REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3hs7_1_B 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 0.000 175.413 175.328 0.141 0.000 0.993 33 H CA 0.000 56.117 56.048 0.116 0.000 1.023 33 H CB 0.000 29.822 29.762 0.100 0.000 1.292 34 H N 1.381 120.580 119.070 0.215 0.000 2.928 34 H HA 0.086 4.641 4.556 -0.000 0.000 0.338 34 H C -1.783 173.616 175.328 0.118 0.000 1.047 34 H CA -1.289 54.838 56.048 0.131 0.000 1.435 34 H CB 1.205 31.045 29.762 0.129 0.000 1.428 34 H HN 0.520 nan 8.280 nan 0.000 0.590 35 P HA 0.016 nan 4.420 nan 0.000 0.237 35 P C 0.605 178.038 177.300 0.221 0.000 1.178 35 P CA 0.635 63.816 63.100 0.134 0.000 0.766 35 P CB 0.244 31.994 31.700 0.084 0.000 0.876 36 c N -2.460 116.369 118.600 0.381 0.000 2.974 36 c HA 0.154 4.723 4.570 -0.000 0.000 0.282 36 c C 2.340 176.437 174.090 0.011 0.000 1.292 36 c CA -0.224 56.161 56.329 0.093 0.000 1.710 36 c CB -1.881 40.687 42.510 0.098 0.000 2.036 36 c HN 0.329 nan 8.230 nan 0.000 0.629 37 c N 1.617 120.288 118.600 0.118 0.000 2.411 37 c HA -0.107 4.463 4.570 -0.000 0.000 0.279 37 c C 2.878 176.962 174.090 -0.011 0.000 1.288 37 c CA 2.094 58.452 56.329 0.048 0.000 1.764 37 c CB -1.265 41.305 42.510 0.099 0.000 1.974 37 c HN 0.817 nan 8.230 nan 0.000 0.498 38 S N 0.318 116.013 115.700 -0.007 0.000 2.607 38 S HA -0.022 4.447 4.470 -0.000 0.000 0.224 38 S C 0.373 174.921 174.600 -0.087 0.000 0.969 38 S CA 0.299 58.477 58.200 -0.036 0.000 0.927 38 S CB -0.694 62.500 63.200 -0.009 0.000 0.772 38 S HN 0.681 nan 8.310 nan 0.000 0.533 39 N N 1.796 120.421 118.700 -0.125 0.000 2.667 39 N HA -0.096 4.643 4.740 -0.000 0.000 0.263 39 N C -2.271 173.131 175.510 -0.180 0.000 1.038 39 N CA 0.966 53.921 53.050 -0.159 0.000 0.749 39 N CB -1.092 37.313 38.487 -0.137 0.000 0.892 39 N HN 0.439 nan 8.380 nan 0.000 0.546 40 P HA 0.027 nan 4.420 nan 0.000 0.220 40 P C 0.331 177.528 177.300 -0.172 0.000 1.152 40 P CA 0.622 63.566 63.100 -0.260 0.000 0.812 40 P CB 0.300 31.638 31.700 -0.605 0.000 0.792 41 c N 2.142 120.633 118.600 -0.181 0.000 2.576 41 c HA 0.291 4.861 4.570 -0.000 0.000 0.401 41 c C 0.684 174.702 174.090 -0.120 0.000 1.314 41 c CA -0.501 55.767 56.329 -0.103 0.000 1.855 41 c CB -0.886 41.580 42.510 -0.073 0.000 2.537 41 c HN 0.252 nan 8.230 nan 0.000 0.578 42 Q N 1.754 121.476 119.800 -0.129 0.000 2.194 42 Q HA 0.333 4.672 4.340 -0.000 0.000 0.245 42 Q C 0.400 176.254 176.000 -0.244 0.000 0.993 42 Q CA -0.500 55.187 55.803 -0.193 0.000 0.930 42 Q CB 0.461 29.063 28.738 -0.227 0.000 1.238 42 Q HN 0.747 nan 8.270 nan 0.000 0.486 43 N N 0.980 119.492 118.700 -0.313 0.000 2.708 43 N HA -0.247 4.492 4.740 -0.000 0.000 0.249 43 N C -0.615 174.805 175.510 -0.150 0.000 1.097 43 N CA 1.171 54.012 53.050 -0.348 0.000 0.710 43 N CB -0.499 37.465 38.487 -0.873 0.000 1.032 43 N HN 0.694 nan 8.380 nan 0.000 0.551 44 R N -4.126 116.302 120.500 -0.121 0.000 3.854 44 R HA -0.121 4.218 4.340 -0.000 0.000 0.430 44 R C 0.883 177.168 176.300 -0.025 0.000 1.068 44 R CA 1.059 57.117 56.100 -0.069 0.000 1.104 44 R CB -2.026 28.248 30.300 -0.044 0.000 1.729 44 R HN 0.395 nan 8.270 nan 0.000 0.533 45 G N 1.107 109.890 108.800 -0.029 0.000 2.594 45 G HA2 0.283 4.243 3.960 -0.000 0.000 0.243 45 G HA3 0.283 4.243 3.960 -0.000 0.000 0.243 45 G C -0.242 174.662 174.900 0.006 0.000 1.229 45 G CA -0.266 44.839 45.100 0.009 0.000 0.843 45 G HN 0.186 nan 8.290 nan 0.000 0.578 46 E N -0.455 119.769 120.200 0.040 0.000 2.171 46 E HA 0.302 4.651 4.350 -0.000 0.000 0.271 46 E C -0.668 175.964 176.600 0.053 0.000 0.916 46 E CA -0.588 55.844 56.400 0.053 0.000 0.774 46 E CB 1.926 31.687 29.700 0.103 0.000 1.128 46 E HN 0.421 nan 8.360 nan 0.000 0.403 47 c N 4.567 123.181 118.600 0.022 0.000 2.463 47 c HA 0.598 5.168 4.570 -0.000 0.000 0.380 47 c C -0.307 173.842 174.090 0.098 0.000 1.264 47 c CA -0.289 56.061 56.329 0.035 0.000 2.161 47 c CB -0.453 42.022 42.510 -0.059 0.000 2.515 47 c HN 0.815 nan 8.230 nan 0.000 0.565 48 M N 5.277 124.959 119.600 0.137 0.000 2.322 48 M HA 0.366 4.846 4.480 -0.000 0.000 0.286 48 M C -0.166 176.206 176.300 0.120 0.000 1.111 48 M CA -0.096 55.281 55.300 0.128 0.000 0.941 48 M CB 1.995 34.650 32.600 0.092 0.000 1.671 48 M HN 0.778 nan 8.290 nan 0.000 0.470 49 S N 2.468 118.202 115.700 0.056 0.000 2.549 49 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 49 S C 0.344 174.907 174.600 -0.063 0.000 1.321 49 S CA 0.059 58.230 58.200 -0.048 0.000 1.054 49 S CB 0.368 63.406 63.200 -0.270 0.000 0.899 49 S HN 0.744 nan 8.310 nan 0.000 0.497 50 T N -0.915 113.603 114.554 -0.060 0.000 3.516 50 T HA 0.669 5.019 4.350 -0.000 0.000 0.245 50 T C 0.466 175.105 174.700 -0.102 0.000 1.077 50 T CA -0.179 61.876 62.100 -0.074 0.000 1.222 50 T CB -0.445 68.395 68.868 -0.046 0.000 1.045 50 T HN 1.710 nan 8.240 nan 0.000 0.585 51 G N 0.477 109.174 108.800 -0.172 0.000 2.354 51 G HA2 0.150 4.110 3.960 -0.000 0.000 0.582 51 G HA3 0.150 4.110 3.960 -0.000 0.000 0.582 51 G C -0.346 174.414 174.900 -0.234 0.000 1.316 51 G CA -0.795 44.190 45.100 -0.192 0.000 0.995 51 G HN 0.071 nan 8.290 nan 0.000 0.573 52 F N 0.073 119.979 119.950 -0.074 0.000 2.293 52 F HA 0.143 4.670 4.527 -0.001 0.000 0.300 52 F C 2.133 177.869 175.800 -0.107 0.000 1.086 52 F CA 1.832 59.778 58.000 -0.090 0.000 1.375 52 F CB 0.292 39.252 39.000 -0.068 0.000 1.045 52 F HN 0.350 nan 8.300 nan 0.000 0.516 53 D N -2.028 118.420 120.400 0.080 0.000 2.500 53 D HA 0.069 4.709 4.640 -0.000 0.000 0.217 53 D C 0.321 176.627 176.300 0.010 0.000 1.159 53 D CA 0.391 54.403 54.000 0.021 0.000 0.828 53 D CB 0.445 41.261 40.800 0.026 0.000 1.039 53 D HN 0.055 nan 8.370 nan 0.000 0.512 54 Q N -0.153 119.644 119.800 -0.005 0.000 2.433 54 Q HA 0.570 4.910 4.340 -0.000 0.000 0.279 54 Q C -1.533 174.479 176.000 0.020 0.000 1.105 54 Q CA -0.930 54.850 55.803 -0.038 0.000 0.815 54 Q CB 2.354 31.040 28.738 -0.087 0.000 1.403 54 Q HN 0.344 nan 8.270 nan 0.000 0.435 55 Y N -1.319 118.971 120.300 -0.018 0.000 2.665 55 Y HA 0.868 5.418 4.550 -0.000 0.000 0.336 55 Y C -0.728 175.172 175.900 0.001 0.000 1.085 55 Y CA -1.275 56.820 58.100 -0.008 0.000 1.096 55 Y CB 1.811 40.283 38.460 0.020 0.000 1.301 55 Y HN 0.625 nan 8.280 nan 0.000 0.493 56 K N 1.138 121.693 120.400 0.259 0.000 2.513 56 K HA 0.619 4.939 4.320 -0.000 0.000 0.251 56 K C -1.925 174.828 176.600 0.256 0.000 0.939 56 K CA -0.578 55.813 56.287 0.173 0.000 0.793 56 K CB 1.746 34.285 32.500 0.066 0.000 1.241 56 K HN 0.944 nan 8.250 nan 0.000 0.431 57 c N 2.086 120.831 118.600 0.242 0.000 2.452 57 c HA 0.267 4.836 4.570 -0.000 0.000 0.379 57 c C -0.071 174.087 174.090 0.113 0.000 1.275 57 c CA -0.566 55.862 56.329 0.165 0.000 2.056 57 c CB 0.339 42.942 42.510 0.155 0.000 2.506 57 c HN 0.673 nan 8.230 nan 0.000 0.560 58 D N 1.565 122.021 120.400 0.092 0.000 2.412 58 D HA 0.261 4.901 4.640 -0.000 0.000 0.224 58 D C 0.174 176.522 176.300 0.080 0.000 1.093 58 D CA -0.335 53.712 54.000 0.080 0.000 0.850 58 D CB 0.716 41.559 40.800 0.072 0.000 1.046 58 D HN 0.630 nan 8.370 nan 0.000 0.507 59 c N 2.750 121.406 118.600 0.093 0.000 2.754 59 c HA 0.152 4.722 4.570 -0.000 0.000 0.276 59 c C 0.795 174.949 174.090 0.107 0.000 1.264 59 c CA -0.312 56.085 56.329 0.113 0.000 1.700 59 c CB -1.474 41.130 42.510 0.157 0.000 1.885 59 c HN 0.544 nan 8.230 nan 0.000 0.607 60 T N 1.944 116.545 114.554 0.078 0.000 2.800 60 T HA 0.003 4.353 4.350 -0.000 0.000 0.283 60 T C 0.969 175.706 174.700 0.062 0.000 0.999 60 T CA 0.680 62.816 62.100 0.061 0.000 1.176 60 T CB -0.070 68.824 68.868 0.043 0.000 0.973 60 T HN 0.621 nan 8.240 nan 0.000 0.519 61 R N 0.100 120.635 120.500 0.058 0.000 3.946 61 R HA -0.233 4.106 4.340 -0.000 0.000 0.329 61 R C 1.736 178.083 176.300 0.078 0.000 1.209 61 R CA 1.233 57.364 56.100 0.052 0.000 0.909 61 R CB -2.417 27.902 30.300 0.032 0.000 1.355 61 R HN 0.931 nan 8.270 nan 0.000 0.539 62 T N -4.346 110.280 114.554 0.122 0.000 3.023 62 T HA 0.168 4.518 4.350 -0.000 0.000 0.266 62 T C 1.546 176.406 174.700 0.267 0.000 1.093 62 T CA 1.081 63.295 62.100 0.190 0.000 1.129 62 T CB 0.560 69.556 68.868 0.213 0.000 0.899 62 T HN 0.694 nan 8.240 nan 0.000 0.491 63 G N 0.519 109.415 108.800 0.160 0.000 2.176 63 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.253 63 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.253 63 G C -0.081 174.718 174.900 -0.169 0.000 0.979 63 G CA 0.014 45.110 45.100 -0.006 0.000 0.641 63 G HN 0.578 nan 8.290 nan 0.000 0.530 64 F N -0.575 119.434 119.950 0.098 0.000 2.611 64 F HA 0.805 5.332 4.527 -0.000 0.000 0.324 64 F C 0.334 176.255 175.800 0.201 0.000 1.061 64 F CA -0.919 57.142 58.000 0.102 0.000 0.954 64 F CB 1.577 40.587 39.000 0.017 0.000 1.301 64 F HN 0.261 nan 8.300 nan 0.000 0.482 65 Y N -1.001 119.429 120.300 0.217 0.000 2.818 65 Y HA 0.917 5.467 4.550 -0.000 0.000 0.322 65 Y C -0.061 175.912 175.900 0.121 0.000 1.323 65 Y CA -1.401 56.778 58.100 0.132 0.000 1.090 65 Y CB 1.184 39.691 38.460 0.078 0.000 1.328 65 Y HN 1.033 nan 8.280 nan 0.000 0.482 66 G N 0.298 109.222 108.800 0.206 0.000 2.655 66 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.680 66 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.680 66 G C 0.197 175.151 174.900 0.090 0.000 1.302 66 G CA 0.002 45.153 45.100 0.085 0.000 0.872 66 G HN 1.144 nan 8.290 nan 0.000 0.540 67 E N -0.393 119.847 120.200 0.066 0.000 2.097 67 E HA -0.171 4.178 4.350 -0.000 0.000 0.196 67 E C 1.385 178.062 176.600 0.128 0.000 1.000 67 E CA 1.676 58.121 56.400 0.076 0.000 0.804 67 E CB -0.080 29.648 29.700 0.048 0.000 0.740 67 E HN 0.387 nan 8.360 nan 0.000 0.454 68 N N -0.709 118.046 118.700 0.091 0.000 2.282 68 N HA 0.096 4.836 4.740 -0.000 0.000 0.240 68 N C -0.810 174.705 175.510 0.009 0.000 1.182 68 N CA 0.272 53.366 53.050 0.074 0.000 0.874 68 N CB 0.465 38.982 38.487 0.051 0.000 1.126 68 N HN 0.132 nan 8.380 nan 0.000 0.516 69 c N 0.781 119.403 118.600 0.038 0.000 3.899 69 c HA -0.129 4.441 4.570 -0.000 0.000 0.297 69 c C 1.869 175.930 174.090 -0.049 0.000 1.371 69 c CA 1.121 57.477 56.329 0.044 0.000 2.088 69 c CB -3.039 39.492 42.510 0.036 0.000 1.346 69 c HN 0.603 nan 8.230 nan 0.000 0.658 70 T N -4.539 110.002 114.554 -0.021 0.000 2.999 70 T HA 0.104 4.454 4.350 -0.000 0.000 0.247 70 T C 0.460 175.230 174.700 0.117 0.000 1.012 70 T CA 0.766 62.845 62.100 -0.035 0.000 1.048 70 T CB -0.010 68.826 68.868 -0.054 0.000 1.020 70 T HN 0.533 nan 8.240 nan 0.000 0.478 71 T N 5.273 119.793 114.554 -0.057 0.000 2.751 71 T HA 0.363 4.713 4.350 -0.000 0.000 0.290 71 T C -2.680 171.900 174.700 -0.200 0.000 0.919 71 T CA -0.885 61.057 62.100 -0.263 0.000 1.136 71 T CB 0.696 69.101 68.868 -0.773 0.000 0.875 71 T HN 0.247 nan 8.240 nan 0.000 0.532 72 P HA 0.281 nan 4.420 nan 0.000 0.278 72 P C 0.145 177.377 177.300 -0.113 0.000 1.238 72 P CA -0.571 62.331 63.100 -0.330 0.000 0.794 72 P CB 0.804 32.332 31.700 -0.287 0.000 0.955 73 E N 0.742 120.874 120.200 -0.114 0.000 2.371 73 E HA 0.061 4.411 4.350 -0.000 0.000 0.257 73 E C 0.586 177.207 176.600 0.035 0.000 1.134 73 E CA -0.354 56.095 56.400 0.082 0.000 0.919 73 E CB 0.191 29.918 29.700 0.045 0.000 1.025 73 E HN 0.375 nan 8.360 nan 0.000 0.438 74 F N 1.503 121.439 119.950 -0.023 0.000 2.095 74 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 74 F C 2.121 177.889 175.800 -0.055 0.000 1.104 74 F CA 1.384 59.365 58.000 -0.033 0.000 1.232 74 F CB -0.419 38.569 39.000 -0.020 0.000 0.987 74 F HN 0.318 nan 8.300 nan 0.000 0.475 75 L N -0.340 120.846 121.223 -0.062 0.000 2.083 75 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 75 L C 2.373 179.116 176.870 -0.213 0.000 1.083 75 L CA 2.559 57.305 54.840 -0.158 0.000 0.752 75 L CB -1.479 40.559 42.059 -0.036 0.000 0.899 75 L HN 0.544 nan 8.230 nan 0.000 0.433 76 T N -1.332 113.095 114.554 -0.212 0.000 2.867 76 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 76 T C 2.001 176.551 174.700 -0.251 0.000 1.057 76 T CA 1.398 63.337 62.100 -0.268 0.000 1.136 76 T CB -0.307 68.276 68.868 -0.474 0.000 0.874 76 T HN 0.493 nan 8.240 nan 0.000 0.466 77 R N 0.449 120.794 120.500 -0.258 0.000 2.081 77 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 77 R C 2.259 178.423 176.300 -0.228 0.000 1.131 77 R CA 1.054 57.024 56.100 -0.216 0.000 0.960 77 R CB -0.346 29.829 30.300 -0.208 0.000 0.856 77 R HN 0.320 nan 8.270 nan 0.000 0.436 78 I N 0.736 121.114 120.570 -0.321 0.000 2.353 78 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 78 I C 2.246 178.266 176.117 -0.161 0.000 1.119 78 I CA 1.237 62.377 61.300 -0.267 0.000 1.417 78 I CB -0.816 36.981 38.000 -0.338 0.000 1.078 78 I HN -0.006 nan 8.210 nan 0.000 0.421 79 K N 0.604 120.916 120.400 -0.147 0.000 2.097 79 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 79 K C 2.125 178.692 176.600 -0.054 0.000 1.050 79 K CA 0.668 56.901 56.287 -0.090 0.000 0.938 79 K CB -0.689 31.759 32.500 -0.087 0.000 0.718 79 K HN 0.397 nan 8.250 nan 0.000 0.442 80 L N 0.435 121.624 121.223 -0.056 0.000 2.478 80 L HA 0.025 4.365 4.340 -0.000 0.000 0.223 80 L C 2.349 179.207 176.870 -0.021 0.000 1.140 80 L CA 0.391 55.223 54.840 -0.013 0.000 0.842 80 L CB -0.242 41.825 42.059 0.014 0.000 0.953 80 L HN 0.135 nan 8.230 nan 0.000 0.452 81 L N -1.216 119.978 121.223 -0.049 0.000 2.307 81 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 81 L C 2.133 178.980 176.870 -0.038 0.000 1.099 81 L CA 0.586 55.398 54.840 -0.046 0.000 0.816 81 L CB 0.352 42.370 42.059 -0.069 0.000 0.952 81 L HN 0.257 nan 8.230 nan 0.000 0.455 82 L N -0.845 120.353 121.223 -0.042 0.000 2.463 82 L HA 0.412 4.752 4.340 -0.000 0.000 0.219 82 L C 1.658 178.517 176.870 -0.019 0.000 1.088 82 L CA 0.823 55.641 54.840 -0.037 0.000 0.849 82 L CB -1.222 40.808 42.059 -0.049 0.000 1.012 82 L HN 0.569 nan 8.230 nan 0.000 0.468 83 K N 2.006 122.405 120.400 -0.002 0.000 2.349 83 K HA 0.475 4.794 4.320 -0.000 0.000 0.288 83 K C -2.028 174.590 176.600 0.030 0.000 1.058 83 K CA -1.261 55.042 56.287 0.027 0.000 0.953 83 K CB -0.946 31.583 32.500 0.048 0.000 0.997 83 K HN 0.407 nan 8.250 nan 0.000 0.477 84 P HA 0.211 nan 4.420 nan 0.000 0.277 84 P C 0.040 177.373 177.300 0.055 0.000 1.240 84 P CA -0.259 62.864 63.100 0.038 0.000 0.798 84 P CB 0.743 32.468 31.700 0.041 0.000 0.979 85 T N -1.184 113.397 114.554 0.045 0.000 2.926 85 T HA 0.146 4.495 4.350 -0.000 0.000 0.307 85 T C -1.781 172.962 174.700 0.072 0.000 1.059 85 T CA -1.196 60.932 62.100 0.048 0.000 1.122 85 T CB -0.115 68.771 68.868 0.030 0.000 0.972 85 T HN 0.184 nan 8.240 nan 0.000 0.545 86 P HA -0.078 nan 4.420 nan 0.000 0.219 86 P C 1.321 178.697 177.300 0.127 0.000 1.146 86 P CA 0.764 63.921 63.100 0.095 0.000 0.808 86 P CB 0.019 31.758 31.700 0.066 0.000 0.779 87 N N -1.417 117.344 118.700 0.102 0.000 2.188 87 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 87 N C 1.606 177.226 175.510 0.184 0.000 1.018 87 N CA 1.423 54.554 53.050 0.134 0.000 0.858 87 N CB -1.083 37.453 38.487 0.082 0.000 0.989 87 N HN 0.151 nan 8.380 nan 0.000 0.426 88 T N 0.991 115.620 114.554 0.126 0.000 2.777 88 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 88 T C 2.177 176.989 174.700 0.187 0.000 1.040 88 T CA 0.821 62.994 62.100 0.122 0.000 1.141 88 T CB -0.265 68.639 68.868 0.059 0.000 0.868 88 T HN -0.025 nan 8.240 nan 0.000 0.444 89 V N 1.305 121.316 119.914 0.162 0.000 2.427 89 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 89 V C 2.385 178.567 176.094 0.146 0.000 1.051 89 V CA 1.611 63.997 62.300 0.144 0.000 1.048 89 V CB -0.766 31.133 31.823 0.125 0.000 0.666 89 V HN 0.632 nan 8.190 nan 0.000 0.456 90 H N -1.092 118.049 119.070 0.117 0.000 2.389 90 H HA -0.219 4.337 4.556 -0.000 0.000 0.299 90 H C 2.304 177.740 175.328 0.180 0.000 1.081 90 H CA 2.215 58.339 56.048 0.128 0.000 1.345 90 H CB -0.056 29.802 29.762 0.160 0.000 1.393 90 H HN 0.521 nan 8.280 nan 0.000 0.520 91 Y N 1.279 121.663 120.300 0.139 0.000 2.097 91 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 91 Y C 2.656 178.683 175.900 0.211 0.000 1.152 91 Y CA 2.035 60.205 58.100 0.117 0.000 1.136 91 Y CB -0.476 37.999 38.460 0.025 0.000 0.975 91 Y HN 0.102 nan 8.280 nan 0.000 0.498 92 I N -0.195 120.631 120.570 0.426 0.000 2.208 92 I HA -0.351 3.819 4.170 -0.000 0.000 0.245 92 I C 2.206 178.655 176.117 0.554 0.000 1.097 92 I CA 1.477 63.103 61.300 0.543 0.000 1.363 92 I CB -0.473 37.746 38.000 0.364 0.000 1.051 92 I HN 0.255 nan 8.210 nan 0.000 0.413 93 L N 0.069 121.365 121.223 0.121 0.000 2.291 93 L HA -0.106 4.233 4.340 -0.000 0.000 0.214 93 L C 2.324 178.994 176.870 -0.333 0.000 1.120 93 L CA 1.474 56.124 54.840 -0.316 0.000 0.799 93 L CB -0.560 40.929 42.059 -0.950 0.000 0.925 93 L HN 0.418 nan 8.230 nan 0.000 0.446 94 T N -5.161 109.241 114.554 -0.252 0.000 3.069 94 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 94 T C 0.425 174.928 174.700 -0.329 0.000 1.053 94 T CA -0.164 61.670 62.100 -0.443 0.000 0.964 94 T CB -0.073 68.507 68.868 -0.481 0.000 1.005 94 T HN 0.173 nan 8.240 nan 0.000 0.532 95 H N -0.674 118.367 119.070 -0.048 0.000 2.896 95 H HA 0.600 5.156 4.556 -0.000 0.000 0.318 95 H C -0.557 174.964 175.328 0.321 0.000 1.409 95 H CA -1.771 54.219 56.048 -0.097 0.000 1.328 95 H CB 0.390 29.653 29.762 -0.832 0.000 1.940 95 H HN 0.021 nan 8.280 nan 0.000 0.665 96 F N -1.300 118.808 119.950 0.262 0.000 3.039 96 F HA -0.301 4.226 4.527 -0.000 0.000 0.287 96 F C 1.729 177.600 175.800 0.118 0.000 0.956 96 F CA 0.811 58.889 58.000 0.130 0.000 0.971 96 F CB -1.867 37.150 39.000 0.028 0.000 0.943 96 F HN 0.352 nan 8.300 nan 0.000 0.766 97 K N 0.771 121.197 120.400 0.043 0.000 2.074 97 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 97 K C 2.208 178.804 176.600 -0.007 0.000 1.048 97 K CA 1.742 57.881 56.287 -0.246 0.000 0.926 97 K CB -0.993 31.160 32.500 -0.578 0.000 0.713 97 K HN 0.700 nan 8.250 nan 0.000 0.444 98 G N -0.269 108.538 108.800 0.011 0.000 2.408 98 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 98 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 98 G C 1.613 176.533 174.900 0.032 0.000 1.150 98 G CA 0.965 46.079 45.100 0.022 0.000 0.776 98 G HN 0.407 nan 8.290 nan 0.000 0.542 99 V N -0.379 119.538 119.914 0.006 0.000 2.295 99 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 99 V C 2.411 178.438 176.094 -0.111 0.000 1.049 99 V CA 1.670 63.894 62.300 -0.126 0.000 1.024 99 V CB -0.769 30.874 31.823 -0.298 0.000 0.648 99 V HN 0.594 nan 8.190 nan 0.000 0.447 100 W N 0.165 121.528 121.300 0.107 0.000 2.392 100 W HA -0.127 4.533 4.660 -0.000 0.000 0.279 100 W C 2.481 179.071 176.519 0.119 0.000 1.225 100 W CA 1.058 58.492 57.345 0.150 0.000 1.233 100 W CB -0.462 29.138 29.460 0.233 0.000 1.122 100 W HN 0.264 nan 8.180 nan 0.000 0.561 101 N N 0.432 119.287 118.700 0.257 0.000 2.244 101 N HA -0.146 4.593 4.740 -0.000 0.000 0.183 101 N C 1.506 177.088 175.510 0.121 0.000 1.016 101 N CA 1.456 54.599 53.050 0.156 0.000 0.866 101 N CB -0.392 38.146 38.487 0.085 0.000 0.980 101 N HN -0.043 nan 8.380 nan 0.000 0.430 102 I N -0.942 119.684 120.570 0.094 0.000 2.233 102 I HA -0.079 4.091 4.170 -0.000 0.000 0.243 102 I C 2.254 178.432 176.117 0.103 0.000 1.093 102 I CA 0.518 61.858 61.300 0.067 0.000 1.380 102 I CB -0.880 37.131 38.000 0.019 0.000 1.067 102 I HN 0.113 nan 8.210 nan 0.000 0.413 103 V N 0.763 120.760 119.914 0.138 0.000 2.332 103 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 103 V C 1.620 177.884 176.094 0.283 0.000 1.055 103 V CA 1.718 64.148 62.300 0.217 0.000 1.038 103 V CB -1.014 31.002 31.823 0.321 0.000 0.651 103 V HN 0.543 nan 8.190 nan 0.000 0.450 104 N N 0.290 119.161 118.700 0.285 0.000 2.530 104 N HA 0.047 4.787 4.740 -0.000 0.000 0.216 104 N C 0.131 175.710 175.510 0.115 0.000 1.315 104 N CA 0.058 53.218 53.050 0.185 0.000 0.858 104 N CB -0.920 37.650 38.487 0.138 0.000 1.138 104 N HN 0.323 nan 8.380 nan 0.000 0.473 105 I N 0.867 121.503 120.570 0.110 0.000 2.736 105 I HA -0.201 3.969 4.170 -0.000 0.000 0.131 105 I C -0.936 175.270 176.117 0.148 0.000 0.883 105 I CA -0.600 60.774 61.300 0.124 0.000 2.779 105 I CB -1.087 36.990 38.000 0.129 0.000 0.555 105 I HN 0.227 nan 8.210 nan 0.000 0.352 106 P HA -0.163 nan 4.420 nan 0.000 0.215 106 P C 1.711 179.125 177.300 0.190 0.000 1.153 106 P CA 1.310 64.497 63.100 0.146 0.000 0.853 106 P CB 0.015 31.792 31.700 0.129 0.000 0.788 107 F N 0.145 120.136 119.950 0.069 0.000 2.102 107 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 107 F C 2.059 177.908 175.800 0.082 0.000 1.105 107 F CA 1.406 59.446 58.000 0.066 0.000 1.239 107 F CB -1.096 37.933 39.000 0.049 0.000 0.991 107 F HN -0.260 nan 8.300 nan 0.000 0.474 108 L N -0.002 121.204 121.223 -0.029 0.000 2.046 108 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 108 L C 2.795 179.680 176.870 0.026 0.000 1.077 108 L CA 1.640 56.423 54.840 -0.095 0.000 0.747 108 L CB -0.554 41.532 42.059 0.045 0.000 0.896 108 L HN 0.107 nan 8.230 nan 0.000 0.432 109 R N -0.831 119.760 120.500 0.152 0.000 2.075 109 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 109 R C 2.380 178.822 176.300 0.236 0.000 1.126 109 R CA 1.598 57.883 56.100 0.308 0.000 0.963 109 R CB -0.041 30.388 30.300 0.214 0.000 0.858 109 R HN 0.224 nan 8.270 nan 0.000 0.435 110 S N 0.995 116.749 115.700 0.089 0.000 2.383 110 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 110 S C 1.766 176.360 174.600 -0.011 0.000 1.026 110 S CA 0.917 59.145 58.200 0.046 0.000 0.981 110 S CB -0.140 63.084 63.200 0.040 0.000 0.818 110 S HN 0.327 nan 8.310 nan 0.000 0.472 111 L N 1.075 122.211 121.223 -0.146 0.000 2.056 111 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 111 L C 1.940 178.774 176.870 -0.060 0.000 1.078 111 L CA 1.318 56.046 54.840 -0.186 0.000 0.749 111 L CB -0.202 41.607 42.059 -0.416 0.000 0.901 111 L HN 0.302 nan 8.230 nan 0.000 0.433 112 I N -1.241 119.309 120.570 -0.033 0.000 2.233 112 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 112 I C 2.471 178.613 176.117 0.041 0.000 1.093 112 I CA 0.969 62.229 61.300 -0.067 0.000 1.380 112 I CB -0.196 37.618 38.000 -0.310 0.000 1.067 112 I HN 0.340 nan 8.210 nan 0.000 0.413 113 M N 1.264 120.997 119.600 0.223 0.000 2.149 113 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 113 M C 2.137 178.513 176.300 0.127 0.000 1.064 113 M CA 1.823 57.286 55.300 0.273 0.000 1.102 113 M CB -0.529 32.243 32.600 0.287 0.000 1.369 113 M HN -0.014 nan 8.290 nan 0.000 0.408 114 K N -1.596 118.853 120.400 0.083 0.000 2.063 114 K HA -0.244 4.075 4.320 -0.000 0.000 0.208 114 K C 2.095 178.741 176.600 0.077 0.000 1.048 114 K CA 1.781 58.096 56.287 0.046 0.000 0.928 114 K CB -0.463 32.057 32.500 0.034 0.000 0.713 114 K HN 0.456 nan 8.250 nan 0.000 0.442 115 Y N 0.854 121.146 120.300 -0.013 0.000 2.242 115 Y HA -0.169 4.380 4.550 -0.000 0.000 0.291 115 Y C 1.811 177.722 175.900 0.019 0.000 1.137 115 Y CA 1.027 59.124 58.100 -0.006 0.000 1.181 115 Y CB -0.140 38.302 38.460 -0.031 0.000 0.989 115 Y HN -0.166 nan 8.280 nan 0.000 0.527 116 V N 0.494 120.425 119.914 0.028 0.000 2.324 116 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 116 V C 2.377 178.447 176.094 -0.041 0.000 1.060 116 V CA 2.242 64.542 62.300 0.001 0.000 1.042 116 V CB -0.808 31.093 31.823 0.130 0.000 0.650 116 V HN 0.427 nan 8.190 nan 0.000 0.450 117 L N 0.120 121.328 121.223 -0.026 0.000 2.072 117 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 117 L C 2.754 179.592 176.870 -0.053 0.000 1.079 117 L CA 1.945 56.760 54.840 -0.043 0.000 0.752 117 L CB -1.014 40.993 42.059 -0.088 0.000 0.906 117 L HN 0.572 nan 8.230 nan 0.000 0.436 118 T N -3.495 111.011 114.554 -0.080 0.000 2.809 118 T HA -0.128 4.222 4.350 -0.000 0.000 0.260 118 T C 2.031 176.708 174.700 -0.038 0.000 1.039 118 T CA 0.957 63.037 62.100 -0.032 0.000 1.141 118 T CB -0.645 68.216 68.868 -0.012 0.000 0.869 118 T HN 0.359 nan 8.240 nan 0.000 0.437 119 S N 1.035 116.572 115.700 -0.271 0.000 2.493 119 S HA -0.030 4.439 4.470 -0.000 0.000 0.243 119 S C 2.077 176.683 174.600 0.010 0.000 0.991 119 S CA 0.782 58.838 58.200 -0.240 0.000 0.957 119 S CB -0.457 62.222 63.200 -0.868 0.000 0.756 119 S HN 0.538 nan 8.310 nan 0.000 0.521 120 R N -0.173 120.297 120.500 -0.051 0.000 2.250 120 R HA 0.324 4.664 4.340 -0.000 0.000 0.194 120 R C 1.852 178.093 176.300 -0.098 0.000 0.927 120 R CA 0.622 56.674 56.100 -0.080 0.000 1.052 120 R CB 0.058 30.330 30.300 -0.046 0.000 1.055 120 R HN 0.382 nan 8.270 nan 0.000 0.537 121 S N -0.001 115.706 115.700 0.012 0.000 2.496 121 S HA -0.092 4.377 4.470 -0.000 0.000 0.224 121 S C 1.246 175.853 174.600 0.012 0.000 0.996 121 S CA 0.386 58.618 58.200 0.053 0.000 0.927 121 S CB -0.049 63.294 63.200 0.238 0.000 0.774 121 S HN 0.523 nan 8.310 nan 0.000 0.524 122 Y N 1.014 121.293 120.300 -0.034 0.000 2.497 122 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 122 Y C 1.339 177.180 175.900 -0.097 0.000 1.137 122 Y CA 0.551 58.618 58.100 -0.056 0.000 1.285 122 Y CB -0.675 37.758 38.460 -0.044 0.000 0.991 122 Y HN 0.090 nan 8.280 nan 0.000 0.556 123 L N 0.966 121.749 121.223 -0.733 0.000 2.551 123 L HA 0.014 4.353 4.340 -0.000 0.000 0.228 123 L C -0.085 176.511 176.870 -0.456 0.000 1.153 123 L CA 0.167 54.581 54.840 -0.709 0.000 0.851 123 L CB -0.159 41.507 42.059 -0.654 0.000 0.959 123 L HN 0.217 nan 8.230 nan 0.000 0.451 124 I N -0.532 119.875 120.570 -0.271 0.000 2.406 124 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 124 I C -0.511 175.538 176.117 -0.113 0.000 0.999 124 I CA -0.871 60.331 61.300 -0.163 0.000 1.124 124 I CB 1.319 39.264 38.000 -0.092 0.000 1.289 124 I HN -0.146 nan 8.210 nan 0.000 0.441 125 D N 4.264 124.612 120.400 -0.087 0.000 2.358 125 D HA 0.189 4.828 4.640 -0.000 0.000 0.258 125 D C 0.130 176.378 176.300 -0.086 0.000 1.223 125 D CA 0.538 54.485 54.000 -0.089 0.000 0.886 125 D CB 0.959 41.700 40.800 -0.099 0.000 1.120 125 D HN 0.395 nan 8.370 nan 0.000 0.482 126 S N 2.651 118.289 115.700 -0.104 0.000 2.680 126 S HA 0.391 4.860 4.470 -0.000 0.000 0.262 126 S C -2.723 171.810 174.600 -0.112 0.000 1.138 126 S CA -1.274 56.857 58.200 -0.115 0.000 1.072 126 S CB 0.761 63.862 63.200 -0.165 0.000 1.097 126 S HN 0.017 nan 8.310 nan 0.000 0.468 127 P HA 0.237 nan 4.420 nan 0.000 0.268 127 P C -2.534 174.727 177.300 -0.065 0.000 1.208 127 P CA -0.766 62.308 63.100 -0.043 0.000 0.777 127 P CB -0.096 31.574 31.700 -0.051 0.000 0.875 128 P HA 0.041 nan 4.420 nan 0.000 0.274 128 P C 0.110 177.322 177.300 -0.147 0.000 1.246 128 P CA -0.060 62.984 63.100 -0.093 0.000 0.795 128 P CB 0.777 32.411 31.700 -0.110 0.000 1.006 129 T N -1.394 113.016 114.554 -0.239 0.000 3.556 129 T HA 0.187 4.537 4.350 -0.000 0.000 0.204 129 T C 0.516 174.960 174.700 -0.426 0.000 0.896 129 T CA 0.249 62.069 62.100 -0.467 0.000 1.380 129 T CB -0.853 67.496 68.868 -0.865 0.000 1.584 129 T HN 0.247 nan 8.240 nan 0.000 0.411 130 Y N 3.573 123.826 120.300 -0.079 0.000 2.334 130 Y HA 0.634 5.184 4.550 -0.000 0.000 0.325 130 Y C 0.742 176.572 175.900 -0.117 0.000 1.308 130 Y CA -0.936 57.105 58.100 -0.098 0.000 1.389 130 Y CB 0.417 38.833 38.460 -0.073 0.000 1.328 130 Y HN 0.743 nan 8.280 nan 0.000 0.532 131 N N -2.605 116.115 118.700 0.033 0.000 3.204 131 N HA 0.194 4.933 4.740 -0.000 0.000 0.285 131 N C -0.227 175.244 175.510 -0.065 0.000 1.536 131 N CA -0.744 52.263 53.050 -0.071 0.000 0.832 131 N CB 0.564 38.869 38.487 -0.303 0.000 1.645 131 N HN 0.414 nan 8.380 nan 0.000 0.586 132 V N -0.212 119.649 119.914 -0.089 0.000 2.568 132 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 132 V C 1.211 177.284 176.094 -0.035 0.000 1.072 132 V CA 1.986 64.246 62.300 -0.067 0.000 1.084 132 V CB -0.958 30.800 31.823 -0.109 0.000 0.676 132 V HN 0.707 nan 8.190 nan 0.000 0.469 133 H N -3.046 115.953 119.070 -0.118 0.000 2.592 133 H HA 0.202 4.757 4.556 -0.000 0.000 0.265 133 H C -0.435 174.495 175.328 -0.664 0.000 0.955 133 H CA 0.023 55.885 56.048 -0.311 0.000 1.175 133 H CB 0.429 30.026 29.762 -0.275 0.000 1.433 133 H HN 0.468 nan 8.280 nan 0.000 0.537 134 Y N -0.181 120.032 120.300 -0.146 0.000 2.363 134 Y HA 0.290 4.840 4.550 -0.000 0.000 0.325 134 Y C 0.917 176.684 175.900 -0.223 0.000 0.984 134 Y CA -0.805 57.081 58.100 -0.356 0.000 1.248 134 Y CB 1.782 39.937 38.460 -0.508 0.000 1.116 134 Y HN 0.059 nan 8.280 nan 0.000 0.470 135 G N 2.231 110.981 108.800 -0.083 0.000 2.985 135 G HA2 0.040 3.999 3.960 -0.000 0.000 0.209 135 G HA3 0.040 3.999 3.960 -0.000 0.000 0.209 135 G C -0.248 174.719 174.900 0.112 0.000 1.165 135 G CA 0.254 45.315 45.100 -0.065 0.000 0.776 135 G HN 0.586 nan 8.290 nan 0.000 0.541 136 Y N -1.829 118.656 120.300 0.309 0.000 2.536 136 Y HA 0.702 5.252 4.550 -0.000 0.000 0.347 136 Y C -0.087 176.003 175.900 0.316 0.000 1.000 136 Y CA -2.165 56.143 58.100 0.347 0.000 1.051 136 Y CB 1.158 39.749 38.460 0.219 0.000 1.259 136 Y HN -0.255 nan 8.280 nan 0.000 0.468 137 K N 2.302 122.870 120.400 0.281 0.000 2.412 137 K HA 0.435 4.754 4.320 -0.000 0.000 0.281 137 K C -0.342 176.318 176.600 0.099 0.000 1.027 137 K CA 0.169 56.467 56.287 0.017 0.000 0.989 137 K CB 0.556 33.022 32.500 -0.058 0.000 0.935 137 K HN 0.915 nan 8.250 nan 0.000 0.475 138 S N 1.224 116.882 115.700 -0.070 0.000 2.596 138 S HA 0.207 4.677 4.470 -0.000 0.000 0.270 138 S C 0.059 174.630 174.600 -0.049 0.000 1.155 138 S CA -1.119 57.055 58.200 -0.044 0.000 0.827 138 S CB 0.672 63.717 63.200 -0.259 0.000 1.130 138 S HN 0.878 nan 8.310 nan 0.000 0.467 139 W N 1.032 122.271 121.300 -0.102 0.000 2.388 139 W HA -0.026 4.634 4.660 0.000 0.000 0.294 139 W C 1.580 178.062 176.519 -0.062 0.000 1.212 139 W CA 1.660 58.998 57.345 -0.012 0.000 1.271 139 W CB -0.117 29.357 29.460 0.022 0.000 1.126 139 W HN 0.875 nan 8.180 nan 0.000 0.535 140 E N 0.554 120.683 120.200 -0.118 0.000 2.070 140 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 140 E C 2.240 178.615 176.600 -0.376 0.000 1.004 140 E CA 1.772 58.032 56.400 -0.232 0.000 0.805 140 E CB -0.656 28.832 29.700 -0.353 0.000 0.744 140 E HN 0.247 nan 8.360 nan 0.000 0.451 141 A N 0.425 122.897 122.820 -0.581 0.000 1.877 141 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 141 A C 2.128 179.499 177.584 -0.354 0.000 1.186 141 A CA 1.498 53.246 52.037 -0.482 0.000 0.620 141 A CB -0.843 17.899 19.000 -0.430 0.000 0.822 141 A HN 0.357 nan 8.150 nan 0.000 0.443 142 F N 1.821 121.470 119.950 -0.502 0.000 2.146 142 F HA -0.131 4.395 4.527 -0.000 0.000 0.298 142 F C 2.559 178.024 175.800 -0.559 0.000 1.096 142 F CA 2.116 59.780 58.000 -0.559 0.000 1.275 142 F CB -0.328 38.230 39.000 -0.737 0.000 1.008 142 F HN 0.279 nan 8.300 nan 0.000 0.480 143 S N -0.731 114.414 115.700 -0.926 0.000 2.478 143 S HA 0.010 4.480 4.470 -0.000 0.000 0.222 143 S C 0.901 175.255 174.600 -0.411 0.000 1.008 143 S CA 0.012 57.704 58.200 -0.847 0.000 0.928 143 S CB -0.724 62.140 63.200 -0.560 0.000 0.781 143 S HN 0.377 nan 8.310 nan 0.000 0.518 144 N N 1.976 120.540 118.700 -0.228 0.000 2.482 144 N HA 0.252 4.992 4.740 -0.000 0.000 0.242 144 N C 0.448 175.973 175.510 0.025 0.000 1.100 144 N CA -0.189 52.865 53.050 0.007 0.000 0.946 144 N CB 0.443 39.084 38.487 0.257 0.000 1.227 144 N HN 0.386 nan 8.380 nan 0.000 0.508 145 L N 1.593 122.798 121.223 -0.029 0.000 2.551 145 L HA -0.029 4.311 4.340 -0.000 0.000 0.228 145 L C 1.802 178.770 176.870 0.162 0.000 1.153 145 L CA 0.316 55.181 54.840 0.041 0.000 0.851 145 L CB -0.097 41.984 42.059 0.036 0.000 0.959 145 L HN 0.399 nan 8.230 nan 0.000 0.451 146 S N -1.479 114.267 115.700 0.076 0.000 2.481 146 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 146 S C 0.385 174.945 174.600 -0.067 0.000 0.996 146 S CA 0.508 58.713 58.200 0.009 0.000 0.942 146 S CB -0.177 63.036 63.200 0.022 0.000 0.768 146 S HN 0.241 nan 8.310 nan 0.000 0.520 147 Y N 0.308 120.565 120.300 -0.072 0.000 2.299 147 Y HA 0.333 4.883 4.550 -0.000 0.000 0.326 147 Y C 0.128 175.941 175.900 -0.144 0.000 1.164 147 Y CA -1.103 56.835 58.100 -0.270 0.000 1.234 147 Y CB 0.306 38.605 38.460 -0.267 0.000 1.219 147 Y HN 0.043 nan 8.280 nan 0.000 0.497 148 Y N 0.994 121.334 120.300 0.068 0.000 2.411 148 Y HA 0.064 4.613 4.550 -0.000 0.000 0.333 148 Y C 1.063 176.992 175.900 0.048 0.000 1.186 148 Y CA 0.084 58.243 58.100 0.098 0.000 1.381 148 Y CB 0.523 39.003 38.460 0.034 0.000 1.273 148 Y HN 0.560 nan 8.280 nan 0.000 0.546 149 T N 3.513 118.182 114.554 0.192 0.000 2.732 149 T HA 0.407 4.757 4.350 -0.000 0.000 0.287 149 T C -0.295 174.461 174.700 0.093 0.000 0.993 149 T CA -0.672 61.470 62.100 0.071 0.000 0.966 149 T CB 0.316 69.185 68.868 0.002 0.000 1.047 149 T HN 0.441 nan 8.240 nan 0.000 0.527 150 R N 0.976 121.532 120.500 0.094 0.000 2.532 150 R HA 0.527 4.867 4.340 -0.000 0.000 0.297 150 R C 0.589 177.009 176.300 0.199 0.000 0.984 150 R CA -0.484 55.687 56.100 0.119 0.000 0.884 150 R CB 1.425 31.780 30.300 0.092 0.000 1.182 150 R HN 0.707 nan 8.270 nan 0.000 0.442 151 A N 2.672 125.651 122.820 0.264 0.000 2.066 151 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 151 A C 0.408 178.091 177.584 0.166 0.000 1.157 151 A CA 1.156 53.384 52.037 0.319 0.000 0.670 151 A CB 0.174 19.558 19.000 0.641 0.000 0.804 151 A HN 0.342 nan 8.150 nan 0.000 0.453 152 L N -0.183 121.091 121.223 0.085 0.000 2.464 152 L HA 0.471 4.811 4.340 -0.000 0.000 0.266 152 L C -2.642 174.101 176.870 -0.212 0.000 0.965 152 L CA -2.292 52.444 54.840 -0.174 0.000 0.833 152 L CB 2.365 44.090 42.059 -0.556 0.000 1.296 152 L HN -0.112 nan 8.230 nan 0.000 0.405 153 P HA 0.206 nan 4.420 nan 0.000 0.269 153 P C -2.760 174.391 177.300 -0.247 0.000 1.215 153 P CA -1.025 61.789 63.100 -0.476 0.000 0.780 153 P CB -0.358 30.867 31.700 -0.792 0.000 0.898 154 P HA 0.019 nan 4.420 nan 0.000 0.272 154 P C -0.194 177.055 177.300 -0.085 0.000 1.223 154 P CA -0.012 63.053 63.100 -0.059 0.000 0.784 154 P CB 0.360 32.056 31.700 -0.006 0.000 0.923 155 V N 2.158 122.050 119.914 -0.037 0.000 2.599 155 V HA 0.090 4.210 4.120 -0.000 0.000 0.300 155 V C 1.314 177.380 176.094 -0.046 0.000 1.034 155 V CA 0.044 62.315 62.300 -0.048 0.000 1.115 155 V CB -0.375 31.448 31.823 -0.001 0.000 0.934 155 V HN 0.754 nan 8.190 nan 0.000 0.485 156 A N 4.101 126.867 122.820 -0.090 0.000 2.507 156 A HA 0.094 4.414 4.320 -0.000 0.000 0.235 156 A C 1.211 178.802 177.584 0.013 0.000 1.070 156 A CA -0.151 51.847 52.037 -0.064 0.000 0.768 156 A CB -0.018 18.901 19.000 -0.135 0.000 1.011 156 A HN 0.910 nan 8.150 nan 0.000 0.502 157 D N 0.668 121.093 120.400 0.042 0.000 2.144 157 D HA -0.143 4.496 4.640 -0.000 0.000 0.199 157 D C 1.031 177.370 176.300 0.065 0.000 0.984 157 D CA 1.844 55.877 54.000 0.055 0.000 0.834 157 D CB -0.172 40.664 40.800 0.060 0.000 0.955 157 D HN 0.778 nan 8.370 nan 0.000 0.465 158 D N -0.059 120.399 120.400 0.097 0.000 2.340 158 D HA -0.047 4.592 4.640 -0.000 0.000 0.220 158 D C 0.305 176.671 176.300 0.111 0.000 1.039 158 D CA -0.281 53.790 54.000 0.118 0.000 0.866 158 D CB -0.902 39.996 40.800 0.163 0.000 0.913 158 D HN 0.036 nan 8.370 nan 0.000 0.523 159 c N 2.647 121.285 118.600 0.064 0.000 2.634 159 c HA 0.068 4.638 4.570 -0.000 0.000 0.417 159 c C -0.255 173.784 174.090 -0.084 0.000 1.334 159 c CA -0.890 55.420 56.329 -0.033 0.000 1.829 159 c CB 0.878 43.370 42.510 -0.031 0.000 2.665 159 c HN 0.315 nan 8.230 nan 0.000 0.614 160 P HA -0.023 nan 4.420 nan 0.000 0.221 160 P C 0.423 177.683 177.300 -0.066 0.000 1.150 160 P CA 1.400 64.422 63.100 -0.131 0.000 0.800 160 P CB -0.078 31.503 31.700 -0.198 0.000 0.787 161 T N -5.566 108.950 114.554 -0.062 0.000 2.907 161 T HA 0.463 4.813 4.350 -0.000 0.000 0.292 161 T C -2.397 172.301 174.700 -0.003 0.000 1.043 161 T CA -2.285 59.803 62.100 -0.021 0.000 1.003 161 T CB 2.144 71.007 68.868 -0.009 0.000 1.084 161 T HN -0.327 nan 8.240 nan 0.000 0.483 162 P HA -0.046 nan 4.420 nan 0.000 0.217 162 P C 1.257 178.586 177.300 0.048 0.000 1.148 162 P CA 1.101 64.222 63.100 0.035 0.000 0.828 162 P CB 0.016 31.743 31.700 0.044 0.000 0.783 163 M N -2.351 117.280 119.600 0.052 0.000 2.495 163 M HA 0.288 4.768 4.480 -0.000 0.000 0.237 163 M C 1.281 177.592 176.300 0.019 0.000 1.131 163 M CA 0.511 55.845 55.300 0.058 0.000 1.032 163 M CB -0.623 32.029 32.600 0.087 0.000 1.513 163 M HN 0.066 nan 8.290 nan 0.000 0.488 164 G N 0.448 109.244 108.800 -0.006 0.000 2.731 164 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 164 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 164 G C 0.281 175.148 174.900 -0.055 0.000 1.349 164 G CA 0.259 45.339 45.100 -0.033 0.000 1.225 164 G HN 0.325 nan 8.290 nan 0.000 0.526 165 V N -1.397 118.493 119.914 -0.040 0.000 3.379 165 V HA 0.516 4.635 4.120 -0.000 0.000 0.249 165 V C 0.925 177.012 176.094 -0.012 0.000 1.184 165 V CA 1.526 63.799 62.300 -0.046 0.000 1.106 165 V CB -0.070 31.739 31.823 -0.024 0.000 0.826 165 V HN 0.494 nan 8.190 nan 0.000 0.465 166 K N 1.411 121.815 120.400 0.006 0.000 2.154 166 K HA 0.604 4.924 4.320 -0.000 0.000 0.264 166 K C 0.573 177.198 176.600 0.042 0.000 1.008 166 K CA 0.657 56.960 56.287 0.026 0.000 0.937 166 K CB 0.970 33.489 32.500 0.032 0.000 1.002 166 K HN 0.730 nan 8.250 nan 0.000 0.469 167 G N 1.347 110.180 108.800 0.055 0.000 2.728 167 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.294 167 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.294 167 G C -0.808 174.116 174.900 0.041 0.000 1.342 167 G CA -0.919 44.222 45.100 0.068 0.000 0.866 167 G HN 0.595 nan 8.290 nan 0.000 0.534 168 N N -0.269 118.451 118.700 0.034 0.000 2.381 168 N HA 0.325 5.065 4.740 -0.000 0.000 0.254 168 N C 1.703 177.217 175.510 0.006 0.000 1.264 168 N CA 0.198 53.256 53.050 0.013 0.000 0.942 168 N CB 0.724 39.211 38.487 -0.000 0.000 1.190 168 N HN 0.551 nan 8.380 nan 0.000 0.495 169 K N 0.306 120.707 120.400 0.000 0.000 2.152 169 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 169 K C 0.266 176.864 176.600 -0.003 0.000 1.048 169 K CA 1.298 57.584 56.287 -0.002 0.000 0.933 169 K CB -0.331 32.168 32.500 -0.001 0.000 0.721 169 K HN 0.588 nan 8.250 nan 0.000 0.447 170 E N -1.331 118.862 120.200 -0.011 0.000 2.288 170 E HA 0.442 4.791 4.350 -0.000 0.000 0.268 170 E C -0.822 175.753 176.600 -0.041 0.000 0.885 170 E CA -0.537 55.852 56.400 -0.020 0.000 0.767 170 E CB 1.941 31.627 29.700 -0.023 0.000 1.220 170 E HN 0.033 nan 8.360 nan 0.000 0.427 171 L N 3.076 124.270 121.223 -0.048 0.000 2.453 171 L HA 0.310 4.650 4.340 -0.000 0.000 0.261 171 L C -1.814 174.953 176.870 -0.172 0.000 1.179 171 L CA -1.746 53.027 54.840 -0.111 0.000 0.813 171 L CB 0.080 42.104 42.059 -0.059 0.000 1.110 171 L HN 0.346 nan 8.230 nan 0.000 0.466 172 P HA -0.061 nan 4.420 nan 0.000 0.267 172 P C -0.811 176.389 177.300 -0.166 0.000 1.200 172 P CA -0.264 62.669 63.100 -0.278 0.000 0.772 172 P CB 0.375 31.793 31.700 -0.471 0.000 0.855 173 D N 1.509 121.847 120.400 -0.103 0.000 2.533 173 D HA -0.072 4.568 4.640 -0.000 0.000 0.236 173 D C 1.260 177.535 176.300 -0.042 0.000 1.137 173 D CA 0.455 54.420 54.000 -0.058 0.000 0.867 173 D CB 0.715 41.490 40.800 -0.041 0.000 1.170 173 D HN 0.289 nan 8.370 nan 0.000 0.474 174 S N 3.996 119.687 115.700 -0.016 0.000 2.399 174 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 174 S C 1.760 176.374 174.600 0.024 0.000 1.022 174 S CA 0.939 59.149 58.200 0.016 0.000 0.983 174 S CB -0.096 63.119 63.200 0.025 0.000 0.803 174 S HN 0.631 nan 8.310 nan 0.000 0.480 175 K N 1.077 121.482 120.400 0.009 0.000 2.097 175 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 175 K C 2.200 178.804 176.600 0.007 0.000 1.049 175 K CA 1.567 57.859 56.287 0.009 0.000 0.933 175 K CB -0.143 32.357 32.500 0.000 0.000 0.717 175 K HN 0.384 nan 8.250 nan 0.000 0.442 176 E N -0.116 120.081 120.200 -0.005 0.000 2.072 176 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 176 E C 1.772 178.375 176.600 0.005 0.000 0.982 176 E CA 0.907 57.301 56.400 -0.010 0.000 0.803 176 E CB 0.150 29.830 29.700 -0.032 0.000 0.755 176 E HN 0.068 nan 8.360 nan 0.000 0.453 177 V N 0.874 120.801 119.914 0.022 0.000 2.343 177 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 177 V C 2.350 178.483 176.094 0.064 0.000 1.051 177 V CA 1.637 63.980 62.300 0.071 0.000 1.036 177 V CB -0.540 31.366 31.823 0.138 0.000 0.654 177 V HN 0.313 nan 8.190 nan 0.000 0.451 178 L N 0.287 121.546 121.223 0.060 0.000 2.017 178 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 178 L C 2.396 179.287 176.870 0.035 0.000 1.073 178 L CA 2.049 56.924 54.840 0.059 0.000 0.745 178 L CB -0.612 41.482 42.059 0.060 0.000 0.894 178 L HN 0.343 nan 8.230 nan 0.000 0.432 179 E N -0.582 119.631 120.200 0.021 0.000 2.106 179 E HA -0.206 4.143 4.350 -0.000 0.000 0.192 179 E C 2.151 178.754 176.600 0.006 0.000 0.984 179 E CA 1.218 57.624 56.400 0.010 0.000 0.806 179 E CB -0.018 29.684 29.700 0.003 0.000 0.750 179 E HN 0.510 nan 8.360 nan 0.000 0.458 180 K N 0.188 120.592 120.400 0.005 0.000 2.076 180 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 180 K C 1.968 178.565 176.600 -0.005 0.000 1.051 180 K CA 1.430 57.715 56.287 -0.003 0.000 0.949 180 K CB 0.422 32.918 32.500 -0.007 0.000 0.726 180 K HN 0.102 nan 8.250 nan 0.000 0.443 181 V N -2.948 116.968 119.914 0.002 0.000 3.451 181 V HA 0.206 4.326 4.120 -0.000 0.000 0.288 181 V C 1.124 177.213 176.094 -0.007 0.000 1.502 181 V CA -0.074 62.221 62.300 -0.008 0.000 1.026 181 V CB -0.006 31.809 31.823 -0.013 0.000 0.840 181 V HN 0.069 nan 8.190 nan 0.000 0.437 182 L N -0.251 120.978 121.223 0.009 0.000 2.526 182 L HA 0.425 4.765 4.340 -0.000 0.000 0.210 182 L C 0.970 177.857 176.870 0.028 0.000 1.048 182 L CA 0.129 54.980 54.840 0.018 0.000 0.852 182 L CB 0.222 42.309 42.059 0.045 0.000 1.128 182 L HN 0.177 nan 8.230 nan 0.000 0.482 183 L N 1.517 122.754 121.223 0.025 0.000 2.485 183 L HA 0.028 4.367 4.340 -0.000 0.000 0.275 183 L C 0.743 177.623 176.870 0.018 0.000 1.207 183 L CA 0.200 55.053 54.840 0.021 0.000 0.855 183 L CB 0.273 42.339 42.059 0.011 0.000 1.114 183 L HN 0.217 nan 8.230 nan 0.000 0.485 184 R N 1.956 122.471 120.500 0.025 0.000 2.438 184 R HA 0.158 4.498 4.340 -0.000 0.000 0.287 184 R C 0.186 176.502 176.300 0.027 0.000 1.077 184 R CA -0.210 55.910 56.100 0.033 0.000 1.034 184 R CB 0.867 31.207 30.300 0.065 0.000 0.993 184 R HN 0.584 nan 8.270 nan 0.000 0.459 185 R N 0.853 121.366 120.500 0.022 0.000 1.904 185 R HA 0.063 4.403 4.340 -0.000 0.000 0.178 185 R C -0.041 176.282 176.300 0.038 0.000 1.718 185 R CA 0.276 56.388 56.100 0.021 0.000 1.331 185 R CB -0.282 30.023 30.300 0.007 0.000 1.089 185 R HN 0.485 nan 8.270 nan 0.000 0.479 186 E N 0.577 120.796 120.200 0.032 0.000 2.301 186 E HA 0.138 4.488 4.350 -0.000 0.000 0.275 186 E C -0.973 175.676 176.600 0.082 0.000 1.030 186 E CA -0.690 55.744 56.400 0.056 0.000 0.852 186 E CB 0.481 30.197 29.700 0.027 0.000 1.060 186 E HN 0.179 nan 8.360 nan 0.000 0.401 187 F N 4.106 124.043 119.950 -0.023 0.000 2.578 187 F HA 0.279 4.805 4.527 -0.000 0.000 0.381 187 F C 0.011 175.792 175.800 -0.032 0.000 1.069 187 F CA -0.188 57.797 58.000 -0.026 0.000 1.231 187 F CB 0.152 39.134 39.000 -0.030 0.000 1.086 187 F HN 0.460 nan 8.300 nan 0.000 0.564 188 I N 9.380 129.504 120.570 -0.744 0.000 2.371 188 I HA 0.263 4.432 4.170 -0.000 0.000 0.282 188 I C -2.089 173.418 176.117 -1.016 0.000 1.031 188 I CA -2.126 58.775 61.300 -0.667 0.000 1.180 188 I CB 1.024 38.822 38.000 -0.337 0.000 1.336 188 I HN 0.460 nan 8.210 nan 0.000 0.467 189 P HA 0.023 nan 4.420 nan 0.000 0.272 189 P C -0.765 176.327 177.300 -0.346 0.000 1.223 189 P CA -0.234 62.497 63.100 -0.615 0.000 0.784 189 P CB 0.842 32.401 31.700 -0.234 0.000 0.923 190 D N 3.071 123.330 120.400 -0.235 0.000 2.371 190 D HA 0.056 4.696 4.640 -0.000 0.000 0.256 190 D C -1.210 174.975 176.300 -0.193 0.000 1.193 190 D CA -2.045 51.816 54.000 -0.233 0.000 0.881 190 D CB 0.376 41.034 40.800 -0.236 0.000 1.143 190 D HN 0.168 nan 8.370 nan 0.000 0.473 191 P HA -0.140 nan 4.420 nan 0.000 0.226 191 P C 0.834 178.040 177.300 -0.157 0.000 1.153 191 P CA 0.927 63.933 63.100 -0.157 0.000 0.777 191 P CB 0.307 31.916 31.700 -0.152 0.000 0.794 192 Q N -0.926 118.744 119.800 -0.215 0.000 2.378 192 Q HA 0.105 4.445 4.340 -0.000 0.000 0.205 192 Q C 1.269 177.194 176.000 -0.124 0.000 0.954 192 Q CA 0.864 56.526 55.803 -0.235 0.000 0.901 192 Q CB -0.293 28.196 28.738 -0.415 0.000 0.981 192 Q HN 0.310 nan 8.270 nan 0.000 0.483 193 G N 0.868 109.612 108.800 -0.092 0.000 2.141 193 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 193 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 193 G C -0.029 174.877 174.900 0.010 0.000 0.984 193 G CA 0.131 45.220 45.100 -0.019 0.000 0.660 193 G HN 0.257 nan 8.290 nan 0.000 0.525 194 S N 1.298 116.981 115.700 -0.028 0.000 2.563 194 S HA 0.339 4.809 4.470 -0.000 0.000 0.294 194 S C 0.917 175.523 174.600 0.011 0.000 1.279 194 S CA 0.618 58.758 58.200 -0.100 0.000 1.069 194 S CB 0.568 63.568 63.200 -0.333 0.000 0.828 194 S HN 0.964 nan 8.310 nan 0.000 0.497 195 N N 2.246 120.999 118.700 0.088 0.000 2.643 195 N HA 0.333 5.073 4.740 -0.000 0.000 0.305 195 N C 0.662 176.309 175.510 0.227 0.000 1.283 195 N CA -0.844 52.303 53.050 0.162 0.000 0.946 195 N CB -0.002 38.586 38.487 0.168 0.000 1.149 195 N HN 0.290 nan 8.380 nan 0.000 0.600 196 M N -0.950 118.761 119.600 0.186 0.000 2.419 196 M HA 0.097 4.576 4.480 -0.000 0.000 0.264 196 M C 1.457 177.897 176.300 0.234 0.000 1.082 196 M CA 0.844 56.171 55.300 0.046 0.000 1.119 196 M CB -1.053 31.475 32.600 -0.121 0.000 1.398 196 M HN 0.582 nan 8.290 nan 0.000 0.453 197 M N -0.349 119.513 119.600 0.436 0.000 2.159 197 M HA -0.162 4.317 4.480 -0.000 0.000 0.263 197 M C 1.901 178.687 176.300 0.809 0.000 1.063 197 M CA 1.586 57.264 55.300 0.630 0.000 1.110 197 M CB -0.665 32.239 32.600 0.506 0.000 1.374 197 M HN 0.211 nan 8.290 nan 0.000 0.411 198 F N 0.063 120.329 119.950 0.526 0.000 2.113 198 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 198 F C 2.088 178.071 175.800 0.305 0.000 1.103 198 F CA 1.587 59.770 58.000 0.305 0.000 1.248 198 F CB -0.727 38.320 39.000 0.079 0.000 0.999 198 F HN 0.126 nan 8.300 nan 0.000 0.475 199 A N 0.275 123.270 122.820 0.292 0.000 1.883 199 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 199 A C 2.042 179.609 177.584 -0.028 0.000 1.186 199 A CA 2.005 54.084 52.037 0.070 0.000 0.624 199 A CB -1.552 17.387 19.000 -0.102 0.000 0.822 199 A HN 0.449 nan 8.150 nan 0.000 0.444 200 F N -1.805 118.270 119.950 0.208 0.000 2.259 200 F HA 0.032 4.558 4.527 -0.000 0.000 0.298 200 F C 1.923 177.815 175.800 0.155 0.000 1.088 200 F CA 0.568 58.693 58.000 0.209 0.000 1.358 200 F CB -0.765 38.404 39.000 0.281 0.000 1.040 200 F HN 0.337 nan 8.300 nan 0.000 0.505 201 F N 0.761 120.798 119.950 0.144 0.000 2.102 201 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 201 F C 2.417 178.081 175.800 -0.226 0.000 1.105 201 F CA 1.405 59.191 58.000 -0.356 0.000 1.239 201 F CB -0.622 38.262 39.000 -0.194 0.000 0.991 201 F HN -0.077 nan 8.300 nan 0.000 0.474 202 A N -0.080 122.770 122.820 0.051 0.000 1.903 202 A HA -0.336 3.983 4.320 -0.000 0.000 0.219 202 A C 2.240 179.741 177.584 -0.137 0.000 1.191 202 A CA 2.193 54.254 52.037 0.039 0.000 0.638 202 A CB -1.215 17.900 19.000 0.192 0.000 0.823 202 A HN 0.620 nan 8.150 nan 0.000 0.451 203 Q N -1.675 118.052 119.800 -0.121 0.000 2.046 203 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 203 Q C 2.205 177.924 176.000 -0.470 0.000 0.975 203 Q CA 1.620 57.247 55.803 -0.294 0.000 0.836 203 Q CB -0.317 28.319 28.738 -0.169 0.000 0.896 203 Q HN 0.903 nan 8.270 nan 0.000 0.428 204 H N -0.480 118.317 119.070 -0.454 0.000 2.293 204 H HA -0.171 4.384 4.556 -0.000 0.000 0.300 204 H C 2.018 177.100 175.328 -0.411 0.000 1.082 204 H CA 1.827 57.572 56.048 -0.504 0.000 1.308 204 H CB -0.362 29.143 29.762 -0.429 0.000 1.375 204 H HN 0.331 nan 8.280 nan 0.000 0.495 205 F N 2.121 121.640 119.950 -0.717 0.000 2.095 205 F HA -0.212 4.314 4.527 -0.000 0.000 0.298 205 F C 2.741 177.884 175.800 -1.093 0.000 1.104 205 F CA 2.506 59.970 58.000 -0.893 0.000 1.232 205 F CB -0.902 37.508 39.000 -0.984 0.000 0.987 205 F HN 0.245 nan 8.300 nan 0.000 0.475 206 T N -3.115 110.647 114.554 -1.320 0.000 2.995 206 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 206 T C 1.653 175.418 174.700 -1.559 0.000 1.091 206 T CA 1.433 62.377 62.100 -1.927 0.000 1.128 206 T CB -1.082 67.040 68.868 -1.244 0.000 0.891 206 T HN 0.574 nan 8.240 nan 0.000 0.492 207 H N 1.327 119.801 119.070 -0.994 0.000 2.543 207 H HA 0.092 4.648 4.556 -0.000 0.000 0.269 207 H C 2.398 177.330 175.328 -0.660 0.000 1.005 207 H CA 0.630 56.339 56.048 -0.565 0.000 1.146 207 H CB 0.222 29.939 29.762 -0.075 0.000 1.353 207 H HN 0.732 nan 8.280 nan 0.000 0.595 208 Q N 0.649 119.837 119.800 -1.019 0.000 2.302 208 Q HA -0.064 4.275 4.340 -0.000 0.000 0.202 208 Q C 0.982 176.591 176.000 -0.652 0.000 0.936 208 Q CA 0.933 56.221 55.803 -0.858 0.000 0.886 208 Q CB -0.088 27.984 28.738 -1.110 0.000 0.986 208 Q HN 0.472 nan 8.270 nan 0.000 0.487 209 F N -2.408 117.123 119.950 -0.698 0.000 2.724 209 F HA 0.472 4.998 4.527 -0.000 0.000 0.306 209 F C -0.229 175.287 175.800 -0.474 0.000 1.100 209 F CA -1.191 56.438 58.000 -0.618 0.000 1.255 209 F CB 0.322 38.927 39.000 -0.658 0.000 1.072 209 F HN -0.210 nan 8.300 nan 0.000 0.589 210 F N 3.047 122.808 119.950 -0.316 0.000 2.293 210 F HA 0.522 5.048 4.527 -0.000 0.000 0.370 210 F C -0.016 175.601 175.800 -0.305 0.000 1.090 210 F CA -1.624 56.244 58.000 -0.219 0.000 1.133 210 F CB 0.851 39.621 39.000 -0.384 0.000 1.360 210 F HN -0.065 nan 8.300 nan 0.000 0.489 211 K N 1.489 121.901 120.400 0.019 0.000 3.029 211 K HA 0.210 4.530 4.320 -0.000 0.000 0.169 211 K C -0.298 176.258 176.600 -0.074 0.000 1.090 211 K CA -0.280 55.944 56.287 -0.106 0.000 0.883 211 K CB 0.921 33.313 32.500 -0.179 0.000 1.080 211 K HN 0.343 nan 8.250 nan 0.000 0.613 212 T N 1.188 115.730 114.554 -0.020 0.000 2.908 212 T HA -0.069 4.280 4.350 -0.000 0.000 0.301 212 T C 0.145 174.677 174.700 -0.281 0.000 1.019 212 T CA 0.311 62.343 62.100 -0.114 0.000 1.152 212 T CB 0.308 69.038 68.868 -0.230 0.000 0.966 212 T HN 0.231 nan 8.240 nan 0.000 0.540 213 D N 1.447 121.722 120.400 -0.208 0.000 2.483 213 D HA 0.124 4.763 4.640 -0.000 0.000 0.220 213 D C 0.902 177.110 176.300 -0.153 0.000 1.173 213 D CA -0.298 53.611 54.000 -0.151 0.000 0.964 213 D CB 0.085 40.812 40.800 -0.122 0.000 1.046 213 D HN 0.582 nan 8.370 nan 0.000 0.517 214 H N 1.752 120.816 119.070 -0.011 0.000 2.491 214 H HA -0.066 4.490 4.556 -0.000 0.000 0.290 214 H C 2.207 177.517 175.328 -0.029 0.000 1.050 214 H CA 1.938 57.984 56.048 -0.004 0.000 1.309 214 H CB 0.394 30.155 29.762 -0.002 0.000 1.392 214 H HN 0.398 nan 8.280 nan 0.000 0.554 215 K N 1.166 121.587 120.400 0.036 0.000 2.211 215 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 215 K C 2.087 178.628 176.600 -0.098 0.000 1.050 215 K CA 1.551 57.822 56.287 -0.027 0.000 0.945 215 K CB -0.225 32.245 32.500 -0.051 0.000 0.732 215 K HN 0.330 nan 8.250 nan 0.000 0.451 216 R N -1.925 118.473 120.500 -0.170 0.000 2.123 216 R HA 0.294 4.634 4.340 -0.000 0.000 0.209 216 R C 0.568 176.726 176.300 -0.237 0.000 1.078 216 R CA 0.936 56.806 56.100 -0.384 0.000 1.028 216 R CB 0.745 30.628 30.300 -0.694 0.000 0.939 216 R HN 0.597 nan 8.270 nan 0.000 0.463 217 G N -1.183 107.613 108.800 -0.007 0.000 2.333 217 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.330 217 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.330 217 G C -2.591 172.421 174.900 0.187 0.000 1.465 217 G CA -0.746 44.458 45.100 0.174 0.000 0.996 217 G HN -0.129 nan 8.290 nan 0.000 0.655 218 P HA 0.018 nan 4.420 nan 0.000 0.222 218 P C 1.654 179.030 177.300 0.126 0.000 1.147 218 P CA 1.636 64.771 63.100 0.058 0.000 0.790 218 P CB 0.074 31.786 31.700 0.019 0.000 0.780 219 G N -1.727 107.140 108.800 0.111 0.000 2.920 219 G HA2 0.067 4.027 3.960 -0.000 0.000 0.208 219 G HA3 0.067 4.027 3.960 -0.000 0.000 0.208 219 G C 0.020 174.820 174.900 -0.166 0.000 1.159 219 G CA -0.100 45.007 45.100 0.011 0.000 0.784 219 G HN 0.160 nan 8.290 nan 0.000 0.535 220 F N -0.395 119.550 119.950 -0.008 0.000 2.480 220 F HA 0.596 5.122 4.527 -0.001 0.000 0.329 220 F C 0.436 175.983 175.800 -0.422 0.000 1.091 220 F CA -0.741 57.104 58.000 -0.257 0.000 0.972 220 F CB 2.475 41.303 39.000 -0.288 0.000 1.150 220 F HN -0.175 nan 8.300 nan 0.000 0.467 221 T N 1.365 115.627 114.554 -0.487 0.000 2.924 221 T HA 0.443 4.793 4.350 -0.000 0.000 0.291 221 T C 0.639 175.139 174.700 -0.333 0.000 1.045 221 T CA -0.586 61.141 62.100 -0.622 0.000 1.015 221 T CB 1.273 69.449 68.868 -1.154 0.000 1.103 221 T HN 0.724 nan 8.240 nan 0.000 0.496 222 R N 1.329 121.664 120.500 -0.275 0.000 2.365 222 R HA 0.237 4.576 4.340 -0.000 0.000 0.223 222 R C 1.113 177.278 176.300 -0.226 0.000 0.899 222 R CA -0.105 55.871 56.100 -0.206 0.000 1.059 222 R CB 0.603 30.809 30.300 -0.156 0.000 1.086 222 R HN 0.621 nan 8.270 nan 0.000 0.522 223 G N 1.407 110.028 108.800 -0.298 0.000 2.977 223 G HA2 0.209 4.168 3.960 -0.000 0.000 0.306 223 G HA3 0.209 4.168 3.960 -0.000 0.000 0.306 223 G C 0.711 175.365 174.900 -0.410 0.000 0.885 223 G CA -0.389 44.530 45.100 -0.302 0.000 1.649 223 G HN 0.118 nan 8.290 nan 0.000 0.514 224 L N 1.843 122.910 121.223 -0.260 0.000 2.465 224 L HA 0.065 4.405 4.340 -0.000 0.000 0.224 224 L C 2.633 179.478 176.870 -0.042 0.000 1.145 224 L CA 0.673 55.413 54.840 -0.168 0.000 0.834 224 L CB 0.120 42.137 42.059 -0.070 0.000 0.944 224 L HN 0.527 nan 8.230 nan 0.000 0.451 225 G N -2.089 106.660 108.800 -0.085 0.000 2.534 225 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 225 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 225 G C 0.634 175.564 174.900 0.049 0.000 1.128 225 G CA -0.120 44.975 45.100 -0.009 0.000 0.784 225 G HN 0.563 nan 8.290 nan 0.000 0.542 226 H N -0.426 118.610 119.070 -0.058 0.000 2.655 226 H HA -0.171 4.385 4.556 -0.000 0.000 0.313 226 H C 1.168 176.448 175.328 -0.080 0.000 1.141 226 H CA 1.147 57.161 56.048 -0.058 0.000 1.138 226 H CB -1.361 28.362 29.762 -0.065 0.000 1.446 226 H HN 0.771 nan 8.280 nan 0.000 0.415 227 G N -1.707 107.087 108.800 -0.009 0.000 2.392 227 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 227 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 227 G C -0.842 174.083 174.900 0.042 0.000 1.226 227 G CA -0.246 44.815 45.100 -0.065 0.000 0.913 227 G HN 0.144 nan 8.290 nan 0.000 0.483 228 V N 2.486 122.434 119.914 0.056 0.000 2.223 228 V HA 0.271 4.391 4.120 -0.000 0.000 0.249 228 V C 0.405 176.547 176.094 0.081 0.000 1.233 228 V CA 0.817 63.178 62.300 0.102 0.000 1.131 228 V CB 0.215 32.152 31.823 0.191 0.000 1.298 228 V HN 0.754 nan 8.190 nan 0.000 0.498 229 D N 2.949 123.380 120.400 0.052 0.000 2.398 229 D HA 0.054 4.693 4.640 -0.000 0.000 0.210 229 D C 0.962 177.342 176.300 0.133 0.000 1.094 229 D CA -0.322 53.722 54.000 0.074 0.000 0.839 229 D CB 0.083 40.910 40.800 0.046 0.000 0.963 229 D HN 0.341 nan 8.370 nan 0.000 0.506 230 L N 0.667 121.969 121.223 0.132 0.000 3.865 230 L HA -0.339 4.001 4.340 -0.000 0.000 0.408 230 L C 0.813 177.838 176.870 0.257 0.000 1.209 230 L CA 0.671 55.660 54.840 0.249 0.000 0.940 230 L CB -2.512 39.691 42.059 0.239 0.000 1.971 230 L HN 0.290 nan 8.230 nan 0.000 0.899 231 N N -0.010 118.780 118.700 0.150 0.000 2.443 231 N HA -0.204 4.536 4.740 -0.000 0.000 0.184 231 N C 1.767 177.272 175.510 -0.008 0.000 1.037 231 N CA 1.644 54.735 53.050 0.067 0.000 0.896 231 N CB -0.231 38.244 38.487 -0.021 0.000 0.959 231 N HN 0.732 nan 8.380 nan 0.000 0.442 232 H N -0.540 118.368 119.070 -0.270 0.000 2.524 232 H HA 0.105 4.661 4.556 -0.000 0.000 0.282 232 H C 1.420 176.581 175.328 -0.278 0.000 1.016 232 H CA 0.786 56.597 56.048 -0.396 0.000 1.270 232 H CB -0.295 29.192 29.762 -0.458 0.000 1.394 232 H HN 0.420 nan 8.280 nan 0.000 0.568 233 I N -0.812 119.457 120.570 -0.501 0.000 2.947 233 I HA -0.062 4.107 4.170 -0.000 0.000 0.263 233 I C 1.419 177.268 176.117 -0.447 0.000 1.130 233 I CA 0.224 61.182 61.300 -0.569 0.000 1.448 233 I CB -0.028 37.443 38.000 -0.881 0.000 1.222 233 I HN -0.031 nan 8.210 nan 0.000 0.453 234 Y N 1.323 121.598 120.300 -0.043 0.000 2.510 234 Y HA 0.441 4.991 4.550 -0.000 0.000 0.273 234 Y C 1.194 177.106 175.900 0.020 0.000 1.119 234 Y CA 0.162 58.286 58.100 0.040 0.000 1.286 234 Y CB -0.134 38.404 38.460 0.131 0.000 1.061 234 Y HN 0.153 nan 8.280 nan 0.000 0.542 235 G N 0.678 109.526 108.800 0.079 0.000 2.712 235 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.686 235 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.686 235 G C 0.084 174.997 174.900 0.022 0.000 1.181 235 G CA -0.125 44.987 45.100 0.021 0.000 0.762 235 G HN 0.161 nan 8.290 nan 0.000 0.641 236 E N -0.363 119.818 120.200 -0.032 0.000 2.076 236 E HA 0.111 4.461 4.350 -0.000 0.000 0.190 236 E C 1.866 178.447 176.600 -0.032 0.000 0.979 236 E CA 2.176 58.550 56.400 -0.043 0.000 0.807 236 E CB 0.024 29.675 29.700 -0.082 0.000 0.761 236 E HN 1.140 nan 8.360 nan 0.000 0.454 237 T N -1.885 112.648 114.554 -0.036 0.000 2.944 237 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 237 T C 0.977 175.643 174.700 -0.057 0.000 1.010 237 T CA -0.626 61.446 62.100 -0.045 0.000 1.025 237 T CB 1.210 70.046 68.868 -0.052 0.000 1.079 237 T HN 0.047 nan 8.240 nan 0.000 0.516 238 L N 1.626 122.789 121.223 -0.101 0.000 2.093 238 L HA -0.012 4.327 4.340 -0.000 0.000 0.208 238 L C 2.569 179.267 176.870 -0.287 0.000 1.085 238 L CA 2.657 57.368 54.840 -0.215 0.000 0.755 238 L CB -0.975 40.928 42.059 -0.259 0.000 0.904 238 L HN 0.977 nan 8.230 nan 0.000 0.435 239 D N -2.002 118.302 120.400 -0.160 0.000 2.144 239 D HA -0.248 4.392 4.640 -0.000 0.000 0.199 239 D C 2.264 178.560 176.300 -0.006 0.000 0.984 239 D CA 1.071 55.024 54.000 -0.079 0.000 0.834 239 D CB -0.537 40.238 40.800 -0.042 0.000 0.955 239 D HN 0.552 nan 8.370 nan 0.000 0.465 240 R N 0.116 120.606 120.500 -0.016 0.000 2.062 240 R HA -0.135 4.204 4.340 -0.000 0.000 0.229 240 R C 2.847 179.169 176.300 0.037 0.000 1.128 240 R CA 1.426 57.532 56.100 0.010 0.000 0.960 240 R CB -0.471 29.823 30.300 -0.010 0.000 0.855 240 R HN 0.442 nan 8.270 nan 0.000 0.432 241 Q N -0.148 119.674 119.800 0.035 0.000 2.112 241 Q HA -0.244 4.095 4.340 -0.000 0.000 0.206 241 Q C 1.585 177.631 176.000 0.078 0.000 0.987 241 Q CA 1.927 57.770 55.803 0.067 0.000 0.858 241 Q CB -0.151 28.633 28.738 0.076 0.000 0.905 241 Q HN 0.657 nan 8.270 nan 0.000 0.420 242 H N -0.895 118.166 119.070 -0.015 0.000 2.495 242 H HA -0.020 4.536 4.556 -0.000 0.000 0.287 242 H C 1.714 177.121 175.328 0.131 0.000 1.033 242 H CA 0.690 56.795 56.048 0.096 0.000 1.307 242 H CB 0.398 30.292 29.762 0.219 0.000 1.401 242 H HN 0.196 nan 8.280 nan 0.000 0.555 243 K N 0.360 120.866 120.400 0.177 0.000 2.305 243 K HA 0.027 4.347 4.320 -0.000 0.000 0.199 243 K C 1.704 178.342 176.600 0.064 0.000 1.047 243 K CA 0.310 56.667 56.287 0.116 0.000 0.976 243 K CB 0.414 32.962 32.500 0.080 0.000 0.765 243 K HN 0.215 nan 8.250 nan 0.000 0.474 244 L N 0.317 121.558 121.223 0.031 0.000 2.375 244 L HA 0.049 4.389 4.340 -0.000 0.000 0.215 244 L C 0.774 177.613 176.870 -0.053 0.000 1.108 244 L CA 0.186 55.031 54.840 0.008 0.000 0.830 244 L CB 0.080 42.151 42.059 0.021 0.000 0.959 244 L HN 0.012 nan 8.230 nan 0.000 0.457 245 R N -0.060 120.323 120.500 -0.195 0.000 2.490 245 R HA 0.099 4.438 4.340 -0.000 0.000 0.278 245 R C 0.794 176.922 176.300 -0.287 0.000 1.069 245 R CA -0.430 55.420 56.100 -0.416 0.000 1.080 245 R CB 1.182 30.848 30.300 -1.057 0.000 1.030 245 R HN -0.079 nan 8.270 nan 0.000 0.491 246 L N 2.559 123.676 121.223 -0.177 0.000 2.270 246 L HA 0.108 4.447 4.340 -0.000 0.000 0.210 246 L C 0.128 177.043 176.870 0.075 0.000 1.104 246 L CA 1.161 55.995 54.840 -0.011 0.000 0.804 246 L CB -0.213 41.886 42.059 0.066 0.000 0.937 246 L HN 0.790 nan 8.230 nan 0.000 0.450 247 F N -0.538 119.397 119.950 -0.025 0.000 3.034 247 F HA -0.284 4.243 4.527 -0.000 0.000 0.286 247 F C 0.733 176.537 175.800 0.008 0.000 0.804 247 F CA 1.298 59.270 58.000 -0.047 0.000 1.161 247 F CB -1.686 37.256 39.000 -0.097 0.000 1.317 247 F HN 0.225 nan 8.300 nan 0.000 0.453 248 K N 0.469 120.959 120.400 0.149 0.000 2.482 248 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 248 K C 0.102 176.790 176.600 0.148 0.000 0.936 248 K CA -0.378 55.993 56.287 0.141 0.000 0.791 248 K CB 1.246 33.819 32.500 0.121 0.000 1.213 248 K HN -0.006 nan 8.250 nan 0.000 0.428 249 D N 2.953 123.444 120.400 0.151 0.000 2.983 249 D HA -0.199 4.441 4.640 -0.000 0.000 0.225 249 D C 0.625 177.043 176.300 0.197 0.000 1.174 249 D CA 1.852 55.951 54.000 0.164 0.000 0.831 249 D CB -1.263 39.626 40.800 0.148 0.000 1.104 249 D HN 1.098 nan 8.370 nan 0.000 0.421 250 G N -0.557 108.371 108.800 0.212 0.000 2.166 250 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.260 250 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.260 250 G C 0.421 175.595 174.900 0.457 0.000 0.986 250 G CA 1.069 46.353 45.100 0.306 0.000 0.683 250 G HN 0.514 nan 8.290 nan 0.000 0.527 251 K N -0.837 119.763 120.400 0.334 0.000 2.098 251 K HA 0.705 5.025 4.320 -0.000 0.000 0.244 251 K C 0.677 177.456 176.600 0.299 0.000 1.014 251 K CA -0.685 55.847 56.287 0.410 0.000 0.917 251 K CB 0.842 33.529 32.500 0.312 0.000 1.072 251 K HN 0.155 nan 8.250 nan 0.000 0.477 252 L N 1.495 122.890 121.223 0.287 0.000 2.360 252 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 252 L C 0.246 177.248 176.870 0.220 0.000 1.057 252 L CA -0.679 54.248 54.840 0.144 0.000 0.803 252 L CB 1.078 43.181 42.059 0.073 0.000 1.207 252 L HN 0.414 nan 8.230 nan 0.000 0.445 253 K N 1.410 121.882 120.400 0.120 0.000 2.380 253 K HA 0.235 4.555 4.320 -0.000 0.000 0.267 253 K C -1.178 175.547 176.600 0.208 0.000 0.990 253 K CA 0.431 56.772 56.287 0.089 0.000 0.946 253 K CB 0.481 32.998 32.500 0.030 0.000 0.937 253 K HN 0.468 nan 8.250 nan 0.000 0.491 254 Y N -2.293 118.046 120.300 0.066 0.000 2.689 254 Y HA 0.257 4.807 4.550 -0.000 0.000 0.333 254 Y C -1.444 174.509 175.900 0.089 0.000 1.208 254 Y CA -1.404 56.741 58.100 0.076 0.000 1.055 254 Y CB 0.919 39.411 38.460 0.053 0.000 1.304 254 Y HN 0.594 nan 8.280 nan 0.000 0.455 255 Q N 0.489 120.459 119.800 0.284 0.000 2.458 255 Q HA 0.850 5.190 4.340 -0.000 0.000 0.282 255 Q C -1.884 174.320 176.000 0.340 0.000 1.106 255 Q CA -1.407 54.521 55.803 0.208 0.000 0.814 255 Q CB 3.098 31.941 28.738 0.175 0.000 1.425 255 Q HN 0.581 nan 8.270 nan 0.000 0.437 256 V N 2.328 122.389 119.914 0.245 0.000 2.326 256 V HA 0.415 4.535 4.120 -0.000 0.000 0.281 256 V C -0.659 175.544 176.094 0.181 0.000 1.015 256 V CA -0.476 61.957 62.300 0.221 0.000 0.823 256 V CB 0.733 32.669 31.823 0.188 0.000 1.009 256 V HN 0.635 nan 8.190 nan 0.000 0.436 257 I N 3.692 124.404 120.570 0.238 0.000 2.355 257 I HA 0.604 4.774 4.170 -0.000 0.000 0.288 257 I C 1.188 177.404 176.117 0.164 0.000 0.999 257 I CA -0.419 60.990 61.300 0.181 0.000 1.163 257 I CB 1.524 39.623 38.000 0.164 0.000 1.316 257 I HN 0.783 nan 8.210 nan 0.000 0.454 258 G N 4.336 113.194 108.800 0.097 0.000 2.249 258 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.273 258 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.273 258 G C 0.996 175.934 174.900 0.064 0.000 1.036 258 G CA 0.561 45.704 45.100 0.072 0.000 0.824 258 G HN 1.538 nan 8.290 nan 0.000 0.504 259 G N -1.821 107.017 108.800 0.064 0.000 2.176 259 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 259 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 259 G C 0.078 174.986 174.900 0.013 0.000 0.979 259 G CA 0.817 45.940 45.100 0.037 0.000 0.641 259 G HN 0.986 nan 8.290 nan 0.000 0.530 260 E N 0.247 120.466 120.200 0.032 0.000 2.191 260 E HA 0.505 4.854 4.350 -0.000 0.000 0.278 260 E C 0.049 176.562 176.600 -0.145 0.000 0.972 260 E CA -0.721 55.623 56.400 -0.093 0.000 0.804 260 E CB 2.432 32.074 29.700 -0.096 0.000 1.110 260 E HN 0.105 nan 8.360 nan 0.000 0.394 261 V N 4.223 123.961 119.914 -0.293 0.000 2.455 261 V HA 0.115 4.235 4.120 -0.000 0.000 0.273 261 V C -0.650 175.177 176.094 -0.446 0.000 1.045 261 V CA 0.187 62.345 62.300 -0.237 0.000 0.976 261 V CB -0.520 31.115 31.823 -0.315 0.000 0.993 261 V HN 0.507 nan 8.190 nan 0.000 0.475 262 Y N 4.909 125.206 120.300 -0.005 0.000 2.602 262 Y HA 0.518 5.068 4.550 -0.000 0.000 0.342 262 Y C -2.204 173.684 175.900 -0.020 0.000 1.029 262 Y CA -2.716 55.307 58.100 -0.128 0.000 1.080 262 Y CB 1.930 40.275 38.460 -0.191 0.000 1.284 262 Y HN 0.421 nan 8.280 nan 0.000 0.485 263 P HA 0.009 nan 4.420 nan 0.000 0.269 263 P C -2.503 174.993 177.300 0.327 0.000 1.217 263 P CA -0.614 62.581 63.100 0.158 0.000 0.783 263 P CB -0.047 31.710 31.700 0.094 0.000 0.898 264 P HA 0.061 nan 4.420 nan 0.000 0.275 264 P C -0.303 177.125 177.300 0.212 0.000 1.266 264 P CA -0.002 63.218 63.100 0.200 0.000 0.793 264 P CB 0.122 31.890 31.700 0.114 0.000 1.074 265 T N -3.329 111.287 114.554 0.104 0.000 2.881 265 T HA 0.211 4.561 4.350 -0.000 0.000 0.278 265 T C 1.431 176.151 174.700 0.033 0.000 0.982 265 T CA -0.640 61.475 62.100 0.025 0.000 0.989 265 T CB -0.007 68.824 68.868 -0.061 0.000 1.058 265 T HN 0.062 nan 8.240 nan 0.000 0.529 266 V N 0.708 120.625 119.914 0.005 0.000 2.427 266 V HA -0.118 4.001 4.120 -0.000 0.000 0.248 266 V C 3.060 179.154 176.094 -0.001 0.000 1.051 266 V CA 2.062 64.375 62.300 0.023 0.000 1.048 266 V CB -0.928 30.911 31.823 0.027 0.000 0.666 266 V HN 0.967 nan 8.190 nan 0.000 0.456 267 K N 0.230 120.612 120.400 -0.030 0.000 2.097 267 K HA -0.193 4.126 4.320 -0.000 0.000 0.206 267 K C 2.013 178.605 176.600 -0.014 0.000 1.049 267 K CA 2.083 58.353 56.287 -0.029 0.000 0.933 267 K CB -0.971 31.500 32.500 -0.048 0.000 0.717 267 K HN 0.855 nan 8.250 nan 0.000 0.442 268 D N -1.018 119.377 120.400 -0.007 0.000 2.137 268 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 268 D C 1.972 178.281 176.300 0.014 0.000 0.970 268 D CA 1.771 55.771 54.000 0.001 0.000 0.837 268 D CB -0.813 39.989 40.800 0.003 0.000 0.981 268 D HN 0.699 nan 8.370 nan 0.000 0.475 269 T N -4.256 110.314 114.554 0.026 0.000 3.044 269 T HA 0.075 4.424 4.350 -0.000 0.000 0.255 269 T C 1.143 175.863 174.700 0.034 0.000 1.073 269 T CA 1.053 63.175 62.100 0.037 0.000 1.125 269 T CB 0.431 69.329 68.868 0.050 0.000 0.908 269 T HN 0.315 nan 8.240 nan 0.000 0.480 270 Q N -0.135 119.680 119.800 0.025 0.000 2.489 270 Q HA -0.116 4.223 4.340 -0.000 0.000 0.259 270 Q C -0.556 175.459 176.000 0.024 0.000 0.934 270 Q CA 0.297 56.112 55.803 0.020 0.000 1.131 270 Q CB -2.556 26.192 28.738 0.016 0.000 1.472 270 Q HN 0.546 nan 8.270 nan 0.000 0.560 271 V N 1.262 121.196 119.914 0.034 0.000 2.461 271 V HA 0.112 4.232 4.120 -0.000 0.000 0.275 271 V C 0.611 176.726 176.094 0.035 0.000 1.047 271 V CA 0.125 62.445 62.300 0.033 0.000 0.955 271 V CB 1.667 33.514 31.823 0.041 0.000 0.988 271 V HN 0.202 nan 8.190 nan 0.000 0.471 272 E N 6.227 126.437 120.200 0.016 0.000 2.344 272 E HA 0.329 4.679 4.350 -0.000 0.000 0.270 272 E C -0.329 176.276 176.600 0.007 0.000 1.021 272 E CA -0.284 56.123 56.400 0.012 0.000 0.887 272 E CB 0.877 30.573 29.700 -0.007 0.000 0.997 272 E HN 0.544 nan 8.360 nan 0.000 0.429 273 M N 2.828 122.444 119.600 0.027 0.000 2.550 273 M HA 0.447 4.927 4.480 -0.000 0.000 0.292 273 M C -0.615 175.633 176.300 -0.086 0.000 1.221 273 M CA -0.974 54.309 55.300 -0.029 0.000 0.873 273 M CB 1.951 34.589 32.600 0.062 0.000 1.727 273 M HN 0.458 nan 8.290 nan 0.000 0.459 274 I N 3.051 123.502 120.570 -0.199 0.000 2.294 274 I HA 0.219 4.389 4.170 -0.000 0.000 0.295 274 I C -1.085 174.814 176.117 -0.364 0.000 1.098 274 I CA 0.040 61.238 61.300 -0.171 0.000 1.277 274 I CB -1.221 36.745 38.000 -0.058 0.000 1.434 274 I HN 0.529 nan 8.210 nan 0.000 0.498 275 Y N 5.989 126.196 120.300 -0.154 0.000 2.406 275 Y HA 0.408 4.958 4.550 -0.000 0.000 0.340 275 Y C -1.980 173.661 175.900 -0.432 0.000 0.975 275 Y CA -2.218 55.665 58.100 -0.361 0.000 1.056 275 Y CB 1.881 40.206 38.460 -0.225 0.000 1.210 275 Y HN 0.445 nan 8.280 nan 0.000 0.448 276 P HA 0.048 nan 4.420 nan 0.000 0.268 276 P C -2.024 175.090 177.300 -0.310 0.000 1.208 276 P CA -0.881 61.989 63.100 -0.383 0.000 0.777 276 P CB 0.367 31.768 31.700 -0.499 0.000 0.875 277 P HA -0.243 nan 4.420 nan 0.000 0.217 277 P C 1.353 178.586 177.300 -0.112 0.000 1.158 277 P CA 1.621 64.658 63.100 -0.106 0.000 0.887 277 P CB -0.553 31.126 31.700 -0.034 0.000 0.792 278 H N -1.192 117.840 119.070 -0.063 0.000 2.545 278 H HA 0.017 4.573 4.556 -0.000 0.000 0.282 278 H C 0.449 175.729 175.328 -0.079 0.000 1.020 278 H CA 0.158 56.172 56.048 -0.057 0.000 1.243 278 H CB -0.885 28.856 29.762 -0.034 0.000 1.377 278 H HN 0.155 nan 8.280 nan 0.000 0.581 279 I N 4.977 125.331 120.570 -0.360 0.000 2.379 279 I HA 0.139 4.309 4.170 -0.000 0.000 0.290 279 I C -1.779 174.180 176.117 -0.263 0.000 1.063 279 I CA -1.964 59.155 61.300 -0.302 0.000 1.351 279 I CB 1.087 38.847 38.000 -0.400 0.000 1.410 279 I HN 0.107 nan 8.210 nan 0.000 0.505 280 P HA 0.203 nan 4.420 nan 0.000 0.276 280 P C 0.729 177.869 177.300 -0.265 0.000 1.252 280 P CA -0.236 62.748 63.100 -0.193 0.000 0.802 280 P CB 0.681 32.295 31.700 -0.143 0.000 1.035 281 E N 1.779 121.853 120.200 -0.211 0.000 2.097 281 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 281 E C 1.470 177.904 176.600 -0.277 0.000 1.000 281 E CA 2.153 58.422 56.400 -0.217 0.000 0.804 281 E CB -1.453 nan 29.700 nan 0.000 0.740 281 E HN 0.733 nan 8.360 nan 0.000 0.454 282 N N 0.501 119.041 118.700 -0.267 0.000 2.166 282 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 282 N C 1.708 176.890 175.510 -0.548 0.000 1.019 282 N CA 1.662 54.525 53.050 -0.311 0.000 0.856 282 N CB -0.355 38.000 38.487 -0.221 0.000 0.993 282 N HN 0.479 nan 8.380 nan 0.000 0.426 283 L N 0.244 121.129 121.223 -0.562 0.000 2.611 283 L HA 0.136 4.476 4.340 -0.000 0.000 0.229 283 L C 1.557 177.886 176.870 -0.902 0.000 1.137 283 L CA 0.093 54.485 54.840 -0.747 0.000 0.901 283 L CB -0.485 41.320 42.059 -0.423 0.000 1.098 283 L HN 0.269 nan 8.230 nan 0.000 0.456 284 Q N 0.827 120.114 119.800 -0.853 0.000 2.963 284 Q HA 0.296 4.636 4.340 -0.000 0.000 0.262 284 Q C -0.420 175.359 176.000 -0.368 0.000 1.318 284 Q CA -0.471 54.787 55.803 -0.909 0.000 1.089 284 Q CB -0.871 27.428 28.738 -0.731 0.000 1.424 284 Q HN 0.214 nan 8.270 nan 0.000 0.560 285 F N 0.928 120.886 119.950 0.014 0.000 2.529 285 F HA 0.465 4.991 4.527 -0.000 0.000 0.365 285 F C 1.042 176.963 175.800 0.203 0.000 1.102 285 F CA -0.535 57.532 58.000 0.112 0.000 1.271 285 F CB 1.263 40.332 39.000 0.115 0.000 1.120 285 F HN 0.519 nan 8.300 nan 0.000 0.579 286 A N 3.995 127.010 122.820 0.325 0.000 2.249 286 A HA 0.716 5.036 4.320 -0.000 0.000 0.314 286 A C -0.479 177.205 177.584 0.167 0.000 1.290 286 A CA -0.487 51.678 52.037 0.213 0.000 0.893 286 A CB 0.268 19.353 19.000 0.140 0.000 1.165 286 A HN 0.747 nan 8.150 nan 0.000 0.530 287 V N 0.233 120.220 119.914 0.122 0.000 3.164 287 V HA 0.875 4.994 4.120 -0.000 0.000 0.313 287 V C 1.206 177.279 176.094 -0.034 0.000 1.188 287 V CA -0.036 62.301 62.300 0.061 0.000 1.058 287 V CB 0.975 32.870 31.823 0.120 0.000 1.110 287 V HN 0.933 nan 8.190 nan 0.000 0.453 288 G N -0.842 107.899 108.800 -0.098 0.000 2.442 288 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 288 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 288 G C 0.733 175.492 174.900 -0.236 0.000 1.141 288 G CA 0.746 45.758 45.100 -0.147 0.000 0.763 288 G HN 0.647 nan 8.290 nan 0.000 0.554 289 Q N 0.326 119.867 119.800 -0.432 0.000 2.307 289 Q HA 0.141 4.481 4.340 -0.000 0.000 0.262 289 Q C 0.989 176.710 176.000 -0.465 0.000 0.961 289 Q CA -0.394 55.016 55.803 -0.655 0.000 0.882 289 Q CB 1.522 29.324 28.738 -1.560 0.000 1.264 289 Q HN 0.549 nan 8.270 nan 0.000 0.446 290 E N 2.005 122.034 120.200 -0.284 0.000 2.472 290 E HA -0.084 4.266 4.350 -0.000 0.000 0.200 290 E C 1.236 177.756 176.600 -0.134 0.000 1.046 290 E CA 0.859 57.160 56.400 -0.165 0.000 0.871 290 E CB -0.020 29.611 29.700 -0.115 0.000 0.806 290 E HN 0.372 nan 8.360 nan 0.000 0.533 291 V N -3.465 116.386 119.914 -0.105 0.000 3.578 291 V HA 0.160 4.280 4.120 -0.000 0.000 0.290 291 V C 1.324 177.539 176.094 0.203 0.000 1.376 291 V CA -0.257 62.068 62.300 0.042 0.000 1.083 291 V CB -0.788 31.100 31.823 0.108 0.000 0.911 291 V HN -0.142 nan 8.190 nan 0.000 0.433 292 F N 2.893 122.817 119.950 -0.044 0.000 2.699 292 F HA 0.332 4.859 4.527 -0.000 0.000 0.298 292 F C 2.218 177.999 175.800 -0.032 0.000 1.154 292 F CA 0.475 58.466 58.000 -0.015 0.000 1.457 292 F CB -1.054 37.974 39.000 0.046 0.000 1.106 292 F HN 0.381 nan 8.300 nan 0.000 0.585 293 G N -0.477 108.376 108.800 0.088 0.000 2.572 293 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.216 293 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.216 293 G C 1.757 176.629 174.900 -0.046 0.000 1.133 293 G CA 0.251 45.401 45.100 0.083 0.000 0.791 293 G HN 0.336 nan 8.290 nan 0.000 0.538 294 L N 0.763 121.789 121.223 -0.328 0.000 2.013 294 L HA 0.050 4.390 4.340 -0.000 0.000 0.212 294 L C 0.601 177.108 176.870 -0.605 0.000 1.073 294 L CA 1.464 55.715 54.840 -0.982 0.000 0.753 294 L CB -0.068 41.664 42.059 -0.546 0.000 0.890 294 L HN -0.002 nan 8.230 nan 0.000 0.432 295 V N -0.643 119.080 119.914 -0.318 0.000 2.531 295 V HA 0.321 4.440 4.120 -0.000 0.000 0.301 295 V C -1.659 174.214 176.094 -0.367 0.000 1.034 295 V CA -1.108 61.000 62.300 -0.320 0.000 0.865 295 V CB 1.236 32.987 31.823 -0.120 0.000 0.995 295 V HN -0.042 nan 8.190 nan 0.000 0.424 296 P HA -0.095 nan 4.420 nan 0.000 0.218 296 P C 1.656 178.783 177.300 -0.288 0.000 1.148 296 P CA 1.542 64.385 63.100 -0.430 0.000 0.822 296 P CB 0.262 31.607 31.700 -0.592 0.000 0.784 297 G N -0.258 108.239 108.800 -0.506 0.000 2.442 297 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 297 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 297 G C 1.438 176.003 174.900 -0.559 0.000 1.141 297 G CA 0.600 45.044 45.100 -1.092 0.000 0.763 297 G HN 0.248 nan 8.290 nan 0.000 0.554 298 L N -0.314 120.689 121.223 -0.367 0.000 2.095 298 L HA 0.055 4.394 4.340 -0.000 0.000 0.204 298 L C 2.990 179.751 176.870 -0.182 0.000 1.080 298 L CA 0.420 55.103 54.840 -0.261 0.000 0.759 298 L CB -0.294 41.508 42.059 -0.428 0.000 0.914 298 L HN 0.100 nan 8.230 nan 0.000 0.439 299 M N -0.644 118.866 119.600 -0.150 0.000 2.213 299 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 299 M C 2.270 178.462 176.300 -0.179 0.000 1.062 299 M CA 1.662 56.902 55.300 -0.100 0.000 1.105 299 M CB -0.725 31.820 32.600 -0.092 0.000 1.385 299 M HN 0.362 nan 8.290 nan 0.000 0.417 300 M N -0.957 118.497 119.600 -0.243 0.000 2.065 300 M HA -0.291 4.189 4.480 -0.000 0.000 0.259 300 M C 2.012 178.139 176.300 -0.288 0.000 1.069 300 M CA 2.032 57.157 55.300 -0.292 0.000 1.110 300 M CB -0.416 32.048 32.600 -0.227 0.000 1.328 300 M HN 0.148 nan 8.290 nan 0.000 0.405 301 Y N -0.093 120.069 120.300 -0.230 0.000 2.293 301 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 301 Y C 2.549 178.278 175.900 -0.285 0.000 1.137 301 Y CA 1.100 58.992 58.100 -0.347 0.000 1.202 301 Y CB -0.424 37.652 38.460 -0.639 0.000 0.990 301 Y HN 0.430 nan 8.280 nan 0.000 0.537 302 A N -0.508 122.281 122.820 -0.052 0.000 1.933 302 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 302 A C 2.213 179.836 177.584 0.065 0.000 1.175 302 A CA 2.199 54.333 52.037 0.162 0.000 0.628 302 A CB -1.072 18.079 19.000 0.252 0.000 0.814 302 A HN 0.376 nan 8.150 nan 0.000 0.444 303 T N 0.174 114.693 114.554 -0.057 0.000 2.812 303 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 303 T C 1.805 176.424 174.700 -0.135 0.000 1.042 303 T CA 1.371 63.393 62.100 -0.129 0.000 1.140 303 T CB -0.362 68.374 68.868 -0.220 0.000 0.870 303 T HN 0.405 nan 8.240 nan 0.000 0.445 304 I N -0.531 119.945 120.570 -0.157 0.000 2.142 304 I HA -0.185 3.985 4.170 -0.000 0.000 0.240 304 I C 2.226 178.255 176.117 -0.146 0.000 1.078 304 I CA 1.525 62.700 61.300 -0.208 0.000 1.343 304 I CB -0.296 37.528 38.000 -0.293 0.000 1.046 304 I HN 0.327 nan 8.210 nan 0.000 0.405 305 W N 0.404 121.699 121.300 -0.009 0.000 2.374 305 W HA -0.150 4.510 4.660 -0.000 0.000 0.288 305 W C 2.445 178.961 176.519 -0.006 0.000 1.218 305 W CA 0.525 57.880 57.345 0.016 0.000 1.245 305 W CB -0.233 29.234 29.460 0.012 0.000 1.126 305 W HN 0.132 nan 8.180 nan 0.000 0.545 306 L N 0.608 121.932 121.223 0.168 0.000 2.056 306 L HA -0.152 4.187 4.340 -0.000 0.000 0.207 306 L C 2.541 179.460 176.870 0.082 0.000 1.078 306 L CA 1.688 56.584 54.840 0.093 0.000 0.749 306 L CB -0.361 41.719 42.059 0.035 0.000 0.901 306 L HN -0.109 nan 8.230 nan 0.000 0.433 307 R N -0.501 119.995 120.500 -0.007 0.000 2.081 307 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 307 R C 2.208 178.512 176.300 0.006 0.000 1.131 307 R CA 1.561 57.623 56.100 -0.063 0.000 0.960 307 R CB -0.326 29.888 30.300 -0.143 0.000 0.856 307 R HN 0.351 nan 8.270 nan 0.000 0.436 308 E N 0.254 120.483 120.200 0.048 0.000 2.051 308 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 308 E C 1.746 178.454 176.600 0.180 0.000 0.991 308 E CA 1.883 58.337 56.400 0.090 0.000 0.799 308 E CB -0.251 29.506 29.700 0.094 0.000 0.748 308 E HN 0.449 nan 8.360 nan 0.000 0.449 309 H N -0.149 119.031 119.070 0.182 0.000 2.289 309 H HA -0.104 4.452 4.556 -0.000 0.000 0.296 309 H C 1.641 177.063 175.328 0.157 0.000 1.091 309 H CA 2.415 58.589 56.048 0.210 0.000 1.274 309 H CB -0.221 29.690 29.762 0.249 0.000 1.364 309 H HN 0.152 nan 8.280 nan 0.000 0.490 310 N N 0.070 118.908 118.700 0.231 0.000 2.309 310 N HA -0.114 4.626 4.740 -0.000 0.000 0.182 310 N C 1.935 177.463 175.510 0.030 0.000 1.018 310 N CA 0.864 53.995 53.050 0.136 0.000 0.876 310 N CB -0.312 38.229 38.487 0.089 0.000 0.972 310 N HN 0.418 nan 8.380 nan 0.000 0.434 311 R N 0.505 121.014 120.500 0.016 0.000 2.073 311 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 311 R C 1.642 177.948 176.300 0.009 0.000 1.120 311 R CA 0.804 56.905 56.100 0.001 0.000 0.967 311 R CB -0.131 30.165 30.300 -0.007 0.000 0.862 311 R HN -0.013 nan 8.270 nan 0.000 0.436 312 V N 0.414 120.333 119.914 0.008 0.000 2.343 312 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 312 V C 2.529 178.627 176.094 0.007 0.000 1.051 312 V CA 1.732 64.041 62.300 0.014 0.000 1.036 312 V CB -0.477 31.361 31.823 0.025 0.000 0.654 312 V HN 0.523 nan 8.190 nan 0.000 0.451 313 C N 0.072 119.345 119.300 -0.046 0.000 2.401 313 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 313 C C 2.523 177.550 174.990 0.063 0.000 1.233 313 C CA 1.163 60.191 59.018 0.017 0.000 1.753 313 C CB -1.127 26.628 27.740 0.025 0.000 2.029 313 C HN 0.608 nan 8.230 nan 0.000 0.478 314 D N 0.747 121.173 120.400 0.043 0.000 2.117 314 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 314 D C 2.062 178.381 176.300 0.032 0.000 0.987 314 D CA 1.058 55.082 54.000 0.040 0.000 0.829 314 D CB -0.338 40.476 40.800 0.023 0.000 0.961 314 D HN 0.287 nan 8.370 nan 0.000 0.460 315 I N 0.853 121.441 120.570 0.029 0.000 2.179 315 I HA -0.205 3.964 4.170 -0.000 0.000 0.242 315 I C 2.578 178.710 176.117 0.025 0.000 1.088 315 I CA 0.823 62.136 61.300 0.022 0.000 1.357 315 I CB -1.165 36.854 38.000 0.031 0.000 1.051 315 I HN 0.069 nan 8.210 nan 0.000 0.409 316 L N 0.286 121.551 121.223 0.069 0.000 2.093 316 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 316 L C 2.595 179.506 176.870 0.067 0.000 1.085 316 L CA 1.228 56.132 54.840 0.108 0.000 0.755 316 L CB -0.581 41.614 42.059 0.227 0.000 0.904 316 L HN 0.245 nan 8.230 nan 0.000 0.435 317 K N 0.140 120.589 120.400 0.083 0.000 2.103 317 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 317 K C 2.124 178.722 176.600 -0.003 0.000 1.048 317 K CA 1.462 57.792 56.287 0.070 0.000 0.930 317 K CB 0.034 32.585 32.500 0.085 0.000 0.716 317 K HN 0.354 nan 8.250 nan 0.000 0.444 318 Q N -0.202 119.582 119.800 -0.026 0.000 2.119 318 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 318 Q C 1.857 177.772 176.000 -0.141 0.000 0.972 318 Q CA 1.064 56.830 55.803 -0.061 0.000 0.847 318 Q CB 0.165 28.877 28.738 -0.044 0.000 0.903 318 Q HN 0.298 nan 8.270 nan 0.000 0.433 319 E N -0.031 120.043 120.200 -0.211 0.000 2.107 319 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 319 E C 0.371 176.521 176.600 -0.750 0.000 0.982 319 E CA 0.981 57.110 56.400 -0.450 0.000 0.809 319 E CB 0.198 29.610 29.700 -0.480 0.000 0.756 319 E HN 0.420 nan 8.360 nan 0.000 0.459 320 H N 0.297 119.131 119.070 -0.393 0.000 2.423 320 H HA 0.170 4.725 4.556 -0.000 0.000 0.237 320 H C -1.781 173.406 175.328 -0.236 0.000 1.391 320 H CA -1.561 54.157 56.048 -0.550 0.000 1.453 320 H CB 1.240 30.130 29.762 -1.454 0.000 1.484 320 H HN 0.018 nan 8.280 nan 0.000 0.505 321 P HA -0.154 nan 4.420 nan 0.000 0.225 321 P C 1.348 178.696 177.300 0.080 0.000 1.148 321 P CA 0.984 64.096 63.100 0.019 0.000 0.779 321 P CB 0.494 32.190 31.700 -0.006 0.000 0.780 322 E N -1.424 118.834 120.200 0.096 0.000 2.299 322 E HA -0.104 4.245 4.350 -0.000 0.000 0.193 322 E C 0.312 177.094 176.600 0.303 0.000 0.998 322 E CA 0.144 56.643 56.400 0.166 0.000 0.851 322 E CB -0.788 29.004 29.700 0.153 0.000 0.795 322 E HN 0.134 nan 8.360 nan 0.000 0.492 323 W N 2.220 123.571 121.300 0.086 0.000 2.181 323 W HA 0.469 5.129 4.660 -0.000 0.000 0.335 323 W C 1.192 177.747 176.519 0.060 0.000 1.310 323 W CA 0.001 57.380 57.345 0.056 0.000 1.226 323 W CB 0.466 29.953 29.460 0.045 0.000 1.155 323 W HN -0.003 nan 8.180 nan 0.000 0.565 324 G N 1.401 110.326 108.800 0.210 0.000 2.557 324 G HA2 0.055 4.015 3.960 -0.000 0.000 0.292 324 G HA3 0.055 4.015 3.960 -0.000 0.000 0.292 324 G C 0.465 175.451 174.900 0.143 0.000 1.237 324 G CA -0.065 45.120 45.100 0.141 0.000 0.978 324 G HN 0.480 nan 8.290 nan 0.000 0.498 325 D N -0.925 119.556 120.400 0.135 0.000 2.104 325 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 325 D C 2.056 178.445 176.300 0.150 0.000 0.994 325 D CA 1.829 55.922 54.000 0.154 0.000 0.830 325 D CB 0.017 40.914 40.800 0.162 0.000 0.959 325 D HN 0.430 nan 8.370 nan 0.000 0.452 326 E N 0.230 120.497 120.200 0.111 0.000 2.058 326 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 326 E C 2.114 178.758 176.600 0.074 0.000 0.997 326 E CA 1.570 58.035 56.400 0.108 0.000 0.801 326 E CB -0.403 29.339 29.700 0.071 0.000 0.746 326 E HN 0.471 nan 8.360 nan 0.000 0.450 327 Q N -0.331 119.424 119.800 -0.074 0.000 2.084 327 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 327 Q C 2.327 178.231 176.000 -0.161 0.000 0.978 327 Q CA 1.535 57.162 55.803 -0.294 0.000 0.844 327 Q CB -0.168 28.118 28.738 -0.753 0.000 0.898 327 Q HN 0.367 nan 8.270 nan 0.000 0.426 328 L N -0.120 121.142 121.223 0.065 0.000 1.990 328 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 328 L C 2.380 179.356 176.870 0.177 0.000 1.072 328 L CA 1.726 56.702 54.840 0.227 0.000 0.755 328 L CB -0.629 41.593 42.059 0.272 0.000 0.889 328 L HN 0.345 nan 8.230 nan 0.000 0.432 329 F N 0.372 120.370 119.950 0.079 0.000 2.075 329 F HA -0.262 4.264 4.527 -0.000 0.000 0.297 329 F C 2.755 178.595 175.800 0.068 0.000 1.113 329 F CA 1.595 59.672 58.000 0.128 0.000 1.218 329 F CB -0.272 38.773 39.000 0.074 0.000 0.984 329 F HN 0.047 nan 8.300 nan 0.000 0.472 330 Q N -0.198 119.593 119.800 -0.015 0.000 2.061 330 Q HA -0.207 4.132 4.340 -0.000 0.000 0.204 330 Q C 2.502 178.398 176.000 -0.173 0.000 0.984 330 Q CA 2.307 58.017 55.803 -0.155 0.000 0.846 330 Q CB -1.399 27.326 28.738 -0.022 0.000 0.902 330 Q HN 0.556 nan 8.270 nan 0.000 0.421 331 T N -0.631 113.870 114.554 -0.089 0.000 2.951 331 T HA -0.029 4.320 4.350 -0.000 0.000 0.268 331 T C 2.028 176.781 174.700 0.089 0.000 1.073 331 T CA 1.362 63.476 62.100 0.023 0.000 1.134 331 T CB 0.045 68.956 68.868 0.071 0.000 0.884 331 T HN 0.141 nan 8.240 nan 0.000 0.479 332 S N 0.883 116.582 115.700 -0.001 0.000 2.368 332 S HA -0.040 4.429 4.470 -0.000 0.000 0.225 332 S C 2.060 176.667 174.600 0.013 0.000 1.030 332 S CA 1.356 59.534 58.200 -0.036 0.000 0.999 332 S CB -0.429 62.589 63.200 -0.303 0.000 0.844 332 S HN 0.611 nan 8.310 nan 0.000 0.459 333 R N 1.022 121.405 120.500 -0.195 0.000 2.096 333 R HA -0.080 4.260 4.340 -0.000 0.000 0.240 333 R C 2.156 178.472 176.300 0.027 0.000 1.139 333 R CA 1.381 57.322 56.100 -0.265 0.000 0.952 333 R CB -0.452 29.339 30.300 -0.849 0.000 0.854 333 R HN 0.352 nan 8.270 nan 0.000 0.436 334 L N 0.272 121.546 121.223 0.086 0.000 2.083 334 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 334 L C 2.451 179.580 176.870 0.431 0.000 1.083 334 L CA 1.238 56.257 54.840 0.299 0.000 0.752 334 L CB -0.348 41.911 42.059 0.332 0.000 0.899 334 L HN 0.300 nan 8.230 nan 0.000 0.433 335 I N -0.381 120.408 120.570 0.366 0.000 2.179 335 I HA -0.317 3.852 4.170 -0.000 0.000 0.242 335 I C 2.381 178.641 176.117 0.237 0.000 1.088 335 I CA 1.267 62.724 61.300 0.262 0.000 1.357 335 I CB -0.233 37.904 38.000 0.228 0.000 1.051 335 I HN 0.200 nan 8.210 nan 0.000 0.409 336 L N 0.228 121.612 121.223 0.269 0.000 2.141 336 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 336 L C 2.535 179.532 176.870 0.211 0.000 1.094 336 L CA 1.469 56.495 54.840 0.310 0.000 0.763 336 L CB -0.617 41.669 42.059 0.378 0.000 0.908 336 L HN 0.294 nan 8.230 nan 0.000 0.437 337 I N 0.195 120.891 120.570 0.209 0.000 2.179 337 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 337 I C 2.674 178.903 176.117 0.186 0.000 1.088 337 I CA 1.507 62.915 61.300 0.181 0.000 1.357 337 I CB -0.782 37.341 38.000 0.205 0.000 1.051 337 I HN 0.251 nan 8.210 nan 0.000 0.409 338 G N 0.272 109.218 108.800 0.243 0.000 2.421 338 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.216 338 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.216 338 G C 1.508 176.517 174.900 0.181 0.000 1.171 338 G CA 0.619 45.873 45.100 0.256 0.000 0.775 338 G HN 0.407 nan 8.290 nan 0.000 0.543 339 E N -0.133 120.195 120.200 0.212 0.000 2.085 339 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 339 E C 2.794 179.556 176.600 0.271 0.000 0.994 339 E CA 1.540 58.096 56.400 0.259 0.000 0.801 339 E CB -0.248 29.679 29.700 0.378 0.000 0.743 339 E HN 0.365 nan 8.360 nan 0.000 0.453 340 T N 1.460 116.160 114.554 0.243 0.000 2.674 340 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 340 T C 2.018 176.725 174.700 0.012 0.000 1.039 340 T CA 1.050 63.257 62.100 0.179 0.000 1.150 340 T CB -0.237 68.635 68.868 0.007 0.000 0.864 340 T HN 0.120 nan 8.240 nan 0.000 0.427 341 I N 0.871 121.377 120.570 -0.107 0.000 2.226 341 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 341 I C 2.586 178.377 176.117 -0.543 0.000 1.100 341 I CA 1.251 62.333 61.300 -0.363 0.000 1.374 341 I CB -0.337 37.335 38.000 -0.545 0.000 1.057 341 I HN 0.168 nan 8.210 nan 0.000 0.413 342 K N 1.809 121.940 120.400 -0.447 0.000 2.032 342 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 342 K C 1.894 178.497 176.600 0.004 0.000 1.048 342 K CA 1.750 57.949 56.287 -0.147 0.000 0.927 342 K CB -0.294 32.291 32.500 0.140 0.000 0.712 342 K HN 0.236 nan 8.250 nan 0.000 0.441 343 I N 0.017 120.627 120.570 0.067 0.000 2.315 343 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 343 I C 2.019 178.193 176.117 0.095 0.000 1.117 343 I CA 0.728 62.099 61.300 0.118 0.000 1.404 343 I CB -0.141 37.990 38.000 0.218 0.000 1.071 343 I HN -0.026 nan 8.210 nan 0.000 0.419 344 V N 0.999 120.916 119.914 0.005 0.000 2.343 344 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 344 V C 2.248 178.417 176.094 0.125 0.000 1.051 344 V CA 1.873 64.147 62.300 -0.044 0.000 1.036 344 V CB -0.354 31.235 31.823 -0.390 0.000 0.654 344 V HN 0.333 nan 8.190 nan 0.000 0.451 345 I N -0.526 120.079 120.570 0.058 0.000 2.277 345 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 345 I C 2.365 178.558 176.117 0.127 0.000 1.094 345 I CA 1.395 62.760 61.300 0.108 0.000 1.393 345 I CB -0.209 37.844 38.000 0.088 0.000 1.078 345 I HN 0.295 nan 8.210 nan 0.000 0.417 346 E N 0.082 120.350 120.200 0.114 0.000 2.447 346 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 346 E C 0.712 177.379 176.600 0.112 0.000 1.028 346 E CA 0.437 56.895 56.400 0.097 0.000 0.876 346 E CB 0.356 30.109 29.700 0.089 0.000 0.885 346 E HN 0.503 nan 8.360 nan 0.000 0.500 347 D N -0.644 119.864 120.400 0.180 0.000 3.099 347 D HA -0.045 4.595 4.640 -0.000 0.000 0.291 347 D C 1.522 178.098 176.300 0.459 0.000 1.209 347 D CA 0.158 54.323 54.000 0.275 0.000 1.032 347 D CB -0.318 40.621 40.800 0.232 0.000 1.324 347 D HN 0.040 nan 8.370 nan 0.000 0.440 348 Y N 2.579 123.031 120.300 0.253 0.000 2.092 348 Y HA -0.177 4.372 4.550 -0.000 0.000 0.282 348 Y C 2.239 178.272 175.900 0.221 0.000 1.126 348 Y CA 1.554 59.687 58.100 0.054 0.000 1.111 348 Y CB -0.390 37.967 38.460 -0.171 0.000 0.987 348 Y HN -0.268 nan 8.280 nan 0.000 0.489 349 V N 0.668 120.769 119.914 0.312 0.000 2.358 349 V HA -0.298 3.821 4.120 -0.000 0.000 0.246 349 V C 2.321 178.436 176.094 0.035 0.000 1.047 349 V CA 2.038 64.448 62.300 0.182 0.000 1.035 349 V CB -0.885 31.082 31.823 0.240 0.000 0.658 349 V HN 0.431 nan 8.190 nan 0.000 0.452 350 Q N 0.626 120.467 119.800 0.068 0.000 2.062 350 Q HA -0.311 4.029 4.340 -0.000 0.000 0.209 350 Q C 2.128 178.101 176.000 -0.045 0.000 0.996 350 Q CA 2.809 58.611 55.803 -0.001 0.000 0.859 350 Q CB -0.662 28.107 28.738 0.052 0.000 0.920 350 Q HN 0.841 nan 8.270 nan 0.000 0.415 351 H N -0.585 118.461 119.070 -0.041 0.000 2.319 351 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 351 H C 1.836 177.023 175.328 -0.234 0.000 1.092 351 H CA 2.114 58.100 56.048 -0.104 0.000 1.302 351 H CB -0.394 29.360 29.762 -0.014 0.000 1.373 351 H HN 0.327 nan 8.280 nan 0.000 0.497 352 L N 0.114 121.126 121.223 -0.353 0.000 1.990 352 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 352 L C 2.922 179.574 176.870 -0.363 0.000 1.072 352 L CA 1.789 56.403 54.840 -0.377 0.000 0.755 352 L CB -0.798 41.229 42.059 -0.052 0.000 0.889 352 L HN 0.545 nan 8.230 nan 0.000 0.432 353 S N -0.230 115.236 115.700 -0.389 0.000 2.374 353 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 353 S C 1.739 176.008 174.600 -0.552 0.000 1.037 353 S CA 1.209 58.990 58.200 -0.699 0.000 1.024 353 S CB -0.876 61.517 63.200 -1.345 0.000 0.861 353 S HN 0.656 nan 8.310 nan 0.000 0.456 354 G N -0.362 108.179 108.800 -0.433 0.000 2.155 354 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.257 354 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.257 354 G C -0.086 174.674 174.900 -0.232 0.000 0.983 354 G CA 0.395 45.315 45.100 -0.301 0.000 0.676 354 G HN 0.555 nan 8.290 nan 0.000 0.528 355 Y N 0.268 120.397 120.300 -0.286 0.000 2.457 355 Y HA 0.360 4.910 4.550 -0.000 0.000 0.341 355 Y C 1.833 177.515 175.900 -0.365 0.000 1.240 355 Y CA -0.592 57.282 58.100 -0.378 0.000 1.437 355 Y CB 0.383 38.695 38.460 -0.246 0.000 1.328 355 Y HN 0.231 nan 8.280 nan 0.000 0.588 356 H N 1.276 120.273 119.070 -0.121 0.000 2.512 356 H HA -0.055 4.501 4.556 -0.000 0.000 0.279 356 H C 0.263 175.540 175.328 -0.085 0.000 0.999 356 H CA 0.059 56.058 56.048 -0.080 0.000 1.283 356 H CB -0.106 29.680 29.762 0.041 0.000 1.421 356 H HN 0.467 nan 8.280 nan 0.000 0.554 357 F N 2.865 122.561 119.950 -0.423 0.000 2.504 357 F HA 0.147 4.674 4.527 -0.000 0.000 0.369 357 F C 0.514 176.274 175.800 -0.066 0.000 1.082 357 F CA -0.608 57.185 58.000 -0.344 0.000 1.216 357 F CB 0.488 38.979 39.000 -0.847 0.000 1.108 357 F HN -0.290 nan 8.300 nan 0.000 0.554 358 K N 8.016 128.015 120.400 -0.668 0.000 2.292 358 K HA 0.233 4.553 4.320 -0.000 0.000 0.290 358 K C -0.331 175.759 176.600 -0.851 0.000 1.083 358 K CA -0.309 55.651 56.287 -0.544 0.000 0.918 358 K CB 0.379 32.709 32.500 -0.283 0.000 1.089 358 K HN 0.671 nan 8.250 nan 0.000 0.473 359 L N 2.883 123.836 121.223 -0.450 0.000 2.483 359 L HA 0.115 4.455 4.340 -0.000 0.000 0.275 359 L C 0.426 177.226 176.870 -0.116 0.000 1.220 359 L CA 0.429 55.142 54.840 -0.212 0.000 0.833 359 L CB 0.160 42.230 42.059 0.018 0.000 1.102 359 L HN 0.468 nan 8.230 nan 0.000 0.490 360 K N 1.646 122.043 120.400 -0.006 0.000 2.443 360 K HA 0.325 4.644 4.320 -0.000 0.000 0.252 360 K C -1.335 175.342 176.600 0.128 0.000 0.933 360 K CA -0.704 55.607 56.287 0.040 0.000 0.792 360 K CB 1.455 33.961 32.500 0.008 0.000 1.185 360 K HN 0.291 nan 8.250 nan 0.000 0.425 361 F N 4.502 124.444 119.950 -0.013 0.000 2.404 361 F HA 0.324 4.850 4.527 -0.000 0.000 0.359 361 F C -0.901 174.860 175.800 -0.066 0.000 1.134 361 F CA -0.581 57.398 58.000 -0.036 0.000 1.160 361 F CB 0.497 39.495 39.000 -0.004 0.000 1.186 361 F HN 0.483 nan 8.300 nan 0.000 0.526 362 D N 8.276 128.391 120.400 -0.475 0.000 2.323 362 D HA 0.327 4.967 4.640 -0.000 0.000 0.242 362 D C -2.291 173.604 176.300 -0.675 0.000 1.347 362 D CA -1.875 51.783 54.000 -0.569 0.000 0.988 362 D CB 1.940 42.597 40.800 -0.238 0.000 1.314 362 D HN 0.166 nan 8.370 nan 0.000 0.564 363 P HA -0.093 nan 4.420 nan 0.000 0.218 363 P C 0.919 177.497 177.300 -1.203 0.000 1.148 363 P CA 0.858 63.373 63.100 -0.976 0.000 0.822 363 P CB 0.394 31.303 31.700 -1.318 0.000 0.784 364 E N -0.723 118.816 120.200 -1.102 0.000 2.267 364 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 364 E C 1.729 177.943 176.600 -0.644 0.000 0.998 364 E CA 0.611 56.344 56.400 -1.113 0.000 0.830 364 E CB -0.565 28.984 29.700 -0.251 0.000 0.751 364 E HN 0.283 nan 8.360 nan 0.000 0.491 365 L N 0.022 120.979 121.223 -0.443 0.000 2.201 365 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 365 L C 1.894 178.659 176.870 -0.175 0.000 1.105 365 L CA 0.739 55.447 54.840 -0.220 0.000 0.775 365 L CB -0.085 41.877 42.059 -0.162 0.000 0.913 365 L HN 0.194 nan 8.230 nan 0.000 0.440 366 L N -1.916 119.153 121.223 -0.256 0.000 2.607 366 L HA 0.032 4.371 4.340 -0.000 0.000 0.228 366 L C 1.788 178.787 176.870 0.215 0.000 1.123 366 L CA -0.314 54.476 54.840 -0.083 0.000 0.890 366 L CB -0.106 41.813 42.059 -0.234 0.000 1.103 366 L HN 0.102 nan 8.230 nan 0.000 0.468 367 F N 1.185 121.200 119.950 0.108 0.000 2.365 367 F HA -0.108 4.418 4.527 -0.000 0.000 0.300 367 F C 1.898 177.775 175.800 0.129 0.000 1.090 367 F CA 0.489 58.580 58.000 0.152 0.000 1.408 367 F CB -0.701 38.384 39.000 0.142 0.000 1.060 367 F HN 0.356 nan 8.300 nan 0.000 0.534 368 N N -0.476 118.389 118.700 0.274 0.000 2.321 368 N HA 0.036 4.776 4.740 -0.000 0.000 0.242 368 N C -0.286 175.311 175.510 0.144 0.000 1.141 368 N CA 0.046 53.207 53.050 0.186 0.000 0.864 368 N CB -0.022 38.556 38.487 0.152 0.000 1.100 368 N HN 0.135 nan 8.380 nan 0.000 0.510 369 Q N 0.191 120.086 119.800 0.158 0.000 2.413 369 Q HA 0.306 4.646 4.340 -0.000 0.000 0.276 369 Q C -0.648 175.441 176.000 0.149 0.000 1.099 369 Q CA -0.448 55.431 55.803 0.126 0.000 0.814 369 Q CB 2.052 30.844 28.738 0.091 0.000 1.379 369 Q HN 0.302 nan 8.270 nan 0.000 0.436 370 Q N 1.308 121.182 119.800 0.123 0.000 2.307 370 Q HA 0.439 4.779 4.340 -0.000 0.000 0.261 370 Q C -1.076 175.021 176.000 0.162 0.000 1.051 370 Q CA 0.251 56.121 55.803 0.113 0.000 0.911 370 Q CB 0.343 29.122 28.738 0.070 0.000 1.227 370 Q HN 0.362 nan 8.270 nan 0.000 0.418 371 F N 1.609 121.502 119.950 -0.094 0.000 2.615 371 F HA 0.186 4.713 4.527 -0.000 0.000 0.312 371 F C -1.400 174.197 175.800 -0.337 0.000 1.119 371 F CA -0.847 57.024 58.000 -0.216 0.000 0.979 371 F CB 1.763 40.592 39.000 -0.284 0.000 1.266 371 F HN 0.270 nan 8.300 nan 0.000 0.444 372 Q N 5.402 124.612 119.800 -0.984 0.000 2.331 372 Q HA 0.187 4.527 4.340 -0.000 0.000 0.257 372 Q C -1.216 174.320 176.000 -0.774 0.000 0.957 372 Q CA -0.312 55.097 55.803 -0.657 0.000 0.923 372 Q CB 0.981 29.473 28.738 -0.411 0.000 1.212 372 Q HN 0.641 nan 8.270 nan 0.000 0.443 373 Y N 2.832 123.051 120.300 -0.135 0.000 2.724 373 Y HA 0.075 4.625 4.550 -0.000 0.000 0.354 373 Y C 0.579 176.458 175.900 -0.035 0.000 1.270 373 Y CA -0.138 57.967 58.100 0.008 0.000 1.902 373 Y CB -0.005 38.534 38.460 0.131 0.000 1.981 373 Y HN 0.384 nan 8.280 nan 0.000 0.428 374 Q N -0.328 119.458 119.800 -0.022 0.000 2.472 374 Q HA 0.549 4.889 4.340 -0.000 0.000 0.281 374 Q C -1.942 174.020 176.000 -0.064 0.000 0.997 374 Q CA -1.209 54.582 55.803 -0.020 0.000 0.828 374 Q CB 2.122 30.843 28.738 -0.028 0.000 1.443 374 Q HN 0.247 nan 8.270 nan 0.000 0.390 375 N N -0.116 118.559 118.700 -0.041 0.000 2.329 375 N HA 0.644 5.383 4.740 -0.000 0.000 0.282 375 N C -2.085 173.382 175.510 -0.073 0.000 1.198 375 N CA -0.610 52.412 53.050 -0.046 0.000 0.790 375 N CB 2.388 40.864 38.487 -0.018 0.000 1.579 375 N HN 0.599 nan 8.380 nan 0.000 0.475 376 R N 2.644 123.096 120.500 -0.081 0.000 2.502 376 R HA 0.476 4.816 4.340 -0.000 0.000 0.298 376 R C -1.089 175.247 176.300 0.061 0.000 1.018 376 R CA -0.552 55.447 56.100 -0.167 0.000 0.899 376 R CB 0.462 30.589 30.300 -0.287 0.000 1.181 376 R HN 0.520 nan 8.270 nan 0.000 0.444 377 I N 3.658 124.434 120.570 0.343 0.000 2.662 377 I HA 0.138 4.307 4.170 -0.000 0.000 0.285 377 I C 0.673 176.990 176.117 0.332 0.000 1.161 377 I CA 0.189 61.707 61.300 0.364 0.000 1.415 377 I CB 0.162 38.450 38.000 0.481 0.000 1.385 377 I HN 0.702 nan 8.210 nan 0.000 0.552 378 A N 4.955 127.841 122.820 0.110 0.000 2.327 378 A HA 0.274 4.593 4.320 -0.000 0.000 0.283 378 A C 1.297 178.820 177.584 -0.101 0.000 1.127 378 A CA -0.134 51.877 52.037 -0.043 0.000 0.810 378 A CB 0.718 19.493 19.000 -0.375 0.000 1.066 378 A HN 0.799 nan 8.150 nan 0.000 0.492 379 S N 0.940 116.586 115.700 -0.090 0.000 2.383 379 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 379 S C 1.557 176.029 174.600 -0.214 0.000 1.030 379 S CA 2.266 60.315 58.200 -0.253 0.000 1.002 379 S CB -0.337 62.851 63.200 -0.019 0.000 0.829 379 S HN 0.782 nan 8.310 nan 0.000 0.467 380 E N 0.161 120.254 120.200 -0.178 0.000 2.150 380 E HA -0.006 4.343 4.350 -0.000 0.000 0.193 380 E C 1.545 178.052 176.600 -0.154 0.000 0.985 380 E CA 0.817 57.122 56.400 -0.159 0.000 0.814 380 E CB -0.322 29.280 29.700 -0.162 0.000 0.752 380 E HN 0.579 nan 8.360 nan 0.000 0.466 381 F N 1.985 121.591 119.950 -0.572 0.000 2.134 381 F HA -0.167 4.359 4.527 -0.000 0.000 0.299 381 F C 1.962 177.537 175.800 -0.375 0.000 1.097 381 F CA 1.525 59.246 58.000 -0.466 0.000 1.264 381 F CB -0.658 37.930 39.000 -0.686 0.000 1.001 381 F HN -0.006 nan 8.300 nan 0.000 0.479 382 N N -0.401 117.834 118.700 -0.774 0.000 2.069 382 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 382 N C 1.687 176.703 175.510 -0.823 0.000 1.031 382 N CA 2.595 54.762 53.050 -1.472 0.000 0.852 382 N CB -0.629 37.104 38.487 -1.257 0.000 1.018 382 N HN 0.283 nan 8.380 nan 0.000 0.423 383 T N 0.866 115.063 114.554 -0.597 0.000 2.708 383 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 383 T C 1.775 176.293 174.700 -0.304 0.000 1.037 383 T CA 1.617 63.347 62.100 -0.618 0.000 1.146 383 T CB -0.524 68.160 68.868 -0.307 0.000 0.865 383 T HN 0.449 nan 8.240 nan 0.000 0.435 384 L N -1.330 119.829 121.223 -0.107 0.000 2.362 384 L HA 0.129 4.469 4.340 -0.000 0.000 0.219 384 L C 1.825 178.717 176.870 0.037 0.000 1.134 384 L CA 1.431 56.302 54.840 0.052 0.000 0.807 384 L CB -1.057 41.051 42.059 0.080 0.000 0.927 384 L HN 0.066 nan 8.230 nan 0.000 0.447 385 Y N 0.129 120.260 120.300 -0.282 0.000 2.466 385 Y HA 0.190 4.740 4.550 -0.000 0.000 0.272 385 Y C 0.849 176.453 175.900 -0.494 0.000 1.169 385 Y CA -0.513 57.188 58.100 -0.665 0.000 1.285 385 Y CB -0.425 37.608 38.460 -0.711 0.000 1.078 385 Y HN 0.339 nan 8.280 nan 0.000 0.523 386 H N -0.286 118.662 119.070 -0.203 0.000 3.195 386 H HA -0.061 4.494 4.556 -0.000 0.000 0.241 386 H C -0.508 174.739 175.328 -0.135 0.000 1.823 386 H CA -0.336 55.552 56.048 -0.268 0.000 1.466 386 H CB -0.388 29.171 29.762 -0.338 0.000 1.819 386 H HN 0.284 nan 8.280 nan 0.000 0.575 387 W N 1.917 123.202 121.300 -0.024 0.000 1.694 387 W HA 0.112 4.772 4.660 -0.000 0.000 0.425 387 W C 0.703 177.274 176.519 0.087 0.000 0.615 387 W CA -0.922 56.465 57.345 0.069 0.000 2.237 387 W CB -1.363 28.216 29.460 0.197 0.000 1.478 387 W HN 0.668 nan 8.180 nan 0.000 0.427 388 H N 0.699 120.018 119.070 0.416 0.000 2.387 388 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 388 H C -0.503 174.976 175.328 0.252 0.000 1.099 388 H CA 1.423 57.650 56.048 0.298 0.000 1.315 388 H CB -1.201 28.717 29.762 0.259 0.000 1.380 388 H HN 0.031 nan 8.280 nan 0.000 0.513 389 P HA -0.123 nan 4.420 nan 0.000 0.228 389 P C 1.050 178.466 177.300 0.192 0.000 1.151 389 P CA 0.969 64.194 63.100 0.208 0.000 0.770 389 P CB 0.007 31.776 31.700 0.115 0.000 0.786 390 L N -1.679 119.685 121.223 0.235 0.000 2.131 390 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 390 L C 1.115 178.098 176.870 0.189 0.000 1.092 390 L CA 0.535 55.503 54.840 0.212 0.000 0.759 390 L CB -0.619 41.615 42.059 0.293 0.000 0.903 390 L HN 0.007 nan 8.230 nan 0.000 0.435 391 L N 1.526 122.879 121.223 0.216 0.000 2.455 391 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 391 L C -1.833 175.106 176.870 0.114 0.000 1.174 391 L CA -1.480 53.464 54.840 0.173 0.000 0.869 391 L CB 0.000 42.290 42.059 0.386 0.000 1.130 391 L HN -0.096 nan 8.230 nan 0.000 0.474 392 P HA 0.122 nan 4.420 nan 0.000 0.279 392 P C -0.386 176.733 177.300 -0.302 0.000 1.276 392 P CA -0.480 62.400 63.100 -0.367 0.000 0.801 392 P CB 1.098 32.451 31.700 -0.578 0.000 1.127 393 D N -1.015 119.162 120.400 -0.370 0.000 2.123 393 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 393 D C 0.889 177.095 176.300 -0.156 0.000 0.976 393 D CA 1.742 55.657 54.000 -0.143 0.000 0.831 393 D CB -0.159 40.535 40.800 -0.176 0.000 0.974 393 D HN 0.535 nan 8.370 nan 0.000 0.469 394 T N -2.374 111.947 114.554 -0.389 0.000 2.906 394 T HA 0.585 4.934 4.350 -0.000 0.000 0.295 394 T C -0.735 173.591 174.700 -0.622 0.000 1.075 394 T CA -0.915 60.960 62.100 -0.375 0.000 1.005 394 T CB 1.402 70.178 68.868 -0.154 0.000 1.136 394 T HN -0.197 nan 8.240 nan 0.000 0.498 395 F N 1.997 121.804 119.950 -0.239 0.000 2.332 395 F HA 0.430 4.956 4.527 -0.000 0.000 0.368 395 F C 0.329 176.087 175.800 -0.069 0.000 1.110 395 F CA -1.095 56.751 58.000 -0.257 0.000 1.087 395 F CB 0.883 39.397 39.000 -0.810 0.000 1.235 395 F HN 0.416 nan 8.300 nan 0.000 0.470 396 N N 5.503 124.247 118.700 0.073 0.000 2.420 396 N HA 0.423 5.163 4.740 -0.000 0.000 0.249 396 N C -0.703 174.742 175.510 -0.108 0.000 1.033 396 N CA -0.093 52.940 53.050 -0.030 0.000 0.944 396 N CB 1.281 39.733 38.487 -0.059 0.000 1.113 396 N HN 0.521 nan 8.380 nan 0.000 0.502 397 I N 1.535 121.988 120.570 -0.196 0.000 2.439 397 I HA 0.132 4.302 4.170 -0.000 0.000 0.283 397 I C 0.714 176.615 176.117 -0.361 0.000 1.023 397 I CA -0.383 60.662 61.300 -0.426 0.000 1.100 397 I CB 0.957 38.542 38.000 -0.692 0.000 1.238 397 I HN 0.470 nan 8.210 nan 0.000 0.445 398 E N 2.971 123.025 120.200 -0.242 0.000 3.171 398 E HA -0.305 4.045 4.350 -0.000 0.000 0.412 398 E C -0.085 176.472 176.600 -0.072 0.000 1.516 398 E CA 1.937 58.278 56.400 -0.099 0.000 1.196 398 E CB -0.555 29.154 29.700 0.014 0.000 1.522 398 E HN 0.727 nan 8.360 nan 0.000 0.487 399 D N 0.788 121.167 120.400 -0.034 0.000 2.379 399 D HA 0.075 4.714 4.640 -0.000 0.000 0.208 399 D C -0.088 176.157 176.300 -0.092 0.000 1.065 399 D CA 0.461 54.435 54.000 -0.044 0.000 0.848 399 D CB 0.270 41.064 40.800 -0.011 0.000 0.949 399 D HN 0.072 nan 8.370 nan 0.000 0.509 400 Q N 1.125 120.839 119.800 -0.144 0.000 2.257 400 Q HA 0.261 4.601 4.340 -0.000 0.000 0.255 400 Q C -0.002 175.757 176.000 -0.402 0.000 0.920 400 Q CA -0.184 55.418 55.803 -0.334 0.000 0.927 400 Q CB 1.639 30.074 28.738 -0.504 0.000 1.229 400 Q HN 0.359 nan 8.270 nan 0.000 0.433 401 E N 1.791 121.771 120.200 -0.367 0.000 2.114 401 E HA 0.386 4.736 4.350 -0.000 0.000 0.266 401 E C -1.164 175.303 176.600 -0.221 0.000 0.896 401 E CA -0.646 55.611 56.400 -0.238 0.000 0.750 401 E CB 0.546 30.164 29.700 -0.136 0.000 1.121 401 E HN 0.333 nan 8.360 nan 0.000 0.413 402 Y N 1.788 122.144 120.300 0.094 0.000 2.320 402 Y HA 0.190 4.740 4.550 -0.000 0.000 0.334 402 Y C 1.027 177.048 175.900 0.201 0.000 1.055 402 Y CA -0.682 57.531 58.100 0.189 0.000 1.143 402 Y CB 1.586 40.241 38.460 0.326 0.000 1.193 402 Y HN 0.623 nan 8.280 nan 0.000 0.477 403 S N 1.470 117.386 115.700 0.362 0.000 2.624 403 S HA 0.167 4.637 4.470 -0.000 0.000 0.263 403 S C 0.848 175.732 174.600 0.474 0.000 1.287 403 S CA -0.524 57.884 58.200 0.347 0.000 0.990 403 S CB 0.388 63.757 63.200 0.280 0.000 0.950 403 S HN 0.558 nan 8.310 nan 0.000 0.561 404 F N 0.881 121.048 119.950 0.363 0.000 2.126 404 F HA -0.086 4.440 4.527 -0.000 0.000 0.299 404 F C 3.048 179.046 175.800 0.330 0.000 1.096 404 F CA 1.865 60.118 58.000 0.422 0.000 1.255 404 F CB -0.824 38.358 39.000 0.304 0.000 0.997 404 F HN 0.626 nan 8.300 nan 0.000 0.479 405 K N 0.165 120.828 120.400 0.438 0.000 2.063 405 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 405 K C 1.970 178.738 176.600 0.280 0.000 1.048 405 K CA 1.904 58.374 56.287 0.306 0.000 0.928 405 K CB -0.601 32.037 32.500 0.229 0.000 0.713 405 K HN 0.522 nan 8.250 nan 0.000 0.442 406 Q N -1.903 118.085 119.800 0.313 0.000 2.167 406 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 406 Q C 1.920 178.083 176.000 0.272 0.000 0.970 406 Q CA 1.729 57.716 55.803 0.307 0.000 0.855 406 Q CB -0.126 28.862 28.738 0.417 0.000 0.911 406 Q HN 0.493 nan 8.270 nan 0.000 0.438 407 F N 0.570 120.578 119.950 0.096 0.000 2.179 407 F HA 0.038 4.565 4.527 -0.000 0.000 0.292 407 F C 0.415 176.162 175.800 -0.088 0.000 1.089 407 F CA -0.020 57.920 58.000 -0.099 0.000 1.295 407 F CB 0.132 38.950 39.000 -0.304 0.000 1.041 407 F HN -0.047 nan 8.300 nan 0.000 0.487 408 L N 1.377 122.660 121.223 0.101 0.000 2.628 408 L HA -0.117 4.223 4.340 -0.000 0.000 0.274 408 L C -0.353 176.569 176.870 0.087 0.000 1.209 408 L CA 0.637 55.492 54.840 0.026 0.000 0.930 408 L CB -1.384 40.784 42.059 0.182 0.000 1.183 408 L HN 0.365 nan 8.230 nan 0.000 0.492 409 Y N 0.951 121.247 120.300 -0.006 0.000 4.177 409 Y HA -0.313 4.237 4.550 -0.000 0.000 0.227 409 Y C 0.877 176.789 175.900 0.020 0.000 1.154 409 Y CA 0.941 59.068 58.100 0.045 0.000 1.887 409 Y CB -1.664 36.851 38.460 0.093 0.000 1.594 409 Y HN 0.764 nan 8.280 nan 0.000 0.668 410 N N 0.551 119.249 118.700 -0.004 0.000 2.904 410 N HA 0.175 4.915 4.740 -0.000 0.000 0.257 410 N C 0.519 175.952 175.510 -0.128 0.000 1.363 410 N CA -0.255 52.766 53.050 -0.048 0.000 0.856 410 N CB 0.165 38.602 38.487 -0.084 0.000 1.166 410 N HN 0.162 nan 8.380 nan 0.000 0.499 411 N N 0.162 118.837 118.700 -0.041 0.000 2.550 411 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 411 N C 1.150 176.632 175.510 -0.047 0.000 1.110 411 N CA 0.456 53.495 53.050 -0.017 0.000 0.912 411 N CB 0.296 38.891 38.487 0.180 0.000 0.968 411 N HN 0.344 nan 8.380 nan 0.000 0.448 412 S N 1.151 116.812 115.700 -0.065 0.000 2.382 412 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 412 S C 2.005 176.575 174.600 -0.051 0.000 1.027 412 S CA 0.541 58.702 58.200 -0.065 0.000 0.991 412 S CB -0.070 63.103 63.200 -0.046 0.000 0.823 412 S HN 0.326 nan 8.310 nan 0.000 0.469 413 I N 0.976 121.515 120.570 -0.052 0.000 2.208 413 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 413 I C 2.325 178.569 176.117 0.211 0.000 1.097 413 I CA 0.904 62.235 61.300 0.052 0.000 1.363 413 I CB -0.360 37.558 38.000 -0.137 0.000 1.051 413 I HN 0.240 nan 8.210 nan 0.000 0.413 414 L N 0.678 121.874 121.223 -0.045 0.000 2.017 414 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 414 L C 2.295 179.037 176.870 -0.215 0.000 1.073 414 L CA 1.875 56.475 54.840 -0.400 0.000 0.745 414 L CB -0.451 41.296 42.059 -0.519 0.000 0.894 414 L HN 0.134 nan 8.230 nan 0.000 0.432 415 L N -1.002 120.115 121.223 -0.175 0.000 2.109 415 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 415 L C 2.519 179.351 176.870 -0.065 0.000 1.086 415 L CA 1.380 56.120 54.840 -0.167 0.000 0.760 415 L CB -0.635 41.304 42.059 -0.201 0.000 0.910 415 L HN 0.424 nan 8.230 nan 0.000 0.437 416 E N -0.425 119.735 120.200 -0.067 0.000 2.072 416 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 416 E C 2.123 178.640 176.600 -0.139 0.000 0.985 416 E CA 1.077 57.400 56.400 -0.129 0.000 0.801 416 E CB 0.152 29.725 29.700 -0.211 0.000 0.750 416 E HN 0.553 nan 8.360 nan 0.000 0.452 417 H N -0.715 118.431 119.070 0.127 0.000 2.431 417 H HA 0.178 4.733 4.556 -0.000 0.000 0.295 417 H C 1.103 176.505 175.328 0.124 0.000 1.038 417 H CA 0.996 57.143 56.048 0.164 0.000 1.360 417 H CB 0.549 30.490 29.762 0.298 0.000 1.433 417 H HN 0.294 nan 8.280 nan 0.000 0.536 418 G N 0.428 109.339 108.800 0.185 0.000 2.733 418 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.686 418 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.686 418 G C 0.370 175.303 174.900 0.054 0.000 1.373 418 G CA -0.123 45.036 45.100 0.098 0.000 0.838 418 G HN 0.174 nan 8.290 nan 0.000 0.588 419 L N 0.917 122.113 121.223 -0.045 0.000 2.141 419 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 419 L C 3.194 180.062 176.870 -0.002 0.000 1.094 419 L CA 2.968 57.755 54.840 -0.088 0.000 0.763 419 L CB -0.741 41.212 42.059 -0.177 0.000 0.908 419 L HN 0.826 nan 8.230 nan 0.000 0.437 420 T N -1.526 113.023 114.554 -0.008 0.000 2.708 420 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 420 T C 1.859 176.567 174.700 0.014 0.000 1.037 420 T CA 1.130 63.221 62.100 -0.015 0.000 1.146 420 T CB -0.127 68.724 68.868 -0.030 0.000 0.865 420 T HN 0.264 nan 8.240 nan 0.000 0.435 421 Q N -0.185 119.650 119.800 0.059 0.000 2.167 421 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 421 Q C 2.081 178.066 176.000 -0.025 0.000 0.970 421 Q CA 1.006 56.833 55.803 0.039 0.000 0.855 421 Q CB -0.451 28.350 28.738 0.104 0.000 0.911 421 Q HN 0.489 nan 8.270 nan 0.000 0.438 422 F N 0.053 119.885 119.950 -0.198 0.000 2.102 422 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 422 F C 2.444 178.089 175.800 -0.257 0.000 1.105 422 F CA 0.836 58.621 58.000 -0.359 0.000 1.239 422 F CB -0.639 38.215 39.000 -0.243 0.000 0.991 422 F HN -0.163 nan 8.300 nan 0.000 0.474 423 V N -0.147 119.808 119.914 0.068 0.000 2.295 423 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 423 V C 2.185 178.303 176.094 0.041 0.000 1.049 423 V CA 2.135 64.473 62.300 0.064 0.000 1.024 423 V CB -0.684 31.148 31.823 0.015 0.000 0.648 423 V HN 0.314 nan 8.190 nan 0.000 0.447 424 E N 0.132 120.325 120.200 -0.011 0.000 2.038 424 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 424 E C 2.441 179.026 176.600 -0.026 0.000 1.000 424 E CA 1.756 58.146 56.400 -0.017 0.000 0.803 424 E CB -0.264 29.413 29.700 -0.039 0.000 0.750 424 E HN 0.509 nan 8.360 nan 0.000 0.448 425 S N 0.237 115.865 115.700 -0.121 0.000 2.356 425 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 425 S C 1.636 176.242 174.600 0.009 0.000 1.032 425 S CA 0.931 59.033 58.200 -0.163 0.000 1.005 425 S CB -0.197 62.755 63.200 -0.414 0.000 0.867 425 S HN 0.169 nan 8.310 nan 0.000 0.449 426 F N 2.019 121.977 119.950 0.014 0.000 2.367 426 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 426 F C 2.665 178.539 175.800 0.123 0.000 1.094 426 F CA 0.444 58.505 58.000 0.101 0.000 1.409 426 F CB -1.667 37.450 39.000 0.196 0.000 1.064 426 F HN 0.125 nan 8.300 nan 0.000 0.528 427 T N 0.519 115.235 114.554 0.271 0.000 2.833 427 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 427 T C 2.027 176.810 174.700 0.138 0.000 1.054 427 T CA 1.416 63.625 62.100 0.181 0.000 1.135 427 T CB -0.208 68.731 68.868 0.118 0.000 0.869 427 T HN 0.356 nan 8.240 nan 0.000 0.466 428 R N 1.064 121.637 120.500 0.123 0.000 2.308 428 R HA 0.228 4.567 4.340 -0.000 0.000 0.202 428 R C 0.966 177.318 176.300 0.087 0.000 0.898 428 R CA -0.077 56.073 56.100 0.084 0.000 1.046 428 R CB 0.111 30.441 30.300 0.051 0.000 1.026 428 R HN 0.319 nan 8.270 nan 0.000 0.512 429 Q N 1.824 121.701 119.800 0.129 0.000 2.279 429 Q HA 0.264 4.604 4.340 -0.000 0.000 0.256 429 Q C -0.849 175.212 176.000 0.102 0.000 0.937 429 Q CA -0.455 55.411 55.803 0.106 0.000 0.933 429 Q CB 1.197 30.018 28.738 0.139 0.000 1.189 429 Q HN 0.320 nan 8.270 nan 0.000 0.417 430 I N 3.077 123.701 120.570 0.089 0.000 2.519 430 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 430 I C -0.266 175.956 176.117 0.176 0.000 1.047 430 I CA -0.108 61.264 61.300 0.122 0.000 1.381 430 I CB 1.018 39.096 38.000 0.130 0.000 1.417 430 I HN 0.835 nan 8.210 nan 0.000 0.540 431 A N 5.155 128.066 122.820 0.151 0.000 2.257 431 A HA 0.687 5.007 4.320 -0.000 0.000 0.289 431 A C 0.243 177.943 177.584 0.194 0.000 1.095 431 A CA -0.098 52.043 52.037 0.173 0.000 0.836 431 A CB 0.390 19.467 19.000 0.129 0.000 1.111 431 A HN 0.847 nan 8.150 nan 0.000 0.497 432 G N -0.590 108.328 108.800 0.198 0.000 2.507 432 G HA2 0.479 4.438 3.960 -0.000 0.000 0.271 432 G HA3 0.479 4.438 3.960 -0.000 0.000 0.271 432 G C 0.111 174.927 174.900 -0.139 0.000 1.189 432 G CA -0.613 44.466 45.100 -0.035 0.000 0.859 432 G HN 0.907 nan 8.290 nan 0.000 0.542 433 R N 0.821 121.172 120.500 -0.248 0.000 2.389 433 R HA 0.283 4.622 4.340 -0.000 0.000 0.295 433 R C 0.914 177.100 176.300 -0.190 0.000 1.075 433 R CA -0.490 55.456 56.100 -0.257 0.000 1.005 433 R CB 0.968 31.109 30.300 -0.265 0.000 0.987 433 R HN 0.211 nan 8.270 nan 0.000 0.452 434 V N 3.815 123.588 119.914 -0.234 0.000 2.346 434 V HA 0.024 4.144 4.120 -0.000 0.000 0.244 434 V C 1.182 177.230 176.094 -0.077 0.000 1.037 434 V CA 1.719 63.949 62.300 -0.117 0.000 1.029 434 V CB -0.605 31.141 31.823 -0.127 0.000 0.663 434 V HN 0.922 nan 8.190 nan 0.000 0.454 435 A N -0.738 122.024 122.820 -0.096 0.000 2.249 435 A HA 0.548 4.868 4.320 -0.000 0.000 0.281 435 A C 1.530 179.053 177.584 -0.101 0.000 1.127 435 A CA 0.489 52.483 52.037 -0.073 0.000 0.833 435 A CB -0.080 18.893 19.000 -0.045 0.000 1.140 435 A HN 1.335 nan 8.150 nan 0.000 0.502 436 G N -2.147 106.600 108.800 -0.089 0.000 2.195 436 G HA2 0.344 4.304 3.960 -0.000 0.000 0.246 436 G HA3 0.344 4.304 3.960 -0.000 0.000 0.246 436 G C 1.625 176.477 174.900 -0.081 0.000 0.984 436 G CA 0.644 45.690 45.100 -0.090 0.000 0.633 436 G HN 3.061 nan 8.290 nan 0.000 0.525 437 G N -0.681 108.073 108.800 -0.075 0.000 2.712 437 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 437 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 437 G C 0.195 175.064 174.900 -0.051 0.000 1.321 437 G CA 0.317 45.380 45.100 -0.062 0.000 0.813 437 G HN 1.679 nan 8.290 nan 0.000 0.599 438 R N -0.707 119.774 120.500 -0.033 0.000 3.188 438 R HA -0.215 4.124 4.340 -0.000 0.000 0.247 438 R C 0.489 176.780 176.300 -0.015 0.000 0.918 438 R CA 1.057 57.146 56.100 -0.019 0.000 0.629 438 R CB -1.147 29.139 30.300 -0.023 0.000 1.087 438 R HN 0.731 nan 8.270 nan 0.000 0.462 439 N N -0.852 117.849 118.700 0.002 0.000 2.142 439 N HA 0.083 4.822 4.740 -0.000 0.000 0.233 439 N C -0.908 174.649 175.510 0.077 0.000 1.335 439 N CA -0.012 53.049 53.050 0.019 0.000 0.837 439 N CB 1.198 39.666 38.487 -0.032 0.000 1.238 439 N HN 0.069 nan 8.380 nan 0.000 0.501 440 V N 2.909 122.874 119.914 0.084 0.000 2.470 440 V HA 0.327 4.447 4.120 -0.000 0.000 0.276 440 V C -2.010 174.124 176.094 0.067 0.000 1.040 440 V CA -1.292 61.080 62.300 0.119 0.000 1.008 440 V CB 0.828 32.730 31.823 0.132 0.000 0.990 440 V HN 0.099 nan 8.190 nan 0.000 0.477 441 P HA 0.134 nan 4.420 nan 0.000 0.266 441 P C 0.825 178.057 177.300 -0.113 0.000 1.195 441 P CA -0.101 62.980 63.100 -0.032 0.000 0.768 441 P CB 0.659 32.311 31.700 -0.080 0.000 0.838 442 I N 2.824 123.326 120.570 -0.113 0.000 2.335 442 I HA -0.271 3.898 4.170 -0.000 0.000 0.251 442 I C 2.291 178.301 176.117 -0.178 0.000 1.129 442 I CA 1.803 63.038 61.300 -0.108 0.000 1.402 442 I CB -0.957 37.003 38.000 -0.067 0.000 1.069 442 I HN 0.399 nan 8.210 nan 0.000 0.424 443 A N -0.004 122.615 122.820 -0.335 0.000 1.978 443 A HA -0.157 4.162 4.320 -0.000 0.000 0.220 443 A C 1.954 179.338 177.584 -0.333 0.000 1.170 443 A CA 2.005 53.779 52.037 -0.438 0.000 0.636 443 A CB -0.950 17.443 19.000 -1.011 0.000 0.810 443 A HN 0.393 nan 8.150 nan 0.000 0.448 444 V N -1.377 118.345 119.914 -0.319 0.000 3.099 444 V HA 0.137 4.257 4.120 -0.000 0.000 0.356 444 V C 1.456 177.452 176.094 -0.164 0.000 1.364 444 V CA 0.547 62.735 62.300 -0.187 0.000 1.229 444 V CB -0.857 30.882 31.823 -0.140 0.000 1.227 444 V HN 0.730 nan 8.190 nan 0.000 0.493 445 Q N 1.638 121.367 119.800 -0.119 0.000 2.170 445 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 445 Q C 2.000 177.965 176.000 -0.058 0.000 0.976 445 Q CA 2.252 58.012 55.803 -0.072 0.000 0.858 445 Q CB -0.453 28.257 28.738 -0.046 0.000 0.907 445 Q HN 0.616 nan 8.270 nan 0.000 0.433 446 A N 0.925 123.710 122.820 -0.058 0.000 2.015 446 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 446 A C 2.257 179.811 177.584 -0.051 0.000 1.163 446 A CA 1.270 53.284 52.037 -0.039 0.000 0.646 446 A CB -0.466 18.518 19.000 -0.026 0.000 0.806 446 A HN 0.269 nan 8.150 nan 0.000 0.448 447 V N -0.316 119.537 119.914 -0.101 0.000 2.379 447 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 447 V C 2.993 179.008 176.094 -0.131 0.000 1.044 447 V CA 1.696 63.915 62.300 -0.135 0.000 1.036 447 V CB -1.293 30.393 31.823 -0.228 0.000 0.664 447 V HN 0.559 nan 8.190 nan 0.000 0.453 448 A N -0.028 122.683 122.820 -0.181 0.000 1.933 448 A HA -0.247 4.072 4.320 -0.000 0.000 0.218 448 A C 2.357 180.020 177.584 0.133 0.000 1.175 448 A CA 2.127 54.212 52.037 0.079 0.000 0.628 448 A CB -0.484 18.600 19.000 0.140 0.000 0.814 448 A HN 0.510 nan 8.150 nan 0.000 0.444 449 K N -0.283 120.148 120.400 0.052 0.000 2.097 449 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 449 K C 2.113 178.722 176.600 0.015 0.000 1.049 449 K CA 1.157 57.471 56.287 0.045 0.000 0.933 449 K CB -0.304 32.208 32.500 0.019 0.000 0.717 449 K HN 0.373 nan 8.250 nan 0.000 0.442 450 A N 0.513 123.331 122.820 -0.004 0.000 1.933 450 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 450 A C 2.104 179.647 177.584 -0.069 0.000 1.175 450 A CA 1.878 53.904 52.037 -0.018 0.000 0.628 450 A CB -0.460 18.540 19.000 0.000 0.000 0.814 450 A HN 0.345 nan 8.150 nan 0.000 0.444 451 S N -0.077 115.551 115.700 -0.120 0.000 2.382 451 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 451 S C 1.759 176.138 174.600 -0.368 0.000 1.027 451 S CA 1.524 59.484 58.200 -0.400 0.000 0.991 451 S CB -0.462 62.204 63.200 -0.890 0.000 0.823 451 S HN 0.581 nan 8.310 nan 0.000 0.469 452 I N 1.668 122.162 120.570 -0.127 0.000 2.233 452 I HA -0.143 4.026 4.170 -0.000 0.000 0.243 452 I C 1.963 178.046 176.117 -0.056 0.000 1.093 452 I CA 1.032 62.330 61.300 -0.004 0.000 1.380 452 I CB -0.420 37.655 38.000 0.125 0.000 1.067 452 I HN 0.129 nan 8.210 nan 0.000 0.413 453 D N 0.681 121.052 120.400 -0.048 0.000 2.144 453 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 453 D C 2.227 178.482 176.300 -0.075 0.000 0.984 453 D CA 1.288 55.263 54.000 -0.042 0.000 0.834 453 D CB -0.232 40.556 40.800 -0.020 0.000 0.955 453 D HN 0.453 nan 8.370 nan 0.000 0.465 454 Q N 0.187 119.914 119.800 -0.122 0.000 2.187 454 Q HA -0.010 4.330 4.340 -0.000 0.000 0.199 454 Q C 2.292 178.123 176.000 -0.281 0.000 0.957 454 Q CA 0.700 56.414 55.803 -0.148 0.000 0.857 454 Q CB 0.141 28.804 28.738 -0.125 0.000 0.929 454 Q HN 0.073 nan 8.270 nan 0.000 0.453 455 S N 0.708 116.141 115.700 -0.444 0.000 2.370 455 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 455 S C 1.765 176.162 174.600 -0.337 0.000 1.033 455 S CA 1.187 58.928 58.200 -0.764 0.000 1.011 455 S CB -0.130 62.670 63.200 -0.666 0.000 0.852 455 S HN 0.316 nan 8.310 nan 0.000 0.457 456 R N 1.140 121.554 120.500 -0.143 0.000 2.075 456 R HA -0.095 4.244 4.340 -0.000 0.000 0.232 456 R C 2.536 178.839 176.300 0.004 0.000 1.126 456 R CA 1.524 57.610 56.100 -0.022 0.000 0.963 456 R CB -0.305 29.994 30.300 -0.002 0.000 0.858 456 R HN 0.690 nan 8.270 nan 0.000 0.435 457 E N 0.498 120.690 120.200 -0.013 0.000 2.208 457 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 457 E C 1.617 178.248 176.600 0.051 0.000 0.988 457 E CA 0.892 57.307 56.400 0.025 0.000 0.828 457 E CB -0.151 29.566 29.700 0.028 0.000 0.763 457 E HN 0.284 nan 8.360 nan 0.000 0.478 458 M N 0.673 120.291 119.600 0.030 0.000 2.659 458 M HA 0.051 4.531 4.480 -0.000 0.000 0.243 458 M C -0.349 176.076 176.300 0.208 0.000 1.111 458 M CA 0.351 55.717 55.300 0.110 0.000 1.070 458 M CB 0.187 32.852 32.600 0.108 0.000 1.525 458 M HN -0.109 nan 8.290 nan 0.000 0.517 459 K N -0.529 119.966 120.400 0.159 0.000 3.096 459 K HA -0.200 4.120 4.320 -0.000 0.000 0.266 459 K C -1.126 175.628 176.600 0.255 0.000 1.043 459 K CA 0.686 57.070 56.287 0.161 0.000 0.758 459 K CB -2.791 29.769 32.500 0.101 0.000 1.260 459 K HN 0.301 nan 8.250 nan 0.000 0.481 460 Y N 1.241 121.584 120.300 0.072 0.000 2.702 460 Y HA -0.043 4.506 4.550 -0.000 0.000 0.336 460 Y C 1.823 177.826 175.900 0.173 0.000 1.235 460 Y CA 0.160 58.346 58.100 0.143 0.000 1.492 460 Y CB 0.449 38.975 38.460 0.110 0.000 1.308 460 Y HN 0.149 nan 8.280 nan 0.000 0.589 461 Q N 1.039 121.034 119.800 0.325 0.000 2.396 461 Q HA 0.269 4.608 4.340 -0.000 0.000 0.221 461 Q C 0.239 176.440 176.000 0.334 0.000 1.025 461 Q CA -0.515 55.404 55.803 0.193 0.000 0.946 461 Q CB 0.751 29.440 28.738 -0.083 0.000 1.224 461 Q HN 0.800 nan 8.270 nan 0.000 0.539 462 S N 0.076 115.896 115.700 0.200 0.000 2.589 462 S HA -0.011 4.459 4.470 -0.000 0.000 0.265 462 S C 0.992 175.751 174.600 0.264 0.000 1.342 462 S CA -0.564 57.758 58.200 0.204 0.000 1.005 462 S CB 0.464 63.735 63.200 0.119 0.000 0.909 462 S HN 0.665 nan 8.310 nan 0.000 0.555 463 L N 1.348 122.687 121.223 0.193 0.000 1.990 463 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 463 L C 2.007 178.972 176.870 0.159 0.000 1.072 463 L CA 2.140 57.087 54.840 0.179 0.000 0.755 463 L CB -1.280 40.842 42.059 0.104 0.000 0.889 463 L HN 0.740 nan 8.230 nan 0.000 0.432 464 N N -0.274 118.478 118.700 0.087 0.000 2.289 464 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 464 N C 1.754 177.271 175.510 0.011 0.000 1.016 464 N CA 1.117 54.183 53.050 0.028 0.000 0.872 464 N CB -0.207 38.276 38.487 -0.007 0.000 0.973 464 N HN 0.491 nan 8.380 nan 0.000 0.433 465 E N -0.418 119.793 120.200 0.018 0.000 2.072 465 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 465 E C 1.636 178.177 176.600 -0.098 0.000 0.982 465 E CA 0.730 57.085 56.400 -0.075 0.000 0.803 465 E CB -0.330 29.289 29.700 -0.135 0.000 0.755 465 E HN 0.502 nan 8.360 nan 0.000 0.453 466 Y N 1.014 121.340 120.300 0.044 0.000 2.293 466 Y HA -0.070 4.479 4.550 -0.000 0.000 0.291 466 Y C 2.539 178.536 175.900 0.161 0.000 1.137 466 Y CA 1.072 59.246 58.100 0.124 0.000 1.202 466 Y CB -0.025 38.498 38.460 0.105 0.000 0.990 466 Y HN -0.042 nan 8.280 nan 0.000 0.537 467 R N 0.182 120.795 120.500 0.188 0.000 2.081 467 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 467 R C 2.142 178.472 176.300 0.051 0.000 1.131 467 R CA 1.457 57.605 56.100 0.080 0.000 0.960 467 R CB -0.199 30.073 30.300 -0.047 0.000 0.856 467 R HN 0.304 nan 8.270 nan 0.000 0.436 468 K N 0.148 120.547 120.400 -0.002 0.000 2.057 468 K HA -0.169 4.150 4.320 -0.000 0.000 0.207 468 K C 2.101 178.664 176.600 -0.061 0.000 1.049 468 K CA 1.148 57.404 56.287 -0.052 0.000 0.931 468 K CB -0.150 32.295 32.500 -0.092 0.000 0.714 468 K HN -0.077 nan 8.250 nan 0.000 0.440 469 R N 0.744 121.208 120.500 -0.059 0.000 2.170 469 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 469 R C 0.789 176.890 176.300 -0.332 0.000 1.145 469 R CA 1.485 57.477 56.100 -0.180 0.000 0.984 469 R CB -0.295 29.903 30.300 -0.171 0.000 0.869 469 R HN 0.088 nan 8.270 nan 0.000 0.455 470 F N 0.100 119.996 119.950 -0.090 0.000 2.772 470 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 470 F C 0.347 176.089 175.800 -0.098 0.000 1.136 470 F CA -0.087 57.842 58.000 -0.119 0.000 1.322 470 F CB 0.385 39.317 39.000 -0.112 0.000 0.967 470 F HN -0.099 nan 8.300 nan 0.000 0.513 471 S N 0.746 116.456 115.700 0.015 0.000 3.698 471 S HA -0.193 4.277 4.470 -0.000 0.000 0.338 471 S C -0.188 174.425 174.600 0.021 0.000 1.089 471 S CA 0.297 58.510 58.200 0.022 0.000 0.991 471 S CB -1.972 61.262 63.200 0.057 0.000 0.909 471 S HN 0.300 nan 8.310 nan 0.000 0.485 472 L N 0.309 121.534 121.223 0.002 0.000 2.342 472 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 472 L C 0.463 177.277 176.870 -0.093 0.000 1.008 472 L CA -0.988 53.825 54.840 -0.046 0.000 0.818 472 L CB 1.340 43.361 42.059 -0.063 0.000 1.296 472 L HN -0.095 nan 8.230 nan 0.000 0.427 473 K N 1.968 122.292 120.400 -0.126 0.000 2.379 473 K HA 0.235 4.555 4.320 -0.000 0.000 0.284 473 K C -2.342 174.119 176.600 -0.232 0.000 1.044 473 K CA -1.320 54.882 56.287 -0.142 0.000 0.974 473 K CB 0.232 32.664 32.500 -0.114 0.000 0.962 473 K HN 0.377 nan 8.250 nan 0.000 0.474 474 P HA 0.033 nan 4.420 nan 0.000 0.268 474 P C -0.639 176.564 177.300 -0.162 0.000 1.204 474 P CA -0.200 62.798 63.100 -0.170 0.000 0.768 474 P CB 0.193 31.838 31.700 -0.092 0.000 0.842 475 Y N 1.244 121.497 120.300 -0.079 0.000 2.620 475 Y HA -0.000 4.549 4.550 -0.000 0.000 0.330 475 Y C 2.182 178.002 175.900 -0.134 0.000 1.186 475 Y CA 0.690 58.727 58.100 -0.105 0.000 1.467 475 Y CB -0.109 38.271 38.460 -0.134 0.000 1.262 475 Y HN 0.404 nan 8.280 nan 0.000 0.550 476 T N -2.316 112.278 114.554 0.067 0.000 3.065 476 T HA 0.198 4.548 4.350 -0.000 0.000 0.252 476 T C 0.322 174.985 174.700 -0.062 0.000 1.099 476 T CA 0.428 62.520 62.100 -0.012 0.000 1.063 476 T CB -0.145 68.724 68.868 0.001 0.000 0.948 476 T HN 0.505 nan 8.240 nan 0.000 0.506 477 S N -0.926 114.719 115.700 -0.092 0.000 2.588 477 S HA 0.593 5.063 4.470 -0.000 0.000 0.269 477 S C -0.221 174.230 174.600 -0.248 0.000 1.157 477 S CA -0.956 57.156 58.200 -0.147 0.000 0.824 477 S CB 0.365 63.552 63.200 -0.022 0.000 1.126 477 S HN -0.077 nan 8.310 nan 0.000 0.464 478 F N 1.007 120.920 119.950 -0.063 0.000 2.325 478 F HA 0.165 4.691 4.527 -0.000 0.000 0.299 478 F C 2.466 178.180 175.800 -0.142 0.000 1.090 478 F CA 1.085 59.015 58.000 -0.117 0.000 1.392 478 F CB -0.305 38.647 39.000 -0.081 0.000 1.053 478 F HN 0.687 nan 8.300 nan 0.000 0.521 479 E N -0.032 120.207 120.200 0.065 0.000 2.152 479 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 479 E C 2.002 178.564 176.600 -0.063 0.000 0.983 479 E CA 0.864 57.265 56.400 0.002 0.000 0.818 479 E CB -0.154 29.558 29.700 0.019 0.000 0.758 479 E HN 0.499 nan 8.360 nan 0.000 0.467 480 E N 0.570 120.717 120.200 -0.088 0.000 2.152 480 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 480 E C 2.090 178.464 176.600 -0.377 0.000 0.983 480 E CA 0.334 56.676 56.400 -0.098 0.000 0.818 480 E CB 0.116 29.842 29.700 0.044 0.000 0.758 480 E HN 0.085 nan 8.360 nan 0.000 0.467 481 L N 0.589 121.419 121.223 -0.655 0.000 2.056 481 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 481 L C 2.360 178.950 176.870 -0.466 0.000 1.078 481 L CA 2.520 56.748 54.840 -1.019 0.000 0.749 481 L CB -0.700 40.926 42.059 -0.723 0.000 0.901 481 L HN 0.219 nan 8.230 nan 0.000 0.433 482 T N -4.561 109.847 114.554 -0.243 0.000 3.040 482 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 482 T C 1.541 176.182 174.700 -0.099 0.000 1.064 482 T CA 0.407 62.424 62.100 -0.138 0.000 1.110 482 T CB -0.283 68.536 68.868 -0.082 0.000 0.921 482 T HN 0.665 nan 8.240 nan 0.000 0.480 483 G N 1.437 110.185 108.800 -0.087 0.000 2.160 483 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.251 483 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.251 483 G C -0.192 174.686 174.900 -0.037 0.000 1.008 483 G CA 0.492 45.562 45.100 -0.050 0.000 0.724 483 G HN 0.946 nan 8.290 nan 0.000 0.514 484 E N -1.275 118.902 120.200 -0.038 0.000 2.412 484 E HA 0.507 4.857 4.350 -0.000 0.000 0.279 484 E C 0.457 177.043 176.600 -0.022 0.000 0.984 484 E CA -0.353 56.029 56.400 -0.030 0.000 0.788 484 E CB 0.922 30.599 29.700 -0.038 0.000 1.277 484 E HN -0.014 nan 8.360 nan 0.000 0.455 485 K N 1.259 121.649 120.400 -0.018 0.000 2.168 485 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 485 K C 1.726 178.316 176.600 -0.017 0.000 1.049 485 K CA 1.325 57.605 56.287 -0.012 0.000 0.974 485 K CB -0.094 32.401 32.500 -0.009 0.000 0.792 485 K HN 0.595 nan 8.250 nan 0.000 0.463 486 E N 0.395 120.582 120.200 -0.022 0.000 2.028 486 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 486 E C 2.090 178.669 176.600 -0.034 0.000 0.988 486 E CA 1.460 57.845 56.400 -0.026 0.000 0.799 486 E CB -0.082 29.603 29.700 -0.025 0.000 0.755 486 E HN 0.299 nan 8.360 nan 0.000 0.447 487 M N 0.136 119.714 119.600 -0.037 0.000 2.132 487 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 487 M C 2.449 178.713 176.300 -0.060 0.000 1.065 487 M CA 1.243 56.516 55.300 -0.045 0.000 1.122 487 M CB -0.125 32.449 32.600 -0.044 0.000 1.365 487 M HN 0.198 nan 8.290 nan 0.000 0.411 488 A N 0.523 123.319 122.820 -0.040 0.000 1.978 488 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 488 A C 2.327 179.859 177.584 -0.086 0.000 1.170 488 A CA 2.019 54.045 52.037 -0.019 0.000 0.636 488 A CB -0.834 18.190 19.000 0.040 0.000 0.810 488 A HN 0.518 nan 8.150 nan 0.000 0.448 489 A N -0.519 122.261 122.820 -0.066 0.000 1.898 489 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 489 A C 1.948 179.463 177.584 -0.116 0.000 1.181 489 A CA 1.464 53.456 52.037 -0.075 0.000 0.620 489 A CB -0.394 18.581 19.000 -0.041 0.000 0.819 489 A HN 0.477 nan 8.150 nan 0.000 0.442 490 E N 0.091 120.230 120.200 -0.102 0.000 2.110 490 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 490 E C 2.034 178.550 176.600 -0.140 0.000 0.988 490 E CA 0.998 57.342 56.400 -0.094 0.000 0.804 490 E CB -0.366 29.297 29.700 -0.061 0.000 0.745 490 E HN 0.668 nan 8.360 nan 0.000 0.458 491 L N 0.721 121.806 121.223 -0.230 0.000 2.056 491 L HA -0.127 4.212 4.340 -0.000 0.000 0.207 491 L C 2.703 179.169 176.870 -0.672 0.000 1.078 491 L CA 1.075 55.696 54.840 -0.366 0.000 0.749 491 L CB -0.316 41.461 42.059 -0.470 0.000 0.901 491 L HN 0.032 nan 8.230 nan 0.000 0.433 492 K N 0.443 120.336 120.400 -0.846 0.000 2.148 492 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 492 K C 2.012 178.481 176.600 -0.217 0.000 1.050 492 K CA 1.178 57.078 56.287 -0.644 0.000 0.942 492 K CB -0.019 32.319 32.500 -0.270 0.000 0.724 492 K HN 0.275 nan 8.250 nan 0.000 0.446 493 A N 0.628 123.349 122.820 -0.165 0.000 2.121 493 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 493 A C 1.816 179.354 177.584 -0.078 0.000 1.154 493 A CA 0.934 52.919 52.037 -0.086 0.000 0.679 493 A CB -0.150 18.807 19.000 -0.071 0.000 0.795 493 A HN 0.287 nan 8.150 nan 0.000 0.458 494 L N -3.549 117.619 121.223 -0.092 0.000 2.362 494 L HA 0.121 4.460 4.340 -0.000 0.000 0.204 494 L C 2.043 178.814 176.870 -0.165 0.000 1.060 494 L CA 0.613 55.379 54.840 -0.124 0.000 0.827 494 L CB -0.058 41.926 42.059 -0.125 0.000 1.027 494 L HN 0.396 nan 8.230 nan 0.000 0.474 495 Y N -1.033 119.216 120.300 -0.085 0.000 2.509 495 Y HA 0.060 4.609 4.550 -0.000 0.000 0.270 495 Y C 1.960 177.926 175.900 0.109 0.000 1.103 495 Y CA 0.471 58.599 58.100 0.046 0.000 1.278 495 Y CB 0.590 39.148 38.460 0.163 0.000 1.087 495 Y HN 0.062 nan 8.280 nan 0.000 0.542 496 S N -1.037 114.790 115.700 0.212 0.000 1.906 496 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 496 S C -0.095 174.682 174.600 0.294 0.000 1.003 496 S CA 1.769 60.084 58.200 0.191 0.000 1.559 496 S CB -1.092 62.176 63.200 0.115 0.000 2.023 496 S HN 0.552 nan 8.310 nan 0.000 0.555 497 D N -0.426 120.190 120.400 0.361 0.000 2.780 497 D HA 0.552 5.191 4.640 -0.000 0.000 0.242 497 D C 0.572 176.986 176.300 0.191 0.000 1.135 497 D CA -0.561 53.589 54.000 0.250 0.000 0.859 497 D CB 1.464 42.349 40.800 0.140 0.000 1.530 497 D HN 0.049 nan 8.370 nan 0.000 0.493 498 I N 2.433 122.879 120.570 -0.207 0.000 2.454 498 I HA -0.158 4.011 4.170 -0.000 0.000 0.254 498 I C 1.079 177.049 176.117 -0.245 0.000 1.156 498 I CA 1.454 62.355 61.300 -0.665 0.000 1.433 498 I CB 0.029 37.608 38.000 -0.703 0.000 1.082 498 I HN 0.339 nan 8.210 nan 0.000 0.432 499 D N -0.290 120.058 120.400 -0.086 0.000 2.363 499 D HA 0.013 4.652 4.640 -0.000 0.000 0.226 499 D C 1.726 178.049 176.300 0.038 0.000 1.020 499 D CA 1.102 55.089 54.000 -0.022 0.000 0.892 499 D CB 0.191 40.983 40.800 -0.012 0.000 0.900 499 D HN 0.453 nan 8.370 nan 0.000 0.531 500 V N -2.455 117.515 119.914 0.093 0.000 3.380 500 V HA 0.298 4.418 4.120 -0.000 0.000 0.307 500 V C 0.488 176.723 176.094 0.235 0.000 1.434 500 V CA -0.591 61.816 62.300 0.179 0.000 1.075 500 V CB -0.102 31.854 31.823 0.223 0.000 0.954 500 V HN -0.151 nan 8.190 nan 0.000 0.444 501 M N 2.670 122.302 119.600 0.055 0.000 2.252 501 M HA 0.296 4.776 4.480 -0.000 0.000 0.348 501 M C 0.274 176.560 176.300 -0.024 0.000 1.334 501 M CA 0.439 55.618 55.300 -0.202 0.000 1.071 501 M CB -0.199 32.286 32.600 -0.192 0.000 1.763 501 M HN 0.506 nan 8.290 nan 0.000 0.452 502 E N 3.283 123.486 120.200 0.004 0.000 2.374 502 E HA 0.072 4.422 4.350 -0.000 0.000 0.260 502 E C 0.582 177.239 176.600 0.096 0.000 1.101 502 E CA -0.458 56.031 56.400 0.148 0.000 0.907 502 E CB 0.775 30.619 29.700 0.239 0.000 1.014 502 E HN 0.795 nan 8.360 nan 0.000 0.427 503 L N 2.248 123.553 121.223 0.137 0.000 2.044 503 L HA -0.168 4.171 4.340 -0.000 0.000 0.205 503 L C 2.073 178.983 176.870 0.067 0.000 1.075 503 L CA 1.700 56.586 54.840 0.077 0.000 0.747 503 L CB -0.530 41.518 42.059 -0.017 0.000 0.903 503 L HN 0.676 nan 8.230 nan 0.000 0.435 504 Y N 1.139 121.430 120.300 -0.015 0.000 2.133 504 Y HA -0.056 4.493 4.550 -0.000 0.000 0.287 504 Y C -0.651 175.255 175.900 0.010 0.000 1.134 504 Y CA 1.603 59.685 58.100 -0.030 0.000 1.133 504 Y CB -1.731 36.682 38.460 -0.078 0.000 0.987 504 Y HN 0.241 nan 8.280 nan 0.000 0.502 505 P HA -0.087 nan 4.420 nan 0.000 0.221 505 P C 1.323 178.519 177.300 -0.173 0.000 1.150 505 P CA 2.070 65.055 63.100 -0.192 0.000 0.800 505 P CB -0.289 31.424 31.700 0.023 0.000 0.787 506 A N -0.307 122.445 122.820 -0.113 0.000 1.933 506 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 506 A C 2.140 179.668 177.584 -0.093 0.000 1.175 506 A CA 1.324 53.308 52.037 -0.087 0.000 0.628 506 A CB -1.627 17.351 19.000 -0.036 0.000 0.814 506 A HN 0.131 nan 8.150 nan 0.000 0.444 507 L N -0.676 120.476 121.223 -0.117 0.000 2.141 507 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 507 L C 2.247 179.047 176.870 -0.117 0.000 1.094 507 L CA 0.852 55.632 54.840 -0.100 0.000 0.763 507 L CB -0.389 41.616 42.059 -0.090 0.000 0.908 507 L HN 0.358 nan 8.230 nan 0.000 0.437 508 L N -0.684 120.423 121.223 -0.194 0.000 2.418 508 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 508 L C 2.071 178.876 176.870 -0.108 0.000 1.125 508 L CA 0.380 55.127 54.840 -0.155 0.000 0.835 508 L CB -0.186 41.740 42.059 -0.221 0.000 0.953 508 L HN 0.245 nan 8.230 nan 0.000 0.454 509 V N -4.200 115.649 119.914 -0.108 0.000 3.660 509 V HA 0.141 4.261 4.120 -0.000 0.000 0.276 509 V C 0.945 176.984 176.094 -0.092 0.000 1.317 509 V CA -0.316 61.931 62.300 -0.089 0.000 1.097 509 V CB -0.185 31.590 31.823 -0.080 0.000 0.863 509 V HN 0.247 nan 8.190 nan 0.000 0.438 510 E N 2.368 122.515 120.200 -0.089 0.000 2.442 510 E HA 0.024 4.374 4.350 -0.000 0.000 0.262 510 E C 0.335 176.888 176.600 -0.079 0.000 1.004 510 E CA -0.253 56.093 56.400 -0.090 0.000 0.928 510 E CB 0.468 30.146 29.700 -0.037 0.000 0.937 510 E HN 0.469 nan 8.360 nan 0.000 0.446 511 K N 5.387 125.733 120.400 -0.091 0.000 2.437 511 K HA 0.036 4.356 4.320 -0.000 0.000 0.277 511 K C -2.289 174.286 176.600 -0.042 0.000 1.073 511 K CA -1.084 55.165 56.287 -0.063 0.000 1.105 511 K CB 0.261 32.730 32.500 -0.053 0.000 0.881 511 K HN 0.260 nan 8.250 nan 0.000 0.475 512 P HA 0.193 nan 4.420 nan 0.000 0.276 512 P C -0.754 176.511 177.300 -0.058 0.000 1.244 512 P CA -0.530 62.530 63.100 -0.067 0.000 0.801 512 P CB 0.600 32.240 31.700 -0.100 0.000 1.006 513 R N 2.108 122.558 120.500 -0.084 0.000 2.784 513 R HA 0.181 4.521 4.340 -0.000 0.000 0.266 513 R C -1.926 174.363 176.300 -0.019 0.000 1.044 513 R CA -1.068 54.985 56.100 -0.077 0.000 1.151 513 R CB -1.414 28.739 30.300 -0.244 0.000 1.037 513 R HN 0.399 nan 8.270 nan 0.000 0.478 514 P HA -0.066 nan 4.420 nan 0.000 0.258 514 P C -0.898 176.405 177.300 0.005 0.000 1.187 514 P CA 0.689 63.817 63.100 0.047 0.000 0.767 514 P CB 0.293 32.063 31.700 0.117 0.000 0.770 515 D N -0.027 120.349 120.400 -0.041 0.000 2.911 515 D HA -0.209 4.431 4.640 -0.000 0.000 0.227 515 D C 0.219 176.444 176.300 -0.125 0.000 1.164 515 D CA 1.547 55.498 54.000 -0.082 0.000 0.782 515 D CB -1.288 39.468 40.800 -0.073 0.000 1.094 515 D HN 0.478 nan 8.370 nan 0.000 0.425 516 A N -0.230 122.510 122.820 -0.133 0.000 2.311 516 A HA 0.701 5.021 4.320 -0.000 0.000 0.334 516 A C 1.252 178.654 177.584 -0.302 0.000 1.139 516 A CA -0.464 51.452 52.037 -0.201 0.000 0.830 516 A CB 1.191 20.111 19.000 -0.134 0.000 1.234 516 A HN 0.118 nan 8.150 nan 0.000 0.483 517 I N -0.531 119.743 120.570 -0.493 0.000 2.439 517 I HA 0.080 4.250 4.170 -0.000 0.000 0.251 517 I C -0.464 175.213 176.117 -0.733 0.000 1.139 517 I CA 0.892 61.753 61.300 -0.731 0.000 1.438 517 I CB -0.080 37.256 38.000 -1.107 0.000 1.085 517 I HN 0.507 nan 8.210 nan 0.000 0.427 518 F N -0.220 119.563 119.950 -0.278 0.000 2.575 518 F HA 0.628 5.155 4.527 -0.000 0.000 0.330 518 F C 0.873 176.558 175.800 -0.192 0.000 1.056 518 F CA -0.895 56.951 58.000 -0.256 0.000 0.964 518 F CB 0.511 39.347 39.000 -0.273 0.000 1.258 518 F HN -0.214 nan 8.300 nan 0.000 0.484 519 G N -0.442 108.402 108.800 0.074 0.000 2.532 519 G HA2 0.239 4.199 3.960 -0.000 0.000 0.291 519 G HA3 0.239 4.199 3.960 -0.000 0.000 0.291 519 G C 0.561 175.459 174.900 -0.003 0.000 1.349 519 G CA -0.318 44.787 45.100 0.007 0.000 1.038 519 G HN 0.715 nan 8.290 nan 0.000 0.518 520 E N -1.211 118.993 120.200 0.005 0.000 2.051 520 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 520 E C 2.430 179.015 176.600 -0.025 0.000 0.991 520 E CA 1.768 58.162 56.400 -0.010 0.000 0.799 520 E CB -0.179 29.530 29.700 0.016 0.000 0.748 520 E HN 0.457 nan 8.360 nan 0.000 0.449 521 T N 1.129 115.681 114.554 -0.005 0.000 2.708 521 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 521 T C 1.770 176.408 174.700 -0.103 0.000 1.037 521 T CA 1.609 63.682 62.100 -0.044 0.000 1.146 521 T CB -0.286 68.588 68.868 0.009 0.000 0.865 521 T HN 0.173 nan 8.240 nan 0.000 0.435 522 M N 1.351 120.890 119.600 -0.101 0.000 2.073 522 M HA -0.095 4.384 4.480 -0.000 0.000 0.258 522 M C 2.140 178.328 176.300 -0.188 0.000 1.070 522 M CA 1.577 56.768 55.300 -0.181 0.000 1.103 522 M CB -0.728 31.685 32.600 -0.311 0.000 1.321 522 M HN 0.073 nan 8.290 nan 0.000 0.405 523 V N 0.321 120.155 119.914 -0.133 0.000 2.307 523 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 523 V C 2.308 178.366 176.094 -0.061 0.000 1.045 523 V CA 1.897 64.158 62.300 -0.065 0.000 1.024 523 V CB -0.936 30.892 31.823 0.008 0.000 0.651 523 V HN 0.453 nan 8.190 nan 0.000 0.449 524 E N -0.387 119.761 120.200 -0.088 0.000 2.347 524 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 524 E C 1.888 178.319 176.600 -0.281 0.000 1.008 524 E CA 0.696 57.035 56.400 -0.101 0.000 0.852 524 E CB 0.058 29.727 29.700 -0.051 0.000 0.783 524 E HN 0.413 nan 8.360 nan 0.000 0.505 525 L N -0.579 120.393 121.223 -0.419 0.000 2.286 525 L HA 0.151 4.491 4.340 -0.000 0.000 0.203 525 L C 2.302 178.973 176.870 -0.332 0.000 1.068 525 L CA 1.303 55.674 54.840 -0.782 0.000 0.811 525 L CB -0.827 40.840 42.059 -0.655 0.000 0.989 525 L HN 0.097 nan 8.230 nan 0.000 0.467 526 G N -0.697 108.075 108.800 -0.047 0.000 2.421 526 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 526 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 526 G C 1.702 176.687 174.900 0.142 0.000 1.171 526 G CA 0.863 46.088 45.100 0.209 0.000 0.775 526 G HN 0.433 nan 8.290 nan 0.000 0.543 527 A N 1.740 124.591 122.820 0.052 0.000 1.883 527 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 527 A C 0.973 178.562 177.584 0.008 0.000 1.186 527 A CA 2.199 54.279 52.037 0.071 0.000 0.624 527 A CB -1.195 17.849 19.000 0.073 0.000 0.822 527 A HN 0.430 nan 8.150 nan 0.000 0.444 528 P HA -0.123 nan 4.420 nan 0.000 0.216 528 P C 1.146 178.344 177.300 -0.170 0.000 1.153 528 P CA 0.935 63.950 63.100 -0.141 0.000 0.848 528 P CB -0.286 31.294 31.700 -0.199 0.000 0.787 529 F N 0.956 120.757 119.950 -0.249 0.000 2.171 529 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 529 F C 2.585 178.014 175.800 -0.618 0.000 1.090 529 F CA 1.231 58.862 58.000 -0.615 0.000 1.293 529 F CB -1.556 36.637 39.000 -1.344 0.000 1.013 529 F HN -0.068 nan 8.300 nan 0.000 0.486 530 S N 0.538 116.148 115.700 -0.150 0.000 2.335 530 S HA -0.142 4.328 4.470 -0.000 0.000 0.216 530 S C 2.235 176.909 174.600 0.123 0.000 1.032 530 S CA 1.201 59.478 58.200 0.129 0.000 1.000 530 S CB -0.820 62.589 63.200 0.349 0.000 0.928 530 S HN 0.264 nan 8.310 nan 0.000 0.434 531 L N 1.129 122.421 121.223 0.115 0.000 2.079 531 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 531 L C 2.568 179.533 176.870 0.158 0.000 1.081 531 L CA 1.208 56.124 54.840 0.126 0.000 0.752 531 L CB -0.499 41.621 42.059 0.101 0.000 0.896 531 L HN 0.210 nan 8.230 nan 0.000 0.433 532 K N 0.778 121.260 120.400 0.137 0.000 2.026 532 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 532 K C 1.980 178.659 176.600 0.132 0.000 1.048 532 K CA 1.602 57.994 56.287 0.175 0.000 0.929 532 K CB -0.867 31.671 32.500 0.062 0.000 0.713 532 K HN 0.232 nan 8.250 nan 0.000 0.439 533 G N 0.283 109.107 108.800 0.041 0.000 2.422 533 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 533 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 533 G C 1.496 176.435 174.900 0.064 0.000 1.146 533 G CA 1.046 46.136 45.100 -0.017 0.000 0.769 533 G HN 0.283 nan 8.290 nan 0.000 0.547 534 L N -0.241 121.056 121.223 0.124 0.000 2.034 534 L HA 0.076 4.415 4.340 -0.000 0.000 0.203 534 L C 2.947 179.929 176.870 0.187 0.000 1.074 534 L CA 0.601 55.523 54.840 0.137 0.000 0.748 534 L CB -0.303 41.824 42.059 0.112 0.000 0.905 534 L HN 0.070 nan 8.230 nan 0.000 0.439 535 M N -0.240 119.500 119.600 0.233 0.000 2.319 535 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 535 M C 2.170 178.802 176.300 0.553 0.000 1.068 535 M CA 1.222 56.690 55.300 0.280 0.000 1.118 535 M CB -1.640 30.954 32.600 -0.010 0.000 1.395 535 M HN 0.286 nan 8.290 nan 0.000 0.435 536 G N 0.607 109.728 108.800 0.534 0.000 2.776 536 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.209 536 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.209 536 G C 0.777 175.877 174.900 0.333 0.000 1.145 536 G CA -0.125 45.227 45.100 0.421 0.000 0.791 536 G HN 0.411 nan 8.290 nan 0.000 0.530 537 N N 1.035 119.907 118.700 0.287 0.000 2.492 537 N HA 0.061 4.801 4.740 -0.000 0.000 0.262 537 N C -1.134 174.465 175.510 0.149 0.000 1.202 537 N CA -1.319 51.841 53.050 0.183 0.000 0.926 537 N CB 1.998 40.586 38.487 0.169 0.000 1.078 537 N HN -0.059 nan 8.380 nan 0.000 0.454 538 P HA -0.124 nan 4.420 nan 0.000 0.222 538 P C 1.412 178.464 177.300 -0.415 0.000 1.147 538 P CA 1.044 63.977 63.100 -0.278 0.000 0.790 538 P CB -0.094 31.321 31.700 -0.474 0.000 0.780 539 I N -3.592 116.919 120.570 -0.099 0.000 3.001 539 I HA -0.052 4.118 4.170 -0.000 0.000 0.268 539 I C 1.525 177.931 176.117 0.481 0.000 1.267 539 I CA 1.112 62.579 61.300 0.279 0.000 1.472 539 I CB -1.036 37.289 38.000 0.543 0.000 1.089 539 I HN -0.184 nan 8.210 nan 0.000 0.468 540 C N 1.346 120.792 119.300 0.244 0.000 2.696 540 C HA 0.214 4.673 4.460 -0.000 0.000 0.264 540 C C 1.713 176.725 174.990 0.037 0.000 1.288 540 C CA 0.152 59.253 59.018 0.139 0.000 1.717 540 C CB -1.736 26.131 27.740 0.212 0.000 1.893 540 C HN 0.694 nan 8.230 nan 0.000 0.577 541 S N 1.895 117.440 115.700 -0.258 0.000 2.585 541 S HA 0.201 4.670 4.470 -0.000 0.000 0.273 541 S C -1.685 172.862 174.600 -0.088 0.000 1.339 541 S CA -0.590 57.226 58.200 -0.641 0.000 1.028 541 S CB 0.690 63.507 63.200 -0.639 0.000 0.906 541 S HN 0.071 nan 8.310 nan 0.000 0.528 542 P HA -0.121 nan 4.420 nan 0.000 0.217 542 P C 1.392 178.614 177.300 -0.130 0.000 1.148 542 P CA 1.165 63.937 63.100 -0.548 0.000 0.828 542 P CB 0.046 31.311 31.700 -0.726 0.000 0.783 543 Q N -2.589 117.190 119.800 -0.035 0.000 2.435 543 Q HA -0.038 4.302 4.340 -0.000 0.000 0.207 543 Q C 1.419 177.402 176.000 -0.027 0.000 0.956 543 Q CA 1.096 56.887 55.803 -0.020 0.000 0.917 543 Q CB -0.243 28.485 28.738 -0.016 0.000 0.997 543 Q HN 0.447 nan 8.270 nan 0.000 0.497 544 Y N -2.002 118.299 120.300 0.001 0.000 2.522 544 Y HA 0.039 4.589 4.550 -0.000 0.000 0.277 544 Y C 1.011 177.000 175.900 0.148 0.000 1.104 544 Y CA -0.339 57.777 58.100 0.025 0.000 1.260 544 Y CB 0.290 38.809 38.460 0.099 0.000 1.151 544 Y HN 0.171 nan 8.280 nan 0.000 0.539 545 W N 4.202 125.652 121.300 0.250 0.000 1.371 545 W HA 0.218 4.878 4.660 -0.000 0.000 0.482 545 W C -0.867 175.729 176.519 0.128 0.000 0.640 545 W CA 0.347 57.908 57.345 0.361 0.000 2.164 545 W CB -0.610 29.160 29.460 0.517 0.000 1.613 545 W HN -0.029 nan 8.180 nan 0.000 0.212 546 K N 2.407 122.629 120.400 -0.298 0.000 2.469 546 K HA 0.240 4.560 4.320 -0.000 0.000 0.254 546 K C -1.941 174.177 176.600 -0.803 0.000 0.939 546 K CA -1.734 54.244 56.287 -0.514 0.000 0.812 546 K CB 2.215 34.547 32.500 -0.280 0.000 1.301 546 K HN -0.226 nan 8.250 nan 0.000 0.433 547 P HA -0.237 nan 4.420 nan 0.000 0.216 547 P C 1.113 178.298 177.300 -0.192 0.000 1.150 547 P CA 1.457 64.263 63.100 -0.490 0.000 0.837 547 P CB 0.170 31.739 31.700 -0.217 0.000 0.786 548 S N -1.686 113.889 115.700 -0.209 0.000 2.399 548 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 548 S C 1.848 176.321 174.600 -0.211 0.000 1.022 548 S CA 1.887 60.009 58.200 -0.131 0.000 0.983 548 S CB -2.063 61.063 63.200 -0.123 0.000 0.803 548 S HN 0.133 nan 8.310 nan 0.000 0.480 549 T N 1.525 115.803 114.554 -0.459 0.000 2.803 549 T HA -0.007 4.343 4.350 -0.000 0.000 0.269 549 T C 0.609 174.898 174.700 -0.685 0.000 1.052 549 T CA 1.275 62.939 62.100 -0.726 0.000 1.136 549 T CB -0.504 67.659 68.868 -1.175 0.000 0.864 549 T HN 0.638 nan 8.240 nan 0.000 0.467 550 F N -0.007 119.961 119.950 0.029 0.000 2.708 550 F HA 0.507 5.034 4.527 -0.000 0.000 0.300 550 F C 1.541 177.454 175.800 0.189 0.000 1.118 550 F CA -0.546 57.529 58.000 0.124 0.000 1.307 550 F CB 0.215 39.311 39.000 0.160 0.000 0.986 550 F HN 0.168 nan 8.300 nan 0.000 0.522 551 G N 0.318 109.305 108.800 0.311 0.000 2.137 551 G HA2 0.150 4.110 3.960 -0.000 0.000 0.237 551 G HA3 0.150 4.110 3.960 -0.000 0.000 0.237 551 G C 0.544 175.642 174.900 0.330 0.000 1.002 551 G CA -0.013 45.318 45.100 0.385 0.000 0.702 551 G HN 1.238 nan 8.290 nan 0.000 0.515 552 G N -1.414 107.514 108.800 0.212 0.000 2.422 552 G HA2 0.218 4.177 3.960 -0.000 0.000 0.607 552 G HA3 0.218 4.177 3.960 -0.000 0.000 0.607 552 G C 0.362 175.353 174.900 0.151 0.000 1.270 552 G CA 0.516 45.700 45.100 0.139 0.000 0.992 552 G HN 0.470 nan 8.290 nan 0.000 0.499 553 E N -0.631 119.639 120.200 0.116 0.000 2.150 553 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 553 E C 2.821 179.514 176.600 0.156 0.000 0.985 553 E CA 1.449 57.943 56.400 0.158 0.000 0.814 553 E CB -0.186 29.577 29.700 0.104 0.000 0.752 553 E HN 0.387 nan 8.360 nan 0.000 0.466 554 V N 0.790 120.766 119.914 0.104 0.000 2.307 554 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 554 V C 2.417 178.580 176.094 0.115 0.000 1.045 554 V CA 1.970 64.317 62.300 0.079 0.000 1.024 554 V CB -0.964 30.878 31.823 0.031 0.000 0.651 554 V HN 0.316 nan 8.190 nan 0.000 0.449 555 G N -1.065 107.839 108.800 0.174 0.000 2.422 555 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 555 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 555 G C 1.537 176.572 174.900 0.226 0.000 1.146 555 G CA 0.764 45.998 45.100 0.223 0.000 0.769 555 G HN 0.435 nan 8.290 nan 0.000 0.547 556 F N 1.227 121.201 119.950 0.040 0.000 2.186 556 F HA 0.166 4.693 4.527 -0.000 0.000 0.299 556 F C 2.477 178.211 175.800 -0.110 0.000 1.090 556 F CA 1.081 59.016 58.000 -0.109 0.000 1.307 556 F CB -0.180 38.788 39.000 -0.054 0.000 1.019 556 F HN 0.070 nan 8.300 nan 0.000 0.489 557 K N 0.178 120.581 120.400 0.005 0.000 2.148 557 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 557 K C 2.146 178.716 176.600 -0.050 0.000 1.050 557 K CA 1.411 57.657 56.287 -0.069 0.000 0.942 557 K CB -0.222 32.276 32.500 -0.004 0.000 0.724 557 K HN 0.284 nan 8.250 nan 0.000 0.446 558 I N 0.775 121.345 120.570 -0.000 0.000 2.226 558 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 558 I C 2.084 178.214 176.117 0.022 0.000 1.100 558 I CA 1.199 62.514 61.300 0.024 0.000 1.374 558 I CB -0.211 37.825 38.000 0.060 0.000 1.057 558 I HN 0.159 nan 8.210 nan 0.000 0.413 559 I N 0.800 121.356 120.570 -0.025 0.000 2.142 559 I HA -0.289 3.880 4.170 -0.000 0.000 0.240 559 I C 1.939 178.093 176.117 0.060 0.000 1.078 559 I CA 1.397 62.708 61.300 0.020 0.000 1.343 559 I CB -0.478 37.480 38.000 -0.069 0.000 1.046 559 I HN 0.292 nan 8.210 nan 0.000 0.405 560 N N 0.225 118.879 118.700 -0.078 0.000 2.550 560 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 560 N C 1.359 176.871 175.510 0.004 0.000 1.110 560 N CA 1.512 54.534 53.050 -0.046 0.000 0.912 560 N CB -0.132 38.209 38.487 -0.243 0.000 0.968 560 N HN 0.484 nan 8.380 nan 0.000 0.448 561 T N -3.390 111.168 114.554 0.006 0.000 3.132 561 T HA 0.498 4.848 4.350 -0.000 0.000 0.274 561 T C 0.545 175.265 174.700 0.033 0.000 1.011 561 T CA -0.575 61.534 62.100 0.015 0.000 0.899 561 T CB 0.300 69.167 68.868 -0.001 0.000 1.089 561 T HN 0.077 nan 8.240 nan 0.000 0.543 562 A N 1.891 124.748 122.820 0.061 0.000 2.445 562 A HA 0.691 5.010 4.320 -0.000 0.000 0.242 562 A C 0.584 178.206 177.584 0.063 0.000 1.075 562 A CA -0.142 51.939 52.037 0.074 0.000 0.777 562 A CB 0.141 19.215 19.000 0.124 0.000 1.013 562 A HN 1.087 nan 8.150 nan 0.000 0.493 563 S N 0.788 116.511 115.700 0.037 0.000 2.588 563 S HA 0.412 4.882 4.470 -0.000 0.000 0.269 563 S C 0.346 174.927 174.600 -0.032 0.000 1.157 563 S CA -0.055 58.148 58.200 0.006 0.000 0.824 563 S CB 0.458 63.646 63.200 -0.020 0.000 1.126 563 S HN 1.171 nan 8.310 nan 0.000 0.464 564 I N 1.178 121.687 120.570 -0.101 0.000 2.286 564 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 564 I C 2.411 178.437 176.117 -0.152 0.000 1.115 564 I CA 2.044 63.232 61.300 -0.186 0.000 1.392 564 I CB -0.487 37.178 38.000 -0.557 0.000 1.065 564 I HN 0.894 nan 8.210 nan 0.000 0.418 565 Q N 0.605 120.325 119.800 -0.133 0.000 2.046 565 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 565 Q C 2.450 178.421 176.000 -0.048 0.000 0.975 565 Q CA 2.603 58.359 55.803 -0.078 0.000 0.836 565 Q CB -0.653 28.048 28.738 -0.062 0.000 0.896 565 Q HN 0.681 nan 8.270 nan 0.000 0.428 566 S N 0.083 115.757 115.700 -0.044 0.000 2.370 566 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 566 S C 1.919 176.482 174.600 -0.062 0.000 1.033 566 S CA 1.255 59.434 58.200 -0.035 0.000 1.011 566 S CB -0.861 62.327 63.200 -0.020 0.000 0.852 566 S HN 0.415 nan 8.310 nan 0.000 0.457 567 L N 0.966 122.134 121.223 -0.090 0.000 2.013 567 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 567 L C 2.181 178.952 176.870 -0.166 0.000 1.073 567 L CA 1.692 56.431 54.840 -0.170 0.000 0.753 567 L CB -0.735 41.177 42.059 -0.245 0.000 0.890 567 L HN 0.268 nan 8.230 nan 0.000 0.432 568 I N -1.202 119.297 120.570 -0.119 0.000 2.233 568 I HA -0.259 3.910 4.170 -0.000 0.000 0.243 568 I C 2.740 178.807 176.117 -0.083 0.000 1.093 568 I CA 1.444 62.682 61.300 -0.104 0.000 1.380 568 I CB -0.971 36.988 38.000 -0.069 0.000 1.067 568 I HN 0.499 nan 8.210 nan 0.000 0.413 569 c N 1.056 119.625 118.600 -0.052 0.000 2.413 569 c HA -0.173 4.397 4.570 -0.000 0.000 0.276 569 c C 2.710 176.769 174.090 -0.051 0.000 1.248 569 c CA 1.228 57.537 56.329 -0.033 0.000 1.742 569 c CB -1.322 41.189 42.510 0.002 0.000 2.017 569 c HN 0.518 nan 8.230 nan 0.000 0.481 570 N N 1.040 119.704 118.700 -0.059 0.000 2.396 570 N HA -0.013 4.726 4.740 -0.000 0.000 0.180 570 N C 0.989 176.450 175.510 -0.081 0.000 1.028 570 N CA 0.988 54.002 53.050 -0.060 0.000 0.893 570 N CB -0.384 38.072 38.487 -0.052 0.000 0.967 570 N HN 0.667 nan 8.380 nan 0.000 0.440 571 N N -0.496 118.140 118.700 -0.107 0.000 2.159 571 N HA 0.103 4.843 4.740 -0.000 0.000 0.217 571 N C -0.710 174.710 175.510 -0.149 0.000 1.223 571 N CA 0.118 53.089 53.050 -0.132 0.000 0.896 571 N CB 2.005 40.398 38.487 -0.157 0.000 1.064 571 N HN -0.113 nan 8.380 nan 0.000 0.518 572 V N 1.692 121.528 119.914 -0.129 0.000 2.444 572 V HA 0.222 4.341 4.120 -0.000 0.000 0.294 572 V C 0.343 176.373 176.094 -0.106 0.000 1.022 572 V CA -1.185 61.038 62.300 -0.129 0.000 0.850 572 V CB 2.398 34.148 31.823 -0.122 0.000 0.992 572 V HN -0.016 nan 8.190 nan 0.000 0.426 573 K N 3.092 123.428 120.400 -0.105 0.000 2.530 573 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 573 K C 1.263 177.814 176.600 -0.081 0.000 1.004 573 K CA 1.487 57.722 56.287 -0.085 0.000 1.071 573 K CB 0.033 32.487 32.500 -0.077 0.000 0.876 573 K HN 1.190 nan 8.250 nan 0.000 0.487 574 G N 2.829 111.582 108.800 -0.079 0.000 2.176 574 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.253 574 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.253 574 G C 0.390 175.219 174.900 -0.119 0.000 0.979 574 G CA -0.107 44.937 45.100 -0.093 0.000 0.641 574 G HN 1.337 nan 8.290 nan 0.000 0.530 575 c N 1.197 119.737 118.600 -0.100 0.000 2.865 575 c HA -0.061 4.509 4.570 -0.000 0.000 0.254 575 c C -0.379 173.616 174.090 -0.158 0.000 1.239 575 c CA -0.104 56.171 56.329 -0.091 0.000 2.512 575 c CB -1.667 40.813 42.510 -0.051 0.000 1.556 575 c HN 0.771 nan 8.230 nan 0.000 0.433 576 P HA 0.324 nan 4.420 nan 0.000 0.272 576 P C -0.007 177.253 177.300 -0.066 0.000 1.223 576 P CA 0.088 63.069 63.100 -0.198 0.000 0.784 576 P CB 0.356 31.992 31.700 -0.106 0.000 0.923 577 F N 0.227 120.156 119.950 -0.035 0.000 2.429 577 F HA 0.462 4.989 4.527 -0.000 0.000 0.348 577 F C 1.516 177.290 175.800 -0.044 0.000 1.109 577 F CA 0.090 58.065 58.000 -0.041 0.000 1.232 577 F CB 0.285 39.264 39.000 -0.034 0.000 1.157 577 F HN 0.195 nan 8.300 nan 0.000 0.564 578 T N 1.102 115.740 114.554 0.139 0.000 2.853 578 T HA 0.703 5.053 4.350 -0.000 0.000 0.311 578 T C -0.947 173.699 174.700 -0.089 0.000 1.307 578 T CA -0.315 61.797 62.100 0.020 0.000 1.019 578 T CB 1.232 70.095 68.868 -0.008 0.000 1.264 578 T HN 0.900 nan 8.240 nan 0.000 0.497 579 S N 1.111 116.724 115.700 -0.144 0.000 2.703 579 S HA 0.578 5.047 4.470 -0.000 0.000 0.273 579 S C -0.690 173.738 174.600 -0.287 0.000 1.178 579 S CA -0.669 57.358 58.200 -0.289 0.000 0.838 579 S CB 0.370 63.473 63.200 -0.161 0.000 1.178 579 S HN 0.421 nan 8.310 nan 0.000 0.494 580 F N 2.491 122.368 119.950 -0.121 0.000 2.765 580 F HA 0.364 4.891 4.527 -0.000 0.000 0.302 580 F C 1.148 176.664 175.800 -0.474 0.000 1.111 580 F CA -0.432 57.432 58.000 -0.227 0.000 1.359 580 F CB -0.221 38.615 39.000 -0.274 0.000 1.097 580 F HN 0.706 nan 8.300 nan 0.000 0.577 581 N N 0.088 118.688 118.700 -0.167 0.000 2.381 581 N HA 0.379 5.119 4.740 -0.000 0.000 0.294 581 N C -0.913 174.596 175.510 -0.002 0.000 1.216 581 N CA -0.626 52.376 53.050 -0.081 0.000 0.803 581 N CB 2.381 40.874 38.487 0.011 0.000 1.372 581 N HN -0.131 nan 8.380 nan 0.000 0.500 582 V N -1.574 118.353 119.914 0.020 0.000 2.432 582 V HA 0.418 4.537 4.120 -0.000 0.000 0.271 582 V C 0.247 176.354 176.094 0.020 0.000 1.046 582 V CA -0.353 61.967 62.300 0.032 0.000 0.945 582 V CB 0.050 31.897 31.823 0.039 0.000 0.992 582 V HN 0.857 nan 8.190 nan 0.000 0.471 583 Q N 0.000 119.813 119.800 0.021 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 583 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 583 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481