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 5cox_1_D DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ 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 TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.636 177.584 0.087 0.000 1.274 33 A CA 0.000 52.078 52.037 0.069 0.000 0.836 33 A CB 0.000 19.049 19.000 0.083 0.000 0.831 34 N N 2.744 121.493 118.700 0.082 0.000 2.365 34 N HA 0.087 4.827 4.740 0.001 0.000 0.265 34 N C -0.870 174.681 175.510 0.068 0.000 1.288 34 N CA -0.394 52.707 53.050 0.085 0.000 0.869 34 N CB 0.829 39.355 38.487 0.066 0.000 1.071 34 N HN 0.240 nan 8.380 nan 0.000 0.480 35 P HA -0.171 nan 4.420 nan 0.000 0.218 35 P C 0.829 178.112 177.300 -0.029 0.000 1.146 35 P CA 1.070 64.234 63.100 0.108 0.000 0.813 35 P CB -0.056 31.792 31.700 0.247 0.000 0.778 36 c N -1.089 117.503 118.600 -0.013 0.000 2.437 36 c HA -0.057 4.514 4.570 0.001 0.000 0.283 36 c C 3.027 177.039 174.090 -0.129 0.000 1.424 36 c CA 0.169 56.428 56.329 -0.116 0.000 1.782 36 c CB -2.251 40.249 42.510 -0.017 0.000 1.833 36 c HN 0.358 nan 8.230 nan 0.000 0.532 37 c N 1.462 120.021 118.600 -0.069 0.000 2.369 37 c HA -0.187 4.383 4.570 0.001 0.000 0.273 37 c C 2.861 176.903 174.090 -0.081 0.000 1.172 37 c CA 2.266 58.562 56.329 -0.054 0.000 1.791 37 c CB -1.413 41.085 42.510 -0.020 0.000 2.086 37 c HN 0.808 nan 8.230 nan 0.000 0.459 38 S N 0.173 115.803 115.700 -0.116 0.000 2.720 38 S HA -0.001 4.470 4.470 0.001 0.000 0.222 38 S C 0.430 174.937 174.600 -0.155 0.000 0.958 38 S CA 0.487 58.615 58.200 -0.120 0.000 0.943 38 S CB -1.145 61.985 63.200 -0.116 0.000 0.779 38 S HN 0.764 nan 8.310 nan 0.000 0.526 39 N N 1.273 119.870 118.700 -0.172 0.000 2.716 39 N HA -0.122 4.619 4.740 0.001 0.000 0.250 39 N C -2.086 173.309 175.510 -0.191 0.000 1.033 39 N CA 0.657 53.606 53.050 -0.168 0.000 0.727 39 N CB -1.181 37.229 38.487 -0.129 0.000 0.950 39 N HN 0.476 nan 8.380 nan 0.000 0.541 40 P HA -0.107 nan 4.420 nan 0.000 0.216 40 P C 0.341 177.577 177.300 -0.106 0.000 1.153 40 P CA 0.996 63.924 63.100 -0.287 0.000 0.858 40 P CB 0.113 31.333 31.700 -0.801 0.000 0.789 41 c N 1.357 119.911 118.600 -0.076 0.000 2.663 41 c HA 0.207 4.778 4.570 0.001 0.000 0.379 41 c C 0.967 175.031 174.090 -0.045 0.000 1.255 41 c CA -0.483 55.850 56.329 0.007 0.000 1.503 41 c CB -2.431 40.111 42.510 0.055 0.000 2.187 41 c HN 0.244 nan 8.230 nan 0.000 0.580 42 Q N 1.822 121.591 119.800 -0.053 0.000 2.407 42 Q HA 0.223 4.563 4.340 0.001 0.000 0.214 42 Q C 0.956 176.866 176.000 -0.150 0.000 1.043 42 Q CA 0.372 56.107 55.803 -0.112 0.000 0.983 42 Q CB 0.317 28.979 28.738 -0.127 0.000 1.211 42 Q HN 0.631 nan 8.270 nan 0.000 0.564 43 N N 0.902 119.456 118.700 -0.242 0.000 2.725 43 N HA -0.271 4.470 4.740 0.001 0.000 0.249 43 N C -0.738 174.695 175.510 -0.127 0.000 1.103 43 N CA 1.260 54.123 53.050 -0.312 0.000 0.707 43 N CB -0.547 37.553 38.487 -0.646 0.000 1.043 43 N HN 0.708 nan 8.380 nan 0.000 0.553 44 R N -2.966 117.481 120.500 -0.088 0.000 3.936 44 R HA -0.155 4.186 4.340 0.001 0.000 0.366 44 R C 0.789 177.094 176.300 0.009 0.000 1.158 44 R CA 1.161 57.238 56.100 -0.038 0.000 0.969 44 R CB -1.555 28.739 30.300 -0.010 0.000 1.504 44 R HN 0.451 nan 8.270 nan 0.000 0.538 45 G N 0.035 108.842 108.800 0.012 0.000 2.616 45 G HA2 0.374 4.335 3.960 0.001 0.000 0.268 45 G HA3 0.374 4.335 3.960 0.001 0.000 0.268 45 G C -0.592 174.340 174.900 0.053 0.000 1.213 45 G CA -0.505 44.627 45.100 0.052 0.000 0.926 45 G HN 0.264 nan 8.290 nan 0.000 0.523 46 E N -1.000 119.250 120.200 0.082 0.000 2.158 46 E HA 0.285 4.635 4.350 0.001 0.000 0.271 46 E C -0.972 175.696 176.600 0.112 0.000 0.911 46 E CA -0.582 55.877 56.400 0.098 0.000 0.767 46 E CB 2.055 31.833 29.700 0.130 0.000 1.120 46 E HN 0.371 nan 8.360 nan 0.000 0.405 47 c N 4.910 123.570 118.600 0.101 0.000 2.435 47 c HA 0.609 5.180 4.570 0.001 0.000 0.375 47 c C -0.129 174.051 174.090 0.150 0.000 1.281 47 c CA -0.425 55.990 56.329 0.144 0.000 1.963 47 c CB -1.078 41.468 42.510 0.061 0.000 2.490 47 c HN 0.824 nan 8.230 nan 0.000 0.557 48 M N 5.501 125.208 119.600 0.177 0.000 2.327 48 M HA 0.558 5.038 4.480 0.001 0.000 0.298 48 M C -0.081 176.308 176.300 0.149 0.000 1.065 48 M CA -0.192 55.192 55.300 0.141 0.000 0.916 48 M CB 1.830 34.492 32.600 0.102 0.000 1.630 48 M HN 0.590 nan 8.290 nan 0.000 0.442 49 S N 1.487 117.260 115.700 0.123 0.000 2.562 49 S HA 0.459 4.930 4.470 0.001 0.000 0.281 49 S C 0.484 175.114 174.600 0.049 0.000 1.333 49 S CA 0.094 58.357 58.200 0.106 0.000 1.052 49 S CB 0.291 63.535 63.200 0.073 0.000 0.884 49 S HN 0.958 nan 8.310 nan 0.000 0.506 50 T N -2.424 112.151 114.554 0.034 0.000 3.633 50 T HA 0.618 4.969 4.350 0.001 0.000 0.278 50 T C 0.511 175.194 174.700 -0.028 0.000 0.991 50 T CA -0.153 61.941 62.100 -0.010 0.000 1.036 50 T CB -0.295 68.567 68.868 -0.011 0.000 1.148 50 T HN 1.859 nan 8.240 nan 0.000 0.501 51 G N 0.815 109.567 108.800 -0.079 0.000 2.414 51 G HA2 0.180 4.141 3.960 0.001 0.000 0.191 51 G HA3 0.180 4.141 3.960 0.001 0.000 0.191 51 G C 0.133 175.091 174.900 0.098 0.000 1.082 51 G CA -0.149 44.894 45.100 -0.096 0.000 0.785 51 G HN 0.494 nan 8.290 nan 0.000 0.484 52 F N -0.964 119.019 119.950 0.054 0.000 2.555 52 F HA -0.291 4.237 4.527 0.001 0.000 0.693 52 F C 1.672 177.509 175.800 0.062 0.000 0.487 52 F CA 2.358 60.390 58.000 0.053 0.000 0.748 52 F CB -1.335 37.690 39.000 0.042 0.000 1.624 52 F HN 0.350 nan 8.300 nan 0.000 0.266 53 D N -0.328 120.244 120.400 0.285 0.000 2.379 53 D HA 0.121 4.762 4.640 0.001 0.000 0.218 53 D C 0.635 177.039 176.300 0.174 0.000 1.006 53 D CA 0.730 54.843 54.000 0.187 0.000 0.893 53 D CB -0.000 40.884 40.800 0.140 0.000 1.019 53 D HN 0.323 nan 8.370 nan 0.000 0.503 54 Q N 0.067 119.954 119.800 0.144 0.000 2.214 54 Q HA 0.451 4.791 4.340 0.001 0.000 0.251 54 Q C -0.531 175.546 176.000 0.128 0.000 0.936 54 Q CA -0.640 55.221 55.803 0.097 0.000 0.894 54 Q CB 1.162 29.908 28.738 0.014 0.000 1.252 54 Q HN 0.183 nan 8.270 nan 0.000 0.448 55 Y N -2.168 118.154 120.300 0.037 0.000 2.665 55 Y HA 0.863 5.413 4.550 0.001 0.000 0.336 55 Y C -0.965 174.953 175.900 0.030 0.000 1.085 55 Y CA -1.275 56.844 58.100 0.032 0.000 1.096 55 Y CB 1.589 40.069 38.460 0.032 0.000 1.301 55 Y HN 0.310 nan 8.280 nan 0.000 0.493 56 K N 0.806 121.222 120.400 0.027 0.000 2.527 56 K HA 0.577 4.898 4.320 0.001 0.000 0.260 56 K C -2.137 174.547 176.600 0.139 0.000 0.937 56 K CA -0.467 55.793 56.287 -0.045 0.000 0.826 56 K CB 2.209 34.698 32.500 -0.018 0.000 1.359 56 K HN 0.976 nan 8.250 nan 0.000 0.434 57 c N 1.622 120.286 118.600 0.108 0.000 2.303 57 c HA 0.303 4.874 4.570 0.001 0.000 0.326 57 c C 0.051 174.202 174.090 0.101 0.000 1.285 57 c CA -0.802 55.612 56.329 0.143 0.000 1.675 57 c CB 0.481 43.090 42.510 0.166 0.000 2.289 57 c HN 0.618 nan 8.230 nan 0.000 0.512 58 D N 1.670 122.129 120.400 0.099 0.000 2.517 58 D HA 0.174 4.815 4.640 0.001 0.000 0.220 58 D C 0.616 176.971 176.300 0.092 0.000 1.158 58 D CA -0.174 53.877 54.000 0.086 0.000 0.992 58 D CB 0.156 41.005 40.800 0.082 0.000 1.058 58 D HN 0.655 nan 8.370 nan 0.000 0.516 59 c N 2.054 120.716 118.600 0.103 0.000 2.511 59 c HA 0.023 4.593 4.570 0.001 0.000 0.300 59 c C 0.857 175.019 174.090 0.120 0.000 1.393 59 c CA -0.217 56.188 56.329 0.127 0.000 1.637 59 c CB -2.098 40.511 42.510 0.165 0.000 1.637 59 c HN 0.428 nan 8.230 nan 0.000 0.595 60 T N 1.174 115.783 114.554 0.091 0.000 2.871 60 T HA 0.088 4.438 4.350 0.001 0.000 0.296 60 T C 0.956 175.703 174.700 0.078 0.000 0.998 60 T CA 0.238 62.383 62.100 0.075 0.000 1.162 60 T CB 0.063 68.965 68.868 0.057 0.000 0.947 60 T HN 0.603 nan 8.240 nan 0.000 0.536 61 R N 0.042 120.585 120.500 0.071 0.000 3.946 61 R HA -0.242 4.099 4.340 0.001 0.000 0.329 61 R C 1.824 178.179 176.300 0.092 0.000 1.209 61 R CA 1.209 57.349 56.100 0.067 0.000 0.909 61 R CB -2.170 28.162 30.300 0.052 0.000 1.355 61 R HN 0.968 nan 8.270 nan 0.000 0.539 62 T N -4.972 109.663 114.554 0.134 0.000 2.894 62 T HA 0.168 4.518 4.350 0.001 0.000 0.258 62 T C 1.488 176.346 174.700 0.263 0.000 1.043 62 T CA 1.183 63.406 62.100 0.203 0.000 1.141 62 T CB 0.449 69.463 68.868 0.243 0.000 0.873 62 T HN 0.746 nan 8.240 nan 0.000 0.449 63 G N 0.592 109.499 108.800 0.180 0.000 2.138 63 G HA2 -0.031 3.930 3.960 0.001 0.000 0.193 63 G HA3 -0.031 3.930 3.960 0.001 0.000 0.193 63 G C -0.208 174.525 174.900 -0.278 0.000 0.998 63 G CA -0.278 44.811 45.100 -0.018 0.000 0.668 63 G HN 0.558 nan 8.290 nan 0.000 0.516 64 F N -0.324 119.690 119.950 0.106 0.000 2.619 64 F HA 0.712 5.239 4.527 0.001 0.000 0.308 64 F C 0.146 176.059 175.800 0.188 0.000 1.097 64 F CA -1.330 56.729 58.000 0.098 0.000 0.953 64 F CB 1.368 40.375 39.000 0.013 0.000 1.287 64 F HN 0.241 nan 8.300 nan 0.000 0.446 65 Y N -0.165 120.245 120.300 0.183 0.000 2.805 65 Y HA 0.972 5.523 4.550 0.001 0.000 0.321 65 Y C 0.262 176.232 175.900 0.117 0.000 1.203 65 Y CA -1.907 56.265 58.100 0.121 0.000 1.165 65 Y CB 0.663 39.166 38.460 0.070 0.000 1.371 65 Y HN 1.070 nan 8.280 nan 0.000 0.564 66 G N 0.063 109.044 108.800 0.302 0.000 2.699 66 G HA2 -0.229 3.731 3.960 0.001 0.000 0.686 66 G HA3 -0.229 3.731 3.960 0.001 0.000 0.686 66 G C 0.339 175.301 174.900 0.104 0.000 1.301 66 G CA -0.027 45.158 45.100 0.142 0.000 0.816 66 G HN 1.186 nan 8.290 nan 0.000 0.595 67 E N -0.167 120.076 120.200 0.073 0.000 2.197 67 E HA -0.251 4.100 4.350 0.001 0.000 0.205 67 E C 1.395 178.058 176.600 0.105 0.000 1.029 67 E CA 1.927 58.362 56.400 0.059 0.000 0.828 67 E CB -0.065 29.658 29.700 0.038 0.000 0.737 67 E HN 0.414 nan 8.360 nan 0.000 0.464 68 N N -1.092 117.666 118.700 0.096 0.000 2.291 68 N HA 0.099 4.839 4.740 0.001 0.000 0.244 68 N C -0.760 174.780 175.510 0.050 0.000 1.216 68 N CA 0.417 53.526 53.050 0.099 0.000 0.879 68 N CB 0.521 39.053 38.487 0.075 0.000 1.167 68 N HN 0.143 nan 8.380 nan 0.000 0.515 69 c N 0.582 119.227 118.600 0.076 0.000 4.350 69 c HA -0.146 4.425 4.570 0.001 0.000 0.302 69 c C 2.020 176.121 174.090 0.018 0.000 1.390 69 c CA 1.092 57.479 56.329 0.096 0.000 2.016 69 c CB -3.017 39.538 42.510 0.075 0.000 1.271 69 c HN 0.569 nan 8.230 nan 0.000 0.760 70 T N -2.933 111.630 114.554 0.015 0.000 2.925 70 T HA 0.089 4.440 4.350 0.001 0.000 0.245 70 T C 0.864 175.629 174.700 0.109 0.000 1.025 70 T CA 1.374 63.462 62.100 -0.020 0.000 1.149 70 T CB -0.200 68.651 68.868 -0.028 0.000 0.866 70 T HN 0.815 nan 8.240 nan 0.000 0.437 71 T N 5.242 119.770 114.554 -0.043 0.000 2.779 71 T HA 0.323 4.674 4.350 0.001 0.000 0.296 71 T C -2.654 171.939 174.700 -0.178 0.000 0.938 71 T CA -1.954 60.028 62.100 -0.196 0.000 1.119 71 T CB 0.540 69.073 68.868 -0.558 0.000 0.891 71 T HN 0.093 nan 8.240 nan 0.000 0.526 72 P HA 0.233 nan 4.420 nan 0.000 0.274 72 P C -0.413 176.733 177.300 -0.256 0.000 1.231 72 P CA -0.391 62.328 63.100 -0.635 0.000 0.790 72 P CB 0.771 32.141 31.700 -0.551 0.000 0.951 73 E N 0.803 120.848 120.200 -0.257 0.000 2.354 73 E HA 0.050 4.400 4.350 0.001 0.000 0.269 73 E C 0.803 177.399 176.600 -0.008 0.000 1.036 73 E CA -0.316 56.099 56.400 0.025 0.000 0.876 73 E CB 0.162 29.852 29.700 -0.016 0.000 1.009 73 E HN 0.362 nan 8.360 nan 0.000 0.416 74 F N 2.871 122.810 119.950 -0.018 0.000 2.063 74 F HA -0.321 4.207 4.527 0.001 0.000 0.297 74 F C 1.873 177.644 175.800 -0.049 0.000 1.099 74 F CA 1.866 59.850 58.000 -0.027 0.000 1.220 74 F CB -0.167 38.828 39.000 -0.008 0.000 0.972 74 F HN 0.510 nan 8.300 nan 0.000 0.487 75 L N -0.061 121.278 121.223 0.194 0.000 2.127 75 L HA -0.194 4.146 4.340 0.001 0.000 0.211 75 L C 2.185 179.021 176.870 -0.057 0.000 1.089 75 L CA 2.453 57.345 54.840 0.087 0.000 0.757 75 L CB -1.300 40.805 42.059 0.076 0.000 0.899 75 L HN 0.209 nan 8.230 nan 0.000 0.434 76 T N -0.191 114.286 114.554 -0.127 0.000 2.684 76 T HA -0.206 4.145 4.350 0.001 0.000 0.267 76 T C 1.928 176.513 174.700 -0.191 0.000 1.036 76 T CA 1.780 63.751 62.100 -0.214 0.000 1.148 76 T CB -0.220 68.363 68.868 -0.475 0.000 0.863 76 T HN 0.427 nan 8.240 nan 0.000 0.436 77 R N 0.526 120.875 120.500 -0.251 0.000 2.094 77 R HA -0.108 4.233 4.340 0.001 0.000 0.239 77 R C 2.394 178.583 176.300 -0.185 0.000 1.137 77 R CA 1.485 57.432 56.100 -0.255 0.000 0.943 77 R CB -0.717 29.307 30.300 -0.460 0.000 0.850 77 R HN 0.325 nan 8.270 nan 0.000 0.433 78 I N 1.750 122.207 120.570 -0.188 0.000 2.145 78 I HA -0.315 3.856 4.170 0.001 0.000 0.244 78 I C 2.100 178.187 176.117 -0.050 0.000 1.075 78 I CA 1.732 62.975 61.300 -0.095 0.000 1.332 78 I CB -1.130 36.850 38.000 -0.033 0.000 1.033 78 I HN 0.226 nan 8.210 nan 0.000 0.410 79 K N 0.449 120.823 120.400 -0.044 0.000 2.025 79 K HA -0.077 4.244 4.320 0.001 0.000 0.207 79 K C 2.248 178.847 176.600 -0.001 0.000 1.049 79 K CA 0.912 57.190 56.287 -0.016 0.000 0.933 79 K CB -0.282 32.206 32.500 -0.020 0.000 0.714 79 K HN 0.257 nan 8.250 nan 0.000 0.438 80 L N 1.255 122.473 121.223 -0.008 0.000 2.043 80 L HA -0.237 4.104 4.340 0.001 0.000 0.212 80 L C 2.457 179.334 176.870 0.013 0.000 1.075 80 L CA 1.353 56.206 54.840 0.022 0.000 0.752 80 L CB -0.599 41.479 42.059 0.032 0.000 0.891 80 L HN 0.257 nan 8.230 nan 0.000 0.432 81 L N -0.821 120.394 121.223 -0.014 0.000 1.989 81 L HA -0.265 4.076 4.340 0.001 0.000 0.211 81 L C 2.479 179.352 176.870 0.005 0.000 1.071 81 L CA 1.184 56.018 54.840 -0.011 0.000 0.749 81 L CB -0.497 41.545 42.059 -0.029 0.000 0.890 81 L HN 0.253 nan 8.230 nan 0.000 0.431 82 L N 0.155 121.381 121.223 0.007 0.000 2.362 82 L HA -0.106 4.234 4.340 0.001 0.000 0.219 82 L C 1.189 178.081 176.870 0.036 0.000 1.134 82 L CA 0.881 55.731 54.840 0.017 0.000 0.807 82 L CB -0.798 41.269 42.059 0.014 0.000 0.927 82 L HN 0.068 nan 8.230 nan 0.000 0.447 83 K N 2.649 123.077 120.400 0.046 0.000 2.367 83 K HA 0.013 4.334 4.320 0.001 0.000 0.275 83 K C -2.125 174.520 176.600 0.075 0.000 1.125 83 K CA -0.735 55.596 56.287 0.072 0.000 1.133 83 K CB -0.060 32.488 32.500 0.080 0.000 0.875 83 K HN 0.018 nan 8.250 nan 0.000 0.467 84 P HA 0.041 nan 4.420 nan 0.000 0.279 84 P C -0.566 176.798 177.300 0.107 0.000 1.239 84 P CA -0.515 62.637 63.100 0.086 0.000 0.789 84 P CB 1.371 33.125 31.700 0.090 0.000 0.933 85 T N 4.029 118.639 114.554 0.094 0.000 2.930 85 T HA 0.088 4.439 4.350 0.001 0.000 0.306 85 T C -1.023 173.759 174.700 0.137 0.000 1.045 85 T CA -1.449 60.714 62.100 0.104 0.000 1.134 85 T CB -0.006 68.912 68.868 0.083 0.000 0.961 85 T HN 0.328 nan 8.240 nan 0.000 0.545 86 P HA -0.188 nan 4.420 nan 0.000 0.217 86 P C 1.062 178.497 177.300 0.225 0.000 1.151 86 P CA 1.499 64.711 63.100 0.187 0.000 0.849 86 P CB 0.092 31.894 31.700 0.171 0.000 0.787 87 N N -0.803 118.011 118.700 0.189 0.000 2.188 87 N HA -0.071 4.669 4.740 0.001 0.000 0.184 87 N C 1.771 177.417 175.510 0.227 0.000 1.018 87 N CA 1.479 54.647 53.050 0.197 0.000 0.858 87 N CB -0.797 37.756 38.487 0.109 0.000 0.989 87 N HN 0.210 nan 8.380 nan 0.000 0.426 88 T N 1.955 116.613 114.554 0.173 0.000 2.622 88 T HA -0.086 4.265 4.350 0.001 0.000 0.266 88 T C 2.381 177.229 174.700 0.247 0.000 1.047 88 T CA 1.280 63.480 62.100 0.167 0.000 1.159 88 T CB -0.513 68.421 68.868 0.110 0.000 0.863 88 T HN -0.014 nan 8.240 nan 0.000 0.422 89 V N 1.717 121.761 119.914 0.216 0.000 2.282 89 V HA -0.257 3.863 4.120 0.001 0.000 0.249 89 V C 2.439 178.650 176.094 0.193 0.000 1.057 89 V CA 2.001 64.426 62.300 0.208 0.000 1.032 89 V CB -0.952 30.991 31.823 0.200 0.000 0.645 89 V HN 0.577 nan 8.190 nan 0.000 0.447 90 H N -0.694 118.450 119.070 0.124 0.000 2.353 90 H HA -0.247 4.309 4.556 0.001 0.000 0.298 90 H C 2.250 177.618 175.328 0.066 0.000 1.103 90 H CA 2.609 58.697 56.048 0.066 0.000 1.293 90 H CB -0.390 29.443 29.762 0.118 0.000 1.372 90 H HN 0.551 nan 8.280 nan 0.000 0.501 91 Y N 0.985 121.444 120.300 0.264 0.000 2.036 91 Y HA -0.219 4.332 4.550 0.001 0.000 0.273 91 Y C 2.862 178.860 175.900 0.163 0.000 1.135 91 Y CA 2.307 60.500 58.100 0.156 0.000 1.106 91 Y CB -0.716 37.722 38.460 -0.036 0.000 0.976 91 Y HN 0.112 nan 8.280 nan 0.000 0.483 92 I N -0.362 120.464 120.570 0.426 0.000 2.300 92 I HA -0.337 3.834 4.170 0.001 0.000 0.252 92 I C 2.190 178.620 176.117 0.520 0.000 1.119 92 I CA 1.060 62.708 61.300 0.580 0.000 1.384 92 I CB -0.572 37.748 38.000 0.534 0.000 1.062 92 I HN 0.321 nan 8.210 nan 0.000 0.426 93 L N 0.371 121.712 121.223 0.197 0.000 2.072 93 L HA -0.095 4.245 4.340 0.001 0.000 0.205 93 L C 2.436 179.095 176.870 -0.353 0.000 1.079 93 L CA 2.061 56.816 54.840 -0.143 0.000 0.752 93 L CB -1.090 40.560 42.059 -0.681 0.000 0.906 93 L HN 0.188 nan 8.230 nan 0.000 0.436 94 T N -0.839 113.522 114.554 -0.322 0.000 3.118 94 T HA 0.011 4.361 4.350 0.001 0.000 0.260 94 T C 0.813 175.106 174.700 -0.679 0.000 1.139 94 T CA 0.370 62.169 62.100 -0.503 0.000 1.085 94 T CB -0.278 68.426 68.868 -0.273 0.000 0.934 94 T HN 0.377 nan 8.240 nan 0.000 0.518 95 H N -0.500 118.279 119.070 -0.485 0.000 3.330 95 H HA 0.290 4.846 4.556 0.001 0.000 0.229 95 H C 0.404 175.670 175.328 -0.103 0.000 1.635 95 H CA -1.180 54.503 56.048 -0.609 0.000 1.676 95 H CB 0.274 29.119 29.762 -1.528 0.000 1.440 95 H HN 0.049 nan 8.280 nan 0.000 0.967 96 F N -0.356 119.832 119.950 0.397 0.000 3.082 96 F HA -0.240 4.288 4.527 0.001 0.000 0.272 96 F C 1.757 177.710 175.800 0.254 0.000 0.936 96 F CA 0.668 58.811 58.000 0.239 0.000 0.920 96 F CB -1.991 37.043 39.000 0.056 0.000 0.901 96 F HN 0.396 nan 8.300 nan 0.000 0.695 97 K N 1.268 121.826 120.400 0.264 0.000 2.227 97 K HA -0.222 4.099 4.320 0.001 0.000 0.208 97 K C 2.082 178.708 176.600 0.043 0.000 1.045 97 K CA 2.069 58.284 56.287 -0.120 0.000 0.931 97 K CB -0.887 31.329 32.500 -0.473 0.000 0.721 97 K HN 0.581 nan 8.250 nan 0.000 0.469 98 G N -1.050 107.800 108.800 0.085 0.000 2.411 98 G HA2 -0.088 3.873 3.960 0.001 0.000 0.213 98 G HA3 -0.088 3.873 3.960 0.001 0.000 0.213 98 G C 1.508 176.447 174.900 0.064 0.000 1.166 98 G CA 0.540 45.678 45.100 0.063 0.000 0.802 98 G HN 0.179 nan 8.290 nan 0.000 0.533 99 V N -0.088 119.855 119.914 0.048 0.000 2.255 99 V HA -0.209 3.912 4.120 0.001 0.000 0.247 99 V C 2.403 178.448 176.094 -0.082 0.000 1.051 99 V CA 1.789 64.040 62.300 -0.082 0.000 1.018 99 V CB -0.849 30.852 31.823 -0.205 0.000 0.641 99 V HN 0.560 nan 8.190 nan 0.000 0.445 100 W N 0.375 121.757 121.300 0.137 0.000 2.331 100 W HA -0.233 4.427 4.660 0.001 0.000 0.291 100 W C 2.561 179.149 176.519 0.115 0.000 1.214 100 W CA 1.583 59.021 57.345 0.154 0.000 1.228 100 W CB -0.404 29.174 29.460 0.196 0.000 1.135 100 W HN 0.317 nan 8.180 nan 0.000 0.537 101 N N 0.495 119.352 118.700 0.261 0.000 2.188 101 N HA -0.144 4.597 4.740 0.001 0.000 0.184 101 N C 1.426 177.011 175.510 0.126 0.000 1.018 101 N CA 1.501 54.649 53.050 0.165 0.000 0.858 101 N CB -0.361 38.176 38.487 0.084 0.000 0.989 101 N HN 0.071 nan 8.380 nan 0.000 0.426 102 I N -0.440 120.182 120.570 0.087 0.000 2.127 102 I HA -0.285 3.885 4.170 0.001 0.000 0.241 102 I C 1.988 178.144 176.117 0.066 0.000 1.075 102 I CA 0.809 62.137 61.300 0.047 0.000 1.334 102 I CB -0.407 37.596 38.000 0.005 0.000 1.040 102 I HN 0.017 nan 8.210 nan 0.000 0.405 103 V N 0.829 120.808 119.914 0.108 0.000 2.231 103 V HA -0.317 3.804 4.120 0.001 0.000 0.248 103 V C 1.421 177.648 176.094 0.223 0.000 1.054 103 V CA 1.957 64.360 62.300 0.172 0.000 1.015 103 V CB -0.968 31.040 31.823 0.309 0.000 0.638 103 V HN 0.472 nan 8.190 nan 0.000 0.444 104 N N 0.696 119.575 118.700 0.298 0.000 2.799 104 N HA -0.032 4.709 4.740 0.001 0.000 0.205 104 N C 0.281 175.839 175.510 0.080 0.000 1.640 104 N CA 0.303 53.473 53.050 0.201 0.000 0.942 104 N CB -1.332 37.254 38.487 0.165 0.000 1.262 104 N HN 0.507 nan 8.380 nan 0.000 0.485 105 I N 0.424 120.902 120.570 -0.155 0.000 2.727 105 I HA -0.302 3.869 4.170 0.001 0.000 0.127 105 I C -0.997 174.770 176.117 -0.585 0.000 0.882 105 I CA -0.456 60.600 61.300 -0.406 0.000 2.785 105 I CB -0.225 37.663 38.000 -0.187 0.000 0.548 105 I HN 0.066 nan 8.210 nan 0.000 0.352 106 P HA -0.260 nan 4.420 nan 0.000 0.218 106 P C 1.437 178.540 177.300 -0.328 0.000 1.165 106 P CA 1.988 64.800 63.100 -0.480 0.000 0.922 106 P CB -0.002 31.448 31.700 -0.416 0.000 0.794 107 F N -1.617 118.384 119.950 0.085 0.000 2.147 107 F HA -0.173 4.355 4.527 0.001 0.000 0.301 107 F C 2.398 178.252 175.800 0.089 0.000 1.084 107 F CA 0.842 58.889 58.000 0.078 0.000 1.268 107 F CB -2.106 36.930 39.000 0.060 0.000 1.009 107 F HN -0.100 nan 8.300 nan 0.000 0.486 108 L N -0.404 120.843 121.223 0.041 0.000 2.023 108 L HA -0.125 4.216 4.340 0.001 0.000 0.205 108 L C 2.884 179.828 176.870 0.123 0.000 1.073 108 L CA 1.268 56.156 54.840 0.079 0.000 0.745 108 L CB -0.455 41.627 42.059 0.040 0.000 0.900 108 L HN 0.078 nan 8.230 nan 0.000 0.435 109 R N 0.189 120.786 120.500 0.163 0.000 2.097 109 R HA -0.232 4.108 4.340 0.001 0.000 0.236 109 R C 2.541 179.057 176.300 0.359 0.000 1.135 109 R CA 2.417 58.749 56.100 0.388 0.000 0.934 109 R CB -0.392 30.097 30.300 0.316 0.000 0.846 109 R HN 0.488 nan 8.270 nan 0.000 0.431 110 S N 1.690 117.518 115.700 0.213 0.000 2.365 110 S HA -0.226 4.245 4.470 0.001 0.000 0.225 110 S C 2.133 176.842 174.600 0.181 0.000 1.039 110 S CA 1.447 59.753 58.200 0.177 0.000 1.033 110 S CB -0.989 62.288 63.200 0.129 0.000 0.887 110 S HN 0.447 nan 8.310 nan 0.000 0.447 111 L N 1.593 122.913 121.223 0.162 0.000 2.021 111 L HA -0.130 4.211 4.340 0.001 0.000 0.215 111 L C 2.373 179.328 176.870 0.142 0.000 1.074 111 L CA 2.152 57.075 54.840 0.139 0.000 0.760 111 L CB -1.005 41.126 42.059 0.119 0.000 0.889 111 L HN 0.337 nan 8.230 nan 0.000 0.433 112 I N -0.700 119.942 120.570 0.120 0.000 2.163 112 I HA -0.303 3.868 4.170 0.001 0.000 0.240 112 I C 2.660 178.910 176.117 0.221 0.000 1.081 112 I CA 1.028 62.347 61.300 0.032 0.000 1.353 112 I CB -1.338 36.374 38.000 -0.481 0.000 1.054 112 I HN 0.317 nan 8.210 nan 0.000 0.407 113 M N 1.254 121.084 119.600 0.384 0.000 2.108 113 M HA -0.257 4.224 4.480 0.001 0.000 0.257 113 M C 2.228 178.659 176.300 0.219 0.000 1.071 113 M CA 1.793 57.322 55.300 0.382 0.000 1.093 113 M CB -0.995 31.788 32.600 0.304 0.000 1.345 113 M HN 0.191 nan 8.290 nan 0.000 0.403 114 K N -1.559 118.947 120.400 0.176 0.000 1.991 114 K HA -0.249 4.072 4.320 0.001 0.000 0.212 114 K C 2.167 178.850 176.600 0.138 0.000 1.049 114 K CA 1.983 58.342 56.287 0.120 0.000 0.932 114 K CB -0.643 31.926 32.500 0.116 0.000 0.717 114 K HN 0.378 nan 8.250 nan 0.000 0.441 115 Y N 1.111 121.461 120.300 0.083 0.000 2.040 115 Y HA -0.318 4.233 4.550 0.001 0.000 0.275 115 Y C 2.001 177.966 175.900 0.108 0.000 1.171 115 Y CA 2.032 60.184 58.100 0.088 0.000 1.123 115 Y CB -0.929 37.575 38.460 0.074 0.000 0.963 115 Y HN -0.003 nan 8.280 nan 0.000 0.493 116 V N 0.474 120.327 119.914 -0.102 0.000 2.252 116 V HA -0.290 3.831 4.120 0.001 0.000 0.249 116 V C 2.323 178.334 176.094 -0.138 0.000 1.056 116 V CA 2.331 64.510 62.300 -0.201 0.000 1.022 116 V CB -0.903 31.020 31.823 0.167 0.000 0.641 116 V HN 0.530 nan 8.190 nan 0.000 0.445 117 L N 1.097 122.304 121.223 -0.026 0.000 2.043 117 L HA -0.161 4.180 4.340 0.001 0.000 0.212 117 L C 2.833 179.667 176.870 -0.060 0.000 1.075 117 L CA 3.035 57.850 54.840 -0.041 0.000 0.752 117 L CB -1.295 40.734 42.059 -0.050 0.000 0.891 117 L HN 0.803 nan 8.230 nan 0.000 0.432 118 T N -4.429 110.094 114.554 -0.051 0.000 2.706 118 T HA -0.116 4.235 4.350 0.001 0.000 0.255 118 T C 2.086 176.810 174.700 0.041 0.000 1.048 118 T CA 1.269 63.378 62.100 0.015 0.000 1.153 118 T CB -0.961 67.940 68.868 0.054 0.000 0.865 118 T HN 0.404 nan 8.240 nan 0.000 0.414 119 S N 2.449 118.124 115.700 -0.041 0.000 2.378 119 S HA -0.288 4.183 4.470 0.001 0.000 0.229 119 S C 2.202 176.823 174.600 0.035 0.000 1.052 119 S CA 1.467 59.698 58.200 0.052 0.000 1.084 119 S CB -0.760 62.304 63.200 -0.226 0.000 0.950 119 S HN 0.349 nan 8.310 nan 0.000 0.440 120 R N 1.646 122.105 120.500 -0.068 0.000 2.119 120 R HA -0.009 4.332 4.340 0.001 0.000 0.246 120 R C 2.632 178.887 176.300 -0.075 0.000 1.146 120 R CA 1.891 57.955 56.100 -0.060 0.000 0.962 120 R CB -1.081 29.209 30.300 -0.017 0.000 0.863 120 R HN 0.598 nan 8.270 nan 0.000 0.442 121 S N -0.611 115.091 115.700 0.004 0.000 2.446 121 S HA -0.086 4.385 4.470 0.001 0.000 0.225 121 S C 1.443 176.050 174.600 0.013 0.000 1.016 121 S CA 0.688 58.914 58.200 0.044 0.000 0.943 121 S CB -0.308 63.007 63.200 0.191 0.000 0.786 121 S HN 0.582 nan 8.310 nan 0.000 0.508 122 Y N 1.478 121.795 120.300 0.029 0.000 2.556 122 Y HA 0.023 4.574 4.550 0.001 0.000 0.290 122 Y C 1.486 177.370 175.900 -0.027 0.000 1.149 122 Y CA 0.408 58.516 58.100 0.012 0.000 1.329 122 Y CB -0.560 37.912 38.460 0.019 0.000 0.975 122 Y HN 0.087 nan 8.280 nan 0.000 0.561 123 L N 0.978 121.824 121.223 -0.629 0.000 2.179 123 L HA 0.057 4.397 4.340 0.001 0.000 0.208 123 L C 0.662 177.330 176.870 -0.337 0.000 1.096 123 L CA 0.629 55.095 54.840 -0.623 0.000 0.779 123 L CB -1.103 40.534 42.059 -0.704 0.000 0.922 123 L HN 0.324 nan 8.230 nan 0.000 0.443 124 I N -2.025 118.451 120.570 -0.155 0.000 2.499 124 I HA 0.286 4.456 4.170 0.001 0.000 0.296 124 I C -0.019 176.093 176.117 -0.009 0.000 0.992 124 I CA -1.058 60.224 61.300 -0.029 0.000 1.297 124 I CB 0.102 38.153 38.000 0.084 0.000 1.410 124 I HN -0.194 nan 8.210 nan 0.000 0.507 125 D N 3.380 123.795 120.400 0.026 0.000 2.336 125 D HA 0.383 5.024 4.640 0.001 0.000 0.249 125 D C -0.706 175.594 176.300 0.000 0.000 1.213 125 D CA 0.389 54.403 54.000 0.022 0.000 0.870 125 D CB 0.785 41.618 40.800 0.056 0.000 1.076 125 D HN 0.538 nan 8.370 nan 0.000 0.483 126 S N 2.335 118.020 115.700 -0.025 0.000 2.736 126 S HA 0.449 4.920 4.470 0.001 0.000 0.285 126 S C -2.485 172.087 174.600 -0.047 0.000 1.163 126 S CA -1.112 57.058 58.200 -0.049 0.000 1.025 126 S CB 1.245 64.378 63.200 -0.113 0.000 1.030 126 S HN 0.137 nan 8.310 nan 0.000 0.486 127 P HA 0.297 nan 4.420 nan 0.000 0.272 127 P C -2.509 174.810 177.300 0.032 0.000 1.230 127 P CA -1.001 62.110 63.100 0.019 0.000 0.788 127 P CB -0.031 31.693 31.700 0.040 0.000 0.949 128 P HA -0.074 nan 4.420 nan 0.000 0.267 128 P C 0.045 177.363 177.300 0.030 0.000 1.201 128 P CA 0.381 63.508 63.100 0.044 0.000 0.775 128 P CB 0.492 32.194 31.700 0.005 0.000 0.854 129 T N -0.241 114.302 114.554 -0.018 0.000 2.709 129 T HA 0.213 4.564 4.350 0.001 0.000 0.174 129 T C 0.585 175.172 174.700 -0.188 0.000 0.774 129 T CA -0.044 61.943 62.100 -0.188 0.000 1.309 129 T CB -0.692 67.968 68.868 -0.347 0.000 2.586 129 T HN 0.220 nan 8.240 nan 0.000 0.401 130 Y N 3.674 123.993 120.300 0.032 0.000 2.220 130 Y HA 0.553 5.103 4.550 0.001 0.000 0.347 130 Y C 0.956 176.838 175.900 -0.030 0.000 1.311 130 Y CA -0.250 57.860 58.100 0.015 0.000 1.593 130 Y CB 0.076 38.526 38.460 -0.016 0.000 1.419 130 Y HN 0.968 nan 8.280 nan 0.000 0.614 131 N N -4.616 114.153 118.700 0.115 0.000 3.356 131 N HA 0.100 4.841 4.740 0.001 0.000 0.246 131 N C -0.292 175.056 175.510 -0.269 0.000 1.480 131 N CA -0.341 52.637 53.050 -0.121 0.000 0.877 131 N CB 0.274 38.603 38.487 -0.262 0.000 1.431 131 N HN 0.217 nan 8.380 nan 0.000 0.500 132 V N 0.130 119.763 119.914 -0.468 0.000 2.265 132 V HA -0.384 3.737 4.120 0.001 0.000 0.259 132 V C 1.710 177.467 176.094 -0.563 0.000 1.084 132 V CA 2.778 64.734 62.300 -0.574 0.000 1.076 132 V CB -1.374 29.898 31.823 -0.919 0.000 0.680 132 V HN 0.807 nan 8.190 nan 0.000 0.452 133 H N -3.542 115.266 119.070 -0.437 0.000 2.582 133 H HA 0.224 4.781 4.556 0.001 0.000 0.269 133 H C -0.040 174.828 175.328 -0.767 0.000 0.962 133 H CA 0.086 55.813 56.048 -0.535 0.000 1.230 133 H CB 0.228 29.647 29.762 -0.573 0.000 1.445 133 H HN 0.469 nan 8.280 nan 0.000 0.528 134 Y N 0.277 120.490 120.300 -0.145 0.000 2.402 134 Y HA 0.329 4.880 4.550 0.001 0.000 0.332 134 Y C 1.134 176.962 175.900 -0.119 0.000 0.960 134 Y CA -0.793 57.158 58.100 -0.248 0.000 1.228 134 Y CB 1.672 40.059 38.460 -0.122 0.000 1.120 134 Y HN 0.125 nan 8.280 nan 0.000 0.491 135 G N 2.422 111.135 108.800 -0.146 0.000 2.880 135 G HA2 -0.007 3.954 3.960 0.001 0.000 0.209 135 G HA3 -0.007 3.954 3.960 0.001 0.000 0.209 135 G C -0.147 174.977 174.900 0.374 0.000 1.157 135 G CA 0.260 45.403 45.100 0.071 0.000 0.779 135 G HN 0.535 nan 8.290 nan 0.000 0.539 136 Y N -2.292 118.237 120.300 0.382 0.000 2.621 136 Y HA 0.724 5.275 4.550 0.001 0.000 0.334 136 Y C 1.153 177.090 175.900 0.062 0.000 1.074 136 Y CA -2.590 55.662 58.100 0.254 0.000 1.149 136 Y CB 0.957 39.529 38.460 0.187 0.000 1.302 136 Y HN -0.197 nan 8.280 nan 0.000 0.501 137 K N 0.902 121.407 120.400 0.176 0.000 2.063 137 K HA -0.078 4.243 4.320 0.001 0.000 0.208 137 K C 0.413 177.044 176.600 0.052 0.000 1.048 137 K CA 1.353 57.614 56.287 -0.043 0.000 0.928 137 K CB -0.288 32.143 32.500 -0.114 0.000 0.713 137 K HN 0.876 nan 8.250 nan 0.000 0.442 138 S N -0.606 115.189 115.700 0.157 0.000 3.789 138 S HA -0.255 4.215 4.470 0.001 0.000 0.853 138 S C 0.709 175.321 174.600 0.021 0.000 1.269 138 S CA 0.603 58.843 58.200 0.067 0.000 0.777 138 S CB -0.303 62.905 63.200 0.014 0.000 0.990 138 S HN 0.528 nan 8.310 nan 0.000 0.296 139 W N 3.941 125.214 121.300 -0.044 0.000 2.388 139 W HA -0.126 4.535 4.660 0.001 0.000 0.294 139 W C 1.937 178.456 176.519 0.000 0.000 1.212 139 W CA 1.800 59.166 57.345 0.036 0.000 1.271 139 W CB -0.661 28.813 29.460 0.024 0.000 1.126 139 W HN 1.078 nan 8.180 nan 0.000 0.535 140 E N 1.127 121.294 120.200 -0.054 0.000 2.097 140 E HA -0.214 4.136 4.350 0.001 0.000 0.196 140 E C 2.090 178.557 176.600 -0.223 0.000 1.000 140 E CA 2.588 58.896 56.400 -0.154 0.000 0.804 140 E CB -0.749 28.812 29.700 -0.231 0.000 0.740 140 E HN 0.134 nan 8.360 nan 0.000 0.454 141 A N 0.238 122.861 122.820 -0.329 0.000 1.828 141 A HA -0.119 4.202 4.320 0.001 0.000 0.215 141 A C 2.264 179.745 177.584 -0.171 0.000 1.203 141 A CA 1.548 53.520 52.037 -0.108 0.000 0.614 141 A CB -1.377 17.564 19.000 -0.099 0.000 0.844 141 A HN 0.485 nan 8.150 nan 0.000 0.445 142 F N 2.278 122.023 119.950 -0.342 0.000 2.147 142 F HA -0.285 4.243 4.527 0.001 0.000 0.301 142 F C 2.576 178.056 175.800 -0.533 0.000 1.084 142 F CA 2.317 60.040 58.000 -0.461 0.000 1.268 142 F CB -0.344 38.265 39.000 -0.651 0.000 1.009 142 F HN 0.304 nan 8.300 nan 0.000 0.486 143 S N -0.806 114.298 115.700 -0.994 0.000 2.388 143 S HA -0.062 4.408 4.470 0.001 0.000 0.223 143 S C 1.120 175.401 174.600 -0.532 0.000 1.034 143 S CA 0.258 57.936 58.200 -0.870 0.000 0.963 143 S CB -0.850 62.026 63.200 -0.540 0.000 0.827 143 S HN 0.402 nan 8.310 nan 0.000 0.481 144 N N 2.199 120.677 118.700 -0.370 0.000 2.412 144 N HA 0.094 4.835 4.740 0.001 0.000 0.279 144 N C 0.479 175.811 175.510 -0.296 0.000 1.287 144 N CA 0.061 52.926 53.050 -0.308 0.000 0.948 144 N CB 0.074 38.328 38.487 -0.388 0.000 1.255 144 N HN 0.440 nan 8.380 nan 0.000 0.485 145 L N 1.808 122.859 121.223 -0.287 0.000 2.551 145 L HA -0.064 4.277 4.340 0.001 0.000 0.228 145 L C 1.817 178.636 176.870 -0.085 0.000 1.153 145 L CA 0.363 55.034 54.840 -0.282 0.000 0.851 145 L CB -0.057 41.801 42.059 -0.335 0.000 0.959 145 L HN 0.419 nan 8.230 nan 0.000 0.451 146 S N -1.537 114.111 115.700 -0.088 0.000 2.436 146 S HA -0.020 4.450 4.470 0.001 0.000 0.228 146 S C 0.605 175.268 174.600 0.107 0.000 1.014 146 S CA 0.276 58.493 58.200 0.029 0.000 0.950 146 S CB -0.097 63.146 63.200 0.073 0.000 0.784 146 S HN 0.177 nan 8.310 nan 0.000 0.504 147 Y N 0.478 120.750 120.300 -0.047 0.000 2.296 147 Y HA 0.291 4.841 4.550 0.001 0.000 0.343 147 Y C 0.163 175.944 175.900 -0.199 0.000 1.292 147 Y CA -1.498 56.458 58.100 -0.240 0.000 1.490 147 Y CB -0.030 38.319 38.460 -0.184 0.000 1.359 147 Y HN 0.081 nan 8.280 nan 0.000 0.599 148 Y N -0.393 119.918 120.300 0.017 0.000 2.360 148 Y HA 0.251 4.802 4.550 0.001 0.000 0.337 148 Y C 0.759 176.642 175.900 -0.029 0.000 1.039 148 Y CA -0.688 57.399 58.100 -0.022 0.000 1.109 148 Y CB 1.572 39.996 38.460 -0.060 0.000 1.201 148 Y HN 0.532 nan 8.280 nan 0.000 0.458 149 T N 2.281 116.925 114.554 0.150 0.000 2.726 149 T HA 0.396 4.747 4.350 0.001 0.000 0.294 149 T C -0.544 174.190 174.700 0.057 0.000 1.013 149 T CA -0.295 61.852 62.100 0.079 0.000 0.996 149 T CB 0.410 69.315 68.868 0.062 0.000 1.016 149 T HN 0.629 nan 8.240 nan 0.000 0.529 150 R N 0.664 121.205 120.500 0.068 0.000 2.532 150 R HA 0.663 5.003 4.340 0.001 0.000 0.297 150 R C 0.583 176.961 176.300 0.129 0.000 0.984 150 R CA -0.012 56.120 56.100 0.053 0.000 0.884 150 R CB 1.072 31.363 30.300 -0.016 0.000 1.182 150 R HN 0.663 nan 8.270 nan 0.000 0.442 151 A N 4.602 127.539 122.820 0.195 0.000 2.119 151 A HA 0.191 4.512 4.320 0.001 0.000 0.217 151 A C 0.143 177.776 177.584 0.081 0.000 1.153 151 A CA 0.818 53.026 52.037 0.284 0.000 0.692 151 A CB 0.056 19.445 19.000 0.649 0.000 0.799 151 A HN 0.405 nan 8.150 nan 0.000 0.458 152 L N -0.176 121.010 121.223 -0.063 0.000 2.472 152 L HA 0.370 4.711 4.340 0.001 0.000 0.260 152 L C -2.751 173.907 176.870 -0.353 0.000 0.963 152 L CA -1.748 52.901 54.840 -0.319 0.000 0.829 152 L CB 2.597 44.304 42.059 -0.586 0.000 1.348 152 L HN -0.034 nan 8.230 nan 0.000 0.408 153 P HA 0.179 nan 4.420 nan 0.000 0.269 153 P C -2.732 174.404 177.300 -0.273 0.000 1.215 153 P CA -0.886 61.937 63.100 -0.463 0.000 0.780 153 P CB 0.008 31.356 31.700 -0.588 0.000 0.898 154 P HA 0.102 nan 4.420 nan 0.000 0.289 154 P C -0.458 176.775 177.300 -0.111 0.000 1.299 154 P CA -0.226 62.789 63.100 -0.142 0.000 0.766 154 P CB 0.523 32.145 31.700 -0.130 0.000 1.226 155 V N -0.119 119.759 119.914 -0.060 0.000 2.539 155 V HA 0.385 4.505 4.120 0.001 0.000 0.292 155 V C 0.825 176.900 176.094 -0.031 0.000 1.045 155 V CA -0.851 61.423 62.300 -0.042 0.000 0.945 155 V CB 0.625 32.442 31.823 -0.010 0.000 0.993 155 V HN 0.721 nan 8.190 nan 0.000 0.464 156 A N 2.654 125.458 122.820 -0.027 0.000 2.567 156 A HA 0.060 4.381 4.320 0.001 0.000 0.240 156 A C 0.894 178.479 177.584 0.001 0.000 1.053 156 A CA -0.083 51.947 52.037 -0.012 0.000 0.755 156 A CB -0.222 18.780 19.000 0.003 0.000 0.978 156 A HN 0.919 nan 8.150 nan 0.000 0.507 157 D N 0.715 121.117 120.400 0.004 0.000 2.378 157 D HA -0.078 4.562 4.640 0.001 0.000 0.222 157 D C 1.000 177.313 176.300 0.023 0.000 0.980 157 D CA 1.540 55.549 54.000 0.015 0.000 0.907 157 D CB 0.209 41.020 40.800 0.017 0.000 0.899 157 D HN 0.757 nan 8.370 nan 0.000 0.527 158 D N -0.423 119.993 120.400 0.027 0.000 2.402 158 D HA -0.025 4.616 4.640 0.001 0.000 0.216 158 D C 0.179 176.498 176.300 0.033 0.000 1.128 158 D CA -0.351 53.670 54.000 0.035 0.000 0.833 158 D CB -0.581 40.248 40.800 0.047 0.000 0.971 158 D HN -0.031 nan 8.370 nan 0.000 0.503 159 c N 1.913 120.528 118.600 0.024 0.000 2.705 159 c HA 0.185 4.756 4.570 0.001 0.000 0.365 159 c C -0.075 174.028 174.090 0.022 0.000 1.353 159 c CA -0.872 55.469 56.329 0.020 0.000 2.339 159 c CB 1.426 43.942 42.510 0.010 0.000 2.576 159 c HN 0.316 nan 8.230 nan 0.000 0.716 160 P HA 0.007 nan 4.420 nan 0.000 0.217 160 P C 0.287 177.600 177.300 0.023 0.000 1.154 160 P CA 1.393 64.507 63.100 0.022 0.000 0.841 160 P CB -0.015 31.698 31.700 0.021 0.000 0.790 161 T N -3.881 110.687 114.554 0.023 0.000 2.887 161 T HA 0.411 4.762 4.350 0.001 0.000 0.288 161 T C -2.179 172.541 174.700 0.033 0.000 1.021 161 T CA -2.322 59.796 62.100 0.029 0.000 1.000 161 T CB 2.215 71.103 68.868 0.033 0.000 1.034 161 T HN -0.213 nan 8.240 nan 0.000 0.467 162 P HA -0.066 nan 4.420 nan 0.000 0.222 162 P C 0.964 178.300 177.300 0.060 0.000 1.142 162 P CA 0.958 64.088 63.100 0.050 0.000 0.788 162 P CB 0.086 31.819 31.700 0.055 0.000 0.767 163 M N -2.181 117.454 119.600 0.059 0.000 2.346 163 M HA 0.284 4.765 4.480 0.001 0.000 0.280 163 M C 1.231 177.550 176.300 0.031 0.000 1.075 163 M CA 0.315 55.652 55.300 0.061 0.000 0.989 163 M CB 0.527 33.174 32.600 0.079 0.000 1.447 163 M HN 0.089 nan 8.290 nan 0.000 0.511 164 G N 0.131 108.943 108.800 0.021 0.000 1.829 164 G HA2 -0.185 3.776 3.960 0.001 0.000 0.214 164 G HA3 -0.185 3.776 3.960 0.001 0.000 0.214 164 G C 0.106 175.010 174.900 0.006 0.000 1.627 164 G CA 0.087 45.188 45.100 0.002 0.000 1.390 164 G HN 0.102 nan 8.290 nan 0.000 0.458 165 V N 1.599 121.515 119.914 0.004 0.000 3.539 165 V HA 0.444 4.565 4.120 0.001 0.000 0.262 165 V C 0.657 176.762 176.094 0.019 0.000 1.381 165 V CA 1.365 63.670 62.300 0.009 0.000 1.060 165 V CB 0.133 31.955 31.823 -0.002 0.000 0.842 165 V HN 0.385 nan 8.190 nan 0.000 0.445 166 K N 1.024 121.438 120.400 0.023 0.000 2.205 166 K HA 0.582 4.902 4.320 0.001 0.000 0.279 166 K C 0.333 176.965 176.600 0.052 0.000 1.027 166 K CA 0.712 57.021 56.287 0.036 0.000 0.932 166 K CB 1.221 33.743 32.500 0.037 0.000 1.032 166 K HN 0.495 nan 8.250 nan 0.000 0.466 167 G N 1.777 110.612 108.800 0.058 0.000 2.447 167 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 167 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 167 G C -1.323 173.604 174.900 0.046 0.000 1.261 167 G CA -0.766 44.374 45.100 0.067 0.000 1.000 167 G HN 0.678 nan 8.290 nan 0.000 0.515 168 N N -0.421 118.302 118.700 0.038 0.000 2.471 168 N HA 0.361 5.102 4.740 0.001 0.000 0.288 168 N C 1.241 176.764 175.510 0.021 0.000 1.220 168 N CA -0.580 52.484 53.050 0.023 0.000 0.893 168 N CB 1.706 40.200 38.487 0.011 0.000 1.256 168 N HN 0.395 nan 8.380 nan 0.000 0.534 169 K N 0.344 120.753 120.400 0.016 0.000 2.242 169 K HA -0.152 4.169 4.320 0.001 0.000 0.206 169 K C -0.265 176.343 176.600 0.014 0.000 1.045 169 K CA 1.693 57.989 56.287 0.015 0.000 0.930 169 K CB -0.108 32.398 32.500 0.011 0.000 0.726 169 K HN 0.518 nan 8.250 nan 0.000 0.462 170 E N -2.065 118.139 120.200 0.008 0.000 2.431 170 E HA 0.489 4.839 4.350 0.001 0.000 0.268 170 E C -1.222 175.375 176.600 -0.004 0.000 0.953 170 E CA -0.841 55.561 56.400 0.003 0.000 0.810 170 E CB 0.950 30.645 29.700 -0.008 0.000 1.369 170 E HN -0.201 nan 8.360 nan 0.000 0.440 171 L N 0.942 122.156 121.223 -0.015 0.000 2.286 171 L HA 0.582 4.923 4.340 0.001 0.000 0.265 171 L C -2.265 174.527 176.870 -0.130 0.000 1.012 171 L CA -2.309 52.503 54.840 -0.045 0.000 0.818 171 L CB 0.708 42.781 42.059 0.023 0.000 1.337 171 L HN 0.390 nan 8.230 nan 0.000 0.438 172 P HA -0.025 nan 4.420 nan 0.000 0.264 172 P C -0.799 176.404 177.300 -0.162 0.000 1.179 172 P CA -0.051 62.840 63.100 -0.347 0.000 0.763 172 P CB 0.269 31.496 31.700 -0.787 0.000 0.806 173 D N 1.523 121.859 120.400 -0.107 0.000 2.458 173 D HA -0.051 4.590 4.640 0.001 0.000 0.243 173 D C 0.954 177.239 176.300 -0.024 0.000 1.146 173 D CA 0.358 54.328 54.000 -0.051 0.000 0.877 173 D CB 0.909 41.686 40.800 -0.039 0.000 1.176 173 D HN 0.349 nan 8.370 nan 0.000 0.461 174 S N 4.579 120.279 115.700 0.001 0.000 2.354 174 S HA -0.289 4.181 4.470 0.001 0.000 0.219 174 S C 1.772 176.391 174.600 0.032 0.000 1.035 174 S CA 1.218 59.437 58.200 0.030 0.000 1.037 174 S CB -0.321 62.895 63.200 0.026 0.000 0.956 174 S HN 0.554 nan 8.310 nan 0.000 0.428 175 K N 1.793 122.203 120.400 0.018 0.000 2.089 175 K HA -0.167 4.154 4.320 0.001 0.000 0.210 175 K C 2.106 178.715 176.600 0.016 0.000 1.048 175 K CA 2.125 58.422 56.287 0.017 0.000 0.926 175 K CB -0.746 31.759 32.500 0.008 0.000 0.714 175 K HN 0.639 nan 8.250 nan 0.000 0.448 176 E N -0.749 119.455 120.200 0.007 0.000 2.015 176 E HA -0.119 4.232 4.350 0.001 0.000 0.191 176 E C 1.808 178.419 176.600 0.019 0.000 0.991 176 E CA 1.689 58.090 56.400 0.002 0.000 0.802 176 E CB -0.019 29.670 29.700 -0.018 0.000 0.759 176 E HN 0.114 nan 8.360 nan 0.000 0.447 177 V N 2.110 122.047 119.914 0.037 0.000 2.392 177 V HA -0.284 3.837 4.120 0.001 0.000 0.249 177 V C 2.427 178.560 176.094 0.066 0.000 1.059 177 V CA 1.636 63.986 62.300 0.084 0.000 1.051 177 V CB -0.740 31.177 31.823 0.158 0.000 0.658 177 V HN 0.443 nan 8.190 nan 0.000 0.455 178 L N 0.204 121.463 121.223 0.060 0.000 1.990 178 L HA -0.256 4.084 4.340 0.001 0.000 0.213 178 L C 2.555 179.444 176.870 0.032 0.000 1.072 178 L CA 2.459 57.332 54.840 0.055 0.000 0.755 178 L CB -0.474 41.619 42.059 0.057 0.000 0.889 178 L HN 0.459 nan 8.230 nan 0.000 0.432 179 E N -0.391 119.822 120.200 0.022 0.000 2.028 179 E HA -0.194 4.157 4.350 0.001 0.000 0.190 179 E C 2.173 178.775 176.600 0.004 0.000 0.984 179 E CA 1.075 57.480 56.400 0.009 0.000 0.800 179 E CB 0.026 29.728 29.700 0.004 0.000 0.758 179 E HN 0.489 nan 8.360 nan 0.000 0.448 180 K N 0.427 120.832 120.400 0.008 0.000 1.991 180 K HA -0.135 4.186 4.320 0.001 0.000 0.212 180 K C 2.179 178.780 176.600 0.002 0.000 1.049 180 K CA 1.950 58.239 56.287 0.004 0.000 0.932 180 K CB -0.045 32.460 32.500 0.008 0.000 0.717 180 K HN 0.151 nan 8.250 nan 0.000 0.441 181 V N -2.251 117.669 119.914 0.011 0.000 3.661 181 V HA 0.131 4.252 4.120 0.001 0.000 0.271 181 V C 1.540 177.619 176.094 -0.025 0.000 1.315 181 V CA 0.188 62.485 62.300 -0.005 0.000 1.072 181 V CB -0.220 31.607 31.823 0.008 0.000 0.830 181 V HN 0.109 nan 8.190 nan 0.000 0.443 182 L N -0.227 120.986 121.223 -0.017 0.000 2.276 182 L HA 0.359 4.699 4.340 0.001 0.000 0.194 182 L C 1.058 177.917 176.870 -0.018 0.000 1.099 182 L CA 0.294 55.117 54.840 -0.029 0.000 0.800 182 L CB -0.094 41.954 42.059 -0.018 0.000 0.994 182 L HN 0.164 nan 8.230 nan 0.000 0.475 183 L N 1.482 122.704 121.223 -0.002 0.000 2.573 183 L HA -0.101 4.240 4.340 0.001 0.000 0.290 183 L C 0.838 177.697 176.870 -0.020 0.000 1.247 183 L CA 0.339 55.177 54.840 -0.003 0.000 0.876 183 L CB -0.019 42.039 42.059 -0.002 0.000 1.123 183 L HN 0.266 nan 8.230 nan 0.000 0.505 184 R N 3.161 123.649 120.500 -0.020 0.000 2.340 184 R HA 0.202 4.543 4.340 0.001 0.000 0.300 184 R C 0.372 176.653 176.300 -0.031 0.000 1.069 184 R CA -0.595 55.486 56.100 -0.032 0.000 0.984 184 R CB 0.867 31.154 30.300 -0.023 0.000 1.003 184 R HN 0.603 nan 8.270 nan 0.000 0.459 185 R N 2.782 123.261 120.500 -0.034 0.000 2.040 185 R HA 0.135 4.476 4.340 0.001 0.000 0.209 185 R C 0.126 176.414 176.300 -0.020 0.000 1.281 185 R CA 0.695 56.777 56.100 -0.029 0.000 1.064 185 R CB -0.371 29.910 30.300 -0.031 0.000 0.950 185 R HN 0.667 nan 8.270 nan 0.000 0.462 186 E N 0.838 121.027 120.200 -0.019 0.000 2.187 186 E HA 0.176 4.527 4.350 0.001 0.000 0.268 186 E C -1.320 175.292 176.600 0.020 0.000 0.896 186 E CA -0.787 55.617 56.400 0.008 0.000 0.766 186 E CB 1.252 30.950 29.700 -0.004 0.000 1.142 186 E HN -0.046 nan 8.360 nan 0.000 0.408 187 F N 5.865 125.769 119.950 -0.077 0.000 2.569 187 F HA 0.097 4.625 4.527 0.001 0.000 0.395 187 F C -0.662 175.091 175.800 -0.078 0.000 1.028 187 F CA 0.292 58.243 58.000 -0.081 0.000 1.158 187 F CB 0.137 39.081 39.000 -0.092 0.000 1.023 187 F HN 0.323 nan 8.300 nan 0.000 0.547 188 I N 9.207 129.324 120.570 -0.755 0.000 2.336 188 I HA 0.323 4.494 4.170 0.001 0.000 0.292 188 I C -2.036 173.450 176.117 -1.051 0.000 0.991 188 I CA -2.103 58.833 61.300 -0.606 0.000 1.227 188 I CB 1.303 39.071 38.000 -0.387 0.000 1.366 188 I HN 0.466 nan 8.210 nan 0.000 0.466 189 P HA 0.131 nan 4.420 nan 0.000 0.278 189 P C -1.188 175.939 177.300 -0.288 0.000 1.266 189 P CA -0.431 62.456 63.100 -0.355 0.000 0.807 189 P CB 1.098 32.846 31.700 0.080 0.000 1.094 190 D N 1.362 121.628 120.400 -0.223 0.000 2.317 190 D HA 0.092 4.733 4.640 0.001 0.000 0.252 190 D C -1.279 174.896 176.300 -0.208 0.000 1.174 190 D CA -2.221 51.623 54.000 -0.259 0.000 0.866 190 D CB 0.399 41.019 40.800 -0.299 0.000 1.127 190 D HN 0.157 nan 8.370 nan 0.000 0.467 191 P HA -0.113 nan 4.420 nan 0.000 0.239 191 P C 0.566 177.753 177.300 -0.189 0.000 1.184 191 P CA 0.818 63.813 63.100 -0.175 0.000 0.760 191 P CB 0.370 31.968 31.700 -0.170 0.000 0.884 192 Q N -1.155 118.496 119.800 -0.248 0.000 2.402 192 Q HA 0.177 4.517 4.340 0.001 0.000 0.206 192 Q C 1.333 177.202 176.000 -0.218 0.000 0.919 192 Q CA 0.771 56.403 55.803 -0.286 0.000 0.923 192 Q CB 0.106 28.593 28.738 -0.418 0.000 1.048 192 Q HN 0.304 nan 8.270 nan 0.000 0.515 193 G N 1.013 109.722 108.800 -0.152 0.000 2.176 193 G HA2 -0.229 3.732 3.960 0.001 0.000 0.232 193 G HA3 -0.229 3.732 3.960 0.001 0.000 0.232 193 G C 0.078 174.961 174.900 -0.029 0.000 0.986 193 G CA 0.132 45.199 45.100 -0.056 0.000 0.643 193 G HN 0.236 nan 8.290 nan 0.000 0.522 194 S N 2.080 117.692 115.700 -0.147 0.000 2.811 194 S HA 0.265 4.736 4.470 0.001 0.000 0.325 194 S C 1.168 175.643 174.600 -0.209 0.000 1.224 194 S CA 0.620 58.584 58.200 -0.393 0.000 1.125 194 S CB 0.214 62.907 63.200 -0.844 0.000 0.867 194 S HN 0.896 nan 8.310 nan 0.000 0.512 195 N N 3.099 121.751 118.700 -0.080 0.000 2.465 195 N HA 0.264 5.004 4.740 0.001 0.000 0.294 195 N C 0.809 176.345 175.510 0.044 0.000 1.333 195 N CA -0.521 52.539 53.050 0.017 0.000 0.932 195 N CB -0.202 38.333 38.487 0.078 0.000 1.092 195 N HN 0.297 nan 8.380 nan 0.000 0.519 196 M N -1.332 118.287 119.600 0.031 0.000 2.435 196 M HA 0.276 4.757 4.480 0.001 0.000 0.265 196 M C 1.811 178.183 176.300 0.121 0.000 1.104 196 M CA 0.777 55.990 55.300 -0.146 0.000 1.140 196 M CB -1.018 31.232 32.600 -0.583 0.000 1.372 196 M HN 0.630 nan 8.290 nan 0.000 0.456 197 M N -0.924 118.889 119.600 0.356 0.000 2.117 197 M HA -0.188 4.292 4.480 0.001 0.000 0.262 197 M C 1.827 178.569 176.300 0.737 0.000 1.065 197 M CA 1.673 57.297 55.300 0.541 0.000 1.114 197 M CB -0.498 32.363 32.600 0.436 0.000 1.361 197 M HN 0.281 nan 8.290 nan 0.000 0.408 198 F N 0.270 120.457 119.950 0.395 0.000 2.039 198 F HA -0.025 4.503 4.527 0.001 0.000 0.294 198 F C 2.184 178.092 175.800 0.180 0.000 1.130 198 F CA 1.707 59.787 58.000 0.134 0.000 1.189 198 F CB -1.196 37.737 39.000 -0.112 0.000 0.983 198 F HN 0.137 nan 8.300 nan 0.000 0.471 199 A N 0.356 123.571 122.820 0.658 0.000 1.915 199 A HA -0.271 4.050 4.320 0.001 0.000 0.220 199 A C 2.141 179.861 177.584 0.226 0.000 1.198 199 A CA 2.290 54.547 52.037 0.365 0.000 0.647 199 A CB -1.675 17.374 19.000 0.080 0.000 0.825 199 A HN 0.492 nan 8.150 nan 0.000 0.456 200 F N -1.896 118.239 119.950 0.307 0.000 2.259 200 F HA 0.019 4.546 4.527 0.001 0.000 0.298 200 F C 1.945 178.007 175.800 0.437 0.000 1.088 200 F CA 0.385 58.562 58.000 0.295 0.000 1.358 200 F CB -0.979 38.167 39.000 0.244 0.000 1.040 200 F HN 0.334 nan 8.300 nan 0.000 0.505 201 F N 0.836 121.173 119.950 0.645 0.000 2.069 201 F HA -0.205 4.323 4.527 0.001 0.000 0.298 201 F C 2.409 178.303 175.800 0.156 0.000 1.113 201 F CA 1.742 59.880 58.000 0.231 0.000 1.214 201 F CB -0.635 38.405 39.000 0.067 0.000 0.978 201 F HN -0.089 nan 8.300 nan 0.000 0.474 202 A N -0.592 122.462 122.820 0.389 0.000 2.070 202 A HA -0.239 4.082 4.320 0.001 0.000 0.220 202 A C 2.152 179.879 177.584 0.238 0.000 1.159 202 A CA 1.720 53.996 52.037 0.400 0.000 0.656 202 A CB -0.880 18.345 19.000 0.375 0.000 0.800 202 A HN 0.657 nan 8.150 nan 0.000 0.453 203 Q N -1.312 118.596 119.800 0.180 0.000 2.033 203 Q HA -0.207 4.134 4.340 0.001 0.000 0.196 203 Q C 2.036 177.963 176.000 -0.121 0.000 0.970 203 Q CA 1.628 57.411 55.803 -0.032 0.000 0.828 203 Q CB -0.294 28.431 28.738 -0.022 0.000 0.895 203 Q HN 0.822 nan 8.270 nan 0.000 0.440 204 H N -0.104 118.844 119.070 -0.203 0.000 2.251 204 H HA -0.208 4.349 4.556 0.001 0.000 0.294 204 H C 1.678 176.995 175.328 -0.018 0.000 1.078 204 H CA 2.348 58.246 56.048 -0.250 0.000 1.246 204 H CB -0.759 28.802 29.762 -0.334 0.000 1.358 204 H HN 0.350 nan 8.280 nan 0.000 0.488 205 F N 1.287 121.052 119.950 -0.309 0.000 2.015 205 F HA -0.307 4.221 4.527 0.001 0.000 0.297 205 F C 2.829 178.252 175.800 -0.628 0.000 1.141 205 F CA 3.036 60.771 58.000 -0.441 0.000 1.192 205 F CB -1.299 37.396 39.000 -0.508 0.000 0.957 205 F HN 0.397 nan 8.300 nan 0.000 0.491 206 T N -2.596 111.502 114.554 -0.760 0.000 2.946 206 T HA -0.241 4.110 4.350 0.001 0.000 0.271 206 T C 1.418 175.459 174.700 -1.098 0.000 1.104 206 T CA 1.750 62.946 62.100 -1.506 0.000 1.114 206 T CB -1.004 67.370 68.868 -0.824 0.000 0.867 206 T HN 0.470 nan 8.240 nan 0.000 0.513 207 H N 1.485 120.232 119.070 -0.538 0.000 2.553 207 H HA 0.155 4.712 4.556 0.001 0.000 0.269 207 H C 2.331 177.508 175.328 -0.252 0.000 1.011 207 H CA 0.842 56.776 56.048 -0.189 0.000 1.150 207 H CB -0.138 29.760 29.762 0.227 0.000 1.339 207 H HN 0.796 nan 8.280 nan 0.000 0.604 208 Q N -0.476 119.023 119.800 -0.502 0.000 2.324 208 Q HA -0.027 4.314 4.340 0.001 0.000 0.207 208 Q C 1.002 176.763 176.000 -0.398 0.000 0.928 208 Q CA 0.671 56.181 55.803 -0.489 0.000 0.890 208 Q CB -0.227 28.004 28.738 -0.846 0.000 1.001 208 Q HN 0.467 nan 8.270 nan 0.000 0.517 209 F N -0.900 118.691 119.950 -0.599 0.000 2.619 209 F HA 0.397 4.924 4.527 0.001 0.000 0.293 209 F C 0.130 175.675 175.800 -0.424 0.000 1.119 209 F CA -0.839 56.814 58.000 -0.577 0.000 1.445 209 F CB -0.069 38.516 39.000 -0.692 0.000 1.119 209 F HN -0.202 nan 8.300 nan 0.000 0.573 210 F N 2.814 122.561 119.950 -0.338 0.000 2.350 210 F HA 0.508 5.035 4.527 0.001 0.000 0.365 210 F C 0.080 175.710 175.800 -0.283 0.000 1.122 210 F CA -1.561 56.281 58.000 -0.265 0.000 1.139 210 F CB 0.875 39.575 39.000 -0.501 0.000 1.220 210 F HN -0.066 nan 8.300 nan 0.000 0.499 211 K N 1.701 122.151 120.400 0.083 0.000 3.306 211 K HA 0.148 4.469 4.320 0.001 0.000 0.169 211 K C -0.411 176.190 176.600 0.001 0.000 1.110 211 K CA -0.328 55.947 56.287 -0.020 0.000 0.783 211 K CB 0.892 33.339 32.500 -0.088 0.000 0.958 211 K HN 0.416 nan 8.250 nan 0.000 0.581 212 T N 1.516 116.098 114.554 0.046 0.000 2.903 212 T HA -0.118 4.232 4.350 0.001 0.000 0.299 212 T C 0.246 174.761 174.700 -0.309 0.000 1.041 212 T CA 0.655 62.720 62.100 -0.057 0.000 1.138 212 T CB 0.184 68.956 68.868 -0.161 0.000 1.040 212 T HN 0.238 nan 8.240 nan 0.000 0.524 213 D N 1.307 121.617 120.400 -0.149 0.000 2.564 213 D HA 0.146 4.787 4.640 0.001 0.000 0.226 213 D C 1.018 177.246 176.300 -0.119 0.000 1.149 213 D CA -0.364 53.562 54.000 -0.124 0.000 0.994 213 D CB -0.058 40.717 40.800 -0.042 0.000 1.029 213 D HN 0.614 nan 8.370 nan 0.000 0.517 214 H N 1.232 120.344 119.070 0.069 0.000 2.426 214 H HA -0.135 4.422 4.556 0.001 0.000 0.298 214 H C 1.794 177.137 175.328 0.026 0.000 1.107 214 H CA 1.324 57.409 56.048 0.062 0.000 1.298 214 H CB 0.530 30.322 29.762 0.049 0.000 1.377 214 H HN 0.231 nan 8.280 nan 0.000 0.519 215 K N 0.694 121.136 120.400 0.071 0.000 2.147 215 K HA -0.115 4.205 4.320 0.001 0.000 0.205 215 K C 2.035 178.602 176.600 -0.055 0.000 1.049 215 K CA 1.047 57.342 56.287 0.013 0.000 0.936 215 K CB -0.122 32.368 32.500 -0.016 0.000 0.722 215 K HN 0.212 nan 8.250 nan 0.000 0.446 216 R N 0.338 120.758 120.500 -0.132 0.000 2.090 216 R HA 0.117 4.458 4.340 0.001 0.000 0.219 216 R C 0.525 176.748 176.300 -0.129 0.000 1.100 216 R CA 1.153 57.037 56.100 -0.360 0.000 0.991 216 R CB 0.333 30.130 30.300 -0.838 0.000 0.893 216 R HN 0.422 nan 8.270 nan 0.000 0.443 217 G N -1.115 107.757 108.800 0.120 0.000 2.351 217 G HA2 0.003 3.964 3.960 0.001 0.000 0.353 217 G HA3 0.003 3.964 3.960 0.001 0.000 0.353 217 G C -2.992 172.136 174.900 0.380 0.000 1.358 217 G CA -0.886 44.390 45.100 0.294 0.000 0.995 217 G HN -0.024 nan 8.290 nan 0.000 0.611 218 P HA 0.457 nan 4.420 nan 0.000 0.274 218 P C 1.045 178.475 177.300 0.217 0.000 1.237 218 P CA 1.557 64.786 63.100 0.215 0.000 0.793 218 P CB 1.290 33.057 31.700 0.112 0.000 0.977 219 G N 0.184 109.117 108.800 0.222 0.000 2.234 219 G HA2 -0.210 3.751 3.960 0.001 0.000 0.235 219 G HA3 -0.210 3.751 3.960 0.001 0.000 0.235 219 G C -0.328 174.683 174.900 0.185 0.000 0.997 219 G CA -0.417 44.765 45.100 0.136 0.000 0.623 219 G HN 0.423 nan 8.290 nan 0.000 0.514 220 F N 1.678 121.816 119.950 0.313 0.000 2.444 220 F HA 0.677 5.205 4.527 0.001 0.000 0.342 220 F C 0.659 176.381 175.800 -0.129 0.000 1.121 220 F CA -0.060 57.996 58.000 0.094 0.000 0.997 220 F CB 2.217 41.274 39.000 0.095 0.000 1.130 220 F HN 0.041 nan 8.300 nan 0.000 0.454 221 T N 2.739 117.051 114.554 -0.404 0.000 2.929 221 T HA 0.336 4.687 4.350 0.001 0.000 0.284 221 T C 0.873 175.450 174.700 -0.204 0.000 1.014 221 T CA -0.687 61.089 62.100 -0.540 0.000 1.051 221 T CB 0.968 69.223 68.868 -1.022 0.000 1.028 221 T HN 0.843 nan 8.240 nan 0.000 0.485 222 R N 1.950 122.359 120.500 -0.153 0.000 2.397 222 R HA 0.292 4.633 4.340 0.001 0.000 0.241 222 R C 0.761 176.993 176.300 -0.114 0.000 0.914 222 R CA -0.217 55.819 56.100 -0.106 0.000 1.071 222 R CB 0.056 30.302 30.300 -0.090 0.000 1.116 222 R HN 0.568 nan 8.270 nan 0.000 0.524 223 G N 1.862 110.571 108.800 -0.152 0.000 3.058 223 G HA2 0.312 4.273 3.960 0.001 0.000 0.316 223 G HA3 0.312 4.273 3.960 0.001 0.000 0.316 223 G C 0.459 175.307 174.900 -0.087 0.000 0.951 223 G CA -0.600 44.417 45.100 -0.138 0.000 1.535 223 G HN 0.141 nan 8.290 nan 0.000 0.500 224 L N 1.672 122.882 121.223 -0.022 0.000 2.549 224 L HA 0.017 4.358 4.340 0.001 0.000 0.229 224 L C 2.714 179.648 176.870 0.105 0.000 1.158 224 L CA 0.781 55.666 54.840 0.076 0.000 0.842 224 L CB 0.120 42.159 42.059 -0.033 0.000 0.952 224 L HN 0.519 nan 8.230 nan 0.000 0.452 225 G N -1.856 106.958 108.800 0.023 0.000 2.443 225 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 225 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 225 G C 0.680 175.589 174.900 0.016 0.000 1.131 225 G CA 0.192 45.275 45.100 -0.029 0.000 0.775 225 G HN 0.653 nan 8.290 nan 0.000 0.547 226 H N -0.454 118.500 119.070 -0.194 0.000 2.776 226 H HA -0.173 4.383 4.556 0.001 0.000 0.300 226 H C 1.087 176.221 175.328 -0.324 0.000 1.161 226 H CA 0.461 56.374 56.048 -0.225 0.000 1.147 226 H CB -1.344 28.295 29.762 -0.206 0.000 1.366 226 H HN 0.789 nan 8.280 nan 0.000 0.397 227 G N -1.374 107.241 108.800 -0.310 0.000 2.341 227 G HA2 0.277 4.238 3.960 0.001 0.000 0.299 227 G HA3 0.277 4.238 3.960 0.001 0.000 0.299 227 G C -0.641 173.991 174.900 -0.447 0.000 1.274 227 G CA -0.326 44.464 45.100 -0.517 0.000 0.853 227 G HN 0.148 nan 8.290 nan 0.000 0.493 228 V N 2.139 121.800 119.914 -0.422 0.000 2.180 228 V HA 0.193 4.314 4.120 0.001 0.000 0.238 228 V C 0.554 176.539 176.094 -0.180 0.000 1.337 228 V CA 1.043 63.186 62.300 -0.261 0.000 1.338 228 V CB -0.308 31.424 31.823 -0.152 0.000 1.431 228 V HN 0.731 nan 8.190 nan 0.000 0.498 229 D N 2.552 122.833 120.400 -0.198 0.000 2.402 229 D HA 0.062 4.703 4.640 0.001 0.000 0.216 229 D C 0.903 177.134 176.300 -0.114 0.000 1.128 229 D CA -0.499 53.422 54.000 -0.132 0.000 0.833 229 D CB -0.013 40.718 40.800 -0.116 0.000 0.971 229 D HN 0.335 nan 8.370 nan 0.000 0.503 230 L N 0.811 121.889 121.223 -0.242 0.000 3.851 230 L HA -0.349 3.991 4.340 0.001 0.000 0.438 230 L C 1.159 178.000 176.870 -0.049 0.000 1.171 230 L CA 0.756 55.459 54.840 -0.229 0.000 0.895 230 L CB -2.160 39.919 42.059 0.032 0.000 1.800 230 L HN 0.318 nan 8.230 nan 0.000 0.960 231 N N 0.824 119.404 118.700 -0.200 0.000 2.244 231 N HA -0.198 4.543 4.740 0.001 0.000 0.183 231 N C 1.752 177.213 175.510 -0.083 0.000 1.016 231 N CA 1.854 54.851 53.050 -0.089 0.000 0.866 231 N CB -0.355 38.046 38.487 -0.144 0.000 0.980 231 N HN 0.760 nan 8.380 nan 0.000 0.430 232 H N -1.188 117.716 119.070 -0.276 0.000 2.456 232 H HA 0.038 4.595 4.556 0.001 0.000 0.296 232 H C 1.649 176.776 175.328 -0.334 0.000 1.079 232 H CA 1.022 56.824 56.048 -0.410 0.000 1.322 232 H CB -0.137 29.318 29.762 -0.511 0.000 1.388 232 H HN 0.274 nan 8.280 nan 0.000 0.538 233 I N 0.046 120.631 120.570 0.025 0.000 2.494 233 I HA -0.150 4.021 4.170 0.001 0.000 0.250 233 I C 1.412 177.296 176.117 -0.389 0.000 1.112 233 I CA 0.656 61.770 61.300 -0.311 0.000 1.438 233 I CB -0.077 37.542 38.000 -0.635 0.000 1.111 233 I HN 0.155 nan 8.210 nan 0.000 0.431 234 Y N 1.214 121.514 120.300 -0.001 0.000 2.510 234 Y HA 0.382 4.932 4.550 0.001 0.000 0.273 234 Y C 1.202 177.095 175.900 -0.012 0.000 1.119 234 Y CA 0.249 58.356 58.100 0.011 0.000 1.286 234 Y CB -0.064 38.430 38.460 0.056 0.000 1.061 234 Y HN 0.174 nan 8.280 nan 0.000 0.542 235 G N 0.360 109.198 108.800 0.063 0.000 2.770 235 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 235 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 235 G C -0.175 174.717 174.900 -0.013 0.000 1.180 235 G CA -0.585 44.516 45.100 0.002 0.000 0.767 235 G HN 0.080 nan 8.290 nan 0.000 0.646 236 E N -0.372 119.795 120.200 -0.055 0.000 2.106 236 E HA 0.116 4.467 4.350 0.001 0.000 0.192 236 E C 1.963 178.527 176.600 -0.059 0.000 0.984 236 E CA 1.994 58.353 56.400 -0.067 0.000 0.806 236 E CB 0.016 29.667 29.700 -0.081 0.000 0.750 236 E HN 1.070 nan 8.360 nan 0.000 0.458 237 T N -2.226 112.292 114.554 -0.059 0.000 2.924 237 T HA 0.271 4.621 4.350 0.001 0.000 0.291 237 T C 0.833 175.472 174.700 -0.102 0.000 1.045 237 T CA -0.909 61.147 62.100 -0.072 0.000 1.015 237 T CB 1.349 70.178 68.868 -0.066 0.000 1.103 237 T HN -0.046 nan 8.240 nan 0.000 0.496 238 L N 0.858 121.993 121.223 -0.147 0.000 2.191 238 L HA -0.043 4.297 4.340 0.001 0.000 0.212 238 L C 1.729 178.396 176.870 -0.339 0.000 1.103 238 L CA 2.482 57.146 54.840 -0.293 0.000 0.769 238 L CB -1.207 40.691 42.059 -0.269 0.000 0.908 238 L HN 1.004 nan 8.230 nan 0.000 0.438 239 D N -0.298 120.013 120.400 -0.149 0.000 2.123 239 D HA -0.233 4.408 4.640 0.001 0.000 0.200 239 D C 2.329 178.615 176.300 -0.024 0.000 0.976 239 D CA 1.266 55.233 54.000 -0.054 0.000 0.831 239 D CB 0.050 40.835 40.800 -0.025 0.000 0.974 239 D HN 0.242 nan 8.370 nan 0.000 0.469 240 R N -0.095 120.378 120.500 -0.044 0.000 2.061 240 R HA -0.195 4.145 4.340 0.001 0.000 0.230 240 R C 2.540 178.832 176.300 -0.013 0.000 1.140 240 R CA 1.876 57.963 56.100 -0.022 0.000 0.940 240 R CB -0.385 29.896 30.300 -0.032 0.000 0.839 240 R HN 0.318 nan 8.270 nan 0.000 0.429 241 Q N -0.692 119.084 119.800 -0.040 0.000 2.217 241 Q HA -0.248 4.092 4.340 0.001 0.000 0.209 241 Q C 1.436 177.429 176.000 -0.012 0.000 0.988 241 Q CA 2.049 57.846 55.803 -0.009 0.000 0.878 241 Q CB -0.323 28.396 28.738 -0.032 0.000 0.909 241 Q HN 0.491 nan 8.270 nan 0.000 0.424 242 H N 0.423 119.463 119.070 -0.050 0.000 2.462 242 H HA 0.099 4.655 4.556 0.001 0.000 0.292 242 H C 1.403 176.691 175.328 -0.067 0.000 1.049 242 H CA 1.273 57.306 56.048 -0.024 0.000 1.334 242 H CB 0.210 30.089 29.762 0.195 0.000 1.404 242 H HN 0.390 nan 8.280 nan 0.000 0.544 243 K N 0.251 120.704 120.400 0.088 0.000 2.366 243 K HA 0.041 4.362 4.320 0.001 0.000 0.198 243 K C 1.692 178.280 176.600 -0.020 0.000 1.044 243 K CA 0.435 56.746 56.287 0.040 0.000 0.973 243 K CB 0.320 32.843 32.500 0.038 0.000 0.767 243 K HN 0.242 nan 8.250 nan 0.000 0.475 244 L N -0.097 121.102 121.223 -0.040 0.000 2.416 244 L HA 0.084 4.424 4.340 0.001 0.000 0.216 244 L C 1.283 178.091 176.870 -0.103 0.000 1.098 244 L CA -0.005 54.809 54.840 -0.045 0.000 0.840 244 L CB 0.061 42.121 42.059 0.003 0.000 0.981 244 L HN 0.018 nan 8.230 nan 0.000 0.462 245 R N 0.783 121.128 120.500 -0.259 0.000 2.441 245 R HA 0.108 4.449 4.340 0.001 0.000 0.284 245 R C 0.806 176.780 176.300 -0.544 0.000 1.070 245 R CA -0.233 55.596 56.100 -0.452 0.000 1.047 245 R CB 1.317 31.107 30.300 -0.851 0.000 1.016 245 R HN -0.033 nan 8.270 nan 0.000 0.477 246 L N 4.520 125.570 121.223 -0.289 0.000 2.341 246 L HA 0.137 4.478 4.340 0.001 0.000 0.214 246 L C -0.356 176.508 176.870 -0.009 0.000 1.115 246 L CA 0.843 55.603 54.840 -0.134 0.000 0.820 246 L CB -0.089 41.946 42.059 -0.040 0.000 0.944 246 L HN 0.747 nan 8.230 nan 0.000 0.452 247 F N 0.877 120.843 119.950 0.025 0.000 2.688 247 F HA -0.221 4.307 4.527 0.001 0.000 0.276 247 F C 0.446 176.266 175.800 0.032 0.000 1.034 247 F CA 1.296 59.293 58.000 -0.004 0.000 0.991 247 F CB -1.582 37.374 39.000 -0.073 0.000 1.119 247 F HN 0.354 nan 8.300 nan 0.000 0.837 248 K N 1.566 122.102 120.400 0.227 0.000 2.487 248 K HA 0.212 4.533 4.320 0.001 0.000 0.307 248 K C -0.101 176.614 176.600 0.191 0.000 1.160 248 K CA -0.180 56.212 56.287 0.176 0.000 1.087 248 K CB 0.660 33.238 32.500 0.130 0.000 1.390 248 K HN 0.247 nan 8.250 nan 0.000 0.453 249 D N 2.856 123.373 120.400 0.196 0.000 3.059 249 D HA -0.220 4.421 4.640 0.001 0.000 0.220 249 D C 0.700 177.158 176.300 0.264 0.000 1.169 249 D CA 1.758 55.883 54.000 0.209 0.000 0.902 249 D CB -1.065 39.840 40.800 0.175 0.000 1.116 249 D HN 1.162 nan 8.370 nan 0.000 0.417 250 G N 0.216 109.207 108.800 0.318 0.000 2.189 250 G HA2 -0.403 3.557 3.960 0.001 0.000 0.267 250 G HA3 -0.403 3.557 3.960 0.001 0.000 0.267 250 G C 0.381 175.611 174.900 0.550 0.000 0.975 250 G CA 1.068 46.444 45.100 0.459 0.000 0.644 250 G HN 0.487 nan 8.290 nan 0.000 0.537 251 K N 0.092 120.728 120.400 0.392 0.000 2.414 251 K HA 0.392 4.713 4.320 0.001 0.000 0.272 251 K C 0.676 177.470 176.600 0.323 0.000 0.993 251 K CA -0.610 55.920 56.287 0.405 0.000 0.964 251 K CB 0.608 33.293 32.500 0.308 0.000 0.925 251 K HN 0.049 nan 8.250 nan 0.000 0.487 252 L N 2.545 123.950 121.223 0.302 0.000 2.439 252 L HA 0.187 4.528 4.340 0.001 0.000 0.261 252 L C 0.451 177.388 176.870 0.111 0.000 1.153 252 L CA 0.056 54.974 54.840 0.129 0.000 0.808 252 L CB 0.917 42.997 42.059 0.036 0.000 1.126 252 L HN 0.545 nan 8.230 nan 0.000 0.460 253 K N 1.570 121.969 120.400 -0.001 0.000 2.202 253 K HA 0.356 4.677 4.320 0.001 0.000 0.264 253 K C -1.032 175.558 176.600 -0.017 0.000 1.010 253 K CA 0.052 56.282 56.287 -0.096 0.000 0.940 253 K CB 0.674 33.110 32.500 -0.108 0.000 0.983 253 K HN 0.484 nan 8.250 nan 0.000 0.475 254 Y N -1.469 118.816 120.300 -0.025 0.000 2.871 254 Y HA 0.310 4.861 4.550 0.001 0.000 0.331 254 Y C -1.998 173.873 175.900 -0.048 0.000 1.378 254 Y CA -1.242 56.828 58.100 -0.050 0.000 1.079 254 Y CB 0.675 39.109 38.460 -0.043 0.000 1.441 254 Y HN 0.628 nan 8.280 nan 0.000 0.446 255 Q N 0.385 120.397 119.800 0.353 0.000 2.418 255 Q HA 0.759 5.099 4.340 0.001 0.000 0.282 255 Q C -2.256 173.904 176.000 0.265 0.000 1.044 255 Q CA -1.300 54.642 55.803 0.232 0.000 0.813 255 Q CB 2.950 31.722 28.738 0.057 0.000 1.428 255 Q HN 0.617 nan 8.270 nan 0.000 0.402 256 V N 3.056 123.095 119.914 0.209 0.000 2.311 256 V HA 0.392 4.513 4.120 0.001 0.000 0.275 256 V C -0.327 175.863 176.094 0.159 0.000 1.022 256 V CA -0.369 62.024 62.300 0.155 0.000 0.830 256 V CB 0.702 32.597 31.823 0.120 0.000 1.012 256 V HN 0.667 nan 8.190 nan 0.000 0.452 257 I N 4.427 125.153 120.570 0.259 0.000 2.385 257 I HA 0.624 4.795 4.170 0.001 0.000 0.294 257 I C 1.344 177.581 176.117 0.199 0.000 0.988 257 I CA 0.682 62.104 61.300 0.203 0.000 1.265 257 I CB 1.479 39.563 38.000 0.140 0.000 1.388 257 I HN 0.790 nan 8.210 nan 0.000 0.480 258 G N 4.873 113.740 108.800 0.111 0.000 2.620 258 G HA2 -0.306 3.655 3.960 0.001 0.000 0.315 258 G HA3 -0.306 3.655 3.960 0.001 0.000 0.315 258 G C 0.814 175.763 174.900 0.081 0.000 1.179 258 G CA 0.382 45.536 45.100 0.090 0.000 0.971 258 G HN 0.993 nan 8.290 nan 0.000 0.544 259 G N -0.074 108.773 108.800 0.079 0.000 3.528 259 G HA2 0.518 4.479 3.960 0.001 0.000 0.266 259 G HA3 0.518 4.479 3.960 0.001 0.000 0.266 259 G C 0.189 175.098 174.900 0.014 0.000 1.004 259 G CA 0.810 45.934 45.100 0.041 0.000 0.853 259 G HN 0.581 nan 8.290 nan 0.000 0.501 260 E N 0.177 120.403 120.200 0.044 0.000 2.222 260 E HA 0.485 4.836 4.350 0.001 0.000 0.267 260 E C -0.651 175.808 176.600 -0.235 0.000 0.963 260 E CA -0.765 55.567 56.400 -0.113 0.000 0.837 260 E CB 2.607 32.214 29.700 -0.155 0.000 1.183 260 E HN -0.133 nan 8.360 nan 0.000 0.403 261 V N 2.283 121.923 119.914 -0.457 0.000 2.546 261 V HA 0.243 4.364 4.120 0.001 0.000 0.284 261 V C -0.954 174.691 176.094 -0.748 0.000 1.050 261 V CA 0.009 62.038 62.300 -0.452 0.000 0.981 261 V CB 0.066 31.587 31.823 -0.502 0.000 0.990 261 V HN 0.489 nan 8.190 nan 0.000 0.474 262 Y N 3.813 124.041 120.300 -0.119 0.000 2.588 262 Y HA 0.466 5.017 4.550 0.001 0.000 0.343 262 Y C -2.374 173.355 175.900 -0.284 0.000 1.065 262 Y CA -2.536 55.425 58.100 -0.231 0.000 1.038 262 Y CB 2.018 40.270 38.460 -0.347 0.000 1.297 262 Y HN 0.431 nan 8.280 nan 0.000 0.467 263 P HA 0.010 nan 4.420 nan 0.000 0.267 263 P C -2.531 174.587 177.300 -0.304 0.000 1.201 263 P CA -0.547 62.436 63.100 -0.194 0.000 0.775 263 P CB 0.078 31.699 31.700 -0.132 0.000 0.854 264 P HA 0.062 nan 4.420 nan 0.000 0.276 264 P C -0.536 176.729 177.300 -0.059 0.000 1.252 264 P CA -0.137 62.905 63.100 -0.097 0.000 0.802 264 P CB 0.189 31.856 31.700 -0.054 0.000 1.035 265 T N -2.180 112.362 114.554 -0.019 0.000 2.919 265 T HA 0.088 4.439 4.350 0.001 0.000 0.302 265 T C 1.488 176.227 174.700 0.064 0.000 1.031 265 T CA -0.542 61.586 62.100 0.048 0.000 1.127 265 T CB 0.002 68.893 68.868 0.038 0.000 0.952 265 T HN 0.111 nan 8.240 nan 0.000 0.540 266 V N 2.406 122.384 119.914 0.106 0.000 2.490 266 V HA -0.130 3.991 4.120 0.001 0.000 0.250 266 V C 2.816 178.946 176.094 0.059 0.000 1.061 266 V CA 1.818 64.178 62.300 0.101 0.000 1.064 266 V CB -0.761 31.151 31.823 0.147 0.000 0.670 266 V HN 0.983 nan 8.190 nan 0.000 0.461 267 K N 0.133 120.561 120.400 0.047 0.000 2.009 267 K HA -0.274 4.046 4.320 0.001 0.000 0.210 267 K C 1.926 178.539 176.600 0.022 0.000 1.049 267 K CA 2.486 58.790 56.287 0.029 0.000 0.929 267 K CB -0.295 32.218 32.500 0.021 0.000 0.714 267 K HN 0.602 nan 8.250 nan 0.000 0.440 268 D N -0.548 119.863 120.400 0.018 0.000 2.077 268 D HA -0.148 4.493 4.640 0.001 0.000 0.197 268 D C 1.852 178.158 176.300 0.010 0.000 0.983 268 D CA 2.773 56.778 54.000 0.008 0.000 0.841 268 D CB -0.274 40.523 40.800 -0.004 0.000 0.992 268 D HN 0.344 nan 8.370 nan 0.000 0.450 269 T N -3.166 111.393 114.554 0.009 0.000 2.929 269 T HA -0.165 4.186 4.350 0.001 0.000 0.271 269 T C 1.354 176.067 174.700 0.021 0.000 1.085 269 T CA 1.610 63.717 62.100 0.011 0.000 1.125 269 T CB -0.316 68.556 68.868 0.007 0.000 0.874 269 T HN 0.335 nan 8.240 nan 0.000 0.494 270 Q N -0.540 119.276 119.800 0.027 0.000 2.324 270 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 270 Q C 0.193 176.210 176.000 0.029 0.000 0.645 270 Q CA 0.816 56.636 55.803 0.028 0.000 1.377 270 Q CB -2.474 26.278 28.738 0.024 0.000 1.486 270 Q HN 0.955 nan 8.270 nan 0.000 0.796 271 V N 0.115 120.047 119.914 0.031 0.000 2.740 271 V HA 0.231 4.352 4.120 0.001 0.000 0.303 271 V C 0.423 176.534 176.094 0.029 0.000 1.054 271 V CA -0.160 62.154 62.300 0.023 0.000 1.106 271 V CB 1.295 33.128 31.823 0.015 0.000 0.957 271 V HN 0.241 nan 8.190 nan 0.000 0.486 272 E N 5.888 126.095 120.200 0.012 0.000 2.344 272 E HA 0.346 4.697 4.350 0.001 0.000 0.270 272 E C -0.372 176.224 176.600 -0.008 0.000 1.021 272 E CA -0.185 56.220 56.400 0.009 0.000 0.887 272 E CB 0.925 30.622 29.700 -0.005 0.000 0.997 272 E HN 0.625 nan 8.360 nan 0.000 0.429 273 M N 2.267 121.865 119.600 -0.003 0.000 2.619 273 M HA 0.424 4.905 4.480 0.001 0.000 0.297 273 M C -0.593 175.616 176.300 -0.152 0.000 1.229 273 M CA -0.835 54.410 55.300 -0.092 0.000 0.860 273 M CB 1.831 34.395 32.600 -0.060 0.000 1.741 273 M HN 0.412 nan 8.290 nan 0.000 0.462 274 I N 2.319 122.718 120.570 -0.285 0.000 2.301 274 I HA 0.250 4.420 4.170 0.001 0.000 0.292 274 I C -1.404 174.471 176.117 -0.403 0.000 1.046 274 I CA -0.182 60.972 61.300 -0.243 0.000 1.282 274 I CB 0.106 38.008 38.000 -0.163 0.000 1.409 274 I HN 0.408 nan 8.210 nan 0.000 0.484 275 Y N 5.931 126.170 120.300 -0.102 0.000 2.479 275 Y HA 0.395 4.945 4.550 0.001 0.000 0.338 275 Y C -2.342 173.405 175.900 -0.255 0.000 1.055 275 Y CA -2.778 55.223 58.100 -0.165 0.000 1.023 275 Y CB 1.610 40.000 38.460 -0.117 0.000 1.287 275 Y HN 0.424 nan 8.280 nan 0.000 0.447 276 P HA 0.089 nan 4.420 nan 0.000 0.267 276 P C -1.849 175.229 177.300 -0.370 0.000 1.205 276 P CA -0.972 61.862 63.100 -0.444 0.000 0.765 276 P CB 0.587 31.765 31.700 -0.871 0.000 0.828 277 P HA -0.259 nan 4.420 nan 0.000 0.218 277 P C 1.157 178.425 177.300 -0.054 0.000 1.146 277 P CA 1.707 64.756 63.100 -0.086 0.000 0.820 277 P CB -0.432 31.256 31.700 -0.020 0.000 0.778 278 H N -1.267 117.798 119.070 -0.008 0.000 2.524 278 H HA 0.055 4.611 4.556 0.001 0.000 0.282 278 H C 0.959 176.277 175.328 -0.016 0.000 1.016 278 H CA -0.142 55.907 56.048 0.001 0.000 1.270 278 H CB -0.609 29.168 29.762 0.025 0.000 1.394 278 H HN 0.067 nan 8.280 nan 0.000 0.568 279 I N 4.222 124.687 120.570 -0.175 0.000 2.710 279 I HA -0.038 4.133 4.170 0.001 0.000 0.286 279 I C -1.146 174.910 176.117 -0.102 0.000 1.181 279 I CA -1.169 60.042 61.300 -0.148 0.000 1.430 279 I CB 0.566 38.389 38.000 -0.294 0.000 1.367 279 I HN 0.151 nan 8.210 nan 0.000 0.577 280 P HA -0.035 nan 4.420 nan 0.000 0.253 280 P C 0.484 177.739 177.300 -0.075 0.000 1.281 280 P CA 0.340 63.406 63.100 -0.058 0.000 0.792 280 P CB 0.485 32.160 31.700 -0.042 0.000 1.193 281 E N 1.056 121.182 120.200 -0.124 0.000 4.986 281 E HA -0.314 4.037 4.350 0.001 0.000 0.189 281 E C -0.065 176.484 176.600 -0.084 0.000 1.463 281 E CA 1.098 57.438 56.400 -0.101 0.000 2.419 281 E CB -1.575 28.099 29.700 -0.044 0.000 2.049 281 E HN 0.113 nan 8.360 nan 0.000 0.476 282 N N -1.677 117.007 118.700 -0.026 0.000 2.758 282 N HA -0.248 4.493 4.740 0.001 0.000 0.245 282 N C 0.751 176.291 175.510 0.050 0.000 1.059 282 N CA 2.229 55.285 53.050 0.010 0.000 0.900 282 N CB -1.221 37.263 38.487 -0.005 0.000 1.145 282 N HN 0.460 nan 8.380 nan 0.000 0.590 283 L N -1.109 120.098 121.223 -0.026 0.000 3.689 283 L HA 0.130 4.471 4.340 0.001 0.000 0.344 283 L C -0.142 176.528 176.870 -0.332 0.000 1.221 283 L CA -0.188 54.571 54.840 -0.135 0.000 1.171 283 L CB 0.401 42.265 42.059 -0.325 0.000 1.540 283 L HN -0.005 nan 8.230 nan 0.000 0.631 284 Q N 1.660 121.304 119.800 -0.260 0.000 2.664 284 Q HA 0.213 4.554 4.340 0.001 0.000 0.223 284 Q C -0.758 175.406 176.000 0.273 0.000 1.298 284 Q CA -0.287 55.188 55.803 -0.546 0.000 0.965 284 Q CB 0.204 28.739 28.738 -0.339 0.000 1.510 284 Q HN 0.040 nan 8.270 nan 0.000 0.567 285 F N 0.677 120.693 119.950 0.110 0.000 2.572 285 F HA 0.002 4.530 4.527 0.001 0.000 0.370 285 F C 1.286 177.225 175.800 0.233 0.000 1.103 285 F CA -0.441 57.664 58.000 0.176 0.000 1.286 285 F CB 0.253 39.344 39.000 0.152 0.000 1.105 285 F HN 0.484 nan 8.300 nan 0.000 0.583 286 A N 3.711 126.686 122.820 0.258 0.000 1.832 286 A HA 0.103 4.424 4.320 0.001 0.000 0.214 286 A C 2.061 179.711 177.584 0.109 0.000 1.204 286 A CA 2.814 54.943 52.037 0.152 0.000 0.606 286 A CB -0.978 18.066 19.000 0.074 0.000 0.849 286 A HN 1.475 nan 8.150 nan 0.000 0.445 287 V N -4.020 115.947 119.914 0.089 0.000 0.540 287 V HA -0.357 3.764 4.120 0.001 0.000 0.092 287 V C 1.929 178.013 176.094 -0.017 0.000 2.123 287 V CA 2.756 65.094 62.300 0.063 0.000 3.520 287 V CB -1.793 30.119 31.823 0.147 0.000 0.812 287 V HN 2.499 nan 8.190 nan 0.000 0.847 288 G N -0.625 108.144 108.800 -0.051 0.000 2.198 288 G HA2 0.086 4.047 3.960 0.001 0.000 0.156 288 G HA3 0.086 4.047 3.960 0.001 0.000 0.156 288 G C -0.127 174.658 174.900 -0.192 0.000 1.012 288 G CA 0.538 45.580 45.100 -0.097 0.000 0.692 288 G HN 1.606 nan 8.290 nan 0.000 0.492 289 Q N 0.996 120.621 119.800 -0.290 0.000 2.650 289 Q HA 0.244 4.585 4.340 0.001 0.000 0.239 289 Q C 1.397 177.197 176.000 -0.334 0.000 0.893 289 Q CA 0.266 55.781 55.803 -0.480 0.000 0.755 289 Q CB 0.811 28.838 28.738 -1.184 0.000 1.349 289 Q HN 0.702 nan 8.270 nan 0.000 0.461 290 E N 0.710 120.790 120.200 -0.199 0.000 2.200 290 E HA -0.263 4.088 4.350 0.001 0.000 0.211 290 E C 1.165 177.682 176.600 -0.139 0.000 1.048 290 E CA 1.871 58.183 56.400 -0.146 0.000 0.851 290 E CB -0.175 29.462 29.700 -0.106 0.000 0.747 290 E HN 0.291 nan 8.360 nan 0.000 0.462 291 V N 0.242 120.121 119.914 -0.057 0.000 2.871 291 V HA -0.123 3.998 4.120 0.001 0.000 0.256 291 V C 1.346 177.566 176.094 0.210 0.000 1.082 291 V CA 0.869 63.211 62.300 0.070 0.000 1.105 291 V CB -0.615 31.314 31.823 0.176 0.000 0.713 291 V HN 0.211 nan 8.190 nan 0.000 0.473 292 F N 1.278 121.191 119.950 -0.062 0.000 2.667 292 F HA 0.051 4.578 4.527 0.001 0.000 0.295 292 F C 2.016 177.761 175.800 -0.092 0.000 1.185 292 F CA 0.686 58.656 58.000 -0.050 0.000 1.479 292 F CB -1.441 37.560 39.000 0.002 0.000 1.116 292 F HN 0.291 nan 8.300 nan 0.000 0.606 293 G N -0.755 108.023 108.800 -0.035 0.000 3.371 293 G HA2 0.260 4.221 3.960 0.001 0.000 0.248 293 G HA3 0.260 4.221 3.960 0.001 0.000 0.248 293 G C 0.939 175.857 174.900 0.031 0.000 1.161 293 G CA -0.107 44.925 45.100 -0.114 0.000 0.796 293 G HN 0.351 nan 8.290 nan 0.000 0.539 294 L N 0.384 121.623 121.223 0.027 0.000 3.066 294 L HA 0.436 4.776 4.340 0.001 0.000 0.265 294 L C -0.527 176.318 176.870 -0.041 0.000 1.232 294 L CA -0.040 54.882 54.840 0.138 0.000 1.031 294 L CB 1.137 43.338 42.059 0.237 0.000 1.379 294 L HN -0.100 nan 8.230 nan 0.000 0.563 295 V N -0.159 119.623 119.914 -0.221 0.000 2.822 295 V HA 0.121 4.242 4.120 0.001 0.000 0.275 295 V C -2.006 173.711 176.094 -0.629 0.000 1.267 295 V CA -0.479 61.538 62.300 -0.472 0.000 0.933 295 V CB 2.603 34.224 31.823 -0.338 0.000 1.082 295 V HN -0.091 nan 8.190 nan 0.000 0.465 296 P HA -0.087 nan 4.420 nan 0.000 0.227 296 P C 1.448 178.417 177.300 -0.552 0.000 1.145 296 P CA 1.533 64.246 63.100 -0.646 0.000 0.769 296 P CB 0.289 31.587 31.700 -0.670 0.000 0.769 297 G N -1.212 107.034 108.800 -0.923 0.000 2.430 297 G HA2 -0.137 3.824 3.960 0.001 0.000 0.216 297 G HA3 -0.137 3.824 3.960 0.001 0.000 0.216 297 G C 1.213 175.595 174.900 -0.864 0.000 1.146 297 G CA 0.313 44.537 45.100 -1.460 0.000 0.793 297 G HN 0.124 nan 8.290 nan 0.000 0.537 298 L N 0.051 120.852 121.223 -0.705 0.000 2.022 298 L HA 0.228 4.568 4.340 0.001 0.000 0.204 298 L C 2.705 179.332 176.870 -0.404 0.000 1.076 298 L CA 1.486 55.969 54.840 -0.595 0.000 0.749 298 L CB -1.293 40.315 42.059 -0.753 0.000 0.903 298 L HN 0.242 nan 8.230 nan 0.000 0.439 299 M N -0.959 118.475 119.600 -0.276 0.000 2.331 299 M HA -0.263 4.218 4.480 0.001 0.000 0.260 299 M C 2.132 178.357 176.300 -0.124 0.000 1.072 299 M CA 1.520 56.762 55.300 -0.097 0.000 1.065 299 M CB -0.370 32.197 32.600 -0.055 0.000 1.392 299 M HN 0.281 nan 8.290 nan 0.000 0.427 300 M N -1.489 117.954 119.600 -0.262 0.000 2.077 300 M HA -0.230 4.251 4.480 0.001 0.000 0.261 300 M C 1.680 177.883 176.300 -0.162 0.000 1.070 300 M CA 1.860 56.987 55.300 -0.289 0.000 1.125 300 M CB -0.417 31.962 32.600 -0.368 0.000 1.339 300 M HN 0.273 nan 8.290 nan 0.000 0.409 301 Y N 0.585 120.734 120.300 -0.253 0.000 2.181 301 Y HA -0.061 4.490 4.550 0.001 0.000 0.288 301 Y C 2.698 178.485 175.900 -0.189 0.000 1.146 301 Y CA 1.395 59.325 58.100 -0.283 0.000 1.164 301 Y CB -1.216 36.896 38.460 -0.581 0.000 0.982 301 Y HN 0.408 nan 8.280 nan 0.000 0.515 302 A N -1.201 121.586 122.820 -0.057 0.000 2.131 302 A HA -0.159 4.162 4.320 0.001 0.000 0.220 302 A C 2.145 179.820 177.584 0.151 0.000 1.158 302 A CA 2.156 54.294 52.037 0.168 0.000 0.665 302 A CB -0.847 18.304 19.000 0.252 0.000 0.795 302 A HN 0.428 nan 8.150 nan 0.000 0.460 303 T N -0.696 113.906 114.554 0.080 0.000 3.040 303 T HA 0.178 4.529 4.350 0.001 0.000 0.252 303 T C 1.685 176.383 174.700 -0.003 0.000 1.064 303 T CA 0.625 62.742 62.100 0.029 0.000 1.110 303 T CB -0.164 68.703 68.868 -0.002 0.000 0.921 303 T HN 0.411 nan 8.240 nan 0.000 0.480 304 I N -0.332 120.245 120.570 0.010 0.000 2.252 304 I HA -0.125 4.045 4.170 0.001 0.000 0.245 304 I C 2.053 178.163 176.117 -0.012 0.000 1.102 304 I CA 1.455 62.726 61.300 -0.048 0.000 1.385 304 I CB -0.200 37.766 38.000 -0.057 0.000 1.064 304 I HN 0.316 nan 8.210 nan 0.000 0.414 305 W N 0.620 121.956 121.300 0.060 0.000 2.436 305 W HA -0.075 4.586 4.660 0.001 0.000 0.284 305 W C 2.446 178.987 176.519 0.037 0.000 1.225 305 W CA 0.429 57.812 57.345 0.062 0.000 1.271 305 W CB -0.194 29.308 29.460 0.070 0.000 1.114 305 W HN 0.100 nan 8.180 nan 0.000 0.559 306 L N 0.940 122.297 121.223 0.223 0.000 2.012 306 L HA -0.225 4.115 4.340 0.001 0.000 0.210 306 L C 2.468 179.414 176.870 0.128 0.000 1.073 306 L CA 1.820 56.738 54.840 0.130 0.000 0.748 306 L CB -0.375 41.724 42.059 0.066 0.000 0.891 306 L HN -0.068 nan 8.230 nan 0.000 0.431 307 R N -0.268 120.258 120.500 0.042 0.000 2.105 307 R HA -0.234 4.107 4.340 0.001 0.000 0.239 307 R C 2.195 178.513 176.300 0.031 0.000 1.135 307 R CA 1.649 57.732 56.100 -0.029 0.000 0.967 307 R CB -0.330 29.907 30.300 -0.106 0.000 0.861 307 R HN 0.388 nan 8.270 nan 0.000 0.442 308 E N -0.125 120.126 120.200 0.084 0.000 2.274 308 E HA -0.175 4.176 4.350 0.001 0.000 0.194 308 E C 1.486 178.190 176.600 0.173 0.000 0.996 308 E CA 1.213 57.676 56.400 0.105 0.000 0.840 308 E CB -0.031 29.729 29.700 0.099 0.000 0.772 308 E HN 0.421 nan 8.360 nan 0.000 0.491 309 H N -0.061 119.106 119.070 0.161 0.000 2.267 309 H HA -0.054 4.503 4.556 0.001 0.000 0.302 309 H C 1.834 177.241 175.328 0.131 0.000 1.056 309 H CA 2.354 58.501 56.048 0.165 0.000 1.269 309 H CB -0.186 29.670 29.762 0.156 0.000 1.385 309 H HN 0.033 nan 8.280 nan 0.000 0.501 310 Q N 0.307 120.238 119.800 0.218 0.000 2.242 310 Q HA -0.219 4.122 4.340 0.001 0.000 0.211 310 Q C 2.430 178.461 176.000 0.052 0.000 0.992 310 Q CA 1.900 57.792 55.803 0.149 0.000 0.889 310 Q CB -0.303 28.517 28.738 0.137 0.000 0.913 310 Q HN 0.401 nan 8.270 nan 0.000 0.422 311 R N -0.563 119.955 120.500 0.029 0.000 2.070 311 R HA -0.132 4.209 4.340 0.001 0.000 0.232 311 R C 1.999 178.303 176.300 0.005 0.000 1.138 311 R CA 1.650 57.755 56.100 0.009 0.000 0.936 311 R CB -0.360 29.942 30.300 0.004 0.000 0.839 311 R HN 0.202 nan 8.270 nan 0.000 0.429 312 V N 0.421 120.332 119.914 -0.005 0.000 2.407 312 V HA -0.333 3.788 4.120 0.001 0.000 0.248 312 V C 2.552 178.643 176.094 -0.005 0.000 1.055 312 V CA 1.682 63.981 62.300 -0.002 0.000 1.049 312 V CB -0.393 31.433 31.823 0.005 0.000 0.662 312 V HN 0.563 nan 8.190 nan 0.000 0.455 313 C N 0.053 119.332 119.300 -0.035 0.000 2.418 313 C HA -0.200 4.260 4.460 0.001 0.000 0.280 313 C C 2.544 177.570 174.990 0.059 0.000 1.223 313 C CA 1.264 60.301 59.018 0.033 0.000 1.736 313 C CB -1.119 26.664 27.740 0.071 0.000 2.056 313 C HN 0.597 nan 8.230 nan 0.000 0.459 314 D N 0.476 120.907 120.400 0.051 0.000 2.239 314 D HA -0.116 4.525 4.640 0.001 0.000 0.202 314 D C 1.830 178.137 176.300 0.012 0.000 0.993 314 D CA 1.171 55.195 54.000 0.040 0.000 0.874 314 D CB -0.365 40.455 40.800 0.033 0.000 0.922 314 D HN 0.543 nan 8.370 nan 0.000 0.464 315 I N -0.222 120.349 120.570 0.002 0.000 2.193 315 I HA -0.214 3.956 4.170 0.001 0.000 0.240 315 I C 2.107 178.188 176.117 -0.060 0.000 1.084 315 I CA 0.330 61.616 61.300 -0.024 0.000 1.365 315 I CB -0.083 37.910 38.000 -0.012 0.000 1.064 315 I HN -0.015 nan 8.210 nan 0.000 0.410 316 L N 1.136 122.339 121.223 -0.034 0.000 1.994 316 L HA -0.225 4.115 4.340 0.001 0.000 0.208 316 L C 2.481 179.281 176.870 -0.116 0.000 1.071 316 L CA 1.798 56.585 54.840 -0.088 0.000 0.745 316 L CB -1.084 41.020 42.059 0.074 0.000 0.892 316 L HN 0.202 nan 8.230 nan 0.000 0.431 317 K N -0.962 119.445 120.400 0.012 0.000 2.211 317 K HA -0.243 4.078 4.320 0.001 0.000 0.204 317 K C 2.089 178.674 176.600 -0.026 0.000 1.047 317 K CA 1.186 57.498 56.287 0.041 0.000 0.935 317 K CB 0.068 32.625 32.500 0.095 0.000 0.728 317 K HN 0.283 nan 8.250 nan 0.000 0.452 318 Q N 1.422 121.183 119.800 -0.064 0.000 1.946 318 Q HA -0.143 4.197 4.340 0.001 0.000 0.199 318 Q C 1.701 177.610 176.000 -0.151 0.000 0.979 318 Q CA 1.585 57.342 55.803 -0.078 0.000 0.834 318 Q CB -0.352 28.343 28.738 -0.073 0.000 0.899 318 Q HN 0.254 nan 8.270 nan 0.000 0.431 319 E N 0.305 120.354 120.200 -0.252 0.000 2.253 319 E HA -0.191 4.160 4.350 0.001 0.000 0.202 319 E C 0.184 176.412 176.600 -0.620 0.000 1.014 319 E CA 1.122 57.257 56.400 -0.442 0.000 0.823 319 E CB -0.217 29.123 29.700 -0.600 0.000 0.736 319 E HN 0.513 nan 8.360 nan 0.000 0.478 320 H N -1.245 117.606 119.070 -0.365 0.000 2.423 320 H HA 0.149 4.706 4.556 0.001 0.000 0.237 320 H C -1.846 173.369 175.328 -0.188 0.000 1.391 320 H CA -1.620 54.147 56.048 -0.468 0.000 1.453 320 H CB 1.265 30.239 29.762 -1.314 0.000 1.484 320 H HN -0.034 nan 8.280 nan 0.000 0.505 321 P HA -0.201 nan 4.420 nan 0.000 0.221 321 P C 0.740 178.105 177.300 0.107 0.000 1.145 321 P CA 1.134 64.266 63.100 0.052 0.000 0.795 321 P CB 0.298 32.017 31.700 0.032 0.000 0.775 322 E N -3.342 116.944 120.200 0.143 0.000 2.463 322 E HA 0.020 4.371 4.350 0.001 0.000 0.193 322 E C 0.067 176.868 176.600 0.335 0.000 1.041 322 E CA -0.206 56.310 56.400 0.194 0.000 0.879 322 E CB -0.639 29.163 29.700 0.171 0.000 0.997 322 E HN 0.180 nan 8.360 nan 0.000 0.478 323 W N 1.180 122.523 121.300 0.070 0.000 2.253 323 W HA 0.693 5.353 4.660 0.001 0.000 0.348 323 W C 0.940 177.494 176.519 0.058 0.000 1.229 323 W CA -0.891 56.479 57.345 0.042 0.000 1.335 323 W CB 0.868 30.364 29.460 0.060 0.000 1.165 323 W HN 0.041 nan 8.180 nan 0.000 0.631 324 G N 0.215 109.150 108.800 0.225 0.000 2.537 324 G HA2 0.239 4.199 3.960 0.001 0.000 0.323 324 G HA3 0.239 4.199 3.960 0.001 0.000 0.323 324 G C 0.168 175.171 174.900 0.171 0.000 1.207 324 G CA -0.267 44.922 45.100 0.149 0.000 0.976 324 G HN 0.458 nan 8.290 nan 0.000 0.487 325 D N -0.358 120.141 120.400 0.164 0.000 2.205 325 D HA -0.234 4.407 4.640 0.001 0.000 0.190 325 D C 1.882 178.327 176.300 0.240 0.000 1.002 325 D CA 1.981 56.110 54.000 0.215 0.000 0.848 325 D CB 0.140 41.063 40.800 0.206 0.000 0.975 325 D HN 0.373 nan 8.370 nan 0.000 0.449 326 E N -0.402 119.895 120.200 0.162 0.000 2.219 326 E HA -0.238 4.113 4.350 0.001 0.000 0.198 326 E C 2.023 178.707 176.600 0.140 0.000 0.998 326 E CA 0.908 57.398 56.400 0.150 0.000 0.818 326 E CB -0.168 29.564 29.700 0.053 0.000 0.741 326 E HN 0.587 nan 8.360 nan 0.000 0.477 327 Q N 0.040 119.855 119.800 0.026 0.000 2.123 327 Q HA -0.051 4.289 4.340 0.001 0.000 0.196 327 Q C 2.466 178.483 176.000 0.028 0.000 0.958 327 Q CA 0.367 56.070 55.803 -0.165 0.000 0.841 327 Q CB 0.091 28.477 28.738 -0.587 0.000 0.915 327 Q HN 0.222 nan 8.270 nan 0.000 0.455 328 L N 0.167 121.559 121.223 0.281 0.000 1.990 328 L HA -0.219 4.122 4.340 0.001 0.000 0.213 328 L C 2.341 179.417 176.870 0.344 0.000 1.072 328 L CA 1.589 56.700 54.840 0.452 0.000 0.755 328 L CB -0.616 41.687 42.059 0.407 0.000 0.889 328 L HN 0.311 nan 8.230 nan 0.000 0.432 329 F N 0.661 120.745 119.950 0.223 0.000 2.011 329 F HA -0.326 4.202 4.527 0.001 0.000 0.296 329 F C 2.811 178.714 175.800 0.171 0.000 1.144 329 F CA 1.818 59.967 58.000 0.248 0.000 1.185 329 F CB -0.396 38.730 39.000 0.210 0.000 0.961 329 F HN 0.058 nan 8.300 nan 0.000 0.485 330 Q N 0.012 120.064 119.800 0.420 0.000 2.217 330 Q HA -0.192 4.149 4.340 0.001 0.000 0.209 330 Q C 2.131 178.193 176.000 0.103 0.000 0.988 330 Q CA 2.332 58.266 55.803 0.218 0.000 0.878 330 Q CB -1.218 27.621 28.738 0.167 0.000 0.909 330 Q HN 0.537 nan 8.270 nan 0.000 0.424 331 T N -0.139 114.502 114.554 0.144 0.000 2.851 331 T HA -0.018 4.333 4.350 0.001 0.000 0.262 331 T C 2.153 176.982 174.700 0.215 0.000 1.043 331 T CA 1.075 63.313 62.100 0.230 0.000 1.140 331 T CB -0.123 68.999 68.868 0.424 0.000 0.872 331 T HN 0.160 nan 8.240 nan 0.000 0.446 332 S N 1.568 117.333 115.700 0.108 0.000 2.354 332 S HA -0.143 4.328 4.470 0.001 0.000 0.219 332 S C 2.006 176.641 174.600 0.059 0.000 1.035 332 S CA 1.464 59.666 58.200 0.004 0.000 1.037 332 S CB -0.396 62.611 63.200 -0.320 0.000 0.956 332 S HN 0.538 nan 8.310 nan 0.000 0.428 333 K N 0.821 121.188 120.400 -0.056 0.000 2.242 333 K HA -0.154 4.167 4.320 0.001 0.000 0.206 333 K C 1.819 178.471 176.600 0.087 0.000 1.045 333 K CA 1.129 57.364 56.287 -0.086 0.000 0.930 333 K CB -0.241 31.923 32.500 -0.561 0.000 0.726 333 K HN 0.312 nan 8.250 nan 0.000 0.462 334 L N 0.140 121.464 121.223 0.169 0.000 2.102 334 L HA -0.077 4.264 4.340 0.001 0.000 0.202 334 L C 2.334 179.419 176.870 0.358 0.000 1.076 334 L CA 0.769 55.801 54.840 0.321 0.000 0.761 334 L CB -0.296 42.030 42.059 0.444 0.000 0.921 334 L HN 0.192 nan 8.230 nan 0.000 0.444 335 I N -0.254 120.510 120.570 0.323 0.000 2.127 335 I HA -0.338 3.833 4.170 0.001 0.000 0.241 335 I C 2.454 178.683 176.117 0.186 0.000 1.075 335 I CA 1.221 62.634 61.300 0.189 0.000 1.334 335 I CB -0.350 37.762 38.000 0.187 0.000 1.040 335 I HN 0.197 nan 8.210 nan 0.000 0.405 336 L N 0.477 121.835 121.223 0.225 0.000 2.081 336 L HA -0.235 4.106 4.340 0.001 0.000 0.212 336 L C 2.377 179.343 176.870 0.159 0.000 1.080 336 L CA 1.818 56.817 54.840 0.266 0.000 0.754 336 L CB -0.679 41.557 42.059 0.295 0.000 0.893 336 L HN 0.229 nan 8.230 nan 0.000 0.433 337 I N -1.256 119.401 120.570 0.144 0.000 2.439 337 I HA -0.164 4.007 4.170 0.001 0.000 0.251 337 I C 2.446 178.639 176.117 0.126 0.000 1.139 337 I CA 1.227 62.584 61.300 0.096 0.000 1.438 337 I CB -1.240 36.826 38.000 0.111 0.000 1.085 337 I HN 0.348 nan 8.210 nan 0.000 0.427 338 G N 0.778 109.684 108.800 0.176 0.000 2.421 338 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 338 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 338 G C 1.539 176.547 174.900 0.181 0.000 1.171 338 G CA 0.412 45.633 45.100 0.203 0.000 0.775 338 G HN 0.393 nan 8.290 nan 0.000 0.543 339 E N -0.135 120.185 120.200 0.200 0.000 2.017 339 E HA -0.120 4.231 4.350 0.001 0.000 0.193 339 E C 2.827 179.587 176.600 0.266 0.000 0.997 339 E CA 1.524 58.078 56.400 0.257 0.000 0.804 339 E CB -0.395 29.538 29.700 0.388 0.000 0.757 339 E HN 0.299 nan 8.360 nan 0.000 0.448 340 T N 1.774 116.503 114.554 0.291 0.000 2.653 340 T HA -0.200 4.151 4.350 0.001 0.000 0.268 340 T C 1.975 176.711 174.700 0.058 0.000 1.035 340 T CA 1.360 63.600 62.100 0.233 0.000 1.154 340 T CB -0.297 68.598 68.868 0.046 0.000 0.862 340 T HN 0.142 nan 8.240 nan 0.000 0.441 341 I N 0.700 121.214 120.570 -0.094 0.000 2.394 341 I HA -0.152 4.019 4.170 0.001 0.000 0.251 341 I C 2.498 178.261 176.117 -0.589 0.000 1.136 341 I CA 1.057 62.129 61.300 -0.380 0.000 1.425 341 I CB -0.346 37.299 38.000 -0.591 0.000 1.079 341 I HN 0.169 nan 8.210 nan 0.000 0.425 342 K N 2.183 122.349 120.400 -0.391 0.000 1.985 342 K HA -0.138 4.183 4.320 0.001 0.000 0.210 342 K C 1.897 178.478 176.600 -0.032 0.000 1.047 342 K CA 1.831 58.036 56.287 -0.136 0.000 0.932 342 K CB -0.472 32.109 32.500 0.134 0.000 0.716 342 K HN 0.209 nan 8.250 nan 0.000 0.439 343 I N 0.402 120.999 120.570 0.045 0.000 2.163 343 I HA -0.249 3.922 4.170 0.001 0.000 0.243 343 I C 2.087 178.212 176.117 0.012 0.000 1.085 343 I CA 1.127 62.476 61.300 0.082 0.000 1.347 343 I CB -0.286 37.833 38.000 0.198 0.000 1.044 343 I HN -0.015 nan 8.210 nan 0.000 0.408 344 V N 0.843 120.702 119.914 -0.091 0.000 2.720 344 V HA -0.238 3.883 4.120 0.001 0.000 0.256 344 V C 2.091 178.121 176.094 -0.106 0.000 1.082 344 V CA 1.649 63.789 62.300 -0.267 0.000 1.101 344 V CB -0.282 31.174 31.823 -0.612 0.000 0.693 344 V HN 0.366 nan 8.190 nan 0.000 0.479 345 I N -0.971 119.555 120.570 -0.073 0.000 2.729 345 I HA -0.027 4.144 4.170 0.001 0.000 0.256 345 I C 2.256 178.401 176.117 0.047 0.000 1.115 345 I CA 0.788 62.086 61.300 -0.003 0.000 1.446 345 I CB 0.034 38.022 38.000 -0.020 0.000 1.176 345 I HN 0.242 nan 8.210 nan 0.000 0.446 346 E N 0.441 120.671 120.200 0.050 0.000 2.435 346 E HA -0.096 4.254 4.350 0.001 0.000 0.195 346 E C 0.577 177.227 176.600 0.084 0.000 1.029 346 E CA 0.575 57.009 56.400 0.058 0.000 0.865 346 E CB 0.371 30.106 29.700 0.059 0.000 0.833 346 E HN 0.461 nan 8.360 nan 0.000 0.510 347 D N -0.722 119.762 120.400 0.140 0.000 3.136 347 D HA -0.055 4.585 4.640 0.001 0.000 0.254 347 D C 1.444 177.961 176.300 0.361 0.000 1.563 347 D CA -0.009 54.134 54.000 0.239 0.000 1.225 347 D CB -0.905 40.056 40.800 0.268 0.000 1.079 347 D HN -0.041 nan 8.370 nan 0.000 0.314 348 Y N 2.530 122.905 120.300 0.125 0.000 2.002 348 Y HA -0.301 4.249 4.550 0.001 0.000 0.268 348 Y C 2.187 178.136 175.900 0.083 0.000 1.177 348 Y CA 1.857 59.863 58.100 -0.158 0.000 1.111 348 Y CB -0.679 37.475 38.460 -0.510 0.000 0.952 348 Y HN -0.169 nan 8.280 nan 0.000 0.491 349 V N 0.398 120.563 119.914 0.418 0.000 2.427 349 V HA -0.307 3.813 4.120 0.001 0.000 0.248 349 V C 2.358 178.528 176.094 0.126 0.000 1.051 349 V CA 2.077 64.554 62.300 0.296 0.000 1.048 349 V CB -0.855 31.098 31.823 0.218 0.000 0.666 349 V HN 0.499 nan 8.190 nan 0.000 0.456 350 Q N -0.125 119.742 119.800 0.112 0.000 2.077 350 Q HA -0.269 4.072 4.340 0.001 0.000 0.206 350 Q C 2.273 178.312 176.000 0.065 0.000 0.989 350 Q CA 2.403 58.231 55.803 0.042 0.000 0.853 350 Q CB -0.510 28.264 28.738 0.060 0.000 0.907 350 Q HN 0.807 nan 8.270 nan 0.000 0.418 351 H N -0.393 118.714 119.070 0.061 0.000 2.253 351 H HA -0.133 4.423 4.556 0.001 0.000 0.299 351 H C 1.816 177.137 175.328 -0.011 0.000 1.064 351 H CA 1.739 57.817 56.048 0.051 0.000 1.264 351 H CB -0.526 29.330 29.762 0.157 0.000 1.371 351 H HN 0.388 nan 8.280 nan 0.000 0.493 352 L N 1.805 123.209 121.223 0.301 0.000 2.369 352 L HA -0.197 4.144 4.340 0.001 0.000 0.220 352 L C 2.763 179.629 176.870 -0.006 0.000 1.119 352 L CA 2.006 56.954 54.840 0.180 0.000 0.780 352 L CB -0.974 41.300 42.059 0.359 0.000 0.906 352 L HN 0.527 nan 8.230 nan 0.000 0.442 353 S N -1.246 114.379 115.700 -0.126 0.000 2.387 353 S HA 0.199 4.670 4.470 0.001 0.000 0.221 353 S C 1.413 175.913 174.600 -0.166 0.000 1.041 353 S CA 0.363 58.346 58.200 -0.361 0.000 0.959 353 S CB -0.459 62.137 63.200 -1.006 0.000 0.843 353 S HN 0.782 nan 8.310 nan 0.000 0.488 354 G N 0.856 109.587 108.800 -0.115 0.000 2.417 354 G HA2 -0.196 3.764 3.960 0.001 0.000 0.291 354 G HA3 -0.196 3.764 3.960 0.001 0.000 0.291 354 G C -0.068 174.909 174.900 0.128 0.000 1.094 354 G CA 0.340 45.406 45.100 -0.057 0.000 1.146 354 G HN 0.455 nan 8.290 nan 0.000 0.519 355 Y N -1.094 119.079 120.300 -0.213 0.000 2.524 355 Y HA 0.211 4.761 4.550 0.001 0.000 0.270 355 Y C 2.070 177.783 175.900 -0.312 0.000 1.094 355 Y CA 0.804 58.739 58.100 -0.275 0.000 1.276 355 Y CB -0.131 38.213 38.460 -0.193 0.000 1.130 355 Y HN 0.810 nan 8.280 nan 0.000 0.536 356 H N -3.439 115.554 119.070 -0.129 0.000 4.829 356 H HA -0.270 4.286 4.556 0.001 0.000 0.080 356 H C 0.203 175.427 175.328 -0.174 0.000 0.582 356 H CA 0.642 56.589 56.048 -0.169 0.000 1.075 356 H CB -1.560 28.057 29.762 -0.241 0.000 0.466 356 H HN 0.163 nan 8.280 nan 0.000 0.746 357 F N 4.163 123.831 119.950 -0.471 0.000 2.427 357 F HA 0.351 4.879 4.527 0.001 0.000 0.352 357 F C 0.196 175.949 175.800 -0.078 0.000 1.100 357 F CA -0.268 57.497 58.000 -0.392 0.000 1.191 357 F CB 0.583 39.068 39.000 -0.858 0.000 1.128 357 F HN -0.094 nan 8.300 nan 0.000 0.533 358 K N 7.376 127.292 120.400 -0.807 0.000 2.316 358 K HA 0.314 4.634 4.320 0.001 0.000 0.289 358 K C -0.512 175.495 176.600 -0.989 0.000 1.070 358 K CA -0.358 55.541 56.287 -0.646 0.000 0.928 358 K CB 0.682 32.992 32.500 -0.318 0.000 1.039 358 K HN 0.651 nan 8.250 nan 0.000 0.480 359 L N 3.213 124.123 121.223 -0.522 0.000 2.439 359 L HA 0.184 4.525 4.340 0.001 0.000 0.269 359 L C 0.359 177.138 176.870 -0.152 0.000 1.179 359 L CA 0.222 54.901 54.840 -0.268 0.000 0.828 359 L CB 0.405 42.426 42.059 -0.063 0.000 1.106 359 L HN 0.536 nan 8.230 nan 0.000 0.467 360 K N 2.281 122.658 120.400 -0.039 0.000 2.371 360 K HA 0.352 4.673 4.320 0.001 0.000 0.251 360 K C -1.445 175.227 176.600 0.120 0.000 0.934 360 K CA -0.710 55.594 56.287 0.028 0.000 0.798 360 K CB 1.742 34.253 32.500 0.018 0.000 1.204 360 K HN 0.326 nan 8.250 nan 0.000 0.427 361 F N 4.244 124.175 119.950 -0.031 0.000 2.303 361 F HA 0.342 4.870 4.527 0.001 0.000 0.368 361 F C -1.163 174.593 175.800 -0.074 0.000 1.105 361 F CA -0.995 56.972 58.000 -0.056 0.000 1.153 361 F CB 0.507 39.484 39.000 -0.038 0.000 1.362 361 F HN 0.493 nan 8.300 nan 0.000 0.511 362 D N 7.888 128.069 120.400 -0.365 0.000 2.358 362 D HA 0.388 5.028 4.640 0.001 0.000 0.253 362 D C -2.129 173.824 176.300 -0.577 0.000 1.288 362 D CA -2.232 51.478 54.000 -0.483 0.000 0.950 362 D CB 1.937 42.620 40.800 -0.196 0.000 1.197 362 D HN 0.177 nan 8.370 nan 0.000 0.550 363 P HA -0.195 nan 4.420 nan 0.000 0.218 363 P C 0.699 177.472 177.300 -0.878 0.000 1.150 363 P CA 1.201 63.786 63.100 -0.858 0.000 0.841 363 P CB 0.304 31.138 31.700 -1.442 0.000 0.784 364 E N -0.704 118.891 120.200 -1.008 0.000 2.204 364 E HA -0.113 4.238 4.350 0.001 0.000 0.194 364 E C 1.848 178.182 176.600 -0.443 0.000 0.989 364 E CA 0.676 56.381 56.400 -1.158 0.000 0.824 364 E CB -0.613 28.714 29.700 -0.622 0.000 0.756 364 E HN 0.327 nan 8.360 nan 0.000 0.477 365 L N 0.578 121.638 121.223 -0.272 0.000 2.263 365 L HA -0.196 4.145 4.340 0.001 0.000 0.216 365 L C 2.197 179.033 176.870 -0.057 0.000 1.111 365 L CA 0.909 55.688 54.840 -0.101 0.000 0.773 365 L CB -0.342 41.674 42.059 -0.071 0.000 0.906 365 L HN 0.175 nan 8.230 nan 0.000 0.439 366 L N -2.328 118.836 121.223 -0.099 0.000 2.513 366 L HA 0.026 4.367 4.340 0.001 0.000 0.222 366 L C 2.080 179.115 176.870 0.275 0.000 1.096 366 L CA -0.185 54.653 54.840 -0.002 0.000 0.857 366 L CB -0.218 41.697 42.059 -0.240 0.000 1.026 366 L HN 0.106 nan 8.230 nan 0.000 0.469 367 F N 1.838 121.849 119.950 0.103 0.000 2.323 367 F HA -0.227 4.301 4.527 0.001 0.000 0.301 367 F C 1.730 177.608 175.800 0.130 0.000 1.060 367 F CA 0.847 58.934 58.000 0.145 0.000 1.398 367 F CB -0.772 38.310 39.000 0.137 0.000 1.075 367 F HN 0.410 nan 8.300 nan 0.000 0.540 368 N N -0.603 118.272 118.700 0.292 0.000 2.480 368 N HA 0.073 4.813 4.740 0.001 0.000 0.281 368 N C -0.508 175.102 175.510 0.168 0.000 1.381 368 N CA -0.060 53.111 53.050 0.201 0.000 0.903 368 N CB 0.337 38.924 38.487 0.167 0.000 1.274 368 N HN 0.125 nan 8.380 nan 0.000 0.505 369 Q N 0.173 120.088 119.800 0.192 0.000 2.456 369 Q HA 0.324 4.664 4.340 0.001 0.000 0.283 369 Q C -0.621 175.506 176.000 0.212 0.000 1.084 369 Q CA -0.464 55.443 55.803 0.173 0.000 0.801 369 Q CB 1.816 30.642 28.738 0.145 0.000 1.434 369 Q HN 0.275 nan 8.270 nan 0.000 0.419 370 Q N 1.085 120.997 119.800 0.188 0.000 2.293 370 Q HA 0.514 4.855 4.340 0.001 0.000 0.263 370 Q C -1.034 175.129 176.000 0.273 0.000 1.002 370 Q CA 0.199 56.116 55.803 0.189 0.000 0.910 370 Q CB 0.467 29.284 28.738 0.131 0.000 1.185 370 Q HN 0.419 nan 8.270 nan 0.000 0.401 371 F N 1.937 121.936 119.950 0.081 0.000 2.651 371 F HA 0.144 4.671 4.527 0.001 0.000 0.329 371 F C -1.356 174.451 175.800 0.012 0.000 1.186 371 F CA -0.850 57.151 58.000 0.003 0.000 1.046 371 F CB 1.554 40.508 39.000 -0.076 0.000 1.296 371 F HN 0.317 nan 8.300 nan 0.000 0.497 372 Q N 5.685 125.105 119.800 -0.633 0.000 2.293 372 Q HA 0.108 4.449 4.340 0.001 0.000 0.263 372 Q C -0.786 174.807 176.000 -0.678 0.000 1.002 372 Q CA 0.133 55.672 55.803 -0.440 0.000 0.910 372 Q CB 0.587 29.136 28.738 -0.315 0.000 1.185 372 Q HN 0.715 nan 8.270 nan 0.000 0.401 373 Y N 2.089 122.238 120.300 -0.252 0.000 2.976 373 Y HA 0.027 4.578 4.550 0.001 0.000 0.389 373 Y C 0.813 176.648 175.900 -0.108 0.000 1.072 373 Y CA -0.155 57.880 58.100 -0.108 0.000 1.809 373 Y CB 0.219 38.721 38.460 0.070 0.000 1.736 373 Y HN 0.428 nan 8.280 nan 0.000 0.471 374 Q N -0.384 119.358 119.800 -0.097 0.000 2.484 374 Q HA 0.592 4.933 4.340 0.001 0.000 0.285 374 Q C -1.628 174.293 176.000 -0.131 0.000 1.097 374 Q CA -1.288 54.468 55.803 -0.079 0.000 0.802 374 Q CB 2.701 31.405 28.738 -0.058 0.000 1.444 374 Q HN 0.256 nan 8.270 nan 0.000 0.429 375 N N -0.261 118.369 118.700 -0.116 0.000 2.504 375 N HA 0.495 5.235 4.740 0.001 0.000 0.268 375 N C -2.200 173.259 175.510 -0.086 0.000 1.184 375 N CA -0.507 52.468 53.050 -0.125 0.000 0.875 375 N CB 2.290 40.680 38.487 -0.161 0.000 1.630 375 N HN 0.615 nan 8.380 nan 0.000 0.486 376 R N 2.607 123.079 120.500 -0.046 0.000 2.502 376 R HA 0.476 4.817 4.340 0.001 0.000 0.298 376 R C -0.797 175.528 176.300 0.042 0.000 1.018 376 R CA -0.689 55.498 56.100 0.145 0.000 0.899 376 R CB 0.467 30.792 30.300 0.042 0.000 1.181 376 R HN 0.641 nan 8.270 nan 0.000 0.444 377 I N 1.720 122.267 120.570 -0.040 0.000 2.618 377 I HA 0.450 4.620 4.170 0.001 0.000 0.284 377 I C 0.026 176.175 176.117 0.053 0.000 1.146 377 I CA -0.289 60.953 61.300 -0.096 0.000 1.425 377 I CB 1.208 39.176 38.000 -0.053 0.000 1.383 377 I HN 0.620 nan 8.210 nan 0.000 0.562 378 A N 4.748 127.517 122.820 -0.085 0.000 2.310 378 A HA 0.451 4.772 4.320 0.001 0.000 0.299 378 A C 1.233 178.793 177.584 -0.040 0.000 1.147 378 A CA -0.170 51.815 52.037 -0.086 0.000 0.818 378 A CB 0.898 19.684 19.000 -0.357 0.000 1.096 378 A HN 0.943 nan 8.150 nan 0.000 0.495 379 S N 1.753 117.429 115.700 -0.040 0.000 2.383 379 S HA -0.214 4.257 4.470 0.001 0.000 0.229 379 S C 1.324 175.899 174.600 -0.041 0.000 1.030 379 S CA 1.832 59.900 58.200 -0.220 0.000 1.002 379 S CB -0.454 62.677 63.200 -0.116 0.000 0.829 379 S HN 0.799 nan 8.310 nan 0.000 0.467 380 E N 1.012 121.269 120.200 0.095 0.000 2.070 380 E HA -0.093 4.258 4.350 0.001 0.000 0.197 380 E C 1.630 178.369 176.600 0.232 0.000 1.004 380 E CA 1.285 57.829 56.400 0.240 0.000 0.805 380 E CB -0.483 29.455 29.700 0.398 0.000 0.744 380 E HN 0.532 nan 8.360 nan 0.000 0.451 381 F N 1.736 121.600 119.950 -0.143 0.000 2.095 381 F HA -0.218 4.309 4.527 0.001 0.000 0.298 381 F C 2.026 177.764 175.800 -0.103 0.000 1.104 381 F CA 1.638 59.646 58.000 0.014 0.000 1.232 381 F CB -0.460 38.457 39.000 -0.139 0.000 0.987 381 F HN 0.054 nan 8.300 nan 0.000 0.475 382 N N -0.943 117.578 118.700 -0.298 0.000 2.104 382 N HA -0.207 4.534 4.740 0.001 0.000 0.190 382 N C 1.742 176.803 175.510 -0.747 0.000 1.024 382 N CA 1.917 54.214 53.050 -1.255 0.000 0.853 382 N CB -0.173 37.750 38.487 -0.940 0.000 1.008 382 N HN 0.298 nan 8.380 nan 0.000 0.424 383 T N 1.843 116.251 114.554 -0.244 0.000 2.639 383 T HA -0.120 4.231 4.350 0.001 0.000 0.261 383 T C 1.846 176.613 174.700 0.110 0.000 1.053 383 T CA 1.515 63.611 62.100 -0.006 0.000 1.158 383 T CB -0.305 68.490 68.868 -0.122 0.000 0.863 383 T HN 0.376 nan 8.240 nan 0.000 0.413 384 L N -0.873 120.388 121.223 0.063 0.000 2.549 384 L HA 0.084 4.425 4.340 0.001 0.000 0.230 384 L C 1.533 178.401 176.870 -0.003 0.000 1.162 384 L CA 1.465 56.366 54.840 0.102 0.000 0.834 384 L CB -1.138 40.985 42.059 0.106 0.000 0.947 384 L HN 0.180 nan 8.230 nan 0.000 0.452 385 Y N -0.645 119.401 120.300 -0.424 0.000 2.493 385 Y HA 0.203 4.753 4.550 0.001 0.000 0.275 385 Y C 0.483 175.923 175.900 -0.767 0.000 1.183 385 Y CA -0.365 57.191 58.100 -0.906 0.000 1.258 385 Y CB -0.300 37.548 38.460 -1.019 0.000 1.108 385 Y HN 0.290 nan 8.280 nan 0.000 0.521 386 H N -0.690 118.289 119.070 -0.153 0.000 2.998 386 H HA 0.012 4.568 4.556 0.001 0.000 0.241 386 H C -0.605 174.828 175.328 0.174 0.000 1.852 386 H CA -0.158 55.829 56.048 -0.103 0.000 1.419 386 H CB -0.539 29.197 29.762 -0.044 0.000 1.793 386 H HN 0.247 nan 8.280 nan 0.000 0.553 387 W N 1.289 122.534 121.300 -0.091 0.000 2.136 387 W HA 0.122 4.783 4.660 0.001 0.000 0.436 387 W C 0.494 177.055 176.519 0.070 0.000 0.624 387 W CA -0.665 56.694 57.345 0.023 0.000 2.276 387 W CB -1.350 28.147 29.460 0.061 0.000 1.277 387 W HN 0.729 nan 8.180 nan 0.000 0.595 388 H N 0.544 119.856 119.070 0.405 0.000 2.456 388 H HA -0.121 4.436 4.556 0.001 0.000 0.296 388 H C -0.461 175.014 175.328 0.245 0.000 1.079 388 H CA 1.188 57.424 56.048 0.314 0.000 1.322 388 H CB -0.936 29.011 29.762 0.307 0.000 1.388 388 H HN 0.004 nan 8.280 nan 0.000 0.538 389 P HA -0.169 nan 4.420 nan 0.000 0.220 389 P C 1.144 178.508 177.300 0.106 0.000 1.144 389 P CA 1.121 64.301 63.100 0.134 0.000 0.800 389 P CB -0.013 31.708 31.700 0.034 0.000 0.772 390 L N -1.883 119.436 121.223 0.161 0.000 2.127 390 L HA -0.127 4.213 4.340 0.001 0.000 0.211 390 L C 1.215 178.179 176.870 0.157 0.000 1.089 390 L CA 0.541 55.459 54.840 0.131 0.000 0.757 390 L CB -0.790 41.398 42.059 0.215 0.000 0.899 390 L HN 0.016 nan 8.230 nan 0.000 0.434 391 L N 1.081 122.436 121.223 0.219 0.000 2.485 391 L HA 0.037 4.378 4.340 0.001 0.000 0.275 391 L C -1.616 175.398 176.870 0.240 0.000 1.207 391 L CA -0.998 53.988 54.840 0.243 0.000 0.855 391 L CB 0.041 42.350 42.059 0.417 0.000 1.114 391 L HN -0.063 nan 8.230 nan 0.000 0.485 392 P HA 0.209 nan 4.420 nan 0.000 0.346 392 P C -0.521 176.686 177.300 -0.155 0.000 1.325 392 P CA -0.137 62.911 63.100 -0.086 0.000 0.803 392 P CB 1.284 32.741 31.700 -0.406 0.000 1.856 393 D N -1.867 118.330 120.400 -0.339 0.000 2.469 393 D HA 0.089 4.730 4.640 0.001 0.000 0.240 393 D C 0.232 176.322 176.300 -0.349 0.000 1.087 393 D CA 0.918 54.721 54.000 -0.328 0.000 0.876 393 D CB 0.524 41.167 40.800 -0.261 0.000 1.160 393 D HN 0.407 nan 8.370 nan 0.000 0.497 394 T N -1.068 113.232 114.554 -0.423 0.000 2.906 394 T HA 0.602 4.952 4.350 0.001 0.000 0.295 394 T C -0.751 173.632 174.700 -0.527 0.000 1.061 394 T CA -0.749 61.137 62.100 -0.356 0.000 1.000 394 T CB 1.646 70.389 68.868 -0.209 0.000 1.103 394 T HN -0.254 nan 8.240 nan 0.000 0.486 395 F N 1.689 121.528 119.950 -0.185 0.000 2.361 395 F HA 0.411 4.939 4.527 0.001 0.000 0.364 395 F C 0.471 176.192 175.800 -0.133 0.000 1.117 395 F CA -1.067 56.714 58.000 -0.365 0.000 1.071 395 F CB 0.854 39.149 39.000 -1.175 0.000 1.188 395 F HN 0.566 nan 8.300 nan 0.000 0.464 396 N N 4.756 123.496 118.700 0.068 0.000 2.527 396 N HA 0.437 5.177 4.740 0.001 0.000 0.236 396 N C -1.083 174.461 175.510 0.057 0.000 0.999 396 N CA -0.443 52.634 53.050 0.044 0.000 0.935 396 N CB 1.041 39.514 38.487 -0.024 0.000 1.132 396 N HN 0.391 nan 8.380 nan 0.000 0.511 397 I N 1.847 122.396 120.570 -0.034 0.000 2.282 397 I HA 0.002 4.173 4.170 0.001 0.000 0.290 397 I C 0.459 176.495 176.117 -0.134 0.000 1.090 397 I CA -0.336 60.787 61.300 -0.294 0.000 1.231 397 I CB 0.394 37.925 38.000 -0.783 0.000 1.434 397 I HN 0.483 nan 8.210 nan 0.000 0.487 398 E N 5.092 125.262 120.200 -0.050 0.000 0.804 398 E HA -0.305 4.046 4.350 0.001 0.000 0.289 398 E C -0.071 176.576 176.600 0.078 0.000 0.679 398 E CA 1.047 57.462 56.400 0.026 0.000 1.015 398 E CB -0.284 29.440 29.700 0.040 0.000 0.772 398 E HN 0.701 nan 8.360 nan 0.000 0.308 399 D N 0.185 120.609 120.400 0.040 0.000 1.598 399 D HA -0.123 4.518 4.640 0.001 0.000 0.248 399 D C -0.564 175.727 176.300 -0.015 0.000 0.798 399 D CA 1.248 55.270 54.000 0.035 0.000 1.124 399 D CB -0.537 40.310 40.800 0.079 0.000 1.461 399 D HN 0.474 nan 8.370 nan 0.000 0.769 400 Q N 0.676 120.447 119.800 -0.048 0.000 2.418 400 Q HA 0.713 5.054 4.340 0.001 0.000 0.276 400 Q C -0.594 175.263 176.000 -0.239 0.000 1.081 400 Q CA -0.494 55.173 55.803 -0.227 0.000 0.864 400 Q CB 1.911 30.343 28.738 -0.510 0.000 1.384 400 Q HN 0.156 nan 8.270 nan 0.000 0.467 401 E N 0.584 120.589 120.200 -0.326 0.000 2.256 401 E HA 0.475 4.825 4.350 0.001 0.000 0.268 401 E C -1.342 175.128 176.600 -0.217 0.000 0.877 401 E CA -0.407 55.886 56.400 -0.178 0.000 0.757 401 E CB 1.640 31.254 29.700 -0.143 0.000 1.183 401 E HN 0.387 nan 8.360 nan 0.000 0.418 402 Y N 0.353 120.638 120.300 -0.025 0.000 2.509 402 Y HA 0.286 4.837 4.550 0.001 0.000 0.341 402 Y C 0.788 176.734 175.900 0.077 0.000 1.038 402 Y CA -0.816 57.324 58.100 0.065 0.000 1.089 402 Y CB 1.794 40.359 38.460 0.175 0.000 1.241 402 Y HN 0.460 nan 8.280 nan 0.000 0.468 403 S N 0.336 116.222 115.700 0.310 0.000 2.681 403 S HA 0.310 4.781 4.470 0.001 0.000 0.270 403 S C 0.580 175.488 174.600 0.513 0.000 1.209 403 S CA -0.559 57.800 58.200 0.266 0.000 0.988 403 S CB 0.497 63.797 63.200 0.166 0.000 1.006 403 S HN 0.481 nan 8.310 nan 0.000 0.558 404 F N 1.568 121.630 119.950 0.186 0.000 2.069 404 F HA -0.004 4.523 4.527 0.001 0.000 0.298 404 F C 2.178 178.092 175.800 0.191 0.000 1.113 404 F CA 1.446 59.625 58.000 0.298 0.000 1.214 404 F CB -1.291 37.825 39.000 0.194 0.000 0.978 404 F HN 0.535 nan 8.300 nan 0.000 0.474 405 K N 0.059 120.658 120.400 0.332 0.000 2.442 405 K HA -0.182 4.139 4.320 0.001 0.000 0.200 405 K C 1.610 178.303 176.600 0.155 0.000 1.045 405 K CA 1.120 57.513 56.287 0.176 0.000 0.937 405 K CB -0.488 32.096 32.500 0.140 0.000 0.757 405 K HN 0.443 nan 8.250 nan 0.000 0.474 406 Q N -1.785 118.165 119.800 0.249 0.000 2.378 406 Q HA 0.164 4.505 4.340 0.001 0.000 0.229 406 Q C 1.159 177.301 176.000 0.238 0.000 0.882 406 Q CA 0.004 55.965 55.803 0.263 0.000 0.936 406 Q CB 0.134 29.118 28.738 0.409 0.000 1.092 406 Q HN 0.198 nan 8.270 nan 0.000 0.535 407 F N 1.439 121.422 119.950 0.055 0.000 2.123 407 F HA 0.115 4.643 4.527 0.001 0.000 0.289 407 F C 0.676 176.354 175.800 -0.203 0.000 1.099 407 F CA 0.164 58.109 58.000 -0.092 0.000 1.234 407 F CB -0.036 38.962 39.000 -0.003 0.000 1.034 407 F HN -0.113 nan 8.300 nan 0.000 0.479 408 L N 2.117 123.237 121.223 -0.171 0.000 2.678 408 L HA -0.184 4.157 4.340 0.001 0.000 0.285 408 L C -0.152 176.308 176.870 -0.682 0.000 1.233 408 L CA 0.191 54.703 54.840 -0.547 0.000 0.920 408 L CB -1.000 40.598 42.059 -0.768 0.000 1.176 408 L HN 0.486 nan 8.230 nan 0.000 0.495 409 Y N 1.409 121.673 120.300 -0.060 0.000 3.108 409 Y HA -0.274 4.276 4.550 0.001 0.000 0.208 409 Y C 0.091 175.963 175.900 -0.046 0.000 1.245 409 Y CA 0.177 58.266 58.100 -0.018 0.000 1.171 409 Y CB -2.285 36.206 38.460 0.051 0.000 1.331 409 Y HN 0.707 nan 8.280 nan 0.000 0.534 410 N N 1.409 120.046 118.700 -0.106 0.000 2.664 410 N HA 0.200 4.941 4.740 0.001 0.000 0.257 410 N C 0.607 175.968 175.510 -0.249 0.000 1.108 410 N CA -0.195 52.774 53.050 -0.134 0.000 0.822 410 N CB 0.262 38.683 38.487 -0.111 0.000 1.199 410 N HN 0.535 nan 8.380 nan 0.000 0.529 411 N N 1.140 119.670 118.700 -0.284 0.000 2.142 411 N HA -0.168 4.573 4.740 0.001 0.000 0.186 411 N C 0.957 176.288 175.510 -0.298 0.000 1.023 411 N CA 1.720 54.525 53.050 -0.408 0.000 0.852 411 N CB -0.064 38.011 38.487 -0.687 0.000 0.998 411 N HN 0.221 nan 8.380 nan 0.000 0.424 412 S N 0.943 116.515 115.700 -0.213 0.000 2.399 412 S HA -0.257 4.214 4.470 0.001 0.000 0.235 412 S C 1.867 176.452 174.600 -0.025 0.000 1.063 412 S CA 1.668 59.802 58.200 -0.111 0.000 1.070 412 S CB -0.830 62.339 63.200 -0.052 0.000 0.904 412 S HN 0.402 nan 8.310 nan 0.000 0.456 413 I N 0.992 121.548 120.570 -0.023 0.000 2.087 413 I HA -0.248 3.922 4.170 0.001 0.000 0.240 413 I C 2.474 178.770 176.117 0.298 0.000 1.054 413 I CA 1.535 62.896 61.300 0.101 0.000 1.311 413 I CB -0.523 37.394 38.000 -0.138 0.000 1.024 413 I HN 0.251 nan 8.210 nan 0.000 0.402 414 L N 0.626 121.895 121.223 0.078 0.000 2.012 414 L HA -0.207 4.134 4.340 0.001 0.000 0.210 414 L C 2.283 179.084 176.870 -0.114 0.000 1.073 414 L CA 1.834 56.538 54.840 -0.226 0.000 0.748 414 L CB -0.466 41.279 42.059 -0.522 0.000 0.891 414 L HN 0.164 nan 8.230 nan 0.000 0.431 415 L N -0.801 120.337 121.223 -0.142 0.000 2.201 415 L HA -0.135 4.206 4.340 0.001 0.000 0.212 415 L C 2.525 179.379 176.870 -0.028 0.000 1.105 415 L CA 1.197 55.937 54.840 -0.167 0.000 0.775 415 L CB -0.475 41.447 42.059 -0.229 0.000 0.913 415 L HN 0.455 nan 8.230 nan 0.000 0.440 416 E N -0.656 119.574 120.200 0.051 0.000 2.230 416 E HA -0.151 4.200 4.350 0.001 0.000 0.192 416 E C 1.476 178.060 176.600 -0.027 0.000 0.987 416 E CA 0.788 57.205 56.400 0.028 0.000 0.841 416 E CB 0.310 30.049 29.700 0.066 0.000 0.783 416 E HN 0.580 nan 8.360 nan 0.000 0.481 417 H N -1.135 118.041 119.070 0.177 0.000 2.654 417 H HA 0.270 4.827 4.556 0.001 0.000 0.264 417 H C 0.605 176.070 175.328 0.228 0.000 0.954 417 H CA 0.633 56.825 56.048 0.241 0.000 1.199 417 H CB 1.030 31.007 29.762 0.359 0.000 1.446 417 H HN 0.231 nan 8.280 nan 0.000 0.516 418 G N 0.108 109.055 108.800 0.245 0.000 2.755 418 G HA2 -0.245 3.715 3.960 0.001 0.000 0.686 418 G HA3 -0.245 3.715 3.960 0.001 0.000 0.686 418 G C 0.176 175.147 174.900 0.117 0.000 1.427 418 G CA -0.186 45.009 45.100 0.157 0.000 0.873 418 G HN 0.163 nan 8.290 nan 0.000 0.580 419 L N 1.312 122.539 121.223 0.007 0.000 2.341 419 L HA 0.110 4.450 4.340 0.001 0.000 0.214 419 L C 3.102 179.993 176.870 0.035 0.000 1.115 419 L CA 2.609 57.413 54.840 -0.060 0.000 0.820 419 L CB -0.825 41.151 42.059 -0.137 0.000 0.944 419 L HN 0.852 nan 8.230 nan 0.000 0.452 420 T N -2.267 112.314 114.554 0.044 0.000 2.668 420 T HA -0.222 4.129 4.350 0.001 0.000 0.262 420 T C 1.429 176.171 174.700 0.071 0.000 1.045 420 T CA 0.752 62.875 62.100 0.039 0.000 1.152 420 T CB -0.306 68.580 68.868 0.031 0.000 0.864 420 T HN 0.045 nan 8.240 nan 0.000 0.419 421 Q N 0.259 120.125 119.800 0.111 0.000 3.179 421 Q HA 0.380 4.721 4.340 0.001 0.000 0.328 421 Q C -0.381 175.703 176.000 0.140 0.000 1.336 421 Q CA -0.248 55.623 55.803 0.113 0.000 0.939 421 Q CB -0.938 27.882 28.738 0.136 0.000 1.658 421 Q HN 0.592 nan 8.270 nan 0.000 0.486 422 F N -1.612 118.248 119.950 -0.150 0.000 2.532 422 F HA 0.070 4.598 4.527 0.001 0.000 0.372 422 F C 1.025 176.574 175.800 -0.419 0.000 0.806 422 F CA 0.123 57.902 58.000 -0.369 0.000 0.992 422 F CB 0.507 39.322 39.000 -0.309 0.000 0.990 422 F HN 0.090 nan 8.300 nan 0.000 0.632 423 V N 0.450 120.366 119.914 0.004 0.000 2.446 423 V HA -0.138 3.982 4.120 0.001 0.000 0.244 423 V C 1.848 177.954 176.094 0.019 0.000 1.039 423 V CA 2.212 64.510 62.300 -0.003 0.000 1.045 423 V CB -0.165 31.647 31.823 -0.017 0.000 0.681 423 V HN 0.250 nan 8.190 nan 0.000 0.459 424 E N 0.350 120.562 120.200 0.020 0.000 2.038 424 E HA -0.197 4.154 4.350 0.001 0.000 0.195 424 E C 2.338 178.974 176.600 0.059 0.000 1.000 424 E CA 1.838 58.267 56.400 0.049 0.000 0.803 424 E CB -0.247 29.484 29.700 0.051 0.000 0.750 424 E HN 0.554 nan 8.360 nan 0.000 0.448 425 S N 0.561 116.262 115.700 0.003 0.000 2.383 425 S HA -0.134 4.337 4.470 0.001 0.000 0.229 425 S C 1.658 176.386 174.600 0.215 0.000 1.030 425 S CA 0.953 59.167 58.200 0.022 0.000 1.002 425 S CB -0.226 62.894 63.200 -0.135 0.000 0.829 425 S HN 0.174 nan 8.310 nan 0.000 0.467 426 F N 2.092 122.057 119.950 0.026 0.000 2.416 426 F HA 0.082 4.609 4.527 0.001 0.000 0.296 426 F C 2.635 178.477 175.800 0.069 0.000 1.099 426 F CA 0.172 58.214 58.000 0.069 0.000 1.427 426 F CB -1.786 37.299 39.000 0.141 0.000 1.079 426 F HN 0.145 nan 8.300 nan 0.000 0.536 427 T N -0.072 114.620 114.554 0.230 0.000 2.833 427 T HA -0.155 4.195 4.350 0.001 0.000 0.269 427 T C 0.830 175.613 174.700 0.138 0.000 1.054 427 T CA 1.064 63.241 62.100 0.129 0.000 1.135 427 T CB -0.214 68.688 68.868 0.057 0.000 0.869 427 T HN -0.089 nan 8.240 nan 0.000 0.466 428 R N 1.823 122.407 120.500 0.141 0.000 2.332 428 R HA 0.522 4.863 4.340 0.001 0.000 0.306 428 R C -0.409 175.944 176.300 0.088 0.000 1.117 428 R CA -0.173 55.990 56.100 0.106 0.000 1.108 428 R CB 0.443 30.799 30.300 0.092 0.000 1.126 428 R HN 0.237 nan 8.270 nan 0.000 0.548 429 Q N 2.641 122.478 119.800 0.061 0.000 3.943 429 Q HA 0.096 4.437 4.340 0.001 0.000 0.143 429 Q C -1.013 174.981 176.000 -0.010 0.000 0.840 429 Q CA -0.110 55.701 55.803 0.013 0.000 1.000 429 Q CB 0.472 29.224 28.738 0.023 0.000 1.524 429 Q HN 0.683 nan 8.270 nan 0.000 0.534 430 I N 1.722 122.294 120.570 0.002 0.000 3.110 430 I HA 0.052 4.223 4.170 0.001 0.000 0.305 430 I C 0.061 176.220 176.117 0.069 0.000 1.232 430 I CA 1.108 62.424 61.300 0.027 0.000 1.431 430 I CB 0.561 38.596 38.000 0.059 0.000 1.320 430 I HN 0.669 nan 8.210 nan 0.000 0.583 431 A N 5.625 128.484 122.820 0.064 0.000 2.322 431 A HA 0.712 5.033 4.320 0.001 0.000 0.327 431 A C 0.079 177.723 177.584 0.101 0.000 1.134 431 A CA -0.089 52.016 52.037 0.113 0.000 0.831 431 A CB 0.979 19.980 19.000 0.001 0.000 1.288 431 A HN 0.877 nan 8.150 nan 0.000 0.472 432 G N -0.071 108.773 108.800 0.073 0.000 2.544 432 G HA2 0.419 4.380 3.960 0.001 0.000 0.242 432 G HA3 0.419 4.380 3.960 0.001 0.000 0.242 432 G C 0.268 174.991 174.900 -0.295 0.000 1.247 432 G CA -0.416 44.493 45.100 -0.319 0.000 0.840 432 G HN 0.877 nan 8.290 nan 0.000 0.578 433 R N 0.747 121.022 120.500 -0.374 0.000 2.643 433 R HA 0.206 4.546 4.340 0.001 0.000 0.270 433 R C 0.893 177.017 176.300 -0.293 0.000 1.061 433 R CA -0.469 55.422 56.100 -0.349 0.000 1.107 433 R CB 0.770 30.878 30.300 -0.320 0.000 0.999 433 R HN 0.268 nan 8.270 nan 0.000 0.460 434 V N 3.118 122.839 119.914 -0.322 0.000 2.436 434 V HA 0.101 4.222 4.120 0.001 0.000 0.240 434 V C 0.993 177.002 176.094 -0.141 0.000 1.040 434 V CA 1.392 63.569 62.300 -0.206 0.000 1.052 434 V CB -0.415 31.256 31.823 -0.253 0.000 0.707 434 V HN 0.903 nan 8.190 nan 0.000 0.469 435 A N -0.659 122.081 122.820 -0.133 0.000 2.249 435 A HA 0.580 4.901 4.320 0.001 0.000 0.281 435 A C 1.451 178.961 177.584 -0.124 0.000 1.127 435 A CA 0.676 52.663 52.037 -0.083 0.000 0.833 435 A CB -0.045 18.941 19.000 -0.024 0.000 1.140 435 A HN 1.164 nan 8.150 nan 0.000 0.502 436 G N -1.617 107.121 108.800 -0.103 0.000 3.642 436 G HA2 0.416 4.377 3.960 0.001 0.000 0.205 436 G HA3 0.416 4.377 3.960 0.001 0.000 0.205 436 G C 1.146 175.985 174.900 -0.103 0.000 1.526 436 G CA 0.581 45.614 45.100 -0.112 0.000 1.097 436 G HN 2.908 nan 8.290 nan 0.000 0.596 437 G N -1.209 107.526 108.800 -0.108 0.000 2.347 437 G HA2 0.571 4.532 3.960 0.001 0.000 0.303 437 G HA3 0.571 4.532 3.960 0.001 0.000 0.303 437 G C -0.131 174.714 174.900 -0.093 0.000 1.481 437 G CA 0.238 45.282 45.100 -0.093 0.000 0.914 437 G HN 1.275 nan 8.290 nan 0.000 0.638 438 R N -0.157 120.300 120.500 -0.073 0.000 1.946 438 R HA -0.232 4.109 4.340 0.001 0.000 0.197 438 R C 0.399 176.656 176.300 -0.073 0.000 0.624 438 R CA 0.984 57.047 56.100 -0.062 0.000 0.407 438 R CB -0.566 29.703 30.300 -0.053 0.000 1.447 438 R HN 0.397 nan 8.270 nan 0.000 0.555 439 N N -0.315 118.340 118.700 -0.075 0.000 2.241 439 N HA 0.071 4.812 4.740 0.001 0.000 0.238 439 N C -0.942 174.553 175.510 -0.024 0.000 1.244 439 N CA -0.087 52.910 53.050 -0.088 0.000 0.880 439 N CB 1.072 39.461 38.487 -0.163 0.000 1.179 439 N HN 0.054 nan 8.380 nan 0.000 0.513 440 V N 2.633 122.552 119.914 0.009 0.000 2.405 440 V HA 0.302 4.423 4.120 0.001 0.000 0.264 440 V C -2.024 174.099 176.094 0.049 0.000 1.048 440 V CA -1.447 60.894 62.300 0.067 0.000 0.966 440 V CB 0.863 32.736 31.823 0.085 0.000 1.015 440 V HN 0.111 nan 8.190 nan 0.000 0.477 441 P HA 0.066 nan 4.420 nan 0.000 0.260 441 P C 0.872 178.152 177.300 -0.035 0.000 1.185 441 P CA 0.081 63.177 63.100 -0.007 0.000 0.763 441 P CB 0.471 32.189 31.700 0.030 0.000 0.776 442 I N 3.375 123.898 120.570 -0.077 0.000 2.623 442 I HA -0.293 3.878 4.170 0.001 0.000 0.261 442 I C 2.007 178.086 176.117 -0.063 0.000 1.204 442 I CA 1.634 62.898 61.300 -0.060 0.000 1.444 442 I CB -0.720 37.239 38.000 -0.068 0.000 1.094 442 I HN 0.383 nan 8.210 nan 0.000 0.451 443 A N -0.267 122.477 122.820 -0.127 0.000 1.843 443 A HA -0.035 4.285 4.320 0.001 0.000 0.213 443 A C 1.915 179.547 177.584 0.080 0.000 1.202 443 A CA 1.121 53.130 52.037 -0.048 0.000 0.607 443 A CB -0.803 18.085 19.000 -0.186 0.000 0.847 443 A HN 0.153 nan 8.150 nan 0.000 0.445 444 V N 2.087 122.076 119.914 0.125 0.000 3.451 444 V HA -0.105 4.015 4.120 0.001 0.000 0.332 444 V C 2.041 178.152 176.094 0.028 0.000 1.198 444 V CA 1.236 63.574 62.300 0.065 0.000 1.317 444 V CB -1.615 30.227 31.823 0.031 0.000 1.117 444 V HN 0.858 nan 8.190 nan 0.000 0.421 445 Q N 1.160 120.984 119.800 0.039 0.000 2.163 445 Q HA -0.022 4.319 4.340 0.001 0.000 0.198 445 Q C 2.188 178.214 176.000 0.042 0.000 0.954 445 Q CA 1.433 57.262 55.803 0.043 0.000 0.851 445 Q CB -0.367 28.387 28.738 0.026 0.000 0.928 445 Q HN 0.438 nan 8.270 nan 0.000 0.459 446 A N 1.278 124.118 122.820 0.034 0.000 1.948 446 A HA -0.162 4.159 4.320 0.001 0.000 0.220 446 A C 2.278 179.873 177.584 0.019 0.000 1.177 446 A CA 1.800 53.854 52.037 0.028 0.000 0.636 446 A CB -0.959 18.061 19.000 0.034 0.000 0.815 446 A HN 0.270 nan 8.150 nan 0.000 0.449 447 V N -0.318 119.606 119.914 0.016 0.000 2.216 447 V HA -0.226 3.895 4.120 0.001 0.000 0.242 447 V C 3.038 179.148 176.094 0.027 0.000 1.042 447 V CA 2.030 64.338 62.300 0.013 0.000 0.991 447 V CB -1.459 30.334 31.823 -0.051 0.000 0.633 447 V HN 0.614 nan 8.190 nan 0.000 0.449 448 A N -0.716 122.176 122.820 0.120 0.000 2.042 448 A HA -0.288 4.032 4.320 0.001 0.000 0.222 448 A C 2.301 179.974 177.584 0.148 0.000 1.167 448 A CA 2.132 54.307 52.037 0.230 0.000 0.649 448 A CB -0.540 18.682 19.000 0.370 0.000 0.809 448 A HN 0.442 nan 8.150 nan 0.000 0.457 449 K N -0.237 120.206 120.400 0.073 0.000 1.984 449 K HA -0.066 4.254 4.320 0.001 0.000 0.209 449 K C 2.334 178.924 176.600 -0.017 0.000 1.046 449 K CA 1.326 57.638 56.287 0.042 0.000 0.934 449 K CB -0.615 31.902 32.500 0.027 0.000 0.717 449 K HN 0.373 nan 8.250 nan 0.000 0.438 450 A N 1.124 123.916 122.820 -0.047 0.000 1.859 450 A HA -0.214 4.107 4.320 0.001 0.000 0.218 450 A C 2.338 179.808 177.584 -0.189 0.000 1.209 450 A CA 2.703 54.685 52.037 -0.091 0.000 0.639 450 A CB -1.117 17.835 19.000 -0.080 0.000 0.835 450 A HN 0.424 nan 8.150 nan 0.000 0.450 451 S N -0.366 115.136 115.700 -0.330 0.000 2.400 451 S HA -0.218 4.252 4.470 0.001 0.000 0.234 451 S C 1.763 176.052 174.600 -0.519 0.000 1.049 451 S CA 1.771 59.567 58.200 -0.673 0.000 1.039 451 S CB -0.609 61.797 63.200 -1.322 0.000 0.856 451 S HN 0.515 nan 8.310 nan 0.000 0.465 452 I N 1.193 121.630 120.570 -0.222 0.000 2.233 452 I HA -0.160 4.010 4.170 0.001 0.000 0.243 452 I C 2.016 178.085 176.117 -0.081 0.000 1.093 452 I CA 1.136 62.412 61.300 -0.040 0.000 1.380 452 I CB -0.374 37.689 38.000 0.105 0.000 1.067 452 I HN 0.176 nan 8.210 nan 0.000 0.413 453 D N 0.515 120.869 120.400 -0.076 0.000 2.144 453 D HA -0.184 4.457 4.640 0.001 0.000 0.199 453 D C 2.223 178.477 176.300 -0.075 0.000 0.984 453 D CA 1.222 55.189 54.000 -0.055 0.000 0.834 453 D CB -0.177 40.600 40.800 -0.039 0.000 0.955 453 D HN 0.454 nan 8.370 nan 0.000 0.465 454 Q N 0.250 119.972 119.800 -0.130 0.000 2.020 454 Q HA -0.026 4.315 4.340 0.001 0.000 0.198 454 Q C 2.331 178.231 176.000 -0.167 0.000 0.974 454 Q CA 0.954 56.683 55.803 -0.124 0.000 0.829 454 Q CB -0.086 28.565 28.738 -0.145 0.000 0.894 454 Q HN 0.053 nan 8.270 nan 0.000 0.433 455 S N 0.548 116.049 115.700 -0.333 0.000 2.420 455 S HA -0.154 4.317 4.470 0.001 0.000 0.237 455 S C 1.739 176.230 174.600 -0.181 0.000 1.023 455 S CA 0.907 58.775 58.200 -0.553 0.000 0.991 455 S CB -0.106 62.583 63.200 -0.851 0.000 0.792 455 S HN 0.243 nan 8.310 nan 0.000 0.488 456 R N 1.436 121.880 120.500 -0.092 0.000 2.061 456 R HA -0.093 4.248 4.340 0.001 0.000 0.230 456 R C 2.379 178.697 176.300 0.031 0.000 1.140 456 R CA 1.684 57.785 56.100 0.001 0.000 0.940 456 R CB -0.847 29.453 30.300 -0.000 0.000 0.839 456 R HN 0.742 nan 8.270 nan 0.000 0.429 457 E N 0.549 120.757 120.200 0.014 0.000 2.150 457 E HA -0.115 4.236 4.350 0.001 0.000 0.193 457 E C 1.540 178.169 176.600 0.048 0.000 0.985 457 E CA 0.860 57.279 56.400 0.032 0.000 0.814 457 E CB -0.263 29.455 29.700 0.029 0.000 0.752 457 E HN 0.237 nan 8.360 nan 0.000 0.466 458 M N 1.071 120.712 119.600 0.069 0.000 2.696 458 M HA 0.075 4.556 4.480 0.001 0.000 0.220 458 M C -0.159 176.229 176.300 0.146 0.000 1.133 458 M CA 0.502 55.865 55.300 0.105 0.000 1.016 458 M CB -0.367 32.354 32.600 0.202 0.000 1.740 458 M HN 0.001 nan 8.290 nan 0.000 0.502 459 K N -0.001 120.471 120.400 0.120 0.000 3.078 459 K HA -0.223 4.098 4.320 0.001 0.000 0.261 459 K C -0.505 176.186 176.600 0.151 0.000 0.947 459 K CA 0.672 57.022 56.287 0.105 0.000 0.702 459 K CB -2.061 30.459 32.500 0.034 0.000 1.318 459 K HN 0.289 nan 8.250 nan 0.000 0.473 460 Y N 0.912 121.229 120.300 0.028 0.000 2.341 460 Y HA -0.105 4.446 4.550 0.001 0.000 0.357 460 Y C 1.625 177.601 175.900 0.126 0.000 1.261 460 Y CA 0.747 58.902 58.100 0.091 0.000 1.547 460 Y CB 0.350 38.851 38.460 0.069 0.000 1.363 460 Y HN 0.194 nan 8.280 nan 0.000 0.692 461 Q N -0.637 119.388 119.800 0.376 0.000 2.486 461 Q HA 0.361 4.702 4.340 0.001 0.000 0.274 461 Q C -0.678 175.523 176.000 0.334 0.000 1.076 461 Q CA -1.033 54.926 55.803 0.259 0.000 0.872 461 Q CB 1.824 30.587 28.738 0.041 0.000 1.383 461 Q HN 0.669 nan 8.270 nan 0.000 0.478 462 S N 0.165 115.975 115.700 0.182 0.000 2.558 462 S HA -0.057 4.414 4.470 0.001 0.000 0.288 462 S C 0.987 175.714 174.600 0.211 0.000 1.318 462 S CA -0.246 58.039 58.200 0.142 0.000 1.056 462 S CB 0.324 63.558 63.200 0.057 0.000 0.853 462 S HN 0.587 nan 8.310 nan 0.000 0.505 463 L N 5.174 126.464 121.223 0.111 0.000 2.131 463 L HA -0.071 4.270 4.340 0.001 0.000 0.210 463 L C 1.814 178.719 176.870 0.058 0.000 1.092 463 L CA 2.155 57.045 54.840 0.083 0.000 0.759 463 L CB -1.014 41.030 42.059 -0.024 0.000 0.903 463 L HN 0.861 nan 8.230 nan 0.000 0.435 464 N N -0.762 117.939 118.700 0.001 0.000 2.120 464 N HA -0.182 4.559 4.740 0.001 0.000 0.188 464 N C 1.658 177.157 175.510 -0.017 0.000 1.024 464 N CA 1.235 54.257 53.050 -0.047 0.000 0.852 464 N CB -0.069 38.385 38.487 -0.055 0.000 1.003 464 N HN 0.384 nan 8.380 nan 0.000 0.424 465 E N 0.593 120.795 120.200 0.002 0.000 2.049 465 E HA -0.201 4.150 4.350 0.001 0.000 0.198 465 E C 1.766 178.327 176.600 -0.065 0.000 1.007 465 E CA 1.343 57.704 56.400 -0.064 0.000 0.809 465 E CB -0.585 29.045 29.700 -0.117 0.000 0.749 465 E HN 0.548 nan 8.360 nan 0.000 0.450 466 Y N 0.854 121.163 120.300 0.014 0.000 2.274 466 Y HA -0.134 4.416 4.550 0.001 0.000 0.290 466 Y C 2.600 178.551 175.900 0.084 0.000 1.145 466 Y CA 1.232 59.379 58.100 0.078 0.000 1.203 466 Y CB -0.117 38.366 38.460 0.039 0.000 0.984 466 Y HN -0.001 nan 8.280 nan 0.000 0.533 467 R N 0.200 120.770 120.500 0.116 0.000 2.066 467 R HA -0.133 4.207 4.340 0.001 0.000 0.232 467 R C 2.087 178.414 176.300 0.045 0.000 1.131 467 R CA 1.567 57.679 56.100 0.020 0.000 0.955 467 R CB -0.198 30.015 30.300 -0.144 0.000 0.851 467 R HN 0.298 nan 8.270 nan 0.000 0.432 468 K N 0.103 120.505 120.400 0.002 0.000 2.057 468 K HA -0.184 4.137 4.320 0.001 0.000 0.207 468 K C 2.104 178.700 176.600 -0.007 0.000 1.049 468 K CA 1.338 57.610 56.287 -0.024 0.000 0.931 468 K CB -0.168 32.293 32.500 -0.064 0.000 0.714 468 K HN -0.078 nan 8.250 nan 0.000 0.440 469 R N 1.156 121.663 120.500 0.012 0.000 2.096 469 R HA -0.124 4.217 4.340 0.001 0.000 0.240 469 R C 1.027 177.277 176.300 -0.084 0.000 1.139 469 R CA 1.614 57.691 56.100 -0.038 0.000 0.952 469 R CB -0.609 29.683 30.300 -0.013 0.000 0.854 469 R HN 0.124 nan 8.270 nan 0.000 0.436 470 F N 1.071 120.986 119.950 -0.059 0.000 2.701 470 F HA 0.271 4.798 4.527 0.001 0.000 0.295 470 F C 0.414 176.191 175.800 -0.039 0.000 1.165 470 F CA 0.187 58.143 58.000 -0.073 0.000 1.399 470 F CB -0.233 38.712 39.000 -0.091 0.000 0.996 470 F HN -0.043 nan 8.300 nan 0.000 0.513 471 S N 0.545 116.294 115.700 0.082 0.000 3.682 471 S HA -0.191 4.280 4.470 0.001 0.000 0.354 471 S C -0.132 174.514 174.600 0.077 0.000 1.034 471 S CA 0.199 58.447 58.200 0.080 0.000 1.084 471 S CB -2.101 61.177 63.200 0.130 0.000 0.903 471 S HN 0.310 nan 8.310 nan 0.000 0.470 472 L N 0.220 121.474 121.223 0.052 0.000 2.342 472 L HA 0.506 4.847 4.340 0.001 0.000 0.271 472 L C 0.571 177.422 176.870 -0.033 0.000 1.008 472 L CA -0.879 53.969 54.840 0.013 0.000 0.818 472 L CB 1.173 43.224 42.059 -0.014 0.000 1.296 472 L HN -0.005 nan 8.230 nan 0.000 0.427 473 K N 3.165 123.541 120.400 -0.041 0.000 2.339 473 K HA 0.263 4.584 4.320 0.001 0.000 0.286 473 K C -2.262 174.264 176.600 -0.124 0.000 1.050 473 K CA -1.520 54.737 56.287 -0.050 0.000 0.956 473 K CB 0.839 33.334 32.500 -0.008 0.000 0.990 473 K HN 0.282 nan 8.250 nan 0.000 0.475 474 P HA -0.051 nan 4.420 nan 0.000 0.271 474 P C -0.878 176.378 177.300 -0.073 0.000 1.218 474 P CA -0.040 62.963 63.100 -0.161 0.000 0.780 474 P CB 0.342 31.988 31.700 -0.089 0.000 0.901 475 Y N 1.079 121.346 120.300 -0.055 0.000 2.544 475 Y HA -0.000 4.550 4.550 0.001 0.000 0.330 475 Y C 2.149 178.004 175.900 -0.074 0.000 1.136 475 Y CA 0.184 58.242 58.100 -0.069 0.000 1.417 475 Y CB -0.417 37.977 38.460 -0.110 0.000 1.229 475 Y HN 0.388 nan 8.280 nan 0.000 0.532 476 T N -1.961 112.679 114.554 0.143 0.000 3.088 476 T HA 0.131 4.482 4.350 0.001 0.000 0.259 476 T C 0.220 174.954 174.700 0.055 0.000 1.122 476 T CA 0.539 62.680 62.100 0.069 0.000 1.095 476 T CB -0.194 68.710 68.868 0.061 0.000 0.930 476 T HN 0.489 nan 8.240 nan 0.000 0.508 477 S N -0.638 115.086 115.700 0.040 0.000 2.552 477 S HA 0.535 5.005 4.470 0.001 0.000 0.272 477 S C -0.182 174.440 174.600 0.036 0.000 1.150 477 S CA -0.992 57.260 58.200 0.087 0.000 0.849 477 S CB 0.368 63.627 63.200 0.097 0.000 1.113 477 S HN -0.089 nan 8.310 nan 0.000 0.458 478 F N 1.249 121.181 119.950 -0.031 0.000 2.250 478 F HA 0.021 4.548 4.527 0.001 0.000 0.301 478 F C 2.228 177.961 175.800 -0.112 0.000 1.077 478 F CA 1.327 59.288 58.000 -0.064 0.000 1.348 478 F CB -0.732 38.251 39.000 -0.028 0.000 1.040 478 F HN 0.619 nan 8.300 nan 0.000 0.509 479 E N 0.146 120.426 120.200 0.132 0.000 2.072 479 E HA -0.200 4.151 4.350 0.001 0.000 0.191 479 E C 2.087 178.638 176.600 -0.082 0.000 0.985 479 E CA 1.241 57.652 56.400 0.019 0.000 0.801 479 E CB -0.385 29.333 29.700 0.030 0.000 0.750 479 E HN 0.512 nan 8.360 nan 0.000 0.452 480 E N 0.442 120.572 120.200 -0.116 0.000 2.077 480 E HA -0.218 4.133 4.350 0.001 0.000 0.193 480 E C 1.988 178.262 176.600 -0.543 0.000 0.989 480 E CA 0.937 57.204 56.400 -0.222 0.000 0.800 480 E CB -0.092 29.529 29.700 -0.131 0.000 0.746 480 E HN 0.215 nan 8.360 nan 0.000 0.452 481 L N 0.960 121.744 121.223 -0.732 0.000 1.994 481 L HA -0.172 4.169 4.340 0.001 0.000 0.208 481 L C 2.550 179.135 176.870 -0.476 0.000 1.071 481 L CA 2.872 57.096 54.840 -1.027 0.000 0.745 481 L CB -1.110 40.605 42.059 -0.573 0.000 0.892 481 L HN 0.373 nan 8.230 nan 0.000 0.431 482 T N -3.761 110.641 114.554 -0.254 0.000 2.857 482 T HA 0.184 4.535 4.350 0.001 0.000 0.266 482 T C 1.783 176.404 174.700 -0.131 0.000 1.048 482 T CA 1.046 63.057 62.100 -0.148 0.000 1.139 482 T CB -0.672 68.149 68.868 -0.079 0.000 0.874 482 T HN 0.805 nan 8.240 nan 0.000 0.455 483 G N 1.672 110.393 108.800 -0.131 0.000 2.253 483 G HA2 -0.267 3.693 3.960 0.001 0.000 0.251 483 G HA3 -0.267 3.693 3.960 0.001 0.000 0.251 483 G C 0.090 174.949 174.900 -0.069 0.000 0.998 483 G CA 0.644 45.686 45.100 -0.097 0.000 0.621 483 G HN 1.006 nan 8.290 nan 0.000 0.524 484 E N -1.199 118.962 120.200 -0.065 0.000 2.664 484 E HA 0.890 5.241 4.350 0.001 0.000 0.245 484 E C 0.895 177.471 176.600 -0.040 0.000 1.016 484 E CA -0.817 55.552 56.400 -0.051 0.000 0.963 484 E CB 0.623 30.292 29.700 -0.052 0.000 1.360 484 E HN -0.076 nan 8.360 nan 0.000 0.472 485 K N -0.882 119.498 120.400 -0.034 0.000 2.511 485 K HA 0.133 4.453 4.320 0.001 0.000 0.209 485 K C 1.396 177.979 176.600 -0.028 0.000 1.301 485 K CA 0.495 56.766 56.287 -0.027 0.000 0.967 485 K CB 0.483 32.967 32.500 -0.026 0.000 1.109 485 K HN 0.705 nan 8.250 nan 0.000 0.561 486 E N 1.012 121.194 120.200 -0.030 0.000 2.006 486 E HA -0.094 4.257 4.350 0.001 0.000 0.192 486 E C 1.862 178.445 176.600 -0.028 0.000 0.993 486 E CA 1.275 57.657 56.400 -0.031 0.000 0.808 486 E CB 0.072 29.753 29.700 -0.031 0.000 0.764 486 E HN 0.076 nan 8.360 nan 0.000 0.449 487 M N 0.603 120.189 119.600 -0.024 0.000 2.080 487 M HA -0.194 4.287 4.480 0.001 0.000 0.260 487 M C 2.527 178.829 176.300 0.002 0.000 1.068 487 M CA 1.560 56.852 55.300 -0.013 0.000 1.109 487 M CB -0.473 32.117 32.600 -0.017 0.000 1.342 487 M HN 0.265 nan 8.290 nan 0.000 0.405 488 A N 0.853 123.677 122.820 0.006 0.000 1.859 488 A HA -0.231 4.090 4.320 0.001 0.000 0.218 488 A C 2.401 179.974 177.584 -0.018 0.000 1.209 488 A CA 2.724 54.788 52.037 0.044 0.000 0.639 488 A CB -1.328 17.690 19.000 0.030 0.000 0.835 488 A HN 0.548 nan 8.150 nan 0.000 0.450 489 A N -1.004 121.785 122.820 -0.052 0.000 1.972 489 A HA -0.126 4.195 4.320 0.001 0.000 0.219 489 A C 1.943 179.453 177.584 -0.124 0.000 1.169 489 A CA 2.232 54.206 52.037 -0.104 0.000 0.635 489 A CB -0.476 18.482 19.000 -0.069 0.000 0.810 489 A HN 0.613 nan 8.150 nan 0.000 0.446 490 E N 0.224 120.380 120.200 -0.073 0.000 2.106 490 E HA -0.112 4.238 4.350 0.001 0.000 0.192 490 E C 1.749 178.316 176.600 -0.054 0.000 0.984 490 E CA 1.226 57.593 56.400 -0.055 0.000 0.806 490 E CB -0.385 29.300 29.700 -0.025 0.000 0.750 490 E HN 0.610 nan 8.360 nan 0.000 0.458 491 L N 0.164 121.368 121.223 -0.032 0.000 2.023 491 L HA -0.102 4.239 4.340 0.001 0.000 0.205 491 L C 2.456 179.178 176.870 -0.247 0.000 1.073 491 L CA 1.422 56.310 54.840 0.080 0.000 0.745 491 L CB -0.567 41.687 42.059 0.325 0.000 0.900 491 L HN 0.098 nan 8.230 nan 0.000 0.435 492 K N 1.023 120.916 120.400 -0.846 0.000 2.189 492 K HA -0.237 4.084 4.320 0.001 0.000 0.207 492 K C 1.859 178.139 176.600 -0.534 0.000 1.046 492 K CA 1.744 57.228 56.287 -1.339 0.000 0.928 492 K CB -0.415 31.566 32.500 -0.865 0.000 0.720 492 K HN 0.286 nan 8.250 nan 0.000 0.458 493 A N 0.006 122.650 122.820 -0.292 0.000 1.877 493 A HA -0.086 4.235 4.320 0.001 0.000 0.216 493 A C 1.971 179.477 177.584 -0.130 0.000 1.186 493 A CA 1.913 53.852 52.037 -0.162 0.000 0.620 493 A CB -0.479 18.455 19.000 -0.109 0.000 0.822 493 A HN 0.298 nan 8.150 nan 0.000 0.443 494 L N -3.241 117.913 121.223 -0.114 0.000 2.189 494 L HA 0.128 4.469 4.340 0.001 0.000 0.199 494 L C 2.279 179.060 176.870 -0.148 0.000 1.074 494 L CA 1.022 55.773 54.840 -0.149 0.000 0.783 494 L CB -1.141 40.791 42.059 -0.210 0.000 0.955 494 L HN 0.323 nan 8.230 nan 0.000 0.460 495 Y N 0.140 120.489 120.300 0.081 0.000 2.373 495 Y HA -0.094 4.457 4.550 0.001 0.000 0.293 495 Y C 2.140 178.208 175.900 0.279 0.000 1.129 495 Y CA 0.740 58.993 58.100 0.254 0.000 1.226 495 Y CB -0.151 38.626 38.460 0.529 0.000 1.000 495 Y HN 0.189 nan 8.280 nan 0.000 0.549 496 S N -1.360 114.478 115.700 0.230 0.000 1.832 496 S HA -0.308 4.163 4.470 0.001 0.000 0.231 496 S C 0.154 175.008 174.600 0.422 0.000 0.901 496 S CA 1.770 60.072 58.200 0.170 0.000 1.687 496 S CB -1.287 61.978 63.200 0.109 0.000 1.858 496 S HN 0.538 nan 8.310 nan 0.000 0.523 497 D N 0.417 121.086 120.400 0.448 0.000 2.192 497 D HA 0.555 5.196 4.640 0.001 0.000 0.246 497 D C 0.727 177.138 176.300 0.185 0.000 1.042 497 D CA -0.459 53.733 54.000 0.320 0.000 0.847 497 D CB 1.378 42.278 40.800 0.166 0.000 1.186 497 D HN 0.131 nan 8.370 nan 0.000 0.461 498 I N 2.295 122.809 120.570 -0.095 0.000 2.286 498 I HA -0.167 4.004 4.170 0.001 0.000 0.248 498 I C 0.683 176.664 176.117 -0.227 0.000 1.115 498 I CA 1.259 62.234 61.300 -0.542 0.000 1.392 498 I CB -0.087 37.679 38.000 -0.390 0.000 1.065 498 I HN 0.318 nan 8.210 nan 0.000 0.418 499 D N 0.293 120.649 120.400 -0.072 0.000 2.644 499 D HA 0.061 4.702 4.640 0.001 0.000 0.252 499 D C 0.845 177.157 176.300 0.019 0.000 1.254 499 D CA 0.353 54.338 54.000 -0.025 0.000 0.884 499 D CB 0.096 40.895 40.800 -0.000 0.000 1.034 499 D HN 0.267 nan 8.370 nan 0.000 0.473 500 V N -0.258 119.674 119.914 0.029 0.000 3.623 500 V HA 0.043 4.163 4.120 0.001 0.000 0.283 500 V C 0.060 176.247 176.094 0.154 0.000 1.643 500 V CA -0.412 61.963 62.300 0.126 0.000 1.121 500 V CB 0.380 32.322 31.823 0.198 0.000 0.933 500 V HN 0.102 nan 8.190 nan 0.000 0.420 501 M N 1.893 121.442 119.600 -0.084 0.000 2.217 501 M HA 0.413 4.894 4.480 0.001 0.000 0.354 501 M C 0.416 176.584 176.300 -0.220 0.000 1.225 501 M CA 0.245 55.300 55.300 -0.407 0.000 1.137 501 M CB 0.141 32.403 32.600 -0.564 0.000 1.576 501 M HN 0.310 nan 8.290 nan 0.000 0.461 502 E N 2.712 122.768 120.200 -0.240 0.000 2.421 502 E HA 0.053 4.404 4.350 0.001 0.000 0.253 502 E C 0.425 176.991 176.600 -0.057 0.000 1.277 502 E CA -0.304 56.075 56.400 -0.035 0.000 0.968 502 E CB 0.513 30.256 29.700 0.072 0.000 1.040 502 E HN 0.793 nan 8.360 nan 0.000 0.512 503 L N 0.406 121.619 121.223 -0.016 0.000 2.121 503 L HA -0.078 4.263 4.340 0.001 0.000 0.200 503 L C 2.193 179.050 176.870 -0.022 0.000 1.077 503 L CA 1.206 56.010 54.840 -0.059 0.000 0.766 503 L CB -0.556 41.407 42.059 -0.160 0.000 0.931 503 L HN 0.633 nan 8.230 nan 0.000 0.452 504 Y N 1.207 121.422 120.300 -0.142 0.000 2.053 504 Y HA -0.199 4.352 4.550 0.001 0.000 0.277 504 Y C -0.624 175.241 175.900 -0.058 0.000 1.159 504 Y CA 2.164 60.197 58.100 -0.112 0.000 1.125 504 Y CB -1.941 36.426 38.460 -0.155 0.000 0.969 504 Y HN 0.200 nan 8.280 nan 0.000 0.492 505 P HA -0.241 nan 4.420 nan 0.000 0.208 505 P C 1.586 178.751 177.300 -0.224 0.000 1.189 505 P CA 2.890 65.831 63.100 -0.265 0.000 0.931 505 P CB -0.518 31.137 31.700 -0.076 0.000 0.783 506 A N -1.149 121.577 122.820 -0.157 0.000 2.104 506 A HA -0.224 4.096 4.320 0.001 0.000 0.223 506 A C 2.195 179.732 177.584 -0.080 0.000 1.164 506 A CA 1.587 53.558 52.037 -0.110 0.000 0.659 506 A CB -1.784 17.164 19.000 -0.087 0.000 0.808 506 A HN 0.143 nan 8.150 nan 0.000 0.465 507 L N -1.157 120.000 121.223 -0.110 0.000 2.109 507 L HA -0.122 4.219 4.340 0.001 0.000 0.207 507 L C 2.471 179.290 176.870 -0.085 0.000 1.086 507 L CA 0.960 55.756 54.840 -0.073 0.000 0.760 507 L CB -0.280 41.750 42.059 -0.048 0.000 0.910 507 L HN 0.420 nan 8.230 nan 0.000 0.437 508 L N -1.372 119.752 121.223 -0.165 0.000 2.102 508 L HA -0.027 4.314 4.340 0.001 0.000 0.202 508 L C 1.396 178.196 176.870 -0.116 0.000 1.076 508 L CA 0.340 55.091 54.840 -0.149 0.000 0.761 508 L CB -0.275 41.647 42.059 -0.228 0.000 0.921 508 L HN -0.065 nan 8.230 nan 0.000 0.444 509 V N 1.499 121.341 119.914 -0.119 0.000 2.670 509 V HA 0.032 4.153 4.120 0.001 0.000 0.344 509 V C 0.284 176.329 176.094 -0.082 0.000 1.648 509 V CA 0.486 62.732 62.300 -0.089 0.000 1.673 509 V CB -1.302 30.476 31.823 -0.075 0.000 1.382 509 V HN 0.303 nan 8.190 nan 0.000 0.503 510 E N 1.221 121.375 120.200 -0.077 0.000 2.393 510 E HA 0.335 4.686 4.350 0.001 0.000 0.273 510 E C -0.447 176.110 176.600 -0.071 0.000 0.918 510 E CA -1.022 55.337 56.400 -0.068 0.000 0.773 510 E CB 1.792 31.483 29.700 -0.014 0.000 1.275 510 E HN 0.271 nan 8.360 nan 0.000 0.451 511 K N 3.588 123.940 120.400 -0.079 0.000 2.294 511 K HA 0.192 4.513 4.320 0.001 0.000 0.288 511 K C -2.359 174.209 176.600 -0.053 0.000 1.072 511 K CA -1.282 54.960 56.287 -0.075 0.000 0.960 511 K CB 0.195 32.642 32.500 -0.088 0.000 1.043 511 K HN 0.136 nan 8.250 nan 0.000 0.455 512 P HA -0.020 nan 4.420 nan 0.000 0.264 512 P C -0.796 176.457 177.300 -0.079 0.000 1.193 512 P CA 0.241 63.294 63.100 -0.078 0.000 0.763 512 P CB 0.493 32.121 31.700 -0.119 0.000 0.810 513 R N 4.998 125.452 120.500 -0.076 0.000 2.590 513 R HA 0.147 4.488 4.340 0.001 0.000 0.274 513 R C -1.597 174.625 176.300 -0.130 0.000 1.061 513 R CA -1.027 54.997 56.100 -0.127 0.000 1.081 513 R CB -0.751 29.415 30.300 -0.223 0.000 0.984 513 R HN 0.471 nan 8.270 nan 0.000 0.448 514 P HA -0.343 nan 4.420 nan 0.000 0.290 514 P C -0.560 176.677 177.300 -0.105 0.000 1.746 514 P CA 1.181 64.225 63.100 -0.093 0.000 1.606 514 P CB 0.121 31.769 31.700 -0.086 0.000 0.470 515 D N -0.099 120.235 120.400 -0.110 0.000 3.085 515 D HA 0.376 5.017 4.640 0.001 0.000 0.243 515 D C 0.208 176.410 176.300 -0.164 0.000 1.232 515 D CA 0.337 54.259 54.000 -0.129 0.000 0.913 515 D CB -0.730 39.999 40.800 -0.118 0.000 1.108 515 D HN 0.269 nan 8.370 nan 0.000 0.468 516 A N 0.183 122.900 122.820 -0.171 0.000 2.313 516 A HA 0.483 4.804 4.320 0.001 0.000 0.323 516 A C 0.994 178.388 177.584 -0.317 0.000 1.133 516 A CA -0.728 51.175 52.037 -0.223 0.000 0.847 516 A CB 1.181 20.103 19.000 -0.131 0.000 1.308 516 A HN 0.292 nan 8.150 nan 0.000 0.475 517 I N -1.013 119.244 120.570 -0.521 0.000 2.876 517 I HA 0.182 4.353 4.170 0.001 0.000 0.264 517 I C -0.705 174.954 176.117 -0.763 0.000 1.204 517 I CA 0.629 61.472 61.300 -0.762 0.000 1.485 517 I CB -0.128 37.205 38.000 -1.110 0.000 1.103 517 I HN 0.478 nan 8.210 nan 0.000 0.446 518 F N -0.329 119.499 119.950 -0.203 0.000 2.631 518 F HA 0.691 5.218 4.527 0.001 0.000 0.328 518 F C 0.692 176.437 175.800 -0.091 0.000 1.067 518 F CA -0.985 56.912 58.000 -0.172 0.000 0.969 518 F CB 0.415 39.319 39.000 -0.160 0.000 1.332 518 F HN -0.280 nan 8.300 nan 0.000 0.490 519 G N -0.654 108.244 108.800 0.163 0.000 2.509 519 G HA2 0.337 4.297 3.960 0.001 0.000 0.328 519 G HA3 0.337 4.297 3.960 0.001 0.000 0.328 519 G C 0.442 175.415 174.900 0.122 0.000 1.194 519 G CA -0.420 44.738 45.100 0.097 0.000 0.967 519 G HN 0.752 nan 8.290 nan 0.000 0.488 520 E N -0.287 119.982 120.200 0.114 0.000 2.068 520 E HA -0.252 4.099 4.350 0.001 0.000 0.207 520 E C 2.250 178.892 176.600 0.070 0.000 1.032 520 E CA 2.307 58.777 56.400 0.118 0.000 0.839 520 E CB -0.398 29.370 29.700 0.114 0.000 0.758 520 E HN 0.453 nan 8.360 nan 0.000 0.457 521 T N 1.070 115.650 114.554 0.043 0.000 2.649 521 T HA -0.281 4.070 4.350 0.001 0.000 0.268 521 T C 1.802 176.463 174.700 -0.066 0.000 1.036 521 T CA 2.298 64.379 62.100 -0.031 0.000 1.157 521 T CB -0.364 68.487 68.868 -0.028 0.000 0.861 521 T HN 0.368 nan 8.240 nan 0.000 0.445 522 M N 0.473 120.052 119.600 -0.036 0.000 2.229 522 M HA 0.011 4.492 4.480 0.001 0.000 0.264 522 M C 2.004 178.247 176.300 -0.095 0.000 1.063 522 M CA 1.256 56.499 55.300 -0.094 0.000 1.114 522 M CB -0.147 32.362 32.600 -0.152 0.000 1.387 522 M HN 0.038 nan 8.290 nan 0.000 0.420 523 V N 0.437 120.349 119.914 -0.003 0.000 2.591 523 V HA -0.124 3.996 4.120 0.001 0.000 0.249 523 V C 2.304 178.425 176.094 0.046 0.000 1.053 523 V CA 1.464 63.799 62.300 0.058 0.000 1.068 523 V CB -0.620 31.309 31.823 0.177 0.000 0.689 523 V HN 0.451 nan 8.190 nan 0.000 0.462 524 E N -0.079 120.127 120.200 0.009 0.000 2.158 524 E HA -0.024 4.327 4.350 0.001 0.000 0.191 524 E C 2.178 178.675 176.600 -0.170 0.000 0.982 524 E CA 0.784 57.179 56.400 -0.007 0.000 0.823 524 E CB -0.048 29.672 29.700 0.033 0.000 0.766 524 E HN 0.445 nan 8.360 nan 0.000 0.468 525 L N -0.343 120.629 121.223 -0.418 0.000 2.162 525 L HA 0.044 4.385 4.340 0.001 0.000 0.205 525 L C 2.322 178.856 176.870 -0.560 0.000 1.086 525 L CA 1.279 55.540 54.840 -0.965 0.000 0.778 525 L CB -0.811 40.742 42.059 -0.844 0.000 0.928 525 L HN 0.153 nan 8.230 nan 0.000 0.446 526 G N -0.188 108.570 108.800 -0.071 0.000 2.396 526 G HA2 -0.135 3.825 3.960 0.001 0.000 0.214 526 G HA3 -0.135 3.825 3.960 0.001 0.000 0.214 526 G C 1.813 176.927 174.900 0.356 0.000 1.166 526 G CA 0.719 46.033 45.100 0.356 0.000 0.793 526 G HN 0.398 nan 8.290 nan 0.000 0.533 527 A N 1.693 124.626 122.820 0.188 0.000 1.917 527 A HA 0.005 4.326 4.320 0.001 0.000 0.219 527 A C 0.731 178.395 177.584 0.132 0.000 1.182 527 A CA 2.132 54.275 52.037 0.175 0.000 0.633 527 A CB -1.204 17.871 19.000 0.125 0.000 0.819 527 A HN 0.388 nan 8.150 nan 0.000 0.448 528 P HA -0.094 nan 4.420 nan 0.000 0.214 528 P C 1.127 178.493 177.300 0.110 0.000 1.162 528 P CA 0.888 64.018 63.100 0.050 0.000 0.879 528 P CB -0.196 31.517 31.700 0.022 0.000 0.786 529 F N -0.236 119.723 119.950 0.014 0.000 2.147 529 F HA -0.167 4.361 4.527 0.001 0.000 0.301 529 F C 2.622 178.119 175.800 -0.504 0.000 1.084 529 F CA 1.188 58.987 58.000 -0.335 0.000 1.268 529 F CB -1.751 36.883 39.000 -0.610 0.000 1.009 529 F HN -0.047 nan 8.300 nan 0.000 0.486 530 S N -0.442 115.294 115.700 0.061 0.000 2.395 530 S HA -0.001 4.469 4.470 0.001 0.000 0.225 530 S C 2.007 176.657 174.600 0.083 0.000 1.027 530 S CA 0.467 58.761 58.200 0.157 0.000 0.965 530 S CB -0.223 63.255 63.200 0.464 0.000 0.812 530 S HN 0.273 nan 8.310 nan 0.000 0.482 531 L N 0.568 121.842 121.223 0.086 0.000 2.478 531 L HA 0.106 4.447 4.340 0.001 0.000 0.223 531 L C 2.488 179.402 176.870 0.074 0.000 1.140 531 L CA 0.505 55.386 54.840 0.068 0.000 0.842 531 L CB -0.185 41.914 42.059 0.067 0.000 0.953 531 L HN 0.103 nan 8.230 nan 0.000 0.452 532 K N 0.858 121.289 120.400 0.052 0.000 1.992 532 K HA 0.024 4.345 4.320 0.001 0.000 0.210 532 K C 1.971 178.557 176.600 -0.025 0.000 1.036 532 K CA 1.338 57.660 56.287 0.060 0.000 0.946 532 K CB -0.798 31.692 32.500 -0.016 0.000 0.742 532 K HN 0.212 nan 8.250 nan 0.000 0.442 533 G N 1.410 110.113 108.800 -0.161 0.000 2.564 533 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 533 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 533 G C 1.337 176.123 174.900 -0.190 0.000 1.120 533 G CA 0.619 45.565 45.100 -0.258 0.000 0.752 533 G HN 0.153 nan 8.290 nan 0.000 0.558 534 L N -0.675 120.502 121.223 -0.077 0.000 2.262 534 L HA 0.358 4.699 4.340 0.001 0.000 0.197 534 L C 2.677 179.554 176.870 0.011 0.000 1.073 534 L CA 0.844 55.659 54.840 -0.041 0.000 0.800 534 L CB -0.343 41.710 42.059 -0.010 0.000 0.987 534 L HN 0.042 nan 8.230 nan 0.000 0.470 535 M N -0.646 118.988 119.600 0.058 0.000 2.193 535 M HA 0.140 4.621 4.480 0.001 0.000 0.265 535 M C 1.378 177.804 176.300 0.210 0.000 1.071 535 M CA 0.899 56.240 55.300 0.069 0.000 1.140 535 M CB -1.660 30.851 32.600 -0.148 0.000 1.369 535 M HN 0.256 nan 8.290 nan 0.000 0.423 536 G N 2.522 111.508 108.800 0.310 0.000 3.197 536 G HA2 0.023 3.984 3.960 0.001 0.000 0.257 536 G HA3 0.023 3.984 3.960 0.001 0.000 0.257 536 G C -0.054 174.932 174.900 0.143 0.000 0.835 536 G CA -0.146 45.042 45.100 0.147 0.000 2.001 536 G HN 0.365 nan 8.290 nan 0.000 0.625 537 N N 1.002 119.858 118.700 0.261 0.000 2.238 537 N HA 0.327 5.067 4.740 0.001 0.000 0.302 537 N C -1.656 173.967 175.510 0.188 0.000 1.072 537 N CA -1.985 51.153 53.050 0.146 0.000 0.792 537 N CB 3.317 41.854 38.487 0.084 0.000 1.425 537 N HN -0.101 nan 8.380 nan 0.000 0.478 538 P HA -0.171 nan 4.420 nan 0.000 0.216 538 P C 1.512 178.575 177.300 -0.396 0.000 1.154 538 P CA 1.493 64.418 63.100 -0.292 0.000 0.865 538 P CB -0.044 31.324 31.700 -0.555 0.000 0.789 539 I N -3.522 116.935 120.570 -0.189 0.000 3.083 539 I HA -0.076 4.095 4.170 0.001 0.000 0.273 539 I C 1.855 178.265 176.117 0.488 0.000 1.297 539 I CA 1.242 62.666 61.300 0.207 0.000 1.452 539 I CB -1.053 37.222 38.000 0.458 0.000 1.078 539 I HN -0.150 nan 8.210 nan 0.000 0.484 540 C N 1.110 120.615 119.300 0.342 0.000 2.673 540 C HA 0.214 4.674 4.460 0.001 0.000 0.264 540 C C 1.697 176.958 174.990 0.452 0.000 1.304 540 C CA 0.362 59.594 59.018 0.357 0.000 1.727 540 C CB -1.201 26.787 27.740 0.413 0.000 1.932 540 C HN 0.711 nan 8.230 nan 0.000 0.563 541 S N 2.142 117.922 115.700 0.134 0.000 2.548 541 S HA 0.182 4.652 4.470 0.001 0.000 0.277 541 S C -1.163 173.459 174.600 0.035 0.000 1.315 541 S CA -0.685 57.282 58.200 -0.388 0.000 1.050 541 S CB 0.764 63.590 63.200 -0.623 0.000 0.918 541 S HN 0.211 nan 8.310 nan 0.000 0.497 542 P HA -0.265 nan 4.420 nan 0.000 0.220 542 P C 0.996 178.252 177.300 -0.074 0.000 1.155 542 P CA 1.724 64.612 63.100 -0.353 0.000 0.880 542 P CB -0.061 31.224 31.700 -0.692 0.000 0.790 543 Q N -1.710 118.058 119.800 -0.053 0.000 2.167 543 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 543 Q C 2.104 178.061 176.000 -0.071 0.000 0.970 543 Q CA 1.408 57.166 55.803 -0.074 0.000 0.855 543 Q CB -0.984 27.690 28.738 -0.106 0.000 0.911 543 Q HN 0.408 nan 8.270 nan 0.000 0.438 544 Y N -1.339 118.974 120.300 0.021 0.000 2.389 544 Y HA 0.020 4.571 4.550 0.001 0.000 0.292 544 Y C 0.656 176.641 175.900 0.142 0.000 1.117 544 Y CA -0.245 57.882 58.100 0.045 0.000 1.195 544 Y CB 0.083 38.623 38.460 0.133 0.000 1.076 544 Y HN 0.210 nan 8.280 nan 0.000 0.548 545 W N 5.235 126.710 121.300 0.292 0.000 1.929 545 W HA 0.132 4.793 4.660 0.001 0.000 0.513 545 W C -0.530 176.091 176.519 0.170 0.000 0.800 545 W CA 0.520 58.100 57.345 0.393 0.000 2.023 545 W CB -0.737 29.075 29.460 0.586 0.000 1.670 545 W HN 0.097 nan 8.180 nan 0.000 0.257 546 K N 2.947 123.114 120.400 -0.387 0.000 2.610 546 K HA 0.201 4.522 4.320 0.001 0.000 0.267 546 K C -2.639 173.471 176.600 -0.818 0.000 0.943 546 K CA -1.392 54.493 56.287 -0.670 0.000 0.862 546 K CB 1.102 33.424 32.500 -0.297 0.000 1.376 546 K HN -0.234 nan 8.250 nan 0.000 0.412 547 P HA -0.372 nan 4.420 nan 0.000 0.229 547 P C 0.951 178.113 177.300 -0.231 0.000 1.147 547 P CA 2.350 65.142 63.100 -0.513 0.000 0.949 547 P CB 0.058 31.595 31.700 -0.271 0.000 0.786 548 S N -1.471 114.096 115.700 -0.220 0.000 2.370 548 S HA -0.179 4.291 4.470 0.001 0.000 0.226 548 S C 1.892 176.390 174.600 -0.171 0.000 1.033 548 S CA 2.033 60.161 58.200 -0.119 0.000 1.011 548 S CB -1.555 61.575 63.200 -0.116 0.000 0.852 548 S HN 0.335 nan 8.310 nan 0.000 0.457 549 T N 1.606 115.911 114.554 -0.415 0.000 2.737 549 T HA -0.106 4.245 4.350 0.001 0.000 0.269 549 T C 0.969 175.371 174.700 -0.497 0.000 1.040 549 T CA 1.306 63.057 62.100 -0.582 0.000 1.142 549 T CB -0.422 67.863 68.868 -0.971 0.000 0.861 549 T HN 0.449 nan 8.240 nan 0.000 0.456 550 F N 0.346 120.357 119.950 0.100 0.000 2.693 550 F HA 0.496 5.024 4.527 0.001 0.000 0.303 550 F C 1.835 177.786 175.800 0.251 0.000 1.097 550 F CA -0.421 57.692 58.000 0.189 0.000 1.330 550 F CB -0.313 38.811 39.000 0.207 0.000 1.067 550 F HN 0.270 nan 8.300 nan 0.000 0.565 551 G N -0.473 108.564 108.800 0.395 0.000 2.176 551 G HA2 0.161 4.122 3.960 0.001 0.000 0.232 551 G HA3 0.161 4.122 3.960 0.001 0.000 0.232 551 G C 0.541 175.631 174.900 0.317 0.000 0.986 551 G CA -0.216 45.190 45.100 0.510 0.000 0.643 551 G HN 1.074 nan 8.290 nan 0.000 0.522 552 G N -0.967 107.961 108.800 0.214 0.000 2.332 552 G HA2 0.450 4.410 3.960 0.001 0.000 0.265 552 G HA3 0.450 4.410 3.960 0.001 0.000 0.265 552 G C -0.083 174.889 174.900 0.120 0.000 1.329 552 G CA 0.617 45.787 45.100 0.118 0.000 0.949 552 G HN 0.759 nan 8.290 nan 0.000 0.476 553 E N -0.971 119.287 120.200 0.097 0.000 2.415 553 E HA 0.368 4.719 4.350 0.001 0.000 0.197 553 E C 2.340 179.031 176.600 0.153 0.000 1.007 553 E CA 1.025 57.516 56.400 0.153 0.000 0.890 553 E CB 0.511 30.271 29.700 0.100 0.000 0.891 553 E HN 0.341 nan 8.360 nan 0.000 0.496 554 V N -0.014 119.951 119.914 0.085 0.000 2.227 554 V HA -0.150 3.971 4.120 0.001 0.000 0.238 554 V C 2.248 178.403 176.094 0.102 0.000 1.039 554 V CA 2.070 64.402 62.300 0.053 0.000 0.990 554 V CB -1.069 30.747 31.823 -0.011 0.000 0.635 554 V HN 0.488 nan 8.190 nan 0.000 0.453 555 G N -1.135 107.741 108.800 0.127 0.000 2.532 555 G HA2 -0.341 3.620 3.960 0.001 0.000 0.222 555 G HA3 -0.341 3.620 3.960 0.001 0.000 0.222 555 G C 1.499 176.545 174.900 0.242 0.000 1.102 555 G CA 1.163 46.374 45.100 0.185 0.000 0.742 555 G HN 0.433 nan 8.290 nan 0.000 0.577 556 F N 1.147 121.141 119.950 0.073 0.000 2.163 556 F HA 0.177 4.705 4.527 0.001 0.000 0.297 556 F C 2.335 178.093 175.800 -0.070 0.000 1.094 556 F CA 1.051 59.044 58.000 -0.012 0.000 1.290 556 F CB -0.095 38.915 39.000 0.017 0.000 1.017 556 F HN -0.016 nan 8.300 nan 0.000 0.483 557 K N 0.540 120.938 120.400 -0.002 0.000 2.296 557 K HA 0.057 4.378 4.320 0.001 0.000 0.200 557 K C 2.139 178.704 176.600 -0.059 0.000 1.048 557 K CA 0.671 56.891 56.287 -0.111 0.000 0.966 557 K CB -0.520 31.954 32.500 -0.044 0.000 0.754 557 K HN 0.292 nan 8.250 nan 0.000 0.466 558 I N 0.270 120.838 120.570 -0.003 0.000 2.163 558 I HA -0.329 3.842 4.170 0.001 0.000 0.243 558 I C 1.906 178.036 176.117 0.021 0.000 1.085 558 I CA 1.410 62.723 61.300 0.021 0.000 1.347 558 I CB -0.300 37.731 38.000 0.052 0.000 1.044 558 I HN 0.104 nan 8.210 nan 0.000 0.408 559 I N 0.788 121.349 120.570 -0.015 0.000 2.142 559 I HA -0.290 3.881 4.170 0.001 0.000 0.240 559 I C 1.920 178.067 176.117 0.051 0.000 1.078 559 I CA 1.313 62.632 61.300 0.031 0.000 1.343 559 I CB -0.591 37.390 38.000 -0.032 0.000 1.046 559 I HN 0.296 nan 8.210 nan 0.000 0.405 560 N N 0.580 119.223 118.700 -0.096 0.000 2.585 560 N HA -0.108 4.632 4.740 0.001 0.000 0.188 560 N C 1.298 176.799 175.510 -0.016 0.000 1.102 560 N CA 1.673 54.669 53.050 -0.090 0.000 0.920 560 N CB -0.225 38.079 38.487 -0.306 0.000 0.963 560 N HN 0.526 nan 8.380 nan 0.000 0.447 561 T N -3.899 110.657 114.554 0.004 0.000 3.111 561 T HA 0.472 4.822 4.350 0.001 0.000 0.284 561 T C 0.508 175.228 174.700 0.032 0.000 0.983 561 T CA -0.499 61.609 62.100 0.015 0.000 0.900 561 T CB 0.269 69.136 68.868 -0.001 0.000 1.132 561 T HN 0.107 nan 8.240 nan 0.000 0.531 562 A N 2.001 124.857 122.820 0.060 0.000 2.520 562 A HA 0.600 4.921 4.320 0.001 0.000 0.235 562 A C 0.622 178.237 177.584 0.051 0.000 1.065 562 A CA 0.087 52.165 52.037 0.069 0.000 0.764 562 A CB -0.119 18.955 19.000 0.124 0.000 1.002 562 A HN 1.234 nan 8.150 nan 0.000 0.502 563 S N 0.837 116.550 115.700 0.021 0.000 2.552 563 S HA 0.402 4.873 4.470 0.001 0.000 0.272 563 S C 0.201 174.766 174.600 -0.058 0.000 1.150 563 S CA -0.147 58.045 58.200 -0.013 0.000 0.849 563 S CB 0.623 63.805 63.200 -0.030 0.000 1.113 563 S HN 1.169 nan 8.310 nan 0.000 0.458 564 I N 1.181 121.677 120.570 -0.124 0.000 2.614 564 I HA -0.039 4.131 4.170 0.001 0.000 0.258 564 I C 2.273 178.259 176.117 -0.218 0.000 1.189 564 I CA 1.726 62.905 61.300 -0.202 0.000 1.462 564 I CB -0.370 37.306 38.000 -0.541 0.000 1.092 564 I HN 0.890 nan 8.210 nan 0.000 0.442 565 Q N -0.184 119.494 119.800 -0.204 0.000 2.123 565 Q HA -0.093 4.248 4.340 0.001 0.000 0.199 565 Q C 2.300 178.235 176.000 -0.109 0.000 0.966 565 Q CA 2.084 57.783 55.803 -0.172 0.000 0.845 565 Q CB -0.397 28.267 28.738 -0.123 0.000 0.907 565 Q HN 0.441 nan 8.270 nan 0.000 0.439 566 S N -0.329 115.320 115.700 -0.084 0.000 2.387 566 S HA -0.013 4.458 4.470 0.001 0.000 0.226 566 S C 1.609 176.156 174.600 -0.088 0.000 1.026 566 S CA 0.680 58.840 58.200 -0.065 0.000 0.972 566 S CB -0.283 62.893 63.200 -0.040 0.000 0.814 566 S HN 0.411 nan 8.310 nan 0.000 0.477 567 L N 1.143 122.295 121.223 -0.119 0.000 2.012 567 L HA -0.086 4.255 4.340 0.001 0.000 0.210 567 L C 1.836 178.610 176.870 -0.160 0.000 1.073 567 L CA 1.617 56.342 54.840 -0.193 0.000 0.748 567 L CB -0.383 41.506 42.059 -0.283 0.000 0.891 567 L HN 0.242 nan 8.230 nan 0.000 0.431 568 I N -1.827 118.671 120.570 -0.119 0.000 2.353 568 I HA -0.249 3.922 4.170 0.001 0.000 0.248 568 I C 2.575 178.642 176.117 -0.084 0.000 1.119 568 I CA 0.956 62.198 61.300 -0.097 0.000 1.417 568 I CB -0.602 37.345 38.000 -0.089 0.000 1.078 568 I HN 0.392 nan 8.210 nan 0.000 0.421 569 c N 0.946 119.501 118.600 -0.075 0.000 2.388 569 c HA -0.205 4.366 4.570 0.001 0.000 0.277 569 c C 2.772 176.831 174.090 -0.052 0.000 1.210 569 c CA 1.376 57.673 56.329 -0.052 0.000 1.743 569 c CB -1.200 41.285 42.510 -0.041 0.000 2.047 569 c HN 0.540 nan 8.230 nan 0.000 0.458 570 N N 0.908 119.572 118.700 -0.059 0.000 2.309 570 N HA -0.051 4.689 4.740 0.001 0.000 0.182 570 N C 1.087 176.555 175.510 -0.069 0.000 1.018 570 N CA 1.066 54.082 53.050 -0.056 0.000 0.876 570 N CB -0.503 37.953 38.487 -0.052 0.000 0.972 570 N HN 0.674 nan 8.380 nan 0.000 0.434 571 N N 0.007 118.654 118.700 -0.087 0.000 2.250 571 N HA 0.074 4.815 4.740 0.001 0.000 0.190 571 N C -0.182 175.264 175.510 -0.106 0.000 1.116 571 N CA 0.107 53.096 53.050 -0.102 0.000 0.881 571 N CB 1.518 39.934 38.487 -0.119 0.000 1.006 571 N HN -0.059 nan 8.380 nan 0.000 0.491 572 V N 1.769 121.630 119.914 -0.088 0.000 2.472 572 V HA 0.167 4.287 4.120 0.001 0.000 0.290 572 V C 1.496 177.554 176.094 -0.059 0.000 1.037 572 V CA -0.697 61.555 62.300 -0.079 0.000 0.908 572 V CB 2.164 33.946 31.823 -0.068 0.000 0.985 572 V HN -0.100 nan 8.190 nan 0.000 0.454 573 K N 3.641 124.007 120.400 -0.056 0.000 2.206 573 K HA -0.216 4.105 4.320 0.001 0.000 0.211 573 K C 1.013 177.599 176.600 -0.023 0.000 1.047 573 K CA 2.152 58.416 56.287 -0.038 0.000 0.933 573 K CB -0.472 32.014 32.500 -0.024 0.000 0.721 573 K HN 1.042 nan 8.250 nan 0.000 0.471 574 G N -2.362 106.429 108.800 -0.015 0.000 4.613 574 G HA2 0.171 4.132 3.960 0.001 0.000 0.232 574 G HA3 0.171 4.132 3.960 0.001 0.000 0.232 574 G C -0.450 174.451 174.900 0.001 0.000 0.947 574 G CA -0.220 44.877 45.100 -0.004 0.000 0.715 574 G HN 0.238 nan 8.290 nan 0.000 0.518 575 c N 0.322 118.917 118.600 -0.008 0.000 3.603 575 c HA -0.115 4.455 4.570 0.001 0.000 0.279 575 c C -1.185 172.915 174.090 0.018 0.000 1.436 575 c CA -0.608 55.719 56.329 -0.003 0.000 2.054 575 c CB -1.750 40.761 42.510 0.003 0.000 1.341 575 c HN 0.535 nan 8.230 nan 0.000 0.608 576 P HA 0.129 nan 4.420 nan 0.000 0.262 576 P C 0.138 177.458 177.300 0.035 0.000 1.182 576 P CA 0.148 63.270 63.100 0.036 0.000 0.761 576 P CB 0.313 32.017 31.700 0.007 0.000 0.795 577 F N 4.274 124.214 119.950 -0.017 0.000 2.506 577 F HA 0.341 4.868 4.527 0.001 0.000 0.351 577 F C 0.061 175.845 175.800 -0.027 0.000 1.136 577 F CA 0.780 58.764 58.000 -0.026 0.000 1.298 577 F CB 0.357 39.345 39.000 -0.020 0.000 1.145 577 F HN 0.334 nan 8.300 nan 0.000 0.593 578 T N 2.389 116.103 114.554 -1.400 0.000 2.754 578 T HA 0.673 5.024 4.350 0.001 0.000 0.296 578 T C -0.965 173.032 174.700 -1.171 0.000 1.205 578 T CA -0.773 60.679 62.100 -1.081 0.000 1.009 578 T CB 1.358 69.925 68.868 -0.502 0.000 1.368 578 T HN 0.844 nan 8.240 nan 0.000 0.509 579 S N -1.368 113.918 115.700 -0.690 0.000 2.701 579 S HA 0.402 4.872 4.470 0.001 0.000 0.267 579 S C -1.646 172.726 174.600 -0.380 0.000 1.034 579 S CA -0.661 57.203 58.200 -0.561 0.000 0.867 579 S CB 0.068 63.105 63.200 -0.272 0.000 1.123 579 S HN 0.523 nan 8.310 nan 0.000 0.470 580 F N 2.175 122.052 119.950 -0.122 0.000 2.664 580 F HA 0.467 4.995 4.527 0.001 0.000 0.301 580 F C 0.766 176.383 175.800 -0.305 0.000 1.126 580 F CA -0.385 57.496 58.000 -0.198 0.000 1.373 580 F CB -0.436 38.393 39.000 -0.284 0.000 1.042 580 F HN 0.453 nan 8.300 nan 0.000 0.535 581 N N -0.460 118.267 118.700 0.044 0.000 2.352 581 N HA 0.250 4.991 4.740 0.001 0.000 0.291 581 N C -1.143 174.431 175.510 0.107 0.000 1.040 581 N CA -0.381 52.742 53.050 0.121 0.000 0.864 581 N CB 1.928 40.535 38.487 0.201 0.000 1.440 581 N HN -0.137 nan 8.380 nan 0.000 0.483 582 V N 5.799 125.762 119.914 0.081 0.000 2.324 582 V HA 0.055 4.175 4.120 0.001 0.000 0.244 582 V C 0.267 176.410 176.094 0.082 0.000 1.144 582 V CA -0.206 62.142 62.300 0.080 0.000 1.158 582 V CB -1.125 30.726 31.823 0.047 0.000 1.254 582 V HN 0.839 nan 8.190 nan 0.000 0.492 583 Q N 0.000 119.876 119.800 0.126 0.000 2.315 583 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 583 Q CA 0.000 55.865 55.803 0.103 0.000 1.022 583 Q CB 0.000 28.790 28.738 0.086 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481