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 1cx2_1_A 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 0.000 177.633 177.584 0.082 0.000 1.274 33 A CA 0.000 52.086 52.037 0.081 0.000 0.836 33 A CB 0.000 19.071 19.000 0.118 0.000 0.831 34 N N 3.010 121.751 118.700 0.068 0.000 2.068 34 N HA -0.103 nan 4.740 nan 0.000 0.290 34 N C 0.042 175.574 175.510 0.036 0.000 1.372 34 N CA -1.207 51.873 53.050 0.051 0.000 0.863 34 N CB 0.082 38.583 38.487 0.024 0.000 1.174 34 N HN -0.183 8.584 8.380 0.067 -0.346 0.494 35 P HA -0.178 nan 4.420 nan 0.000 0.222 35 P C -0.116 177.139 177.300 -0.075 0.000 1.142 35 P CA 1.730 64.865 63.100 0.058 0.000 0.788 35 P CB -0.050 31.752 31.700 0.170 0.000 0.767 36 c N -2.714 115.844 118.600 -0.070 0.000 2.697 36 c HA 0.161 nan 4.570 nan 0.000 0.267 36 c C 2.427 176.432 174.090 -0.142 0.000 1.278 36 c CA 0.686 56.918 56.329 -0.161 0.000 1.708 36 c CB -2.001 40.467 42.510 -0.071 0.000 1.860 36 c HN 0.013 8.552 8.230 -0.007 -0.313 0.589 37 c N 1.903 120.448 118.600 -0.092 0.000 2.393 37 c HA -0.354 nan 4.570 nan 0.000 0.276 37 c C 0.875 174.912 174.090 -0.089 0.000 1.215 37 c CA 4.045 60.333 56.329 -0.068 0.000 1.743 37 c CB -0.984 41.505 42.510 -0.035 0.000 2.044 37 c HN 0.101 8.106 8.230 -0.067 0.185 0.464 38 S N -1.553 114.078 115.700 -0.115 0.000 2.727 38 S HA -0.153 nan 4.470 nan 0.000 0.226 38 S C -0.299 174.212 174.600 -0.148 0.000 0.963 38 S CA 0.385 58.516 58.200 -0.115 0.000 0.950 38 S CB -0.398 62.739 63.200 -0.105 0.000 0.779 38 S HN -0.072 8.162 8.310 -0.127 0.000 0.532 39 N N 0.433 119.032 118.700 -0.168 0.000 2.708 39 N HA -0.282 nan 4.740 nan 0.000 0.251 39 N C -1.845 173.554 175.510 -0.185 0.000 1.017 39 N CA 0.538 53.488 53.050 -0.167 0.000 0.742 39 N CB -1.350 37.063 38.487 -0.124 0.000 0.943 39 N HN -0.259 7.826 8.380 -0.162 0.198 0.539 40 P HA -0.169 nan 4.420 nan 0.000 0.215 40 P C -0.164 177.088 177.300 -0.080 0.000 1.163 40 P CA 0.876 63.824 63.100 -0.255 0.000 0.894 40 P CB 0.418 31.681 31.700 -0.728 0.000 0.791 41 c N -0.912 117.660 118.600 -0.047 0.000 2.657 41 c HA -0.021 nan 4.570 nan 0.000 0.404 41 c C 0.314 174.384 174.090 -0.033 0.000 1.369 41 c CA -0.613 55.733 56.329 0.029 0.000 1.665 41 c CB -1.707 40.844 42.510 0.069 0.000 2.453 41 c HN -0.237 7.921 8.230 -0.119 0.000 0.599 42 Q N 4.994 124.765 119.800 -0.049 0.000 2.199 42 Q HA 0.160 nan 4.340 nan 0.000 0.205 42 Q C 0.181 176.112 176.000 -0.116 0.000 1.001 42 Q CA -1.716 54.023 55.803 -0.106 0.000 1.019 42 Q CB 1.578 30.224 28.738 -0.154 0.000 1.132 42 Q HN 0.784 8.931 8.270 -0.029 0.106 0.530 43 N N -1.353 117.242 118.700 -0.177 0.000 2.678 43 N HA -0.426 nan 4.740 nan 0.000 0.250 43 N C -0.596 174.921 175.510 0.011 0.000 1.136 43 N CA 1.969 54.933 53.050 -0.144 0.000 0.757 43 N CB -0.812 37.474 38.487 -0.334 0.000 1.135 43 N HN 0.644 8.906 8.380 -0.196 0.000 0.565 44 R N -9.758 110.735 120.500 -0.012 0.000 3.004 44 R HA -0.251 nan 4.340 nan 0.000 0.465 44 R C -0.192 176.131 176.300 0.037 0.000 0.527 44 R CA 0.479 56.586 56.100 0.013 0.000 1.419 44 R CB -1.828 28.501 30.300 0.049 0.000 2.058 44 R HN 0.226 8.396 8.270 -0.049 0.071 0.353 45 G N 0.038 108.868 108.800 0.050 0.000 2.225 45 G HA2 -0.161 nan 3.960 nan 0.000 0.245 45 G HA3 -0.161 nan 3.960 nan 0.000 0.245 45 G C -0.536 174.403 174.900 0.066 0.000 1.249 45 G CA 0.042 45.185 45.100 0.072 0.000 0.919 45 G HN -0.499 7.747 8.290 0.041 0.068 0.486 46 E N 3.486 123.736 120.200 0.084 0.000 2.344 46 E HA -0.044 nan 4.350 nan 0.000 0.270 46 E C -0.336 176.329 176.600 0.108 0.000 1.021 46 E CA 0.614 57.072 56.400 0.097 0.000 0.887 46 E CB 1.562 31.340 29.700 0.130 0.000 0.997 46 E HN -0.383 8.029 8.360 0.088 0.000 0.429 47 c N 5.313 123.970 118.600 0.096 0.000 2.401 47 c HA 0.648 nan 4.570 nan 0.000 0.365 47 c C -1.109 173.068 174.090 0.146 0.000 1.250 47 c CA -1.249 55.162 56.329 0.137 0.000 2.131 47 c CB 0.437 42.970 42.510 0.038 0.000 2.445 47 c HN 0.394 8.662 8.230 0.064 0.000 0.550 48 M N 6.329 126.044 119.600 0.192 0.000 2.326 48 M HA 0.343 nan 4.480 nan 0.000 0.292 48 M C -1.437 174.957 176.300 0.157 0.000 1.081 48 M CA -2.377 53.013 55.300 0.150 0.000 0.919 48 M CB 4.624 37.292 32.600 0.113 0.000 1.634 48 M HN 0.817 9.265 8.290 0.264 0.000 0.451 49 S N 4.262 120.034 115.700 0.119 0.000 2.670 49 S HA 0.070 nan 4.470 nan 0.000 0.328 49 S C 0.679 175.310 174.600 0.050 0.000 1.179 49 S CA 0.342 58.598 58.200 0.094 0.000 1.194 49 S CB -0.839 62.392 63.200 0.051 0.000 1.359 49 S HN 0.570 8.946 8.310 0.109 0.000 0.555 50 T N -1.464 113.128 114.554 0.064 0.000 3.406 50 T HA 0.130 nan 4.350 nan 0.000 0.244 50 T C -0.160 174.557 174.700 0.028 0.000 0.949 50 T CA -0.755 61.361 62.100 0.028 0.000 0.926 50 T CB -1.154 67.724 68.868 0.015 0.000 1.089 50 T HN 0.210 8.437 8.240 0.103 0.074 0.604 51 G N 0.879 109.686 108.800 0.012 0.000 2.370 51 G HA2 -0.195 nan 3.960 nan 0.000 0.225 51 G HA3 -0.195 nan 3.960 nan 0.000 0.225 51 G C -0.902 174.135 174.900 0.228 0.000 1.109 51 G CA -0.168 44.968 45.100 0.060 0.000 0.871 51 G HN -0.250 7.941 8.290 -0.018 0.088 0.498 52 F N -1.726 118.256 119.950 0.054 0.000 2.540 52 F HA -0.547 nan 4.527 nan 0.000 0.722 52 F C -0.588 175.247 175.800 0.058 0.000 0.486 52 F CA 3.341 61.371 58.000 0.051 0.000 0.756 52 F CB -1.447 37.578 39.000 0.040 0.000 1.620 52 F HN 0.073 8.309 8.300 -0.107 0.000 0.271 53 D N -0.987 119.594 120.400 0.301 0.000 2.333 53 D HA -0.044 nan 4.640 nan 0.000 0.208 53 D C 0.197 176.600 176.300 0.170 0.000 0.984 53 D CA 0.796 54.908 54.000 0.186 0.000 0.873 53 D CB 0.529 41.412 40.800 0.138 0.000 0.935 53 D HN -0.188 8.321 8.370 0.354 0.073 0.521 54 Q N -2.101 117.798 119.800 0.165 0.000 2.333 54 Q HA 0.184 nan 4.340 nan 0.000 0.266 54 Q C -2.222 173.903 176.000 0.208 0.000 1.053 54 Q CA -0.750 55.140 55.803 0.145 0.000 0.890 54 Q CB 3.143 31.917 28.738 0.060 0.000 1.337 54 Q HN -0.630 7.594 8.270 0.170 0.148 0.474 55 Y N -6.550 113.770 120.300 0.034 0.000 2.677 55 Y HA 0.297 nan 4.550 nan 0.000 0.334 55 Y C -2.326 173.590 175.900 0.026 0.000 1.196 55 Y CA -1.256 56.861 58.100 0.028 0.000 1.059 55 Y CB 3.015 41.490 38.460 0.026 0.000 1.315 55 Y HN -0.141 8.076 8.280 -0.105 0.000 0.455 56 K N -0.958 119.423 120.400 -0.032 0.000 2.508 56 K HA 0.425 nan 4.320 nan 0.000 0.260 56 K C -2.043 174.632 176.600 0.126 0.000 0.949 56 K CA -1.722 54.503 56.287 -0.104 0.000 0.834 56 K CB 5.135 37.607 32.500 -0.047 0.000 1.365 56 K HN 0.231 8.603 8.250 0.203 0.000 0.437 57 c N 0.910 119.567 118.600 0.095 0.000 2.281 57 c HA 0.417 nan 4.570 nan 0.000 0.325 57 c C -0.075 174.073 174.090 0.097 0.000 1.282 57 c CA -0.821 55.595 56.329 0.146 0.000 1.640 57 c CB 0.056 42.664 42.510 0.164 0.000 2.288 57 c HN 0.685 8.921 8.230 0.010 0.000 0.507 58 D N 5.761 126.219 120.400 0.096 0.000 2.558 58 D HA 0.166 nan 4.640 nan 0.000 0.221 58 D C 0.256 176.608 176.300 0.086 0.000 1.143 58 D CA -0.814 53.234 54.000 0.080 0.000 1.010 58 D CB -0.906 39.939 40.800 0.076 0.000 1.068 58 D HN 0.685 8.992 8.370 0.107 0.128 0.511 59 c N 1.360 120.017 118.600 0.095 0.000 2.485 59 c HA -0.060 nan 4.570 nan 0.000 0.283 59 c C -0.518 173.635 174.090 0.105 0.000 1.478 59 c CA 0.569 56.969 56.329 0.118 0.000 1.741 59 c CB -1.600 41.001 42.510 0.152 0.000 1.675 59 c HN -0.294 7.948 8.230 0.092 0.043 0.573 60 T N -1.832 112.768 114.554 0.077 0.000 2.905 60 T HA -0.241 nan 4.350 nan 0.000 0.299 60 T C 0.431 175.166 174.700 0.058 0.000 1.024 60 T CA 0.381 62.514 62.100 0.056 0.000 1.151 60 T CB -0.273 68.619 68.868 0.041 0.000 0.987 60 T HN -0.443 7.736 8.240 0.071 0.104 0.535 61 R N 0.147 120.675 120.500 0.046 0.000 3.651 61 R HA -0.242 nan 4.340 nan 0.000 0.292 61 R C -0.751 175.587 176.300 0.063 0.000 1.161 61 R CA 1.014 57.139 56.100 0.042 0.000 0.787 61 R CB -1.044 29.277 30.300 0.036 0.000 1.249 61 R HN 0.472 8.765 8.270 0.037 0.000 0.476 62 T N -6.694 107.915 114.554 0.091 0.000 2.870 62 T HA 0.375 nan 4.350 nan 0.000 0.277 62 T C 0.031 174.791 174.700 0.100 0.000 1.000 62 T CA -1.528 60.659 62.100 0.145 0.000 0.982 62 T CB 2.690 71.695 68.868 0.228 0.000 1.249 62 T HN -0.542 7.728 8.240 0.091 0.024 0.589 63 G N -1.116 107.742 108.800 0.097 0.000 3.126 63 G HA2 0.345 nan 3.960 nan 0.000 0.224 63 G HA3 0.345 nan 3.960 nan 0.000 0.224 63 G C -1.750 172.879 174.900 -0.451 0.000 1.142 63 G CA -0.106 44.855 45.100 -0.232 0.000 0.759 63 G HN 0.561 9.032 8.290 0.301 0.000 0.550 64 F N -0.171 119.855 119.950 0.126 0.000 2.593 64 F HA 0.762 nan 4.527 nan 0.000 0.320 64 F C -2.224 173.725 175.800 0.249 0.000 1.060 64 F CA -1.951 56.148 58.000 0.165 0.000 0.940 64 F CB 3.135 42.156 39.000 0.036 0.000 1.268 64 F HN -0.517 7.935 8.300 0.373 0.072 0.475 65 Y N -4.523 115.892 120.300 0.191 0.000 2.876 65 Y HA 0.304 nan 4.550 nan 0.000 0.317 65 Y C -1.258 174.695 175.900 0.089 0.000 1.369 65 Y CA -2.528 55.635 58.100 0.104 0.000 1.101 65 Y CB 1.430 39.921 38.460 0.052 0.000 1.346 65 Y HN 0.804 9.062 8.280 0.139 0.105 0.505 66 G N -2.414 106.470 108.800 0.141 0.000 2.777 66 G HA2 -0.300 nan 3.960 nan 0.000 0.686 66 G HA3 -0.300 nan 3.960 nan 0.000 0.686 66 G C 0.251 175.166 174.900 0.026 0.000 1.177 66 G CA -0.496 44.612 45.100 0.013 0.000 0.775 66 G HN 0.216 8.684 8.290 0.296 0.000 0.613 67 E N 3.378 123.586 120.200 0.014 0.000 2.451 67 E HA -0.508 nan 4.350 nan 0.000 0.241 67 E C -0.225 176.405 176.600 0.049 0.000 1.139 67 E CA 3.249 59.651 56.400 0.002 0.000 1.034 67 E CB -0.107 29.579 29.700 -0.023 0.000 0.867 67 E HN 0.568 8.934 8.360 0.010 0.000 0.459 68 N N -5.935 112.795 118.700 0.051 0.000 2.187 68 N HA 0.180 nan 4.740 nan 0.000 0.212 68 N C -1.345 174.184 175.510 0.031 0.000 1.152 68 N CA -1.052 52.041 53.050 0.073 0.000 0.872 68 N CB 0.918 39.435 38.487 0.050 0.000 1.025 68 N HN -0.236 8.107 8.380 0.018 0.048 0.514 69 c N -1.770 116.857 118.600 0.045 0.000 3.827 69 c HA -0.358 nan 4.570 nan 0.000 0.304 69 c C 0.051 174.117 174.090 -0.041 0.000 1.201 69 c CA 0.872 57.248 56.329 0.079 0.000 2.253 69 c CB -3.401 39.164 42.510 0.091 0.000 1.398 69 c HN 0.787 8.946 8.230 0.057 0.106 0.601 70 T N -5.588 108.937 114.554 -0.048 0.000 3.098 70 T HA 0.108 nan 4.350 nan 0.000 0.256 70 T C 0.185 174.908 174.700 0.039 0.000 0.921 70 T CA 0.334 62.310 62.100 -0.206 0.000 0.916 70 T CB 2.167 70.934 68.868 -0.169 0.000 1.246 70 T HN 0.137 8.368 8.240 -0.014 0.000 0.511 71 T N 4.656 119.182 114.554 -0.047 0.000 2.794 71 T HA 0.473 nan 4.350 nan 0.000 0.296 71 T C -2.260 172.388 174.700 -0.086 0.000 0.949 71 T CA -2.683 59.302 62.100 -0.192 0.000 1.101 71 T CB -0.233 68.283 68.868 -0.586 0.000 0.905 71 T HN -0.332 7.814 8.240 -0.157 0.000 0.516 72 P HA 0.507 nan 4.420 nan 0.000 0.281 72 P C -0.896 176.497 177.300 0.155 0.000 1.264 72 P CA -1.144 61.893 63.100 -0.105 0.000 0.824 72 P CB 1.407 32.963 31.700 -0.241 0.000 1.092 73 E N -0.353 119.876 120.200 0.048 0.000 2.319 73 E HA 0.130 nan 4.350 nan 0.000 0.268 73 E C 1.549 178.162 176.600 0.022 0.000 1.050 73 E CA -0.685 55.746 56.400 0.053 0.000 0.878 73 E CB 0.873 30.548 29.700 -0.042 0.000 1.066 73 E HN -0.431 7.835 8.360 -0.157 0.000 0.406 74 F N 3.730 123.678 119.950 -0.003 0.000 2.063 74 F HA -0.398 nan 4.527 nan 0.000 0.298 74 F C 2.063 177.841 175.800 -0.038 0.000 1.109 74 F CA 3.977 61.970 58.000 -0.012 0.000 1.212 74 F CB -0.346 38.650 39.000 -0.007 0.000 0.973 74 F HN 0.557 8.936 8.300 0.132 0.000 0.480 75 L N -2.922 118.406 121.223 0.175 0.000 2.064 75 L HA -0.449 nan 4.340 nan 0.000 0.216 75 L C 1.473 178.357 176.870 0.023 0.000 1.077 75 L CA 3.501 58.381 54.840 0.065 0.000 0.766 75 L CB -0.848 41.218 42.059 0.012 0.000 0.890 75 L HN 0.004 8.331 8.230 0.161 0.000 0.435 76 T N 0.783 115.310 114.554 -0.044 0.000 2.595 76 T HA -0.442 nan 4.350 nan 0.000 0.264 76 T C 2.039 176.714 174.700 -0.041 0.000 1.058 76 T CA 4.366 66.382 62.100 -0.141 0.000 1.166 76 T CB -0.713 67.912 68.868 -0.405 0.000 0.863 76 T HN -0.456 7.666 8.240 -0.053 0.086 0.415 77 R N 1.104 121.607 120.500 0.004 0.000 2.162 77 R HA -0.489 nan 4.340 nan 0.000 0.245 77 R C 2.154 178.519 176.300 0.108 0.000 1.129 77 R CA 3.441 59.589 56.100 0.079 0.000 0.940 77 R CB -0.571 29.812 30.300 0.139 0.000 0.875 77 R HN -0.577 7.682 8.270 -0.019 0.000 0.437 78 I N -1.256 119.395 120.570 0.135 0.000 2.151 78 I HA -0.485 nan 4.170 nan 0.000 0.243 78 I C 2.173 178.320 176.117 0.051 0.000 1.080 78 I CA 3.455 64.805 61.300 0.085 0.000 1.339 78 I CB -0.432 37.601 38.000 0.055 0.000 1.039 78 I HN -0.089 8.238 8.210 0.186 -0.006 0.409 79 K N -1.280 119.141 120.400 0.036 0.000 1.965 79 K HA -0.269 nan 4.320 nan 0.000 0.214 79 K C 2.273 178.902 176.600 0.048 0.000 1.046 79 K CA 2.915 59.219 56.287 0.029 0.000 0.944 79 K CB 0.241 32.746 32.500 0.008 0.000 0.726 79 K HN -0.494 7.690 8.250 0.030 0.084 0.441 80 L N -1.182 120.076 121.223 0.058 0.000 2.011 80 L HA -0.393 nan 4.340 nan 0.000 0.225 80 L C 2.199 179.114 176.870 0.075 0.000 1.084 80 L CA 3.013 57.904 54.840 0.084 0.000 0.791 80 L CB -0.473 41.653 42.059 0.112 0.000 0.898 80 L HN 0.200 8.455 8.230 0.043 0.000 0.440 81 L N -4.163 117.103 121.223 0.071 0.000 2.821 81 L HA -0.258 nan 4.340 nan 0.000 0.254 81 L C 0.807 177.708 176.870 0.051 0.000 1.151 81 L CA 1.930 56.807 54.840 0.063 0.000 0.937 81 L CB -0.892 41.209 42.059 0.070 0.000 1.141 81 L HN 0.105 8.379 8.230 0.075 0.000 0.425 82 L N -2.133 119.119 121.223 0.049 0.000 3.695 82 L HA 0.144 nan 4.340 nan 0.000 0.349 82 L C -1.275 175.621 176.870 0.044 0.000 1.304 82 L CA 0.303 55.166 54.840 0.038 0.000 1.078 82 L CB 1.780 43.856 42.059 0.029 0.000 1.440 82 L HN 0.070 8.120 8.230 0.056 0.213 0.620 83 K N 0.588 121.023 120.400 0.059 0.000 2.206 83 K HA 0.480 nan 4.320 nan 0.000 0.264 83 K C -2.036 174.609 176.600 0.076 0.000 0.967 83 K CA -2.723 53.608 56.287 0.072 0.000 0.844 83 K CB 0.883 33.437 32.500 0.090 0.000 1.099 83 K HN -0.181 8.020 8.250 0.062 0.087 0.441 84 P HA 0.084 nan 4.420 nan 0.000 0.292 84 P C -0.998 176.368 177.300 0.110 0.000 1.287 84 P CA -0.410 62.742 63.100 0.085 0.000 0.800 84 P CB 0.840 32.586 31.700 0.077 0.000 0.945 85 T N 5.503 120.120 114.554 0.105 0.000 2.939 85 T HA -0.039 nan 4.350 nan 0.000 0.312 85 T C 0.339 175.128 174.700 0.149 0.000 1.064 85 T CA -0.710 61.460 62.100 0.116 0.000 1.136 85 T CB -0.683 68.245 68.868 0.100 0.000 1.035 85 T HN 0.335 8.628 8.240 0.089 0.000 0.538 86 P HA -0.207 nan 4.420 nan 0.000 0.220 86 P C 0.696 178.138 177.300 0.237 0.000 1.144 86 P CA 2.552 65.770 63.100 0.197 0.000 0.800 86 P CB -0.053 31.756 31.700 0.180 0.000 0.772 87 N N -2.101 116.719 118.700 0.200 0.000 2.220 87 N HA -0.136 nan 4.740 nan 0.000 0.182 87 N C 1.576 177.245 175.510 0.266 0.000 1.023 87 N CA 3.405 56.589 53.050 0.222 0.000 0.856 87 N CB -0.597 37.977 38.487 0.144 0.000 0.997 87 N HN 0.309 8.740 8.380 0.162 0.047 0.429 88 T N -1.057 113.614 114.554 0.195 0.000 3.007 88 T HA -0.087 nan 4.350 nan 0.000 0.270 88 T C 2.228 177.068 174.700 0.233 0.000 1.107 88 T CA 3.008 65.217 62.100 0.183 0.000 1.118 88 T CB -0.540 68.392 68.868 0.108 0.000 0.889 88 T HN -0.638 7.609 8.240 0.159 0.089 0.506 89 V N 2.822 122.874 119.914 0.230 0.000 2.426 89 V HA -0.192 nan 4.120 nan 0.000 0.242 89 V C 1.315 177.545 176.094 0.226 0.000 1.036 89 V CA 4.240 66.661 62.300 0.202 0.000 1.044 89 V CB -0.709 31.224 31.823 0.182 0.000 0.688 89 V HN 0.241 8.488 8.190 0.223 0.077 0.462 90 H N 1.272 120.465 119.070 0.205 0.000 2.353 90 H HA -0.356 nan 4.556 nan 0.000 0.300 90 H C 1.610 177.107 175.328 0.281 0.000 1.090 90 H CA 4.240 60.420 56.048 0.219 0.000 1.327 90 H CB 0.368 30.270 29.762 0.233 0.000 1.383 90 H HN -0.285 8.017 8.280 0.377 0.204 0.508 91 Y N -0.462 120.093 120.300 0.425 0.000 2.030 91 Y HA -0.499 nan 4.550 nan 0.000 0.274 91 Y C 1.839 178.095 175.900 0.595 0.000 1.153 91 Y CA 4.280 62.675 58.100 0.492 0.000 1.115 91 Y CB -0.189 38.440 38.460 0.281 0.000 0.969 91 Y HN 0.353 8.877 8.280 0.583 0.106 0.488 92 I N -2.532 118.454 120.570 0.693 0.000 2.113 92 I HA -0.641 nan 4.170 nan 0.000 0.242 92 I C 2.110 178.625 176.117 0.664 0.000 1.064 92 I CA 3.621 65.366 61.300 0.742 0.000 1.320 92 I CB -0.368 37.889 38.000 0.429 0.000 1.028 92 I HN -0.783 7.828 8.210 0.668 0.000 0.406 93 L N -1.794 119.571 121.223 0.237 0.000 2.187 93 L HA -0.350 nan 4.340 nan 0.000 0.213 93 L C 1.469 178.160 176.870 -0.299 0.000 1.100 93 L CA 2.901 57.557 54.840 -0.307 0.000 0.765 93 L CB -0.739 40.876 42.059 -0.741 0.000 0.904 93 L HN -0.526 7.822 8.230 0.195 0.000 0.437 94 T N -3.274 111.261 114.554 -0.031 0.000 3.014 94 T HA 0.030 nan 4.350 nan 0.000 0.250 94 T C 0.521 175.176 174.700 -0.074 0.000 1.060 94 T CA 1.211 63.250 62.100 -0.101 0.000 1.040 94 T CB 0.158 68.960 68.868 -0.110 0.000 0.971 94 T HN -0.343 7.809 8.240 0.098 0.147 0.497 95 H N 0.119 119.270 119.070 0.135 0.000 2.748 95 H HA 0.201 nan 4.556 nan 0.000 0.288 95 H C 0.599 176.109 175.328 0.303 0.000 1.539 95 H CA -0.733 55.279 56.048 -0.060 0.000 1.577 95 H CB 2.052 31.272 29.762 -0.903 0.000 1.721 95 H HN -0.275 8.103 8.280 0.356 0.115 0.869 96 F N -6.047 114.034 119.950 0.217 0.000 3.090 96 F HA -0.396 nan 4.527 nan 0.000 0.282 96 F C 0.667 176.408 175.800 -0.100 0.000 0.923 96 F CA 0.271 58.309 58.000 0.063 0.000 0.977 96 F CB -2.618 36.398 39.000 0.027 0.000 0.954 96 F HN 0.555 8.492 8.300 -0.605 0.000 0.695 97 K N 1.009 121.203 120.400 -0.343 0.000 2.081 97 K HA -0.492 nan 4.320 nan 0.000 0.222 97 K C 1.887 178.411 176.600 -0.128 0.000 1.055 97 K CA 3.439 59.330 56.287 -0.660 0.000 0.954 97 K CB -0.348 32.006 32.500 -0.244 0.000 0.732 97 K HN 0.096 8.185 8.250 -0.267 0.000 0.458 98 G N -3.415 105.364 108.800 -0.035 0.000 2.476 98 G HA2 -0.262 nan 3.960 nan 0.000 0.218 98 G HA3 -0.262 nan 3.960 nan 0.000 0.218 98 G C 1.598 176.488 174.900 -0.016 0.000 1.164 98 G CA 1.929 47.030 45.100 0.000 0.000 0.768 98 G HN 0.045 8.316 8.290 -0.031 0.000 0.560 99 V N 2.597 122.472 119.914 -0.065 0.000 2.233 99 V HA -0.402 nan 4.120 nan 0.000 0.247 99 V C 1.954 177.929 176.094 -0.198 0.000 1.050 99 V CA 3.773 65.951 62.300 -0.204 0.000 1.010 99 V CB -0.550 31.041 31.823 -0.387 0.000 0.637 99 V HN -0.410 7.764 8.190 -0.026 0.000 0.444 100 W N -2.613 118.680 121.300 -0.011 0.000 2.341 100 W HA -0.469 nan 4.660 nan 0.000 0.283 100 W C 2.272 178.827 176.519 0.060 0.000 1.215 100 W CA 3.504 60.879 57.345 0.051 0.000 1.211 100 W CB -0.813 28.699 29.460 0.086 0.000 1.131 100 W HN -0.494 7.577 8.180 -0.181 0.000 0.552 101 N N -0.135 118.681 118.700 0.194 0.000 2.080 101 N HA -0.287 nan 4.740 nan 0.000 0.189 101 N C 2.152 177.715 175.510 0.087 0.000 1.036 101 N CA 3.357 56.487 53.050 0.134 0.000 0.846 101 N CB -0.430 38.105 38.487 0.081 0.000 1.015 101 N HN -0.220 8.104 8.380 0.136 0.138 0.423 102 I N 0.685 121.272 120.570 0.028 0.000 2.208 102 I HA -0.494 nan 4.170 nan 0.000 0.245 102 I C 1.542 177.651 176.117 -0.014 0.000 1.097 102 I CA 4.326 65.619 61.300 -0.012 0.000 1.363 102 I CB -0.183 37.781 38.000 -0.061 0.000 1.051 102 I HN 0.027 8.161 8.210 0.009 0.081 0.413 103 V N 0.867 120.785 119.914 0.006 0.000 2.255 103 V HA -0.500 nan 4.120 nan 0.000 0.247 103 V C 1.665 177.846 176.094 0.146 0.000 1.051 103 V CA 4.181 66.510 62.300 0.048 0.000 1.018 103 V CB -0.462 31.445 31.823 0.140 0.000 0.641 103 V HN 0.324 8.334 8.190 -0.005 0.178 0.445 104 N N -2.773 116.069 118.700 0.236 0.000 2.719 104 N HA -0.255 nan 4.740 nan 0.000 0.207 104 N C 0.459 176.031 175.510 0.104 0.000 1.551 104 N CA 0.347 53.510 53.050 0.187 0.000 0.914 104 N CB -1.671 36.911 38.487 0.159 0.000 1.215 104 N HN -0.044 8.395 8.380 0.285 0.112 0.480 105 I N -0.290 120.248 120.570 -0.054 0.000 2.730 105 I HA -0.386 nan 4.170 nan 0.000 0.128 105 I C -1.284 174.746 176.117 -0.145 0.000 0.882 105 I CA 0.632 61.805 61.300 -0.212 0.000 2.783 105 I CB -0.992 36.672 38.000 -0.561 0.000 0.550 105 I HN -0.339 7.837 8.210 -0.058 0.000 0.352 106 P HA -0.189 nan 4.420 nan 0.000 0.216 106 P C -0.011 177.381 177.300 0.153 0.000 1.153 106 P CA 2.327 65.504 63.100 0.129 0.000 0.848 106 P CB -0.089 31.721 31.700 0.185 0.000 0.787 107 F N -7.601 112.393 119.950 0.074 0.000 2.772 107 F HA 0.031 nan 4.527 nan 0.000 0.301 107 F C -0.657 175.180 175.800 0.061 0.000 1.250 107 F CA 0.219 58.257 58.000 0.064 0.000 1.441 107 F CB -1.229 37.800 39.000 0.048 0.000 1.112 107 F HN -0.237 8.364 8.300 0.501 0.000 0.563 108 L N -1.565 119.562 121.223 -0.160 0.000 2.678 108 L HA 0.102 nan 4.340 nan 0.000 0.211 108 L C 1.306 178.177 176.870 0.001 0.000 1.043 108 L CA 0.619 55.366 54.840 -0.156 0.000 0.881 108 L CB 1.447 43.313 42.059 -0.321 0.000 1.361 108 L HN -0.193 7.751 8.230 -0.125 0.210 0.484 109 R N 1.102 121.670 120.500 0.113 0.000 2.094 109 R HA -0.496 nan 4.340 nan 0.000 0.239 109 R C 1.946 178.451 176.300 0.341 0.000 1.137 109 R CA 4.484 60.821 56.100 0.394 0.000 0.943 109 R CB 0.030 30.561 30.300 0.385 0.000 0.850 109 R HN 0.171 8.471 8.270 0.050 0.000 0.433 110 S N -0.328 115.505 115.700 0.221 0.000 2.359 110 S HA -0.333 nan 4.470 nan 0.000 0.224 110 S C 2.329 177.009 174.600 0.135 0.000 1.035 110 S CA 3.201 61.507 58.200 0.178 0.000 1.018 110 S CB -0.807 62.480 63.200 0.145 0.000 0.876 110 S HN -0.556 7.864 8.310 0.184 0.000 0.448 111 L N 2.446 123.727 121.223 0.097 0.000 2.012 111 L HA -0.312 nan 4.340 nan 0.000 0.210 111 L C 2.311 179.212 176.870 0.051 0.000 1.073 111 L CA 2.812 57.694 54.840 0.071 0.000 0.748 111 L CB -0.294 41.788 42.059 0.037 0.000 0.891 111 L HN -0.257 7.947 8.230 0.095 0.083 0.431 112 I N -1.149 119.394 120.570 -0.045 0.000 2.142 112 I HA -0.494 nan 4.170 nan 0.000 0.240 112 I C 2.156 178.250 176.117 -0.039 0.000 1.078 112 I CA 3.027 64.200 61.300 -0.212 0.000 1.343 112 I CB -0.990 36.544 38.000 -0.777 0.000 1.046 112 I HN 0.107 8.213 8.210 -0.044 0.077 0.405 113 M N 0.042 119.725 119.600 0.139 0.000 2.082 113 M HA -0.475 nan 4.480 nan 0.000 0.258 113 M C 1.686 178.094 176.300 0.180 0.000 1.069 113 M CA 3.257 58.743 55.300 0.310 0.000 1.102 113 M CB -0.493 32.324 32.600 0.361 0.000 1.336 113 M HN 0.452 8.742 8.290 0.188 0.114 0.404 114 K N -1.652 118.829 120.400 0.135 0.000 2.074 114 K HA -0.435 nan 4.320 nan 0.000 0.209 114 K C 1.791 178.442 176.600 0.086 0.000 1.048 114 K CA 3.647 59.984 56.287 0.085 0.000 0.926 114 K CB -0.215 32.337 32.500 0.088 0.000 0.713 114 K HN 0.168 8.382 8.250 0.141 0.120 0.444 115 Y N -0.947 119.373 120.300 0.035 0.000 2.163 115 Y HA -0.365 nan 4.550 nan 0.000 0.288 115 Y C 1.846 177.787 175.900 0.067 0.000 1.136 115 Y CA 3.572 61.696 58.100 0.040 0.000 1.147 115 Y CB 0.162 38.630 38.460 0.013 0.000 0.987 115 Y HN -0.650 7.679 8.280 0.237 0.093 0.509 116 V N -1.939 118.107 119.914 0.219 0.000 2.324 116 V HA -0.525 nan 4.120 nan 0.000 0.250 116 V C 1.801 177.930 176.094 0.058 0.000 1.060 116 V CA 3.330 65.740 62.300 0.183 0.000 1.042 116 V CB -1.350 30.625 31.823 0.253 0.000 0.650 116 V HN -0.021 8.332 8.190 0.271 0.000 0.450 117 L N -1.101 120.146 121.223 0.040 0.000 1.943 117 L HA -0.387 nan 4.340 nan 0.000 0.215 117 L C 1.975 178.815 176.870 -0.051 0.000 1.074 117 L CA 2.923 57.762 54.840 -0.001 0.000 0.759 117 L CB -1.352 40.686 42.059 -0.034 0.000 0.888 117 L HN -0.048 8.221 8.230 0.076 0.006 0.433 118 T N -3.292 111.195 114.554 -0.112 0.000 2.544 118 T HA -0.453 nan 4.350 nan 0.000 0.264 118 T C 2.935 177.574 174.700 -0.102 0.000 1.096 118 T CA 3.729 65.763 62.100 -0.109 0.000 1.181 118 T CB -0.552 68.233 68.868 -0.139 0.000 0.864 118 T HN 0.105 8.280 8.240 -0.109 0.000 0.415 119 S N 3.644 119.155 115.700 -0.317 0.000 2.353 119 S HA -0.374 nan 4.470 nan 0.000 0.222 119 S C 2.169 176.834 174.600 0.108 0.000 1.035 119 S CA 3.235 61.354 58.200 -0.136 0.000 1.025 119 S CB -0.618 62.335 63.200 -0.412 0.000 0.902 119 S HN -0.322 7.605 8.310 -0.639 0.000 0.440 120 R N 1.925 122.453 120.500 0.046 0.000 2.165 120 R HA -0.344 nan 4.340 nan 0.000 0.254 120 R C 2.212 178.556 176.300 0.074 0.000 1.153 120 R CA 3.036 59.197 56.100 0.102 0.000 0.971 120 R CB -0.075 30.299 30.300 0.124 0.000 0.878 120 R HN -0.472 7.774 8.270 -0.040 0.000 0.449 121 S N -1.940 113.813 115.700 0.088 0.000 2.597 121 S HA 0.092 nan 4.470 nan 0.000 0.224 121 S C 0.776 175.416 174.600 0.068 0.000 0.955 121 S CA 0.656 58.908 58.200 0.087 0.000 0.933 121 S CB -0.225 63.061 63.200 0.143 0.000 0.788 121 S HN -0.566 7.775 8.310 0.090 0.022 0.488 122 Y N 0.678 121.015 120.300 0.062 0.000 2.403 122 Y HA -0.169 nan 4.550 nan 0.000 0.291 122 Y C -0.184 175.734 175.900 0.029 0.000 1.143 122 Y CA 1.580 59.703 58.100 0.038 0.000 1.257 122 Y CB -0.522 37.953 38.460 0.025 0.000 0.984 122 Y HN -0.143 8.096 8.280 0.189 0.155 0.550 123 L N -2.307 118.532 121.223 -0.639 0.000 2.622 123 L HA -0.075 nan 4.340 nan 0.000 0.233 123 L C -0.537 176.236 176.870 -0.162 0.000 1.156 123 L CA 0.430 54.932 54.840 -0.562 0.000 0.866 123 L CB -1.474 40.240 42.059 -0.575 0.000 0.980 123 L HN -0.372 7.442 8.230 -0.611 0.049 0.448 124 I N -0.868 119.685 120.570 -0.029 0.000 2.404 124 I HA 0.015 nan 4.170 nan 0.000 0.293 124 I C -0.753 175.353 176.117 -0.018 0.000 0.992 124 I CA -0.734 60.575 61.300 0.016 0.000 1.149 124 I CB 1.738 39.748 38.000 0.016 0.000 1.315 124 I HN -0.710 7.408 8.210 -0.026 0.076 0.446 125 D N 9.017 129.405 120.400 -0.020 0.000 2.517 125 D HA 0.095 nan 4.640 nan 0.000 0.220 125 D C -1.691 174.576 176.300 -0.055 0.000 1.158 125 D CA 0.042 54.030 54.000 -0.020 0.000 0.992 125 D CB -0.849 39.961 40.800 0.016 0.000 1.058 125 D HN 0.392 8.756 8.370 -0.010 0.000 0.516 126 S N 1.607 117.264 115.700 -0.071 0.000 2.659 126 S HA 0.243 nan 4.470 nan 0.000 0.312 126 S C -2.317 172.237 174.600 -0.077 0.000 1.114 126 S CA -3.427 54.716 58.200 -0.095 0.000 1.063 126 S CB 1.329 64.440 63.200 -0.149 0.000 0.996 126 S HN -0.721 7.526 8.310 -0.061 0.026 0.478 127 P HA 0.098 nan 4.420 nan 0.000 0.262 127 P C -2.262 175.044 177.300 0.010 0.000 1.182 127 P CA -0.676 62.445 63.100 0.035 0.000 0.761 127 P CB -0.065 31.696 31.700 0.101 0.000 0.795 128 P HA -0.047 nan 4.420 nan 0.000 0.264 128 P C -1.336 175.929 177.300 -0.059 0.000 1.183 128 P CA 0.417 63.473 63.100 -0.074 0.000 0.763 128 P CB 1.138 32.738 31.700 -0.168 0.000 0.807 129 T N -2.432 112.059 114.554 -0.106 0.000 2.863 129 T HA 0.434 nan 4.350 nan 0.000 0.285 129 T C -1.262 173.314 174.700 -0.208 0.000 1.009 129 T CA -1.477 60.435 62.100 -0.313 0.000 0.989 129 T CB 2.438 70.985 68.868 -0.536 0.000 1.004 129 T HN -0.057 8.153 8.240 -0.051 0.000 0.455 130 Y N 0.816 121.117 120.300 0.001 0.000 2.505 130 Y HA -0.543 nan 4.550 nan 0.000 0.021 130 Y C -1.512 174.339 175.900 -0.082 0.000 1.700 130 Y CA 1.070 59.161 58.100 -0.015 0.000 1.420 130 Y CB -0.440 38.004 38.460 -0.028 0.000 2.065 130 Y HN 0.305 8.331 8.280 -0.423 0.000 0.254 131 N N -5.231 113.499 118.700 0.051 0.000 3.413 131 N HA 0.210 nan 4.740 nan 0.000 0.273 131 N C 0.369 175.730 175.510 -0.247 0.000 1.458 131 N CA -0.539 52.411 53.050 -0.168 0.000 0.860 131 N CB 1.397 39.608 38.487 -0.459 0.000 1.556 131 N HN -0.391 8.068 8.380 0.133 0.000 0.475 132 V N -1.738 117.943 119.914 -0.387 0.000 2.317 132 V HA -0.368 nan 4.120 nan 0.000 0.251 132 V C 0.432 176.264 176.094 -0.437 0.000 1.065 132 V CA 3.798 65.857 62.300 -0.401 0.000 1.049 132 V CB -0.581 30.947 31.823 -0.492 0.000 0.651 132 V HN 0.655 8.601 8.190 -0.408 0.000 0.450 133 H N -5.386 113.478 119.070 -0.344 0.000 2.553 133 H HA 0.008 nan 4.556 nan 0.000 0.265 133 H C -0.055 174.780 175.328 -0.821 0.000 0.964 133 H CA 0.393 56.163 56.048 -0.463 0.000 1.156 133 H CB 1.033 30.558 29.762 -0.394 0.000 1.411 133 H HN -0.529 7.542 8.280 -0.653 -0.183 0.558 134 Y N -0.380 119.840 120.300 -0.134 0.000 2.388 134 Y HA 0.066 nan 4.550 nan 0.000 0.328 134 Y C -0.791 175.088 175.900 -0.035 0.000 0.963 134 Y CA -1.346 56.674 58.100 -0.133 0.000 1.240 134 Y CB 0.447 38.921 38.460 0.023 0.000 1.118 134 Y HN -0.360 7.856 8.280 -0.140 -0.019 0.484 135 G N 3.394 112.082 108.800 -0.187 0.000 2.777 135 G HA2 -0.160 nan 3.960 nan 0.000 0.211 135 G HA3 -0.160 nan 3.960 nan 0.000 0.211 135 G C -1.775 173.310 174.900 0.309 0.000 1.149 135 G CA -0.172 44.914 45.100 -0.022 0.000 0.785 135 G HN 0.468 8.409 8.290 -0.582 0.000 0.536 136 Y N -5.299 115.212 120.300 0.352 0.000 2.487 136 Y HA 0.215 nan 4.550 nan 0.000 0.337 136 Y C 0.057 176.027 175.900 0.116 0.000 1.076 136 Y CA -4.310 53.952 58.100 0.269 0.000 1.115 136 Y CB 0.644 39.212 38.460 0.179 0.000 1.235 136 Y HN -1.055 7.062 8.280 -0.183 0.053 0.468 137 K N 0.824 121.315 120.400 0.152 0.000 2.090 137 K HA -0.482 nan 4.320 nan 0.000 0.218 137 K C 0.652 177.235 176.600 -0.029 0.000 1.055 137 K CA 1.913 58.129 56.287 -0.118 0.000 0.941 137 K CB -0.790 31.639 32.500 -0.118 0.000 0.722 137 K HN 0.564 8.922 8.250 0.180 0.000 0.458 138 S N -3.108 112.617 115.700 0.041 0.000 3.533 138 S HA -0.266 nan 4.470 nan 0.000 0.857 138 S C 0.519 175.084 174.600 -0.059 0.000 1.229 138 S CA 0.005 58.189 58.200 -0.025 0.000 0.814 138 S CB 0.584 63.768 63.200 -0.027 0.000 0.573 138 S HN -0.254 8.066 8.310 0.018 0.000 0.283 139 W N 6.487 127.711 121.300 -0.127 0.000 2.584 139 W HA -0.106 nan 4.660 nan 0.000 0.264 139 W C 0.436 176.931 176.519 -0.039 0.000 1.264 139 W CA 2.073 59.392 57.345 -0.043 0.000 1.306 139 W CB 0.113 29.549 29.460 -0.040 0.000 1.110 139 W HN 0.573 8.836 8.180 0.139 0.000 0.606 140 E N 1.315 121.443 120.200 -0.119 0.000 2.150 140 E HA -0.338 nan 4.350 nan 0.000 0.193 140 E C 1.972 178.411 176.600 -0.268 0.000 0.985 140 E CA 2.717 59.011 56.400 -0.176 0.000 0.814 140 E CB -0.795 28.768 29.700 -0.229 0.000 0.752 140 E HN -0.326 7.923 8.360 -0.141 0.026 0.466 141 A N -1.742 120.780 122.820 -0.496 0.000 2.015 141 A HA -0.158 nan 4.320 nan 0.000 0.219 141 A C 1.750 179.202 177.584 -0.220 0.000 1.163 141 A CA 2.648 54.502 52.037 -0.304 0.000 0.646 141 A CB -0.672 18.183 19.000 -0.242 0.000 0.806 141 A HN 0.109 7.867 8.150 -0.625 0.017 0.448 142 F N -1.413 118.268 119.950 -0.447 0.000 2.374 142 F HA -0.085 nan 4.527 nan 0.000 0.291 142 F C 0.748 176.207 175.800 -0.568 0.000 1.084 142 F CA 2.018 59.681 58.000 -0.562 0.000 1.413 142 F CB 1.350 39.844 39.000 -0.843 0.000 1.099 142 F HN -0.725 7.269 8.300 -0.256 0.152 0.534 143 S N 0.166 115.491 115.700 -0.625 0.000 2.336 143 S HA -0.322 nan 4.470 nan 0.000 0.216 143 S C 1.099 175.541 174.600 -0.264 0.000 1.032 143 S CA 2.544 60.487 58.200 -0.429 0.000 0.973 143 S CB -0.274 62.867 63.200 -0.098 0.000 0.888 143 S HN 0.301 8.196 8.310 -0.513 0.108 0.455 144 N N 3.791 122.427 118.700 -0.106 0.000 2.381 144 N HA -0.161 nan 4.740 nan 0.000 0.288 144 N C 1.024 176.494 175.510 -0.066 0.000 1.346 144 N CA 0.580 53.607 53.050 -0.039 0.000 0.970 144 N CB -0.581 37.939 38.487 0.056 0.000 1.351 144 N HN -0.556 7.783 8.380 -0.069 0.000 0.488 145 L N 4.530 125.680 121.223 -0.122 0.000 2.610 145 L HA -0.135 nan 4.340 nan 0.000 0.232 145 L C 0.917 177.809 176.870 0.037 0.000 1.149 145 L CA 1.339 56.107 54.840 -0.121 0.000 0.872 145 L CB -0.528 41.437 42.059 -0.157 0.000 0.992 145 L HN 0.088 8.245 8.230 -0.122 0.000 0.447 146 S N -0.006 115.678 115.700 -0.026 0.000 2.522 146 S HA -0.121 nan 4.470 nan 0.000 0.227 146 S C -0.054 174.565 174.600 0.032 0.000 0.986 146 S CA 2.677 60.869 58.200 -0.013 0.000 0.929 146 S CB 0.068 63.246 63.200 -0.037 0.000 0.769 146 S HN 0.008 8.505 8.310 -0.078 -0.234 0.529 147 Y N 0.663 120.983 120.300 0.032 0.000 2.418 147 Y HA 0.191 nan 4.550 nan 0.000 0.327 147 Y C -1.079 174.783 175.900 -0.062 0.000 1.309 147 Y CA 0.818 58.858 58.100 -0.101 0.000 1.423 147 Y CB 1.288 39.700 38.460 -0.080 0.000 1.423 147 Y HN -0.948 7.345 8.280 0.123 0.061 0.532 148 Y N -4.490 115.918 120.300 0.181 0.000 2.393 148 Y HA 0.179 nan 4.550 nan 0.000 0.341 148 Y C 0.161 176.102 175.900 0.069 0.000 0.988 148 Y CA -0.516 57.662 58.100 0.130 0.000 1.078 148 Y CB 2.523 41.031 38.460 0.081 0.000 1.203 148 Y HN -0.241 8.208 8.280 0.281 0.000 0.453 149 T N 4.529 119.221 114.554 0.230 0.000 2.667 149 T HA 0.093 nan 4.350 nan 0.000 0.305 149 T C -1.687 173.056 174.700 0.073 0.000 1.022 149 T CA 0.531 62.677 62.100 0.077 0.000 0.995 149 T CB 1.095 69.956 68.868 -0.011 0.000 1.026 149 T HN 0.135 8.460 8.240 0.293 0.091 0.527 150 R N 2.128 122.665 120.500 0.062 0.000 2.512 150 R HA 0.236 nan 4.340 nan 0.000 0.291 150 R C -0.477 175.885 176.300 0.102 0.000 1.097 150 R CA -0.587 55.544 56.100 0.052 0.000 0.940 150 R CB 2.073 32.362 30.300 -0.019 0.000 1.198 150 R HN -0.129 8.192 8.270 0.085 0.000 0.429 151 A N 6.342 129.282 122.820 0.199 0.000 1.948 151 A HA -0.127 nan 4.320 nan 0.000 0.220 151 A C -0.490 177.131 177.584 0.061 0.000 1.177 151 A CA 2.323 54.532 52.037 0.287 0.000 0.636 151 A CB 0.141 19.599 19.000 0.763 0.000 0.815 151 A HN 0.547 8.895 8.150 0.253 -0.046 0.449 152 L N -3.474 117.714 121.223 -0.059 0.000 2.385 152 L HA 0.412 nan 4.340 nan 0.000 0.273 152 L C -2.290 174.369 176.870 -0.351 0.000 0.990 152 L CA -3.675 50.972 54.840 -0.322 0.000 0.821 152 L CB 2.512 44.208 42.059 -0.604 0.000 1.279 152 L HN -0.775 7.681 8.230 0.051 -0.196 0.412 153 P HA 0.096 nan 4.420 nan 0.000 0.269 153 P C -1.760 175.372 177.300 -0.281 0.000 1.209 153 P CA -1.450 61.328 63.100 -0.537 0.000 0.776 153 P CB -0.840 30.416 31.700 -0.740 0.000 0.876 154 P HA -0.016 nan 4.420 nan 0.000 0.272 154 P C -1.018 176.222 177.300 -0.099 0.000 1.254 154 P CA -0.508 62.522 63.100 -0.116 0.000 0.795 154 P CB 0.726 32.362 31.700 -0.106 0.000 1.022 155 V N -0.428 119.459 119.914 -0.044 0.000 2.461 155 V HA -0.019 nan 4.120 nan 0.000 0.275 155 V C 0.141 176.212 176.094 -0.039 0.000 1.047 155 V CA -0.566 61.712 62.300 -0.036 0.000 0.955 155 V CB -0.253 31.573 31.823 0.004 0.000 0.988 155 V HN -0.252 7.932 8.190 -0.009 0.000 0.471 156 A N 7.378 130.169 122.820 -0.049 0.000 2.566 156 A HA -0.033 nan 4.320 nan 0.000 0.245 156 A C 0.334 177.907 177.584 -0.018 0.000 1.056 156 A CA -0.143 51.868 52.037 -0.043 0.000 0.757 156 A CB 0.466 19.445 19.000 -0.035 0.000 0.979 156 A HN 0.345 8.462 8.150 -0.054 0.000 0.508 157 D N 2.720 123.110 120.400 -0.017 0.000 2.389 157 D HA -0.261 nan 4.640 nan 0.000 0.221 157 D C -0.100 176.207 176.300 0.011 0.000 0.974 157 D CA 2.807 56.808 54.000 0.002 0.000 0.923 157 D CB -0.386 40.417 40.800 0.004 0.000 0.892 157 D HN 0.599 8.949 8.370 -0.033 0.000 0.518 158 D N -5.866 114.540 120.400 0.011 0.000 2.402 158 D HA 0.018 nan 4.640 nan 0.000 0.216 158 D C -0.114 176.199 176.300 0.022 0.000 1.128 158 D CA -0.883 53.130 54.000 0.022 0.000 0.833 158 D CB -0.434 40.386 40.800 0.033 0.000 0.971 158 D HN -0.343 7.942 8.370 0.003 0.086 0.503 159 c N 2.201 120.809 118.600 0.013 0.000 2.639 159 c HA 0.155 nan 4.570 nan 0.000 0.360 159 c C 0.279 174.379 174.090 0.016 0.000 1.351 159 c CA -0.845 55.491 56.329 0.012 0.000 2.408 159 c CB 0.588 43.099 42.510 0.003 0.000 2.517 159 c HN -0.018 8.151 8.230 0.010 0.066 0.696 160 P HA -0.010 nan 4.420 nan 0.000 0.219 160 P C -0.905 176.406 177.300 0.017 0.000 1.154 160 P CA 1.126 64.236 63.100 0.017 0.000 0.826 160 P CB 0.844 32.553 31.700 0.016 0.000 0.795 161 T N -4.314 110.251 114.554 0.019 0.000 2.907 161 T HA 0.592 nan 4.350 nan 0.000 0.292 161 T C -1.189 173.527 174.700 0.028 0.000 1.043 161 T CA -2.614 59.500 62.100 0.023 0.000 1.003 161 T CB 2.092 70.976 68.868 0.027 0.000 1.084 161 T HN -0.252 7.902 8.240 0.016 0.096 0.483 162 P HA -0.116 nan 4.420 nan 0.000 0.223 162 P C 0.110 177.444 177.300 0.056 0.000 1.144 162 P CA 2.472 65.597 63.100 0.043 0.000 0.783 162 P CB 0.239 31.965 31.700 0.043 0.000 0.771 163 M N -4.084 115.550 119.600 0.057 0.000 2.475 163 M HA 0.090 nan 4.480 nan 0.000 0.261 163 M C 0.393 176.715 176.300 0.037 0.000 1.177 163 M CA -1.889 53.450 55.300 0.066 0.000 0.979 163 M CB -0.924 31.727 32.600 0.085 0.000 1.482 163 M HN -0.326 7.945 8.290 0.052 0.050 0.484 164 G N -1.123 107.690 108.800 0.022 0.000 3.355 164 G HA2 -0.296 nan 3.960 nan 0.000 0.247 164 G HA3 -0.296 nan 3.960 nan 0.000 0.247 164 G C -0.584 174.318 174.900 0.003 0.000 1.818 164 G CA 1.010 46.111 45.100 0.000 0.000 1.309 164 G HN 0.329 8.452 8.290 0.027 0.184 0.546 165 V N -2.581 117.334 119.914 0.002 0.000 3.484 165 V HA 0.385 nan 4.120 nan 0.000 0.252 165 V C -0.021 176.084 176.094 0.017 0.000 1.282 165 V CA -0.468 61.835 62.300 0.006 0.000 1.104 165 V CB 1.035 32.856 31.823 -0.004 0.000 0.868 165 V HN -0.083 8.106 8.190 -0.001 0.000 0.457 166 K N 1.771 122.185 120.400 0.023 0.000 2.144 166 K HA 0.111 nan 4.320 nan 0.000 0.270 166 K C 0.145 176.776 176.600 0.050 0.000 1.005 166 K CA 0.059 56.368 56.287 0.037 0.000 0.932 166 K CB 0.730 33.255 32.500 0.041 0.000 1.021 166 K HN -0.273 7.989 8.250 0.020 0.000 0.462 167 G N 2.345 111.178 108.800 0.054 0.000 2.483 167 G HA2 -0.329 nan 3.960 nan 0.000 0.521 167 G HA3 -0.329 nan 3.960 nan 0.000 0.521 167 G C -1.361 173.561 174.900 0.036 0.000 1.278 167 G CA -0.565 44.570 45.100 0.058 0.000 0.965 167 G HN 0.033 8.353 8.290 0.050 0.000 0.504 168 N N -0.095 118.620 118.700 0.024 0.000 2.502 168 N HA 0.252 nan 4.740 nan 0.000 0.280 168 N C -0.473 175.042 175.510 0.008 0.000 1.223 168 N CA -1.333 51.723 53.050 0.011 0.000 0.966 168 N CB 1.899 40.384 38.487 -0.002 0.000 1.203 168 N HN 0.241 8.635 8.380 0.024 0.000 0.565 169 K N -0.638 119.765 120.400 0.005 0.000 2.228 169 K HA -0.266 nan 4.320 nan 0.000 0.205 169 K C -0.255 176.346 176.600 0.002 0.000 1.045 169 K CA 2.270 58.560 56.287 0.005 0.000 0.931 169 K CB 0.361 32.863 32.500 0.003 0.000 0.727 169 K HN 0.298 8.550 8.250 0.004 0.000 0.458 170 E N -4.737 115.459 120.200 -0.007 0.000 2.428 170 E HA 0.186 nan 4.350 nan 0.000 0.259 170 E C -2.220 174.362 176.600 -0.029 0.000 0.930 170 E CA -1.413 54.978 56.400 -0.015 0.000 0.823 170 E CB 2.221 31.907 29.700 -0.022 0.000 1.403 170 E HN -0.566 7.757 8.360 -0.011 0.030 0.415 171 L N -1.647 119.547 121.223 -0.048 0.000 2.299 171 L HA 0.364 nan 4.340 nan 0.000 0.268 171 L C -1.485 175.277 176.870 -0.180 0.000 1.012 171 L CA -3.118 51.661 54.840 -0.101 0.000 0.816 171 L CB 0.411 42.439 42.059 -0.052 0.000 1.355 171 L HN -0.075 8.131 8.230 -0.040 0.000 0.457 172 P HA 0.022 nan 4.420 nan 0.000 0.271 172 P C -1.617 175.575 177.300 -0.180 0.000 1.238 172 P CA -0.470 62.423 63.100 -0.345 0.000 0.794 172 P CB 0.709 32.003 31.700 -0.677 0.000 0.959 173 D N -1.094 119.237 120.400 -0.116 0.000 2.344 173 D HA -0.024 nan 4.640 nan 0.000 0.244 173 D C 0.352 176.633 176.300 -0.030 0.000 1.134 173 D CA -0.059 53.906 54.000 -0.059 0.000 0.930 173 D CB 1.227 42.002 40.800 -0.041 0.000 1.175 173 D HN 0.092 8.390 8.370 -0.120 0.000 0.437 174 S N 1.141 116.837 115.700 -0.006 0.000 2.345 174 S HA -0.203 nan 4.470 nan 0.000 0.220 174 S C 1.722 176.340 174.600 0.031 0.000 1.031 174 S CA 3.552 61.766 58.200 0.023 0.000 0.996 174 S CB 0.201 63.408 63.200 0.013 0.000 0.882 174 S HN 0.276 8.579 8.310 -0.012 0.000 0.445 175 K N 0.621 121.028 120.400 0.012 0.000 2.283 175 K HA -0.215 nan 4.320 nan 0.000 0.202 175 K C 2.343 178.950 176.600 0.011 0.000 1.048 175 K CA 3.028 59.322 56.287 0.012 0.000 0.948 175 K CB -0.121 32.379 32.500 0.001 0.000 0.742 175 K HN -0.402 8.020 8.250 0.003 -0.171 0.458 176 E N -3.395 116.806 120.200 0.003 0.000 2.516 176 E HA -0.143 nan 4.350 nan 0.000 0.199 176 E C 0.665 177.281 176.600 0.026 0.000 1.069 176 E CA 1.700 58.098 56.400 -0.002 0.000 0.876 176 E CB -0.144 29.539 29.700 -0.028 0.000 0.843 176 E HN -0.305 8.046 8.360 -0.005 0.007 0.530 177 V N -3.299 116.648 119.914 0.055 0.000 3.058 177 V HA 0.134 nan 4.120 nan 0.000 0.233 177 V C 1.764 177.905 176.094 0.079 0.000 1.255 177 V CA 1.381 63.745 62.300 0.106 0.000 1.267 177 V CB 1.167 33.108 31.823 0.197 0.000 1.049 177 V HN -0.263 7.748 8.190 0.047 0.207 0.486 178 L N 0.580 121.846 121.223 0.071 0.000 1.970 178 L HA -0.501 nan 4.340 nan 0.000 0.212 178 L C 1.169 178.059 176.870 0.033 0.000 1.071 178 L CA 4.442 59.319 54.840 0.062 0.000 0.751 178 L CB 0.047 42.136 42.059 0.050 0.000 0.889 178 L HN 0.714 8.864 8.230 0.067 0.120 0.432 179 E N -2.171 118.041 120.200 0.020 0.000 2.008 179 E HA -0.355 nan 4.350 nan 0.000 0.191 179 E C 2.666 179.267 176.600 0.002 0.000 0.986 179 E CA 3.059 59.462 56.400 0.005 0.000 0.807 179 E CB -0.163 29.536 29.700 -0.001 0.000 0.766 179 E HN -0.244 8.011 8.360 0.021 0.118 0.450 180 K N -1.385 119.018 120.400 0.005 0.000 2.015 180 K HA -0.338 nan 4.320 nan 0.000 0.216 180 K C 2.514 179.114 176.600 0.000 0.000 1.052 180 K CA 3.230 59.517 56.287 0.000 0.000 0.937 180 K CB -0.105 32.396 32.500 0.001 0.000 0.719 180 K HN -0.632 7.623 8.250 0.008 0.000 0.446 181 V N -2.898 117.024 119.914 0.014 0.000 3.644 181 V HA -0.010 nan 4.120 nan 0.000 0.267 181 V C 0.909 176.999 176.094 -0.006 0.000 1.277 181 V CA 2.152 64.456 62.300 0.005 0.000 1.096 181 V CB 0.105 31.941 31.823 0.022 0.000 0.828 181 V HN -0.285 7.814 8.190 0.030 0.109 0.446 182 L N -2.145 119.081 121.223 0.005 0.000 2.577 182 L HA 0.256 nan 4.340 nan 0.000 0.225 182 L C -0.188 176.678 176.870 -0.007 0.000 1.053 182 L CA 1.107 55.946 54.840 -0.001 0.000 0.866 182 L CB 1.376 43.453 42.059 0.029 0.000 1.132 182 L HN -0.509 7.641 8.230 0.016 0.090 0.486 183 L N -1.392 119.828 121.223 -0.005 0.000 2.453 183 L HA -0.163 nan 4.340 nan 0.000 0.272 183 L C -1.157 175.696 176.870 -0.028 0.000 1.182 183 L CA -0.022 54.809 54.840 -0.015 0.000 0.858 183 L CB 0.252 42.302 42.059 -0.015 0.000 1.120 183 L HN -0.227 8.004 8.230 0.001 0.000 0.474 184 R N 2.539 123.017 120.500 -0.036 0.000 2.641 184 R HA 0.121 nan 4.340 nan 0.000 0.269 184 R C -0.738 175.544 176.300 -0.030 0.000 1.074 184 R CA 0.249 56.322 56.100 -0.044 0.000 1.133 184 R CB 0.784 31.049 30.300 -0.058 0.000 1.029 184 R HN -0.205 8.045 8.270 -0.034 0.000 0.488 185 R N 1.490 121.975 120.500 -0.026 0.000 2.006 185 R HA 0.098 nan 4.340 nan 0.000 0.181 185 R C -0.424 175.876 176.300 0.001 0.000 1.617 185 R CA -0.295 55.796 56.100 -0.014 0.000 1.276 185 R CB -0.053 30.236 30.300 -0.018 0.000 1.107 185 R HN 0.451 8.700 8.270 -0.035 0.000 0.474 186 E N -0.011 120.192 120.200 0.005 0.000 2.242 186 E HA 0.031 nan 4.350 nan 0.000 0.275 186 E C -1.157 175.482 176.600 0.066 0.000 1.002 186 E CA -1.383 55.040 56.400 0.038 0.000 0.841 186 E CB 1.256 30.973 29.700 0.028 0.000 1.109 186 E HN -0.259 8.095 8.360 -0.009 0.000 0.394 187 F N 2.447 122.368 119.950 -0.049 0.000 2.571 187 F HA -0.109 nan 4.527 nan 0.000 0.384 187 F C -0.684 175.080 175.800 -0.060 0.000 1.058 187 F CA 0.395 58.362 58.000 -0.055 0.000 1.200 187 F CB 0.564 39.526 39.000 -0.064 0.000 1.077 187 F HN 0.076 8.509 8.300 0.221 0.000 0.558 188 I N 9.353 129.690 120.570 -0.388 0.000 2.321 188 I HA 0.298 nan 4.170 nan 0.000 0.291 188 I C -1.658 174.178 176.117 -0.468 0.000 0.998 188 I CA -3.392 57.752 61.300 -0.260 0.000 1.227 188 I CB 1.695 39.562 38.000 -0.221 0.000 1.368 188 I HN 0.119 8.311 8.210 -0.554 -0.314 0.466 189 P HA 0.193 nan 4.420 nan 0.000 0.284 189 P C -1.385 175.858 177.300 -0.095 0.000 1.253 189 P CA -1.268 61.884 63.100 0.086 0.000 0.800 189 P CB 0.447 32.293 31.700 0.244 0.000 0.961 190 D N 2.352 122.672 120.400 -0.133 0.000 2.455 190 D HA -0.061 nan 4.640 nan 0.000 0.241 190 D C 1.045 177.246 176.300 -0.166 0.000 1.138 190 D CA -1.976 51.901 54.000 -0.204 0.000 0.877 190 D CB 1.574 42.225 40.800 -0.248 0.000 1.187 190 D HN 0.249 8.470 8.370 -0.085 0.098 0.451 191 P HA 0.048 nan 4.420 nan 0.000 0.245 191 P C -0.822 176.368 177.300 -0.183 0.000 1.212 191 P CA 1.140 64.142 63.100 -0.164 0.000 0.774 191 P CB -0.041 31.558 31.700 -0.167 0.000 0.999 192 Q N -3.308 116.352 119.800 -0.232 0.000 2.282 192 Q HA 0.132 nan 4.340 nan 0.000 0.206 192 Q C 0.273 176.185 176.000 -0.147 0.000 0.878 192 Q CA -0.442 55.206 55.803 -0.259 0.000 0.944 192 Q CB 0.547 29.028 28.738 -0.428 0.000 1.100 192 Q HN -0.407 8.066 8.270 -0.256 -0.357 0.509 193 G N -0.252 108.487 108.800 -0.102 0.000 2.198 193 G HA2 -0.469 nan 3.960 nan 0.000 0.257 193 G HA3 -0.469 nan 3.960 nan 0.000 0.257 193 G C -0.696 174.199 174.900 -0.009 0.000 1.042 193 G CA 0.222 45.303 45.100 -0.032 0.000 0.791 193 G HN -0.533 7.627 8.290 -0.126 0.054 0.502 194 S N 1.689 117.319 115.700 -0.115 0.000 2.488 194 S HA -0.095 nan 4.470 nan 0.000 0.278 194 S C -0.773 173.731 174.600 -0.161 0.000 1.259 194 S CA 0.621 58.633 58.200 -0.315 0.000 1.061 194 S CB 0.424 63.237 63.200 -0.644 0.000 0.910 194 S HN 0.111 8.643 8.310 -0.159 -0.317 0.491 195 N N 6.311 124.970 118.700 -0.069 0.000 2.431 195 N HA 0.407 nan 4.740 nan 0.000 0.289 195 N C 0.867 176.414 175.510 0.062 0.000 1.277 195 N CA -0.838 52.235 53.050 0.038 0.000 0.972 195 N CB 0.215 38.769 38.487 0.111 0.000 1.143 195 N HN -0.197 8.125 8.380 -0.098 0.000 0.578 196 M N -1.889 117.737 119.600 0.044 0.000 2.506 196 M HA 0.090 nan 4.480 nan 0.000 0.260 196 M C 1.729 178.091 176.300 0.104 0.000 1.104 196 M CA 0.966 56.177 55.300 -0.149 0.000 1.112 196 M CB -0.939 31.314 32.600 -0.579 0.000 1.401 196 M HN -0.049 8.295 8.290 0.089 0.000 0.473 197 M N 1.581 121.409 119.600 0.380 0.000 2.077 197 M HA -0.269 nan 4.480 nan 0.000 0.261 197 M C 2.166 178.923 176.300 0.761 0.000 1.070 197 M CA 2.598 58.258 55.300 0.601 0.000 1.125 197 M CB -0.773 32.133 32.600 0.511 0.000 1.339 197 M HN -0.619 7.911 8.290 0.331 -0.041 0.409 198 F N 0.675 120.895 119.950 0.450 0.000 2.051 198 F HA -0.448 nan 4.527 nan 0.000 0.296 198 F C 0.723 176.586 175.800 0.106 0.000 1.122 198 F CA 3.584 61.600 58.000 0.027 0.000 1.201 198 F CB -0.328 38.530 39.000 -0.237 0.000 0.978 198 F HN 0.278 9.355 8.300 0.665 -0.379 0.472 199 A N -0.501 122.632 122.820 0.522 0.000 1.896 199 A HA -0.433 nan 4.320 nan 0.000 0.220 199 A C 2.354 180.050 177.584 0.186 0.000 1.206 199 A CA 3.048 55.251 52.037 0.278 0.000 0.647 199 A CB -0.926 18.026 19.000 -0.079 0.000 0.828 199 A HN -0.268 8.140 8.150 0.430 0.000 0.455 200 F N -4.569 115.547 119.950 0.276 0.000 2.407 200 F HA -0.194 nan 4.527 nan 0.000 0.299 200 F C 1.601 177.643 175.800 0.403 0.000 1.097 200 F CA 1.782 59.950 58.000 0.279 0.000 1.422 200 F CB -0.420 38.719 39.000 0.230 0.000 1.067 200 F HN -0.105 8.249 8.300 0.270 0.107 0.539 201 F N 2.169 122.431 119.950 0.520 0.000 2.098 201 F HA -0.414 nan 4.527 nan 0.000 0.294 201 F C 0.899 176.767 175.800 0.112 0.000 1.107 201 F CA 3.460 61.538 58.000 0.129 0.000 1.234 201 F CB 0.078 39.051 39.000 -0.046 0.000 1.002 201 F HN -0.433 8.195 8.300 0.776 0.137 0.472 202 A N -2.172 120.920 122.820 0.454 0.000 2.076 202 A HA -0.405 nan 4.320 nan 0.000 0.220 202 A C 1.232 179.029 177.584 0.356 0.000 1.160 202 A CA 3.092 55.458 52.037 0.548 0.000 0.653 202 A CB -1.006 18.275 19.000 0.468 0.000 0.801 202 A HN 0.404 8.714 8.150 0.266 0.000 0.455 203 Q N -2.181 117.750 119.800 0.219 0.000 2.134 203 Q HA -0.301 nan 4.340 nan 0.000 0.195 203 Q C 2.045 177.921 176.000 -0.207 0.000 0.958 203 Q CA 2.620 58.406 55.803 -0.029 0.000 0.840 203 Q CB 0.288 29.009 28.738 -0.028 0.000 0.918 203 Q HN -0.417 7.859 8.270 0.280 0.162 0.467 204 H N 0.330 119.236 119.070 -0.275 0.000 2.321 204 H HA -0.271 nan 4.556 nan 0.000 0.300 204 H C 1.552 176.733 175.328 -0.246 0.000 1.087 204 H CA 3.485 59.243 56.048 -0.484 0.000 1.319 204 H CB 0.108 29.560 29.762 -0.518 0.000 1.379 204 H HN -0.452 7.876 8.280 0.080 0.000 0.501 205 F N -1.468 118.253 119.950 -0.381 0.000 2.031 205 F HA -0.253 nan 4.527 nan 0.000 0.295 205 F C 1.479 176.965 175.800 -0.524 0.000 1.133 205 F CA 3.795 61.563 58.000 -0.387 0.000 1.188 205 F CB 0.292 39.156 39.000 -0.227 0.000 0.974 205 F HN 0.226 8.544 8.300 0.029 0.000 0.473 206 T N -2.833 111.320 114.554 -0.668 0.000 3.051 206 T HA -0.283 nan 4.350 nan 0.000 0.269 206 T C 1.717 175.894 174.700 -0.870 0.000 1.127 206 T CA 3.272 64.593 62.100 -1.299 0.000 1.107 206 T CB -0.816 67.799 68.868 -0.421 0.000 0.898 206 T HN -0.371 7.819 8.240 -0.084 0.000 0.517 207 H N 2.133 120.920 119.070 -0.471 0.000 2.543 207 H HA 0.086 nan 4.556 nan 0.000 0.269 207 H C -0.050 175.174 175.328 -0.175 0.000 1.005 207 H CA 0.715 56.685 56.048 -0.130 0.000 1.146 207 H CB -1.026 28.873 29.762 0.227 0.000 1.353 207 H HN -0.420 7.629 8.280 -0.085 0.180 0.595 208 Q N -2.308 117.279 119.800 -0.354 0.000 2.200 208 Q HA -0.095 nan 4.340 nan 0.000 0.197 208 Q C 0.794 176.630 176.000 -0.273 0.000 0.953 208 Q CA 1.621 57.279 55.803 -0.242 0.000 0.851 208 Q CB 0.848 29.448 28.738 -0.230 0.000 0.938 208 Q HN -0.719 7.053 8.270 -0.704 0.076 0.488 209 F N -3.901 115.783 119.950 -0.443 0.000 2.187 209 F HA -0.024 nan 4.527 nan 0.000 0.295 209 F C -0.021 175.531 175.800 -0.414 0.000 1.091 209 F CA 0.245 57.937 58.000 -0.513 0.000 1.308 209 F CB 0.022 38.616 39.000 -0.676 0.000 1.030 209 F HN -0.813 6.705 8.300 -1.303 0.000 0.487 210 F N -0.390 119.452 119.950 -0.180 0.000 2.445 210 F HA -0.090 nan 4.527 nan 0.000 0.359 210 F C 0.376 176.052 175.800 -0.207 0.000 1.101 210 F CA -0.139 57.778 58.000 -0.139 0.000 1.177 210 F CB -0.124 38.679 39.000 -0.328 0.000 1.110 210 F HN -0.164 7.607 8.300 -0.881 0.000 0.522 211 K N 2.642 123.107 120.400 0.109 0.000 2.887 211 K HA 0.114 nan 4.320 nan 0.000 0.165 211 K C -0.664 175.901 176.600 -0.059 0.000 1.121 211 K CA -0.389 55.877 56.287 -0.034 0.000 1.128 211 K CB 1.336 33.775 32.500 -0.102 0.000 0.763 211 K HN 0.044 8.480 8.250 0.310 0.000 0.422 212 T N 2.156 116.740 114.554 0.050 0.000 2.510 212 T HA -0.306 nan 4.350 nan 0.000 0.218 212 T C 0.206 174.648 174.700 -0.431 0.000 1.031 212 T CA 1.629 63.690 62.100 -0.067 0.000 1.169 212 T CB -0.152 68.723 68.868 0.011 0.000 1.007 212 T HN -0.471 7.892 8.240 0.205 0.000 0.462 213 D N 6.422 126.701 120.400 -0.201 0.000 2.483 213 D HA 0.136 nan 4.640 nan 0.000 0.220 213 D C 0.482 176.735 176.300 -0.079 0.000 1.173 213 D CA -1.825 52.079 54.000 -0.159 0.000 0.964 213 D CB -0.090 40.662 40.800 -0.081 0.000 1.046 213 D HN 0.302 8.501 8.370 -0.072 0.128 0.517 214 H N 5.136 124.256 119.070 0.083 0.000 2.423 214 H HA -0.290 nan 4.556 nan 0.000 0.297 214 H C 1.160 176.516 175.328 0.047 0.000 1.075 214 H CA 2.653 58.753 56.048 0.087 0.000 1.342 214 H CB 0.010 29.811 29.762 0.065 0.000 1.395 214 H HN -0.273 7.683 8.280 -0.497 0.026 0.530 215 K N -0.645 119.819 120.400 0.107 0.000 2.113 215 K HA -0.271 nan 4.320 nan 0.000 0.208 215 K C 1.250 177.828 176.600 -0.037 0.000 1.047 215 K CA 2.444 58.747 56.287 0.027 0.000 0.928 215 K CB -0.045 32.444 32.500 -0.017 0.000 0.716 215 K HN 0.076 8.402 8.250 0.089 -0.023 0.446 216 R N -1.744 118.683 120.500 -0.122 0.000 2.112 216 R HA -0.047 nan 4.340 nan 0.000 0.216 216 R C -0.351 175.945 176.300 -0.007 0.000 1.080 216 R CA -0.325 55.557 56.100 -0.364 0.000 0.996 216 R CB 1.362 31.059 30.300 -1.006 0.000 0.902 216 R HN -0.506 7.913 8.270 -0.094 -0.206 0.449 217 G N -4.005 104.936 108.800 0.234 0.000 2.353 217 G HA2 -0.035 nan 3.960 nan 0.000 0.424 217 G HA3 -0.035 nan 3.960 nan 0.000 0.424 217 G C -3.500 171.662 174.900 0.436 0.000 1.320 217 G CA -0.888 44.437 45.100 0.376 0.000 0.995 217 G HN -0.326 7.886 8.290 0.166 0.178 0.580 218 P HA 0.158 nan 4.420 nan 0.000 0.276 218 P C -0.325 177.132 177.300 0.261 0.000 1.230 218 P CA 0.032 63.306 63.100 0.291 0.000 0.776 218 P CB -0.004 31.816 31.700 0.200 0.000 0.888 219 G N 0.289 109.303 108.800 0.357 0.000 2.218 219 G HA2 -0.285 nan 3.960 nan 0.000 0.216 219 G HA3 -0.285 nan 3.960 nan 0.000 0.216 219 G C -1.712 173.294 174.900 0.177 0.000 0.994 219 G CA -0.120 45.152 45.100 0.288 0.000 0.637 219 G HN 0.322 8.917 8.290 0.508 0.000 0.505 220 F N 0.305 120.405 119.950 0.249 0.000 2.436 220 F HA 0.563 nan 4.527 nan 0.000 0.340 220 F C -1.085 174.542 175.800 -0.289 0.000 1.113 220 F CA -1.122 56.864 58.000 -0.024 0.000 1.022 220 F CB 1.728 40.727 39.000 -0.002 0.000 1.128 220 F HN -0.783 7.696 8.300 0.430 0.080 0.466 221 T N 3.710 118.036 114.554 -0.380 0.000 2.919 221 T HA 0.529 nan 4.350 nan 0.000 0.282 221 T C -1.857 172.684 174.700 -0.264 0.000 1.020 221 T CA -2.525 59.242 62.100 -0.555 0.000 0.994 221 T CB 2.105 70.343 68.868 -1.051 0.000 1.180 221 T HN 0.702 8.684 8.240 -0.249 0.109 0.566 222 R N -2.354 118.003 120.500 -0.239 0.000 2.541 222 R HA 0.262 nan 4.340 nan 0.000 0.332 222 R C 1.117 177.314 176.300 -0.173 0.000 0.951 222 R CA -0.227 55.771 56.100 -0.169 0.000 1.136 222 R CB 2.070 32.286 30.300 -0.139 0.000 1.449 222 R HN 0.394 8.507 8.270 -0.262 0.000 0.531 223 G N 1.358 110.023 108.800 -0.225 0.000 3.636 223 G HA2 0.244 nan 3.960 nan 0.000 0.260 223 G HA3 0.244 nan 3.960 nan 0.000 0.260 223 G C -0.938 173.825 174.900 -0.228 0.000 1.014 223 G CA -0.431 44.545 45.100 -0.208 0.000 1.797 223 G HN 0.209 8.331 8.290 -0.280 0.000 0.637 224 L N -0.610 120.533 121.223 -0.134 0.000 2.197 224 L HA -0.278 nan 4.340 nan 0.000 0.215 224 L C 1.816 178.735 176.870 0.080 0.000 1.095 224 L CA 1.677 56.511 54.840 -0.009 0.000 0.764 224 L CB -0.028 42.011 42.059 -0.033 0.000 0.897 224 L HN -0.682 7.393 8.230 -0.129 0.078 0.436 225 G N -4.190 104.600 108.800 -0.017 0.000 3.452 225 G HA2 -0.073 nan 3.960 nan 0.000 0.258 225 G HA3 -0.073 nan 3.960 nan 0.000 0.258 225 G C -1.016 173.880 174.900 -0.006 0.000 1.305 225 G CA -1.072 44.017 45.100 -0.018 0.000 1.514 225 G HN -0.082 8.136 8.290 -0.067 0.032 0.593 226 H N 0.910 119.890 119.070 -0.149 0.000 2.384 226 H HA -0.447 nan 4.556 nan 0.000 0.305 226 H C -0.758 174.435 175.328 -0.226 0.000 0.672 226 H CA 1.215 57.160 56.048 -0.171 0.000 1.187 226 H CB -0.951 28.706 29.762 -0.174 0.000 1.393 226 H HN -0.445 7.904 8.280 0.324 0.125 0.576 227 G N -3.913 104.771 108.800 -0.193 0.000 2.359 227 G HA2 -0.147 nan 3.960 nan 0.000 0.293 227 G HA3 -0.147 nan 3.960 nan 0.000 0.293 227 G C -1.700 173.059 174.900 -0.235 0.000 1.300 227 G CA -0.401 44.510 45.100 -0.316 0.000 0.888 227 G HN -0.493 7.699 8.290 -0.163 0.000 0.541 228 V N 0.284 120.048 119.914 -0.251 0.000 1.959 228 V HA -0.165 nan 4.120 nan 0.000 0.242 228 V C -0.371 175.658 176.094 -0.110 0.000 1.613 228 V CA 0.522 62.751 62.300 -0.119 0.000 1.566 228 V CB -2.545 29.246 31.823 -0.054 0.000 1.547 228 V HN 0.455 8.464 8.190 -0.302 0.000 0.503 229 D N 2.107 122.426 120.400 -0.135 0.000 2.325 229 D HA -0.074 nan 4.640 nan 0.000 0.225 229 D C -0.037 176.162 176.300 -0.168 0.000 1.096 229 D CA -0.794 53.131 54.000 -0.125 0.000 0.844 229 D CB 0.405 41.140 40.800 -0.108 0.000 0.925 229 D HN 0.198 8.433 8.370 -0.133 0.055 0.513 230 L N -4.743 116.288 121.223 -0.319 0.000 3.970 230 L HA -0.458 nan 4.340 nan 0.000 0.425 230 L C 0.765 177.388 176.870 -0.412 0.000 1.162 230 L CA 0.368 54.874 54.840 -0.557 0.000 0.968 230 L CB -2.646 39.272 42.059 -0.234 0.000 1.896 230 L HN -0.050 7.983 8.230 -0.312 0.010 1.006 231 N N 0.745 119.240 118.700 -0.343 0.000 2.289 231 N HA -0.361 nan 4.740 nan 0.000 0.184 231 N C 0.840 176.232 175.510 -0.196 0.000 1.016 231 N CA 3.172 56.115 53.050 -0.178 0.000 0.872 231 N CB -0.268 38.122 38.487 -0.162 0.000 0.973 231 N HN 0.209 8.618 8.380 -0.358 -0.243 0.433 232 H N -2.538 116.387 119.070 -0.243 0.000 2.421 232 H HA -0.238 nan 4.556 nan 0.000 0.298 232 H C 1.645 176.793 175.328 -0.301 0.000 1.087 232 H CA 1.945 57.763 56.048 -0.383 0.000 1.330 232 H CB -0.939 28.559 29.762 -0.440 0.000 1.388 232 H HN -0.275 7.588 8.280 -0.637 0.035 0.526 233 I N -0.721 119.894 120.570 0.075 0.000 2.494 233 I HA -0.312 nan 4.170 nan 0.000 0.250 233 I C 0.825 176.767 176.117 -0.291 0.000 1.112 233 I CA 2.458 63.674 61.300 -0.140 0.000 1.438 233 I CB 0.702 38.418 38.000 -0.474 0.000 1.111 233 I HN -0.638 7.326 8.210 -0.183 0.136 0.431 234 Y N -3.216 117.051 120.300 -0.055 0.000 2.495 234 Y HA -0.054 nan 4.550 nan 0.000 0.293 234 Y C -0.047 175.830 175.900 -0.038 0.000 1.186 234 Y CA -0.589 57.494 58.100 -0.028 0.000 1.266 234 Y CB -0.385 38.072 38.460 -0.005 0.000 1.101 234 Y HN -0.705 7.528 8.280 -0.079 0.000 0.517 235 G N -0.668 108.153 108.800 0.036 0.000 2.767 235 G HA2 -0.396 nan 3.960 nan 0.000 0.686 235 G HA3 -0.396 nan 3.960 nan 0.000 0.686 235 G C -0.326 174.551 174.900 -0.038 0.000 1.213 235 G CA -0.192 44.900 45.100 -0.014 0.000 0.803 235 G HN -0.681 7.542 8.290 -0.019 0.055 0.603 236 E N 1.232 121.388 120.200 -0.074 0.000 2.472 236 E HA -0.093 nan 4.350 nan 0.000 0.200 236 E C 0.020 176.575 176.600 -0.074 0.000 1.046 236 E CA 1.618 57.967 56.400 -0.086 0.000 0.871 236 E CB 0.060 29.700 29.700 -0.099 0.000 0.806 236 E HN 0.635 8.947 8.360 -0.080 0.000 0.533 237 T N -5.336 109.176 114.554 -0.070 0.000 2.538 237 T HA 0.173 nan 4.350 nan 0.000 0.237 237 T C -1.588 173.046 174.700 -0.110 0.000 0.818 237 T CA -1.138 60.913 62.100 -0.082 0.000 1.193 237 T CB 1.786 70.606 68.868 -0.081 0.000 1.497 237 T HN -0.707 7.413 8.240 -0.061 0.082 0.503 238 L N -2.164 118.962 121.223 -0.161 0.000 2.515 238 L HA 0.541 nan 4.340 nan 0.000 0.202 238 L C 1.007 177.622 176.870 -0.424 0.000 1.056 238 L CA 1.109 55.763 54.840 -0.310 0.000 0.847 238 L CB 0.782 42.690 42.059 -0.250 0.000 1.131 238 L HN -0.046 8.102 8.230 -0.136 0.000 0.484 239 D N 0.039 120.313 120.400 -0.210 0.000 2.104 239 D HA -0.323 nan 4.640 nan 0.000 0.194 239 D C 2.506 178.777 176.300 -0.049 0.000 0.994 239 D CA 4.076 58.020 54.000 -0.094 0.000 0.830 239 D CB -0.072 40.705 40.800 -0.039 0.000 0.959 239 D HN 0.053 8.332 8.370 -0.151 0.000 0.452 240 R N -1.053 119.410 120.500 -0.062 0.000 2.090 240 R HA -0.214 nan 4.340 nan 0.000 0.228 240 R C 1.481 177.766 176.300 -0.024 0.000 1.110 240 R CA 2.329 58.411 56.100 -0.029 0.000 0.973 240 R CB -0.086 30.192 30.300 -0.036 0.000 0.869 240 R HN -0.146 8.075 8.270 -0.081 0.000 0.440 241 Q N -2.262 117.499 119.800 -0.065 0.000 2.170 241 Q HA -0.220 nan 4.340 nan 0.000 0.203 241 Q C 2.444 178.420 176.000 -0.040 0.000 0.976 241 Q CA 2.773 58.558 55.803 -0.031 0.000 0.858 241 Q CB 0.004 28.707 28.738 -0.059 0.000 0.907 241 Q HN 0.014 8.143 8.270 -0.110 0.075 0.433 242 H N -0.267 118.773 119.070 -0.049 0.000 2.357 242 H HA -0.090 nan 4.556 nan 0.000 0.301 242 H C 2.465 177.752 175.328 -0.068 0.000 1.082 242 H CA 1.928 57.970 56.048 -0.010 0.000 1.342 242 H CB -0.037 29.842 29.762 0.196 0.000 1.389 242 H HN 0.007 8.099 8.280 -0.128 0.112 0.511 243 K N -1.001 119.462 120.400 0.105 0.000 2.616 243 K HA -0.133 nan 4.320 nan 0.000 0.192 243 K C 0.895 177.493 176.600 -0.004 0.000 1.031 243 K CA 1.792 58.111 56.287 0.053 0.000 1.004 243 K CB -0.517 32.014 32.500 0.052 0.000 0.810 243 K HN -0.542 7.682 8.250 0.102 0.088 0.497 244 L N -3.947 117.243 121.223 -0.055 0.000 2.948 244 L HA 0.104 nan 4.340 nan 0.000 0.259 244 L C -0.905 175.880 176.870 -0.142 0.000 1.136 244 L CA -0.597 54.208 54.840 -0.058 0.000 0.959 244 L CB 2.041 44.094 42.059 -0.010 0.000 1.370 244 L HN -0.662 7.411 8.230 -0.077 0.111 0.552 245 R N -0.122 120.189 120.500 -0.317 0.000 2.500 245 R HA 0.085 nan 4.340 nan 0.000 0.275 245 R C 0.126 176.084 176.300 -0.570 0.000 1.051 245 R CA 0.684 56.482 56.100 -0.503 0.000 1.088 245 R CB 1.076 30.839 30.300 -0.894 0.000 1.063 245 R HN -0.745 7.201 8.270 -0.348 0.115 0.511 246 L N 4.498 125.503 121.223 -0.364 0.000 2.209 246 L HA 0.018 nan 4.340 nan 0.000 0.207 246 L C 0.023 176.866 176.870 -0.046 0.000 1.094 246 L CA 0.909 55.632 54.840 -0.194 0.000 0.790 246 L CB 1.012 42.980 42.059 -0.151 0.000 0.932 246 L HN 0.333 8.405 8.230 -0.262 0.000 0.447 247 F N -4.978 114.957 119.950 -0.025 0.000 3.040 247 F HA -0.424 nan 4.527 nan 0.000 0.298 247 F C -1.422 174.376 175.800 -0.003 0.000 0.948 247 F CA 1.172 59.147 58.000 -0.042 0.000 1.022 247 F CB -2.049 36.898 39.000 -0.088 0.000 1.023 247 F HN -0.506 7.574 8.300 -0.322 0.028 0.742 248 K N -0.326 120.170 120.400 0.161 0.000 2.589 248 K HA 0.085 nan 4.320 nan 0.000 0.253 248 K C -1.631 175.054 176.600 0.141 0.000 0.974 248 K CA -0.405 55.959 56.287 0.128 0.000 0.835 248 K CB 2.551 35.100 32.500 0.081 0.000 1.272 248 K HN -0.550 7.837 8.250 0.127 -0.060 0.444 249 D N 1.510 122.004 120.400 0.157 0.000 2.983 249 D HA -0.331 nan 4.640 nan 0.000 0.225 249 D C -0.128 176.305 176.300 0.221 0.000 1.174 249 D CA 1.357 55.463 54.000 0.177 0.000 0.831 249 D CB -1.610 39.282 40.800 0.154 0.000 1.104 249 D HN 0.786 9.245 8.370 0.148 0.000 0.421 250 G N -6.603 102.352 108.800 0.257 0.000 2.189 250 G HA2 -0.568 nan 3.960 nan 0.000 0.267 250 G HA3 -0.568 nan 3.960 nan 0.000 0.267 250 G C -0.517 174.663 174.900 0.467 0.000 0.975 250 G CA 0.402 45.722 45.100 0.366 0.000 0.644 250 G HN 0.018 8.569 8.290 0.231 -0.122 0.537 251 K N 0.229 120.820 120.400 0.318 0.000 2.319 251 K HA -0.009 nan 4.320 nan 0.000 0.265 251 K C -1.138 175.583 176.600 0.202 0.000 1.000 251 K CA 0.020 56.488 56.287 0.302 0.000 0.943 251 K CB 0.595 33.174 32.500 0.131 0.000 0.950 251 K HN -0.279 7.915 8.250 0.234 0.197 0.485 252 L N 1.935 123.258 121.223 0.168 0.000 2.357 252 L HA 0.354 nan 4.340 nan 0.000 0.273 252 L C -0.369 176.435 176.870 -0.111 0.000 1.080 252 L CA -1.949 52.895 54.840 0.007 0.000 0.803 252 L CB 1.031 43.076 42.059 -0.024 0.000 1.174 252 L HN -0.183 8.572 8.230 0.301 -0.345 0.443 253 K N 5.810 126.120 120.400 -0.150 0.000 2.295 253 K HA -0.033 nan 4.320 nan 0.000 0.270 253 K C -1.667 174.861 176.600 -0.120 0.000 1.011 253 K CA 1.130 57.277 56.287 -0.233 0.000 0.953 253 K CB 1.211 33.630 32.500 -0.133 0.000 0.956 253 K HN 0.384 8.465 8.250 -0.115 0.100 0.477 254 Y N -0.864 119.440 120.300 0.006 0.000 2.896 254 Y HA 0.436 nan 4.550 nan 0.000 0.317 254 Y C -2.233 173.665 175.900 -0.003 0.000 1.444 254 Y CA -1.802 56.288 58.100 -0.016 0.000 1.084 254 Y CB 1.701 40.143 38.460 -0.031 0.000 1.382 254 Y HN -0.434 7.570 8.280 -0.461 0.000 0.471 255 Q N -3.400 116.618 119.800 0.364 0.000 2.386 255 Q HA 0.285 nan 4.340 nan 0.000 0.274 255 Q C -2.434 173.629 176.000 0.104 0.000 1.011 255 Q CA -1.044 54.905 55.803 0.244 0.000 0.867 255 Q CB 4.189 33.031 28.738 0.174 0.000 1.409 255 Q HN 0.450 8.851 8.270 0.218 0.000 0.395 256 V N 3.680 123.642 119.914 0.080 0.000 2.364 256 V HA 0.494 nan 4.120 nan 0.000 0.272 256 V C -0.683 175.465 176.094 0.090 0.000 1.036 256 V CA -0.431 61.885 62.300 0.026 0.000 0.880 256 V CB 0.200 32.005 31.823 -0.029 0.000 0.991 256 V HN 0.506 8.766 8.190 0.117 0.000 0.460 257 I N 7.688 128.355 120.570 0.162 0.000 2.330 257 I HA 0.157 nan 4.170 nan 0.000 0.286 257 I C 0.801 176.995 176.117 0.128 0.000 1.025 257 I CA -0.969 60.427 61.300 0.159 0.000 1.197 257 I CB 0.237 38.354 38.000 0.194 0.000 1.358 257 I HN 0.810 9.144 8.210 0.207 0.000 0.467 258 G N 8.533 117.375 108.800 0.071 0.000 2.451 258 G HA2 -0.433 nan 3.960 nan 0.000 0.253 258 G HA3 -0.433 nan 3.960 nan 0.000 0.253 258 G C 0.236 175.158 174.900 0.036 0.000 1.033 258 G CA 1.227 46.358 45.100 0.051 0.000 0.633 258 G HN 0.746 9.072 8.290 0.060 0.000 0.537 259 G N -1.028 107.792 108.800 0.033 0.000 4.226 259 G HA2 -0.120 nan 3.960 nan 0.000 0.220 259 G HA3 -0.120 nan 3.960 nan 0.000 0.220 259 G C -1.178 173.689 174.900 -0.055 0.000 0.817 259 G CA -0.149 44.944 45.100 -0.010 0.000 0.879 259 G HN 0.009 8.218 8.290 0.058 0.115 0.669 260 E N 0.782 120.956 120.200 -0.042 0.000 2.221 260 E HA 0.413 nan 4.350 nan 0.000 0.268 260 E C -1.441 174.943 176.600 -0.359 0.000 0.933 260 E CA -2.118 54.151 56.400 -0.219 0.000 0.809 260 E CB 2.591 32.136 29.700 -0.259 0.000 1.190 260 E HN -0.226 8.170 8.360 0.060 0.000 0.406 261 V N 1.881 121.486 119.914 -0.515 0.000 2.488 261 V HA 0.137 nan 4.120 nan 0.000 0.277 261 V C -0.832 174.821 176.094 -0.734 0.000 1.046 261 V CA 0.164 62.156 62.300 -0.514 0.000 0.986 261 V CB -0.286 31.232 31.823 -0.507 0.000 0.989 261 V HN 0.350 8.254 8.190 -0.478 0.000 0.475 262 Y N 6.711 126.887 120.300 -0.206 0.000 2.545 262 Y HA 0.417 nan 4.550 nan 0.000 0.348 262 Y C -2.857 172.849 175.900 -0.323 0.000 1.002 262 Y CA -3.217 54.657 58.100 -0.376 0.000 1.039 262 Y CB 3.184 41.326 38.460 -0.530 0.000 1.271 262 Y HN 0.873 8.956 8.280 -0.139 0.113 0.467 263 P HA 0.003 nan 4.420 nan 0.000 0.267 263 P C -2.348 174.949 177.300 -0.005 0.000 1.201 263 P CA -0.528 62.502 63.100 -0.118 0.000 0.775 263 P CB -0.700 30.936 31.700 -0.106 0.000 0.854 264 P HA 0.012 nan 4.420 nan 0.000 0.271 264 P C -1.375 176.043 177.300 0.197 0.000 1.233 264 P CA -0.739 62.432 63.100 0.120 0.000 0.789 264 P CB 1.313 33.056 31.700 0.071 0.000 0.951 265 T N -6.330 108.333 114.554 0.181 0.000 2.909 265 T HA 0.175 nan 4.350 nan 0.000 0.286 265 T C 1.075 175.848 174.700 0.122 0.000 1.002 265 T CA -1.607 60.601 62.100 0.179 0.000 1.074 265 T CB 2.042 70.982 68.868 0.120 0.000 0.984 265 T HN -0.330 7.995 8.240 0.141 0.000 0.495 266 V N 4.100 124.084 119.914 0.117 0.000 2.392 266 V HA -0.379 nan 4.120 nan 0.000 0.249 266 V C -0.165 175.964 176.094 0.058 0.000 1.059 266 V CA 3.712 66.069 62.300 0.095 0.000 1.051 266 V CB -0.612 31.276 31.823 0.108 0.000 0.658 266 V HN 0.541 8.808 8.190 0.128 0.000 0.455 267 K N -3.815 116.608 120.400 0.039 0.000 2.097 267 K HA -0.244 nan 4.320 nan 0.000 0.206 267 K C 0.113 176.734 176.600 0.034 0.000 1.049 267 K CA 2.516 58.818 56.287 0.025 0.000 0.933 267 K CB -0.122 32.383 32.500 0.009 0.000 0.717 267 K HN 0.166 8.422 8.250 0.033 0.013 0.442 268 D N -2.659 117.769 120.400 0.046 0.000 2.107 268 D HA -0.071 nan 4.640 nan 0.000 0.204 268 D C 0.511 176.838 176.300 0.045 0.000 0.978 268 D CA 2.146 56.174 54.000 0.047 0.000 0.852 268 D CB 1.431 42.266 40.800 0.059 0.000 1.008 268 D HN -0.710 7.566 8.370 0.057 0.128 0.458 269 T N -1.733 112.852 114.554 0.052 0.000 2.811 269 T HA 0.313 nan 4.350 nan 0.000 0.309 269 T C 1.207 175.936 174.700 0.047 0.000 1.005 269 T CA -1.076 61.051 62.100 0.045 0.000 0.955 269 T CB -0.522 68.371 68.868 0.042 0.000 0.970 269 T HN 0.035 8.313 8.240 0.064 0.000 0.496 270 Q N 4.448 124.272 119.800 0.041 0.000 2.656 270 Q HA -0.285 nan 4.340 nan 0.000 0.221 270 Q C 0.297 176.318 176.000 0.035 0.000 0.974 270 Q CA 0.997 56.822 55.803 0.037 0.000 0.959 270 Q CB -1.535 27.221 28.738 0.030 0.000 0.989 270 Q HN 0.623 8.916 8.270 0.040 0.000 0.579 271 V N 0.159 120.096 119.914 0.039 0.000 2.475 271 V HA -0.182 nan 4.120 nan 0.000 0.292 271 V C -0.781 175.333 176.094 0.034 0.000 1.003 271 V CA 0.225 62.543 62.300 0.031 0.000 1.120 271 V CB 0.291 32.133 31.823 0.032 0.000 0.937 271 V HN -0.267 7.840 8.190 0.042 0.109 0.476 272 E N 7.628 127.838 120.200 0.017 0.000 2.413 272 E HA 0.003 nan 4.350 nan 0.000 0.263 272 E C -1.410 175.193 176.600 0.004 0.000 1.015 272 E CA 1.017 57.425 56.400 0.014 0.000 0.916 272 E CB 1.006 30.704 29.700 -0.002 0.000 0.947 272 E HN 0.134 8.499 8.360 0.008 0.000 0.440 273 M N -0.131 119.476 119.600 0.012 0.000 2.745 273 M HA 0.572 nan 4.480 nan 0.000 0.290 273 M C -0.590 175.648 176.300 -0.102 0.000 1.262 273 M CA -1.942 53.329 55.300 -0.049 0.000 0.795 273 M CB 4.580 37.181 32.600 0.002 0.000 1.758 273 M HN 0.060 8.371 8.290 0.034 0.000 0.461 274 I N 0.860 121.271 120.570 -0.264 0.000 2.420 274 I HA 0.118 nan 4.170 nan 0.000 0.282 274 I C -2.020 173.853 176.117 -0.407 0.000 1.019 274 I CA -0.347 60.816 61.300 -0.229 0.000 1.130 274 I CB 0.336 38.246 38.000 -0.150 0.000 1.262 274 I HN -0.073 7.906 8.210 -0.385 0.000 0.454 275 Y N 5.677 125.908 120.300 -0.115 0.000 2.504 275 Y HA 0.331 nan 4.550 nan 0.000 0.344 275 Y C -2.229 173.500 175.900 -0.285 0.000 1.023 275 Y CA -3.175 54.809 58.100 -0.193 0.000 1.020 275 Y CB 1.909 40.267 38.460 -0.170 0.000 1.282 275 Y HN -0.037 8.232 8.280 -0.018 0.000 0.454 276 P HA 0.197 nan 4.420 nan 0.000 0.264 276 P C -1.819 175.229 177.300 -0.419 0.000 1.193 276 P CA -1.265 61.585 63.100 -0.417 0.000 0.763 276 P CB -0.202 31.124 31.700 -0.623 0.000 0.810 277 P HA -0.126 nan 4.420 nan 0.000 0.229 277 P C -1.266 176.034 177.300 0.002 0.000 1.597 277 P CA 1.148 64.199 63.100 -0.081 0.000 1.030 277 P CB -1.644 30.047 31.700 -0.015 0.000 1.897 278 H N -5.669 113.374 119.070 -0.044 0.000 2.423 278 H HA 0.015 nan 4.556 nan 0.000 0.162 278 H C -0.338 174.951 175.328 -0.065 0.000 1.008 278 H CA -0.453 55.569 56.048 -0.043 0.000 0.723 278 H CB 0.766 30.512 29.762 -0.027 0.000 0.681 278 H HN 0.381 8.435 8.280 -0.303 0.044 0.481 279 I N 6.483 126.816 120.570 -0.395 0.000 2.821 279 I HA -0.091 nan 4.170 nan 0.000 0.294 279 I C 0.158 176.157 176.117 -0.197 0.000 1.210 279 I CA -0.641 60.490 61.300 -0.282 0.000 1.430 279 I CB -0.387 37.363 38.000 -0.416 0.000 1.356 279 I HN -0.015 7.658 8.210 -0.715 0.108 0.563 280 P HA -0.246 nan 4.420 nan 0.000 0.224 280 P C -1.079 176.128 177.300 -0.154 0.000 1.138 280 P CA 1.259 64.280 63.100 -0.132 0.000 0.780 280 P CB -0.226 31.393 31.700 -0.134 0.000 0.755 281 E N -7.871 112.198 120.200 -0.218 0.000 3.916 281 E HA -0.390 nan 4.350 nan 0.000 0.331 281 E C -0.368 176.123 176.600 -0.182 0.000 0.729 281 E CA 1.627 57.914 56.400 -0.187 0.000 1.222 281 E CB -1.401 28.237 29.700 -0.104 0.000 1.633 281 E HN -0.257 7.828 8.360 -0.278 0.108 0.437 282 N N -2.971 115.596 118.700 -0.221 0.000 2.348 282 N HA -0.014 nan 4.740 nan 0.000 0.183 282 N C 0.432 175.718 175.510 -0.373 0.000 1.094 282 N CA 0.364 53.301 53.050 -0.189 0.000 0.885 282 N CB 0.185 38.590 38.487 -0.136 0.000 1.065 282 N HN -0.055 8.064 8.380 -0.235 0.121 0.472 283 L N 1.315 122.212 121.223 -0.543 0.000 1.993 283 L HA -0.013 nan 4.340 nan 0.000 0.206 283 L C -0.737 175.439 176.870 -1.156 0.000 1.074 283 L CA 2.385 56.682 54.840 -0.905 0.000 0.746 283 L CB -0.893 40.702 42.059 -0.775 0.000 0.896 283 L HN -0.515 7.446 8.230 -0.447 0.000 0.435 284 Q N -1.602 117.576 119.800 -1.036 0.000 2.621 284 Q HA -0.326 nan 4.340 nan 0.000 0.323 284 Q C -1.034 174.914 176.000 -0.087 0.000 1.097 284 Q CA 0.860 56.145 55.803 -0.862 0.000 1.177 284 Q CB -2.422 26.065 28.738 -0.419 0.000 1.314 284 Q HN 0.149 7.852 8.270 -0.946 0.000 0.348 285 F N 0.829 120.871 119.950 0.152 0.000 2.382 285 F HA 0.098 nan 4.527 nan 0.000 0.331 285 F C 0.298 176.233 175.800 0.226 0.000 1.121 285 F CA -1.574 56.534 58.000 0.180 0.000 1.183 285 F CB 0.582 39.678 39.000 0.159 0.000 1.207 285 F HN 0.187 8.479 8.300 0.002 0.009 0.555 286 A N 3.857 126.886 122.820 0.347 0.000 1.871 286 A HA -0.078 nan 4.320 nan 0.000 0.211 286 A C 0.577 178.244 177.584 0.138 0.000 1.207 286 A CA 2.975 55.131 52.037 0.197 0.000 0.620 286 A CB -0.104 18.978 19.000 0.136 0.000 0.860 286 A HN 0.725 9.082 8.150 0.345 0.000 0.450 287 V N -6.450 113.540 119.914 0.127 0.000 0.523 287 V HA -0.497 nan 4.120 nan 0.000 0.092 287 V C 1.134 177.247 176.094 0.031 0.000 2.217 287 V CA 2.317 64.677 62.300 0.100 0.000 3.561 287 V CB -1.562 30.373 31.823 0.188 0.000 0.853 287 V HN 0.402 8.667 8.190 0.126 0.000 0.890 288 G N 0.475 109.264 108.800 -0.018 0.000 4.020 288 G HA2 -0.155 nan 3.960 nan 0.000 0.195 288 G HA3 -0.155 nan 3.960 nan 0.000 0.195 288 G C -1.255 173.532 174.900 -0.187 0.000 1.819 288 G CA -0.090 44.961 45.100 -0.081 0.000 1.109 288 G HN 0.088 8.326 8.290 -0.008 0.047 0.385 289 Q N 3.825 123.388 119.800 -0.395 0.000 2.361 289 Q HA 0.103 nan 4.340 nan 0.000 0.250 289 Q C 0.290 176.029 176.000 -0.435 0.000 1.023 289 Q CA -0.985 54.443 55.803 -0.625 0.000 0.915 289 Q CB 0.025 27.851 28.738 -1.521 0.000 1.238 289 Q HN -0.278 7.747 8.270 -0.408 0.000 0.451 290 E N 7.424 127.484 120.200 -0.234 0.000 2.301 290 E HA -0.467 nan 4.350 nan 0.000 0.202 290 E C 0.928 177.460 176.600 -0.114 0.000 1.017 290 E CA 3.291 59.605 56.400 -0.144 0.000 0.831 290 E CB 0.113 29.750 29.700 -0.104 0.000 0.742 290 E HN 0.162 8.550 8.360 -0.213 -0.156 0.491 291 V N -0.668 119.215 119.914 -0.051 0.000 2.599 291 V HA -0.216 nan 4.120 nan 0.000 0.245 291 V C 1.383 177.607 176.094 0.218 0.000 1.046 291 V CA 3.366 65.720 62.300 0.089 0.000 1.065 291 V CB -0.348 31.591 31.823 0.193 0.000 0.703 291 V HN -0.297 8.061 8.190 -0.121 -0.240 0.464 292 F N -1.560 118.391 119.950 0.003 0.000 2.376 292 F HA -0.340 nan 4.527 nan 0.000 0.297 292 F C 1.471 177.260 175.800 -0.019 0.000 1.044 292 F CA 0.675 58.683 58.000 0.013 0.000 1.452 292 F CB -2.049 36.981 39.000 0.051 0.000 1.113 292 F HN -0.203 8.276 8.300 0.297 0.000 0.580 293 G N -3.235 105.603 108.800 0.062 0.000 2.777 293 G HA2 -0.142 nan 3.960 nan 0.000 0.211 293 G HA3 -0.142 nan 3.960 nan 0.000 0.211 293 G C 0.375 175.309 174.900 0.056 0.000 1.149 293 G CA 0.494 45.570 45.100 -0.040 0.000 0.785 293 G HN -0.584 7.600 8.290 -0.028 0.090 0.536 294 L N -0.859 120.418 121.223 0.089 0.000 2.610 294 L HA 0.052 nan 4.340 nan 0.000 0.232 294 L C -1.204 175.685 176.870 0.032 0.000 1.149 294 L CA 0.575 55.584 54.840 0.281 0.000 0.872 294 L CB 0.096 42.372 42.059 0.361 0.000 0.992 294 L HN -0.069 8.155 8.230 0.071 0.049 0.447 295 V N -2.607 117.257 119.914 -0.083 0.000 2.653 295 V HA 0.159 nan 4.120 nan 0.000 0.298 295 V C -2.367 173.491 176.094 -0.393 0.000 1.097 295 V CA -1.678 60.456 62.300 -0.277 0.000 0.908 295 V CB 1.994 33.712 31.823 -0.175 0.000 1.024 295 V HN -0.882 7.220 8.190 -0.033 0.068 0.435 296 P HA -0.195 nan 4.420 nan 0.000 0.220 296 P C 1.067 178.096 177.300 -0.451 0.000 1.144 296 P CA 2.963 65.722 63.100 -0.568 0.000 0.800 296 P CB 0.273 31.453 31.700 -0.866 0.000 0.772 297 G N -2.952 105.458 108.800 -0.651 0.000 2.394 297 G HA2 -0.164 nan 3.960 nan 0.000 0.214 297 G HA3 -0.164 nan 3.960 nan 0.000 0.214 297 G C 1.352 175.881 174.900 -0.617 0.000 1.176 297 G CA 1.654 46.194 45.100 -0.933 0.000 0.786 297 G HN 0.130 7.920 8.290 -0.768 0.039 0.533 298 L N 2.520 123.420 121.223 -0.538 0.000 1.955 298 L HA -0.260 nan 4.340 nan 0.000 0.213 298 L C 2.194 178.925 176.870 -0.232 0.000 1.072 298 L CA 2.222 56.824 54.840 -0.397 0.000 0.755 298 L CB -0.649 41.139 42.059 -0.452 0.000 0.888 298 L HN -0.479 7.394 8.230 -0.596 0.000 0.432 299 M N -1.690 117.828 119.600 -0.137 0.000 2.255 299 M HA -0.435 nan 4.480 nan 0.000 0.259 299 M C 1.784 178.030 176.300 -0.091 0.000 1.071 299 M CA 2.594 57.889 55.300 -0.008 0.000 1.074 299 M CB -0.530 32.103 32.600 0.055 0.000 1.384 299 M HN -0.567 7.625 8.290 -0.164 0.000 0.415 300 M N -0.899 118.556 119.600 -0.243 0.000 2.123 300 M HA -0.352 nan 4.480 nan 0.000 0.263 300 M C 1.919 178.075 176.300 -0.239 0.000 1.069 300 M CA 4.205 59.306 55.300 -0.333 0.000 1.133 300 M CB -0.442 31.872 32.600 -0.476 0.000 1.356 300 M HN -0.527 7.431 8.290 -0.294 0.155 0.415 301 Y N -1.447 118.687 120.300 -0.278 0.000 2.293 301 Y HA -0.338 nan 4.550 nan 0.000 0.291 301 Y C 1.748 177.493 175.900 -0.257 0.000 1.137 301 Y CA 2.227 60.088 58.100 -0.399 0.000 1.202 301 Y CB -0.874 37.145 38.460 -0.735 0.000 0.990 301 Y HN -0.268 7.807 8.280 -0.212 0.078 0.537 302 A N -1.676 121.185 122.820 0.068 0.000 1.898 302 A HA -0.348 nan 4.320 nan 0.000 0.216 302 A C 1.875 179.551 177.584 0.153 0.000 1.181 302 A CA 3.599 55.798 52.037 0.271 0.000 0.620 302 A CB -0.950 18.237 19.000 0.311 0.000 0.819 302 A HN -0.089 8.062 8.150 0.001 0.000 0.442 303 T N 1.684 116.253 114.554 0.024 0.000 2.881 303 T HA -0.296 nan 4.350 nan 0.000 0.270 303 T C 2.132 176.784 174.700 -0.081 0.000 1.068 303 T CA 4.520 66.580 62.100 -0.066 0.000 1.131 303 T CB -0.813 67.969 68.868 -0.144 0.000 0.871 303 T HN -0.602 7.638 8.240 0.000 0.000 0.479 304 I N 1.547 122.068 120.570 -0.083 0.000 2.072 304 I HA -0.434 nan 4.170 nan 0.000 0.235 304 I C 1.545 177.601 176.117 -0.102 0.000 1.058 304 I CA 2.344 63.544 61.300 -0.166 0.000 1.320 304 I CB -1.310 36.524 38.000 -0.276 0.000 1.047 304 I HN -0.585 7.443 8.210 -0.061 0.145 0.397 305 W N -1.580 119.749 121.300 0.048 0.000 2.318 305 W HA -0.432 nan 4.660 nan 0.000 0.313 305 W C 2.361 178.913 176.519 0.054 0.000 1.221 305 W CA 3.358 60.744 57.345 0.069 0.000 1.266 305 W CB -0.494 29.026 29.460 0.100 0.000 1.150 305 W HN -0.422 7.745 8.180 -0.021 0.000 0.496 306 L N -1.576 119.794 121.223 0.244 0.000 2.021 306 L HA -0.520 nan 4.340 nan 0.000 0.215 306 L C 1.452 178.426 176.870 0.172 0.000 1.074 306 L CA 3.960 58.890 54.840 0.149 0.000 0.760 306 L CB -0.309 41.800 42.059 0.083 0.000 0.889 306 L HN 0.599 8.977 8.230 0.247 0.000 0.433 307 R N -2.949 117.608 120.500 0.095 0.000 2.075 307 R HA -0.391 nan 4.340 nan 0.000 0.232 307 R C 2.164 178.531 176.300 0.110 0.000 1.126 307 R CA 3.378 59.516 56.100 0.063 0.000 0.963 307 R CB -0.595 29.672 30.300 -0.054 0.000 0.858 307 R HN -0.591 7.712 8.270 0.047 -0.005 0.435 308 E N -0.337 119.938 120.200 0.126 0.000 2.070 308 E HA -0.347 nan 4.350 nan 0.000 0.197 308 E C 2.063 178.792 176.600 0.214 0.000 1.004 308 E CA 2.829 59.322 56.400 0.156 0.000 0.805 308 E CB -0.487 29.341 29.700 0.213 0.000 0.744 308 E HN -0.256 8.088 8.360 0.105 0.079 0.451 309 H N -0.298 118.890 119.070 0.196 0.000 2.257 309 H HA -0.471 nan 4.556 nan 0.000 0.292 309 H C 2.408 177.838 175.328 0.171 0.000 1.075 309 H CA 4.104 60.267 56.048 0.190 0.000 1.212 309 H CB 0.105 29.975 29.762 0.180 0.000 1.354 309 H HN 0.124 8.632 8.280 0.380 0.000 0.497 310 Q N -1.941 118.037 119.800 0.297 0.000 2.062 310 Q HA -0.461 nan 4.340 nan 0.000 0.209 310 Q C 2.388 178.464 176.000 0.127 0.000 0.996 310 Q CA 3.466 59.406 55.803 0.227 0.000 0.859 310 Q CB -0.584 28.327 28.738 0.288 0.000 0.920 310 Q HN -0.504 7.999 8.270 0.388 0.000 0.415 311 R N -0.745 119.820 120.500 0.108 0.000 2.103 311 R HA -0.385 nan 4.340 nan 0.000 0.242 311 R C 2.429 178.768 176.300 0.065 0.000 1.142 311 R CA 3.365 59.509 56.100 0.074 0.000 0.960 311 R CB -0.074 30.259 30.300 0.056 0.000 0.858 311 R HN -0.271 8.073 8.270 0.124 0.000 0.439 312 V N -0.441 119.504 119.914 0.051 0.000 2.244 312 V HA -0.383 nan 4.120 nan 0.000 0.244 312 V C 1.847 177.969 176.094 0.046 0.000 1.042 312 V CA 4.258 66.585 62.300 0.045 0.000 1.006 312 V CB -0.663 31.173 31.823 0.020 0.000 0.641 312 V HN -0.186 7.939 8.190 0.054 0.097 0.446 313 C N 0.237 119.534 119.300 -0.005 0.000 2.391 313 C HA -0.537 nan 4.460 nan 0.000 0.276 313 C C 2.294 177.354 174.990 0.116 0.000 1.191 313 C CA 4.545 63.599 59.018 0.059 0.000 1.808 313 C CB -2.234 25.556 27.740 0.083 0.000 2.095 313 C HN 0.324 8.499 8.230 -0.091 0.000 0.478 314 D N -0.632 119.828 120.400 0.100 0.000 2.149 314 D HA -0.152 nan 4.640 nan 0.000 0.201 314 D C 2.177 178.523 176.300 0.077 0.000 0.972 314 D CA 3.497 57.553 54.000 0.093 0.000 0.835 314 D CB -0.629 40.220 40.800 0.081 0.000 0.966 314 D HN 0.027 8.428 8.370 0.089 0.022 0.476 315 I N -0.040 120.573 120.570 0.073 0.000 2.179 315 I HA -0.426 nan 4.170 nan 0.000 0.242 315 I C 2.652 178.813 176.117 0.073 0.000 1.088 315 I CA 3.255 64.591 61.300 0.061 0.000 1.357 315 I CB 0.011 38.053 38.000 0.069 0.000 1.051 315 I HN -0.302 7.863 8.210 0.075 0.090 0.409 316 L N -0.613 120.685 121.223 0.125 0.000 2.042 316 L HA -0.353 nan 4.340 nan 0.000 0.210 316 L C 1.560 178.519 176.870 0.149 0.000 1.076 316 L CA 2.953 57.907 54.840 0.189 0.000 0.749 316 L CB -1.003 41.238 42.059 0.303 0.000 0.893 316 L HN 0.355 8.550 8.230 0.125 0.110 0.432 317 K N -2.367 118.121 120.400 0.147 0.000 2.360 317 K HA -0.347 nan 4.320 nan 0.000 0.201 317 K C 1.259 177.882 176.600 0.040 0.000 1.046 317 K CA 2.574 58.937 56.287 0.126 0.000 0.945 317 K CB -0.167 32.415 32.500 0.136 0.000 0.750 317 K HN -0.062 8.077 8.250 0.147 0.200 0.464 318 Q N -4.050 115.750 119.800 -0.001 0.000 2.157 318 Q HA 0.169 nan 4.340 nan 0.000 0.229 318 Q C -0.196 175.727 176.000 -0.130 0.000 0.827 318 Q CA -0.136 55.638 55.803 -0.048 0.000 1.055 318 Q CB 0.064 28.790 28.738 -0.019 0.000 1.157 318 Q HN -0.571 7.552 8.270 0.018 0.159 0.482 319 E N -1.646 118.425 120.200 -0.215 0.000 2.421 319 E HA 0.076 nan 4.350 nan 0.000 0.209 319 E C -0.422 175.572 176.600 -1.010 0.000 0.871 319 E CA 0.523 56.648 56.400 -0.458 0.000 1.064 319 E CB 2.633 32.149 29.700 -0.306 0.000 1.075 319 E HN -0.248 7.830 8.360 -0.140 0.197 0.513 320 H N -0.489 118.324 119.070 -0.428 0.000 2.429 320 H HA 0.400 nan 4.556 nan 0.000 0.231 320 H C -1.575 173.603 175.328 -0.249 0.000 1.416 320 H CA -2.872 52.807 56.048 -0.614 0.000 1.443 320 H CB 0.106 28.854 29.762 -1.691 0.000 1.591 320 H HN -0.191 7.918 8.280 -0.285 0.000 0.507 321 P HA -0.161 nan 4.420 nan 0.000 0.228 321 P C -0.728 176.607 177.300 0.058 0.000 1.151 321 P CA 1.662 64.758 63.100 -0.008 0.000 0.770 321 P CB -0.139 31.540 31.700 -0.035 0.000 0.786 322 E N -7.029 113.215 120.200 0.072 0.000 2.499 322 E HA 0.074 nan 4.350 nan 0.000 0.199 322 E C -0.708 176.091 176.600 0.331 0.000 1.016 322 E CA -0.915 55.577 56.400 0.154 0.000 0.933 322 E CB -0.937 28.834 29.700 0.118 0.000 1.050 322 E HN -0.244 8.025 8.360 0.003 0.093 0.462 323 W N 0.750 122.119 121.300 0.114 0.000 2.253 323 W HA 0.126 nan 4.660 nan 0.000 0.348 323 W C 0.400 176.967 176.519 0.081 0.000 1.229 323 W CA -0.643 56.759 57.345 0.095 0.000 1.335 323 W CB 0.917 30.441 29.460 0.107 0.000 1.165 323 W HN 0.047 8.281 8.180 0.342 0.151 0.631 324 G N -0.316 108.625 108.800 0.235 0.000 2.552 324 G HA2 0.234 nan 3.960 nan 0.000 0.324 324 G HA3 0.234 nan 3.960 nan 0.000 0.324 324 G C -1.046 173.942 174.900 0.148 0.000 1.217 324 G CA -2.160 43.029 45.100 0.147 0.000 0.989 324 G HN 0.023 8.395 8.290 0.137 0.000 0.490 325 D N -0.211 120.275 120.400 0.142 0.000 2.103 325 D HA -0.406 nan 4.640 nan 0.000 0.190 325 D C 1.685 178.097 176.300 0.187 0.000 0.997 325 D CA 3.727 57.837 54.000 0.183 0.000 0.833 325 D CB -0.140 40.775 40.800 0.192 0.000 0.961 325 D HN 0.198 8.640 8.370 0.121 0.000 0.447 326 E N -2.457 117.815 120.200 0.120 0.000 2.171 326 E HA -0.329 nan 4.350 nan 0.000 0.197 326 E C 2.495 179.136 176.600 0.069 0.000 0.997 326 E CA 3.284 59.745 56.400 0.102 0.000 0.810 326 E CB -0.511 29.206 29.700 0.028 0.000 0.738 326 E HN 0.456 8.867 8.360 0.085 0.000 0.467 327 Q N 0.150 119.916 119.800 -0.057 0.000 2.062 327 Q HA -0.181 nan 4.340 nan 0.000 0.196 327 Q C 2.483 178.355 176.000 -0.213 0.000 0.967 327 Q CA 2.966 58.591 55.803 -0.297 0.000 0.832 327 Q CB -0.174 28.135 28.738 -0.715 0.000 0.899 327 Q HN -0.648 7.488 8.270 -0.036 0.113 0.442 328 L N -0.021 121.221 121.223 0.030 0.000 2.043 328 L HA -0.463 nan 4.340 nan 0.000 0.212 328 L C 2.155 179.144 176.870 0.198 0.000 1.075 328 L CA 3.186 58.161 54.840 0.224 0.000 0.752 328 L CB -0.347 41.900 42.059 0.313 0.000 0.891 328 L HN -0.302 7.974 8.230 0.077 0.000 0.432 329 F N -0.788 119.238 119.950 0.127 0.000 2.075 329 F HA -0.516 nan 4.527 nan 0.000 0.297 329 F C 1.391 177.256 175.800 0.107 0.000 1.113 329 F CA 4.089 62.209 58.000 0.200 0.000 1.218 329 F CB 0.179 39.272 39.000 0.155 0.000 0.984 329 F HN 0.182 8.709 8.300 0.378 0.000 0.472 330 Q N -3.269 116.679 119.800 0.246 0.000 2.224 330 Q HA -0.286 nan 4.340 nan 0.000 0.203 330 Q C 2.975 178.962 176.000 -0.021 0.000 0.970 330 Q CA 2.952 58.806 55.803 0.085 0.000 0.865 330 Q CB -0.383 28.416 28.738 0.101 0.000 0.922 330 Q HN -0.272 8.194 8.270 0.327 0.000 0.445 331 T N 3.137 117.675 114.554 -0.026 0.000 2.896 331 T HA -0.107 nan 4.350 nan 0.000 0.263 331 T C 2.116 176.885 174.700 0.116 0.000 1.050 331 T CA 4.045 66.174 62.100 0.049 0.000 1.140 331 T CB -0.425 68.477 68.868 0.057 0.000 0.877 331 T HN 0.233 8.430 8.240 -0.037 0.021 0.457 332 S N 3.517 119.229 115.700 0.021 0.000 2.351 332 S HA -0.360 nan 4.470 nan 0.000 0.220 332 S C 1.146 175.768 174.600 0.036 0.000 1.035 332 S CA 4.314 62.486 58.200 -0.047 0.000 1.031 332 S CB -0.296 62.647 63.200 -0.429 0.000 0.928 332 S HN 0.043 8.350 8.310 -0.004 0.000 0.433 333 K N 1.137 121.499 120.400 -0.063 0.000 2.173 333 K HA -0.347 nan 4.320 nan 0.000 0.207 333 K C 2.232 178.871 176.600 0.065 0.000 1.046 333 K CA 3.330 59.569 56.287 -0.081 0.000 0.929 333 K CB -0.108 32.022 32.500 -0.617 0.000 0.720 333 K HN -0.593 7.516 8.250 -0.235 0.000 0.453 334 L N -2.639 118.663 121.223 0.132 0.000 2.044 334 L HA -0.285 nan 4.340 nan 0.000 0.205 334 L C 2.199 179.229 176.870 0.268 0.000 1.075 334 L CA 2.641 57.660 54.840 0.298 0.000 0.747 334 L CB -0.094 42.262 42.059 0.495 0.000 0.903 334 L HN -0.857 7.308 8.230 0.097 0.123 0.435 335 I N -0.416 120.295 120.570 0.235 0.000 2.142 335 I HA -0.582 nan 4.170 nan 0.000 0.240 335 I C 2.042 178.226 176.117 0.112 0.000 1.078 335 I CA 4.175 65.533 61.300 0.096 0.000 1.343 335 I CB -0.230 37.862 38.000 0.154 0.000 1.046 335 I HN -0.491 7.804 8.210 0.263 0.073 0.405 336 L N -0.942 120.385 121.223 0.173 0.000 2.013 336 L HA -0.414 nan 4.340 nan 0.000 0.212 336 L C 2.035 178.987 176.870 0.137 0.000 1.073 336 L CA 4.077 59.048 54.840 0.220 0.000 0.753 336 L CB -0.718 41.502 42.059 0.270 0.000 0.890 336 L HN 0.046 8.383 8.230 0.177 0.000 0.432 337 I N -2.142 118.489 120.570 0.102 0.000 2.194 337 I HA -0.611 nan 4.170 nan 0.000 0.246 337 I C 1.911 178.075 176.117 0.078 0.000 1.093 337 I CA 4.109 65.446 61.300 0.062 0.000 1.355 337 I CB -0.704 37.344 38.000 0.080 0.000 1.046 337 I HN -0.313 7.975 8.210 0.129 0.000 0.413 338 G N -1.330 107.529 108.800 0.098 0.000 2.446 338 G HA2 -0.387 nan 3.960 nan 0.000 0.217 338 G HA3 -0.387 nan 3.960 nan 0.000 0.217 338 G C 1.157 176.143 174.900 0.144 0.000 1.168 338 G CA 2.005 47.187 45.100 0.136 0.000 0.771 338 G HN -0.004 8.244 8.290 0.086 0.094 0.551 339 E N 1.623 121.911 120.200 0.146 0.000 2.031 339 E HA -0.425 nan 4.350 nan 0.000 0.193 339 E C 2.575 179.276 176.600 0.168 0.000 0.994 339 E CA 3.361 59.875 56.400 0.189 0.000 0.800 339 E CB -0.151 29.717 29.700 0.280 0.000 0.752 339 E HN 0.083 8.437 8.360 0.139 0.089 0.447 340 T N 2.987 117.649 114.554 0.180 0.000 2.699 340 T HA -0.284 nan 4.350 nan 0.000 0.268 340 T C 2.159 176.845 174.700 -0.024 0.000 1.036 340 T CA 5.058 67.251 62.100 0.155 0.000 1.147 340 T CB -0.696 68.204 68.868 0.053 0.000 0.862 340 T HN 0.325 8.665 8.240 0.168 0.000 0.446 341 I N -1.002 119.458 120.570 -0.183 0.000 2.493 341 I HA -0.465 nan 4.170 nan 0.000 0.254 341 I C 1.253 176.930 176.117 -0.734 0.000 1.160 341 I CA 3.314 64.306 61.300 -0.514 0.000 1.445 341 I CB -0.437 37.063 38.000 -0.832 0.000 1.086 341 I HN 0.066 8.202 8.210 -0.121 0.002 0.433 342 K N 0.368 120.488 120.400 -0.467 0.000 1.991 342 K HA -0.219 nan 4.320 nan 0.000 0.207 342 K C 1.856 178.425 176.600 -0.052 0.000 1.045 342 K CA 2.636 58.827 56.287 -0.159 0.000 0.937 342 K CB -0.323 32.255 32.500 0.130 0.000 0.720 342 K HN -0.519 7.430 8.250 -0.268 0.140 0.438 343 I N -0.247 120.330 120.570 0.012 0.000 2.091 343 I HA -0.542 nan 4.170 nan 0.000 0.239 343 I C 1.866 177.962 176.117 -0.036 0.000 1.061 343 I CA 4.633 65.959 61.300 0.044 0.000 1.317 343 I CB -0.022 38.074 38.000 0.160 0.000 1.031 343 I HN 0.125 8.364 8.210 0.048 0.000 0.401 344 V N -2.004 117.808 119.914 -0.171 0.000 2.982 344 V HA -0.347 nan 4.120 nan 0.000 0.265 344 V C 2.043 178.079 176.094 -0.097 0.000 1.122 344 V CA 3.525 65.616 62.300 -0.348 0.000 1.143 344 V CB -1.467 29.920 31.823 -0.727 0.000 0.726 344 V HN -0.038 8.071 8.190 -0.136 0.000 0.507 345 I N -1.037 119.509 120.570 -0.039 0.000 3.345 345 I HA -0.049 nan 4.170 nan 0.000 0.258 345 I C 1.534 177.703 176.117 0.088 0.000 1.134 345 I CA 2.282 63.612 61.300 0.049 0.000 1.457 345 I CB 0.316 38.336 38.000 0.032 0.000 1.425 345 I HN -0.296 7.685 8.210 -0.080 0.181 0.461 346 E N -0.346 119.896 120.200 0.071 0.000 2.204 346 E HA -0.319 nan 4.350 nan 0.000 0.195 346 E C 1.389 178.040 176.600 0.086 0.000 0.990 346 E CA 3.068 59.512 56.400 0.072 0.000 0.821 346 E CB -0.048 29.696 29.700 0.074 0.000 0.750 346 E HN 0.167 8.555 8.360 0.047 0.000 0.477 347 D N -2.441 118.039 120.400 0.133 0.000 3.194 347 D HA 0.138 nan 4.640 nan 0.000 0.290 347 D C 1.388 177.933 176.300 0.408 0.000 1.280 347 D CA 1.451 55.584 54.000 0.221 0.000 1.058 347 D CB 0.999 41.909 40.800 0.182 0.000 1.241 347 D HN 0.020 8.423 8.370 0.120 0.039 0.421 348 Y N 1.825 122.214 120.300 0.147 0.000 2.089 348 Y HA -0.400 nan 4.550 nan 0.000 0.282 348 Y C 1.781 177.763 175.900 0.136 0.000 1.139 348 Y CA 4.518 62.575 58.100 -0.071 0.000 1.123 348 Y CB 0.323 38.515 38.460 -0.446 0.000 0.980 348 Y HN -0.330 8.130 8.280 0.300 0.000 0.493 349 V N -1.239 118.936 119.914 0.434 0.000 2.358 349 V HA -0.506 nan 4.120 nan 0.000 0.246 349 V C 2.052 178.227 176.094 0.135 0.000 1.047 349 V CA 3.749 66.238 62.300 0.315 0.000 1.035 349 V CB -0.953 31.031 31.823 0.269 0.000 0.658 349 V HN -0.600 7.710 8.190 0.375 0.105 0.452 350 Q N -1.402 118.473 119.800 0.124 0.000 2.112 350 Q HA -0.360 nan 4.340 nan 0.000 0.206 350 Q C 2.386 178.387 176.000 0.003 0.000 0.987 350 Q CA 2.935 58.758 55.803 0.034 0.000 0.858 350 Q CB -0.491 28.280 28.738 0.056 0.000 0.905 350 Q HN -0.191 8.177 8.270 0.163 0.000 0.420 351 H N 0.662 119.754 119.070 0.037 0.000 2.307 351 H HA -0.146 nan 4.556 nan 0.000 0.303 351 H C 1.594 176.853 175.328 -0.115 0.000 1.073 351 H CA 3.196 59.243 56.048 -0.001 0.000 1.338 351 H CB 0.453 30.304 29.762 0.148 0.000 1.389 351 H HN -0.107 8.241 8.280 0.301 0.113 0.503 352 L N -1.472 119.780 121.223 0.048 0.000 2.353 352 L HA -0.238 nan 4.340 nan 0.000 0.220 352 L C 0.730 177.457 176.870 -0.238 0.000 1.133 352 L CA 1.982 56.769 54.840 -0.088 0.000 0.798 352 L CB 0.339 42.510 42.059 0.186 0.000 0.922 352 L HN -0.140 8.259 8.230 0.282 0.000 0.445 353 S N -3.116 112.390 115.700 -0.323 0.000 2.404 353 S HA -0.063 nan 4.470 nan 0.000 0.223 353 S C 0.984 175.214 174.600 -0.617 0.000 1.040 353 S CA 1.303 59.128 58.200 -0.625 0.000 0.957 353 S CB 1.771 64.304 63.200 -1.111 0.000 0.826 353 S HN -0.275 7.831 8.310 -0.252 0.053 0.491 354 G N 3.237 111.745 108.800 -0.486 0.000 2.392 354 G HA2 -0.384 nan 3.960 nan 0.000 0.290 354 G HA3 -0.384 nan 3.960 nan 0.000 0.290 354 G C -0.983 173.772 174.900 -0.242 0.000 1.032 354 G CA 0.984 45.869 45.100 -0.358 0.000 1.269 354 G HN -0.565 7.459 8.290 -0.445 0.000 0.511 355 Y N 0.177 120.296 120.300 -0.301 0.000 2.612 355 Y HA 0.072 nan 4.550 nan 0.000 0.221 355 Y C 0.558 176.208 175.900 -0.418 0.000 0.991 355 Y CA -0.617 57.272 58.100 -0.353 0.000 1.165 355 Y CB 1.224 39.516 38.460 -0.280 0.000 1.043 355 Y HN -0.395 7.767 8.280 -0.196 0.000 0.474 356 H N -5.374 113.627 119.070 -0.115 0.000 1.795 356 H HA -0.146 nan 4.556 nan 0.000 0.115 356 H C -1.128 174.148 175.328 -0.086 0.000 1.198 356 H CA 0.377 56.350 56.048 -0.126 0.000 0.412 356 H CB 1.587 31.220 29.762 -0.216 0.000 0.313 356 H HN -0.102 8.189 8.280 0.018 0.000 0.206 357 F N 1.952 121.717 119.950 -0.307 0.000 2.538 357 F HA -0.106 nan 4.527 nan 0.000 0.371 357 F C -1.135 174.683 175.800 0.030 0.000 1.087 357 F CA -0.048 57.875 58.000 -0.128 0.000 1.250 357 F CB 1.156 39.872 39.000 -0.473 0.000 1.110 357 F HN -0.302 7.694 8.300 -0.507 0.000 0.570 358 K N 8.871 128.717 120.400 -0.923 0.000 2.250 358 K HA 0.048 nan 4.320 nan 0.000 0.285 358 K C -0.798 175.202 176.600 -0.999 0.000 1.097 358 K CA -1.350 54.512 56.287 -0.708 0.000 0.913 358 K CB -0.006 32.311 32.500 -0.305 0.000 1.179 358 K HN 0.187 8.380 8.250 -0.659 -0.339 0.462 359 L N 4.204 125.084 121.223 -0.570 0.000 2.489 359 L HA -0.140 nan 4.340 nan 0.000 0.285 359 L C -0.616 176.204 176.870 -0.084 0.000 1.259 359 L CA 0.944 55.667 54.840 -0.194 0.000 0.828 359 L CB 0.206 42.283 42.059 0.030 0.000 1.094 359 L HN 0.194 8.197 8.230 -0.379 0.000 0.524 360 K N 0.285 120.729 120.400 0.074 0.000 2.535 360 K HA 0.168 nan 4.320 nan 0.000 0.251 360 K C -1.647 175.060 176.600 0.179 0.000 0.942 360 K CA -1.180 55.173 56.287 0.110 0.000 0.798 360 K CB 3.408 35.969 32.500 0.102 0.000 1.267 360 K HN 0.159 8.495 8.250 0.144 0.000 0.434 361 F N 7.735 127.689 119.950 0.007 0.000 2.405 361 F HA 0.024 nan 4.527 nan 0.000 0.358 361 F C -1.682 174.086 175.800 -0.054 0.000 1.151 361 F CA -1.229 56.751 58.000 -0.034 0.000 1.161 361 F CB 0.048 39.032 39.000 -0.027 0.000 1.245 361 F HN -0.082 8.596 8.300 0.269 -0.217 0.545 362 D N 8.508 128.734 120.400 -0.291 0.000 2.364 362 D HA 0.350 nan 4.640 nan 0.000 0.251 362 D C -1.678 174.305 176.300 -0.527 0.000 1.282 362 D CA -2.951 50.806 54.000 -0.406 0.000 0.927 362 D CB 1.244 41.966 40.800 -0.129 0.000 1.267 362 D HN -0.548 7.768 8.370 -0.090 0.000 0.531 363 P HA -0.268 nan 4.420 nan 0.000 0.217 363 P C 0.885 177.543 177.300 -1.071 0.000 1.148 363 P CA 1.885 64.472 63.100 -0.855 0.000 0.834 363 P CB 0.298 31.251 31.700 -1.244 0.000 0.783 364 E N -3.023 116.493 120.200 -1.140 0.000 2.401 364 E HA -0.259 nan 4.350 nan 0.000 0.199 364 E C 1.473 177.737 176.600 -0.560 0.000 1.023 364 E CA 1.881 57.439 56.400 -1.402 0.000 0.859 364 E CB -0.674 28.781 29.700 -0.409 0.000 0.780 364 E HN -0.502 7.549 8.360 -0.701 -0.112 0.523 365 L N -2.659 118.353 121.223 -0.352 0.000 2.156 365 L HA -0.196 nan 4.340 nan 0.000 0.208 365 L C 1.701 178.526 176.870 -0.075 0.000 1.095 365 L CA 2.314 57.077 54.840 -0.129 0.000 0.770 365 L CB 0.138 42.146 42.059 -0.086 0.000 0.914 365 L HN -0.184 7.633 8.230 -0.408 0.169 0.439 366 L N -3.514 117.633 121.223 -0.127 0.000 2.592 366 L HA -0.044 nan 4.340 nan 0.000 0.227 366 L C 2.042 179.084 176.870 0.288 0.000 1.127 366 L CA 0.810 55.636 54.840 -0.024 0.000 0.884 366 L CB -0.040 41.822 42.059 -0.327 0.000 1.065 366 L HN -0.596 7.456 8.230 -0.261 0.021 0.457 367 F N 0.192 120.223 119.950 0.136 0.000 2.161 367 F HA -0.349 nan 4.527 nan 0.000 0.300 367 F C 1.539 177.433 175.800 0.157 0.000 1.089 367 F CA 2.206 60.317 58.000 0.185 0.000 1.282 367 F CB -0.978 38.121 39.000 0.166 0.000 1.010 367 F HN -0.538 7.662 8.300 0.151 0.190 0.485 368 N N -2.436 116.449 118.700 0.308 0.000 2.270 368 N HA -0.057 nan 4.740 nan 0.000 0.198 368 N C -0.276 175.334 175.510 0.167 0.000 1.117 368 N CA -0.000 53.173 53.050 0.206 0.000 0.845 368 N CB 0.377 38.963 38.487 0.165 0.000 0.980 368 N HN 0.101 8.633 8.380 0.275 0.012 0.486 369 Q N -0.379 119.531 119.800 0.183 0.000 2.297 369 Q HA 0.190 nan 4.340 nan 0.000 0.268 369 Q C -0.988 175.127 176.000 0.191 0.000 1.045 369 Q CA -0.912 54.982 55.803 0.152 0.000 0.861 369 Q CB 2.829 31.637 28.738 0.115 0.000 1.344 369 Q HN -0.457 7.761 8.270 0.225 0.187 0.452 370 Q N 1.382 121.276 119.800 0.157 0.000 2.313 370 Q HA -0.042 nan 4.340 nan 0.000 0.266 370 Q C -0.598 175.532 176.000 0.216 0.000 0.989 370 Q CA 1.060 56.957 55.803 0.156 0.000 0.890 370 Q CB 0.587 29.386 28.738 0.101 0.000 1.200 370 Q HN 0.248 8.594 8.270 0.126 0.000 0.396 371 F N 3.388 123.338 119.950 -0.001 0.000 2.650 371 F HA 0.081 nan 4.527 nan 0.000 0.310 371 F C -2.293 173.414 175.800 -0.155 0.000 1.112 371 F CA -0.252 57.668 58.000 -0.133 0.000 0.986 371 F CB 2.578 41.409 39.000 -0.282 0.000 1.285 371 F HN -0.023 8.395 8.300 0.197 0.000 0.440 372 Q N 4.964 124.080 119.800 -1.140 0.000 2.400 372 Q HA 0.183 nan 4.340 nan 0.000 0.255 372 Q C -0.739 174.672 176.000 -0.982 0.000 1.008 372 Q CA -1.541 53.830 55.803 -0.719 0.000 0.841 372 Q CB 0.530 29.007 28.738 -0.435 0.000 1.220 372 Q HN 0.293 7.655 8.270 -1.514 0.000 0.474 373 Y N 5.097 125.176 120.300 -0.369 0.000 2.734 373 Y HA -0.096 nan 4.550 nan 0.000 0.353 373 Y C -0.880 174.937 175.900 -0.139 0.000 1.244 373 Y CA 0.457 58.480 58.100 -0.127 0.000 1.950 373 Y CB -1.709 36.809 38.460 0.097 0.000 2.028 373 Y HN 0.330 8.690 8.280 0.134 0.000 0.421 374 Q N 0.857 120.567 119.800 -0.150 0.000 2.426 374 Q HA 0.225 nan 4.340 nan 0.000 0.278 374 Q C -2.556 173.337 176.000 -0.179 0.000 1.007 374 Q CA -1.008 54.718 55.803 -0.128 0.000 0.850 374 Q CB 3.855 32.523 28.738 -0.116 0.000 1.427 374 Q HN -0.012 8.008 8.270 -0.332 0.051 0.391 375 N N 2.274 120.877 118.700 -0.162 0.000 2.591 375 N HA 0.281 nan 4.740 nan 0.000 0.263 375 N C -2.335 173.067 175.510 -0.180 0.000 1.308 375 N CA 0.206 53.147 53.050 -0.182 0.000 0.837 375 N CB 3.233 41.608 38.487 -0.187 0.000 1.548 375 N HN 0.215 8.507 8.380 -0.146 0.000 0.493 376 R N 2.506 122.905 120.500 -0.168 0.000 2.549 376 R HA 0.338 nan 4.340 nan 0.000 0.291 376 R C -1.661 174.659 176.300 0.033 0.000 1.164 376 R CA -0.678 55.373 56.100 -0.082 0.000 0.973 376 R CB 2.069 32.220 30.300 -0.248 0.000 1.210 376 R HN 0.296 8.448 8.270 -0.197 0.000 0.422 377 I N 1.634 122.324 120.570 0.199 0.000 2.533 377 I HA 0.139 nan 4.170 nan 0.000 0.284 377 I C -1.066 175.177 176.117 0.212 0.000 1.109 377 I CA 0.067 61.394 61.300 0.046 0.000 1.412 377 I CB 1.224 39.229 38.000 0.009 0.000 1.396 377 I HN -0.100 8.324 8.210 0.357 0.000 0.543 378 A N 7.237 130.085 122.820 0.048 0.000 2.296 378 A HA 0.272 nan 4.320 nan 0.000 0.264 378 A C 0.874 178.527 177.584 0.115 0.000 1.097 378 A CA -0.489 51.595 52.037 0.079 0.000 0.811 378 A CB 1.156 20.084 19.000 -0.119 0.000 1.072 378 A HN 0.105 8.169 8.150 -0.144 0.000 0.495 379 S N 0.669 116.383 115.700 0.024 0.000 2.414 379 S HA -0.250 nan 4.470 nan 0.000 0.227 379 S C 2.174 176.809 174.600 0.058 0.000 1.022 379 S CA 3.628 61.725 58.200 -0.171 0.000 0.958 379 S CB -0.155 63.020 63.200 -0.042 0.000 0.797 379 S HN 0.400 8.753 8.310 0.072 0.000 0.493 380 E N 1.628 121.951 120.200 0.205 0.000 2.038 380 E HA -0.316 nan 4.350 nan 0.000 0.195 380 E C 1.904 178.698 176.600 0.324 0.000 1.000 380 E CA 2.670 59.245 56.400 0.291 0.000 0.803 380 E CB -1.317 28.610 29.700 0.380 0.000 0.750 380 E HN 0.228 8.688 8.360 0.167 0.000 0.448 381 F N -0.260 119.927 119.950 0.396 0.000 2.120 381 F HA -0.306 nan 4.527 nan 0.000 0.300 381 F C 1.214 177.169 175.800 0.258 0.000 1.095 381 F CA 2.974 61.277 58.000 0.504 0.000 1.249 381 F CB -0.031 39.350 39.000 0.636 0.000 0.995 381 F HN -0.177 8.560 8.300 0.729 0.000 0.480 382 N N -1.829 116.942 118.700 0.118 0.000 2.051 382 N HA -0.320 nan 4.740 nan 0.000 0.192 382 N C 2.562 177.696 175.510 -0.627 0.000 1.049 382 N CA 3.231 55.912 53.050 -0.615 0.000 0.845 382 N CB 0.343 38.624 38.487 -0.344 0.000 1.031 382 N HN -0.683 7.761 8.380 0.272 0.099 0.425 383 T N 3.967 118.236 114.554 -0.474 0.000 2.544 383 T HA -0.297 nan 4.350 nan 0.000 0.264 383 T C 1.945 176.306 174.700 -0.566 0.000 1.096 383 T CA 4.675 66.321 62.100 -0.756 0.000 1.181 383 T CB -0.169 68.471 68.868 -0.380 0.000 0.864 383 T HN 0.245 8.329 8.240 -0.261 0.000 0.415 384 L N -1.520 119.571 121.223 -0.221 0.000 2.450 384 L HA -0.270 nan 4.340 nan 0.000 0.225 384 L C 0.626 177.408 176.870 -0.147 0.000 1.145 384 L CA 2.812 57.581 54.840 -0.119 0.000 0.801 384 L CB -1.006 40.992 42.059 -0.102 0.000 0.924 384 L HN 0.238 8.389 8.230 -0.132 0.000 0.447 385 Y N -2.026 117.975 120.300 -0.500 0.000 2.461 385 Y HA -0.040 nan 4.550 nan 0.000 0.277 385 Y C -0.012 175.503 175.900 -0.641 0.000 1.182 385 Y CA 0.336 57.901 58.100 -0.891 0.000 1.276 385 Y CB 0.344 38.154 38.460 -1.084 0.000 1.087 385 Y HN -0.646 7.225 8.280 -0.372 0.186 0.519 386 H N 1.741 120.700 119.070 -0.186 0.000 3.224 386 H HA -0.076 nan 4.556 nan 0.000 0.265 386 H C -0.005 175.407 175.328 0.139 0.000 1.461 386 H CA -0.603 55.419 56.048 -0.044 0.000 1.509 386 H CB -2.317 27.587 29.762 0.238 0.000 1.686 386 H HN 0.051 8.249 8.280 -0.001 0.082 0.514 387 W N 3.939 125.174 121.300 -0.108 0.000 3.040 387 W HA 0.180 nan 4.660 nan 0.000 0.444 387 W C 0.454 176.902 176.519 -0.118 0.000 0.793 387 W CA -3.016 54.282 57.345 -0.078 0.000 2.104 387 W CB -2.771 26.681 29.460 -0.012 0.000 1.060 387 W HN 0.115 8.236 8.180 -0.063 0.021 0.842 388 H N 1.549 120.811 119.070 0.320 0.000 2.422 388 H HA -0.257 nan 4.556 nan 0.000 0.298 388 H C -0.509 174.912 175.328 0.154 0.000 1.098 388 H CA 6.433 62.616 56.048 0.226 0.000 1.315 388 H CB -1.871 28.011 29.762 0.200 0.000 1.382 388 H HN -0.540 7.649 8.280 -0.007 0.087 0.523 389 P HA -0.258 nan 4.420 nan 0.000 0.224 389 P C -0.121 177.157 177.300 -0.037 0.000 1.142 389 P CA 2.325 65.446 63.100 0.035 0.000 0.778 389 P CB -0.662 31.023 31.700 -0.024 0.000 0.764 390 L N -4.569 116.676 121.223 0.036 0.000 2.141 390 L HA -0.256 nan 4.340 nan 0.000 0.209 390 L C 0.559 177.429 176.870 -0.000 0.000 1.094 390 L CA 1.179 56.016 54.840 -0.004 0.000 0.763 390 L CB 0.258 42.376 42.059 0.098 0.000 0.908 390 L HN -0.229 7.888 8.230 0.119 0.184 0.437 391 L N -1.059 120.217 121.223 0.088 0.000 2.559 391 L HA -0.088 nan 4.340 nan 0.000 0.274 391 L C -1.523 175.449 176.870 0.169 0.000 1.205 391 L CA -0.522 54.417 54.840 0.165 0.000 0.907 391 L CB -1.152 41.147 42.059 0.400 0.000 1.153 391 L HN -0.250 7.909 8.230 0.138 0.154 0.490 392 P HA 0.023 nan 4.420 nan 0.000 0.279 392 P C -1.516 175.792 177.300 0.013 0.000 1.276 392 P CA -0.886 62.318 63.100 0.173 0.000 0.801 392 P CB 0.605 32.199 31.700 -0.177 0.000 1.127 393 D N -2.131 118.291 120.400 0.037 0.000 2.346 393 D HA -0.046 nan 4.640 nan 0.000 0.206 393 D C -0.978 175.244 176.300 -0.129 0.000 1.001 393 D CA 1.708 55.750 54.000 0.070 0.000 0.871 393 D CB 1.052 41.898 40.800 0.077 0.000 0.943 393 D HN 0.326 8.720 8.370 0.039 0.000 0.518 394 T N -6.047 108.269 114.554 -0.395 0.000 2.921 394 T HA 0.377 nan 4.350 nan 0.000 0.297 394 T C -0.909 173.399 174.700 -0.654 0.000 1.013 394 T CA -2.071 59.777 62.100 -0.420 0.000 0.990 394 T CB 2.292 71.034 68.868 -0.211 0.000 1.023 394 T HN -0.784 7.183 8.240 -0.401 0.032 0.447 395 F N 3.855 123.666 119.950 -0.231 0.000 2.406 395 F HA 0.061 nan 4.527 nan 0.000 0.358 395 F C -0.919 174.781 175.800 -0.167 0.000 1.161 395 F CA -1.494 56.248 58.000 -0.430 0.000 1.185 395 F CB -0.117 38.168 39.000 -1.192 0.000 1.421 395 F HN 0.800 8.841 8.300 -0.263 0.101 0.576 396 N N 4.819 123.502 118.700 -0.030 0.000 2.602 396 N HA 0.005 nan 4.740 nan 0.000 0.238 396 N C -0.954 174.566 175.510 0.017 0.000 1.084 396 N CA -0.694 52.352 53.050 -0.007 0.000 0.952 396 N CB 0.260 38.696 38.487 -0.085 0.000 1.244 396 N HN -0.142 8.321 8.380 -0.094 -0.139 0.512 397 I N 5.251 125.832 120.570 0.018 0.000 2.260 397 I HA -0.082 nan 4.170 nan 0.000 0.297 397 I C -0.736 175.233 176.117 -0.246 0.000 1.143 397 I CA -1.299 59.872 61.300 -0.215 0.000 1.271 397 I CB -0.179 37.554 38.000 -0.446 0.000 1.461 397 I HN -0.314 8.000 8.210 0.173 0.000 0.530 398 E N 9.612 129.710 120.200 -0.169 0.000 2.768 398 E HA -0.461 nan 4.350 nan 0.000 0.345 398 E C -0.196 176.320 176.600 -0.141 0.000 0.688 398 E CA 1.375 57.696 56.400 -0.131 0.000 1.238 398 E CB -0.444 29.190 29.700 -0.110 0.000 0.667 398 E HN 0.077 8.335 8.360 -0.132 0.023 0.455 399 D N 1.513 121.856 120.400 -0.096 0.000 3.082 399 D HA -0.418 nan 4.640 nan 0.000 0.216 399 D C -2.097 174.162 176.300 -0.068 0.000 1.114 399 D CA 1.351 55.309 54.000 -0.069 0.000 0.886 399 D CB -0.058 40.713 40.800 -0.047 0.000 1.096 399 D HN 0.622 8.940 8.370 -0.087 0.000 0.431 400 Q N -4.574 115.166 119.800 -0.101 0.000 2.852 400 Q HA 0.046 nan 4.340 nan 0.000 0.250 400 Q C -2.616 173.264 176.000 -0.199 0.000 0.988 400 Q CA 0.159 55.863 55.803 -0.165 0.000 0.905 400 Q CB 2.509 31.154 28.738 -0.155 0.000 1.896 400 Q HN -0.493 7.678 8.270 -0.104 0.037 0.464 401 E N 1.287 121.302 120.200 -0.309 0.000 2.263 401 E HA 0.309 nan 4.350 nan 0.000 0.268 401 E C -1.406 175.019 176.600 -0.293 0.000 0.884 401 E CA -1.183 55.095 56.400 -0.203 0.000 0.766 401 E CB 2.559 32.176 29.700 -0.138 0.000 1.196 401 E HN 0.170 8.314 8.360 -0.360 0.000 0.416 402 Y N 2.464 122.808 120.300 0.074 0.000 2.457 402 Y HA 0.216 nan 4.550 nan 0.000 0.333 402 Y C -0.062 175.944 175.900 0.177 0.000 1.119 402 Y CA -1.284 56.917 58.100 0.168 0.000 1.143 402 Y CB 2.561 41.207 38.460 0.310 0.000 1.230 402 Y HN 0.844 9.163 8.280 0.264 0.120 0.469 403 S N 0.500 116.432 115.700 0.386 0.000 2.652 403 S HA 0.279 nan 4.470 nan 0.000 0.270 403 S C 0.933 175.854 174.600 0.533 0.000 1.243 403 S CA -1.041 57.380 58.200 0.368 0.000 0.999 403 S CB 1.818 65.189 63.200 0.285 0.000 0.973 403 S HN 0.308 9.189 8.310 0.399 -0.332 0.544 404 F N 2.719 122.900 119.950 0.384 0.000 2.065 404 F HA -0.486 nan 4.527 nan 0.000 0.298 404 F C 1.727 177.693 175.800 0.276 0.000 1.112 404 F CA 4.808 63.084 58.000 0.461 0.000 1.212 404 F CB -0.391 38.810 39.000 0.335 0.000 0.975 404 F HN 0.703 9.486 8.300 0.805 0.000 0.476 405 K N -2.979 117.665 120.400 0.407 0.000 2.189 405 K HA -0.379 nan 4.320 nan 0.000 0.207 405 K C 1.194 177.933 176.600 0.231 0.000 1.046 405 K CA 2.937 59.383 56.287 0.265 0.000 0.928 405 K CB -0.947 31.684 32.500 0.219 0.000 0.720 405 K HN 0.148 8.661 8.250 0.437 -0.001 0.458 406 Q N -3.301 116.670 119.800 0.286 0.000 2.259 406 Q HA -0.152 nan 4.340 nan 0.000 0.201 406 Q C 1.224 177.355 176.000 0.218 0.000 0.938 406 Q CA 1.779 57.749 55.803 0.278 0.000 0.872 406 Q CB 1.140 30.128 28.738 0.417 0.000 0.971 406 Q HN -0.467 7.841 8.270 0.351 0.172 0.494 407 F N -0.987 118.997 119.950 0.057 0.000 2.146 407 F HA -0.206 nan 4.527 nan 0.000 0.298 407 F C -0.658 175.002 175.800 -0.233 0.000 1.096 407 F CA 2.522 60.439 58.000 -0.137 0.000 1.275 407 F CB 1.509 40.355 39.000 -0.256 0.000 1.008 407 F HN -0.297 8.193 8.300 0.453 0.083 0.480 408 L N -1.529 119.564 121.223 -0.217 0.000 2.477 408 L HA -0.285 nan 4.340 nan 0.000 0.272 408 L C -0.876 175.631 176.870 -0.606 0.000 1.157 408 L CA 0.976 55.454 54.840 -0.603 0.000 0.889 408 L CB -0.714 40.835 42.059 -0.850 0.000 1.158 408 L HN -0.390 7.823 8.230 -0.028 0.000 0.473 409 Y N -2.401 117.866 120.300 -0.056 0.000 3.689 409 Y HA -0.455 nan 4.550 nan 0.000 0.221 409 Y C -1.179 174.685 175.900 -0.059 0.000 1.247 409 Y CA 0.110 58.203 58.100 -0.012 0.000 1.671 409 Y CB -3.140 35.351 38.460 0.052 0.000 1.521 409 Y HN -0.185 7.756 8.280 -0.407 0.095 0.632 410 N N 0.205 118.847 118.700 -0.097 0.000 2.426 410 N HA 0.091 nan 4.740 nan 0.000 0.275 410 N C -0.226 175.174 175.510 -0.184 0.000 1.019 410 N CA -0.918 52.053 53.050 -0.132 0.000 0.941 410 N CB 1.908 40.281 38.487 -0.190 0.000 1.123 410 N HN -0.861 7.374 8.380 -0.243 0.000 0.486 411 N N 5.160 123.750 118.700 -0.184 0.000 2.085 411 N HA -0.157 nan 4.740 nan 0.000 0.191 411 N C 1.873 177.253 175.510 -0.217 0.000 1.058 411 N CA 2.627 55.517 53.050 -0.266 0.000 0.849 411 N CB 0.172 38.482 38.487 -0.295 0.000 1.038 411 N HN 0.464 8.763 8.380 -0.135 0.000 0.434 412 S N 0.567 116.164 115.700 -0.172 0.000 2.440 412 S HA -0.204 nan 4.470 nan 0.000 0.238 412 S C 2.327 176.823 174.600 -0.173 0.000 1.010 412 S CA 2.707 60.816 58.200 -0.152 0.000 0.972 412 S CB -0.586 62.550 63.200 -0.107 0.000 0.774 412 S HN -0.065 8.192 8.310 -0.150 -0.037 0.501 413 I N 1.532 121.985 120.570 -0.194 0.000 2.069 413 I HA -0.526 nan 4.170 nan 0.000 0.237 413 I C 1.177 177.261 176.117 -0.056 0.000 1.053 413 I CA 3.708 64.874 61.300 -0.223 0.000 1.311 413 I CB -0.374 37.463 38.000 -0.272 0.000 1.030 413 I HN -0.798 7.468 8.210 -0.191 -0.170 0.398 414 L N -1.093 120.080 121.223 -0.085 0.000 1.994 414 L HA -0.309 nan 4.340 nan 0.000 0.208 414 L C 1.806 178.579 176.870 -0.161 0.000 1.071 414 L CA 3.449 58.149 54.840 -0.233 0.000 0.745 414 L CB -0.495 41.325 42.059 -0.397 0.000 0.892 414 L HN -0.640 7.494 8.230 -0.160 0.000 0.431 415 L N -3.296 117.798 121.223 -0.214 0.000 2.079 415 L HA -0.452 nan 4.340 nan 0.000 0.210 415 L C 2.349 179.155 176.870 -0.106 0.000 1.081 415 L CA 2.788 57.476 54.840 -0.252 0.000 0.752 415 L CB -0.566 41.336 42.059 -0.263 0.000 0.896 415 L HN -0.723 7.380 8.230 -0.211 0.000 0.433 416 E N -2.735 117.407 120.200 -0.096 0.000 2.016 416 E HA -0.166 nan 4.350 nan 0.000 0.190 416 E C 2.053 178.682 176.600 0.048 0.000 0.985 416 E CA 2.028 58.390 56.400 -0.062 0.000 0.802 416 E CB 0.030 29.642 29.700 -0.145 0.000 0.762 416 E HN 0.065 8.214 8.360 -0.132 0.132 0.448 417 H N -2.295 116.858 119.070 0.138 0.000 2.353 417 H HA -0.204 nan 4.556 nan 0.000 0.300 417 H C 0.490 175.915 175.328 0.162 0.000 1.090 417 H CA 1.130 57.288 56.048 0.182 0.000 1.327 417 H CB 0.986 30.924 29.762 0.294 0.000 1.383 417 H HN -0.250 7.989 8.280 -0.068 0.000 0.508 418 G N -3.209 105.749 108.800 0.264 0.000 2.662 418 G HA2 -0.270 nan 3.960 nan 0.000 0.686 418 G HA3 -0.270 nan 3.960 nan 0.000 0.686 418 G C -1.351 173.626 174.900 0.127 0.000 1.271 418 G CA -0.792 44.406 45.100 0.162 0.000 0.816 418 G HN -0.435 7.987 8.290 0.221 0.000 0.608 419 L N 0.247 121.485 121.223 0.025 0.000 2.005 419 L HA -0.146 nan 4.340 nan 0.000 0.207 419 L C 1.738 178.614 176.870 0.009 0.000 1.072 419 L CA 2.809 57.612 54.840 -0.061 0.000 0.744 419 L CB 0.256 42.244 42.059 -0.119 0.000 0.895 419 L HN 0.703 8.956 8.230 0.038 0.000 0.433 420 T N -4.160 110.398 114.554 0.006 0.000 2.737 420 T HA -0.440 nan 4.350 nan 0.000 0.269 420 T C 1.187 175.899 174.700 0.020 0.000 1.040 420 T CA 3.320 65.422 62.100 0.004 0.000 1.142 420 T CB -0.601 68.268 68.868 0.001 0.000 0.861 420 T HN 0.042 8.282 8.240 0.000 0.000 0.456 421 Q N 0.911 120.751 119.800 0.065 0.000 3.150 421 Q HA -0.018 nan 4.340 nan 0.000 0.297 421 Q C -1.404 174.637 176.000 0.069 0.000 1.382 421 Q CA -0.882 54.939 55.803 0.030 0.000 1.059 421 Q CB -1.842 26.916 28.738 0.034 0.000 1.559 421 Q HN 0.030 8.352 8.270 0.096 0.006 0.548 422 F N -1.052 118.723 119.950 -0.293 0.000 1.905 422 F HA -0.068 nan 4.527 nan 0.000 0.363 422 F C 0.366 175.812 175.800 -0.589 0.000 0.981 422 F CA 1.979 59.619 58.000 -0.601 0.000 1.118 422 F CB 1.890 40.617 39.000 -0.456 0.000 1.472 422 F HN -0.237 8.022 8.300 -0.050 0.012 0.473 423 V N 1.264 121.127 119.914 -0.086 0.000 2.295 423 V HA -0.515 nan 4.120 nan 0.000 0.246 423 V C 1.399 177.488 176.094 -0.009 0.000 1.049 423 V CA 5.474 67.752 62.300 -0.036 0.000 1.024 423 V CB -0.708 31.093 31.823 -0.037 0.000 0.648 423 V HN 0.408 8.593 8.190 -0.008 0.000 0.447 424 E N -0.842 119.341 120.200 -0.028 0.000 2.028 424 E HA -0.418 nan 4.350 nan 0.000 0.191 424 E C 2.465 179.069 176.600 0.006 0.000 0.988 424 E CA 3.445 59.849 56.400 0.007 0.000 0.799 424 E CB -0.306 29.395 29.700 0.002 0.000 0.755 424 E HN 0.148 8.484 8.360 -0.041 0.000 0.447 425 S N 0.479 116.125 115.700 -0.090 0.000 2.365 425 S HA -0.263 nan 4.470 nan 0.000 0.225 425 S C 2.381 177.096 174.600 0.191 0.000 1.039 425 S CA 3.726 61.895 58.200 -0.050 0.000 1.033 425 S CB -0.174 62.881 63.200 -0.242 0.000 0.887 425 S HN -0.508 7.869 8.310 -0.167 -0.168 0.447 426 F N 0.229 120.189 119.950 0.017 0.000 2.293 426 F HA -0.069 nan 4.527 nan 0.000 0.300 426 F C 1.951 177.800 175.800 0.081 0.000 1.086 426 F CA 0.370 58.416 58.000 0.077 0.000 1.375 426 F CB -1.201 37.895 39.000 0.159 0.000 1.045 426 F HN 0.286 8.451 8.300 -0.040 0.111 0.516 427 T N 0.801 115.498 114.554 0.238 0.000 2.833 427 T HA -0.258 nan 4.350 nan 0.000 0.269 427 T C 0.862 175.657 174.700 0.158 0.000 1.054 427 T CA 3.867 66.067 62.100 0.166 0.000 1.135 427 T CB -0.228 68.731 68.868 0.151 0.000 0.869 427 T HN -0.122 8.149 8.240 0.196 0.087 0.466 428 R N 1.948 122.530 120.500 0.136 0.000 2.423 428 R HA 0.244 nan 4.340 nan 0.000 0.293 428 R C -2.465 173.874 176.300 0.065 0.000 1.196 428 R CA -1.065 55.086 56.100 0.085 0.000 1.262 428 R CB -0.026 30.309 30.300 0.058 0.000 1.116 428 R HN -0.645 7.692 8.270 0.144 0.019 0.566 429 Q N 1.812 121.642 119.800 0.050 0.000 2.869 429 Q HA 0.039 nan 4.340 nan 0.000 0.213 429 Q C -2.068 173.927 176.000 -0.009 0.000 0.762 429 Q CA 0.048 55.852 55.803 0.003 0.000 1.065 429 Q CB 2.255 31.008 28.738 0.024 0.000 1.594 429 Q HN -0.463 7.844 8.270 0.061 0.000 0.503 430 I N 4.156 124.711 120.570 -0.024 0.000 2.710 430 I HA -0.064 nan 4.170 nan 0.000 0.286 430 I C -0.689 175.506 176.117 0.131 0.000 1.181 430 I CA 0.179 61.496 61.300 0.028 0.000 1.430 430 I CB -0.157 37.871 38.000 0.047 0.000 1.367 430 I HN -0.124 8.053 8.210 -0.055 0.000 0.577 431 A N 7.232 130.115 122.820 0.104 0.000 2.294 431 A HA 0.556 nan 4.320 nan 0.000 0.330 431 A C -0.677 176.913 177.584 0.009 0.000 1.133 431 A CA -1.884 50.218 52.037 0.108 0.000 0.836 431 A CB 2.765 21.742 19.000 -0.037 0.000 1.190 431 A HN 0.521 8.680 8.150 0.016 0.000 0.492 432 G N -1.078 107.582 108.800 -0.232 0.000 2.630 432 G HA2 -0.135 nan 3.960 nan 0.000 0.236 432 G HA3 -0.135 nan 3.960 nan 0.000 0.236 432 G C -1.275 173.414 174.900 -0.351 0.000 1.248 432 G CA -0.144 44.617 45.100 -0.565 0.000 0.844 432 G HN 0.064 8.177 8.290 -0.142 0.091 0.588 433 R N 1.341 121.628 120.500 -0.355 0.000 2.539 433 R HA 0.034 nan 4.340 nan 0.000 0.275 433 R C 0.036 176.168 176.300 -0.280 0.000 1.077 433 R CA 0.451 56.368 56.100 -0.306 0.000 1.097 433 R CB 0.784 30.928 30.300 -0.260 0.000 1.018 433 R HN -0.307 7.611 8.270 -0.417 0.101 0.483 434 V N 3.651 123.393 119.914 -0.287 0.000 2.326 434 V HA 0.026 nan 4.120 nan 0.000 0.237 434 V C 0.581 176.582 176.094 -0.155 0.000 1.044 434 V CA 2.963 65.135 62.300 -0.213 0.000 1.035 434 V CB 0.632 32.313 31.823 -0.238 0.000 0.675 434 V HN -0.069 7.904 8.190 -0.361 0.000 0.470 435 A N -1.137 121.609 122.820 -0.124 0.000 3.157 435 A HA 0.296 nan 4.320 nan 0.000 0.276 435 A C -0.599 176.917 177.584 -0.113 0.000 1.524 435 A CA -0.496 51.482 52.037 -0.099 0.000 1.236 435 A CB -1.432 17.546 19.000 -0.036 0.000 1.173 435 A HN -0.024 7.938 8.150 -0.132 0.109 0.595 436 G N -0.259 108.465 108.800 -0.127 0.000 2.865 436 G HA2 0.111 nan 3.960 nan 0.000 0.204 436 G HA3 0.111 nan 3.960 nan 0.000 0.204 436 G C -1.049 173.790 174.900 -0.101 0.000 1.140 436 G CA -0.146 44.883 45.100 -0.118 0.000 0.842 436 G HN -0.499 7.655 8.290 -0.135 0.056 0.631 437 G N -0.918 107.820 108.800 -0.102 0.000 2.318 437 G HA2 -0.146 nan 3.960 nan 0.000 0.302 437 G HA3 -0.146 nan 3.960 nan 0.000 0.302 437 G C -0.971 173.881 174.900 -0.080 0.000 1.633 437 G CA -0.037 45.012 45.100 -0.085 0.000 0.965 437 G HN -0.832 7.389 8.290 -0.115 0.000 0.698 438 R N -1.521 118.941 120.500 -0.064 0.000 3.225 438 R HA -0.602 nan 4.340 nan 0.000 0.245 438 R C -1.412 174.846 176.300 -0.071 0.000 0.928 438 R CA 0.807 56.874 56.100 -0.055 0.000 0.632 438 R CB -1.993 28.279 30.300 -0.046 0.000 1.038 438 R HN 0.174 8.409 8.270 -0.058 0.000 0.461 439 N N -3.037 115.613 118.700 -0.084 0.000 2.365 439 N HA 0.147 nan 4.740 nan 0.000 0.257 439 N C -0.466 174.996 175.510 -0.081 0.000 1.287 439 N CA -0.771 52.208 53.050 -0.117 0.000 0.882 439 N CB 1.077 39.450 38.487 -0.190 0.000 1.250 439 N HN -0.398 7.937 8.380 -0.075 0.000 0.507 440 V N 2.928 122.823 119.914 -0.031 0.000 2.432 440 V HA 0.233 nan 4.120 nan 0.000 0.271 440 V C -1.871 174.215 176.094 -0.013 0.000 1.046 440 V CA -2.782 59.527 62.300 0.014 0.000 0.945 440 V CB 0.030 31.881 31.823 0.047 0.000 0.992 440 V HN -0.478 7.726 8.190 -0.031 -0.033 0.471 441 P HA -0.108 nan 4.420 nan 0.000 0.258 441 P C -0.359 176.850 177.300 -0.152 0.000 1.172 441 P CA 0.889 63.937 63.100 -0.086 0.000 0.762 441 P CB 0.256 31.900 31.700 -0.094 0.000 0.764 442 I N 2.849 123.334 120.570 -0.141 0.000 2.761 442 I HA -0.490 nan 4.170 nan 0.000 0.266 442 I C 1.371 177.386 176.117 -0.171 0.000 1.239 442 I CA 3.093 64.320 61.300 -0.121 0.000 1.451 442 I CB -0.573 37.378 38.000 -0.081 0.000 1.096 442 I HN 0.656 8.797 8.210 -0.114 0.000 0.465 443 A N 0.126 122.756 122.820 -0.317 0.000 1.843 443 A HA -0.126 nan 4.320 nan 0.000 0.213 443 A C 1.357 178.809 177.584 -0.221 0.000 1.202 443 A CA 2.546 54.376 52.037 -0.345 0.000 0.607 443 A CB -0.450 18.085 19.000 -0.775 0.000 0.847 443 A HN -0.129 7.701 8.150 -0.418 0.069 0.445 444 V N -0.877 118.892 119.914 -0.242 0.000 3.593 444 V HA -0.191 nan 4.120 nan 0.000 0.275 444 V C 0.864 176.880 176.094 -0.130 0.000 1.237 444 V CA 0.681 62.892 62.300 -0.149 0.000 1.194 444 V CB -2.632 29.142 31.823 -0.081 0.000 0.949 444 V HN -0.223 7.749 8.190 -0.365 0.000 0.467 445 Q N 1.289 121.030 119.800 -0.098 0.000 2.167 445 Q HA -0.339 nan 4.340 nan 0.000 0.202 445 Q C 1.599 177.571 176.000 -0.047 0.000 0.970 445 Q CA 2.991 58.763 55.803 -0.053 0.000 0.855 445 Q CB -0.833 27.878 28.738 -0.046 0.000 0.911 445 Q HN -0.428 7.550 8.270 -0.117 0.221 0.438 446 A N -0.360 122.423 122.820 -0.061 0.000 1.908 446 A HA -0.273 nan 4.320 nan 0.000 0.218 446 A C 1.907 179.449 177.584 -0.070 0.000 1.181 446 A CA 3.199 55.205 52.037 -0.052 0.000 0.627 446 A CB -0.987 17.987 19.000 -0.043 0.000 0.818 446 A HN -0.438 7.654 8.150 -0.070 0.016 0.445 447 V N -0.236 119.606 119.914 -0.119 0.000 2.261 447 V HA -0.369 nan 4.120 nan 0.000 0.246 447 V C 2.503 178.534 176.094 -0.105 0.000 1.047 447 V CA 3.538 65.736 62.300 -0.171 0.000 1.015 447 V CB -0.940 30.635 31.823 -0.413 0.000 0.642 447 V HN -0.657 7.363 8.190 -0.134 0.089 0.446 448 A N -1.578 121.210 122.820 -0.053 0.000 1.978 448 A HA -0.381 nan 4.320 nan 0.000 0.220 448 A C 1.692 179.317 177.584 0.068 0.000 1.170 448 A CA 3.225 55.331 52.037 0.116 0.000 0.636 448 A CB -0.822 18.274 19.000 0.159 0.000 0.810 448 A HN -0.068 8.018 8.150 -0.107 0.000 0.448 449 K N -1.147 119.259 120.400 0.009 0.000 1.967 449 K HA -0.327 nan 4.320 nan 0.000 0.212 449 K C 1.880 178.449 176.600 -0.051 0.000 1.044 449 K CA 2.721 59.006 56.287 -0.002 0.000 0.942 449 K CB -0.006 32.486 32.500 -0.013 0.000 0.726 449 K HN -0.113 7.920 8.250 -0.010 0.210 0.440 450 A N -1.142 121.639 122.820 -0.066 0.000 1.893 450 A HA -0.465 nan 4.320 nan 0.000 0.222 450 A C 2.156 179.653 177.584 -0.145 0.000 1.309 450 A CA 3.123 55.111 52.037 -0.082 0.000 0.681 450 A CB -0.960 17.997 19.000 -0.071 0.000 0.842 450 A HN -0.074 8.042 8.150 -0.056 0.000 0.468 451 S N -1.279 114.290 115.700 -0.218 0.000 2.390 451 S HA -0.498 nan 4.470 nan 0.000 0.234 451 S C 2.185 176.446 174.600 -0.565 0.000 1.063 451 S CA 4.271 62.169 58.200 -0.503 0.000 1.108 451 S CB -0.516 62.112 63.200 -0.953 0.000 0.975 451 S HN -0.130 8.088 8.310 -0.153 0.000 0.442 452 I N 0.188 120.536 120.570 -0.370 0.000 2.090 452 I HA -0.501 nan 4.170 nan 0.000 0.236 452 I C 1.221 177.271 176.117 -0.111 0.000 1.064 452 I CA 3.483 64.707 61.300 -0.126 0.000 1.324 452 I CB -0.290 37.749 38.000 0.064 0.000 1.044 452 I HN -0.082 7.870 8.210 -0.279 0.090 0.399 453 D N -2.910 117.442 120.400 -0.079 0.000 2.363 453 D HA -0.252 nan 4.640 nan 0.000 0.220 453 D C 2.497 178.757 176.300 -0.066 0.000 0.994 453 D CA 2.303 56.271 54.000 -0.054 0.000 0.890 453 D CB -0.697 40.087 40.800 -0.027 0.000 0.906 453 D HN -0.497 7.829 8.370 -0.074 0.000 0.530 454 Q N 0.817 120.551 119.800 -0.109 0.000 2.134 454 Q HA -0.091 nan 4.340 nan 0.000 0.195 454 Q C 2.025 177.940 176.000 -0.141 0.000 0.958 454 Q CA 2.951 58.702 55.803 -0.087 0.000 0.840 454 Q CB 0.613 29.302 28.738 -0.081 0.000 0.918 454 Q HN 0.395 8.402 8.270 -0.152 0.172 0.467 455 S N 0.604 116.121 115.700 -0.304 0.000 2.500 455 S HA -0.307 nan 4.470 nan 0.000 0.239 455 S C 1.733 176.142 174.600 -0.318 0.000 0.989 455 S CA 4.028 61.879 58.200 -0.581 0.000 0.951 455 S CB -0.495 62.131 63.200 -0.956 0.000 0.759 455 S HN 0.029 8.144 8.310 -0.326 0.000 0.523 456 R N -0.024 120.391 120.500 -0.140 0.000 2.100 456 R HA -0.137 nan 4.340 nan 0.000 0.220 456 R C 2.544 178.856 176.300 0.020 0.000 1.091 456 R CA 2.926 59.012 56.100 -0.024 0.000 0.986 456 R CB -0.223 30.070 30.300 -0.012 0.000 0.888 456 R HN -0.572 7.533 8.270 -0.148 0.077 0.444 457 E N 1.567 121.771 120.200 0.007 0.000 2.038 457 E HA -0.288 nan 4.350 nan 0.000 0.195 457 E C 1.628 178.265 176.600 0.063 0.000 1.000 457 E CA 2.550 58.971 56.400 0.037 0.000 0.803 457 E CB -0.126 29.596 29.700 0.037 0.000 0.750 457 E HN -0.703 7.544 8.360 -0.024 0.099 0.448 458 M N -4.070 115.579 119.600 0.082 0.000 2.763 458 M HA -0.181 nan 4.480 nan 0.000 0.244 458 M C -1.302 175.106 176.300 0.180 0.000 1.065 458 M CA 0.608 55.991 55.300 0.138 0.000 1.070 458 M CB -0.049 32.701 32.600 0.250 0.000 1.494 458 M HN -0.377 7.942 8.290 0.048 0.000 0.546 459 K N -4.604 115.885 120.400 0.149 0.000 3.278 459 K HA -0.514 nan 4.320 nan 0.000 0.270 459 K C -0.268 176.458 176.600 0.211 0.000 0.955 459 K CA 1.007 57.375 56.287 0.135 0.000 0.723 459 K CB -2.803 29.732 32.500 0.058 0.000 1.382 459 K HN -0.486 7.599 8.250 0.109 0.231 0.461 460 Y N -0.920 119.401 120.300 0.035 0.000 2.258 460 Y HA -0.236 nan 4.550 nan 0.000 0.345 460 Y C 0.102 176.079 175.900 0.128 0.000 1.303 460 Y CA 0.403 58.554 58.100 0.084 0.000 1.537 460 Y CB 0.618 39.100 38.460 0.037 0.000 1.383 460 Y HN -0.561 7.958 8.280 0.399 0.000 0.606 461 Q N -1.231 118.825 119.800 0.427 0.000 2.195 461 Q HA 0.252 nan 4.340 nan 0.000 0.250 461 Q C -0.916 175.293 176.000 0.348 0.000 0.988 461 Q CA -1.932 54.064 55.803 0.322 0.000 0.911 461 Q CB 2.736 31.590 28.738 0.193 0.000 1.258 461 Q HN 0.073 8.696 8.270 0.590 0.000 0.475 462 S N -0.982 114.848 115.700 0.217 0.000 2.563 462 S HA -0.137 nan 4.470 nan 0.000 0.284 462 S C 1.537 176.262 174.600 0.208 0.000 1.331 462 S CA 0.018 58.317 58.200 0.165 0.000 1.047 462 S CB 0.980 64.234 63.200 0.090 0.000 0.859 462 S HN 0.299 8.700 8.310 0.151 0.000 0.514 463 L N 4.997 126.283 121.223 0.105 0.000 2.129 463 L HA -0.363 nan 4.340 nan 0.000 0.212 463 L C 0.969 177.878 176.870 0.066 0.000 1.087 463 L CA 2.935 57.816 54.840 0.068 0.000 0.757 463 L CB 0.099 42.145 42.059 -0.023 0.000 0.896 463 L HN 0.846 9.014 8.230 0.059 0.098 0.434 464 N N -2.018 116.698 118.700 0.026 0.000 2.333 464 N HA -0.197 nan 4.740 nan 0.000 0.178 464 N C 1.921 177.431 175.510 -0.001 0.000 1.018 464 N CA 3.358 56.393 53.050 -0.025 0.000 0.882 464 N CB -0.147 38.307 38.487 -0.054 0.000 0.984 464 N HN -0.249 8.118 8.380 0.026 0.029 0.434 465 E N 1.588 121.803 120.200 0.026 0.000 2.110 465 E HA -0.312 nan 4.350 nan 0.000 0.193 465 E C 2.334 178.886 176.600 -0.081 0.000 0.988 465 E CA 2.788 59.157 56.400 -0.050 0.000 0.804 465 E CB -0.487 29.163 29.700 -0.083 0.000 0.745 465 E HN -0.524 7.780 8.360 0.062 0.093 0.458 466 Y N -0.836 119.476 120.300 0.021 0.000 2.163 466 Y HA -0.369 nan 4.550 nan 0.000 0.288 466 Y C 2.380 178.345 175.900 0.109 0.000 1.136 466 Y CA 4.280 62.434 58.100 0.091 0.000 1.147 466 Y CB -0.259 38.237 38.460 0.061 0.000 0.987 466 Y HN -0.459 7.994 8.280 0.289 0.000 0.509 467 R N -1.368 119.216 120.500 0.140 0.000 2.091 467 R HA -0.472 nan 4.340 nan 0.000 0.238 467 R C 2.256 178.576 176.300 0.034 0.000 1.136 467 R CA 4.042 60.160 56.100 0.029 0.000 0.959 467 R CB -0.306 29.906 30.300 -0.147 0.000 0.856 467 R HN -0.388 7.880 8.270 0.124 0.076 0.437 468 K N -0.834 119.562 120.400 -0.007 0.000 2.025 468 K HA -0.328 nan 4.320 nan 0.000 0.207 468 K C 2.590 179.176 176.600 -0.024 0.000 1.049 468 K CA 3.464 59.732 56.287 -0.032 0.000 0.933 468 K CB -0.240 32.220 32.500 -0.067 0.000 0.714 468 K HN 0.267 8.398 8.250 -0.016 0.110 0.438 469 R N 0.535 121.012 120.500 -0.038 0.000 2.103 469 R HA -0.256 nan 4.340 nan 0.000 0.242 469 R C 2.021 178.196 176.300 -0.209 0.000 1.142 469 R CA 2.349 58.372 56.100 -0.127 0.000 0.960 469 R CB -0.225 29.980 30.300 -0.159 0.000 0.858 469 R HN 0.012 8.087 8.270 -0.033 0.174 0.439 470 F N -1.874 118.055 119.950 -0.034 0.000 2.974 470 F HA 0.087 nan 4.527 nan 0.000 0.292 470 F C -1.269 174.530 175.800 -0.001 0.000 1.209 470 F CA -0.265 57.715 58.000 -0.034 0.000 1.366 470 F CB -0.692 38.277 39.000 -0.052 0.000 1.033 470 F HN -0.233 8.160 8.300 0.312 0.095 0.516 471 S N -1.696 114.053 115.700 0.081 0.000 3.549 471 S HA -0.432 nan 4.470 nan 0.000 0.366 471 S C -0.892 173.768 174.600 0.099 0.000 1.012 471 S CA 1.244 59.510 58.200 0.110 0.000 1.141 471 S CB -1.690 61.621 63.200 0.185 0.000 0.910 471 S HN 0.066 8.292 8.310 0.014 0.093 0.471 472 L N -2.124 119.136 121.223 0.062 0.000 2.303 472 L HA 0.332 nan 4.340 nan 0.000 0.266 472 L C -1.726 175.122 176.870 -0.035 0.000 1.011 472 L CA -1.927 52.922 54.840 0.015 0.000 0.818 472 L CB 1.729 43.777 42.059 -0.019 0.000 1.326 472 L HN -0.213 7.956 8.230 0.057 0.096 0.435 473 K N 1.150 121.509 120.400 -0.068 0.000 2.211 473 K HA 0.395 nan 4.320 nan 0.000 0.275 473 K C -1.942 174.551 176.600 -0.179 0.000 1.024 473 K CA -3.714 52.525 56.287 -0.080 0.000 0.887 473 K CB 1.889 34.371 32.500 -0.029 0.000 1.084 473 K HN 0.425 8.637 8.250 -0.063 0.000 0.463 474 P HA -0.148 nan 4.420 nan 0.000 0.267 474 P C -1.647 175.577 177.300 -0.127 0.000 1.200 474 P CA 0.016 63.001 63.100 -0.192 0.000 0.772 474 P CB 0.468 32.109 31.700 -0.098 0.000 0.855 475 Y N -2.197 118.066 120.300 -0.063 0.000 2.397 475 Y HA -0.085 nan 4.550 nan 0.000 0.335 475 Y C 1.221 177.070 175.900 -0.085 0.000 1.213 475 Y CA -0.378 57.673 58.100 -0.080 0.000 1.391 475 Y CB 0.413 38.800 38.460 -0.121 0.000 1.293 475 Y HN 0.068 8.220 8.280 -0.213 0.000 0.557 476 T N -2.994 111.640 114.554 0.134 0.000 3.057 476 T HA 0.106 nan 4.350 nan 0.000 0.254 476 T C -0.250 174.460 174.700 0.017 0.000 1.094 476 T CA 0.222 62.352 62.100 0.050 0.000 1.088 476 T CB 0.504 69.399 68.868 0.046 0.000 0.934 476 T HN 0.157 8.761 8.240 0.174 -0.260 0.497 477 S N -1.784 113.905 115.700 -0.017 0.000 2.565 477 S HA 0.175 nan 4.470 nan 0.000 0.269 477 S C -0.106 174.437 174.600 -0.096 0.000 1.153 477 S CA -0.714 57.477 58.200 -0.015 0.000 0.835 477 S CB 2.163 65.382 63.200 0.032 0.000 1.122 477 S HN -0.786 7.478 8.310 -0.018 0.035 0.462 478 F N 1.943 121.861 119.950 -0.054 0.000 2.269 478 F HA -0.354 nan 4.527 nan 0.000 0.301 478 F C 1.349 177.068 175.800 -0.135 0.000 1.082 478 F CA 5.058 63.005 58.000 -0.090 0.000 1.360 478 F CB -0.320 38.648 39.000 -0.054 0.000 1.041 478 F HN 0.696 9.225 8.300 0.380 0.000 0.512 479 E N -1.251 118.989 120.200 0.066 0.000 2.106 479 E HA -0.303 nan 4.350 nan 0.000 0.192 479 E C 2.500 179.023 176.600 -0.128 0.000 0.984 479 E CA 3.898 60.287 56.400 -0.018 0.000 0.806 479 E CB -0.896 28.808 29.700 0.007 0.000 0.750 479 E HN 0.599 9.000 8.360 0.122 0.031 0.458 480 E N -0.969 119.118 120.200 -0.188 0.000 2.077 480 E HA -0.294 nan 4.350 nan 0.000 0.193 480 E C 2.083 178.242 176.600 -0.736 0.000 0.989 480 E CA 2.839 59.033 56.400 -0.342 0.000 0.800 480 E CB -0.065 29.480 29.700 -0.259 0.000 0.746 480 E HN -0.503 7.643 8.360 -0.126 0.138 0.452 481 L N -2.336 118.414 121.223 -0.788 0.000 1.994 481 L HA -0.213 nan 4.340 nan 0.000 0.208 481 L C 1.695 178.309 176.870 -0.426 0.000 1.071 481 L CA 3.068 57.404 54.840 -0.840 0.000 0.745 481 L CB 0.414 42.225 42.059 -0.413 0.000 0.892 481 L HN -0.285 7.553 8.230 -0.515 0.083 0.431 482 T N -5.890 108.521 114.554 -0.240 0.000 3.014 482 T HA 0.019 nan 4.350 nan 0.000 0.263 482 T C 1.727 176.353 174.700 -0.123 0.000 1.078 482 T CA 1.901 63.916 62.100 -0.142 0.000 1.135 482 T CB 0.232 69.057 68.868 -0.073 0.000 0.895 482 T HN 0.124 8.243 8.240 -0.203 0.000 0.480 483 G N 2.473 111.196 108.800 -0.128 0.000 2.155 483 G HA2 -0.347 nan 3.960 nan 0.000 0.257 483 G HA3 -0.347 nan 3.960 nan 0.000 0.257 483 G C -1.386 173.475 174.900 -0.065 0.000 0.983 483 G CA 0.264 45.308 45.100 -0.092 0.000 0.676 483 G HN 0.455 8.652 8.290 -0.156 0.000 0.528 484 E N -2.955 117.210 120.200 -0.058 0.000 2.449 484 E HA 0.305 nan 4.350 nan 0.000 0.278 484 E C -1.405 175.174 176.600 -0.034 0.000 0.992 484 E CA -2.034 54.340 56.400 -0.043 0.000 0.807 484 E CB 1.806 31.479 29.700 -0.045 0.000 1.350 484 E HN -0.769 7.499 8.360 -0.064 0.054 0.462 485 K N -1.972 118.411 120.400 -0.028 0.000 2.313 485 K HA 0.023 nan 4.320 nan 0.000 0.197 485 K C 1.508 178.094 176.600 -0.024 0.000 1.061 485 K CA 1.131 57.405 56.287 -0.021 0.000 0.980 485 K CB 0.164 32.653 32.500 -0.019 0.000 0.888 485 K HN 0.401 8.634 8.250 -0.029 0.000 0.502 486 E N 0.214 120.397 120.200 -0.027 0.000 2.007 486 E HA -0.312 nan 4.350 nan 0.000 0.203 486 E C 2.342 178.922 176.600 -0.033 0.000 1.020 486 E CA 3.211 59.594 56.400 -0.030 0.000 0.845 486 E CB -0.287 29.395 29.700 -0.029 0.000 0.779 486 E HN 0.046 8.389 8.360 -0.028 0.000 0.466 487 M N -0.767 118.814 119.600 -0.031 0.000 2.080 487 M HA -0.420 nan 4.480 nan 0.000 0.260 487 M C 1.982 178.265 176.300 -0.028 0.000 1.068 487 M CA 3.339 58.622 55.300 -0.028 0.000 1.109 487 M CB -0.007 32.578 32.600 -0.024 0.000 1.342 487 M HN -0.398 8.289 8.290 -0.031 -0.415 0.405 488 A N -1.063 121.752 122.820 -0.009 0.000 1.881 488 A HA -0.490 nan 4.320 nan 0.000 0.219 488 A C 1.705 179.246 177.584 -0.071 0.000 1.215 488 A CA 3.333 55.388 52.037 0.030 0.000 0.648 488 A CB -1.183 17.841 19.000 0.041 0.000 0.832 488 A HN 0.357 8.855 8.150 -0.012 -0.355 0.455 489 A N -2.940 119.838 122.820 -0.070 0.000 1.933 489 A HA -0.295 nan 4.320 nan 0.000 0.218 489 A C 2.290 179.786 177.584 -0.147 0.000 1.175 489 A CA 2.828 54.801 52.037 -0.106 0.000 0.628 489 A CB -0.779 18.184 19.000 -0.061 0.000 0.814 489 A HN -0.210 7.915 8.150 -0.042 0.000 0.444 490 E N -0.489 119.646 120.200 -0.110 0.000 2.077 490 E HA -0.253 nan 4.350 nan 0.000 0.193 490 E C 2.393 178.913 176.600 -0.133 0.000 0.989 490 E CA 2.213 58.556 56.400 -0.095 0.000 0.800 490 E CB -0.387 29.281 29.700 -0.053 0.000 0.746 490 E HN -0.639 7.580 8.360 -0.081 0.092 0.452 491 L N -0.422 120.694 121.223 -0.178 0.000 2.044 491 L HA -0.338 nan 4.340 nan 0.000 0.205 491 L C 1.878 178.316 176.870 -0.721 0.000 1.075 491 L CA 2.857 57.568 54.840 -0.215 0.000 0.747 491 L CB -0.106 41.919 42.059 -0.057 0.000 0.903 491 L HN 0.497 8.533 8.230 -0.148 0.105 0.435 492 K N -0.716 118.968 120.400 -1.193 0.000 2.160 492 K HA -0.416 nan 4.320 nan 0.000 0.206 492 K C 2.431 178.735 176.600 -0.493 0.000 1.047 492 K CA 3.415 58.936 56.287 -1.276 0.000 0.930 492 K CB -0.151 32.005 32.500 -0.573 0.000 0.720 492 K HN 0.507 8.159 8.250 -0.813 0.111 0.450 493 A N -0.890 121.739 122.820 -0.319 0.000 1.855 493 A HA -0.220 nan 4.320 nan 0.000 0.215 493 A C 2.109 179.612 177.584 -0.135 0.000 1.191 493 A CA 2.934 54.872 52.037 -0.165 0.000 0.613 493 A CB -0.953 17.974 19.000 -0.120 0.000 0.829 493 A HN -0.275 7.561 8.150 -0.330 0.116 0.442 494 L N -2.156 118.984 121.223 -0.138 0.000 1.973 494 L HA -0.315 nan 4.340 nan 0.000 0.208 494 L C 2.578 179.368 176.870 -0.134 0.000 1.073 494 L CA 2.946 57.710 54.840 -0.126 0.000 0.746 494 L CB 0.050 42.048 42.059 -0.102 0.000 0.891 494 L HN -0.855 7.189 8.230 -0.161 0.090 0.433 495 Y N -4.199 116.065 120.300 -0.059 0.000 2.439 495 Y HA -0.365 nan 4.550 nan 0.000 0.292 495 Y C 0.970 176.971 175.900 0.168 0.000 1.130 495 Y CA 3.172 61.356 58.100 0.139 0.000 1.254 495 Y CB -0.041 38.696 38.460 0.463 0.000 1.000 495 Y HN 0.403 8.697 8.280 0.191 0.100 0.554 496 S N -3.217 112.593 115.700 0.183 0.000 4.130 496 S HA -0.509 nan 4.470 nan 0.000 0.326 496 S C -0.574 174.245 174.600 0.365 0.000 1.851 496 S CA 2.647 60.952 58.200 0.175 0.000 4.216 496 S CB -0.828 62.438 63.200 0.111 0.000 0.301 496 S HN -0.070 8.102 8.310 -0.010 0.132 0.455 497 D N 1.963 122.567 120.400 0.341 0.000 2.256 497 D HA 0.151 nan 4.640 nan 0.000 0.250 497 D C 1.222 177.661 176.300 0.232 0.000 1.093 497 D CA -0.735 53.424 54.000 0.265 0.000 0.882 497 D CB 1.100 41.990 40.800 0.150 0.000 1.185 497 D HN -0.299 8.207 8.370 0.294 0.040 0.437 498 I N 4.798 125.357 120.570 -0.019 0.000 2.315 498 I HA -0.225 nan 4.170 nan 0.000 0.248 498 I C 0.348 176.323 176.117 -0.236 0.000 1.117 498 I CA 1.789 62.796 61.300 -0.488 0.000 1.404 498 I CB 0.571 38.358 38.000 -0.355 0.000 1.071 498 I HN 0.461 8.709 8.210 0.063 0.000 0.419 499 D N -0.715 119.644 120.400 -0.068 0.000 2.379 499 D HA -0.098 nan 4.640 nan 0.000 0.243 499 D C 0.967 177.285 176.300 0.031 0.000 1.088 499 D CA 2.628 56.616 54.000 -0.020 0.000 0.925 499 D CB -0.784 40.017 40.800 0.002 0.000 0.888 499 D HN -0.194 8.430 8.370 -0.033 -0.274 0.529 500 V N -2.768 117.189 119.914 0.071 0.000 3.330 500 V HA 0.110 nan 4.120 nan 0.000 0.309 500 V C -0.523 175.710 176.094 0.231 0.000 1.481 500 V CA -1.618 60.792 62.300 0.184 0.000 1.068 500 V CB 0.228 32.206 31.823 0.260 0.000 0.935 500 V HN -0.614 7.405 8.190 0.040 0.194 0.453 501 M N 2.415 121.992 119.600 -0.038 0.000 2.248 501 M HA -0.005 nan 4.480 nan 0.000 0.337 501 M C -0.740 175.481 176.300 -0.132 0.000 1.121 501 M CA -0.406 54.687 55.300 -0.344 0.000 1.155 501 M CB 1.864 34.188 32.600 -0.460 0.000 1.514 501 M HN -0.170 7.891 8.290 -0.102 0.168 0.452 502 E N 3.133 123.244 120.200 -0.147 0.000 2.319 502 E HA 0.151 nan 4.350 nan 0.000 0.268 502 E C 0.395 176.975 176.600 -0.034 0.000 1.050 502 E CA -0.179 56.230 56.400 0.015 0.000 0.878 502 E CB 1.050 30.824 29.700 0.123 0.000 1.066 502 E HN -0.122 7.997 8.360 -0.402 0.000 0.406 503 L N 3.868 125.077 121.223 -0.023 0.000 1.989 503 L HA -0.348 nan 4.340 nan 0.000 0.211 503 L C 0.680 177.503 176.870 -0.079 0.000 1.071 503 L CA 3.926 58.707 54.840 -0.098 0.000 0.749 503 L CB 0.113 42.025 42.059 -0.244 0.000 0.890 503 L HN 0.605 8.844 8.230 0.016 0.000 0.431 504 Y N -2.028 118.176 120.300 -0.161 0.000 2.049 504 Y HA -0.340 nan 4.550 nan 0.000 0.277 504 Y C -1.131 174.720 175.900 -0.083 0.000 1.143 504 Y CA 4.933 62.947 58.100 -0.144 0.000 1.115 504 Y CB -2.362 35.994 38.460 -0.173 0.000 0.975 504 Y HN 0.141 8.448 8.280 0.046 0.000 0.487 505 P HA -0.302 nan 4.420 nan 0.000 0.215 505 P C 0.913 178.080 177.300 -0.223 0.000 1.157 505 P CA 2.894 65.860 63.100 -0.224 0.000 0.863 505 P CB -0.642 31.057 31.700 -0.002 0.000 0.787 506 A N -4.025 118.695 122.820 -0.166 0.000 2.084 506 A HA -0.222 nan 4.320 nan 0.000 0.221 506 A C 1.118 178.625 177.584 -0.128 0.000 1.161 506 A CA 2.559 54.517 52.037 -0.133 0.000 0.653 506 A CB -0.757 18.177 19.000 -0.110 0.000 0.802 506 A HN -0.514 7.549 8.150 -0.146 0.000 0.457 507 L N -3.566 117.541 121.223 -0.193 0.000 2.072 507 L HA -0.190 nan 4.340 nan 0.000 0.205 507 L C 1.176 177.927 176.870 -0.197 0.000 1.079 507 L CA 2.316 57.039 54.840 -0.196 0.000 0.752 507 L CB 0.337 42.250 42.059 -0.244 0.000 0.906 507 L HN -0.926 6.999 8.230 -0.240 0.161 0.436 508 L N -4.473 116.594 121.223 -0.259 0.000 2.307 508 L HA -0.004 nan 4.340 nan 0.000 0.211 508 L C 1.754 178.537 176.870 -0.145 0.000 1.099 508 L CA 1.730 56.449 54.840 -0.202 0.000 0.816 508 L CB 0.414 42.331 42.059 -0.237 0.000 0.952 508 L HN -0.694 7.236 8.230 -0.349 0.090 0.455 509 V N -2.069 117.763 119.914 -0.136 0.000 2.812 509 V HA 0.140 nan 4.120 nan 0.000 0.344 509 V C -1.960 174.077 176.094 -0.095 0.000 1.244 509 V CA -1.683 60.557 62.300 -0.099 0.000 1.447 509 V CB -1.335 30.444 31.823 -0.073 0.000 1.534 509 V HN -0.449 7.644 8.190 -0.163 0.000 0.590 510 E N 1.057 121.200 120.200 -0.094 0.000 2.277 510 E HA 0.233 nan 4.350 nan 0.000 0.266 510 E C -1.262 175.288 176.600 -0.083 0.000 0.901 510 E CA -2.035 54.316 56.400 -0.083 0.000 0.782 510 E CB 3.556 33.229 29.700 -0.045 0.000 1.228 510 E HN -0.753 7.489 8.360 -0.097 0.060 0.424 511 K N 4.571 124.913 120.400 -0.096 0.000 2.412 511 K HA 0.153 nan 4.320 nan 0.000 0.284 511 K C -2.048 174.514 176.600 -0.062 0.000 1.046 511 K CA -1.554 54.681 56.287 -0.087 0.000 0.999 511 K CB 0.155 32.592 32.500 -0.105 0.000 0.941 511 K HN 0.109 8.282 8.250 -0.128 0.000 0.474 512 P HA -0.017 nan 4.420 nan 0.000 0.276 512 P C -1.143 176.103 177.300 -0.089 0.000 1.235 512 P CA -0.354 62.694 63.100 -0.088 0.000 0.772 512 P CB 0.563 32.191 31.700 -0.121 0.000 0.871 513 R N 5.123 125.561 120.500 -0.103 0.000 2.679 513 R HA 0.031 nan 4.340 nan 0.000 0.268 513 R C -0.620 175.599 176.300 -0.136 0.000 1.044 513 R CA -0.191 55.828 56.100 -0.135 0.000 1.105 513 R CB -1.004 29.136 30.300 -0.268 0.000 0.989 513 R HN -0.154 8.059 8.270 -0.096 0.000 0.447 514 P HA -0.443 nan 4.420 nan 0.000 0.260 514 P C -0.045 177.198 177.300 -0.096 0.000 0.829 514 P CA 2.296 65.361 63.100 -0.059 0.000 1.087 514 P CB -0.024 31.663 31.700 -0.021 0.000 0.816 515 D N -1.505 118.829 120.400 -0.110 0.000 2.706 515 D HA 0.030 nan 4.640 nan 0.000 0.236 515 D C -0.943 175.236 176.300 -0.201 0.000 1.231 515 D CA -0.262 53.654 54.000 -0.141 0.000 0.828 515 D CB -0.590 40.134 40.800 -0.126 0.000 1.015 515 D HN 0.071 8.383 8.370 -0.097 0.000 0.484 516 A N -0.552 122.135 122.820 -0.221 0.000 2.304 516 A HA 0.269 nan 4.320 nan 0.000 0.271 516 A C -0.753 176.585 177.584 -0.410 0.000 1.091 516 A CA -1.006 50.845 52.037 -0.309 0.000 0.812 516 A CB 2.101 20.943 19.000 -0.263 0.000 1.056 516 A HN 0.273 8.210 8.150 -0.188 0.100 0.489 517 I N -1.341 118.824 120.570 -0.675 0.000 2.761 517 I HA -0.086 nan 4.170 nan 0.000 0.261 517 I C -2.019 173.641 176.117 -0.763 0.000 1.198 517 I CA 1.830 62.632 61.300 -0.830 0.000 1.482 517 I CB 0.788 38.096 38.000 -1.154 0.000 1.100 517 I HN 0.355 8.376 8.210 -0.764 -0.269 0.445 518 F N -6.895 112.875 119.950 -0.300 0.000 2.711 518 F HA 0.654 nan 4.527 nan 0.000 0.313 518 F C -1.217 174.469 175.800 -0.189 0.000 1.141 518 F CA -2.524 55.315 58.000 -0.270 0.000 0.941 518 F CB 1.317 40.112 39.000 -0.342 0.000 1.349 518 F HN -0.792 7.009 8.300 -0.782 0.031 0.464 519 G N -1.741 107.130 108.800 0.118 0.000 2.532 519 G HA2 0.258 nan 3.960 nan 0.000 0.291 519 G HA3 0.258 nan 3.960 nan 0.000 0.291 519 G C -0.984 173.961 174.900 0.076 0.000 1.349 519 G CA -1.770 43.363 45.100 0.055 0.000 1.038 519 G HN -0.040 8.308 8.290 0.096 0.000 0.518 520 E N -0.114 120.123 120.200 0.062 0.000 2.033 520 E HA -0.458 nan 4.350 nan 0.000 0.199 520 E C 1.975 178.592 176.600 0.029 0.000 1.011 520 E CA 3.805 60.247 56.400 0.069 0.000 0.815 520 E CB -0.030 29.719 29.700 0.083 0.000 0.755 520 E HN 0.578 8.971 8.360 0.055 0.000 0.451 521 T N 1.365 115.928 114.554 0.015 0.000 2.649 521 T HA -0.357 nan 4.350 nan 0.000 0.268 521 T C 2.158 176.784 174.700 -0.123 0.000 1.036 521 T CA 4.196 66.265 62.100 -0.051 0.000 1.157 521 T CB -0.642 68.209 68.868 -0.028 0.000 0.861 521 T HN -0.456 8.053 8.240 0.064 -0.231 0.445 522 M N 1.099 120.615 119.600 -0.140 0.000 2.064 522 M HA -0.257 nan 4.480 nan 0.000 0.260 522 M C 1.394 177.544 176.300 -0.249 0.000 1.073 522 M CA 3.086 58.227 55.300 -0.265 0.000 1.124 522 M CB -0.285 32.053 32.600 -0.436 0.000 1.326 522 M HN -0.685 7.702 8.290 -0.090 -0.151 0.410 523 V N -0.888 118.946 119.914 -0.134 0.000 2.469 523 V HA -0.483 nan 4.120 nan 0.000 0.251 523 V C 2.745 178.854 176.094 0.025 0.000 1.064 523 V CA 4.046 66.353 62.300 0.011 0.000 1.066 523 V CB -1.550 30.384 31.823 0.184 0.000 0.667 523 V HN -0.197 7.953 8.190 -0.066 0.000 0.461 524 E N -1.308 118.876 120.200 -0.027 0.000 2.122 524 E HA -0.129 nan 4.350 nan 0.000 0.190 524 E C 2.019 178.479 176.600 -0.232 0.000 0.977 524 E CA 2.129 58.514 56.400 -0.024 0.000 0.820 524 E CB -0.109 29.613 29.700 0.038 0.000 0.770 524 E HN 0.163 8.462 8.360 -0.048 0.032 0.462 525 L N -2.701 118.208 121.223 -0.524 0.000 2.109 525 L HA -0.058 nan 4.340 nan 0.000 0.207 525 L C 2.162 178.481 176.870 -0.918 0.000 1.086 525 L CA 2.436 56.532 54.840 -1.241 0.000 0.760 525 L CB 0.146 41.584 42.059 -1.035 0.000 0.910 525 L HN -0.566 7.438 8.230 -0.377 0.000 0.437 526 G N -3.233 105.368 108.800 -0.331 0.000 2.453 526 G HA2 -0.218 nan 3.960 nan 0.000 0.215 526 G HA3 -0.218 nan 3.960 nan 0.000 0.215 526 G C 0.254 175.325 174.900 0.285 0.000 1.147 526 G CA 1.290 46.458 45.100 0.113 0.000 0.802 526 G HN -0.159 7.963 8.290 -0.279 0.000 0.535 527 A N 2.169 125.091 122.820 0.171 0.000 1.865 527 A HA -0.122 nan 4.320 nan 0.000 0.217 527 A C -0.920 176.804 177.584 0.233 0.000 1.191 527 A CA 4.717 56.898 52.037 0.240 0.000 0.623 527 A CB -2.215 16.913 19.000 0.212 0.000 0.826 527 A HN -0.275 7.919 8.150 0.074 0.000 0.444 528 P HA -0.210 nan 4.420 nan 0.000 0.215 528 P C 1.432 178.921 177.300 0.316 0.000 1.157 528 P CA 2.983 66.230 63.100 0.245 0.000 0.868 528 P CB -0.270 31.618 31.700 0.314 0.000 0.788 529 F N -4.011 115.937 119.950 -0.003 0.000 2.134 529 F HA -0.166 nan 4.527 nan 0.000 0.299 529 F C 2.336 177.789 175.800 -0.577 0.000 1.097 529 F CA 1.006 58.788 58.000 -0.364 0.000 1.264 529 F CB -0.834 37.824 39.000 -0.570 0.000 1.001 529 F HN -0.883 7.603 8.300 0.310 0.000 0.479 530 S N -1.438 114.290 115.700 0.048 0.000 2.515 530 S HA -0.171 nan 4.470 nan 0.000 0.231 530 S C 1.874 176.556 174.600 0.138 0.000 0.987 530 S CA 2.774 61.100 58.200 0.212 0.000 0.936 530 S CB -0.250 63.360 63.200 0.685 0.000 0.766 530 S HN 0.124 8.623 8.310 0.316 0.000 0.528 531 L N -0.387 120.908 121.223 0.121 0.000 2.253 531 L HA -0.051 nan 4.340 nan 0.000 0.205 531 L C 1.249 178.167 176.870 0.080 0.000 1.078 531 L CA 2.059 56.966 54.840 0.111 0.000 0.805 531 L CB 0.135 42.275 42.059 0.135 0.000 0.963 531 L HN -0.615 7.662 8.230 0.139 0.037 0.459 532 K N -1.545 118.888 120.400 0.056 0.000 2.439 532 K HA -0.263 nan 4.320 nan 0.000 0.197 532 K C 1.199 177.768 176.600 -0.051 0.000 1.041 532 K CA 2.813 59.134 56.287 0.056 0.000 0.970 532 K CB -0.232 32.258 32.500 -0.016 0.000 0.773 532 K HN -0.717 7.561 8.250 0.046 0.000 0.479 533 G N -3.776 104.933 108.800 -0.151 0.000 2.662 533 G HA2 0.120 nan 3.960 nan 0.000 0.212 533 G HA3 0.120 nan 3.960 nan 0.000 0.212 533 G C 0.101 174.903 174.900 -0.164 0.000 1.141 533 G CA 0.818 45.758 45.100 -0.268 0.000 0.797 533 G HN -0.635 7.521 8.290 -0.149 0.045 0.531 534 L N 1.064 122.255 121.223 -0.054 0.000 2.116 534 L HA 0.139 nan 4.340 nan 0.000 0.200 534 L C 1.118 178.025 176.870 0.062 0.000 1.084 534 L CA 1.977 56.813 54.840 -0.007 0.000 0.766 534 L CB -0.104 41.963 42.059 0.012 0.000 0.930 534 L HN -0.667 7.396 8.230 -0.029 0.150 0.453 535 M N -4.880 114.783 119.600 0.104 0.000 2.099 535 M HA -0.064 nan 4.480 nan 0.000 0.262 535 M C 2.349 178.875 176.300 0.376 0.000 1.067 535 M CA 0.190 55.577 55.300 0.144 0.000 1.124 535 M CB -0.104 32.431 32.600 -0.108 0.000 1.353 535 M HN 0.051 8.392 8.290 0.084 0.000 0.410 536 G N -1.043 108.017 108.800 0.433 0.000 3.180 536 G HA2 -0.150 nan 3.960 nan 0.000 0.252 536 G HA3 -0.150 nan 3.960 nan 0.000 0.252 536 G C -1.500 173.486 174.900 0.142 0.000 0.871 536 G CA -0.043 45.202 45.100 0.243 0.000 1.979 536 G HN -0.325 8.065 8.290 0.335 0.101 0.624 537 N N 1.834 120.682 118.700 0.246 0.000 2.352 537 N HA 0.309 nan 4.740 nan 0.000 0.291 537 N C -1.552 174.034 175.510 0.127 0.000 1.040 537 N CA -2.839 50.283 53.050 0.121 0.000 0.864 537 N CB 2.531 41.065 38.487 0.079 0.000 1.440 537 N HN -0.114 8.441 8.380 0.408 0.069 0.483 538 P HA -0.361 nan 4.420 nan 0.000 0.222 538 P C 1.393 178.466 177.300 -0.380 0.000 1.157 538 P CA 2.695 65.602 63.100 -0.321 0.000 0.905 538 P CB 0.217 31.570 31.700 -0.580 0.000 0.792 539 I N -6.019 114.457 120.570 -0.158 0.000 2.454 539 I HA -0.289 nan 4.170 nan 0.000 0.254 539 I C 0.914 177.288 176.117 0.427 0.000 1.156 539 I CA 2.976 64.428 61.300 0.253 0.000 1.433 539 I CB -0.515 37.813 38.000 0.546 0.000 1.082 539 I HN -0.688 7.668 8.210 -0.102 -0.206 0.432 540 C N -1.477 117.994 119.300 0.284 0.000 2.472 540 C HA -0.033 nan 4.460 nan 0.000 0.278 540 C C 0.158 175.362 174.990 0.356 0.000 1.447 540 C CA -0.050 59.129 59.018 0.267 0.000 1.773 540 C CB -1.822 26.137 27.740 0.365 0.000 1.793 540 C HN 0.081 8.335 8.230 0.233 0.115 0.544 541 S N 1.413 117.169 115.700 0.092 0.000 2.579 541 S HA 0.146 nan 4.470 nan 0.000 0.275 541 S C -0.886 173.680 174.600 -0.057 0.000 1.345 541 S CA -0.637 57.295 58.200 -0.447 0.000 1.031 541 S CB 0.418 63.392 63.200 -0.377 0.000 0.892 541 S HN -0.071 8.094 8.310 0.125 0.219 0.529 542 P HA -0.001 nan 4.420 nan 0.000 0.226 542 P C -0.141 177.005 177.300 -0.256 0.000 1.153 542 P CA 2.141 64.793 63.100 -0.747 0.000 0.777 542 P CB 0.018 31.034 31.700 -1.139 0.000 0.794 543 Q N -3.202 116.529 119.800 -0.116 0.000 2.212 543 Q HA -0.149 nan 4.340 nan 0.000 0.199 543 Q C 1.221 177.205 176.000 -0.027 0.000 0.950 543 Q CA 2.189 57.955 55.803 -0.061 0.000 0.863 543 Q CB -0.505 28.215 28.738 -0.030 0.000 0.944 543 Q HN -0.501 7.638 8.270 -0.137 0.049 0.465 544 Y N -3.540 116.754 120.300 -0.011 0.000 2.479 544 Y HA -0.030 nan 4.550 nan 0.000 0.283 544 Y C 0.535 176.522 175.900 0.145 0.000 1.109 544 Y CA 0.847 58.966 58.100 0.032 0.000 1.239 544 Y CB 1.632 40.167 38.460 0.124 0.000 1.108 544 Y HN -0.625 7.781 8.280 0.384 0.105 0.548 545 W N 2.787 124.250 121.300 0.272 0.000 1.282 545 W HA -0.172 nan 4.660 nan 0.000 0.527 545 W C -0.994 175.586 176.519 0.101 0.000 0.616 545 W CA 1.115 58.675 57.345 0.358 0.000 2.357 545 W CB -0.838 28.972 29.460 0.584 0.000 1.453 545 W HN 0.314 8.750 8.180 0.603 0.105 0.188 546 K N 0.215 120.351 120.400 -0.440 0.000 2.556 546 K HA 0.403 nan 4.320 nan 0.000 0.274 546 K C -2.783 173.210 176.600 -1.011 0.000 0.966 546 K CA -3.046 52.795 56.287 -0.743 0.000 0.865 546 K CB 0.425 32.709 32.500 -0.361 0.000 1.444 546 K HN -0.117 7.876 8.250 -0.353 0.045 0.433 547 P HA -0.188 nan 4.420 nan 0.000 0.286 547 P C 0.358 177.455 177.300 -0.339 0.000 1.278 547 P CA 0.546 63.310 63.100 -0.560 0.000 0.785 547 P CB -0.138 31.401 31.700 -0.269 0.000 1.269 548 S N -4.780 110.847 115.700 -0.122 0.000 1.885 548 S HA -0.557 nan 4.470 nan 0.000 0.220 548 S C 2.127 176.624 174.600 -0.172 0.000 0.988 548 S CA 3.461 61.611 58.200 -0.083 0.000 1.627 548 S CB -2.061 61.082 63.200 -0.096 0.000 2.182 548 S HN 0.177 8.357 8.310 -0.017 0.119 0.556 549 T N 4.801 119.090 114.554 -0.442 0.000 2.822 549 T HA -0.231 nan 4.350 nan 0.000 0.270 549 T C 0.901 175.238 174.700 -0.605 0.000 1.064 549 T CA 3.560 65.273 62.100 -0.645 0.000 1.131 549 T CB -0.320 67.903 68.868 -1.075 0.000 0.858 549 T HN 0.259 8.140 8.240 -0.517 0.049 0.483 550 F N -1.384 118.623 119.950 0.095 0.000 2.850 550 F HA 0.320 nan 4.527 nan 0.000 0.306 550 F C 0.073 175.998 175.800 0.208 0.000 1.162 550 F CA -2.595 55.507 58.000 0.171 0.000 1.327 550 F CB -1.472 37.668 39.000 0.233 0.000 0.953 550 F HN -0.637 7.388 8.300 -0.385 0.044 0.507 551 G N -2.304 106.676 108.800 0.299 0.000 2.267 551 G HA2 -0.408 nan 3.960 nan 0.000 0.257 551 G HA3 -0.408 nan 3.960 nan 0.000 0.257 551 G C -1.932 173.121 174.900 0.256 0.000 0.998 551 G CA 0.707 46.065 45.100 0.431 0.000 0.620 551 G HN 0.061 8.292 8.290 0.155 0.152 0.529 552 G N -2.664 106.280 108.800 0.239 0.000 2.325 552 G HA2 -0.104 nan 3.960 nan 0.000 0.295 552 G HA3 -0.104 nan 3.960 nan 0.000 0.295 552 G C -1.031 173.977 174.900 0.180 0.000 1.274 552 G CA -0.404 44.811 45.100 0.192 0.000 0.857 552 G HN -0.992 7.360 8.290 0.264 0.096 0.499 553 E N 0.008 120.296 120.200 0.147 0.000 2.170 553 E HA -0.096 nan 4.350 nan 0.000 0.191 553 E C 1.847 178.578 176.600 0.218 0.000 0.981 553 E CA 1.742 58.250 56.400 0.179 0.000 0.830 553 E CB 0.022 29.791 29.700 0.114 0.000 0.775 553 E HN 0.367 8.795 8.360 0.114 0.000 0.470 554 V N -0.201 119.809 119.914 0.161 0.000 2.214 554 V HA -0.398 nan 4.120 nan 0.000 0.247 554 V C 2.514 178.717 176.094 0.181 0.000 1.051 554 V CA 4.588 66.969 62.300 0.136 0.000 1.003 554 V CB -1.296 30.587 31.823 0.101 0.000 0.635 554 V HN -0.004 8.248 8.190 0.135 0.019 0.447 555 G N -0.779 108.162 108.800 0.235 0.000 2.469 555 G HA2 -0.356 nan 3.960 nan 0.000 0.219 555 G HA3 -0.356 nan 3.960 nan 0.000 0.219 555 G C 0.831 175.916 174.900 0.309 0.000 1.150 555 G CA 2.096 47.362 45.100 0.278 0.000 0.763 555 G HN 0.072 8.504 8.290 0.237 0.000 0.561 556 F N 1.490 121.550 119.950 0.184 0.000 2.216 556 F HA -0.157 nan 4.527 nan 0.000 0.300 556 F C 0.148 175.960 175.800 0.021 0.000 1.085 556 F CA 1.324 59.385 58.000 0.101 0.000 1.326 556 F CB 0.378 39.430 39.000 0.087 0.000 1.027 556 F HN -0.812 7.776 8.300 0.495 0.009 0.497 557 K N -2.135 118.316 120.400 0.084 0.000 2.708 557 K HA 0.075 nan 4.320 nan 0.000 0.219 557 K C 0.243 176.849 176.600 0.009 0.000 1.068 557 K CA -0.837 55.435 56.287 -0.026 0.000 1.212 557 K CB -1.894 30.623 32.500 0.029 0.000 0.978 557 K HN -0.109 8.123 8.250 0.201 0.138 0.475 558 I N -0.264 120.320 120.570 0.024 0.000 3.673 558 I HA -0.100 nan 4.170 nan 0.000 0.281 558 I C 1.387 177.534 176.117 0.050 0.000 1.182 558 I CA 2.145 63.476 61.300 0.052 0.000 1.391 558 I CB 1.268 39.318 38.000 0.084 0.000 1.383 558 I HN -0.474 7.630 8.210 0.019 0.117 0.456 559 I N 1.308 121.894 120.570 0.027 0.000 2.127 559 I HA -0.528 nan 4.170 nan 0.000 0.241 559 I C 1.130 177.315 176.117 0.112 0.000 1.075 559 I CA 4.046 65.398 61.300 0.087 0.000 1.334 559 I CB -0.156 37.898 38.000 0.090 0.000 1.040 559 I HN -0.628 7.581 8.210 -0.001 0.000 0.405 560 N N -2.542 116.151 118.700 -0.012 0.000 2.416 560 N HA 0.028 nan 4.740 nan 0.000 0.215 560 N C 0.336 175.854 175.510 0.014 0.000 1.208 560 N CA 1.460 54.507 53.050 -0.006 0.000 0.834 560 N CB -0.561 37.829 38.487 -0.162 0.000 1.072 560 N HN -0.479 7.819 8.380 -0.137 0.000 0.472 561 T N -4.983 109.594 114.554 0.039 0.000 3.326 561 T HA 0.153 nan 4.350 nan 0.000 0.302 561 T C -1.027 173.703 174.700 0.050 0.000 0.908 561 T CA -0.845 61.277 62.100 0.037 0.000 0.933 561 T CB 1.023 69.906 68.868 0.025 0.000 1.194 561 T HN -0.390 7.787 8.240 0.053 0.095 0.585 562 A N 2.323 125.189 122.820 0.076 0.000 2.425 562 A HA 0.094 nan 4.320 nan 0.000 0.242 562 A C -1.584 176.037 177.584 0.062 0.000 1.077 562 A CA 0.695 52.782 52.037 0.084 0.000 0.781 562 A CB 0.551 19.628 19.000 0.128 0.000 1.020 562 A HN -0.479 7.727 8.150 0.093 0.000 0.494 563 S N -0.298 115.425 115.700 0.039 0.000 2.586 563 S HA 0.054 nan 4.470 nan 0.000 0.277 563 S C -0.407 174.165 174.600 -0.047 0.000 1.131 563 S CA -0.660 57.535 58.200 -0.008 0.000 0.848 563 S CB 2.178 65.360 63.200 -0.030 0.000 1.091 563 S HN -0.383 7.953 8.310 0.043 0.000 0.453 564 I N 3.743 124.236 120.570 -0.129 0.000 2.394 564 I HA -0.323 nan 4.170 nan 0.000 0.251 564 I C 0.474 176.465 176.117 -0.210 0.000 1.136 564 I CA 1.476 62.664 61.300 -0.186 0.000 1.425 564 I CB -0.495 37.187 38.000 -0.529 0.000 1.079 564 I HN 0.341 8.752 8.210 -0.163 -0.299 0.425 565 Q N -0.575 119.089 119.800 -0.228 0.000 2.061 565 Q HA -0.303 nan 4.340 nan 0.000 0.204 565 Q C 2.176 178.103 176.000 -0.122 0.000 0.984 565 Q CA 3.336 59.017 55.803 -0.202 0.000 0.846 565 Q CB -0.641 28.003 28.738 -0.157 0.000 0.902 565 Q HN 0.356 8.469 8.270 -0.227 0.021 0.421 566 S N 0.508 116.159 115.700 -0.082 0.000 2.377 566 S HA -0.231 nan 4.470 nan 0.000 0.223 566 S C 2.081 176.643 174.600 -0.064 0.000 1.030 566 S CA 3.474 61.643 58.200 -0.051 0.000 0.970 566 S CB 0.014 63.201 63.200 -0.021 0.000 0.830 566 S HN -0.284 7.895 8.310 -0.077 0.085 0.473 567 L N 2.208 123.383 121.223 -0.079 0.000 2.051 567 L HA -0.370 nan 4.340 nan 0.000 0.214 567 L C 1.996 178.784 176.870 -0.136 0.000 1.076 567 L CA 3.477 58.240 54.840 -0.128 0.000 0.758 567 L CB -0.132 41.816 42.059 -0.184 0.000 0.890 567 L HN 0.110 8.297 8.230 -0.071 0.000 0.433 568 I N -1.577 118.926 120.570 -0.113 0.000 2.296 568 I HA -0.364 nan 4.170 nan 0.000 0.242 568 I C 1.223 177.290 176.117 -0.085 0.000 1.087 568 I CA 4.100 65.338 61.300 -0.104 0.000 1.393 568 I CB 0.039 37.978 38.000 -0.102 0.000 1.093 568 I HN -0.495 7.638 8.210 -0.113 0.009 0.421 569 c N -0.544 118.013 118.600 -0.072 0.000 2.409 569 c HA -0.334 nan 4.570 nan 0.000 0.288 569 c C 1.850 175.914 174.090 -0.042 0.000 1.395 569 c CA 3.208 59.508 56.329 -0.048 0.000 1.792 569 c CB -1.654 40.836 42.510 -0.033 0.000 1.847 569 c HN -0.237 7.944 8.230 -0.082 0.000 0.534 570 N N -2.017 116.654 118.700 -0.048 0.000 2.402 570 N HA 0.102 nan 4.740 nan 0.000 0.174 570 N C 0.639 176.118 175.510 -0.051 0.000 1.027 570 N CA 2.135 55.162 53.050 -0.038 0.000 0.891 570 N CB 0.500 38.971 38.487 -0.027 0.000 1.016 570 N HN 0.243 8.536 8.380 -0.060 0.051 0.439 571 N N -2.567 116.088 118.700 -0.075 0.000 2.273 571 N HA 0.083 nan 4.740 nan 0.000 0.192 571 N C -0.494 174.951 175.510 -0.109 0.000 1.132 571 N CA 0.600 53.594 53.050 -0.094 0.000 0.887 571 N CB 3.077 41.494 38.487 -0.117 0.000 1.048 571 N HN -0.390 7.821 8.380 -0.083 0.119 0.490 572 V N -0.317 119.539 119.914 -0.096 0.000 2.370 572 V HA 0.168 nan 4.120 nan 0.000 0.283 572 V C 0.099 176.151 176.094 -0.069 0.000 1.023 572 V CA -1.586 60.659 62.300 -0.093 0.000 0.857 572 V CB -0.058 31.712 31.823 -0.088 0.000 0.985 572 V HN 0.220 8.266 8.190 -0.084 0.093 0.443 573 K N 7.097 127.454 120.400 -0.072 0.000 2.347 573 K HA -0.364 nan 4.320 nan 0.000 0.209 573 K C 0.573 177.154 176.600 -0.032 0.000 1.020 573 K CA 2.060 58.316 56.287 -0.051 0.000 0.924 573 K CB -0.222 32.254 32.500 -0.040 0.000 0.863 573 K HN 0.557 8.751 8.250 -0.093 0.000 0.495 574 G N -4.525 104.260 108.800 -0.025 0.000 3.226 574 G HA2 -0.044 nan 3.960 nan 0.000 0.190 574 G HA3 -0.044 nan 3.960 nan 0.000 0.190 574 G C -1.635 173.255 174.900 -0.015 0.000 1.988 574 G CA 0.819 45.912 45.100 -0.013 0.000 0.859 574 G HN -0.082 8.125 8.290 -0.031 0.064 0.631 575 c N 0.422 119.017 118.600 -0.009 0.000 2.132 575 c HA 0.066 nan 4.570 nan 0.000 0.347 575 c C -2.668 171.427 174.090 0.009 0.000 0.692 575 c CA -1.861 54.462 56.329 -0.009 0.000 0.603 575 c CB -0.969 41.540 42.510 -0.001 0.000 1.259 575 c HN -0.047 8.182 8.230 -0.003 0.000 0.768 576 P HA 0.176 nan 4.420 nan 0.000 0.275 576 P C -1.404 175.917 177.300 0.034 0.000 1.228 576 P CA -0.583 62.537 63.100 0.034 0.000 0.786 576 P CB 0.816 32.522 31.700 0.011 0.000 0.927 577 F N 1.659 121.595 119.950 -0.023 0.000 2.459 577 F HA -0.044 nan 4.527 nan 0.000 0.346 577 F C -1.694 174.089 175.800 -0.028 0.000 1.128 577 F CA 0.179 58.162 58.000 -0.028 0.000 1.268 577 F CB 1.252 40.238 39.000 -0.023 0.000 1.161 577 F HN -0.013 8.444 8.300 0.262 0.000 0.583 578 T N 5.078 118.825 114.554 -1.344 0.000 2.762 578 T HA 0.306 nan 4.350 nan 0.000 0.301 578 T C -1.994 172.043 174.700 -1.106 0.000 1.299 578 T CA -0.987 60.520 62.100 -0.989 0.000 1.005 578 T CB 3.000 71.602 68.868 -0.444 0.000 1.377 578 T HN -0.152 7.453 8.240 -1.353 -0.177 0.504 579 S N -1.343 113.988 115.700 -0.616 0.000 2.669 579 S HA 0.205 nan 4.470 nan 0.000 0.266 579 S C -1.795 172.630 174.600 -0.292 0.000 1.149 579 S CA -0.544 57.372 58.200 -0.475 0.000 0.842 579 S CB 1.055 64.126 63.200 -0.215 0.000 1.160 579 S HN -0.270 7.799 8.310 -0.402 0.000 0.487 580 F N -1.572 118.323 119.950 -0.092 0.000 2.668 580 F HA 0.175 nan 4.527 nan 0.000 0.301 580 F C -1.114 174.430 175.800 -0.427 0.000 1.106 580 F CA -1.020 56.885 58.000 -0.159 0.000 1.289 580 F CB 0.985 39.914 39.000 -0.117 0.000 1.006 580 F HN 0.074 8.302 8.300 -0.119 0.000 0.535 581 N N -0.748 117.959 118.700 0.011 0.000 2.229 581 N HA 0.192 nan 4.740 nan 0.000 0.298 581 N C -0.462 175.106 175.510 0.097 0.000 1.114 581 N CA -0.913 52.184 53.050 0.077 0.000 0.776 581 N CB 3.134 41.734 38.487 0.189 0.000 1.501 581 N HN -0.594 7.721 8.380 0.040 0.089 0.474 582 V N 4.698 124.657 119.914 0.076 0.000 3.394 582 V HA -0.142 nan 4.120 nan 0.000 0.340 582 V C -0.996 175.152 176.094 0.090 0.000 1.174 582 V CA -0.140 62.205 62.300 0.076 0.000 1.368 582 V CB -1.899 29.945 31.823 0.034 0.000 1.111 582 V HN 0.450 8.577 8.190 0.059 0.098 0.420 583 Q N 0.000 119.888 119.800 0.147 0.000 2.315 583 Q HA 0.000 nan 4.340 nan 0.000 0.214 583 Q CA 0.000 55.871 55.803 0.114 0.000 1.022 583 Q CB 0.000 28.788 28.738 0.084 0.000 1.108 583 Q HN 0.000 8.281 8.270 0.188 0.102 0.481