0.000 0.804 67 E CB -0.083 29.643 29.700 0.044 0.000 0.740 67 E HN 0.403 nan 8.360 nan 0.000 0.454 68 N N -0.832 117.925 118.700 0.095 0.000 2.235 68 N HA 0.089 4.830 4.740 0.001 0.000 0.231 68 N C -0.648 174.871 175.510 0.015 0.000 1.177 68 N CA 0.405 53.506 53.050 0.085 0.000 0.874 68 N CB 0.537 39.060 38.487 0.060 0.000 1.097 68 N HN 0.146 nan 8.380 nan 0.000 0.518 69 c N 0.678 119.301 118.600 0.037 0.000 4.350 69 c HA -0.126 4.445 4.570 0.001 0.000 0.302 69 c C 1.814 175.862 174.090 -0.070 0.000 1.390 69 c CA 1.129 57.480 56.329 0.037 0.000 2.016 69 c CB -3.141 39.389 42.510 0.033 0.000 1.271 69 c HN 0.595 nan 8.230 nan 0.000 0.760 70 T N -4.865 109.659 114.554 -0.049 0.000 3.001 70 T HA 0.151 4.502 4.350 0.001 0.000 0.251 70 T C 0.358 175.104 174.700 0.077 0.000 1.040 70 T CA 0.679 62.737 62.100 -0.071 0.000 0.985 70 T CB 0.132 68.953 68.868 -0.077 0.000 1.011 70 T HN 0.557 nan 8.240 nan 0.000 0.509 71 T N 5.813 120.335 114.554 -0.053 0.000 2.727 71 T HA 0.382 4.733 4.350 0.001 0.000 0.295 71 T C -2.626 171.944 174.700 -0.216 0.000 0.915 71 T CA -1.143 60.806 62.100 -0.250 0.000 1.066 71 T CB 1.055 69.502 68.868 -0.702 0.000 0.891 71 T HN 0.252 nan 8.240 nan 0.000 0.516 72 P HA 0.243 nan 4.420 nan 0.000 0.275 72 P C -0.054 177.147 177.300 -0.165 0.000 1.228 72 P CA -0.467 62.394 63.100 -0.399 0.000 0.786 72 P CB 1.009 32.509 31.700 -0.333 0.000 0.927 73 E N 0.598 120.708 120.200 -0.150 0.000 2.371 73 E HA 0.051 4.402 4.350 0.001 0.000 0.257 73 E C 0.776 177.392 176.600 0.027 0.000 1.134 73 E CA -0.368 56.080 56.400 0.081 0.000 0.919 73 E CB 0.141 29.865 29.700 0.041 0.000 1.025 73 E HN 0.369 nan 8.360 nan 0.000 0.438 74 F N 1.757 121.694 119.950 -0.021 0.000 2.069 74 F HA -0.231 4.296 4.527 0.001 0.000 0.298 74 F C 1.825 177.590 175.800 -0.058 0.000 1.113 74 F CA 1.486 59.467 58.000 -0.033 0.000 1.214 74 F CB -0.224 38.766 39.000 -0.017 0.000 0.978 74 F HN 0.448 nan 8.300 nan 0.000 0.474 75 L N 0.151 121.305 121.223 -0.114 0.000 2.083 75 L HA -0.175 4.166 4.340 0.001 0.000 0.209 75 L C 2.233 178.954 176.870 -0.248 0.000 1.083 75 L CA 2.532 57.247 54.840 -0.209 0.000 0.752 75 L CB -1.291 40.729 42.059 -0.065 0.000 0.899 75 L HN 0.234 nan 8.230 nan 0.000 0.433 76 T N -0.689 113.722 114.554 -0.239 0.000 2.746 76 T HA -0.229 4.122 4.350 0.001 0.000 0.267 76 T C 2.028 176.565 174.700 -0.273 0.000 1.039 76 T CA 1.631 63.554 62.100 -0.296 0.000 1.142 76 T CB -0.318 68.235 68.868 -0.525 0.000 0.866 76 T HN 0.334 nan 8.240 nan 0.000 0.444 77 R N 0.303 120.633 120.500 -0.283 0.000 2.091 77 R HA -0.079 4.261 4.340 0.001 0.000 0.238 77 R C 2.246 178.404 176.300 -0.236 0.000 1.136 77 R CA 1.229 57.195 56.100 -0.223 0.000 0.959 77 R CB -0.282 29.903 30.300 -0.191 0.000 0.856 77 R HN 0.295 nan 8.270 nan 0.000 0.437 78 I N 1.004 121.360 120.570 -0.356 0.000 2.252 78 I HA -0.221 3.949 4.170 0.001 0.000 0.245 78 I C 2.020 178.029 176.117 -0.181 0.000 1.102 78 I CA 1.429 62.549 61.300 -0.300 0.000 1.385 78 I CB -0.928 36.828 38.000 -0.407 0.000 1.064 78 I HN 0.151 nan 8.210 nan 0.000 0.414 79 K N 0.584 120.881 120.400 -0.171 0.000 2.097 79 K HA -0.098 4.223 4.320 0.001 0.000 0.206 79 K C 2.222 178.780 176.600 -0.070 0.000 1.049 79 K CA 1.043 57.264 56.287 -0.111 0.000 0.933 79 K CB -0.135 32.297 32.500 -0.113 0.000 0.717 79 K HN 0.248 nan 8.250 nan 0.000 0.442 80 L N 0.722 121.903 121.223 -0.069 0.000 2.056 80 L HA -0.177 4.164 4.340 0.001 0.000 0.207 80 L C 2.206 179.062 176.870 -0.024 0.000 1.078 80 L CA 0.999 55.826 54.840 -0.021 0.000 0.749 80 L CB -0.302 41.758 42.059 0.003 0.000 0.901 80 L HN 0.178 nan 8.230 nan 0.000 0.433 81 L N -0.944 120.249 121.223 -0.050 0.000 2.201 81 L HA -0.203 4.138 4.340 0.001 0.000 0.212 81 L C 2.013 178.862 176.870 -0.035 0.000 1.105 81 L CA 0.690 55.505 54.840 -0.042 0.000 0.775 81 L CB -0.135 41.888 42.059 -0.059 0.000 0.913 81 L HN 0.254 nan 8.230 nan 0.000 0.440 82 L N -0.868 120.331 121.223 -0.040 0.000 2.554 82 L HA 0.092 4.433 4.340 0.001 0.000 0.225 82 L C 1.046 177.909 176.870 -0.012 0.000 1.104 82 L CA 0.713 55.534 54.840 -0.032 0.000 0.866 82 L CB -0.257 41.776 42.059 -0.044 0.000 1.047 82 L HN 0.005 nan 8.230 nan 0.000 0.468 83 K N 2.224 122.624 120.400 -0.001 0.000 2.312 83 K HA 0.231 4.552 4.320 0.001 0.000 0.287 83 K C -2.152 174.469 176.600 0.034 0.000 1.062 83 K CA -1.514 54.789 56.287 0.026 0.000 0.934 83 K CB 0.701 33.223 32.500 0.037 0.000 1.027 83 K HN -0.083 nan 8.250 nan 0.000 0.478 84 P HA 0.057 nan 4.420 nan 0.000 0.277 84 P C -0.568 176.775 177.300 0.071 0.000 1.240 84 P CA -0.486 62.646 63.100 0.054 0.000 0.798 84 P CB 0.940 32.677 31.700 0.063 0.000 0.979 85 T N -0.620 113.971 114.554 0.063 0.000 2.802 85 T HA 0.132 4.483 4.350 0.001 0.000 0.305 85 T C -1.720 173.036 174.700 0.094 0.000 1.053 85 T CA -1.098 61.041 62.100 0.065 0.000 1.058 85 T CB -0.382 68.513 68.868 0.046 0.000 0.988 85 T HN 0.176 nan 8.240 nan 0.000 0.539 86 P HA -0.065 nan 4.420 nan 0.000 0.216 86 P C 1.360 178.751 177.300 0.151 0.000 1.150 86 P CA 0.840 64.008 63.100 0.114 0.000 0.837 86 P CB -0.035 31.712 31.700 0.078 0.000 0.786 87 N N -1.522 117.250 118.700 0.120 0.000 2.244 87 N HA -0.079 4.662 4.740 0.001 0.000 0.183 87 N C 1.611 177.254 175.510 0.222 0.000 1.016 87 N CA 1.355 54.496 53.050 0.153 0.000 0.866 87 N CB -1.092 37.451 38.487 0.094 0.000 0.980 87 N HN 0.153 nan 8.380 nan 0.000 0.430 88 T N 0.559 115.214 114.554 0.167 0.000 2.770 88 T HA -0.008 4.343 4.350 0.001 0.000 0.263 88 T C 2.155 177.001 174.700 0.244 0.000 1.039 88 T CA 0.717 62.921 62.100 0.173 0.000 1.142 88 T CB -0.234 68.694 68.868 0.099 0.000 0.868 88 T HN -0.048 nan 8.240 nan 0.000 0.435 89 V N 1.148 121.188 119.914 0.210 0.000 2.295 89 V HA -0.218 3.903 4.120 0.001 0.000 0.246 89 V C 2.274 178.488 176.094 0.200 0.000 1.049 89 V CA 2.165 64.584 62.300 0.198 0.000 1.024 89 V CB -0.746 31.187 31.823 0.183 0.000 0.648 89 V HN 0.588 nan 8.190 nan 0.000 0.447 90 H N -0.903 118.262 119.070 0.158 0.000 2.352 90 H HA -0.282 4.275 4.556 0.001 0.000 0.299 90 H C 2.138 177.591 175.328 0.207 0.000 1.097 90 H CA 2.473 58.624 56.048 0.173 0.000 1.311 90 H CB -0.367 29.509 29.762 0.189 0.000 1.377 90 H HN 0.520 nan 8.280 nan 0.000 0.504 91 Y N 0.477 120.900 120.300 0.205 0.000 2.128 91 Y HA -0.224 4.327 4.550 0.001 0.000 0.284 91 Y C 2.292 178.346 175.900 0.256 0.000 1.154 91 Y CA 2.112 60.326 58.100 0.189 0.000 1.149 91 Y CB -0.369 38.150 38.460 0.098 0.000 0.976 91 Y HN 0.254 nan 8.280 nan 0.000 0.505 92 I N -0.123 120.714 120.570 0.446 0.000 2.208 92 I HA -0.347 3.823 4.170 0.001 0.000 0.245 92 I C 2.189 178.620 176.117 0.524 0.000 1.097 92 I CA 1.484 63.126 61.300 0.571 0.000 1.363 92 I CB -0.453 37.820 38.000 0.456 0.000 1.051 92 I HN 0.260 nan 8.210 nan 0.000 0.413 93 L N 0.151 121.446 121.223 0.120 0.000 2.376 93 L HA -0.109 4.232 4.340 0.001 0.000 0.219 93 L C 2.044 178.703 176.870 -0.353 0.000 1.133 93 L CA 1.358 56.008 54.840 -0.316 0.000 0.816 93 L CB -0.544 41.005 42.059 -0.849 0.000 0.933 93 L HN 0.426 nan 8.230 nan 0.000 0.449 94 T N -5.286 109.105 114.554 -0.272 0.000 3.129 94 T HA 0.227 4.578 4.350 0.001 0.000 0.267 94 T C 0.251 174.615 174.700 -0.560 0.000 1.018 94 T CA -0.338 61.454 62.100 -0.514 0.000 0.903 94 T CB -0.048 68.472 68.868 -0.580 0.000 1.067 94 T HN 0.172 nan 8.240 nan 0.000 0.549 95 H N -0.644 118.331 119.070 -0.157 0.000 2.949 95 H HA 0.597 5.154 4.556 0.001 0.000 0.310 95 H C -0.591 174.830 175.328 0.156 0.000 1.405 95 H CA -1.794 54.092 56.048 -0.271 0.000 1.253 95 H CB 0.466 29.577 29.762 -1.085 0.000 1.932 95 H HN 0.049 nan 8.280 nan 0.000 0.602 96 F N -0.476 119.659 119.950 0.308 0.000 3.039 96 F HA -0.275 4.253 4.527 0.001 0.000 0.287 96 F C 1.580 177.480 175.800 0.167 0.000 0.956 96 F CA 0.567 58.663 58.000 0.159 0.000 0.971 96 F CB -1.028 37.994 39.000 0.036 0.000 0.943 96 F HN 0.507 nan 8.300 nan 0.000 0.766 97 K N 1.060 121.560 120.400 0.166 0.000 2.152 97 K HA -0.145 4.176 4.320 0.001 0.000 0.206 97 K C 2.294 178.929 176.600 0.058 0.000 1.048 97 K CA 1.505 57.767 56.287 -0.042 0.000 0.933 97 K CB -0.500 31.702 32.500 -0.497 0.000 0.721 97 K HN 0.592 nan 8.250 nan 0.000 0.447 98 G N 0.503 109.332 108.800 0.048 0.000 2.446 98 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 98 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 98 G C 1.458 176.370 174.900 0.020 0.000 1.168 98 G CA 1.044 46.165 45.100 0.035 0.000 0.771 98 G HN 0.203 nan 8.290 nan 0.000 0.551 99 V N -0.445 119.453 119.914 -0.026 0.000 2.358 99 V HA -0.151 3.970 4.120 0.001 0.000 0.246 99 V C 2.438 178.434 176.094 -0.164 0.000 1.047 99 V CA 1.730 63.922 62.300 -0.181 0.000 1.035 99 V CB -0.706 30.886 31.823 -0.385 0.000 0.658 99 V HN 0.608 nan 8.190 nan 0.000 0.452 100 W N 0.181 121.552 121.300 0.118 0.000 2.402 100 W HA -0.087 4.574 4.660 0.001 0.000 0.286 100 W C 2.465 179.057 176.519 0.121 0.000 1.221 100 W CA 0.683 58.122 57.345 0.157 0.000 1.257 100 W CB -0.547 29.049 29.460 0.226 0.000 1.120 100 W HN 0.236 nan 8.180 nan 0.000 0.551 101 N N 0.693 119.542 118.700 0.248 0.000 2.149 101 N HA -0.163 4.578 4.740 0.001 0.000 0.188 101 N C 1.504 177.089 175.510 0.124 0.000 1.019 101 N CA 1.607 54.748 53.050 0.151 0.000 0.857 101 N CB -0.685 37.851 38.487 0.082 0.000 0.997 101 N HN 0.209 nan 8.380 nan 0.000 0.426 102 I N 0.069 120.695 120.570 0.093 0.000 2.233 102 I HA -0.181 3.990 4.170 0.001 0.000 0.243 102 I C 2.108 178.290 176.117 0.108 0.000 1.093 102 I CA 0.609 61.951 61.300 0.069 0.000 1.380 102 I CB -0.325 37.687 38.000 0.020 0.000 1.067 102 I HN -0.113 nan 8.210 nan 0.000 0.413 103 V N 1.145 121.143 119.914 0.139 0.000 2.287 103 V HA -0.274 3.847 4.120 0.001 0.000 0.248 103 V C 1.425 177.694 176.094 0.292 0.000 1.053 103 V CA 1.733 64.163 62.300 0.218 0.000 1.027 103 V CB -0.909 31.087 31.823 0.287 0.000 0.646 103 V HN 0.473 nan 8.190 nan 0.000 0.447 104 N N 1.140 120.029 118.700 0.316 0.000 2.654 104 N HA -0.020 4.720 4.740 0.001 0.000 0.204 104 N C 0.211 175.805 175.510 0.139 0.000 1.446 104 N CA 0.242 53.423 53.050 0.218 0.000 0.895 104 N CB -0.866 37.719 38.487 0.163 0.000 1.132 104 N HN 0.314 nan 8.380 nan 0.000 0.462 105 I N 0.614 121.258 120.570 0.123 0.000 2.732 105 I HA -0.241 3.930 4.170 0.001 0.000 0.127 105 I C -1.099 175.115 176.117 0.162 0.000 0.882 105 I CA -0.107 61.274 61.300 0.135 0.000 2.785 105 I CB -0.684 37.400 38.000 0.140 0.000 0.553 105 I HN 0.024 nan 8.210 nan 0.000 0.352 106 P HA -0.227 nan 4.420 nan 0.000 0.216 106 P C 1.768 179.174 177.300 0.175 0.000 1.150 106 P CA 1.442 64.629 63.100 0.145 0.000 0.843 106 P CB 0.045 31.820 31.700 0.126 0.000 0.787 107 F N -0.060 119.933 119.950 0.071 0.000 2.134 107 F HA -0.142 4.386 4.527 0.001 0.000 0.299 107 F C 1.948 177.796 175.800 0.080 0.000 1.097 107 F CA 1.427 59.467 58.000 0.066 0.000 1.264 107 F CB -0.797 38.232 39.000 0.048 0.000 1.001 107 F HN -0.244 nan 8.300 nan 0.000 0.479 108 L N -0.143 121.123 121.223 0.072 0.000 2.072 108 L HA -0.150 4.191 4.340 0.001 0.000 0.205 108 L C 2.746 179.642 176.870 0.045 0.000 1.079 108 L CA 1.390 56.223 54.840 -0.011 0.000 0.752 108 L CB -0.734 41.391 42.059 0.109 0.000 0.906 108 L HN 0.065 nan 8.230 nan 0.000 0.436 109 R N 0.028 120.638 120.500 0.182 0.000 2.083 109 R HA -0.177 4.164 4.340 0.001 0.000 0.237 109 R C 2.419 178.881 176.300 0.270 0.000 1.137 109 R CA 2.024 58.345 56.100 0.368 0.000 0.951 109 R CB -0.168 30.296 30.300 0.274 0.000 0.851 109 R HN 0.237 nan 8.270 nan 0.000 0.434 110 S N 1.131 116.885 115.700 0.089 0.000 2.370 110 S HA -0.163 4.307 4.470 0.001 0.000 0.226 110 S C 1.845 176.416 174.600 -0.048 0.000 1.033 110 S CA 1.238 59.448 58.200 0.017 0.000 1.011 110 S CB -0.257 62.922 63.200 -0.035 0.000 0.852 110 S HN 0.348 nan 8.310 nan 0.000 0.457 111 L N 1.199 122.313 121.223 -0.182 0.000 2.017 111 L HA -0.104 4.237 4.340 0.001 0.000 0.208 111 L C 1.982 178.811 176.870 -0.070 0.000 1.073 111 L CA 1.225 55.939 54.840 -0.210 0.000 0.745 111 L CB -0.276 41.549 42.059 -0.389 0.000 0.894 111 L HN 0.259 nan 8.230 nan 0.000 0.432 112 I N -0.789 119.744 120.570 -0.063 0.000 2.226 112 I HA -0.307 3.864 4.170 0.001 0.000 0.245 112 I C 2.527 178.644 176.117 -0.001 0.000 1.100 112 I CA 1.458 62.680 61.300 -0.130 0.000 1.374 112 I CB -0.953 36.736 38.000 -0.518 0.000 1.057 112 I HN 0.418 nan 8.210 nan 0.000 0.413 113 M N 1.116 120.823 119.600 0.179 0.000 2.159 113 M HA -0.207 4.274 4.480 0.001 0.000 0.263 113 M C 2.189 178.554 176.300 0.109 0.000 1.063 113 M CA 1.775 57.233 55.300 0.262 0.000 1.110 113 M CB -0.538 32.248 32.600 0.310 0.000 1.374 113 M HN 0.029 nan 8.290 nan 0.000 0.411 114 K N -1.434 119.003 120.400 0.061 0.000 2.057 114 K HA -0.240 4.081 4.320 0.001 0.000 0.207 114 K C 2.097 178.726 176.600 0.049 0.000 1.049 114 K CA 1.775 58.074 56.287 0.020 0.000 0.931 114 K CB -0.484 32.015 32.500 -0.002 0.000 0.714 114 K HN 0.487 nan 8.250 nan 0.000 0.440 115 Y N 0.902 121.181 120.300 -0.035 0.000 2.114 115 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 115 Y C 1.770 177.671 175.900 0.001 0.000 1.143 115 Y CA 1.598 59.682 58.100 -0.026 0.000 1.135 115 Y CB -0.591 37.836 38.460 -0.056 0.000 0.980 115 Y HN -0.167 nan 8.280 nan 0.000 0.499 116 V N 1.151 120.939 119.914 -0.210 0.000 2.252 116 V HA -0.382 3.739 4.120 0.001 0.000 0.249 116 V C 2.605 178.600 176.094 -0.165 0.000 1.056 116 V CA 2.349 64.504 62.300 -0.241 0.000 1.022 116 V CB -1.000 30.847 31.823 0.039 0.000 0.641 116 V HN 0.518 nan 8.190 nan 0.000 0.445 117 L N 0.362 121.540 121.223 -0.074 0.000 2.017 117 L HA -0.185 4.156 4.340 0.001 0.000 0.208 117 L C 2.748 179.579 176.870 -0.065 0.000 1.073 117 L CA 2.246 57.046 54.840 -0.066 0.000 0.745 117 L CB -1.137 40.866 42.059 -0.094 0.000 0.894 117 L HN 0.605 nan 8.230 nan 0.000 0.432 118 T N -3.877 110.638 114.554 -0.065 0.000 2.942 118 T HA -0.088 4.262 4.350 0.001 0.000 0.265 118 T C 2.009 176.727 174.700 0.030 0.000 1.062 118 T CA 0.881 62.982 62.100 0.002 0.000 1.139 118 T CB -0.362 68.521 68.868 0.025 0.000 0.883 118 T HN 0.417 nan 8.240 nan 0.000 0.468 119 S N 2.063 117.706 115.700 -0.095 0.000 2.402 119 S HA -0.016 4.454 4.470 0.001 0.000 0.229 119 S C 2.090 176.718 174.600 0.047 0.000 1.021 119 S CA 0.224 58.400 58.200 -0.040 0.000 0.974 119 S CB -0.450 62.532 63.200 -0.363 0.000 0.800 119 S HN 0.545 nan 8.310 nan 0.000 0.484 120 R N 0.472 120.940 120.500 -0.054 0.000 2.300 120 R HA 0.324 4.665 4.340 0.001 0.000 0.199 120 R C 2.158 178.389 176.300 -0.116 0.000 0.920 120 R CA 0.496 56.537 56.100 -0.099 0.000 1.046 120 R CB -0.206 30.055 30.300 -0.066 0.000 0.984 120 R HN 0.399 nan 8.270 nan 0.000 0.493 121 S N 0.919 116.617 115.700 -0.003 0.000 2.357 121 S HA -0.144 4.326 4.470 0.001 0.000 0.221 121 S C 1.716 176.315 174.600 -0.002 0.000 1.031 121 S CA 0.993 59.232 58.200 0.064 0.000 0.982 121 S CB -0.102 63.213 63.200 0.191 0.000 0.853 121 S HN 0.546 nan 8.310 nan 0.000 0.458 122 Y N 0.844 121.134 120.300 -0.016 0.000 2.569 122 Y HA 0.184 4.734 4.550 0.001 0.000 0.293 122 Y C 1.458 177.307 175.900 -0.086 0.000 1.144 122 Y CA 0.542 58.617 58.100 -0.041 0.000 1.321 122 Y CB -0.614 37.828 38.460 -0.030 0.000 0.982 122 Y HN 0.160 nan 8.280 nan 0.000 0.558 123 L N 0.508 121.327 121.223 -0.674 0.000 2.395 123 L HA 0.044 4.385 4.340 0.001 0.000 0.218 123 L C 0.183 176.798 176.870 -0.425 0.000 1.130 123 L CA 0.076 54.519 54.840 -0.662 0.000 0.826 123 L CB -0.009 41.642 42.059 -0.680 0.000 0.941 123 L HN 0.178 nan 8.230 nan 0.000 0.451 124 I N -0.136 120.274 120.570 -0.268 0.000 2.354 124 I HA 0.171 4.342 4.170 0.001 0.000 0.292 124 I C -0.413 175.631 176.117 -0.121 0.000 0.989 124 I CA -0.843 60.353 61.300 -0.172 0.000 1.188 124 I CB 1.041 38.971 38.000 -0.115 0.000 1.342 124 I HN -0.127 nan 8.210 nan 0.000 0.457 125 D N 4.236 124.579 120.400 -0.094 0.000 2.401 125 D HA 0.163 4.804 4.640 0.001 0.000 0.254 125 D C 0.148 176.394 176.300 -0.090 0.000 1.192 125 D CA 0.639 54.584 54.000 -0.093 0.000 0.885 125 D CB 0.765 41.501 40.800 -0.107 0.000 1.147 125 D HN 0.422 nan 8.370 nan 0.000 0.478 126 S N 2.495 118.133 115.700 -0.103 0.000 2.653 126 S HA 0.370 4.841 4.470 0.001 0.000 0.268 126 S C -2.739 171.798 174.600 -0.104 0.000 1.153 126 S CA -1.267 56.866 58.200 -0.112 0.000 1.036 126 S CB 0.746 63.846 63.200 -0.165 0.000 1.103 126 S HN 0.024 nan 8.310 nan 0.000 0.466 127 P HA 0.196 nan 4.420 nan 0.000 0.266 127 P C -2.465 174.807 177.300 -0.046 0.000 1.193 127 P CA -0.620 62.468 63.100 -0.019 0.000 0.770 127 P CB -0.038 31.660 31.700 -0.004 0.000 0.836 128 P HA 0.060 nan 4.420 nan 0.000 0.274 128 P C -0.049 177.170 177.300 -0.134 0.000 1.246 128 P CA -0.073 62.973 63.100 -0.090 0.000 0.795 128 P CB 0.921 32.553 31.700 -0.113 0.000 1.006 129 T N -2.035 112.379 114.554 -0.235 0.000 3.257 129 T HA 0.207 4.558 4.350 0.001 0.000 0.176 129 T C 0.451 174.912 174.700 -0.398 0.000 0.892 129 T CA 0.064 61.899 62.100 -0.441 0.000 1.147 129 T CB -0.864 67.512 68.868 -0.819 0.000 1.840 129 T HN 0.203 nan 8.240 nan 0.000 0.375 130 Y N 4.016 124.277 120.300 -0.066 0.000 2.330 130 Y HA 0.568 5.119 4.550 0.001 0.000 0.341 130 Y C 0.916 176.757 175.900 -0.099 0.000 1.278 130 Y CA -0.696 57.355 58.100 -0.082 0.000 1.453 130 Y CB 0.216 38.642 38.460 -0.056 0.000 1.342 130 Y HN 0.780 nan 8.280 nan 0.000 0.590 131 N N -2.384 116.347 118.700 0.052 0.000 3.278 131 N HA 0.207 4.947 4.740 0.001 0.000 0.307 131 N C -0.127 175.359 175.510 -0.040 0.000 1.551 131 N CA -0.678 52.342 53.050 -0.050 0.000 0.794 131 N CB 0.462 38.782 38.487 -0.279 0.000 1.770 131 N HN 0.385 nan 8.380 nan 0.000 0.612 132 V N -0.240 119.633 119.914 -0.067 0.000 2.469 132 V HA -0.200 3.921 4.120 0.001 0.000 0.251 132 V C 1.192 177.276 176.094 -0.018 0.000 1.064 132 V CA 1.981 64.252 62.300 -0.049 0.000 1.066 132 V CB -0.941 30.817 31.823 -0.108 0.000 0.667 132 V HN 0.702 nan 8.190 nan 0.000 0.461 133 H N -3.065 115.941 119.070 -0.106 0.000 2.592 133 H HA 0.211 4.768 4.556 0.001 0.000 0.265 133 H C -0.496 174.417 175.328 -0.693 0.000 0.955 133 H CA -0.030 55.830 56.048 -0.312 0.000 1.175 133 H CB 0.447 30.049 29.762 -0.267 0.000 1.433 133 H HN 0.466 nan 8.280 nan 0.000 0.537 134 Y N -0.204 120.014 120.300 -0.137 0.000 2.363 134 Y HA 0.298 4.849 4.550 0.002 0.000 0.325 134 Y C 0.856 176.615 175.900 -0.235 0.000 0.984 134 Y CA -0.819 57.066 58.100 -0.358 0.000 1.248 134 Y CB 1.825 39.995 38.460 -0.483 0.000 1.116 134 Y HN 0.057 nan 8.280 nan 0.000 0.470 135 G N 2.289 111.008 108.800 -0.135 0.000 3.141 135 G HA2 0.103 4.063 3.960 0.001 0.000 0.218 135 G HA3 0.103 4.063 3.960 0.001 0.000 0.218 135 G C -0.358 174.546 174.900 0.006 0.000 1.170 135 G CA 0.211 45.230 45.100 -0.136 0.000 0.769 135 G HN 0.571 nan 8.290 nan 0.000 0.546 136 Y N -2.117 118.347 120.300 0.273 0.000 2.576 136 Y HA 0.710 5.261 4.550 0.001 0.000 0.346 136 Y C -0.112 176.002 175.900 0.357 0.000 1.018 136 Y CA -2.189 56.121 58.100 0.350 0.000 1.050 136 Y CB 1.084 39.673 38.460 0.215 0.000 1.280 136 Y HN -0.245 nan 8.280 nan 0.000 0.474 137 K N 2.006 122.615 120.400 0.347 0.000 2.401 137 K HA 0.466 4.787 4.320 0.001 0.000 0.278 137 K C -0.409 176.268 176.600 0.128 0.000 1.018 137 K CA 0.239 56.568 56.287 0.069 0.000 0.981 137 K CB 0.581 33.076 32.500 -0.009 0.000 0.933 137 K HN 0.898 nan 8.250 nan 0.000 0.477 138 S N 1.089 116.754 115.700 -0.059 0.000 2.570 138 S HA 0.172 4.643 4.470 0.001 0.000 0.270 138 S C 0.068 174.633 174.600 -0.059 0.000 1.149 138 S CA -1.120 57.053 58.200 -0.044 0.000 0.837 138 S CB 0.609 63.640 63.200 -0.281 0.000 1.124 138 S HN 0.888 nan 8.310 nan 0.000 0.465 139 W N 1.357 122.610 121.300 -0.078 0.000 2.374 139 W HA -0.103 4.558 4.660 0.001 0.000 0.288 139 W C 1.579 178.077 176.519 -0.036 0.000 1.218 139 W CA 2.296 59.641 57.345 -0.001 0.000 1.245 139 W CB -0.096 29.377 29.460 0.021 0.000 1.126 139 W HN 1.057 nan 8.180 nan 0.000 0.545 140 E N 0.753 120.888 120.200 -0.108 0.000 2.077 140 E HA -0.155 4.196 4.350 0.001 0.000 0.193 140 E C 2.215 178.594 176.600 -0.368 0.000 0.989 140 E CA 2.296 58.573 56.400 -0.205 0.000 0.800 140 E CB -0.667 28.892 29.700 -0.235 0.000 0.746 140 E HN 0.072 nan 8.360 nan 0.000 0.452 141 A N 0.041 122.509 122.820 -0.585 0.000 1.877 141 A HA -0.117 4.204 4.320 0.001 0.000 0.216 141 A C 2.217 179.582 177.584 -0.364 0.000 1.186 141 A CA 1.444 53.185 52.037 -0.494 0.000 0.620 141 A CB -1.037 17.696 19.000 -0.446 0.000 0.822 141 A HN 0.488 nan 8.150 nan 0.000 0.443 142 F N 2.084 121.735 119.950 -0.498 0.000 2.102 142 F HA -0.202 4.326 4.527 0.001 0.000 0.298 142 F C 2.613 178.083 175.800 -0.550 0.000 1.105 142 F CA 2.250 59.916 58.000 -0.557 0.000 1.239 142 F CB -0.325 38.220 39.000 -0.760 0.000 0.991 142 F HN 0.294 nan 8.300 nan 0.000 0.474 143 S N -0.868 114.351 115.700 -0.802 0.000 2.458 143 S HA 0.001 4.471 4.470 0.001 0.000 0.223 143 S C 0.934 175.308 174.600 -0.375 0.000 1.019 143 S CA 0.059 57.821 58.200 -0.730 0.000 0.937 143 S CB -0.696 62.240 63.200 -0.440 0.000 0.788 143 S HN 0.378 nan 8.310 nan 0.000 0.511 144 N N 1.945 120.521 118.700 -0.207 0.000 2.415 144 N HA 0.244 4.984 4.740 0.001 0.000 0.250 144 N C 0.478 176.008 175.510 0.034 0.000 1.127 144 N CA -0.159 52.906 53.050 0.025 0.000 0.945 144 N CB 0.465 39.122 38.487 0.282 0.000 1.196 144 N HN 0.374 nan 8.380 nan 0.000 0.499 145 L N 1.720 122.932 121.223 -0.020 0.000 2.465 145 L HA -0.027 4.314 4.340 0.001 0.000 0.224 145 L C 1.835 178.800 176.870 0.158 0.000 1.145 145 L CA 0.353 55.207 54.840 0.023 0.000 0.834 145 L CB -0.077 41.988 42.059 0.010 0.000 0.944 145 L HN 0.413 nan 8.230 nan 0.000 0.451 146 S N -1.510 114.249 115.700 0.099 0.000 2.481 146 S HA -0.028 4.443 4.470 0.001 0.000 0.231 146 S C 0.387 174.985 174.600 -0.003 0.000 0.996 146 S CA 0.440 58.665 58.200 0.041 0.000 0.942 146 S CB -0.168 63.054 63.200 0.038 0.000 0.768 146 S HN 0.227 nan 8.310 nan 0.000 0.520 147 Y N 0.462 120.740 120.300 -0.038 0.000 2.299 147 Y HA 0.307 4.858 4.550 0.001 0.000 0.326 147 Y C 0.169 175.991 175.900 -0.130 0.000 1.164 147 Y CA -1.006 56.940 58.100 -0.257 0.000 1.234 147 Y CB 0.276 38.587 38.460 -0.248 0.000 1.219 147 Y HN 0.052 nan 8.280 nan 0.000 0.497 148 Y N 1.006 121.347 120.300 0.069 0.000 2.411 148 Y HA 0.066 4.617 4.550 0.001 0.000 0.333 148 Y C 1.036 176.970 175.900 0.057 0.000 1.186 148 Y CA -0.042 58.118 58.100 0.101 0.000 1.381 148 Y CB 0.523 39.001 38.460 0.031 0.000 1.273 148 Y HN 0.552 nan 8.280 nan 0.000 0.546 149 T N 3.431 118.116 114.554 0.218 0.000 2.788 149 T HA 0.429 4.780 4.350 0.001 0.000 0.280 149 T C -0.308 174.456 174.700 0.107 0.000 0.984 149 T CA -0.684 61.468 62.100 0.087 0.000 0.972 149 T CB 0.341 69.220 68.868 0.019 0.000 1.039 149 T HN 0.448 nan 8.240 nan 0.000 0.530 150 R N 0.907 121.469 120.500 0.105 0.000 2.532 150 R HA 0.554 4.895 4.340 0.001 0.000 0.297 150 R C 0.642 177.067 176.300 0.209 0.000 0.984 150 R CA -0.453 55.727 56.100 0.133 0.000 0.884 150 R CB 1.491 31.861 30.300 0.116 0.000 1.182 150 R HN 0.723 nan 8.270 nan 0.000 0.442 151 A N 3.753 126.738 122.820 0.275 0.000 1.968 151 A HA 0.120 4.441 4.320 0.001 0.000 0.217 151 A C 0.690 178.400 177.584 0.210 0.000 1.169 151 A CA 0.990 53.225 52.037 0.330 0.000 0.638 151 A CB 0.188 19.559 19.000 0.619 0.000 0.812 151 A HN 0.477 nan 8.150 nan 0.000 0.446 152 L N 0.365 121.674 121.223 0.144 0.000 2.362 152 L HA 0.384 4.724 4.340 0.001 0.000 0.271 152 L C -2.486 174.314 176.870 -0.117 0.000 1.002 152 L CA -2.609 52.174 54.840 -0.094 0.000 0.818 152 L CB 2.437 44.233 42.059 -0.438 0.000 1.298 152 L HN 0.001 nan 8.230 nan 0.000 0.420 153 P HA 0.127 nan 4.420 nan 0.000 0.270 153 P C -2.678 174.504 177.300 -0.196 0.000 1.223 153 P CA -1.186 61.679 63.100 -0.393 0.000 0.785 153 P CB -0.402 30.849 31.700 -0.747 0.000 0.923 154 P HA 0.011 nan 4.420 nan 0.000 0.272 154 P C -0.201 177.054 177.300 -0.075 0.000 1.223 154 P CA -0.001 63.079 63.100 -0.034 0.000 0.784 154 P CB 0.290 31.997 31.700 0.010 0.000 0.923 155 V N 1.790 121.687 119.914 -0.029 0.000 2.599 155 V HA 0.094 4.215 4.120 0.001 0.000 0.300 155 V C 1.282 177.348 176.094 -0.047 0.000 1.034 155 V CA 0.038 62.309 62.300 -0.048 0.000 1.115 155 V CB -0.365 31.454 31.823 -0.007 0.000 0.934 155 V HN 0.748 nan 8.190 nan 0.000 0.485 156 A N 4.065 126.832 122.820 -0.088 0.000 2.507 156 A HA 0.069 4.389 4.320 0.001 0.000 0.235 156 A C 1.198 178.785 177.584 0.005 0.000 1.070 156 A CA -0.139 51.861 52.037 -0.062 0.000 0.768 156 A CB -0.042 18.894 19.000 -0.106 0.000 1.011 156 A HN 0.906 nan 8.150 nan 0.000 0.502 157 D N 0.487 120.906 120.400 0.032 0.000 2.218 157 D HA -0.122 4.519 4.640 0.001 0.000 0.204 157 D C 0.893 177.227 176.300 0.056 0.000 0.976 157 D CA 1.806 55.833 54.000 0.045 0.000 0.853 157 D CB -0.058 40.773 40.800 0.050 0.000 0.939 157 D HN 0.778 nan 8.370 nan 0.000 0.481 158 D N -0.529 119.921 120.400 0.083 0.000 2.340 158 D HA -0.023 4.618 4.640 0.001 0.000 0.217 158 D C 0.094 176.449 176.300 0.091 0.000 1.081 158 D CA -0.402 53.660 54.000 0.104 0.000 0.842 158 D CB -0.880 40.009 40.800 0.149 0.000 0.934 158 D HN -0.020 nan 8.370 nan 0.000 0.511 159 c N 2.669 121.286 118.600 0.028 0.000 2.657 159 c HA 0.111 4.681 4.570 0.001 0.000 0.420 159 c C -0.282 173.747 174.090 -0.103 0.000 1.323 159 c CA -0.909 55.363 56.329 -0.095 0.000 1.894 159 c CB 0.952 43.408 42.510 -0.091 0.000 2.681 159 c HN 0.322 nan 8.230 nan 0.000 0.613 160 P HA -0.051 nan 4.420 nan 0.000 0.220 160 P C 0.480 177.751 177.300 -0.048 0.000 1.148 160 P CA 1.517 64.562 63.100 -0.092 0.000 0.803 160 P CB -0.096 31.536 31.700 -0.114 0.000 0.782 161 T N -5.856 108.663 114.554 -0.058 0.000 2.916 161 T HA 0.471 4.822 4.350 0.001 0.000 0.292 161 T C -2.387 172.310 174.700 -0.005 0.000 1.064 161 T CA -2.232 59.858 62.100 -0.017 0.000 1.011 161 T CB 2.012 70.876 68.868 -0.006 0.000 1.152 161 T HN -0.321 nan 8.240 nan 0.000 0.510 162 P HA -0.002 nan 4.420 nan 0.000 0.218 162 P C 1.227 178.552 177.300 0.041 0.000 1.148 162 P CA 0.996 64.118 63.100 0.035 0.000 0.822 162 P CB 0.012 31.744 31.700 0.053 0.000 0.784 163 M N -2.206 117.419 119.600 0.041 0.000 2.494 163 M HA 0.295 4.776 4.480 0.001 0.000 0.232 163 M C 1.294 177.591 176.300 -0.004 0.000 1.137 163 M CA 0.448 55.771 55.300 0.038 0.000 1.012 163 M CB -0.671 31.965 32.600 0.059 0.000 1.567 163 M HN 0.078 nan 8.290 nan 0.000 0.486 164 G N 0.475 109.258 108.800 -0.027 0.000 2.222 164 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 164 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 164 G C 0.302 175.146 174.900 -0.092 0.000 1.450 164 G CA 0.361 45.421 45.100 -0.066 0.000 1.361 164 G HN 0.377 nan 8.290 nan 0.000 0.474 165 V N -1.346 118.525 119.914 -0.071 0.000 3.572 165 V HA 0.528 4.648 4.120 0.001 0.000 0.260 165 V C 0.838 176.920 176.094 -0.019 0.000 1.324 165 V CA 1.300 63.560 62.300 -0.066 0.000 1.068 165 V CB 0.110 31.902 31.823 -0.051 0.000 0.837 165 V HN 0.473 nan 8.190 nan 0.000 0.450 166 K N 1.496 121.893 120.400 -0.004 0.000 2.126 166 K HA 0.599 4.920 4.320 0.001 0.000 0.257 166 K C 0.659 177.282 176.600 0.038 0.000 1.007 166 K CA 0.573 56.872 56.287 0.019 0.000 0.928 166 K CB 0.942 33.455 32.500 0.021 0.000 1.013 166 K HN 0.723 nan 8.250 nan 0.000 0.473 167 G N 1.280 110.113 108.800 0.055 0.000 2.725 167 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 167 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 167 G C -0.793 174.139 174.900 0.052 0.000 1.357 167 G CA -0.700 44.445 45.100 0.075 0.000 0.866 167 G HN 0.753 nan 8.290 nan 0.000 0.548 168 N N -0.447 118.284 118.700 0.052 0.000 2.381 168 N HA 0.397 5.138 4.740 0.001 0.000 0.254 168 N C 1.478 177.002 175.510 0.023 0.000 1.264 168 N CA 0.025 53.093 53.050 0.030 0.000 0.942 168 N CB 0.924 39.422 38.487 0.017 0.000 1.190 168 N HN 0.563 nan 8.380 nan 0.000 0.495 169 K N 0.324 120.733 120.400 0.015 0.000 2.152 169 K HA -0.078 4.242 4.320 0.001 0.000 0.206 169 K C 0.018 176.624 176.600 0.011 0.000 1.048 169 K CA 1.433 57.727 56.287 0.012 0.000 0.933 169 K CB -0.392 32.114 32.500 0.010 0.000 0.721 169 K HN 0.540 nan 8.250 nan 0.000 0.447 170 E N -0.903 119.299 120.200 0.005 0.000 2.256 170 E HA 0.375 4.726 4.350 0.001 0.000 0.267 170 E C -0.733 175.862 176.600 -0.009 0.000 0.892 170 E CA -0.548 55.851 56.400 -0.001 0.000 0.775 170 E CB 1.864 31.557 29.700 -0.012 0.000 1.207 170 E HN 0.130 nan 8.360 nan 0.000 0.420 171 L N 3.208 124.428 121.223 -0.005 0.000 2.464 171 L HA 0.244 4.584 4.340 0.001 0.000 0.264 171 L C -1.808 174.995 176.870 -0.112 0.000 1.199 171 L CA -1.612 53.209 54.840 -0.032 0.000 0.818 171 L CB 0.023 42.100 42.059 0.031 0.000 1.102 171 L HN 0.326 nan 8.230 nan 0.000 0.473 172 P HA -0.065 nan 4.420 nan 0.000 0.269 172 P C -0.790 176.419 177.300 -0.151 0.000 1.215 172 P CA -0.311 62.636 63.100 -0.255 0.000 0.780 172 P CB 0.371 31.787 31.700 -0.473 0.000 0.898 173 D N 1.355 121.692 120.400 -0.104 0.000 2.581 173 D HA -0.080 4.561 4.640 0.001 0.000 0.238 173 D C 1.310 177.580 176.300 -0.050 0.000 1.145 173 D CA 0.538 54.501 54.000 -0.062 0.000 0.866 173 D CB 0.653 41.422 40.800 -0.051 0.000 1.151 173 D HN 0.307 nan 8.370 nan 0.000 0.500 174 S N 4.026 119.713 115.700 -0.022 0.000 2.399 174 S HA -0.217 4.254 4.470 0.001 0.000 0.231 174 S C 1.759 176.368 174.600 0.014 0.000 1.022 174 S CA 0.957 59.162 58.200 0.009 0.000 0.983 174 S CB -0.049 63.162 63.200 0.019 0.000 0.803 174 S HN 0.627 nan 8.310 nan 0.000 0.480 175 K N 1.241 121.641 120.400 -0.000 0.000 2.097 175 K HA -0.113 4.208 4.320 0.001 0.000 0.206 175 K C 2.215 178.813 176.600 -0.002 0.000 1.049 175 K CA 1.481 57.768 56.287 0.001 0.000 0.933 175 K CB -0.187 32.309 32.500 -0.007 0.000 0.717 175 K HN 0.538 nan 8.250 nan 0.000 0.442 176 E N -0.010 120.180 120.200 -0.017 0.000 2.072 176 E HA -0.153 4.198 4.350 0.001 0.000 0.191 176 E C 1.977 178.568 176.600 -0.014 0.000 0.985 176 E CA 1.247 57.632 56.400 -0.025 0.000 0.801 176 E CB 0.125 29.795 29.700 -0.049 0.000 0.750 176 E HN 0.109 nan 8.360 nan 0.000 0.452 177 V N 1.516 121.427 119.914 -0.004 0.000 2.295 177 V HA -0.273 3.848 4.120 0.001 0.000 0.246 177 V C 2.392 178.516 176.094 0.050 0.000 1.049 177 V CA 1.606 63.930 62.300 0.040 0.000 1.024 177 V CB -0.498 31.382 31.823 0.095 0.000 0.648 177 V HN 0.261 nan 8.190 nan 0.000 0.447 178 L N 0.371 121.626 121.223 0.053 0.000 1.971 178 L HA -0.249 4.092 4.340 0.001 0.000 0.215 178 L C 2.483 179.372 176.870 0.032 0.000 1.072 178 L CA 2.271 57.145 54.840 0.056 0.000 0.758 178 L CB -0.704 41.387 42.059 0.053 0.000 0.889 178 L HN 0.378 nan 8.230 nan 0.000 0.433 179 E N -0.686 119.524 120.200 0.016 0.000 2.072 179 E HA -0.237 4.114 4.350 0.001 0.000 0.191 179 E C 2.203 178.804 176.600 0.003 0.000 0.985 179 E CA 1.443 57.847 56.400 0.007 0.000 0.801 179 E CB -0.099 29.600 29.700 -0.001 0.000 0.750 179 E HN 0.515 nan 8.360 nan 0.000 0.452 180 K N 0.245 120.645 120.400 0.001 0.000 2.062 180 K HA -0.088 4.233 4.320 0.001 0.000 0.205 180 K C 2.041 178.639 176.600 -0.003 0.000 1.051 180 K CA 1.541 57.825 56.287 -0.006 0.000 0.941 180 K CB 0.311 32.802 32.500 -0.014 0.000 0.719 180 K HN 0.131 nan 8.250 nan 0.000 0.440 181 V N -3.132 116.786 119.914 0.006 0.000 3.451 181 V HA 0.189 4.309 4.120 0.001 0.000 0.288 181 V C 1.144 177.238 176.094 0.000 0.000 1.502 181 V CA -0.059 62.242 62.300 0.002 0.000 1.026 181 V CB -0.010 31.817 31.823 0.007 0.000 0.840 181 V HN 0.068 nan 8.190 nan 0.000 0.437 182 L N -0.106 121.125 121.223 0.013 0.000 2.445 182 L HA 0.418 4.758 4.340 0.001 0.000 0.207 182 L C 0.955 177.843 176.870 0.031 0.000 1.053 182 L CA 0.174 55.026 54.840 0.021 0.000 0.841 182 L CB 0.198 42.285 42.059 0.045 0.000 1.074 182 L HN 0.185 nan 8.230 nan 0.000 0.479 183 L N 1.575 122.814 121.223 0.027 0.000 2.456 183 L HA 0.075 4.416 4.340 0.001 0.000 0.272 183 L C 0.768 177.651 176.870 0.022 0.000 1.189 183 L CA 0.062 54.917 54.840 0.024 0.000 0.846 183 L CB 0.385 42.452 42.059 0.014 0.000 1.111 183 L HN 0.211 nan 8.230 nan 0.000 0.475 184 R N 1.995 122.514 120.500 0.031 0.000 2.449 184 R HA 0.028 4.369 4.340 0.001 0.000 0.296 184 R C 0.498 176.816 176.300 0.030 0.000 1.047 184 R CA -0.163 55.960 56.100 0.039 0.000 1.018 184 R CB 0.659 31.003 30.300 0.073 0.000 0.962 184 R HN 0.540 nan 8.270 nan 0.000 0.428 185 R N 2.157 122.670 120.500 0.023 0.000 2.039 185 R HA 0.120 4.461 4.340 0.001 0.000 0.218 185 R C 0.154 176.475 176.300 0.036 0.000 1.220 185 R CA 1.034 57.147 56.100 0.021 0.000 0.993 185 R CB 0.047 30.352 30.300 0.008 0.000 0.881 185 R HN 0.671 nan 8.270 nan 0.000 0.450 186 E N -0.207 120.015 120.200 0.037 0.000 2.212 186 E HA 0.178 4.529 4.350 0.001 0.000 0.268 186 E C -1.221 175.433 176.600 0.091 0.000 0.902 186 E CA -0.924 55.514 56.400 0.063 0.000 0.779 186 E CB 0.957 30.679 29.700 0.037 0.000 1.172 186 E HN -0.024 nan 8.360 nan 0.000 0.409 187 F N 4.741 124.682 119.950 -0.015 0.000 2.590 187 F HA 0.167 4.695 4.527 0.001 0.000 0.389 187 F C -0.616 175.169 175.800 -0.025 0.000 1.049 187 F CA 0.275 58.264 58.000 -0.019 0.000 1.199 187 F CB 0.188 39.173 39.000 -0.025 0.000 1.058 187 F HN 0.329 nan 8.300 nan 0.000 0.556 188 I N 9.210 129.384 120.570 -0.661 0.000 2.307 188 I HA 0.278 4.449 4.170 0.001 0.000 0.289 188 I C -2.162 173.342 176.117 -1.022 0.000 1.021 188 I CA -2.130 58.799 61.300 -0.617 0.000 1.224 188 I CB 1.078 38.885 38.000 -0.323 0.000 1.376 188 I HN 0.462 nan 8.210 nan 0.000 0.470 189 P HA 0.074 nan 4.420 nan 0.000 0.274 189 P C -0.822 176.274 177.300 -0.340 0.000 1.231 189 P CA -0.381 62.367 63.100 -0.587 0.000 0.790 189 P CB 0.608 32.184 31.700 -0.207 0.000 0.951 190 D N 2.983 123.239 120.400 -0.240 0.000 2.358 190 D HA 0.037 4.677 4.640 0.001 0.000 0.258 190 D C -1.242 174.949 176.300 -0.182 0.000 1.223 190 D CA -1.849 52.018 54.000 -0.223 0.000 0.886 190 D CB 0.303 40.974 40.800 -0.215 0.000 1.120 190 D HN 0.187 nan 8.370 nan 0.000 0.482 191 P HA -0.120 nan 4.420 nan 0.000 0.226 191 P C 0.887 178.097 177.300 -0.151 0.000 1.153 191 P CA 0.817 63.828 63.100 -0.148 0.000 0.777 191 P CB 0.337 31.952 31.700 -0.142 0.000 0.794 192 Q N -0.865 118.810 119.800 -0.209 0.000 2.451 192 Q HA 0.147 4.487 4.340 0.001 0.000 0.206 192 Q C 1.114 177.045 176.000 -0.114 0.000 0.947 192 Q CA 0.642 56.310 55.803 -0.226 0.000 0.937 192 Q CB -0.312 28.181 28.738 -0.408 0.000 1.025 192 Q HN 0.279 nan 8.270 nan 0.000 0.511 193 G N 0.734 109.482 108.800 -0.086 0.000 2.136 193 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 193 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 193 G C -0.019 174.883 174.900 0.004 0.000 0.989 193 G CA 0.219 45.309 45.100 -0.016 0.000 0.682 193 G HN 0.279 nan 8.290 nan 0.000 0.522 194 S N 1.067 116.746 115.700 -0.035 0.000 2.558 194 S HA 0.353 4.824 4.470 0.001 0.000 0.293 194 S C 0.833 175.432 174.600 -0.003 0.000 1.292 194 S CA 0.642 58.772 58.200 -0.116 0.000 1.063 194 S CB 0.653 63.681 63.200 -0.288 0.000 0.831 194 S HN 1.010 nan 8.310 nan 0.000 0.499 195 N N 1.818 120.558 118.700 0.068 0.000 2.671 195 N HA 0.368 5.108 4.740 0.001 0.000 0.303 195 N C 0.627 176.260 175.510 0.206 0.000 1.277 195 N CA -0.933 52.203 53.050 0.145 0.000 0.933 195 N CB -0.004 38.578 38.487 0.158 0.000 1.190 195 N HN 0.275 nan 8.380 nan 0.000 0.600 196 M N -0.441 119.251 119.600 0.154 0.000 2.319 196 M HA 0.079 4.560 4.480 0.001 0.000 0.265 196 M C 1.439 177.870 176.300 0.217 0.000 1.068 196 M CA 0.967 56.280 55.300 0.022 0.000 1.118 196 M CB -0.987 31.496 32.600 -0.196 0.000 1.395 196 M HN 0.513 nan 8.290 nan 0.000 0.435 197 M N -0.839 119.009 119.600 0.412 0.000 2.108 197 M HA -0.196 4.285 4.480 0.001 0.000 0.261 197 M C 2.271 179.033 176.300 0.771 0.000 1.066 197 M CA 1.613 57.287 55.300 0.623 0.000 1.107 197 M CB -1.479 31.425 32.600 0.506 0.000 1.356 197 M HN 0.218 nan 8.290 nan 0.000 0.406 198 F N 1.007 121.233 119.950 0.461 0.000 2.113 198 F HA -0.095 4.433 4.527 0.001 0.000 0.297 198 F C 2.334 178.261 175.800 0.211 0.000 1.103 198 F CA 1.716 59.812 58.000 0.160 0.000 1.248 198 F CB -0.356 38.602 39.000 -0.070 0.000 0.999 198 F HN 0.112 nan 8.300 nan 0.000 0.475 199 A N -0.025 122.934 122.820 0.232 0.000 1.902 199 A HA -0.169 4.151 4.320 0.001 0.000 0.217 199 A C 2.000 179.532 177.584 -0.088 0.000 1.181 199 A CA 1.780 53.836 52.037 0.032 0.000 0.623 199 A CB -1.456 17.483 19.000 -0.101 0.000 0.818 199 A HN 0.439 nan 8.150 nan 0.000 0.443 200 F N -1.908 118.146 119.950 0.174 0.000 2.367 200 F HA 0.064 4.591 4.527 0.001 0.000 0.298 200 F C 1.868 177.720 175.800 0.087 0.000 1.094 200 F CA 0.394 58.506 58.000 0.186 0.000 1.409 200 F CB -0.666 38.505 39.000 0.285 0.000 1.064 200 F HN 0.335 nan 8.300 nan 0.000 0.528 201 F N 0.649 120.628 119.950 0.048 0.000 2.134 201 F HA -0.141 4.387 4.527 0.001 0.000 0.299 201 F C 2.385 178.033 175.800 -0.254 0.000 1.097 201 F CA 1.364 59.123 58.000 -0.402 0.000 1.264 201 F CB -0.473 38.386 39.000 -0.235 0.000 1.001 201 F HN -0.076 nan 8.300 nan 0.000 0.479 202 A N -0.222 122.616 122.820 0.030 0.000 1.883 202 A HA -0.292 4.029 4.320 0.001 0.000 0.217 202 A C 2.212 179.705 177.584 -0.151 0.000 1.186 202 A CA 1.981 54.045 52.037 0.045 0.000 0.624 202 A CB -1.097 17.999 19.000 0.160 0.000 0.822 202 A HN 0.588 nan 8.150 nan 0.000 0.444 203 Q N -1.497 118.215 119.800 -0.148 0.000 2.046 203 Q HA -0.236 4.105 4.340 0.001 0.000 0.200 203 Q C 2.189 177.926 176.000 -0.439 0.000 0.975 203 Q CA 1.599 57.212 55.803 -0.317 0.000 0.836 203 Q CB -0.336 28.280 28.738 -0.202 0.000 0.896 203 Q HN 0.882 nan 8.270 nan 0.000 0.428 204 H N -0.447 118.364 119.070 -0.431 0.000 2.293 204 H HA -0.179 4.378 4.556 0.001 0.000 0.300 204 H C 1.986 177.110 175.328 -0.340 0.000 1.082 204 H CA 1.863 57.623 56.048 -0.480 0.000 1.308 204 H CB -0.343 29.111 29.762 -0.513 0.000 1.375 204 H HN 0.337 nan 8.280 nan 0.000 0.495 205 F N 2.025 121.591 119.950 -0.641 0.000 2.075 205 F HA -0.212 4.316 4.527 0.001 0.000 0.297 205 F C 2.806 178.004 175.800 -1.002 0.000 1.113 205 F CA 2.550 60.082 58.000 -0.780 0.000 1.218 205 F CB -0.935 37.574 39.000 -0.819 0.000 0.984 205 F HN 0.257 nan 8.300 nan 0.000 0.472 206 T N -3.002 110.818 114.554 -1.224 0.000 2.995 206 T HA -0.169 4.181 4.350 0.001 0.000 0.269 206 T C 1.754 175.516 174.700 -1.565 0.000 1.091 206 T CA 1.574 62.515 62.100 -1.932 0.000 1.128 206 T CB -1.112 66.922 68.868 -1.389 0.000 0.891 206 T HN 0.567 nan 8.240 nan 0.000 0.492 207 H N 1.482 119.973 119.070 -0.965 0.000 2.556 207 H HA 0.044 4.601 4.556 0.001 0.000 0.268 207 H C 2.536 177.455 175.328 -0.683 0.000 0.996 207 H CA 0.825 56.519 56.048 -0.590 0.000 1.157 207 H CB 0.162 29.850 29.762 -0.124 0.000 1.355 207 H HN 0.726 nan 8.280 nan 0.000 0.597 208 Q N 0.865 120.095 119.800 -0.950 0.000 2.245 208 Q HA -0.103 4.238 4.340 0.001 0.000 0.201 208 Q C 1.119 176.744 176.000 -0.626 0.000 0.955 208 Q CA 1.285 56.587 55.803 -0.834 0.000 0.870 208 Q CB -0.174 27.893 28.738 -1.119 0.000 0.945 208 Q HN 0.530 nan 8.270 nan 0.000 0.461 209 F N -2.617 116.906 119.950 -0.712 0.000 2.746 209 F HA 0.468 4.996 4.527 0.001 0.000 0.313 209 F C -0.250 175.265 175.800 -0.475 0.000 1.095 209 F CA -1.241 56.385 58.000 -0.624 0.000 1.224 209 F CB 0.331 38.933 39.000 -0.663 0.000 1.060 209 F HN -0.209 nan 8.300 nan 0.000 0.584 210 F N 3.656 123.387 119.950 -0.365 0.000 2.303 210 F HA 0.507 5.035 4.527 0.001 0.000 0.368 210 F C -0.046 175.543 175.800 -0.352 0.000 1.105 210 F CA -1.629 56.213 58.000 -0.262 0.000 1.153 210 F CB 0.732 39.461 39.000 -0.452 0.000 1.362 210 F HN -0.052 nan 8.300 nan 0.000 0.511 211 K N 2.084 122.462 120.400 -0.037 0.000 2.827 211 K HA 0.223 4.544 4.320 0.001 0.000 0.186 211 K C -0.445 176.061 176.600 -0.158 0.000 1.093 211 K CA -0.332 55.851 56.287 -0.173 0.000 0.993 211 K CB 1.175 33.539 32.500 -0.226 0.000 1.199 211 K HN 0.317 nan 8.250 nan 0.000 0.598 212 T N 1.458 115.924 114.554 -0.147 0.000 2.853 212 T HA -0.041 4.310 4.350 0.001 0.000 0.298 212 T C 0.183 174.626 174.700 -0.427 0.000 0.978 212 T CA 0.223 62.175 62.100 -0.246 0.000 1.152 212 T CB 0.377 69.055 68.868 -0.317 0.000 0.914 212 T HN 0.258 nan 8.240 nan 0.000 0.539 213 D N 1.959 122.189 120.400 -0.284 0.000 2.470 213 D HA 0.007 4.648 4.640 0.001 0.000 0.226 213 D C 1.212 177.401 176.300 -0.184 0.000 1.196 213 D CA -0.230 53.644 54.000 -0.211 0.000 0.979 213 D CB 0.046 40.752 40.800 -0.156 0.000 1.059 213 D HN 0.537 nan 8.370 nan 0.000 0.515 214 H N 2.264 121.318 119.070 -0.027 0.000 2.518 214 H HA -0.106 4.451 4.556 0.001 0.000 0.289 214 H C 2.009 177.313 175.328 -0.039 0.000 1.051 214 H CA 1.398 57.436 56.048 -0.017 0.000 1.280 214 H CB 0.173 29.926 29.762 -0.015 0.000 1.380 214 H HN 0.467 nan 8.280 nan 0.000 0.566 215 K N 1.703 122.112 120.400 0.016 0.000 2.211 215 K HA -0.065 4.256 4.320 0.001 0.000 0.203 215 K C 2.248 178.783 176.600 -0.109 0.000 1.050 215 K CA 0.979 57.240 56.287 -0.043 0.000 0.945 215 K CB -0.143 32.314 32.500 -0.071 0.000 0.732 215 K HN 0.349 nan 8.250 nan 0.000 0.451 216 R N -1.905 118.487 120.500 -0.181 0.000 2.167 216 R HA 0.302 4.643 4.340 0.001 0.000 0.201 216 R C 0.626 176.839 176.300 -0.145 0.000 1.024 216 R CA 0.624 56.501 56.100 -0.373 0.000 1.053 216 R CB 0.919 30.682 30.300 -0.896 0.000 0.987 216 R HN 0.532 nan 8.270 nan 0.000 0.493 217 G N 0.024 108.860 108.800 0.061 0.000 2.347 217 G HA2 -0.074 3.887 3.960 0.001 0.000 0.321 217 G HA3 -0.074 3.887 3.960 0.001 0.000 0.321 217 G C -2.597 172.431 174.900 0.213 0.000 1.412 217 G CA -0.922 44.297 45.100 0.198 0.000 0.990 217 G HN -0.216 nan 8.290 nan 0.000 0.637 218 P HA 0.044 nan 4.420 nan 0.000 0.226 218 P C 1.558 178.941 177.300 0.138 0.000 1.153 218 P CA 1.604 64.763 63.100 0.098 0.000 0.777 218 P CB 0.060 31.784 31.700 0.039 0.000 0.794 219 G N -1.807 107.046 108.800 0.088 0.000 3.088 219 G HA2 0.134 4.095 3.960 0.001 0.000 0.212 219 G HA3 0.134 4.095 3.960 0.001 0.000 0.212 219 G C -0.102 174.621 174.900 -0.294 0.000 1.173 219 G CA -0.091 44.989 45.100 -0.033 0.000 0.779 219 G HN 0.146 nan 8.290 nan 0.000 0.540 220 F N -0.535 119.367 119.950 -0.080 0.000 2.508 220 F HA 0.609 5.137 4.527 0.001 0.000 0.325 220 F C 0.321 175.803 175.800 -0.530 0.000 1.090 220 F CA -0.799 57.003 58.000 -0.330 0.000 0.945 220 F CB 2.572 41.377 39.000 -0.324 0.000 1.156 220 F HN -0.168 nan 8.300 nan 0.000 0.463 221 T N 1.144 115.380 114.554 -0.529 0.000 2.908 221 T HA 0.433 4.784 4.350 0.001 0.000 0.290 221 T C 0.617 175.107 174.700 -0.350 0.000 1.034 221 T CA -0.557 61.150 62.100 -0.656 0.000 1.010 221 T CB 1.268 69.469 68.868 -1.111 0.000 1.068 221 T HN 0.727 nan 8.240 nan 0.000 0.481 222 R N 1.653 121.977 120.500 -0.294 0.000 2.312 222 R HA 0.252 4.593 4.340 0.001 0.000 0.205 222 R C 1.273 177.434 176.300 -0.230 0.000 0.904 222 R CA -0.007 55.961 56.100 -0.221 0.000 1.052 222 R CB 0.473 30.663 30.300 -0.183 0.000 1.014 222 R HN 0.609 nan 8.270 nan 0.000 0.503 223 G N 1.009 109.629 108.800 -0.300 0.000 3.161 223 G HA2 0.174 4.135 3.960 0.001 0.000 0.293 223 G HA3 0.174 4.135 3.960 0.001 0.000 0.293 223 G C 0.700 175.375 174.900 -0.376 0.000 0.893 223 G CA -0.389 44.533 45.100 -0.297 0.000 1.756 223 G HN 0.140 nan 8.290 nan 0.000 0.549 224 L N 1.523 122.613 121.223 -0.223 0.000 2.362 224 L HA 0.019 4.360 4.340 0.001 0.000 0.219 224 L C 2.697 179.573 176.870 0.009 0.000 1.134 224 L CA 0.860 55.639 54.840 -0.102 0.000 0.807 224 L CB -0.016 42.017 42.059 -0.044 0.000 0.927 224 L HN 0.510 nan 8.230 nan 0.000 0.447 225 G N -2.166 106.604 108.800 -0.050 0.000 2.534 225 G HA2 -0.167 3.794 3.960 0.001 0.000 0.217 225 G HA3 -0.167 3.794 3.960 0.001 0.000 0.217 225 G C 0.599 175.534 174.900 0.058 0.000 1.128 225 G CA -0.103 45.001 45.100 0.006 0.000 0.784 225 G HN 0.572 nan 8.290 nan 0.000 0.542 226 H N -0.436 118.598 119.070 -0.061 0.000 2.626 226 H HA -0.169 4.388 4.556 0.001 0.000 0.317 226 H C 1.175 176.446 175.328 -0.096 0.000 1.140 226 H CA 1.149 57.161 56.048 -0.060 0.000 1.134 226 H CB -1.352 28.373 29.762 -0.063 0.000 1.486 226 H HN 0.810 nan 8.280 nan 0.000 0.417 227 G N -1.697 107.072 108.800 -0.052 0.000 2.404 227 G HA2 0.167 4.128 3.960 0.001 0.000 0.253 227 G HA3 0.167 4.128 3.960 0.001 0.000 0.253 227 G C -0.800 174.084 174.900 -0.026 0.000 1.253 227 G CA -0.270 44.755 45.100 -0.126 0.000 0.917 227 G HN 0.179 nan 8.290 nan 0.000 0.480 228 V N 2.505 122.420 119.914 0.002 0.000 2.223 228 V HA 0.288 4.409 4.120 0.001 0.000 0.249 228 V C 0.464 176.593 176.094 0.059 0.000 1.233 228 V CA 0.863 63.198 62.300 0.058 0.000 1.131 228 V CB 0.198 32.117 31.823 0.159 0.000 1.298 228 V HN 0.753 nan 8.190 nan 0.000 0.498 229 D N 2.652 123.069 120.400 0.030 0.000 2.398 229 D HA 0.069 4.710 4.640 0.001 0.000 0.210 229 D C 0.830 177.209 176.300 0.133 0.000 1.094 229 D CA -0.503 53.537 54.000 0.067 0.000 0.839 229 D CB 0.233 41.058 40.800 0.041 0.000 0.963 229 D HN 0.207 nan 8.370 nan 0.000 0.506 230 L N 0.860 122.156 121.223 0.122 0.000 3.843 230 L HA -0.297 4.044 4.340 0.001 0.000 0.411 230 L C 0.923 177.971 176.870 0.297 0.000 1.205 230 L CA 0.839 55.836 54.840 0.262 0.000 0.945 230 L CB -2.895 39.326 42.059 0.271 0.000 1.929 230 L HN 0.403 nan 8.230 nan 0.000 0.934 231 N N -1.063 117.735 118.700 0.164 0.000 2.453 231 N HA -0.177 4.564 4.740 0.001 0.000 0.183 231 N C 1.674 177.205 175.510 0.035 0.000 1.041 231 N CA 1.553 54.658 53.050 0.093 0.000 0.900 231 N CB -0.294 38.185 38.487 -0.012 0.000 0.961 231 N HN 0.715 nan 8.380 nan 0.000 0.443 232 H N -0.634 118.293 119.070 -0.239 0.000 2.546 232 H HA 0.112 4.669 4.556 0.001 0.000 0.277 232 H C 1.368 176.580 175.328 -0.194 0.000 1.004 232 H CA 0.696 56.544 56.048 -0.334 0.000 1.231 232 H CB -0.350 29.180 29.762 -0.386 0.000 1.382 232 H HN 0.432 nan 8.280 nan 0.000 0.580 233 I N -1.055 119.312 120.570 -0.339 0.000 3.300 233 I HA -0.046 4.125 4.170 0.001 0.000 0.279 233 I C 1.245 177.139 176.117 -0.373 0.000 1.172 233 I CA 0.198 61.212 61.300 -0.477 0.000 1.431 233 I CB 0.068 37.567 38.000 -0.835 0.000 1.240 233 I HN -0.027 nan 8.210 nan 0.000 0.453 234 Y N 1.331 121.632 120.300 0.002 0.000 2.478 234 Y HA 0.464 5.015 4.550 0.001 0.000 0.261 234 Y C 1.155 177.079 175.900 0.041 0.000 1.127 234 Y CA 0.053 58.189 58.100 0.061 0.000 1.288 234 Y CB 0.037 38.577 38.460 0.134 0.000 1.084 234 Y HN 0.138 nan 8.280 nan 0.000 0.530 235 G N 0.815 109.679 108.800 0.106 0.000 2.712 235 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 235 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 235 G C 0.139 175.058 174.900 0.032 0.000 1.181 235 G CA -0.105 45.018 45.100 0.038 0.000 0.762 235 G HN 0.180 nan 8.290 nan 0.000 0.641 236 E N -0.324 119.861 120.200 -0.026 0.000 2.107 236 E HA 0.096 4.447 4.350 0.001 0.000 0.191 236 E C 1.811 178.394 176.600 -0.028 0.000 0.982 236 E CA 2.182 58.558 56.400 -0.040 0.000 0.809 236 E CB 0.050 29.702 29.700 -0.081 0.000 0.756 236 E HN 1.170 nan 8.360 nan 0.000 0.459 237 T N -2.013 112.522 114.554 -0.032 0.000 2.918 237 T HA 0.268 4.619 4.350 0.001 0.000 0.286 237 T C 0.968 175.632 174.700 -0.060 0.000 1.026 237 T CA -0.655 61.418 62.100 -0.045 0.000 1.031 237 T CB 1.342 70.179 68.868 -0.052 0.000 1.046 237 T HN 0.036 nan 8.240 nan 0.000 0.479 238 L N 1.423 122.583 121.223 -0.104 0.000 2.043 238 L HA -0.035 4.306 4.340 0.001 0.000 0.212 238 L C 2.202 178.900 176.870 -0.286 0.000 1.075 238 L CA 2.509 57.212 54.840 -0.229 0.000 0.752 238 L CB -1.016 40.888 42.059 -0.258 0.000 0.891 238 L HN 1.025 nan 8.230 nan 0.000 0.432 239 D N -1.149 119.157 120.400 -0.156 0.000 2.117 239 D HA -0.279 4.362 4.640 0.001 0.000 0.197 239 D C 2.364 178.657 176.300 -0.012 0.000 0.987 239 D CA 1.533 55.485 54.000 -0.080 0.000 0.829 239 D CB -0.165 40.607 40.800 -0.047 0.000 0.961 239 D HN 0.298 nan 8.370 nan 0.000 0.460 240 R N -0.132 120.359 120.500 -0.014 0.000 2.075 240 R HA -0.148 4.193 4.340 0.001 0.000 0.232 240 R C 2.506 178.836 176.300 0.049 0.000 1.126 240 R CA 1.403 57.513 56.100 0.017 0.000 0.963 240 R CB -0.286 30.014 30.300 -0.001 0.000 0.858 240 R HN 0.343 nan 8.270 nan 0.000 0.435 241 Q N -0.194 119.630 119.800 0.041 0.000 2.045 241 Q HA -0.246 4.095 4.340 0.001 0.000 0.206 241 Q C 1.688 177.759 176.000 0.117 0.000 0.991 241 Q CA 2.014 57.866 55.803 0.081 0.000 0.851 241 Q CB -0.186 28.590 28.738 0.064 0.000 0.911 241 Q HN 0.664 nan 8.270 nan 0.000 0.418 242 H N -0.551 118.527 119.070 0.014 0.000 2.423 242 H HA -0.051 4.505 4.556 0.001 0.000 0.297 242 H C 2.010 177.453 175.328 0.192 0.000 1.075 242 H CA 0.894 57.035 56.048 0.156 0.000 1.342 242 H CB 0.289 30.201 29.762 0.251 0.000 1.395 242 H HN 0.216 nan 8.280 nan 0.000 0.530 243 K N 0.570 121.103 120.400 0.221 0.000 2.211 243 K HA -0.059 4.262 4.320 0.001 0.000 0.203 243 K C 1.785 178.450 176.600 0.109 0.000 1.050 243 K CA 0.627 57.003 56.287 0.147 0.000 0.945 243 K CB 0.203 32.760 32.500 0.095 0.000 0.732 243 K HN 0.256 nan 8.250 nan 0.000 0.451 244 L N 0.213 121.485 121.223 0.082 0.000 2.446 244 L HA 0.032 4.372 4.340 0.001 0.000 0.219 244 L C 0.685 177.560 176.870 0.008 0.000 1.116 244 L CA 0.152 55.025 54.840 0.056 0.000 0.844 244 L CB 0.056 42.154 42.059 0.065 0.000 0.970 244 L HN 0.005 nan 8.230 nan 0.000 0.457 245 R N -0.122 120.316 120.500 -0.104 0.000 2.459 245 R HA 0.135 4.476 4.340 0.001 0.000 0.281 245 R C 0.784 176.964 176.300 -0.200 0.000 1.050 245 R CA -0.490 55.413 56.100 -0.329 0.000 1.055 245 R CB 1.402 31.105 30.300 -0.995 0.000 1.045 245 R HN -0.095 nan 8.270 nan 0.000 0.495 246 L N 2.616 123.768 121.223 -0.119 0.000 2.240 246 L HA 0.074 4.414 4.340 0.001 0.000 0.211 246 L C 0.137 177.080 176.870 0.121 0.000 1.106 246 L CA 1.289 56.148 54.840 0.033 0.000 0.793 246 L CB -0.221 41.891 42.059 0.088 0.000 0.927 246 L HN 0.798 nan 8.230 nan 0.000 0.446 247 F N -0.720 119.224 119.950 -0.010 0.000 3.034 247 F HA -0.292 4.236 4.527 0.001 0.000 0.286 247 F C 0.742 176.552 175.800 0.016 0.000 0.804 247 F CA 1.285 59.264 58.000 -0.035 0.000 1.161 247 F CB -1.758 37.188 39.000 -0.090 0.000 1.317 247 F HN 0.207 nan 8.300 nan 0.000 0.453 248 K N 0.587 121.072 120.400 0.142 0.000 2.443 248 K HA 0.387 4.708 4.320 0.001 0.000 0.252 248 K C 0.183 176.867 176.600 0.139 0.000 0.933 248 K CA -0.370 55.998 56.287 0.135 0.000 0.792 248 K CB 1.279 33.852 32.500 0.121 0.000 1.185 248 K HN 0.021 nan 8.250 nan 0.000 0.425 249 D N 2.754 123.239 120.400 0.142 0.000 3.059 249 D HA -0.193 4.448 4.640 0.001 0.000 0.220 249 D C 0.647 177.056 176.300 0.181 0.000 1.169 249 D CA 1.845 55.937 54.000 0.153 0.000 0.902 249 D CB -1.157 39.724 40.800 0.135 0.000 1.116 249 D HN 1.090 nan 8.370 nan 0.000 0.417 250 G N -0.513 108.407 108.800 0.200 0.000 2.179 250 G HA2 -0.378 3.583 3.960 0.001 0.000 0.260 250 G HA3 -0.378 3.583 3.960 0.001 0.000 0.260 250 G C 0.376 175.543 174.900 0.445 0.000 0.977 250 G CA 0.862 46.140 45.100 0.297 0.000 0.641 250 G HN 0.488 nan 8.290 nan 0.000 0.533 251 K N -0.305 120.283 120.400 0.313 0.000 2.107 251 K HA 0.651 4.972 4.320 0.001 0.000 0.251 251 K C 0.651 177.436 176.600 0.307 0.000 1.012 251 K CA -0.578 55.937 56.287 0.382 0.000 0.920 251 K CB 0.890 33.563 32.500 0.288 0.000 1.033 251 K HN 0.172 nan 8.250 nan 0.000 0.478 252 L N 2.143 123.563 121.223 0.327 0.000 2.334 252 L HA 0.244 4.585 4.340 0.001 0.000 0.277 252 L C 0.380 177.396 176.870 0.244 0.000 1.075 252 L CA -0.523 54.431 54.840 0.190 0.000 0.804 252 L CB 0.922 43.058 42.059 0.130 0.000 1.174 252 L HN 0.446 nan 8.230 nan 0.000 0.438 253 K N 2.087 122.577 120.400 0.150 0.000 2.440 253 K HA 0.215 4.536 4.320 0.001 0.000 0.270 253 K C -1.097 175.632 176.600 0.214 0.000 0.980 253 K CA 0.414 56.771 56.287 0.116 0.000 0.953 253 K CB 0.481 33.009 32.500 0.047 0.000 0.925 253 K HN 0.463 nan 8.250 nan 0.000 0.497 254 Y N -2.408 117.920 120.300 0.047 0.000 2.689 254 Y HA 0.255 4.806 4.550 0.001 0.000 0.333 254 Y C -1.447 174.480 175.900 0.045 0.000 1.208 254 Y CA -1.406 56.715 58.100 0.035 0.000 1.055 254 Y CB 0.944 39.412 38.460 0.014 0.000 1.304 254 Y HN 0.601 nan 8.280 nan 0.000 0.455 255 Q N 0.547 120.464 119.800 0.193 0.000 2.416 255 Q HA 0.855 5.196 4.340 0.001 0.000 0.279 255 Q C -1.865 174.292 176.000 0.262 0.000 1.101 255 Q CA -1.415 54.468 55.803 0.134 0.000 0.830 255 Q CB 3.096 31.909 28.738 0.125 0.000 1.402 255 Q HN 0.573 nan 8.270 nan 0.000 0.445 256 V N 2.307 122.336 119.914 0.191 0.000 2.326 256 V HA 0.414 4.535 4.120 0.001 0.000 0.281 256 V C -0.662 175.527 176.094 0.158 0.000 1.015 256 V CA -0.470 61.938 62.300 0.180 0.000 0.823 256 V CB 0.856 32.773 31.823 0.157 0.000 1.009 256 V HN 0.648 nan 8.190 nan 0.000 0.436 257 I N 3.759 124.464 120.570 0.225 0.000 2.362 257 I HA 0.553 4.724 4.170 0.001 0.000 0.289 257 I C 1.216 177.433 176.117 0.166 0.000 0.994 257 I CA -0.401 61.013 61.300 0.189 0.000 1.158 257 I CB 1.573 39.687 38.000 0.190 0.000 1.315 257 I HN 0.802 nan 8.210 nan 0.000 0.451 258 G N 4.503 113.360 108.800 0.096 0.000 2.356 258 G HA2 -0.149 3.812 3.960 0.001 0.000 0.296 258 G HA3 -0.149 3.812 3.960 0.001 0.000 0.296 258 G C 1.014 175.949 174.900 0.057 0.000 1.022 258 G CA 0.655 45.796 45.100 0.069 0.000 0.961 258 G HN 1.498 nan 8.290 nan 0.000 0.510 259 G N -1.805 107.026 108.800 0.051 0.000 2.184 259 G HA2 -0.250 3.711 3.960 0.001 0.000 0.264 259 G HA3 -0.250 3.711 3.960 0.001 0.000 0.264 259 G C 0.091 174.984 174.900 -0.010 0.000 0.975 259 G CA 0.877 45.990 45.100 0.023 0.000 0.642 259 G HN 0.926 nan 8.290 nan 0.000 0.536 260 E N -0.016 120.180 120.200 -0.006 0.000 2.183 260 E HA 0.510 4.861 4.350 0.001 0.000 0.271 260 E C 0.102 176.550 176.600 -0.252 0.000 0.919 260 E CA -0.725 55.577 56.400 -0.162 0.000 0.781 260 E CB 2.272 31.858 29.700 -0.190 0.000 1.140 260 E HN 0.101 nan 8.360 nan 0.000 0.402 261 V N 4.355 124.046 119.914 -0.372 0.000 2.455 261 V HA 0.128 4.249 4.120 0.001 0.000 0.273 261 V C -0.607 175.157 176.094 -0.550 0.000 1.045 261 V CA 0.142 62.259 62.300 -0.305 0.000 0.976 261 V CB -0.503 31.124 31.823 -0.328 0.000 0.993 261 V HN 0.499 nan 8.190 nan 0.000 0.475 262 Y N 5.021 125.258 120.300 -0.104 0.000 2.633 262 Y HA 0.540 5.090 4.550 0.001 0.000 0.339 262 Y C -2.245 173.531 175.900 -0.208 0.000 1.045 262 Y CA -2.788 55.138 58.100 -0.290 0.000 1.098 262 Y CB 1.795 39.963 38.460 -0.486 0.000 1.296 262 Y HN 0.415 nan 8.280 nan 0.000 0.494 263 P HA 0.074 nan 4.420 nan 0.000 0.270 263 P C -2.511 174.841 177.300 0.087 0.000 1.223 263 P CA -0.846 62.245 63.100 -0.016 0.000 0.785 263 P CB 0.077 31.764 31.700 -0.021 0.000 0.923 264 P HA 0.071 nan 4.420 nan 0.000 0.277 264 P C -0.413 177.014 177.300 0.213 0.000 1.276 264 P CA -0.001 63.191 63.100 0.152 0.000 0.788 264 P CB 0.160 31.918 31.700 0.097 0.000 1.114 265 T N -3.599 111.047 114.554 0.154 0.000 2.927 265 T HA 0.220 4.571 4.350 0.001 0.000 0.281 265 T C 1.458 176.207 174.700 0.082 0.000 0.998 265 T CA -0.681 61.490 62.100 0.118 0.000 1.019 265 T CB 0.151 69.041 68.868 0.038 0.000 1.061 265 T HN 0.064 nan 8.240 nan 0.000 0.518 266 V N 1.364 121.314 119.914 0.059 0.000 2.282 266 V HA -0.164 3.957 4.120 0.001 0.000 0.249 266 V C 2.846 178.957 176.094 0.028 0.000 1.057 266 V CA 2.400 64.734 62.300 0.055 0.000 1.032 266 V CB -0.883 30.971 31.823 0.052 0.000 0.645 266 V HN 1.020 nan 8.190 nan 0.000 0.447 267 K N -0.092 120.310 120.400 0.003 0.000 2.097 267 K HA -0.227 4.093 4.320 0.001 0.000 0.205 267 K C 1.887 178.492 176.600 0.008 0.000 1.050 267 K CA 1.795 58.080 56.287 -0.003 0.000 0.938 267 K CB -0.283 32.205 32.500 -0.021 0.000 0.718 267 K HN 0.513 nan 8.250 nan 0.000 0.442 268 D N -0.891 119.520 120.400 0.017 0.000 2.144 268 D HA -0.113 4.527 4.640 0.001 0.000 0.200 268 D C 1.589 177.907 176.300 0.029 0.000 0.978 268 D CA 1.787 55.799 54.000 0.020 0.000 0.833 268 D CB 0.111 40.925 40.800 0.024 0.000 0.961 268 D HN 0.410 nan 8.370 nan 0.000 0.470 269 T N -4.019 110.559 114.554 0.041 0.000 3.023 269 T HA 0.069 4.420 4.350 0.001 0.000 0.249 269 T C 0.889 175.616 174.700 0.046 0.000 1.050 269 T CA 0.162 62.293 62.100 0.051 0.000 1.088 269 T CB -0.008 68.900 68.868 0.066 0.000 0.946 269 T HN 0.221 nan 8.240 nan 0.000 0.480 270 Q N 0.064 119.886 119.800 0.037 0.000 2.494 270 Q HA -0.117 4.223 4.340 0.001 0.000 0.266 270 Q C -0.769 175.251 176.000 0.034 0.000 1.053 270 Q CA 0.188 56.008 55.803 0.030 0.000 1.029 270 Q CB -2.382 26.370 28.738 0.023 0.000 1.423 270 Q HN 0.494 nan 8.270 nan 0.000 0.516 271 V N 1.782 121.723 119.914 0.046 0.000 2.408 271 V HA 0.059 4.180 4.120 0.001 0.000 0.267 271 V C 0.642 176.764 176.094 0.047 0.000 1.047 271 V CA 0.088 62.415 62.300 0.046 0.000 0.937 271 V CB 1.498 33.356 31.823 0.059 0.000 0.999 271 V HN 0.141 nan 8.190 nan 0.000 0.472 272 E N 6.035 126.251 120.200 0.027 0.000 2.417 272 E HA 0.232 4.583 4.350 0.001 0.000 0.261 272 E C 0.006 176.620 176.600 0.023 0.000 1.000 272 E CA -0.078 56.336 56.400 0.023 0.000 0.919 272 E CB 0.712 30.413 29.700 0.001 0.000 0.955 272 E HN 0.516 nan 8.360 nan 0.000 0.455 273 M N 1.513 121.143 119.600 0.049 0.000 2.658 273 M HA 0.481 4.961 4.480 0.001 0.000 0.295 273 M C -0.569 175.703 176.300 -0.048 0.000 1.248 273 M CA -1.015 54.288 55.300 0.005 0.000 0.843 273 M CB 1.864 34.533 32.600 0.114 0.000 1.749 273 M HN 0.378 nan 8.290 nan 0.000 0.464 274 I N 2.350 122.813 120.570 -0.177 0.000 2.301 274 I HA 0.313 4.484 4.170 0.001 0.000 0.292 274 I C -1.224 174.690 176.117 -0.338 0.000 1.046 274 I CA -0.137 61.072 61.300 -0.153 0.000 1.282 274 I CB -0.621 37.344 38.000 -0.058 0.000 1.409 274 I HN 0.500 nan 8.210 nan 0.000 0.484 275 Y N 5.743 125.982 120.300 -0.102 0.000 2.504 275 Y HA 0.446 4.996 4.550 0.001 0.000 0.344 275 Y C -2.109 173.540 175.900 -0.418 0.000 1.023 275 Y CA -2.245 55.693 58.100 -0.270 0.000 1.020 275 Y CB 1.573 39.922 38.460 -0.184 0.000 1.282 275 Y HN 0.446 nan 8.280 nan 0.000 0.454 276 P HA 0.116 nan 4.420 nan 0.000 0.268 276 P C -2.103 174.957 177.300 -0.401 0.000 1.208 276 P CA -0.965 61.838 63.100 -0.495 0.000 0.777 276 P CB 0.412 31.646 31.700 -0.777 0.000 0.875 277 P HA -0.160 nan 4.420 nan 0.000 0.219 277 P C 0.775 177.995 177.300 -0.134 0.000 1.146 277 P CA 1.453 64.474 63.100 -0.132 0.000 0.808 277 P CB -0.399 31.278 31.700 -0.038 0.000 0.779 278 H N -2.960 116.064 119.070 -0.077 0.000 2.539 278 H HA 0.150 4.706 4.556 0.001 0.000 0.267 278 H C 0.576 175.848 175.328 -0.093 0.000 0.982 278 H CA -0.325 55.680 56.048 -0.072 0.000 1.146 278 H CB -0.727 29.003 29.762 -0.053 0.000 1.382 278 H HN -0.010 nan 8.280 nan 0.000 0.577 279 I N 3.155 123.541 120.570 -0.306 0.000 2.471 279 I HA 0.155 4.326 4.170 0.001 0.000 0.286 279 I C -2.020 173.951 176.117 -0.243 0.000 1.079 279 I CA -2.993 58.145 61.300 -0.270 0.000 1.398 279 I CB 0.491 38.259 38.000 -0.388 0.000 1.403 279 I HN 0.106 nan 8.210 nan 0.000 0.530 280 P HA -0.001 nan 4.420 nan 0.000 0.265 280 P C 0.993 178.139 177.300 -0.257 0.000 1.187 280 P CA 0.041 63.028 63.100 -0.190 0.000 0.766 280 P CB 0.748 32.349 31.700 -0.165 0.000 0.820 281 E N 2.749 122.832 120.200 -0.195 0.000 2.086 281 E HA -0.343 4.007 4.350 0.001 0.000 0.200 281 E C 1.087 177.550 176.600 -0.227 0.000 1.012 281 E CA 1.663 57.948 56.400 -0.193 0.000 0.812 281 E CB -0.166 29.463 29.700 -0.118 0.000 0.743 281 E HN 0.317 nan 8.360 nan 0.000 0.453 282 N N -0.233 118.348 118.700 -0.199 0.000 2.512 282 N HA -0.018 4.723 4.740 0.001 0.000 0.183 282 N C 1.194 176.466 175.510 -0.396 0.000 1.073 282 N CA 0.417 53.358 53.050 -0.182 0.000 0.911 282 N CB 0.123 38.558 38.487 -0.087 0.000 0.964 282 N HN 0.229 nan 8.380 nan 0.000 0.447 283 L N -0.167 120.717 121.223 -0.566 0.000 2.592 283 L HA 0.159 4.500 4.340 0.001 0.000 0.227 283 L C 0.232 176.394 176.870 -1.180 0.000 1.127 283 L CA 0.165 54.421 54.840 -0.973 0.000 0.884 283 L CB 0.113 41.803 42.059 -0.615 0.000 1.065 283 L HN -0.015 nan 8.230 nan 0.000 0.457 284 Q N 0.923 120.187 119.800 -0.892 0.000 3.027 284 Q HA 0.158 4.499 4.340 0.001 0.000 0.260 284 Q C -0.846 174.934 176.000 -0.365 0.000 1.379 284 Q CA -0.429 54.791 55.803 -0.970 0.000 1.038 284 Q CB 0.027 28.359 28.738 -0.676 0.000 1.578 284 Q HN 0.099 nan 8.270 nan 0.000 0.571 285 F N 1.097 121.013 119.950 -0.056 0.000 2.572 285 F HA 0.161 4.689 4.527 0.001 0.000 0.370 285 F C 0.832 176.756 175.800 0.207 0.000 1.103 285 F CA -0.966 57.091 58.000 0.095 0.000 1.286 285 F CB 0.372 39.436 39.000 0.107 0.000 1.105 285 F HN 0.232 nan 8.300 nan 0.000 0.583 286 A N 3.813 126.838 122.820 0.342 0.000 2.271 286 A HA 0.777 5.097 4.320 0.001 0.000 0.317 286 A C -0.549 177.144 177.584 0.180 0.000 1.245 286 A CA -0.472 51.703 52.037 0.230 0.000 0.857 286 A CB 0.608 19.703 19.000 0.158 0.000 1.175 286 A HN 0.789 nan 8.150 nan 0.000 0.512 287 V N -0.061 119.940 119.914 0.144 0.000 3.156 287 V HA 0.866 4.987 4.120 0.001 0.000 0.310 287 V C 1.162 177.263 176.094 0.011 0.000 1.234 287 V CA -0.068 62.290 62.300 0.097 0.000 1.065 287 V CB 0.958 32.886 31.823 0.175 0.000 1.088 287 V HN 1.032 nan 8.190 nan 0.000 0.451 288 G N -0.796 107.980 108.800 -0.040 0.000 2.476 288 G HA2 -0.116 3.845 3.960 0.001 0.000 0.218 288 G HA3 -0.116 3.845 3.960 0.001 0.000 0.218 288 G C 0.726 175.514 174.900 -0.187 0.000 1.164 288 G CA 0.841 45.886 45.100 -0.091 0.000 0.768 288 G HN 0.683 nan 8.290 nan 0.000 0.560 289 Q N 0.194 119.768 119.800 -0.376 0.000 2.303 289 Q HA 0.237 4.578 4.340 0.001 0.000 0.257 289 Q C 0.717 176.441 176.000 -0.460 0.000 0.941 289 Q CA -0.189 55.229 55.803 -0.642 0.000 0.931 289 Q CB 1.637 29.432 28.738 -1.571 0.000 1.215 289 Q HN 0.363 nan 8.270 nan 0.000 0.437 290 E N 1.293 121.318 120.200 -0.292 0.000 2.265 290 E HA -0.155 4.196 4.350 0.001 0.000 0.196 290 E C 1.445 177.951 176.600 -0.158 0.000 0.996 290 E CA 1.167 57.464 56.400 -0.171 0.000 0.832 290 E CB 0.150 29.776 29.700 -0.124 0.000 0.756 290 E HN 0.512 nan 8.360 nan 0.000 0.491 291 V N -2.500 117.312 119.914 -0.170 0.000 3.621 291 V HA 0.107 4.228 4.120 0.001 0.000 0.285 291 V C 1.148 177.316 176.094 0.123 0.000 1.346 291 V CA 0.161 62.443 62.300 -0.029 0.000 1.104 291 V CB -0.368 31.478 31.823 0.038 0.000 0.913 291 V HN 0.008 nan 8.190 nan 0.000 0.432 292 F N 2.864 122.777 119.950 -0.061 0.000 2.604 292 F HA 0.314 4.842 4.527 0.001 0.000 0.298 292 F C 2.323 178.099 175.800 -0.041 0.000 1.131 292 F CA 0.540 58.526 58.000 -0.024 0.000 1.457 292 F CB -1.127 37.896 39.000 0.039 0.000 1.095 292 F HN 0.393 nan 8.300 nan 0.000 0.574 293 G N -0.297 108.534 108.800 0.052 0.000 2.679 293 G HA2 -0.141 3.820 3.960 0.001 0.000 0.212 293 G HA3 -0.141 3.820 3.960 0.001 0.000 0.212 293 G C 1.748 176.593 174.900 -0.092 0.000 1.137 293 G CA 0.283 45.386 45.100 0.005 0.000 0.787 293 G HN 0.334 nan 8.290 nan 0.000 0.534 294 L N 0.928 121.999 121.223 -0.253 0.000 2.017 294 L HA 0.104 4.445 4.340 0.001 0.000 0.208 294 L C 0.938 177.492 176.870 -0.526 0.000 1.073 294 L CA 1.523 55.955 54.840 -0.680 0.000 0.745 294 L CB -0.134 41.698 42.059 -0.378 0.000 0.894 294 L HN 0.123 nan 8.230 nan 0.000 0.432 295 V N -6.027 113.713 119.914 -0.289 0.000 2.841 295 V HA 0.476 4.597 4.120 0.001 0.000 0.310 295 V C -2.025 173.839 176.094 -0.383 0.000 1.090 295 V CA -1.528 60.556 62.300 -0.359 0.000 0.930 295 V CB 1.076 32.791 31.823 -0.181 0.000 1.014 295 V HN -0.142 nan 8.190 nan 0.000 0.425 296 P HA -0.049 nan 4.420 nan 0.000 0.219 296 P C 1.646 178.820 177.300 -0.209 0.000 1.146 296 P CA 1.997 64.872 63.100 -0.376 0.000 0.808 296 P CB 0.104 31.545 31.700 -0.431 0.000 0.779 297 G N -0.271 108.250 108.800 -0.465 0.000 2.422 297 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 297 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 297 G C 1.468 176.101 174.900 -0.444 0.000 1.146 297 G CA 0.493 45.009 45.100 -0.975 0.000 0.769 297 G HN 0.249 nan 8.290 nan 0.000 0.547 298 L N -0.287 120.756 121.223 -0.302 0.000 2.095 298 L HA 0.046 4.386 4.340 0.001 0.000 0.204 298 L C 2.986 179.759 176.870 -0.161 0.000 1.080 298 L CA 0.410 55.120 54.840 -0.217 0.000 0.759 298 L CB -0.306 41.533 42.059 -0.366 0.000 0.914 298 L HN 0.108 nan 8.230 nan 0.000 0.439 299 M N -0.581 118.955 119.600 -0.106 0.000 2.213 299 M HA -0.233 4.248 4.480 0.001 0.000 0.263 299 M C 2.270 178.511 176.300 -0.098 0.000 1.062 299 M CA 1.664 56.949 55.300 -0.026 0.000 1.105 299 M CB -0.763 31.863 32.600 0.045 0.000 1.385 299 M HN 0.353 nan 8.290 nan 0.000 0.417 300 M N -0.972 118.528 119.600 -0.166 0.000 2.065 300 M HA -0.295 4.186 4.480 0.001 0.000 0.259 300 M C 2.014 178.166 176.300 -0.247 0.000 1.069 300 M CA 2.037 57.201 55.300 -0.227 0.000 1.110 300 M CB -0.401 32.108 32.600 -0.151 0.000 1.328 300 M HN 0.153 nan 8.290 nan 0.000 0.405 301 Y N 0.004 120.183 120.300 -0.201 0.000 2.220 301 Y HA -0.103 4.448 4.550 0.001 0.000 0.291 301 Y C 2.622 178.339 175.900 -0.305 0.000 1.129 301 Y CA 1.159 59.054 58.100 -0.342 0.000 1.161 301 Y CB -0.518 37.565 38.460 -0.630 0.000 0.997 301 Y HN 0.434 nan 8.280 nan 0.000 0.522 302 A N -0.248 122.533 122.820 -0.065 0.000 1.917 302 A HA -0.250 4.071 4.320 0.001 0.000 0.219 302 A C 2.222 179.846 177.584 0.066 0.000 1.182 302 A CA 2.520 54.642 52.037 0.142 0.000 0.633 302 A CB -1.258 17.874 19.000 0.221 0.000 0.819 302 A HN 0.415 nan 8.150 nan 0.000 0.448 303 T N 0.064 114.597 114.554 -0.035 0.000 2.737 303 T HA -0.053 4.297 4.350 0.001 0.000 0.265 303 T C 1.822 176.447 174.700 -0.125 0.000 1.038 303 T CA 1.376 63.414 62.100 -0.103 0.000 1.144 303 T CB -0.393 68.379 68.868 -0.160 0.000 0.866 303 T HN 0.414 nan 8.240 nan 0.000 0.434 304 I N -0.519 119.955 120.570 -0.159 0.000 2.151 304 I HA -0.225 3.946 4.170 0.001 0.000 0.243 304 I C 2.233 178.234 176.117 -0.193 0.000 1.080 304 I CA 1.629 62.790 61.300 -0.232 0.000 1.339 304 I CB -0.295 37.511 38.000 -0.323 0.000 1.039 304 I HN 0.351 nan 8.210 nan 0.000 0.409 305 W N 0.369 121.640 121.300 -0.048 0.000 2.402 305 W HA -0.117 4.544 4.660 0.001 0.000 0.286 305 W C 2.443 178.945 176.519 -0.029 0.000 1.221 305 W CA 0.512 57.842 57.345 -0.025 0.000 1.257 305 W CB -0.260 29.171 29.460 -0.047 0.000 1.120 305 W HN 0.128 nan 8.180 nan 0.000 0.551 306 L N 0.774 122.084 121.223 0.146 0.000 2.017 306 L HA -0.212 4.129 4.340 0.001 0.000 0.208 306 L C 2.569 179.481 176.870 0.071 0.000 1.073 306 L CA 1.759 56.649 54.840 0.083 0.000 0.745 306 L CB -0.388 41.688 42.059 0.028 0.000 0.894 306 L HN -0.076 nan 8.230 nan 0.000 0.432 307 R N -0.418 120.066 120.500 -0.025 0.000 2.091 307 R HA -0.244 4.097 4.340 0.001 0.000 0.238 307 R C 2.210 178.495 176.300 -0.025 0.000 1.136 307 R CA 1.678 57.728 56.100 -0.084 0.000 0.959 307 R CB -0.411 29.793 30.300 -0.160 0.000 0.856 307 R HN 0.370 nan 8.270 nan 0.000 0.437 308 E N 0.325 120.529 120.200 0.007 0.000 2.085 308 E HA -0.242 4.108 4.350 0.001 0.000 0.194 308 E C 1.768 178.456 176.600 0.147 0.000 0.994 308 E CA 1.809 58.239 56.400 0.050 0.000 0.801 308 E CB -0.225 29.496 29.700 0.036 0.000 0.743 308 E HN 0.452 nan 8.360 nan 0.000 0.453 309 H N -0.247 118.913 119.070 0.151 0.000 2.319 309 H HA -0.056 4.501 4.556 0.001 0.000 0.299 309 H C 1.600 177.006 175.328 0.130 0.000 1.092 309 H CA 2.244 58.401 56.048 0.182 0.000 1.302 309 H CB -0.110 29.788 29.762 0.226 0.000 1.373 309 H HN 0.141 nan 8.280 nan 0.000 0.497 310 N N 0.143 118.935 118.700 0.154 0.000 2.244 310 N HA -0.112 4.629 4.740 0.001 0.000 0.183 310 N C 1.968 177.469 175.510 -0.014 0.000 1.016 310 N CA 0.878 53.969 53.050 0.069 0.000 0.866 310 N CB -0.328 38.181 38.487 0.037 0.000 0.980 310 N HN 0.411 nan 8.380 nan 0.000 0.430 311 R N 0.735 121.221 120.500 -0.023 0.000 2.066 311 R HA -0.021 4.320 4.340 0.001 0.000 0.232 311 R C 1.655 177.943 176.300 -0.019 0.000 1.131 311 R CA 0.985 57.067 56.100 -0.030 0.000 0.955 311 R CB -0.177 30.102 30.300 -0.036 0.000 0.851 311 R HN -0.024 nan 8.270 nan 0.000 0.432 312 V N 0.336 120.238 119.914 -0.020 0.000 2.407 312 V HA -0.318 3.803 4.120 0.001 0.000 0.248 312 V C 2.534 178.616 176.094 -0.021 0.000 1.055 312 V CA 1.642 63.936 62.300 -0.010 0.000 1.049 312 V CB -0.484 31.346 31.823 0.011 0.000 0.662 312 V HN 0.531 nan 8.190 nan 0.000 0.455 313 C N 0.067 119.320 119.300 -0.078 0.000 2.413 313 C HA -0.181 4.280 4.460 0.001 0.000 0.276 313 C C 2.550 177.561 174.990 0.035 0.000 1.236 313 C CA 1.083 60.092 59.018 -0.016 0.000 1.735 313 C CB -1.057 26.677 27.740 -0.010 0.000 2.031 313 C HN 0.604 nan 8.230 nan 0.000 0.474 314 D N 0.677 121.087 120.400 0.017 0.000 2.104 314 D HA -0.094 4.547 4.640 0.001 0.000 0.194 314 D C 1.907 178.212 176.300 0.008 0.000 0.994 314 D CA 1.209 55.219 54.000 0.016 0.000 0.830 314 D CB -0.412 40.388 40.800 -0.000 0.000 0.959 314 D HN 0.468 nan 8.370 nan 0.000 0.452 315 I N 0.492 121.064 120.570 0.004 0.000 2.179 315 I HA -0.243 3.928 4.170 0.001 0.000 0.242 315 I C 2.419 178.529 176.117 -0.011 0.000 1.088 315 I CA 0.754 62.051 61.300 -0.005 0.000 1.357 315 I CB -0.120 37.882 38.000 0.004 0.000 1.051 315 I HN -0.029 nan 8.210 nan 0.000 0.409 316 L N 0.382 121.623 121.223 0.029 0.000 2.141 316 L HA -0.206 4.135 4.340 0.001 0.000 0.209 316 L C 2.562 179.437 176.870 0.008 0.000 1.094 316 L CA 1.215 56.081 54.840 0.044 0.000 0.763 316 L CB -0.498 41.666 42.059 0.175 0.000 0.908 316 L HN 0.215 nan 8.230 nan 0.000 0.437 317 K N 0.141 120.569 120.400 0.046 0.000 2.097 317 K HA -0.250 4.071 4.320 0.001 0.000 0.205 317 K C 2.187 178.773 176.600 -0.024 0.000 1.050 317 K CA 1.385 57.700 56.287 0.046 0.000 0.938 317 K CB 0.022 32.565 32.500 0.071 0.000 0.718 317 K HN 0.237 nan 8.250 nan 0.000 0.442 318 Q N 0.218 119.991 119.800 -0.046 0.000 2.050 318 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 318 Q C 1.716 177.624 176.000 -0.153 0.000 0.980 318 Q CA 1.433 57.191 55.803 -0.075 0.000 0.840 318 Q CB 0.152 28.854 28.738 -0.059 0.000 0.898 318 Q HN 0.261 nan 8.270 nan 0.000 0.424 319 E N -0.070 119.992 120.200 -0.231 0.000 2.077 319 E HA -0.115 4.236 4.350 0.001 0.000 0.193 319 E C 0.212 176.387 176.600 -0.710 0.000 0.989 319 E CA 1.064 57.186 56.400 -0.463 0.000 0.800 319 E CB 0.075 29.446 29.700 -0.549 0.000 0.746 319 E HN 0.451 nan 8.360 nan 0.000 0.452 320 H N -0.154 118.675 119.070 -0.401 0.000 2.423 320 H HA 0.169 4.725 4.556 0.001 0.000 0.237 320 H C -1.770 173.417 175.328 -0.235 0.000 1.391 320 H CA -1.597 54.131 56.048 -0.533 0.000 1.453 320 H CB 1.234 30.142 29.762 -1.424 0.000 1.484 320 H HN 0.032 nan 8.280 nan 0.000 0.505 321 P HA -0.152 nan 4.420 nan 0.000 0.225 321 P C 1.384 178.735 177.300 0.085 0.000 1.148 321 P CA 0.959 64.072 63.100 0.022 0.000 0.779 321 P CB 0.462 32.162 31.700 -0.001 0.000 0.780 322 E N -1.402 118.861 120.200 0.104 0.000 2.435 322 E HA -0.109 4.241 4.350 0.001 0.000 0.195 322 E C 0.165 176.953 176.600 0.314 0.000 1.029 322 E CA 0.145 56.649 56.400 0.173 0.000 0.865 322 E CB -0.582 29.214 29.700 0.161 0.000 0.833 322 E HN 0.145 nan 8.360 nan 0.000 0.510 323 W N 1.789 123.136 121.300 0.078 0.000 2.202 323 W HA 0.530 5.191 4.660 0.001 0.000 0.332 323 W C 1.111 177.660 176.519 0.050 0.000 1.263 323 W CA -0.124 57.247 57.345 0.044 0.000 1.223 323 W CB 0.690 30.169 29.460 0.032 0.000 1.128 323 W HN -0.022 nan 8.180 nan 0.000 0.573 324 G N 0.801 109.723 108.800 0.204 0.000 2.535 324 G HA2 0.114 4.074 3.960 0.001 0.000 0.303 324 G HA3 0.114 4.074 3.960 0.001 0.000 0.303 324 G C 0.340 175.321 174.900 0.135 0.000 1.237 324 G CA -0.181 45.000 45.100 0.134 0.000 0.986 324 G HN 0.490 nan 8.290 nan 0.000 0.494 325 D N -0.926 119.550 120.400 0.127 0.000 2.116 325 D HA -0.194 4.447 4.640 0.001 0.000 0.193 325 D C 2.012 178.391 176.300 0.131 0.000 0.998 325 D CA 1.827 55.911 54.000 0.140 0.000 0.836 325 D CB 0.104 40.990 40.800 0.142 0.000 0.951 325 D HN 0.428 nan 8.370 nan 0.000 0.449 326 E N 0.247 120.500 120.200 0.089 0.000 2.051 326 E HA -0.241 4.110 4.350 0.001 0.000 0.192 326 E C 2.082 178.714 176.600 0.053 0.000 0.991 326 E CA 1.432 57.880 56.400 0.080 0.000 0.799 326 E CB -0.365 29.363 29.700 0.046 0.000 0.748 326 E HN 0.460 nan 8.360 nan 0.000 0.449 327 Q N -0.463 119.280 119.800 -0.095 0.000 2.119 327 Q HA -0.096 4.245 4.340 0.001 0.000 0.201 327 Q C 2.229 178.109 176.000 -0.201 0.000 0.972 327 Q CA 1.183 56.788 55.803 -0.329 0.000 0.847 327 Q CB -0.060 28.199 28.738 -0.798 0.000 0.903 327 Q HN 0.358 nan 8.270 nan 0.000 0.433 328 L N -0.281 120.981 121.223 0.065 0.000 2.017 328 L HA -0.169 4.171 4.340 0.001 0.000 0.208 328 L C 2.276 179.257 176.870 0.185 0.000 1.073 328 L CA 1.222 56.210 54.840 0.248 0.000 0.745 328 L CB -0.522 41.710 42.059 0.288 0.000 0.894 328 L HN 0.307 nan 8.230 nan 0.000 0.432 329 F N 0.593 120.590 119.950 0.078 0.000 2.069 329 F HA -0.271 4.257 4.527 0.001 0.000 0.298 329 F C 2.738 178.586 175.800 0.080 0.000 1.113 329 F CA 1.661 59.735 58.000 0.124 0.000 1.214 329 F CB -0.231 38.794 39.000 0.041 0.000 0.978 329 F HN 0.043 nan 8.300 nan 0.000 0.474 330 Q N -0.102 119.697 119.800 -0.001 0.000 2.079 330 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 330 Q C 2.228 178.146 176.000 -0.137 0.000 0.974 330 Q CA 2.161 57.885 55.803 -0.132 0.000 0.840 330 Q CB -1.120 27.619 28.738 0.002 0.000 0.898 330 Q HN 0.439 nan 8.270 nan 0.000 0.430 331 T N 1.007 115.524 114.554 -0.061 0.000 2.777 331 T HA -0.072 4.279 4.350 0.001 0.000 0.266 331 T C 2.183 176.952 174.700 0.114 0.000 1.040 331 T CA 1.365 63.498 62.100 0.055 0.000 1.141 331 T CB -0.127 68.841 68.868 0.168 0.000 0.868 331 T HN 0.195 nan 8.240 nan 0.000 0.444 332 S N 0.941 116.660 115.700 0.031 0.000 2.368 332 S HA -0.105 4.366 4.470 0.001 0.000 0.225 332 S C 2.081 176.720 174.600 0.066 0.000 1.030 332 S CA 1.061 59.260 58.200 -0.002 0.000 0.999 332 S CB -0.255 62.775 63.200 -0.284 0.000 0.844 332 S HN 0.452 nan 8.310 nan 0.000 0.459 333 R N 1.052 121.483 120.500 -0.116 0.000 2.083 333 R HA -0.052 4.288 4.340 0.001 0.000 0.237 333 R C 2.146 178.494 176.300 0.079 0.000 1.137 333 R CA 1.282 57.281 56.100 -0.169 0.000 0.951 333 R CB -0.410 29.427 30.300 -0.772 0.000 0.851 333 R HN 0.353 nan 8.270 nan 0.000 0.434 334 L N 0.352 121.651 121.223 0.126 0.000 2.046 334 L HA -0.184 4.156 4.340 0.001 0.000 0.208 334 L C 2.510 179.656 176.870 0.461 0.000 1.077 334 L CA 1.227 56.263 54.840 0.327 0.000 0.747 334 L CB -0.388 41.881 42.059 0.349 0.000 0.896 334 L HN 0.299 nan 8.230 nan 0.000 0.432 335 I N -0.480 120.332 120.570 0.403 0.000 2.163 335 I HA -0.323 3.848 4.170 0.001 0.000 0.243 335 I C 2.353 178.625 176.117 0.257 0.000 1.085 335 I CA 1.262 62.734 61.300 0.287 0.000 1.347 335 I CB -0.118 38.031 38.000 0.248 0.000 1.044 335 I HN 0.189 nan 8.210 nan 0.000 0.408 336 L N 0.104 121.501 121.223 0.291 0.000 2.141 336 L HA -0.148 4.193 4.340 0.001 0.000 0.209 336 L C 2.258 179.271 176.870 0.239 0.000 1.094 336 L CA 1.612 56.651 54.840 0.332 0.000 0.763 336 L CB -0.473 41.824 42.059 0.396 0.000 0.908 336 L HN 0.154 nan 8.230 nan 0.000 0.437 337 I N -0.866 119.844 120.570 0.234 0.000 2.127 337 I HA -0.279 3.892 4.170 0.001 0.000 0.241 337 I C 2.521 178.764 176.117 0.210 0.000 1.075 337 I CA 1.564 62.986 61.300 0.202 0.000 1.334 337 I CB -0.976 37.159 38.000 0.225 0.000 1.040 337 I HN 0.357 nan 8.210 nan 0.000 0.405 338 G N 0.203 109.168 108.800 0.275 0.000 2.446 338 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 338 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 338 G C 1.507 176.548 174.900 0.234 0.000 1.168 338 G CA 0.770 46.052 45.100 0.303 0.000 0.771 338 G HN 0.424 nan 8.290 nan 0.000 0.551 339 E N -0.228 120.122 120.200 0.250 0.000 2.085 339 E HA -0.125 4.226 4.350 0.001 0.000 0.194 339 E C 2.804 179.585 176.600 0.302 0.000 0.994 339 E CA 1.520 58.097 56.400 0.295 0.000 0.801 339 E CB -0.248 29.702 29.700 0.416 0.000 0.743 339 E HN 0.371 nan 8.360 nan 0.000 0.453 340 T N 1.365 116.072 114.554 0.255 0.000 2.708 340 T HA -0.142 4.209 4.350 0.001 0.000 0.266 340 T C 2.010 176.722 174.700 0.020 0.000 1.037 340 T CA 1.056 63.260 62.100 0.173 0.000 1.146 340 T CB -0.219 68.658 68.868 0.014 0.000 0.865 340 T HN 0.110 nan 8.240 nan 0.000 0.435 341 I N 0.855 121.368 120.570 -0.095 0.000 2.226 341 I HA -0.166 4.004 4.170 0.001 0.000 0.245 341 I C 2.540 178.345 176.117 -0.520 0.000 1.100 341 I CA 1.134 62.217 61.300 -0.361 0.000 1.374 341 I CB -0.294 37.355 38.000 -0.584 0.000 1.057 341 I HN 0.139 nan 8.210 nan 0.000 0.413 342 K N 1.857 122.018 120.400 -0.397 0.000 2.009 342 K HA -0.167 4.154 4.320 0.001 0.000 0.210 342 K C 1.872 178.489 176.600 0.029 0.000 1.049 342 K CA 1.874 58.124 56.287 -0.063 0.000 0.929 342 K CB -0.417 32.216 32.500 0.222 0.000 0.714 342 K HN 0.239 nan 8.250 nan 0.000 0.440 343 I N -0.037 120.576 120.570 0.071 0.000 2.252 343 I HA -0.236 3.935 4.170 0.001 0.000 0.245 343 I C 2.086 178.234 176.117 0.052 0.000 1.102 343 I CA 0.796 62.151 61.300 0.092 0.000 1.385 343 I CB -0.152 37.960 38.000 0.186 0.000 1.064 343 I HN -0.018 nan 8.210 nan 0.000 0.414 344 V N 1.126 121.017 119.914 -0.038 0.000 2.287 344 V HA -0.294 3.827 4.120 0.001 0.000 0.248 344 V C 2.268 178.418 176.094 0.093 0.000 1.053 344 V CA 1.991 64.227 62.300 -0.108 0.000 1.027 344 V CB -0.374 31.199 31.823 -0.418 0.000 0.646 344 V HN 0.319 nan 8.190 nan 0.000 0.447 345 I N -0.433 120.162 120.570 0.042 0.000 2.133 345 I HA -0.188 3.983 4.170 0.001 0.000 0.238 345 I C 2.473 178.664 176.117 0.123 0.000 1.074 345 I CA 1.677 63.037 61.300 0.100 0.000 1.342 345 I CB -0.355 37.692 38.000 0.078 0.000 1.053 345 I HN 0.326 nan 8.210 nan 0.000 0.404 346 E N 0.116 120.381 120.200 0.108 0.000 2.299 346 E HA -0.113 4.238 4.350 0.001 0.000 0.193 346 E C 1.037 177.696 176.600 0.098 0.000 0.998 346 E CA 0.652 57.105 56.400 0.089 0.000 0.851 346 E CB 0.231 29.982 29.700 0.084 0.000 0.795 346 E HN 0.496 nan 8.360 nan 0.000 0.492 347 D N -0.692 119.801 120.400 0.154 0.000 2.856 347 D HA -0.044 4.597 4.640 0.001 0.000 0.283 347 D C 1.532 178.095 176.300 0.438 0.000 1.051 347 D CA 0.330 54.467 54.000 0.229 0.000 0.965 347 D CB -0.269 40.616 40.800 0.142 0.000 1.201 347 D HN 0.067 nan 8.370 nan 0.000 0.474 348 Y N 2.179 122.634 120.300 0.258 0.000 2.130 348 Y HA -0.134 4.417 4.550 0.001 0.000 0.287 348 Y C 2.194 178.228 175.900 0.223 0.000 1.124 348 Y CA 1.382 59.551 58.100 0.116 0.000 1.118 348 Y CB -0.345 38.010 38.460 -0.175 0.000 0.994 348 Y HN -0.273 nan 8.280 nan 0.000 0.497 349 V N 0.730 120.844 119.914 0.333 0.000 2.343 349 V HA -0.308 3.813 4.120 0.001 0.000 0.247 349 V C 2.326 178.438 176.094 0.030 0.000 1.051 349 V CA 2.126 64.543 62.300 0.194 0.000 1.036 349 V CB -0.891 31.081 31.823 0.248 0.000 0.654 349 V HN 0.419 nan 8.190 nan 0.000 0.451 350 Q N 0.372 120.210 119.800 0.064 0.000 2.096 350 Q HA -0.302 4.039 4.340 0.001 0.000 0.208 350 Q C 2.122 178.086 176.000 -0.061 0.000 0.993 350 Q CA 2.736 58.535 55.803 -0.007 0.000 0.862 350 Q CB -0.579 28.185 28.738 0.044 0.000 0.915 350 Q HN 0.860 nan 8.270 nan 0.000 0.416 351 H N -0.576 118.458 119.070 -0.060 0.000 2.293 351 H HA -0.073 4.484 4.556 0.001 0.000 0.300 351 H C 1.798 176.952 175.328 -0.290 0.000 1.082 351 H CA 2.081 58.046 56.048 -0.137 0.000 1.308 351 H CB -0.430 29.292 29.762 -0.066 0.000 1.375 351 H HN 0.330 nan 8.280 nan 0.000 0.495 352 L N 0.203 121.121 121.223 -0.508 0.000 2.042 352 L HA -0.225 4.116 4.340 0.001 0.000 0.210 352 L C 2.857 179.441 176.870 -0.477 0.000 1.076 352 L CA 1.653 56.158 54.840 -0.558 0.000 0.749 352 L CB -0.662 41.287 42.059 -0.184 0.000 0.893 352 L HN 0.543 nan 8.230 nan 0.000 0.432 353 S N -0.462 114.963 115.700 -0.459 0.000 2.368 353 S HA -0.121 4.350 4.470 0.001 0.000 0.225 353 S C 1.747 175.972 174.600 -0.624 0.000 1.030 353 S CA 1.006 58.771 58.200 -0.724 0.000 0.999 353 S CB -0.516 61.947 63.200 -1.229 0.000 0.844 353 S HN 0.590 nan 8.310 nan 0.000 0.459 354 G N -0.266 108.244 108.800 -0.484 0.000 2.162 354 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 354 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 354 G C -0.117 174.604 174.900 -0.299 0.000 0.976 354 G CA 0.431 45.320 45.100 -0.352 0.000 0.655 354 G HN 0.551 nan 8.290 nan 0.000 0.533 355 Y N 0.231 120.347 120.300 -0.306 0.000 2.397 355 Y HA 0.413 4.963 4.550 0.001 0.000 0.335 355 Y C 1.776 177.456 175.900 -0.367 0.000 1.213 355 Y CA -0.673 57.196 58.100 -0.385 0.000 1.391 355 Y CB 0.423 38.731 38.460 -0.253 0.000 1.293 355 Y HN 0.197 nan 8.280 nan 0.000 0.557 356 H N 1.363 120.330 119.070 -0.172 0.000 2.482 356 H HA -0.058 4.498 4.556 0.001 0.000 0.286 356 H C 0.303 175.551 175.328 -0.133 0.000 1.017 356 H CA 0.096 56.060 56.048 -0.139 0.000 1.322 356 H CB -0.135 29.594 29.762 -0.055 0.000 1.426 356 H HN 0.496 nan 8.280 nan 0.000 0.546 357 F N 2.629 122.290 119.950 -0.481 0.000 2.538 357 F HA 0.135 4.663 4.527 0.001 0.000 0.371 357 F C 0.407 176.174 175.800 -0.054 0.000 1.087 357 F CA -0.497 57.303 58.000 -0.333 0.000 1.250 357 F CB 0.471 39.007 39.000 -0.773 0.000 1.110 357 F HN -0.269 nan 8.300 nan 0.000 0.570 358 K N 7.816 127.735 120.400 -0.802 0.000 2.273 358 K HA 0.283 4.604 4.320 0.001 0.000 0.287 358 K C -0.474 175.546 176.600 -0.968 0.000 1.089 358 K CA -0.353 55.552 56.287 -0.637 0.000 0.909 358 K CB 0.368 32.681 32.500 -0.313 0.000 1.123 358 K HN 0.635 nan 8.250 nan 0.000 0.473 359 L N 2.867 123.781 121.223 -0.516 0.000 2.483 359 L HA 0.093 4.433 4.340 0.001 0.000 0.275 359 L C 0.417 177.224 176.870 -0.104 0.000 1.220 359 L CA 0.461 55.179 54.840 -0.204 0.000 0.833 359 L CB 0.123 42.209 42.059 0.044 0.000 1.102 359 L HN 0.492 nan 8.230 nan 0.000 0.490 360 K N 2.044 122.452 120.400 0.014 0.000 2.443 360 K HA 0.332 4.652 4.320 0.001 0.000 0.252 360 K C -1.447 175.235 176.600 0.137 0.000 0.933 360 K CA -0.731 55.586 56.287 0.051 0.000 0.792 360 K CB 1.555 34.069 32.500 0.024 0.000 1.185 360 K HN 0.309 nan 8.250 nan 0.000 0.425 361 F N 4.572 124.513 119.950 -0.015 0.000 2.375 361 F HA 0.334 4.862 4.527 0.001 0.000 0.362 361 F C -0.929 174.823 175.800 -0.080 0.000 1.129 361 F CA -0.678 57.297 58.000 -0.042 0.000 1.154 361 F CB 0.566 39.562 39.000 -0.007 0.000 1.205 361 F HN 0.513 nan 8.300 nan 0.000 0.513 362 D N 8.476 128.603 120.400 -0.455 0.000 2.337 362 D HA 0.303 4.944 4.640 0.001 0.000 0.238 362 D C -2.275 173.621 176.300 -0.673 0.000 1.331 362 D CA -1.844 51.807 54.000 -0.583 0.000 0.967 362 D CB 1.775 42.421 40.800 -0.258 0.000 1.382 362 D HN 0.165 nan 8.370 nan 0.000 0.549 363 P HA -0.148 nan 4.420 nan 0.000 0.217 363 P C 1.142 177.751 177.300 -1.153 0.000 1.148 363 P CA 0.909 63.443 63.100 -0.943 0.000 0.834 363 P CB 0.431 31.332 31.700 -1.332 0.000 0.783 364 E N -0.528 118.973 120.200 -1.166 0.000 2.160 364 E HA -0.166 4.185 4.350 0.001 0.000 0.195 364 E C 1.742 177.952 176.600 -0.650 0.000 0.991 364 E CA 0.681 56.364 56.400 -1.195 0.000 0.810 364 E CB -0.567 28.911 29.700 -0.370 0.000 0.742 364 E HN 0.216 nan 8.360 nan 0.000 0.466 365 L N 0.184 121.155 121.223 -0.420 0.000 2.261 365 L HA -0.189 4.151 4.340 0.001 0.000 0.216 365 L C 1.962 178.733 176.870 -0.166 0.000 1.114 365 L CA 0.734 55.444 54.840 -0.216 0.000 0.777 365 L CB -0.191 41.769 42.059 -0.165 0.000 0.910 365 L HN 0.223 nan 8.230 nan 0.000 0.440 366 L N -2.283 118.806 121.223 -0.224 0.000 2.616 366 L HA 0.051 4.392 4.340 0.001 0.000 0.229 366 L C 1.894 178.898 176.870 0.225 0.000 1.110 366 L CA -0.329 54.476 54.840 -0.058 0.000 0.884 366 L CB -0.115 41.825 42.059 -0.198 0.000 1.115 366 L HN 0.085 nan 8.230 nan 0.000 0.481 367 F N 1.416 121.427 119.950 0.101 0.000 2.269 367 F HA -0.157 4.371 4.527 0.002 0.000 0.301 367 F C 2.141 178.018 175.800 0.128 0.000 1.082 367 F CA 0.745 58.833 58.000 0.146 0.000 1.360 367 F CB -0.727 38.354 39.000 0.135 0.000 1.041 367 F HN 0.370 nan 8.300 nan 0.000 0.512 368 N N -0.593 118.273 118.700 0.278 0.000 2.238 368 N HA -0.009 4.732 4.740 0.001 0.000 0.222 368 N C -0.015 175.584 175.510 0.147 0.000 1.133 368 N CA 0.095 53.257 53.050 0.187 0.000 0.854 368 N CB 0.024 38.602 38.487 0.151 0.000 1.041 368 N HN 0.130 nan 8.380 nan 0.000 0.510 369 Q N 0.305 120.202 119.800 0.161 0.000 2.306 369 Q HA 0.339 4.680 4.340 0.001 0.000 0.269 369 Q C -0.537 175.559 176.000 0.160 0.000 1.053 369 Q CA -0.455 55.426 55.803 0.130 0.000 0.879 369 Q CB 1.490 30.283 28.738 0.091 0.000 1.344 369 Q HN 0.292 nan 8.270 nan 0.000 0.464 370 Q N 0.847 120.731 119.800 0.140 0.000 2.322 370 Q HA 0.530 4.871 4.340 0.001 0.000 0.256 370 Q C -1.234 174.884 176.000 0.197 0.000 0.960 370 Q CA -0.042 55.844 55.803 0.138 0.000 0.934 370 Q CB 0.705 29.498 28.738 0.091 0.000 1.200 370 Q HN 0.364 nan 8.270 nan 0.000 0.435 371 F N 1.291 121.204 119.950 -0.062 0.000 2.650 371 F HA 0.195 4.723 4.527 0.001 0.000 0.310 371 F C -1.527 174.105 175.800 -0.279 0.000 1.112 371 F CA -0.796 57.090 58.000 -0.191 0.000 0.986 371 F CB 1.778 40.607 39.000 -0.285 0.000 1.285 371 F HN 0.282 nan 8.300 nan 0.000 0.440 372 Q N 4.979 124.238 119.800 -0.901 0.000 2.340 372 Q HA 0.220 4.561 4.340 0.001 0.000 0.259 372 Q C -1.318 174.220 176.000 -0.770 0.000 0.964 372 Q CA -0.393 55.053 55.803 -0.595 0.000 0.900 372 Q CB 1.166 29.668 28.738 -0.393 0.000 1.228 372 Q HN 0.631 nan 8.270 nan 0.000 0.449 373 Y N 3.034 123.261 120.300 -0.122 0.000 2.623 373 Y HA 0.080 4.630 4.550 0.001 0.000 0.341 373 Y C 0.696 176.573 175.900 -0.038 0.000 1.292 373 Y CA -0.050 58.055 58.100 0.009 0.000 1.840 373 Y CB 0.042 38.581 38.460 0.132 0.000 1.865 373 Y HN 0.403 nan 8.280 nan 0.000 0.440 374 Q N 0.004 119.782 119.800 -0.037 0.000 2.633 374 Q HA 0.557 4.898 4.340 0.001 0.000 0.289 374 Q C -1.990 173.963 176.000 -0.080 0.000 0.940 374 Q CA -1.275 54.509 55.803 -0.033 0.000 0.785 374 Q CB 2.138 30.854 28.738 -0.037 0.000 1.467 374 Q HN 0.277 nan 8.270 nan 0.000 0.401 375 N N -0.447 118.217 118.700 -0.059 0.000 2.504 375 N HA 0.573 5.314 4.740 0.001 0.000 0.268 375 N C -2.237 173.226 175.510 -0.078 0.000 1.184 375 N CA -0.498 52.518 53.050 -0.057 0.000 0.875 375 N CB 2.413 40.884 38.487 -0.026 0.000 1.630 375 N HN 0.620 nan 8.380 nan 0.000 0.486 376 R N 2.751 123.203 120.500 -0.081 0.000 2.532 376 R HA 0.525 4.866 4.340 0.001 0.000 0.297 376 R C -1.004 175.360 176.300 0.108 0.000 0.984 376 R CA -0.583 55.423 56.100 -0.158 0.000 0.884 376 R CB 0.639 30.767 30.300 -0.287 0.000 1.182 376 R HN 0.536 nan 8.270 nan 0.000 0.442 377 I N 3.738 124.574 120.570 0.444 0.000 2.587 377 I HA 0.186 4.356 4.170 0.001 0.000 0.284 377 I C 0.532 176.858 176.117 0.348 0.000 1.134 377 I CA 0.014 61.546 61.300 0.387 0.000 1.410 377 I CB 0.465 38.733 38.000 0.446 0.000 1.392 377 I HN 0.710 nan 8.210 nan 0.000 0.545 378 A N 4.929 127.821 122.820 0.119 0.000 2.363 378 A HA 0.234 4.554 4.320 0.001 0.000 0.270 378 A C 1.372 178.853 177.584 -0.172 0.000 1.121 378 A CA -0.040 51.970 52.037 -0.046 0.000 0.800 378 A CB 0.649 19.462 19.000 -0.312 0.000 1.052 378 A HN 0.827 nan 8.150 nan 0.000 0.493 379 S N 1.457 117.068 115.700 -0.148 0.000 2.380 379 S HA -0.223 4.247 4.470 0.001 0.000 0.229 379 S C 1.576 176.015 174.600 -0.269 0.000 1.043 379 S CA 2.483 60.498 58.200 -0.307 0.000 1.038 379 S CB -0.359 62.832 63.200 -0.014 0.000 0.872 379 S HN 0.800 nan 8.310 nan 0.000 0.456 380 E N 0.024 120.080 120.200 -0.241 0.000 2.204 380 E HA -0.009 4.341 4.350 0.001 0.000 0.194 380 E C 1.570 178.021 176.600 -0.249 0.000 0.989 380 E CA 0.841 57.089 56.400 -0.253 0.000 0.824 380 E CB -0.328 29.186 29.700 -0.310 0.000 0.756 380 E HN 0.599 nan 8.360 nan 0.000 0.477 381 F N 2.011 121.544 119.950 -0.697 0.000 2.102 381 F HA -0.160 4.368 4.527 0.001 0.000 0.298 381 F C 1.958 177.490 175.800 -0.448 0.000 1.105 381 F CA 1.295 58.957 58.000 -0.562 0.000 1.239 381 F CB -0.605 37.982 39.000 -0.689 0.000 0.991 381 F HN -0.001 nan 8.300 nan 0.000 0.474 382 N N 0.044 118.203 118.700 -0.902 0.000 2.036 382 N HA -0.192 4.549 4.740 0.001 0.000 0.195 382 N C 1.740 176.868 175.510 -0.637 0.000 1.037 382 N CA 2.514 54.624 53.050 -1.566 0.000 0.855 382 N CB -0.775 36.956 38.487 -1.260 0.000 1.033 382 N HN 0.319 nan 8.380 nan 0.000 0.423 383 T N 1.438 115.752 114.554 -0.400 0.000 2.684 383 T HA -0.142 4.208 4.350 0.001 0.000 0.267 383 T C 1.911 176.558 174.700 -0.087 0.000 1.036 383 T CA 1.707 63.609 62.100 -0.330 0.000 1.148 383 T CB -0.466 68.315 68.868 -0.145 0.000 0.863 383 T HN 0.444 nan 8.240 nan 0.000 0.436 384 L N -1.166 120.037 121.223 -0.033 0.000 2.191 384 L HA 0.098 4.439 4.340 0.001 0.000 0.212 384 L C 1.959 178.882 176.870 0.087 0.000 1.103 384 L CA 1.500 56.382 54.840 0.070 0.000 0.769 384 L CB -1.206 40.894 42.059 0.067 0.000 0.908 384 L HN 0.165 nan 8.230 nan 0.000 0.438 385 Y N -0.523 119.644 120.300 -0.222 0.000 2.471 385 Y HA 0.081 4.632 4.550 0.001 0.000 0.286 385 Y C 0.560 176.102 175.900 -0.596 0.000 1.188 385 Y CA -0.299 57.380 58.100 -0.702 0.000 1.286 385 Y CB -0.236 37.789 38.460 -0.726 0.000 1.072 385 Y HN 0.270 nan 8.280 nan 0.000 0.517 386 H N -0.571 118.382 119.070 -0.194 0.000 3.195 386 H HA -0.033 4.524 4.556 0.001 0.000 0.241 386 H C -0.587 174.674 175.328 -0.111 0.000 1.823 386 H CA -0.436 55.450 56.048 -0.270 0.000 1.466 386 H CB -0.872 28.712 29.762 -0.297 0.000 1.819 386 H HN 0.254 nan 8.280 nan 0.000 0.575 387 W N 1.423 122.700 121.300 -0.037 0.000 2.136 387 W HA 0.117 4.778 4.660 0.001 0.000 0.436 387 W C 0.581 177.164 176.519 0.106 0.000 0.624 387 W CA -0.744 56.651 57.345 0.082 0.000 2.276 387 W CB -1.410 28.178 29.460 0.215 0.000 1.277 387 W HN 0.737 nan 8.180 nan 0.000 0.595 388 H N 0.768 120.089 119.070 0.419 0.000 2.390 388 H HA -0.170 4.387 4.556 0.001 0.000 0.298 388 H C -0.500 174.984 175.328 0.260 0.000 1.106 388 H CA 1.699 57.931 56.048 0.306 0.000 1.297 388 H CB -1.237 28.692 29.762 0.278 0.000 1.375 388 H HN 0.032 nan 8.280 nan 0.000 0.509 389 P HA -0.117 nan 4.420 nan 0.000 0.225 389 P C 1.106 178.530 177.300 0.207 0.000 1.148 389 P CA 0.928 64.163 63.100 0.225 0.000 0.779 389 P CB 0.006 31.785 31.700 0.132 0.000 0.780 390 L N -1.613 119.753 121.223 0.237 0.000 2.127 390 L HA -0.145 4.196 4.340 0.001 0.000 0.211 390 L C 1.121 178.106 176.870 0.191 0.000 1.089 390 L CA 0.678 55.645 54.840 0.211 0.000 0.757 390 L CB -0.781 41.445 42.059 0.277 0.000 0.899 390 L HN 0.017 nan 8.230 nan 0.000 0.434 391 L N 1.327 122.681 121.223 0.220 0.000 2.455 391 L HA 0.085 4.425 4.340 0.001 0.000 0.272 391 L C -1.784 175.152 176.870 0.110 0.000 1.174 391 L CA -1.443 53.503 54.840 0.177 0.000 0.869 391 L CB -0.024 42.278 42.059 0.406 0.000 1.130 391 L HN -0.093 nan 8.230 nan 0.000 0.474 392 P HA 0.118 nan 4.420 nan 0.000 0.279 392 P C -0.439 176.649 177.300 -0.353 0.000 1.282 392 P CA -0.449 62.374 63.100 -0.462 0.000 0.788 392 P CB 1.031 32.310 31.700 -0.702 0.000 1.139 393 D N -1.318 118.832 120.400 -0.417 0.000 2.194 393 D HA -0.004 4.636 4.640 0.001 0.000 0.204 393 D C 0.768 176.978 176.300 -0.148 0.000 0.964 393 D CA 1.527 55.444 54.000 -0.139 0.000 0.846 393 D CB -0.049 40.660 40.800 -0.152 0.000 0.962 393 D HN 0.521 nan 8.370 nan 0.000 0.490 394 T N -2.357 111.956 114.554 -0.401 0.000 2.900 394 T HA 0.567 4.918 4.350 0.001 0.000 0.303 394 T C -0.799 173.530 174.700 -0.618 0.000 1.142 394 T CA -0.902 60.982 62.100 -0.360 0.000 1.007 394 T CB 1.301 70.072 68.868 -0.162 0.000 1.156 394 T HN -0.219 nan 8.240 nan 0.000 0.490 395 F N 2.216 121.987 119.950 -0.299 0.000 2.334 395 F HA 0.436 4.964 4.527 0.001 0.000 0.367 395 F C 0.357 176.077 175.800 -0.133 0.000 1.115 395 F CA -1.054 56.729 58.000 -0.362 0.000 1.116 395 F CB 0.878 39.246 39.000 -1.053 0.000 1.230 395 F HN 0.433 nan 8.300 nan 0.000 0.484 396 N N 5.239 123.951 118.700 0.020 0.000 2.462 396 N HA 0.317 5.058 4.740 0.001 0.000 0.242 396 N C -0.737 174.728 175.510 -0.075 0.000 1.010 396 N CA -0.199 52.825 53.050 -0.042 0.000 0.939 396 N CB 1.246 39.687 38.487 -0.077 0.000 1.127 396 N HN 0.318 nan 8.380 nan 0.000 0.509 397 I N 1.076 121.556 120.570 -0.150 0.000 2.389 397 I HA 0.251 4.422 4.170 0.001 0.000 0.288 397 I C 1.153 177.062 176.117 -0.347 0.000 0.999 397 I CA -0.318 60.759 61.300 -0.372 0.000 1.129 397 I CB 0.763 38.404 38.000 -0.598 0.000 1.288 397 I HN 0.644 nan 8.210 nan 0.000 0.444 398 E N 3.789 123.842 120.200 -0.245 0.000 3.211 398 E HA -0.343 4.008 4.350 0.001 0.000 0.393 398 E C 0.251 176.810 176.600 -0.068 0.000 1.515 398 E CA 2.364 58.703 56.400 -0.102 0.000 1.385 398 E CB -0.426 29.275 29.700 0.002 0.000 1.616 398 E HN 0.858 nan 8.360 nan 0.000 0.489 399 D N 0.617 121.004 120.400 -0.022 0.000 2.350 399 D HA 0.016 4.657 4.640 0.001 0.000 0.213 399 D C 0.234 176.487 176.300 -0.079 0.000 1.031 399 D CA 0.454 54.435 54.000 -0.032 0.000 0.861 399 D CB 0.048 40.850 40.800 0.002 0.000 0.926 399 D HN 0.121 nan 8.370 nan 0.000 0.520 400 Q N 0.619 120.340 119.800 -0.132 0.000 2.227 400 Q HA 0.394 4.735 4.340 0.001 0.000 0.245 400 Q C -0.425 175.347 176.000 -0.381 0.000 0.926 400 Q CA -0.090 55.527 55.803 -0.309 0.000 0.895 400 Q CB 1.738 30.177 28.738 -0.498 0.000 1.230 400 Q HN 0.281 nan 8.270 nan 0.000 0.450 401 E N 1.967 121.919 120.200 -0.413 0.000 2.267 401 E HA 0.255 4.606 4.350 0.001 0.000 0.248 401 E C -1.206 175.247 176.600 -0.246 0.000 0.899 401 E CA -0.287 55.953 56.400 -0.267 0.000 0.764 401 E CB 0.881 30.489 29.700 -0.152 0.000 1.227 401 E HN 0.377 nan 8.360 nan 0.000 0.421 402 Y N 1.254 121.595 120.300 0.067 0.000 2.316 402 Y HA 0.112 4.663 4.550 0.001 0.000 0.331 402 Y C 1.292 177.288 175.900 0.159 0.000 1.083 402 Y CA -0.588 57.603 58.100 0.152 0.000 1.206 402 Y CB 1.060 39.682 38.460 0.271 0.000 1.195 402 Y HN 0.373 nan 8.280 nan 0.000 0.497 403 S N 1.646 117.551 115.700 0.342 0.000 2.617 403 S HA 0.147 4.618 4.470 0.001 0.000 0.259 403 S C 0.878 175.744 174.600 0.442 0.000 1.301 403 S CA -0.436 57.964 58.200 0.334 0.000 0.984 403 S CB 0.305 63.674 63.200 0.282 0.000 0.954 403 S HN 0.602 nan 8.310 nan 0.000 0.572 404 F N 0.639 120.801 119.950 0.352 0.000 2.102 404 F HA -0.054 4.474 4.527 0.001 0.000 0.298 404 F C 3.082 179.069 175.800 0.311 0.000 1.105 404 F CA 1.806 60.044 58.000 0.398 0.000 1.239 404 F CB -0.544 38.641 39.000 0.308 0.000 0.991 404 F HN 0.599 nan 8.300 nan 0.000 0.474 405 K N 0.197 120.857 120.400 0.433 0.000 2.097 405 K HA -0.194 4.126 4.320 0.001 0.000 0.206 405 K C 1.861 178.624 176.600 0.272 0.000 1.049 405 K CA 1.851 58.322 56.287 0.305 0.000 0.933 405 K CB -0.509 32.130 32.500 0.232 0.000 0.717 405 K HN 0.510 nan 8.250 nan 0.000 0.442 406 Q N -1.955 118.025 119.800 0.300 0.000 2.245 406 Q HA 0.074 4.414 4.340 0.001 0.000 0.201 406 Q C 1.848 177.989 176.000 0.235 0.000 0.955 406 Q CA 1.492 57.462 55.803 0.279 0.000 0.870 406 Q CB -0.081 28.884 28.738 0.378 0.000 0.945 406 Q HN 0.487 nan 8.270 nan 0.000 0.461 407 F N 0.621 120.607 119.950 0.060 0.000 2.270 407 F HA 0.073 4.600 4.527 0.001 0.000 0.295 407 F C 0.454 176.186 175.800 -0.113 0.000 1.087 407 F CA -0.047 57.881 58.000 -0.120 0.000 1.365 407 F CB 0.208 39.026 39.000 -0.302 0.000 1.056 407 F HN -0.057 nan 8.300 nan 0.000 0.506 408 L N 0.971 122.227 121.223 0.056 0.000 2.540 408 L HA -0.091 4.250 4.340 0.001 0.000 0.276 408 L C -0.237 176.656 176.870 0.039 0.000 1.212 408 L CA 0.729 55.555 54.840 -0.023 0.000 0.893 408 L CB -0.785 41.362 42.059 0.147 0.000 1.138 408 L HN 0.347 nan 8.230 nan 0.000 0.491 409 Y N 1.021 121.292 120.300 -0.048 0.000 4.079 409 Y HA -0.296 4.255 4.550 0.001 0.000 0.223 409 Y C 0.724 176.600 175.900 -0.040 0.000 1.155 409 Y CA 0.685 58.785 58.100 -0.000 0.000 1.805 409 Y CB -1.585 36.911 38.460 0.059 0.000 1.571 409 Y HN 0.705 nan 8.280 nan 0.000 0.654 410 N N 0.933 119.598 118.700 -0.058 0.000 2.976 410 N HA 0.208 4.949 4.740 0.001 0.000 0.255 410 N C 0.516 175.916 175.510 -0.184 0.000 1.312 410 N CA -0.175 52.812 53.050 -0.104 0.000 0.897 410 N CB 0.122 38.537 38.487 -0.120 0.000 1.184 410 N HN 0.172 nan 8.380 nan 0.000 0.497 411 N N -0.117 118.498 118.700 -0.142 0.000 2.453 411 N HA -0.126 4.615 4.740 0.001 0.000 0.183 411 N C 1.616 177.033 175.510 -0.156 0.000 1.041 411 N CA 0.604 53.568 53.050 -0.142 0.000 0.900 411 N CB 0.124 38.518 38.487 -0.155 0.000 0.961 411 N HN 0.566 nan 8.380 nan 0.000 0.443 412 S N 0.491 116.099 115.700 -0.152 0.000 2.423 412 S HA -0.022 4.449 4.470 0.001 0.000 0.231 412 S C 1.987 176.531 174.600 -0.093 0.000 1.014 412 S CA 0.369 58.494 58.200 -0.126 0.000 0.965 412 S CB -0.458 62.683 63.200 -0.099 0.000 0.785 412 S HN 0.238 nan 8.310 nan 0.000 0.495 413 I N 0.850 121.370 120.570 -0.085 0.000 2.163 413 I HA -0.152 4.019 4.170 0.001 0.000 0.243 413 I C 2.531 178.738 176.117 0.149 0.000 1.085 413 I CA 1.137 62.456 61.300 0.032 0.000 1.347 413 I CB -0.470 37.472 38.000 -0.096 0.000 1.044 413 I HN 0.307 nan 8.210 nan 0.000 0.408 414 L N 0.478 121.631 121.223 -0.117 0.000 2.012 414 L HA -0.207 4.134 4.340 0.001 0.000 0.210 414 L C 2.214 178.931 176.870 -0.256 0.000 1.073 414 L CA 1.961 56.498 54.840 -0.506 0.000 0.748 414 L CB -0.511 41.219 42.059 -0.549 0.000 0.891 414 L HN 0.088 nan 8.230 nan 0.000 0.431 415 L N -0.520 120.590 121.223 -0.189 0.000 2.156 415 L HA -0.133 4.207 4.340 0.001 0.000 0.208 415 L C 2.514 179.347 176.870 -0.062 0.000 1.095 415 L CA 1.719 56.467 54.840 -0.153 0.000 0.770 415 L CB -0.755 41.176 42.059 -0.214 0.000 0.914 415 L HN 0.473 nan 8.230 nan 0.000 0.439 416 E N -1.200 118.953 120.200 -0.079 0.000 2.031 416 E HA -0.227 4.124 4.350 0.001 0.000 0.193 416 E C 2.076 178.600 176.600 -0.126 0.000 0.994 416 E CA 1.329 57.649 56.400 -0.132 0.000 0.800 416 E CB -0.046 29.518 29.700 -0.228 0.000 0.752 416 E HN 0.545 nan 8.360 nan 0.000 0.447 417 H N -0.307 118.838 119.070 0.124 0.000 2.448 417 H HA 0.181 4.737 4.556 0.001 0.000 0.292 417 H C 1.114 176.513 175.328 0.118 0.000 1.035 417 H CA 0.999 57.145 56.048 0.164 0.000 1.349 417 H CB 0.307 30.249 29.762 0.300 0.000 1.425 417 H HN 0.351 nan 8.280 nan 0.000 0.539 418 G N 0.332 109.229 108.800 0.163 0.000 2.730 418 G HA2 -0.226 3.735 3.960 0.001 0.000 0.686 418 G HA3 -0.226 3.735 3.960 0.001 0.000 0.686 418 G C 0.362 175.285 174.900 0.039 0.000 1.343 418 G CA -0.128 45.020 45.100 0.080 0.000 0.826 418 G HN 0.178 nan 8.290 nan 0.000 0.582 419 L N 0.920 122.116 121.223 -0.045 0.000 2.093 419 L HA 0.042 4.383 4.340 0.001 0.000 0.208 419 L C 3.214 180.082 176.870 -0.003 0.000 1.085 419 L CA 3.093 57.885 54.840 -0.081 0.000 0.755 419 L CB -0.853 41.113 42.059 -0.156 0.000 0.904 419 L HN 0.845 nan 8.230 nan 0.000 0.435 420 T N -1.628 112.925 114.554 -0.002 0.000 2.652 420 T HA -0.224 4.127 4.350 0.001 0.000 0.267 420 T C 1.867 176.588 174.700 0.035 0.000 1.039 420 T CA 1.148 63.252 62.100 0.005 0.000 1.153 420 T CB -0.158 68.712 68.868 0.002 0.000 0.863 420 T HN 0.240 nan 8.240 nan 0.000 0.428 421 Q N -0.091 119.754 119.800 0.075 0.000 2.084 421 Q HA -0.012 4.329 4.340 0.001 0.000 0.202 421 Q C 2.140 178.139 176.000 -0.002 0.000 0.978 421 Q CA 1.252 57.093 55.803 0.065 0.000 0.844 421 Q CB -0.585 28.233 28.738 0.134 0.000 0.898 421 Q HN 0.480 nan 8.270 nan 0.000 0.426 422 F N 0.019 119.844 119.950 -0.208 0.000 2.065 422 F HA -0.238 4.290 4.527 0.001 0.000 0.298 422 F C 2.491 178.078 175.800 -0.355 0.000 1.112 422 F CA 1.022 58.762 58.000 -0.433 0.000 1.212 422 F CB -0.764 38.025 39.000 -0.352 0.000 0.975 422 F HN -0.135 nan 8.300 nan 0.000 0.476 423 V N -0.206 119.718 119.914 0.016 0.000 2.261 423 V HA -0.299 3.822 4.120 0.001 0.000 0.246 423 V C 2.190 178.307 176.094 0.039 0.000 1.047 423 V CA 2.172 64.492 62.300 0.033 0.000 1.015 423 V CB -0.663 31.154 31.823 -0.009 0.000 0.642 423 V HN 0.317 nan 8.190 nan 0.000 0.446 424 E N 0.044 120.252 120.200 0.013 0.000 2.085 424 E HA -0.197 4.154 4.350 0.001 0.000 0.194 424 E C 2.401 179.015 176.600 0.023 0.000 0.994 424 E CA 1.758 58.177 56.400 0.033 0.000 0.801 424 E CB -0.214 29.500 29.700 0.023 0.000 0.743 424 E HN 0.530 nan 8.360 nan 0.000 0.453 425 S N 0.160 115.820 115.700 -0.067 0.000 2.357 425 S HA -0.058 4.413 4.470 0.001 0.000 0.221 425 S C 1.612 176.268 174.600 0.093 0.000 1.031 425 S CA 0.609 58.761 58.200 -0.081 0.000 0.982 425 S CB -0.157 62.877 63.200 -0.278 0.000 0.853 425 S HN 0.165 nan 8.310 nan 0.000 0.458 426 F N 2.457 122.410 119.950 0.005 0.000 2.234 426 F HA -0.028 4.500 4.527 0.001 0.000 0.299 426 F C 2.677 178.547 175.800 0.117 0.000 1.087 426 F CA 0.582 58.635 58.000 0.088 0.000 1.340 426 F CB -1.736 37.361 39.000 0.163 0.000 1.031 426 F HN 0.153 nan 8.300 nan 0.000 0.500 427 T N -0.480 114.241 114.554 0.278 0.000 2.867 427 T HA -0.140 4.211 4.350 0.001 0.000 0.268 427 T C 2.086 176.889 174.700 0.172 0.000 1.057 427 T CA 1.077 63.295 62.100 0.197 0.000 1.136 427 T CB -0.119 68.836 68.868 0.144 0.000 0.874 427 T HN 0.219 nan 8.240 nan 0.000 0.466 428 R N 0.491 121.082 120.500 0.150 0.000 2.246 428 R HA 0.175 4.516 4.340 0.001 0.000 0.199 428 R C 1.230 177.588 176.300 0.096 0.000 0.984 428 R CA 0.116 56.281 56.100 0.108 0.000 1.015 428 R CB 0.198 30.542 30.300 0.072 0.000 0.930 428 R HN 0.386 nan 8.270 nan 0.000 0.475 429 Q N 1.685 121.561 119.800 0.126 0.000 2.296 429 Q HA 0.156 4.497 4.340 0.001 0.000 0.257 429 Q C -0.818 175.234 176.000 0.086 0.000 0.942 429 Q CA -0.449 55.408 55.803 0.091 0.000 0.939 429 Q CB 0.957 29.756 28.738 0.102 0.000 1.198 429 Q HN 0.006 nan 8.270 nan 0.000 0.429 430 I N 3.543 124.160 120.570 0.079 0.000 2.648 430 I HA 0.186 4.357 4.170 0.001 0.000 0.284 430 I C -0.365 175.854 176.117 0.170 0.000 1.153 430 I CA 0.535 61.906 61.300 0.119 0.000 1.426 430 I CB 0.829 38.917 38.000 0.147 0.000 1.381 430 I HN 0.747 nan 8.210 nan 0.000 0.571 431 A N 5.378 128.292 122.820 0.157 0.000 2.252 431 A HA 0.783 5.104 4.320 0.001 0.000 0.305 431 A C 0.254 177.967 177.584 0.215 0.000 1.097 431 A CA -0.109 52.040 52.037 0.187 0.000 0.849 431 A CB 0.132 19.208 19.000 0.127 0.000 1.142 431 A HN 0.892 nan 8.150 nan 0.000 0.499 432 G N -0.547 108.378 108.800 0.208 0.000 2.476 432 G HA2 0.482 4.443 3.960 0.001 0.000 0.286 432 G HA3 0.482 4.443 3.960 0.001 0.000 0.286 432 G C 0.059 174.876 174.900 -0.138 0.000 1.177 432 G CA -0.632 44.439 45.100 -0.048 0.000 0.870 432 G HN 0.845 nan 8.290 nan 0.000 0.528 433 R N 0.850 121.200 120.500 -0.249 0.000 2.491 433 R HA 0.249 4.590 4.340 0.001 0.000 0.283 433 R C 0.820 177.028 176.300 -0.153 0.000 1.072 433 R CA -0.486 55.475 56.100 -0.232 0.000 1.048 433 R CB 0.928 31.082 30.300 -0.242 0.000 0.983 433 R HN 0.257 nan 8.270 nan 0.000 0.450 434 V N 3.700 123.513 119.914 -0.167 0.000 2.374 434 V HA 0.063 4.184 4.120 0.001 0.000 0.241 434 V C 1.095 177.169 176.094 -0.033 0.000 1.034 434 V CA 1.522 63.787 62.300 -0.058 0.000 1.037 434 V CB -0.414 31.388 31.823 -0.035 0.000 0.682 434 V HN 0.907 nan 8.190 nan 0.000 0.463 435 A N -0.538 122.258 122.820 -0.039 0.000 2.249 435 A HA 0.532 4.853 4.320 0.001 0.000 0.281 435 A C 1.555 179.094 177.584 -0.075 0.000 1.127 435 A CA 0.565 52.576 52.037 -0.042 0.000 0.833 435 A CB -0.245 18.743 19.000 -0.020 0.000 1.140 435 A HN 1.362 nan 8.150 nan 0.000 0.502 436 G N -2.152 106.605 108.800 -0.071 0.000 2.217 436 G HA2 0.349 4.309 3.960 0.001 0.000 0.246 436 G HA3 0.349 4.309 3.960 0.001 0.000 0.246 436 G C 1.622 176.482 174.900 -0.067 0.000 0.990 436 G CA 0.649 45.704 45.100 -0.075 0.000 0.627 436 G HN 3.074 nan 8.290 nan 0.000 0.522 437 G N -0.666 108.098 108.800 -0.061 0.000 2.690 437 G HA2 0.321 4.282 3.960 0.001 0.000 0.686 437 G HA3 0.321 4.282 3.960 0.001 0.000 0.686 437 G C 0.245 175.121 174.900 -0.040 0.000 1.277 437 G CA 0.328 45.399 45.100 -0.049 0.000 0.799 437 G HN 1.675 nan 8.290 nan 0.000 0.613 438 R N -0.942 119.545 120.500 -0.023 0.000 3.333 438 R HA -0.217 4.123 4.340 0.001 0.000 0.256 438 R C 0.483 176.779 176.300 -0.007 0.000 1.010 438 R CA 1.074 57.167 56.100 -0.011 0.000 0.680 438 R CB -1.303 28.987 30.300 -0.017 0.000 1.102 438 R HN 0.712 nan 8.270 nan 0.000 0.440 439 N N -0.616 118.088 118.700 0.007 0.000 2.232 439 N HA 0.097 4.837 4.740 0.001 0.000 0.240 439 N C -0.871 174.687 175.510 0.081 0.000 1.307 439 N CA -0.022 53.040 53.050 0.020 0.000 0.859 439 N CB 1.178 39.643 38.487 -0.037 0.000 1.260 439 N HN 0.061 nan 8.380 nan 0.000 0.501 440 V N 2.998 122.965 119.914 0.089 0.000 2.427 440 V HA 0.341 4.461 4.120 0.001 0.000 0.268 440 V C -2.022 174.118 176.094 0.077 0.000 1.046 440 V CA -1.371 61.003 62.300 0.124 0.000 0.970 440 V CB 0.879 32.783 31.823 0.136 0.000 1.001 440 V HN 0.113 nan 8.190 nan 0.000 0.476 441 P HA 0.124 nan 4.420 nan 0.000 0.268 441 P C 1.063 178.311 177.300 -0.086 0.000 1.205 441 P CA -0.171 62.931 63.100 0.003 0.000 0.771 441 P CB 0.526 32.222 31.700 -0.006 0.000 0.858 442 I N 1.982 122.496 120.570 -0.092 0.000 2.361 442 I HA -0.217 3.953 4.170 0.001 0.000 0.251 442 I C 2.064 178.083 176.117 -0.163 0.000 1.133 442 I CA 1.579 62.822 61.300 -0.095 0.000 1.413 442 I CB -2.208 35.757 38.000 -0.059 0.000 1.073 442 I HN 0.335 nan 8.210 nan 0.000 0.424 443 A N 1.301 123.931 122.820 -0.316 0.000 2.024 443 A HA -0.107 4.213 4.320 0.001 0.000 0.220 443 A C 1.965 179.371 177.584 -0.297 0.000 1.164 443 A CA 2.001 53.783 52.037 -0.425 0.000 0.643 443 A CB -0.702 17.659 19.000 -1.065 0.000 0.806 443 A HN 0.423 nan 8.150 nan 0.000 0.451 444 V N -1.904 117.855 119.914 -0.258 0.000 3.085 444 V HA 0.113 4.234 4.120 0.001 0.000 0.345 444 V C 1.478 177.477 176.094 -0.158 0.000 1.397 444 V CA 0.493 62.700 62.300 -0.156 0.000 1.165 444 V CB -0.842 30.921 31.823 -0.100 0.000 1.153 444 V HN 0.711 nan 8.190 nan 0.000 0.495 445 Q N 1.876 121.608 119.800 -0.114 0.000 2.152 445 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 445 Q C 2.039 177.999 176.000 -0.067 0.000 0.985 445 Q CA 2.462 58.220 55.803 -0.075 0.000 0.863 445 Q CB -0.575 28.136 28.738 -0.046 0.000 0.904 445 Q HN 0.631 nan 8.270 nan 0.000 0.422 446 A N 1.109 123.892 122.820 -0.063 0.000 1.933 446 A HA -0.089 4.232 4.320 0.001 0.000 0.218 446 A C 2.347 179.896 177.584 -0.059 0.000 1.175 446 A CA 1.502 53.511 52.037 -0.047 0.000 0.628 446 A CB -0.666 18.315 19.000 -0.032 0.000 0.814 446 A HN 0.267 nan 8.150 nan 0.000 0.444 447 V N -0.185 119.673 119.914 -0.094 0.000 2.358 447 V HA -0.206 3.914 4.120 0.001 0.000 0.246 447 V C 3.029 179.047 176.094 -0.126 0.000 1.047 447 V CA 1.817 64.060 62.300 -0.094 0.000 1.035 447 V CB -1.336 30.423 31.823 -0.107 0.000 0.658 447 V HN 0.591 nan 8.190 nan 0.000 0.452 448 A N -0.145 122.526 122.820 -0.248 0.000 1.902 448 A HA -0.266 4.054 4.320 0.001 0.000 0.217 448 A C 2.362 179.977 177.584 0.051 0.000 1.181 448 A CA 2.207 54.230 52.037 -0.022 0.000 0.623 448 A CB -0.496 18.535 19.000 0.051 0.000 0.818 448 A HN 0.515 nan 8.150 nan 0.000 0.443 449 K N -0.361 120.043 120.400 0.007 0.000 2.097 449 K HA -0.067 4.253 4.320 0.001 0.000 0.206 449 K C 2.126 178.704 176.600 -0.036 0.000 1.049 449 K CA 1.101 57.394 56.287 0.010 0.000 0.933 449 K CB -0.306 32.193 32.500 -0.001 0.000 0.717 449 K HN 0.376 nan 8.250 nan 0.000 0.442 450 A N 0.562 123.348 122.820 -0.057 0.000 1.972 450 A HA -0.134 4.186 4.320 0.001 0.000 0.219 450 A C 2.105 179.594 177.584 -0.157 0.000 1.169 450 A CA 1.977 53.969 52.037 -0.074 0.000 0.635 450 A CB -0.500 18.476 19.000 -0.040 0.000 0.810 450 A HN 0.345 nan 8.150 nan 0.000 0.446 451 S N -0.126 115.411 115.700 -0.272 0.000 2.368 451 S HA -0.115 4.356 4.470 0.001 0.000 0.225 451 S C 1.789 176.092 174.600 -0.494 0.000 1.030 451 S CA 1.508 59.339 58.200 -0.614 0.000 0.999 451 S CB -0.464 61.948 63.200 -1.314 0.000 0.844 451 S HN 0.574 nan 8.310 nan 0.000 0.459 452 I N 1.737 122.161 120.570 -0.242 0.000 2.163 452 I HA -0.176 3.995 4.170 0.001 0.000 0.240 452 I C 2.053 178.116 176.117 -0.089 0.000 1.081 452 I CA 1.176 62.448 61.300 -0.047 0.000 1.353 452 I CB -0.470 37.590 38.000 0.100 0.000 1.054 452 I HN 0.138 nan 8.210 nan 0.000 0.407 453 D N 0.594 120.946 120.400 -0.080 0.000 2.123 453 D HA -0.206 4.434 4.640 0.001 0.000 0.196 453 D C 2.254 178.494 176.300 -0.099 0.000 0.992 453 D CA 1.317 55.278 54.000 -0.065 0.000 0.833 453 D CB -0.279 40.495 40.800 -0.044 0.000 0.954 453 D HN 0.433 nan 8.370 nan 0.000 0.455 454 Q N 0.086 119.796 119.800 -0.150 0.000 2.123 454 Q HA -0.022 4.319 4.340 0.001 0.000 0.199 454 Q C 2.301 178.119 176.000 -0.303 0.000 0.966 454 Q CA 0.834 56.533 55.803 -0.174 0.000 0.845 454 Q CB 0.066 28.709 28.738 -0.158 0.000 0.907 454 Q HN 0.078 nan 8.270 nan 0.000 0.439 455 S N 0.722 116.149 115.700 -0.454 0.000 2.374 455 S HA -0.204 4.267 4.470 0.001 0.000 0.227 455 S C 1.790 176.159 174.600 -0.385 0.000 1.037 455 S CA 1.367 59.112 58.200 -0.758 0.000 1.024 455 S CB -0.154 62.702 63.200 -0.573 0.000 0.861 455 S HN 0.327 nan 8.310 nan 0.000 0.456 456 R N 0.780 121.177 120.500 -0.171 0.000 2.073 456 R HA -0.012 4.329 4.340 0.001 0.000 0.229 456 R C 2.385 178.669 176.300 -0.026 0.000 1.120 456 R CA 1.235 57.306 56.100 -0.048 0.000 0.967 456 R CB -0.246 30.046 30.300 -0.014 0.000 0.862 456 R HN 0.483 nan 8.270 nan 0.000 0.436 457 E N 0.486 120.658 120.200 -0.045 0.000 2.118 457 E HA -0.167 4.183 4.350 0.001 0.000 0.195 457 E C 1.642 178.253 176.600 0.019 0.000 0.992 457 E CA 1.272 57.669 56.400 -0.005 0.000 0.804 457 E CB 0.007 29.704 29.700 -0.005 0.000 0.741 457 E HN 0.290 nan 8.360 nan 0.000 0.458 458 M N 0.075 119.666 119.600 -0.015 0.000 2.628 458 M HA 0.039 4.520 4.480 0.001 0.000 0.232 458 M C -0.264 176.135 176.300 0.166 0.000 1.128 458 M CA 0.352 55.691 55.300 0.065 0.000 1.040 458 M CB 0.109 32.742 32.600 0.055 0.000 1.608 458 M HN -0.143 nan 8.290 nan 0.000 0.507 459 K N 0.520 120.992 120.400 0.120 0.000 3.278 459 K HA -0.201 4.120 4.320 0.001 0.000 0.270 459 K C -1.126 175.625 176.600 0.252 0.000 0.955 459 K CA 0.249 56.621 56.287 0.142 0.000 0.723 459 K CB -1.617 30.936 32.500 0.089 0.000 1.382 459 K HN 0.203 nan 8.250 nan 0.000 0.461 460 Y N 1.425 121.768 120.300 0.071 0.000 2.597 460 Y HA -0.015 4.536 4.550 0.001 0.000 0.336 460 Y C 1.641 177.631 175.900 0.149 0.000 1.216 460 Y CA -0.252 57.935 58.100 0.145 0.000 1.463 460 Y CB 0.447 38.991 38.460 0.140 0.000 1.303 460 Y HN 0.227 nan 8.280 nan 0.000 0.576 461 Q N 0.974 120.927 119.800 0.256 0.000 2.500 461 Q HA 0.217 4.557 4.340 0.001 0.000 0.215 461 Q C 0.329 176.475 176.000 0.243 0.000 1.062 461 Q CA -0.302 55.565 55.803 0.107 0.000 0.996 461 Q CB 0.465 29.103 28.738 -0.166 0.000 1.239 461 Q HN 0.792 nan 8.270 nan 0.000 0.578 462 S N -0.235 115.543 115.700 0.130 0.000 2.608 462 S HA 0.021 4.492 4.470 0.001 0.000 0.261 462 S C 0.966 175.703 174.600 0.229 0.000 1.314 462 S CA -0.600 57.693 58.200 0.154 0.000 0.992 462 S CB 0.511 63.752 63.200 0.068 0.000 0.935 462 S HN 0.656 nan 8.310 nan 0.000 0.564 463 L N 1.387 122.712 121.223 0.171 0.000 2.021 463 L HA -0.175 4.166 4.340 0.001 0.000 0.215 463 L C 2.000 178.953 176.870 0.139 0.000 1.074 463 L CA 2.174 57.113 54.840 0.165 0.000 0.760 463 L CB -1.244 40.866 42.059 0.085 0.000 0.889 463 L HN 0.746 nan 8.230 nan 0.000 0.433 464 N N -0.312 118.425 118.700 0.061 0.000 2.244 464 N HA -0.149 4.592 4.740 0.001 0.000 0.183 464 N C 1.731 177.233 175.510 -0.014 0.000 1.016 464 N CA 1.222 54.276 53.050 0.006 0.000 0.866 464 N CB -0.244 38.226 38.487 -0.028 0.000 0.980 464 N HN 0.497 nan 8.380 nan 0.000 0.430 465 E N -0.136 120.047 120.200 -0.027 0.000 2.106 465 E HA -0.121 4.230 4.350 0.001 0.000 0.192 465 E C 1.727 178.234 176.600 -0.155 0.000 0.984 465 E CA 0.786 57.110 56.400 -0.128 0.000 0.806 465 E CB -0.383 29.194 29.700 -0.206 0.000 0.750 465 E HN 0.543 nan 8.360 nan 0.000 0.458 466 Y N 1.020 121.340 120.300 0.035 0.000 2.263 466 Y HA -0.071 4.479 4.550 0.001 0.000 0.292 466 Y C 2.637 178.629 175.900 0.153 0.000 1.130 466 Y CA 1.047 59.215 58.100 0.115 0.000 1.179 466 Y CB -0.010 38.502 38.460 0.087 0.000 0.998 466 Y HN -0.044 nan 8.280 nan 0.000 0.532 467 R N 0.438 121.048 120.500 0.184 0.000 2.080 467 R HA -0.199 4.142 4.340 0.001 0.000 0.236 467 R C 2.142 178.475 176.300 0.056 0.000 1.137 467 R CA 1.843 57.989 56.100 0.077 0.000 0.943 467 R CB -0.313 29.953 30.300 -0.056 0.000 0.846 467 R HN 0.316 nan 8.270 nan 0.000 0.431 468 K N 0.069 120.465 120.400 -0.006 0.000 2.063 468 K HA -0.193 4.128 4.320 0.001 0.000 0.208 468 K C 2.134 178.697 176.600 -0.062 0.000 1.048 468 K CA 1.338 57.593 56.287 -0.053 0.000 0.928 468 K CB -0.175 32.267 32.500 -0.096 0.000 0.713 468 K HN -0.056 nan 8.250 nan 0.000 0.442 469 R N 0.699 121.163 120.500 -0.061 0.000 2.159 469 R HA -0.107 4.233 4.340 0.001 0.000 0.237 469 R C 0.755 176.833 176.300 -0.370 0.000 1.131 469 R CA 1.452 57.437 56.100 -0.192 0.000 0.982 469 R CB -0.233 29.957 30.300 -0.184 0.000 0.868 469 R HN 0.099 nan 8.270 nan 0.000 0.453 470 F N 0.151 120.059 119.950 -0.070 0.000 2.772 470 F HA 0.313 4.841 4.527 0.001 0.000 0.302 470 F C 0.356 176.112 175.800 -0.072 0.000 1.136 470 F CA -0.148 57.793 58.000 -0.098 0.000 1.322 470 F CB 0.416 39.356 39.000 -0.101 0.000 0.967 470 F HN -0.110 nan 8.300 nan 0.000 0.513 471 S N 0.796 116.516 115.700 0.033 0.000 3.635 471 S HA -0.194 4.277 4.470 0.001 0.000 0.328 471 S C -0.087 174.531 174.600 0.030 0.000 1.135 471 S CA 0.283 58.506 58.200 0.037 0.000 0.942 471 S CB -1.992 61.258 63.200 0.084 0.000 0.930 471 S HN 0.308 nan 8.310 nan 0.000 0.512 472 L N 0.250 121.479 121.223 0.010 0.000 2.331 472 L HA 0.499 4.839 4.340 0.001 0.000 0.275 472 L C 0.539 177.355 176.870 -0.090 0.000 1.022 472 L CA -0.911 53.904 54.840 -0.042 0.000 0.812 472 L CB 1.185 43.206 42.059 -0.063 0.000 1.257 472 L HN 0.029 nan 8.230 nan 0.000 0.435 473 K N 2.447 122.773 120.400 -0.124 0.000 2.368 473 K HA 0.244 4.565 4.320 0.001 0.000 0.282 473 K C -2.434 174.028 176.600 -0.231 0.000 1.035 473 K CA -1.278 54.924 56.287 -0.141 0.000 0.973 473 K CB 0.650 33.079 32.500 -0.118 0.000 0.957 473 K HN 0.310 nan 8.250 nan 0.000 0.474 474 P HA 0.064 nan 4.420 nan 0.000 0.268 474 P C -0.644 176.540 177.300 -0.193 0.000 1.205 474 P CA 0.071 63.063 63.100 -0.179 0.000 0.771 474 P CB 0.094 31.735 31.700 -0.098 0.000 0.858 475 Y N 0.501 120.751 120.300 -0.083 0.000 2.511 475 Y HA 0.027 4.578 4.550 0.001 0.000 0.332 475 Y C 2.111 177.933 175.900 -0.130 0.000 1.177 475 Y CA 0.440 58.475 58.100 -0.108 0.000 1.422 475 Y CB 0.257 38.630 38.460 -0.145 0.000 1.271 475 Y HN 0.407 nan 8.280 nan 0.000 0.550 476 T N -2.481 112.121 114.554 0.081 0.000 3.040 476 T HA 0.211 4.561 4.350 0.001 0.000 0.250 476 T C 0.145 174.825 174.700 -0.033 0.000 1.058 476 T CA 0.288 62.389 62.100 0.003 0.000 0.988 476 T CB -0.063 68.812 68.868 0.012 0.000 0.993 476 T HN 0.517 nan 8.240 nan 0.000 0.519 477 S N -0.954 114.708 115.700 -0.063 0.000 2.587 477 S HA 0.574 5.045 4.470 0.001 0.000 0.269 477 S C -0.258 174.225 174.600 -0.196 0.000 1.154 477 S CA -0.925 57.218 58.200 -0.095 0.000 0.824 477 S CB 0.218 63.425 63.200 0.011 0.000 1.118 477 S HN -0.080 nan 8.310 nan 0.000 0.462 478 F N 1.086 121.005 119.950 -0.052 0.000 2.259 478 F HA 0.135 4.663 4.527 0.001 0.000 0.298 478 F C 2.523 178.248 175.800 -0.125 0.000 1.088 478 F CA 1.297 59.237 58.000 -0.099 0.000 1.358 478 F CB -0.285 38.681 39.000 -0.057 0.000 1.040 478 F HN 0.699 nan 8.300 nan 0.000 0.505 479 E N 0.047 120.299 120.200 0.087 0.000 2.110 479 E HA -0.246 4.104 4.350 0.001 0.000 0.193 479 E C 2.073 178.644 176.600 -0.048 0.000 0.988 479 E CA 1.159 57.569 56.400 0.017 0.000 0.804 479 E CB -0.210 29.508 29.700 0.030 0.000 0.745 479 E HN 0.507 nan 8.360 nan 0.000 0.458 480 E N 0.725 120.883 120.200 -0.069 0.000 2.106 480 E HA -0.195 4.156 4.350 0.001 0.000 0.192 480 E C 2.164 178.571 176.600 -0.323 0.000 0.984 480 E CA 0.493 56.844 56.400 -0.082 0.000 0.806 480 E CB 0.067 29.793 29.700 0.043 0.000 0.750 480 E HN 0.108 nan 8.360 nan 0.000 0.458 481 L N 0.733 121.594 121.223 -0.604 0.000 2.017 481 L HA -0.133 4.208 4.340 0.001 0.000 0.208 481 L C 2.474 179.072 176.870 -0.454 0.000 1.073 481 L CA 2.668 56.908 54.840 -0.999 0.000 0.745 481 L CB -0.830 40.764 42.059 -0.775 0.000 0.894 481 L HN 0.270 nan 8.230 nan 0.000 0.432 482 T N -4.285 110.130 114.554 -0.232 0.000 3.051 482 T HA 0.273 4.623 4.350 0.001 0.000 0.255 482 T C 1.590 176.236 174.700 -0.090 0.000 1.085 482 T CA 0.467 62.491 62.100 -0.128 0.000 1.109 482 T CB -0.241 68.586 68.868 -0.068 0.000 0.921 482 T HN 0.729 nan 8.240 nan 0.000 0.488 483 G N 1.771 110.522 108.800 -0.082 0.000 2.168 483 G HA2 -0.214 3.747 3.960 0.001 0.000 0.263 483 G HA3 -0.214 3.747 3.960 0.001 0.000 0.263 483 G C -0.130 174.751 174.900 -0.031 0.000 0.977 483 G CA 0.758 45.830 45.100 -0.045 0.000 0.659 483 G HN 1.009 nan 8.290 nan 0.000 0.533 484 E N -2.087 118.095 120.200 -0.031 0.000 2.442 484 E HA 0.835 5.185 4.350 0.001 0.000 0.261 484 E C 0.782 177.374 176.600 -0.013 0.000 0.935 484 E CA -0.883 55.504 56.400 -0.022 0.000 0.856 484 E CB 0.395 30.079 29.700 -0.026 0.000 1.571 484 E HN -0.005 nan 8.360 nan 0.000 0.431 485 K N -0.571 119.822 120.400 -0.011 0.000 2.306 485 K HA 0.115 4.436 4.320 0.001 0.000 0.200 485 K C 1.663 178.256 176.600 -0.012 0.000 1.083 485 K CA 0.391 56.675 56.287 -0.006 0.000 0.959 485 K CB 0.332 32.828 32.500 -0.005 0.000 0.994 485 K HN 0.594 nan 8.250 nan 0.000 0.492 486 E N 1.275 121.465 120.200 -0.017 0.000 2.015 486 E HA -0.121 4.230 4.350 0.001 0.000 0.191 486 E C 1.990 178.574 176.600 -0.027 0.000 0.991 486 E CA 1.145 57.533 56.400 -0.021 0.000 0.802 486 E CB 0.122 29.810 29.700 -0.020 0.000 0.759 486 E HN 0.134 nan 8.360 nan 0.000 0.447 487 M N 0.239 119.824 119.600 -0.026 0.000 2.159 487 M HA -0.146 4.335 4.480 0.001 0.000 0.263 487 M C 2.419 178.698 176.300 -0.034 0.000 1.063 487 M CA 1.373 56.657 55.300 -0.028 0.000 1.110 487 M CB -0.174 32.412 32.600 -0.024 0.000 1.374 487 M HN 0.198 nan 8.290 nan 0.000 0.411 488 A N 0.451 123.260 122.820 -0.018 0.000 1.933 488 A HA -0.045 4.276 4.320 0.001 0.000 0.218 488 A C 2.376 179.917 177.584 -0.071 0.000 1.175 488 A CA 1.872 53.913 52.037 0.006 0.000 0.628 488 A CB -0.822 18.207 19.000 0.048 0.000 0.814 488 A HN 0.496 nan 8.150 nan 0.000 0.444 489 A N -0.324 122.460 122.820 -0.060 0.000 1.898 489 A HA -0.123 4.197 4.320 0.001 0.000 0.216 489 A C 1.934 179.444 177.584 -0.123 0.000 1.181 489 A CA 1.607 53.596 52.037 -0.080 0.000 0.620 489 A CB -0.397 18.576 19.000 -0.045 0.000 0.819 489 A HN 0.458 nan 8.150 nan 0.000 0.442 490 E N 0.256 120.396 120.200 -0.101 0.000 2.077 490 E HA -0.154 4.196 4.350 0.001 0.000 0.193 490 E C 2.055 178.564 176.600 -0.152 0.000 0.989 490 E CA 1.052 57.392 56.400 -0.099 0.000 0.800 490 E CB -0.506 29.158 29.700 -0.060 0.000 0.746 490 E HN 0.680 nan 8.360 nan 0.000 0.452 491 L N 0.688 121.786 121.223 -0.208 0.000 2.093 491 L HA -0.163 4.178 4.340 0.001 0.000 0.208 491 L C 2.542 178.934 176.870 -0.798 0.000 1.085 491 L CA 1.000 55.649 54.840 -0.317 0.000 0.755 491 L CB -0.363 41.541 42.059 -0.257 0.000 0.904 491 L HN 0.057 nan 8.230 nan 0.000 0.435 492 K N 0.902 120.744 120.400 -0.930 0.000 2.026 492 K HA -0.144 4.177 4.320 0.001 0.000 0.208 492 K C 2.035 178.445 176.600 -0.317 0.000 1.048 492 K CA 1.716 57.539 56.287 -0.773 0.000 0.929 492 K CB -0.375 31.939 32.500 -0.311 0.000 0.713 492 K HN 0.201 nan 8.250 nan 0.000 0.439 493 A N 0.299 122.988 122.820 -0.218 0.000 1.969 493 A HA -0.049 4.272 4.320 0.001 0.000 0.218 493 A C 2.186 179.693 177.584 -0.128 0.000 1.169 493 A CA 1.431 53.392 52.037 -0.127 0.000 0.635 493 A CB -0.536 18.405 19.000 -0.098 0.000 0.810 493 A HN 0.320 nan 8.150 nan 0.000 0.445 494 L N -2.853 118.271 121.223 -0.166 0.000 2.068 494 L HA -0.088 4.253 4.340 0.001 0.000 0.204 494 L C 2.319 179.029 176.870 -0.266 0.000 1.076 494 L CA 1.242 55.949 54.840 -0.222 0.000 0.753 494 L CB -0.354 41.548 42.059 -0.262 0.000 0.910 494 L HN 0.467 nan 8.230 nan 0.000 0.439 495 Y N -1.728 118.510 120.300 -0.104 0.000 2.507 495 Y HA 0.044 4.595 4.550 0.001 0.000 0.263 495 Y C 2.012 177.968 175.900 0.094 0.000 1.093 495 Y CA 0.473 58.595 58.100 0.036 0.000 1.285 495 Y CB 0.581 39.152 38.460 0.184 0.000 1.115 495 Y HN 0.074 nan 8.280 nan 0.000 0.533 496 S N -0.915 114.887 115.700 0.170 0.000 1.703 496 S HA -0.275 4.195 4.470 0.001 0.000 0.232 496 S C -0.053 174.732 174.600 0.308 0.000 0.865 496 S CA 1.872 60.174 58.200 0.170 0.000 1.462 496 S CB -1.151 62.114 63.200 0.109 0.000 1.879 496 S HN 0.542 nan 8.310 nan 0.000 0.532 497 D N -0.041 120.581 120.400 0.369 0.000 2.502 497 D HA 0.570 5.211 4.640 0.001 0.000 0.249 497 D C 0.578 176.998 176.300 0.200 0.000 1.092 497 D CA -0.561 53.601 54.000 0.271 0.000 0.839 497 D CB 1.224 42.111 40.800 0.144 0.000 1.264 497 D HN 0.059 nan 8.370 nan 0.000 0.511 498 I N 2.892 123.354 120.570 -0.180 0.000 2.399 498 I HA -0.198 3.973 4.170 0.001 0.000 0.254 498 I C 1.132 177.084 176.117 -0.274 0.000 1.146 498 I CA 1.508 62.385 61.300 -0.706 0.000 1.412 498 I CB -0.017 37.535 38.000 -0.745 0.000 1.076 498 I HN 0.393 nan 8.210 nan 0.000 0.432 499 D N -0.412 119.925 120.400 -0.105 0.000 2.348 499 D HA -0.034 4.607 4.640 0.001 0.000 0.216 499 D C 1.919 178.218 176.300 -0.002 0.000 0.970 499 D CA 1.363 55.335 54.000 -0.047 0.000 0.889 499 D CB 0.098 40.883 40.800 -0.025 0.000 0.912 499 D HN 0.455 nan 8.370 nan 0.000 0.524 500 V N -2.229 117.710 119.914 0.042 0.000 3.427 500 V HA 0.278 4.398 4.120 0.001 0.000 0.305 500 V C 0.598 176.740 176.094 0.079 0.000 1.412 500 V CA -0.564 61.798 62.300 0.102 0.000 1.086 500 V CB -0.233 31.691 31.823 0.167 0.000 0.964 500 V HN -0.152 nan 8.190 nan 0.000 0.439 501 M N 2.585 122.134 119.600 -0.086 0.000 2.250 501 M HA 0.236 4.717 4.480 0.001 0.000 0.337 501 M C 0.198 176.406 176.300 -0.155 0.000 1.161 501 M CA 0.486 55.574 55.300 -0.354 0.000 1.088 501 M CB -0.311 32.115 32.600 -0.290 0.000 1.639 501 M HN 0.537 nan 8.290 nan 0.000 0.447 502 E N 3.245 123.349 120.200 -0.161 0.000 2.319 502 E HA 0.140 4.491 4.350 0.001 0.000 0.268 502 E C 0.540 177.175 176.600 0.059 0.000 1.050 502 E CA -0.623 55.812 56.400 0.059 0.000 0.878 502 E CB 1.048 30.846 29.700 0.162 0.000 1.066 502 E HN 0.766 nan 8.360 nan 0.000 0.406 503 L N 2.758 124.058 121.223 0.129 0.000 1.961 503 L HA -0.229 4.112 4.340 0.001 0.000 0.210 503 L C 2.144 179.055 176.870 0.070 0.000 1.072 503 L CA 1.889 56.781 54.840 0.086 0.000 0.749 503 L CB -0.715 41.364 42.059 0.033 0.000 0.889 503 L HN 0.725 nan 8.230 nan 0.000 0.432 504 Y N 1.581 121.881 120.300 -0.001 0.000 2.053 504 Y HA -0.158 4.393 4.550 0.001 0.000 0.277 504 Y C -0.642 175.266 175.900 0.014 0.000 1.159 504 Y CA 2.304 60.391 58.100 -0.021 0.000 1.125 504 Y CB -2.000 36.416 38.460 -0.073 0.000 0.969 504 Y HN 0.280 nan 8.280 nan 0.000 0.492 505 P HA -0.171 nan 4.420 nan 0.000 0.218 505 P C 1.350 178.540 177.300 -0.184 0.000 1.149 505 P CA 2.292 65.239 63.100 -0.256 0.000 0.817 505 P CB -0.389 31.316 31.700 0.008 0.000 0.785 506 A N 0.245 122.998 122.820 -0.112 0.000 1.902 506 A HA -0.145 4.176 4.320 0.001 0.000 0.217 506 A C 2.381 179.909 177.584 -0.093 0.000 1.181 506 A CA 1.386 53.371 52.037 -0.087 0.000 0.623 506 A CB -1.645 17.328 19.000 -0.046 0.000 0.818 506 A HN 0.138 nan 8.150 nan 0.000 0.443 507 L N -0.675 120.483 121.223 -0.109 0.000 2.131 507 L HA -0.149 4.191 4.340 0.001 0.000 0.210 507 L C 2.152 178.955 176.870 -0.112 0.000 1.092 507 L CA 0.920 55.701 54.840 -0.098 0.000 0.759 507 L CB -0.389 41.619 42.059 -0.085 0.000 0.903 507 L HN 0.374 nan 8.230 nan 0.000 0.435 508 L N -0.843 120.275 121.223 -0.176 0.000 2.509 508 L HA 0.002 4.343 4.340 0.001 0.000 0.222 508 L C 2.004 178.815 176.870 -0.097 0.000 1.123 508 L CA 0.215 54.973 54.840 -0.136 0.000 0.856 508 L CB -0.141 41.803 42.059 -0.193 0.000 0.985 508 L HN 0.225 nan 8.230 nan 0.000 0.456 509 V N -4.258 115.597 119.914 -0.099 0.000 3.661 509 V HA 0.142 4.263 4.120 0.001 0.000 0.271 509 V C 0.972 177.016 176.094 -0.084 0.000 1.315 509 V CA -0.299 61.955 62.300 -0.077 0.000 1.072 509 V CB -0.142 31.644 31.823 -0.061 0.000 0.830 509 V HN 0.262 nan 8.190 nan 0.000 0.443 510 E N 2.394 122.542 120.200 -0.087 0.000 2.442 510 E HA 0.006 4.357 4.350 0.001 0.000 0.262 510 E C 0.306 176.862 176.600 -0.075 0.000 1.004 510 E CA -0.205 56.140 56.400 -0.093 0.000 0.928 510 E CB 0.470 30.144 29.700 -0.043 0.000 0.937 510 E HN 0.519 nan 8.360 nan 0.000 0.446 511 K N 5.263 125.613 120.400 -0.083 0.000 2.453 511 K HA 0.071 4.391 4.320 0.001 0.000 0.280 511 K C -2.292 174.285 176.600 -0.040 0.000 1.045 511 K CA -1.214 55.038 56.287 -0.057 0.000 1.059 511 K CB 0.366 32.837 32.500 -0.049 0.000 0.901 511 K HN 0.247 nan 8.250 nan 0.000 0.475 512 P HA 0.137 nan 4.420 nan 0.000 0.274 512 P C -0.794 176.472 177.300 -0.058 0.000 1.237 512 P CA -0.468 62.595 63.100 -0.061 0.000 0.793 512 P CB 0.591 32.236 31.700 -0.091 0.000 0.977 513 R N 2.438 122.886 120.500 -0.086 0.000 2.811 513 R HA 0.134 4.475 4.340 0.001 0.000 0.265 513 R C -1.959 174.322 176.300 -0.032 0.000 1.026 513 R CA -0.978 55.068 56.100 -0.090 0.000 1.142 513 R CB -1.487 28.659 30.300 -0.256 0.000 1.027 513 R HN 0.396 nan 8.270 nan 0.000 0.465 514 P HA -0.051 nan 4.420 nan 0.000 0.262 514 P C -0.928 176.367 177.300 -0.008 0.000 1.199 514 P CA 0.631 63.750 63.100 0.032 0.000 0.763 514 P CB 0.317 32.073 31.700 0.094 0.000 0.790 515 D N 0.071 120.443 120.400 -0.046 0.000 2.811 515 D HA -0.205 4.436 4.640 0.001 0.000 0.231 515 D C 0.166 176.389 176.300 -0.129 0.000 1.157 515 D CA 1.407 55.356 54.000 -0.084 0.000 0.716 515 D CB -1.180 39.577 40.800 -0.073 0.000 1.077 515 D HN 0.466 nan 8.370 nan 0.000 0.428 516 A N -0.250 122.485 122.820 -0.142 0.000 2.322 516 A HA 0.705 5.026 4.320 0.001 0.000 0.327 516 A C 1.161 178.565 177.584 -0.300 0.000 1.134 516 A CA -0.566 51.342 52.037 -0.214 0.000 0.831 516 A CB 1.325 20.230 19.000 -0.157 0.000 1.288 516 A HN 0.122 nan 8.150 nan 0.000 0.472 517 I N -0.811 119.464 120.570 -0.492 0.000 2.617 517 I HA 0.127 4.298 4.170 0.001 0.000 0.256 517 I C -0.664 175.094 176.117 -0.598 0.000 1.167 517 I CA 0.756 61.647 61.300 -0.681 0.000 1.469 517 I CB -0.068 37.292 38.000 -1.067 0.000 1.098 517 I HN 0.476 nan 8.210 nan 0.000 0.436 518 F N -0.316 119.464 119.950 -0.284 0.000 2.579 518 F HA 0.603 5.131 4.527 0.001 0.000 0.324 518 F C 0.802 176.485 175.800 -0.196 0.000 1.058 518 F CA -1.286 56.556 58.000 -0.262 0.000 0.944 518 F CB 0.680 39.509 39.000 -0.286 0.000 1.245 518 F HN -0.247 nan 8.300 nan 0.000 0.477 519 G N -0.188 108.653 108.800 0.068 0.000 2.557 519 G HA2 0.226 4.187 3.960 0.001 0.000 0.292 519 G HA3 0.226 4.187 3.960 0.001 0.000 0.292 519 G C 0.706 175.599 174.900 -0.010 0.000 1.237 519 G CA -0.293 44.809 45.100 0.005 0.000 0.978 519 G HN 0.763 nan 8.290 nan 0.000 0.498 520 E N -0.899 119.296 120.200 -0.009 0.000 2.070 520 E HA -0.196 4.155 4.350 0.001 0.000 0.197 520 E C 2.313 178.894 176.600 -0.032 0.000 1.004 520 E CA 1.941 58.328 56.400 -0.021 0.000 0.805 520 E CB -0.281 29.420 29.700 0.002 0.000 0.744 520 E HN 0.464 nan 8.360 nan 0.000 0.451 521 T N 0.963 115.509 114.554 -0.014 0.000 2.759 521 T HA -0.213 4.138 4.350 0.001 0.000 0.269 521 T C 1.709 176.341 174.700 -0.113 0.000 1.042 521 T CA 1.619 63.690 62.100 -0.048 0.000 1.140 521 T CB -0.254 68.617 68.868 0.006 0.000 0.864 521 T HN 0.191 nan 8.240 nan 0.000 0.455 522 M N 1.164 120.683 119.600 -0.135 0.000 2.086 522 M HA -0.025 4.456 4.480 0.001 0.000 0.261 522 M C 2.096 178.261 176.300 -0.225 0.000 1.067 522 M CA 1.403 56.554 55.300 -0.249 0.000 1.116 522 M CB -0.546 31.762 32.600 -0.488 0.000 1.348 522 M HN 0.062 nan 8.290 nan 0.000 0.407 523 V N 0.162 119.990 119.914 -0.143 0.000 2.379 523 V HA -0.177 3.944 4.120 0.001 0.000 0.245 523 V C 2.336 178.398 176.094 -0.052 0.000 1.044 523 V CA 1.662 63.930 62.300 -0.053 0.000 1.036 523 V CB -0.876 30.960 31.823 0.021 0.000 0.664 523 V HN 0.413 nan 8.190 nan 0.000 0.453 524 E N -0.163 119.989 120.200 -0.080 0.000 2.208 524 E HA -0.088 4.263 4.350 0.001 0.000 0.193 524 E C 1.985 178.429 176.600 -0.260 0.000 0.988 524 E CA 0.830 57.175 56.400 -0.091 0.000 0.828 524 E CB -0.049 29.627 29.700 -0.040 0.000 0.763 524 E HN 0.397 nan 8.360 nan 0.000 0.478 525 L N -0.356 120.619 121.223 -0.415 0.000 2.168 525 L HA 0.120 4.461 4.340 0.001 0.000 0.203 525 L C 2.352 179.002 176.870 -0.366 0.000 1.078 525 L CA 1.484 55.837 54.840 -0.810 0.000 0.780 525 L CB -1.132 40.508 42.059 -0.698 0.000 0.939 525 L HN 0.107 nan 8.230 nan 0.000 0.451 526 G N -0.587 108.173 108.800 -0.067 0.000 2.446 526 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 526 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 526 G C 1.707 176.678 174.900 0.118 0.000 1.168 526 G CA 0.971 46.179 45.100 0.180 0.000 0.771 526 G HN 0.456 nan 8.290 nan 0.000 0.551 527 A N 1.625 124.466 122.820 0.035 0.000 1.877 527 A HA 0.020 4.340 4.320 0.001 0.000 0.216 527 A C 0.948 178.521 177.584 -0.019 0.000 1.186 527 A CA 2.101 54.171 52.037 0.055 0.000 0.620 527 A CB -1.128 17.910 19.000 0.063 0.000 0.822 527 A HN 0.428 nan 8.150 nan 0.000 0.443 528 P HA -0.119 nan 4.420 nan 0.000 0.217 528 P C 1.118 178.293 177.300 -0.209 0.000 1.150 528 P CA 0.913 63.908 63.100 -0.175 0.000 0.832 528 P CB -0.275 31.288 31.700 -0.230 0.000 0.787 529 F N 0.897 120.679 119.950 -0.279 0.000 2.102 529 F HA -0.127 4.401 4.527 0.001 0.000 0.298 529 F C 2.651 178.080 175.800 -0.618 0.000 1.105 529 F CA 1.333 58.952 58.000 -0.635 0.000 1.239 529 F CB -1.649 36.528 39.000 -1.373 0.000 0.991 529 F HN -0.087 nan 8.300 nan 0.000 0.474 530 S N 0.690 116.279 115.700 -0.184 0.000 2.356 530 S HA -0.160 4.311 4.470 0.001 0.000 0.223 530 S C 2.207 176.876 174.600 0.115 0.000 1.032 530 S CA 1.073 59.350 58.200 0.129 0.000 1.005 530 S CB -0.711 62.705 63.200 0.359 0.000 0.867 530 S HN 0.323 nan 8.310 nan 0.000 0.449 531 L N 1.709 122.984 121.223 0.087 0.000 1.990 531 L HA -0.166 4.175 4.340 0.001 0.000 0.213 531 L C 2.096 179.055 176.870 0.148 0.000 1.072 531 L CA 1.981 56.884 54.840 0.105 0.000 0.755 531 L CB -0.768 41.338 42.059 0.078 0.000 0.889 531 L HN 0.193 nan 8.230 nan 0.000 0.432 532 K N 0.228 120.696 120.400 0.113 0.000 2.063 532 K HA -0.120 4.201 4.320 0.001 0.000 0.208 532 K C 2.039 178.694 176.600 0.091 0.000 1.048 532 K CA 1.433 57.792 56.287 0.120 0.000 0.928 532 K CB -0.983 31.525 32.500 0.014 0.000 0.713 532 K HN 0.570 nan 8.250 nan 0.000 0.442 533 G N 0.692 109.504 108.800 0.019 0.000 2.422 533 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 533 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 533 G C 1.672 176.604 174.900 0.054 0.000 1.140 533 G CA 0.442 45.521 45.100 -0.035 0.000 0.775 533 G HN 0.167 nan 8.290 nan 0.000 0.545 534 L N -0.368 120.924 121.223 0.115 0.000 2.121 534 L HA 0.148 4.489 4.340 0.001 0.000 0.200 534 L C 2.811 179.774 176.870 0.155 0.000 1.077 534 L CA 0.447 55.359 54.840 0.120 0.000 0.766 534 L CB -0.237 41.882 42.059 0.100 0.000 0.931 534 L HN 0.059 nan 8.230 nan 0.000 0.452 535 M N -0.280 119.442 119.600 0.204 0.000 2.419 535 M HA 0.070 4.551 4.480 0.001 0.000 0.264 535 M C 2.135 178.742 176.300 0.512 0.000 1.082 535 M CA 0.955 56.404 55.300 0.248 0.000 1.119 535 M CB -1.434 31.148 32.600 -0.030 0.000 1.398 535 M HN 0.259 nan 8.290 nan 0.000 0.453 536 G N 0.571 109.654 108.800 0.472 0.000 2.598 536 G HA2 -0.132 3.829 3.960 0.001 0.000 0.215 536 G HA3 -0.132 3.829 3.960 0.001 0.000 0.215 536 G C 0.840 175.934 174.900 0.323 0.000 1.131 536 G CA -0.134 45.187 45.100 0.370 0.000 0.785 536 G HN 0.423 nan 8.290 nan 0.000 0.539 537 N N 1.128 119.993 118.700 0.274 0.000 2.412 537 N HA 0.024 4.764 4.740 0.001 0.000 0.254 537 N C -1.036 174.575 175.510 0.168 0.000 1.232 537 N CA -1.103 52.058 53.050 0.185 0.000 0.880 537 N CB 1.858 40.449 38.487 0.172 0.000 1.076 537 N HN -0.055 nan 8.380 nan 0.000 0.458 538 P HA -0.167 nan 4.420 nan 0.000 0.218 538 P C 1.499 178.582 177.300 -0.361 0.000 1.148 538 P CA 1.273 64.201 63.100 -0.287 0.000 0.822 538 P CB -0.153 31.209 31.700 -0.563 0.000 0.784 539 I N -3.111 117.420 120.570 -0.065 0.000 2.700 539 I HA -0.124 4.047 4.170 0.001 0.000 0.261 539 I C 1.636 178.079 176.117 0.543 0.000 1.219 539 I CA 1.417 62.918 61.300 0.335 0.000 1.463 539 I CB -1.158 37.199 38.000 0.596 0.000 1.092 539 I HN -0.164 nan 8.210 nan 0.000 0.452 540 C N 1.402 120.899 119.300 0.328 0.000 2.618 540 C HA 0.185 4.646 4.460 0.001 0.000 0.264 540 C C 1.771 176.856 174.990 0.159 0.000 1.334 540 C CA 0.234 59.405 59.018 0.255 0.000 1.731 540 C CB -1.823 26.108 27.740 0.318 0.000 1.852 540 C HN 0.712 nan 8.230 nan 0.000 0.566 541 S N 1.764 117.372 115.700 -0.154 0.000 2.592 541 S HA 0.223 4.694 4.470 0.001 0.000 0.271 541 S C -1.671 172.885 174.600 -0.073 0.000 1.326 541 S CA -0.643 57.197 58.200 -0.600 0.000 1.024 541 S CB 0.770 63.553 63.200 -0.696 0.000 0.921 541 S HN 0.053 nan 8.310 nan 0.000 0.527 542 P HA -0.118 nan 4.420 nan 0.000 0.216 542 P C 1.479 178.706 177.300 -0.122 0.000 1.153 542 P CA 1.171 63.950 63.100 -0.535 0.000 0.858 542 P CB 0.025 31.277 31.700 -0.748 0.000 0.789 543 Q N -2.284 117.484 119.800 -0.054 0.000 2.369 543 Q HA -0.094 4.247 4.340 0.001 0.000 0.206 543 Q C 1.713 177.676 176.000 -0.063 0.000 0.963 543 Q CA 1.286 57.063 55.803 -0.043 0.000 0.894 543 Q CB -0.486 28.227 28.738 -0.042 0.000 0.965 543 Q HN 0.453 nan 8.270 nan 0.000 0.475 544 Y N -1.868 118.427 120.300 -0.008 0.000 2.479 544 Y HA 0.007 4.558 4.550 0.001 0.000 0.283 544 Y C 1.055 177.037 175.900 0.138 0.000 1.109 544 Y CA -0.189 57.924 58.100 0.021 0.000 1.239 544 Y CB 0.213 38.731 38.460 0.096 0.000 1.108 544 Y HN 0.175 nan 8.280 nan 0.000 0.548 545 W N 4.023 125.473 121.300 0.250 0.000 1.564 545 W HA 0.265 4.925 4.660 0.001 0.000 0.480 545 W C -0.940 175.678 176.519 0.164 0.000 0.699 545 W CA 0.330 57.896 57.345 0.369 0.000 1.985 545 W CB -0.630 29.161 29.460 0.553 0.000 1.738 545 W HN -0.028 nan 8.180 nan 0.000 0.218 546 K N 3.322 123.514 120.400 -0.348 0.000 2.527 546 K HA 0.204 4.525 4.320 0.001 0.000 0.260 546 K C -1.975 174.116 176.600 -0.849 0.000 0.937 546 K CA -1.609 54.369 56.287 -0.514 0.000 0.826 546 K CB 2.469 34.808 32.500 -0.267 0.000 1.359 546 K HN -0.202 nan 8.250 nan 0.000 0.434 547 P HA -0.242 nan 4.420 nan 0.000 0.215 547 P C 1.145 178.313 177.300 -0.220 0.000 1.153 547 P CA 1.506 64.299 63.100 -0.511 0.000 0.853 547 P CB 0.169 31.777 31.700 -0.153 0.000 0.788 548 S N -1.725 113.853 115.700 -0.203 0.000 2.399 548 S HA -0.162 4.309 4.470 0.001 0.000 0.231 548 S C 1.858 176.335 174.600 -0.205 0.000 1.022 548 S CA 1.897 60.022 58.200 -0.125 0.000 0.983 548 S CB -2.071 61.065 63.200 -0.108 0.000 0.803 548 S HN 0.125 nan 8.310 nan 0.000 0.480 549 T N 1.478 115.769 114.554 -0.438 0.000 2.803 549 T HA -0.011 4.340 4.350 0.001 0.000 0.269 549 T C 0.457 174.749 174.700 -0.680 0.000 1.052 549 T CA 1.285 62.965 62.100 -0.700 0.000 1.136 549 T CB -0.468 67.722 68.868 -1.131 0.000 0.864 549 T HN 0.594 nan 8.240 nan 0.000 0.467 550 F N 0.104 120.042 119.950 -0.019 0.000 2.772 550 F HA 0.517 5.045 4.527 0.001 0.000 0.302 550 F C 1.565 177.465 175.800 0.166 0.000 1.136 550 F CA -0.725 57.326 58.000 0.086 0.000 1.322 550 F CB -0.098 38.959 39.000 0.095 0.000 0.967 550 F HN 0.177 nan 8.300 nan 0.000 0.513 551 G N -0.035 108.951 108.800 0.309 0.000 2.143 551 G HA2 0.120 4.081 3.960 0.001 0.000 0.249 551 G HA3 0.120 4.081 3.960 0.001 0.000 0.249 551 G C 0.662 175.752 174.900 0.316 0.000 0.981 551 G CA 0.063 45.400 45.100 0.395 0.000 0.665 551 G HN 1.269 nan 8.290 nan 0.000 0.528 552 G N -1.392 107.530 108.800 0.203 0.000 2.483 552 G HA2 0.209 4.169 3.960 0.001 0.000 0.521 552 G HA3 0.209 4.169 3.960 0.001 0.000 0.521 552 G C 0.374 175.364 174.900 0.149 0.000 1.278 552 G CA 0.556 45.737 45.100 0.135 0.000 0.965 552 G HN 0.506 nan 8.290 nan 0.000 0.504 553 E N -0.570 119.700 120.200 0.116 0.000 2.110 553 E HA -0.089 4.262 4.350 0.001 0.000 0.193 553 E C 2.874 179.557 176.600 0.139 0.000 0.988 553 E CA 1.536 58.028 56.400 0.153 0.000 0.804 553 E CB -0.340 29.419 29.700 0.098 0.000 0.745 553 E HN 0.447 nan 8.360 nan 0.000 0.458 554 V N 0.796 120.761 119.914 0.085 0.000 2.295 554 V HA -0.205 3.916 4.120 0.001 0.000 0.246 554 V C 2.419 178.574 176.094 0.102 0.000 1.049 554 V CA 2.055 64.390 62.300 0.059 0.000 1.024 554 V CB -1.078 30.748 31.823 0.006 0.000 0.648 554 V HN 0.328 nan 8.190 nan 0.000 0.447 555 G N -1.102 107.794 108.800 0.159 0.000 2.402 555 G HA2 -0.266 3.695 3.960 0.001 0.000 0.216 555 G HA3 -0.266 3.695 3.960 0.001 0.000 0.216 555 G C 1.540 176.577 174.900 0.228 0.000 1.162 555 G CA 0.700 45.929 45.100 0.214 0.000 0.777 555 G HN 0.399 nan 8.290 nan 0.000 0.539 556 F N 2.072 122.045 119.950 0.039 0.000 2.126 556 F HA -0.061 4.467 4.527 0.001 0.000 0.299 556 F C 2.838 178.566 175.800 -0.120 0.000 1.096 556 F CA 1.438 59.367 58.000 -0.118 0.000 1.255 556 F CB -0.538 38.419 39.000 -0.071 0.000 0.997 556 F HN 0.073 nan 8.300 nan 0.000 0.479 557 K N 0.416 120.833 120.400 0.029 0.000 2.097 557 K HA -0.115 4.206 4.320 0.001 0.000 0.206 557 K C 2.223 178.803 176.600 -0.032 0.000 1.049 557 K CA 1.348 57.602 56.287 -0.056 0.000 0.933 557 K CB -0.910 31.584 32.500 -0.010 0.000 0.717 557 K HN 0.460 nan 8.250 nan 0.000 0.442 558 I N 0.297 120.877 120.570 0.016 0.000 2.151 558 I HA -0.297 3.874 4.170 0.001 0.000 0.243 558 I C 2.246 178.387 176.117 0.040 0.000 1.080 558 I CA 1.683 63.004 61.300 0.034 0.000 1.339 558 I CB -0.439 37.600 38.000 0.065 0.000 1.039 558 I HN 0.173 nan 8.210 nan 0.000 0.409 559 I N 0.703 121.282 120.570 0.015 0.000 2.142 559 I HA -0.303 3.868 4.170 0.001 0.000 0.240 559 I C 1.619 177.794 176.117 0.095 0.000 1.078 559 I CA 1.938 63.277 61.300 0.064 0.000 1.343 559 I CB -0.511 37.486 38.000 -0.005 0.000 1.046 559 I HN 0.272 nan 8.210 nan 0.000 0.405 560 N N -0.468 118.210 118.700 -0.037 0.000 2.521 560 N HA -0.070 4.671 4.740 0.001 0.000 0.188 560 N C 0.901 176.414 175.510 0.004 0.000 1.146 560 N CA 1.031 54.064 53.050 -0.027 0.000 0.893 560 N CB 0.172 38.520 38.487 -0.233 0.000 0.975 560 N HN 0.444 nan 8.380 nan 0.000 0.451 561 T N -3.760 110.802 114.554 0.014 0.000 3.091 561 T HA 0.442 4.793 4.350 0.001 0.000 0.277 561 T C 0.455 175.174 174.700 0.032 0.000 0.996 561 T CA -0.624 61.485 62.100 0.016 0.000 0.897 561 T CB 0.236 69.101 68.868 -0.004 0.000 1.109 561 T HN 0.044 nan 8.240 nan 0.000 0.534 562 A N 2.001 124.859 122.820 0.064 0.000 2.425 562 A HA 0.679 4.999 4.320 0.001 0.000 0.249 562 A C 0.606 178.221 177.584 0.051 0.000 1.084 562 A CA -0.164 51.913 52.037 0.067 0.000 0.781 562 A CB 0.140 19.215 19.000 0.124 0.000 1.019 562 A HN 0.945 nan 8.150 nan 0.000 0.490 563 S N 1.256 116.961 115.700 0.008 0.000 2.618 563 S HA 0.481 4.951 4.470 0.001 0.000 0.277 563 S C 0.497 175.047 174.600 -0.083 0.000 1.138 563 S CA -0.191 57.990 58.200 -0.031 0.000 0.844 563 S CB 0.713 63.880 63.200 -0.054 0.000 1.127 563 S HN 1.021 nan 8.310 nan 0.000 0.474 564 I N 1.154 121.626 120.570 -0.165 0.000 2.286 564 I HA -0.072 4.099 4.170 0.001 0.000 0.248 564 I C 2.446 178.407 176.117 -0.261 0.000 1.115 564 I CA 1.948 63.091 61.300 -0.262 0.000 1.392 564 I CB -0.577 37.039 38.000 -0.640 0.000 1.065 564 I HN 0.914 nan 8.210 nan 0.000 0.418 565 Q N 0.539 120.182 119.800 -0.262 0.000 2.046 565 Q HA -0.181 4.160 4.340 0.001 0.000 0.200 565 Q C 2.432 178.336 176.000 -0.160 0.000 0.975 565 Q CA 2.585 58.244 55.803 -0.239 0.000 0.836 565 Q CB -0.563 28.041 28.738 -0.224 0.000 0.896 565 Q HN 0.670 nan 8.270 nan 0.000 0.428 566 S N -0.289 115.339 115.700 -0.119 0.000 2.399 566 S HA -0.151 4.319 4.470 0.001 0.000 0.231 566 S C 1.897 176.428 174.600 -0.115 0.000 1.022 566 S CA 1.067 59.212 58.200 -0.091 0.000 0.983 566 S CB -0.660 62.506 63.200 -0.057 0.000 0.803 566 S HN 0.410 nan 8.310 nan 0.000 0.480 567 L N 0.878 122.014 121.223 -0.144 0.000 2.012 567 L HA 0.015 4.356 4.340 0.001 0.000 0.210 567 L C 2.164 178.904 176.870 -0.216 0.000 1.073 567 L CA 1.655 56.365 54.840 -0.216 0.000 0.748 567 L CB -0.668 41.218 42.059 -0.288 0.000 0.891 567 L HN 0.257 nan 8.230 nan 0.000 0.431 568 I N -1.298 119.161 120.570 -0.186 0.000 2.286 568 I HA -0.249 3.922 4.170 0.001 0.000 0.245 568 I C 2.718 178.751 176.117 -0.140 0.000 1.104 568 I CA 1.274 62.472 61.300 -0.170 0.000 1.397 568 I CB -0.965 36.937 38.000 -0.162 0.000 1.072 568 I HN 0.471 nan 8.210 nan 0.000 0.417 569 c N 1.059 119.586 118.600 -0.122 0.000 2.413 569 c HA -0.177 4.394 4.570 0.001 0.000 0.276 569 c C 2.717 176.755 174.090 -0.088 0.000 1.248 569 c CA 1.225 57.500 56.329 -0.090 0.000 1.742 569 c CB -1.291 41.175 42.510 -0.072 0.000 2.017 569 c HN 0.519 nan 8.230 nan 0.000 0.481 570 N N 0.968 119.608 118.700 -0.099 0.000 2.396 570 N HA -0.013 4.728 4.740 0.001 0.000 0.180 570 N C 0.973 176.417 175.510 -0.109 0.000 1.028 570 N CA 1.000 53.995 53.050 -0.092 0.000 0.893 570 N CB -0.380 38.056 38.487 -0.085 0.000 0.967 570 N HN 0.677 nan 8.380 nan 0.000 0.440 571 N N -0.413 118.205 118.700 -0.136 0.000 2.159 571 N HA 0.103 4.844 4.740 0.001 0.000 0.217 571 N C -0.702 174.708 175.510 -0.167 0.000 1.223 571 N CA 0.108 53.063 53.050 -0.158 0.000 0.896 571 N CB 2.048 40.421 38.487 -0.190 0.000 1.064 571 N HN -0.113 nan 8.380 nan 0.000 0.518 572 V N 1.620 121.448 119.914 -0.143 0.000 2.487 572 V HA 0.220 4.341 4.120 0.001 0.000 0.298 572 V C 0.398 176.432 176.094 -0.100 0.000 1.028 572 V CA -1.140 61.080 62.300 -0.133 0.000 0.860 572 V CB 2.644 34.392 31.823 -0.125 0.000 0.991 572 V HN -0.030 nan 8.190 nan 0.000 0.427 573 K N 2.712 123.054 120.400 -0.096 0.000 2.511 573 K HA 0.269 4.590 4.320 0.001 0.000 0.280 573 K C 1.252 177.824 176.600 -0.047 0.000 1.008 573 K CA 1.360 57.605 56.287 -0.070 0.000 1.050 573 K CB 0.137 32.597 32.500 -0.065 0.000 0.889 573 K HN 1.187 nan 8.250 nan 0.000 0.484 574 G N 2.848 111.625 108.800 -0.037 0.000 2.176 574 G HA2 -0.340 3.621 3.960 0.001 0.000 0.253 574 G HA3 -0.340 3.621 3.960 0.001 0.000 0.253 574 G C 0.398 175.286 174.900 -0.019 0.000 0.979 574 G CA -0.075 45.012 45.100 -0.022 0.000 0.641 574 G HN 1.151 nan 8.290 nan 0.000 0.530 575 c N 1.111 119.691 118.600 -0.033 0.000 3.349 575 c HA -0.078 4.493 4.570 0.001 0.000 0.275 575 c C -0.308 173.777 174.090 -0.008 0.000 1.322 575 c CA -0.067 56.242 56.329 -0.032 0.000 2.261 575 c CB -1.756 40.737 42.510 -0.028 0.000 1.446 575 c HN 0.797 nan 8.230 nan 0.000 0.533 576 P HA 0.230 nan 4.420 nan 0.000 0.271 576 P C -0.026 177.302 177.300 0.047 0.000 1.218 576 P CA -0.087 63.033 63.100 0.032 0.000 0.780 576 P CB 0.390 32.101 31.700 0.018 0.000 0.901 577 F N 1.989 121.919 119.950 -0.032 0.000 2.563 577 F HA 0.291 4.818 4.527 0.001 0.000 0.363 577 F C 0.432 176.210 175.800 -0.037 0.000 1.123 577 F CA 1.216 59.194 58.000 -0.037 0.000 1.307 577 F CB 0.539 39.521 39.000 -0.029 0.000 1.115 577 F HN 0.321 nan 8.300 nan 0.000 0.592 578 T N 3.656 117.584 114.554 -1.044 0.000 2.816 578 T HA 0.610 4.961 4.350 0.001 0.000 0.299 578 T C -1.507 172.567 174.700 -1.043 0.000 1.230 578 T CA -0.350 61.267 62.100 -0.806 0.000 1.007 578 T CB 1.413 70.066 68.868 -0.360 0.000 1.289 578 T HN 0.882 nan 8.240 nan 0.000 0.508 579 S N 0.081 115.434 115.700 -0.578 0.000 2.597 579 S HA 0.500 4.971 4.470 0.001 0.000 0.274 579 S C -1.029 173.419 174.600 -0.255 0.000 1.132 579 S CA -0.488 57.443 58.200 -0.448 0.000 0.835 579 S CB 0.496 63.563 63.200 -0.221 0.000 1.092 579 S HN 0.492 nan 8.310 nan 0.000 0.457 580 F N 2.037 121.893 119.950 -0.156 0.000 2.797 580 F HA 0.423 4.951 4.527 0.001 0.000 0.302 580 F C 1.277 176.788 175.800 -0.482 0.000 1.130 580 F CA -0.093 57.765 58.000 -0.237 0.000 1.387 580 F CB -0.037 38.797 39.000 -0.277 0.000 1.107 580 F HN 0.406 nan 8.300 nan 0.000 0.577 581 N N 0.034 118.654 118.700 -0.133 0.000 2.284 581 N HA 0.189 4.929 4.740 0.001 0.000 0.300 581 N C 1.090 176.627 175.510 0.045 0.000 1.047 581 N CA -0.008 52.999 53.050 -0.071 0.000 0.821 581 N CB 2.476 40.971 38.487 0.012 0.000 1.337 581 N HN -0.041 nan 8.380 nan 0.000 0.482 582 V N 0.340 120.286 119.914 0.053 0.000 2.515 582 V HA -0.049 4.072 4.120 0.001 0.000 0.250 582 V C 0.983 177.122 176.094 0.075 0.000 1.058 582 V CA 1.587 63.933 62.300 0.078 0.000 1.064 582 V CB -1.170 30.691 31.823 0.062 0.000 0.675 582 V HN 0.845 nan 8.190 nan 0.000 0.461 583 Q N 0.000 119.834 119.800 0.056 0.000 2.315 583 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 583 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 583 Q CB 0.000 28.768 28.738 0.050 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481