REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3hs5_1_B DATA FIRST_RESID 33 DATA SEQUENCE HHPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.413 175.328 0.142 0.000 0.993 33 H CA 0.000 56.115 56.048 0.112 0.000 1.023 33 H CB 0.000 29.820 29.762 0.097 0.000 1.292 34 H N 1.719 120.943 119.070 0.256 0.000 3.034 34 H HA 0.049 4.605 4.556 -0.001 0.000 0.324 34 H C -1.716 173.722 175.328 0.183 0.000 1.015 34 H CA -1.108 55.040 56.048 0.166 0.000 1.429 34 H CB 1.032 30.874 29.762 0.132 0.000 1.429 34 H HN 0.519 nan 8.280 nan 0.000 0.585 35 P HA -0.034 nan 4.420 nan 0.000 0.230 35 P C 0.957 178.415 177.300 0.263 0.000 1.158 35 P CA 0.728 63.967 63.100 0.232 0.000 0.769 35 P CB 0.210 32.019 31.700 0.182 0.000 0.807 36 c N -2.328 116.506 118.600 0.390 0.000 2.697 36 c HA 0.089 4.658 4.570 -0.001 0.000 0.267 36 c C 2.533 176.584 174.090 -0.065 0.000 1.278 36 c CA -0.177 56.176 56.329 0.039 0.000 1.708 36 c CB -2.018 40.489 42.510 -0.006 0.000 1.860 36 c HN 0.334 nan 8.230 nan 0.000 0.589 37 c N 1.675 120.309 118.600 0.057 0.000 2.403 37 c HA -0.134 4.435 4.570 -0.001 0.000 0.279 37 c C 2.864 176.915 174.090 -0.066 0.000 1.269 37 c CA 2.208 58.530 56.329 -0.012 0.000 1.774 37 c CB -1.305 41.221 42.510 0.027 0.000 1.993 37 c HN 0.815 nan 8.230 nan 0.000 0.496 38 S N 0.225 115.891 115.700 -0.057 0.000 2.603 38 S HA 0.006 4.476 4.470 -0.001 0.000 0.220 38 S C 0.323 174.847 174.600 -0.127 0.000 0.967 38 S CA 0.220 58.373 58.200 -0.078 0.000 0.920 38 S CB -0.698 62.475 63.200 -0.044 0.000 0.773 38 S HN 0.695 nan 8.310 nan 0.000 0.529 39 N N 1.920 120.520 118.700 -0.167 0.000 2.667 39 N HA -0.094 4.646 4.740 -0.001 0.000 0.263 39 N C -1.971 173.414 175.510 -0.209 0.000 1.038 39 N CA 1.001 53.936 53.050 -0.192 0.000 0.749 39 N CB -1.194 37.193 38.487 -0.168 0.000 0.892 39 N HN 0.479 nan 8.380 nan 0.000 0.546 40 P HA -0.014 nan 4.420 nan 0.000 0.222 40 P C 0.277 177.466 177.300 -0.184 0.000 1.153 40 P CA 0.632 63.557 63.100 -0.292 0.000 0.798 40 P CB 0.202 31.507 31.700 -0.658 0.000 0.796 41 c N 2.665 121.157 118.600 -0.181 0.000 2.482 41 c HA 0.353 4.923 4.570 -0.001 0.000 0.378 41 c C 0.718 174.733 174.090 -0.125 0.000 1.284 41 c CA -0.610 55.660 56.329 -0.098 0.000 1.826 41 c CB -0.543 41.934 42.510 -0.055 0.000 2.473 41 c HN 0.260 nan 8.230 nan 0.000 0.562 42 Q N 1.809 121.525 119.800 -0.141 0.000 2.195 42 Q HA 0.341 4.680 4.340 -0.001 0.000 0.250 42 Q C 0.209 176.056 176.000 -0.256 0.000 0.988 42 Q CA -0.429 55.250 55.803 -0.206 0.000 0.911 42 Q CB 0.521 29.110 28.738 -0.248 0.000 1.258 42 Q HN 0.761 nan 8.270 nan 0.000 0.475 43 N N 1.520 120.042 118.700 -0.298 0.000 2.738 43 N HA -0.212 4.527 4.740 -0.001 0.000 0.249 43 N C -0.650 174.784 175.510 -0.128 0.000 1.047 43 N CA 0.778 53.646 53.050 -0.305 0.000 0.707 43 N CB -0.458 37.576 38.487 -0.756 0.000 0.937 43 N HN 0.653 nan 8.380 nan 0.000 0.545 44 R N -4.285 116.150 120.500 -0.109 0.000 3.989 44 R HA -0.144 4.195 4.340 -0.001 0.000 0.377 44 R C 0.888 177.175 176.300 -0.021 0.000 1.158 44 R CA 1.260 57.323 56.100 -0.062 0.000 1.035 44 R CB -2.408 27.871 30.300 -0.034 0.000 1.557 44 R HN 0.517 nan 8.270 nan 0.000 0.551 45 G N 1.433 110.214 108.800 -0.031 0.000 2.491 45 G HA2 0.306 4.266 3.960 -0.001 0.000 0.242 45 G HA3 0.306 4.266 3.960 -0.001 0.000 0.242 45 G C 0.145 175.048 174.900 0.006 0.000 1.266 45 G CA -0.362 44.742 45.100 0.006 0.000 0.844 45 G HN 0.092 nan 8.290 nan 0.000 0.571 46 E N 0.218 120.443 120.200 0.042 0.000 2.175 46 E HA 0.220 4.569 4.350 -0.001 0.000 0.278 46 E C -0.610 176.024 176.600 0.056 0.000 0.969 46 E CA -0.528 55.905 56.400 0.055 0.000 0.796 46 E CB 1.987 31.749 29.700 0.103 0.000 1.104 46 E HN 0.324 nan 8.360 nan 0.000 0.395 47 c N 4.384 123.000 118.600 0.026 0.000 2.388 47 c HA 0.614 5.183 4.570 -0.001 0.000 0.362 47 c C -0.000 174.153 174.090 0.105 0.000 1.266 47 c CA -0.362 55.997 56.329 0.050 0.000 2.028 47 c CB -0.475 42.007 42.510 -0.046 0.000 2.440 47 c HN 0.797 nan 8.230 nan 0.000 0.547 48 M N 5.495 125.186 119.600 0.151 0.000 2.386 48 M HA 0.431 4.911 4.480 -0.001 0.000 0.293 48 M C -0.007 176.385 176.300 0.154 0.000 1.120 48 M CA -0.093 55.293 55.300 0.143 0.000 0.909 48 M CB 2.087 34.746 32.600 0.098 0.000 1.661 48 M HN 0.792 nan 8.290 nan 0.000 0.452 49 S N 2.344 118.108 115.700 0.108 0.000 2.576 49 S HA 0.464 4.933 4.470 -0.001 0.000 0.276 49 S C 0.021 174.601 174.600 -0.033 0.000 1.339 49 S CA -0.013 58.193 58.200 0.011 0.000 1.039 49 S CB 0.520 63.601 63.200 -0.198 0.000 0.902 49 S HN 0.748 nan 8.310 nan 0.000 0.516 50 T N -0.956 113.574 114.554 -0.040 0.000 3.410 50 T HA 0.675 5.024 4.350 -0.001 0.000 0.328 50 T C 0.410 175.057 174.700 -0.089 0.000 1.567 50 T CA -0.176 61.885 62.100 -0.065 0.000 1.626 50 T CB -0.292 68.551 68.868 -0.042 0.000 0.939 50 T HN 1.942 nan 8.240 nan 0.000 0.656 51 G N 1.150 109.853 108.800 -0.162 0.000 2.541 51 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.686 51 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.686 51 G C -0.192 174.577 174.900 -0.218 0.000 1.286 51 G CA -0.591 44.401 45.100 -0.180 0.000 0.894 51 G HN 0.251 nan 8.290 nan 0.000 0.575 52 F N -0.051 119.862 119.950 -0.061 0.000 2.186 52 F HA 0.072 4.599 4.527 -0.001 0.000 0.299 52 F C 2.588 178.338 175.800 -0.083 0.000 1.090 52 F CA 2.026 59.980 58.000 -0.076 0.000 1.307 52 F CB 0.097 39.060 39.000 -0.062 0.000 1.019 52 F HN 0.375 nan 8.300 nan 0.000 0.489 53 D N -2.171 118.297 120.400 0.113 0.000 2.431 53 D HA 0.185 4.825 4.640 -0.001 0.000 0.213 53 D C 0.115 176.439 176.300 0.041 0.000 1.130 53 D CA 0.167 54.195 54.000 0.047 0.000 0.834 53 D CB 0.763 41.586 40.800 0.038 0.000 0.985 53 D HN 0.062 nan 8.370 nan 0.000 0.504 54 Q N -0.452 119.367 119.800 0.033 0.000 2.421 54 Q HA 0.601 4.941 4.340 -0.001 0.000 0.280 54 Q C -1.227 174.812 176.000 0.066 0.000 1.085 54 Q CA -1.208 54.600 55.803 0.008 0.000 0.807 54 Q CB 2.410 31.112 28.738 -0.059 0.000 1.405 54 Q HN 0.683 nan 8.270 nan 0.000 0.419 55 Y N -1.323 118.982 120.300 0.008 0.000 2.633 55 Y HA 0.931 5.480 4.550 -0.001 0.000 0.339 55 Y C -0.590 175.320 175.900 0.016 0.000 1.045 55 Y CA -1.405 56.706 58.100 0.019 0.000 1.098 55 Y CB 1.741 40.229 38.460 0.046 0.000 1.296 55 Y HN 0.603 nan 8.280 nan 0.000 0.494 56 K N 0.858 121.366 120.400 0.180 0.000 2.468 56 K HA 0.662 4.982 4.320 -0.001 0.000 0.252 56 K C -2.177 174.557 176.600 0.223 0.000 0.932 56 K CA -0.273 56.075 56.287 0.102 0.000 0.794 56 K CB 1.609 34.128 32.500 0.032 0.000 1.241 56 K HN 0.947 nan 8.250 nan 0.000 0.428 57 c N 2.799 121.522 118.600 0.205 0.000 2.330 57 c HA 0.443 5.013 4.570 -0.001 0.000 0.344 57 c C -0.652 173.504 174.090 0.110 0.000 1.273 57 c CA -0.692 55.736 56.329 0.165 0.000 1.879 57 c CB 0.547 43.156 42.510 0.164 0.000 2.376 57 c HN 0.802 nan 8.230 nan 0.000 0.534 58 D N 1.635 122.091 120.400 0.094 0.000 2.380 58 D HA 0.232 4.872 4.640 -0.001 0.000 0.230 58 D C 0.194 176.544 176.300 0.083 0.000 1.154 58 D CA -0.267 53.782 54.000 0.081 0.000 0.859 58 D CB 0.791 41.636 40.800 0.075 0.000 1.045 58 D HN 0.656 nan 8.370 nan 0.000 0.495 59 c N 2.924 121.581 118.600 0.096 0.000 2.693 59 c HA 0.152 4.721 4.570 -0.001 0.000 0.286 59 c C 0.787 174.944 174.090 0.112 0.000 1.277 59 c CA -0.382 56.017 56.329 0.117 0.000 1.705 59 c CB -1.512 41.095 42.510 0.161 0.000 1.879 59 c HN 0.531 nan 8.230 nan 0.000 0.607 60 T N 1.977 116.581 114.554 0.083 0.000 2.822 60 T HA 0.035 4.385 4.350 -0.001 0.000 0.288 60 T C 0.955 175.697 174.700 0.069 0.000 0.991 60 T CA 0.602 62.742 62.100 0.067 0.000 1.176 60 T CB -0.045 68.852 68.868 0.048 0.000 0.951 60 T HN 0.627 nan 8.240 nan 0.000 0.526 61 R N -0.041 120.500 120.500 0.068 0.000 3.953 61 R HA -0.227 4.113 4.340 -0.001 0.000 0.340 61 R C 1.682 178.036 176.300 0.089 0.000 1.195 61 R CA 1.245 57.382 56.100 0.063 0.000 0.929 61 R CB -2.516 27.810 30.300 0.044 0.000 1.402 61 R HN 0.917 nan 8.270 nan 0.000 0.540 62 T N -4.089 110.543 114.554 0.130 0.000 3.043 62 T HA 0.199 4.548 4.350 -0.001 0.000 0.263 62 T C 1.511 176.373 174.700 0.269 0.000 1.094 62 T CA 1.003 63.222 62.100 0.199 0.000 1.127 62 T CB 0.660 69.660 68.868 0.220 0.000 0.905 62 T HN 0.707 nan 8.240 nan 0.000 0.490 63 G N 0.542 109.434 108.800 0.154 0.000 2.157 63 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.248 63 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.248 63 G C -0.101 174.681 174.900 -0.196 0.000 0.979 63 G CA 0.038 45.126 45.100 -0.020 0.000 0.650 63 G HN 0.578 nan 8.290 nan 0.000 0.529 64 F N -0.684 119.319 119.950 0.088 0.000 2.620 64 F HA 0.799 5.325 4.527 -0.002 0.000 0.320 64 F C 0.304 176.204 175.800 0.167 0.000 1.069 64 F CA -0.932 57.108 58.000 0.067 0.000 0.953 64 F CB 1.594 40.587 39.000 -0.012 0.000 1.322 64 F HN 0.256 nan 8.300 nan 0.000 0.479 65 Y N -0.997 119.439 120.300 0.226 0.000 2.889 65 Y HA 0.912 5.462 4.550 -0.001 0.000 0.317 65 Y C -0.054 175.921 175.900 0.126 0.000 1.414 65 Y CA -1.565 56.618 58.100 0.137 0.000 1.091 65 Y CB 1.039 39.548 38.460 0.082 0.000 1.358 65 Y HN 1.048 nan 8.280 nan 0.000 0.487 66 G N 0.274 109.226 108.800 0.253 0.000 2.707 66 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.686 66 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.686 66 G C 0.252 175.212 174.900 0.101 0.000 1.315 66 G CA -0.007 45.167 45.100 0.124 0.000 0.832 66 G HN 1.169 nan 8.290 nan 0.000 0.573 67 E N -0.300 119.946 120.200 0.076 0.000 2.147 67 E HA -0.195 4.155 4.350 -0.001 0.000 0.199 67 E C 1.438 178.114 176.600 0.126 0.000 1.005 67 E CA 1.673 58.118 56.400 0.075 0.000 0.810 67 E CB -0.076 29.651 29.700 0.044 0.000 0.736 67 E HN 0.411 nan 8.360 nan 0.000 0.460 68 N N -0.862 117.895 118.700 0.096 0.000 2.235 68 N HA 0.084 4.823 4.740 -0.001 0.000 0.231 68 N C -0.607 174.906 175.510 0.005 0.000 1.177 68 N CA 0.391 53.488 53.050 0.079 0.000 0.874 68 N CB 0.529 39.047 38.487 0.052 0.000 1.097 68 N HN 0.128 nan 8.380 nan 0.000 0.518 69 c N 0.887 119.504 118.600 0.030 0.000 4.167 69 c HA -0.119 4.450 4.570 -0.001 0.000 0.302 69 c C 1.753 175.779 174.090 -0.105 0.000 1.384 69 c CA 1.125 57.469 56.329 0.025 0.000 2.041 69 c CB -3.119 39.403 42.510 0.019 0.000 1.303 69 c HN 0.593 nan 8.230 nan 0.000 0.718 70 T N -4.908 109.609 114.554 -0.060 0.000 2.985 70 T HA 0.168 4.517 4.350 -0.001 0.000 0.254 70 T C 0.305 175.065 174.700 0.100 0.000 1.021 70 T CA 0.587 62.637 62.100 -0.082 0.000 0.957 70 T CB 0.187 69.005 68.868 -0.084 0.000 1.047 70 T HN 0.553 nan 8.240 nan 0.000 0.511 71 T N 5.771 120.312 114.554 -0.022 0.000 2.723 71 T HA 0.403 4.752 4.350 -0.001 0.000 0.297 71 T C -2.700 171.848 174.700 -0.253 0.000 0.925 71 T CA -1.238 60.712 62.100 -0.251 0.000 1.030 71 T CB 1.114 69.554 68.868 -0.714 0.000 0.905 71 T HN 0.223 nan 8.240 nan 0.000 0.502 72 P HA 0.252 nan 4.420 nan 0.000 0.275 72 P C -0.050 177.147 177.300 -0.170 0.000 1.227 72 P CA -0.439 62.398 63.100 -0.437 0.000 0.781 72 P CB 1.043 32.536 31.700 -0.346 0.000 0.906 73 E N 0.794 120.912 120.200 -0.138 0.000 2.371 73 E HA 0.059 4.409 4.350 -0.001 0.000 0.257 73 E C 0.767 177.392 176.600 0.042 0.000 1.134 73 E CA -0.407 56.051 56.400 0.096 0.000 0.919 73 E CB 0.165 29.909 29.700 0.072 0.000 1.025 73 E HN 0.358 nan 8.360 nan 0.000 0.438 74 F N 2.029 121.968 119.950 -0.018 0.000 2.069 74 F HA -0.256 4.270 4.527 -0.001 0.000 0.298 74 F C 2.155 177.922 175.800 -0.055 0.000 1.113 74 F CA 2.200 60.181 58.000 -0.031 0.000 1.214 74 F CB -0.754 38.236 39.000 -0.016 0.000 0.978 74 F HN 0.448 nan 8.300 nan 0.000 0.474 75 L N -0.804 120.344 121.223 -0.126 0.000 2.079 75 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 75 L C 2.342 179.064 176.870 -0.247 0.000 1.081 75 L CA 2.691 57.398 54.840 -0.222 0.000 0.752 75 L CB -2.157 39.858 42.059 -0.074 0.000 0.896 75 L HN 0.399 nan 8.230 nan 0.000 0.433 76 T N -1.246 113.170 114.554 -0.230 0.000 2.746 76 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 76 T C 2.195 176.744 174.700 -0.252 0.000 1.039 76 T CA 1.536 63.472 62.100 -0.273 0.000 1.142 76 T CB -0.335 68.249 68.868 -0.473 0.000 0.866 76 T HN 0.649 nan 8.240 nan 0.000 0.444 77 R N 0.474 120.814 120.500 -0.267 0.000 2.083 77 R HA -0.021 4.318 4.340 -0.001 0.000 0.237 77 R C 2.473 178.633 176.300 -0.234 0.000 1.137 77 R CA 1.422 57.390 56.100 -0.221 0.000 0.951 77 R CB -0.604 29.573 30.300 -0.206 0.000 0.851 77 R HN 0.417 nan 8.270 nan 0.000 0.434 78 I N 0.866 121.228 120.570 -0.347 0.000 2.286 78 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 78 I C 2.238 178.250 176.117 -0.175 0.000 1.115 78 I CA 1.370 62.499 61.300 -0.284 0.000 1.392 78 I CB -0.254 37.527 38.000 -0.365 0.000 1.065 78 I HN 0.143 nan 8.210 nan 0.000 0.418 79 K N 0.905 121.205 120.400 -0.166 0.000 2.026 79 K HA -0.120 4.199 4.320 -0.001 0.000 0.208 79 K C 2.083 178.637 176.600 -0.075 0.000 1.048 79 K CA 1.321 57.541 56.287 -0.111 0.000 0.929 79 K CB -0.230 32.203 32.500 -0.111 0.000 0.713 79 K HN 0.265 nan 8.250 nan 0.000 0.439 80 L N 0.846 122.025 121.223 -0.073 0.000 2.275 80 L HA -0.142 4.198 4.340 -0.001 0.000 0.215 80 L C 2.459 179.309 176.870 -0.033 0.000 1.119 80 L CA 0.214 55.036 54.840 -0.030 0.000 0.790 80 L CB -0.334 41.720 42.059 -0.007 0.000 0.919 80 L HN 0.105 nan 8.230 nan 0.000 0.443 81 L N -0.316 120.871 121.223 -0.059 0.000 2.072 81 L HA -0.048 4.291 4.340 -0.001 0.000 0.205 81 L C 2.210 179.055 176.870 -0.041 0.000 1.079 81 L CA 1.333 56.142 54.840 -0.052 0.000 0.752 81 L CB -0.383 41.633 42.059 -0.072 0.000 0.906 81 L HN 0.327 nan 8.230 nan 0.000 0.436 82 L N -0.804 120.391 121.223 -0.046 0.000 2.202 82 L HA 0.032 4.371 4.340 -0.001 0.000 0.205 82 L C 1.580 178.438 176.870 -0.020 0.000 1.083 82 L CA 0.381 55.199 54.840 -0.037 0.000 0.790 82 L CB -0.523 41.509 42.059 -0.046 0.000 0.942 82 L HN 0.093 nan 8.230 nan 0.000 0.452 83 K N 2.782 123.175 120.400 -0.012 0.000 2.437 83 K HA 0.073 4.392 4.320 -0.001 0.000 0.277 83 K C -2.077 174.538 176.600 0.024 0.000 1.073 83 K CA -1.022 55.273 56.287 0.013 0.000 1.105 83 K CB -0.549 31.962 32.500 0.019 0.000 0.881 83 K HN 0.112 nan 8.250 nan 0.000 0.475 84 P HA 0.182 nan 4.420 nan 0.000 0.276 84 P C -0.099 177.240 177.300 0.064 0.000 1.244 84 P CA -0.397 62.729 63.100 0.044 0.000 0.801 84 P CB 0.680 32.410 31.700 0.051 0.000 1.006 85 T N -1.634 112.955 114.554 0.059 0.000 2.828 85 T HA 0.203 4.553 4.350 -0.001 0.000 0.290 85 T C -1.752 173.006 174.700 0.096 0.000 1.019 85 T CA -1.347 60.792 62.100 0.065 0.000 1.031 85 T CB -0.030 68.866 68.868 0.046 0.000 1.001 85 T HN 0.154 nan 8.240 nan 0.000 0.531 86 P HA -0.056 nan 4.420 nan 0.000 0.218 86 P C 1.287 178.682 177.300 0.158 0.000 1.148 86 P CA 0.801 63.976 63.100 0.124 0.000 0.822 86 P CB -0.023 31.731 31.700 0.091 0.000 0.784 87 N N -1.239 117.538 118.700 0.127 0.000 2.120 87 N HA -0.116 4.624 4.740 -0.001 0.000 0.188 87 N C 1.793 177.440 175.510 0.228 0.000 1.024 87 N CA 2.047 55.193 53.050 0.161 0.000 0.852 87 N CB -1.241 37.309 38.487 0.106 0.000 1.003 87 N HN 0.276 nan 8.380 nan 0.000 0.424 88 T N -1.723 112.930 114.554 0.165 0.000 2.857 88 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 88 T C 2.036 176.877 174.700 0.234 0.000 1.048 88 T CA 0.866 63.064 62.100 0.163 0.000 1.139 88 T CB -0.654 68.253 68.868 0.065 0.000 0.874 88 T HN -0.094 nan 8.240 nan 0.000 0.455 89 V N 1.601 121.638 119.914 0.206 0.000 2.407 89 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 89 V C 2.563 178.787 176.094 0.216 0.000 1.055 89 V CA 2.340 64.761 62.300 0.202 0.000 1.049 89 V CB -1.015 30.923 31.823 0.192 0.000 0.662 89 V HN 0.711 nan 8.190 nan 0.000 0.455 90 H N -0.990 118.187 119.070 0.178 0.000 2.353 90 H HA -0.251 4.304 4.556 -0.002 0.000 0.300 90 H C 2.137 177.610 175.328 0.242 0.000 1.090 90 H CA 2.336 58.499 56.048 0.192 0.000 1.327 90 H CB -0.352 29.532 29.762 0.204 0.000 1.383 90 H HN 0.513 nan 8.280 nan 0.000 0.508 91 Y N 0.432 120.861 120.300 0.215 0.000 2.097 91 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 91 Y C 2.288 178.379 175.900 0.317 0.000 1.152 91 Y CA 2.128 60.369 58.100 0.236 0.000 1.136 91 Y CB -0.338 38.203 38.460 0.135 0.000 0.975 91 Y HN 0.236 nan 8.280 nan 0.000 0.498 92 I N -0.108 120.798 120.570 0.560 0.000 2.208 92 I HA -0.358 3.811 4.170 -0.001 0.000 0.245 92 I C 2.216 178.720 176.117 0.645 0.000 1.097 92 I CA 1.496 63.185 61.300 0.648 0.000 1.363 92 I CB -0.447 37.817 38.000 0.440 0.000 1.051 92 I HN 0.261 nan 8.210 nan 0.000 0.413 93 L N 0.043 121.399 121.223 0.221 0.000 2.291 93 L HA -0.122 4.217 4.340 -0.001 0.000 0.214 93 L C 2.195 178.923 176.870 -0.236 0.000 1.120 93 L CA 1.480 56.189 54.840 -0.218 0.000 0.799 93 L CB -0.572 40.966 42.059 -0.868 0.000 0.925 93 L HN 0.429 nan 8.230 nan 0.000 0.446 94 T N -5.201 109.254 114.554 -0.165 0.000 3.105 94 T HA 0.184 4.533 4.350 -0.001 0.000 0.253 94 T C 0.321 174.812 174.700 -0.348 0.000 1.047 94 T CA -0.263 61.603 62.100 -0.391 0.000 0.944 94 T CB -0.092 68.445 68.868 -0.552 0.000 1.016 94 T HN 0.184 nan 8.240 nan 0.000 0.544 95 H N -0.681 118.416 119.070 0.045 0.000 2.869 95 H HA 0.600 5.157 4.556 0.002 0.000 0.342 95 H C -0.584 174.858 175.328 0.190 0.000 1.250 95 H CA -1.727 54.231 56.048 -0.150 0.000 1.217 95 H CB 0.574 29.805 29.762 -0.885 0.000 1.917 95 H HN 0.050 nan 8.280 nan 0.000 0.586 96 F N -0.727 119.381 119.950 0.262 0.000 3.040 96 F HA -0.276 4.249 4.527 -0.004 0.000 0.298 96 F C 1.581 177.425 175.800 0.073 0.000 0.948 96 F CA 0.512 58.573 58.000 0.102 0.000 1.022 96 F CB -1.129 37.867 39.000 -0.007 0.000 1.023 96 F HN 0.528 nan 8.300 nan 0.000 0.742 97 K N 1.005 121.388 120.400 -0.028 0.000 2.160 97 K HA -0.171 4.148 4.320 -0.001 0.000 0.206 97 K C 2.250 178.848 176.600 -0.003 0.000 1.047 97 K CA 1.667 57.797 56.287 -0.261 0.000 0.930 97 K CB -0.500 31.640 32.500 -0.600 0.000 0.720 97 K HN 0.605 nan 8.250 nan 0.000 0.450 98 G N 0.184 108.993 108.800 0.015 0.000 2.402 98 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 98 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 98 G C 1.451 176.369 174.900 0.031 0.000 1.162 98 G CA 0.835 45.951 45.100 0.027 0.000 0.777 98 G HN 0.192 nan 8.290 nan 0.000 0.539 99 V N -0.408 119.504 119.914 -0.004 0.000 2.358 99 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 99 V C 2.419 178.451 176.094 -0.103 0.000 1.047 99 V CA 1.646 63.866 62.300 -0.133 0.000 1.035 99 V CB -0.700 30.933 31.823 -0.317 0.000 0.658 99 V HN 0.592 nan 8.190 nan 0.000 0.452 100 W N 0.146 121.509 121.300 0.105 0.000 2.402 100 W HA -0.134 4.525 4.660 -0.002 0.000 0.286 100 W C 2.524 179.114 176.519 0.119 0.000 1.221 100 W CA 1.127 58.562 57.345 0.149 0.000 1.257 100 W CB -0.440 29.149 29.460 0.216 0.000 1.120 100 W HN 0.270 nan 8.180 nan 0.000 0.551 101 N N 0.917 119.781 118.700 0.272 0.000 2.166 101 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 101 N C 1.364 176.955 175.510 0.135 0.000 1.019 101 N CA 1.662 54.813 53.050 0.169 0.000 0.856 101 N CB -0.391 38.155 38.487 0.098 0.000 0.993 101 N HN 0.094 nan 8.380 nan 0.000 0.426 102 I N -0.690 119.943 120.570 0.105 0.000 2.163 102 I HA -0.225 3.944 4.170 -0.001 0.000 0.240 102 I C 2.062 178.247 176.117 0.113 0.000 1.081 102 I CA 0.660 62.006 61.300 0.077 0.000 1.353 102 I CB -0.350 37.667 38.000 0.028 0.000 1.054 102 I HN -0.024 nan 8.210 nan 0.000 0.407 103 V N 1.012 121.016 119.914 0.149 0.000 2.287 103 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 103 V C 1.332 177.597 176.094 0.285 0.000 1.053 103 V CA 1.734 64.169 62.300 0.225 0.000 1.027 103 V CB -0.913 31.099 31.823 0.316 0.000 0.646 103 V HN 0.472 nan 8.190 nan 0.000 0.447 104 N N 0.760 119.642 118.700 0.303 0.000 2.738 104 N HA 0.013 4.753 4.740 -0.001 0.000 0.220 104 N C 0.185 175.771 175.510 0.127 0.000 1.546 104 N CA 0.218 53.385 53.050 0.195 0.000 0.924 104 N CB -1.256 37.315 38.487 0.141 0.000 1.271 104 N HN 0.514 nan 8.380 nan 0.000 0.504 105 I N 0.375 121.019 120.570 0.123 0.000 2.732 105 I HA -0.283 3.887 4.170 -0.001 0.000 0.129 105 I C -1.070 175.145 176.117 0.163 0.000 0.883 105 I CA -0.512 60.869 61.300 0.135 0.000 2.781 105 I CB -0.133 37.950 38.000 0.138 0.000 0.552 105 I HN 0.068 nan 8.210 nan 0.000 0.352 106 P HA -0.228 nan 4.420 nan 0.000 0.216 106 P C 1.540 178.949 177.300 0.181 0.000 1.153 106 P CA 1.430 64.619 63.100 0.147 0.000 0.858 106 P CB 0.086 31.864 31.700 0.129 0.000 0.789 107 F N 0.043 120.036 119.950 0.072 0.000 2.102 107 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 107 F C 2.012 177.863 175.800 0.085 0.000 1.105 107 F CA 1.490 59.531 58.000 0.068 0.000 1.239 107 F CB -0.814 38.217 39.000 0.051 0.000 0.991 107 F HN -0.252 nan 8.300 nan 0.000 0.474 108 L N -0.212 121.101 121.223 0.150 0.000 2.056 108 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 108 L C 2.662 179.596 176.870 0.106 0.000 1.078 108 L CA 1.571 56.454 54.840 0.072 0.000 0.749 108 L CB -0.779 41.367 42.059 0.144 0.000 0.901 108 L HN 0.111 nan 8.230 nan 0.000 0.433 109 R N 0.066 120.690 120.500 0.205 0.000 2.091 109 R HA -0.156 4.184 4.340 -0.001 0.000 0.238 109 R C 2.459 178.918 176.300 0.265 0.000 1.136 109 R CA 1.863 58.177 56.100 0.356 0.000 0.959 109 R CB -0.083 30.363 30.300 0.242 0.000 0.856 109 R HN 0.197 nan 8.270 nan 0.000 0.437 110 S N 1.068 116.818 115.700 0.083 0.000 2.348 110 S HA -0.167 4.302 4.470 -0.001 0.000 0.221 110 S C 1.844 176.411 174.600 -0.054 0.000 1.033 110 S CA 1.367 59.568 58.200 0.001 0.000 1.010 110 S CB -0.356 62.801 63.200 -0.071 0.000 0.891 110 S HN 0.363 nan 8.310 nan 0.000 0.442 111 L N 1.142 122.247 121.223 -0.196 0.000 2.012 111 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 111 L C 2.089 178.925 176.870 -0.055 0.000 1.073 111 L CA 1.497 56.216 54.840 -0.201 0.000 0.748 111 L CB -0.288 41.574 42.059 -0.329 0.000 0.891 111 L HN 0.322 nan 8.230 nan 0.000 0.431 112 I N -1.254 119.298 120.570 -0.031 0.000 2.202 112 I HA -0.330 3.840 4.170 -0.001 0.000 0.242 112 I C 2.501 178.617 176.117 -0.003 0.000 1.091 112 I CA 1.207 62.451 61.300 -0.095 0.000 1.368 112 I CB -0.184 37.609 38.000 -0.345 0.000 1.058 112 I HN 0.367 nan 8.210 nan 0.000 0.410 113 M N 1.184 120.901 119.600 0.195 0.000 2.149 113 M HA -0.233 4.247 4.480 -0.001 0.000 0.261 113 M C 2.131 178.502 176.300 0.118 0.000 1.064 113 M CA 1.836 57.302 55.300 0.277 0.000 1.102 113 M CB -0.468 32.330 32.600 0.331 0.000 1.369 113 M HN -0.014 nan 8.290 nan 0.000 0.408 114 K N -1.353 119.086 120.400 0.065 0.000 2.057 114 K HA -0.247 4.072 4.320 -0.001 0.000 0.207 114 K C 2.095 178.723 176.600 0.046 0.000 1.049 114 K CA 1.857 58.157 56.287 0.022 0.000 0.931 114 K CB -0.612 31.885 32.500 -0.005 0.000 0.714 114 K HN 0.474 nan 8.250 nan 0.000 0.440 115 Y N 0.922 121.200 120.300 -0.037 0.000 2.097 115 Y HA -0.249 4.300 4.550 -0.001 0.000 0.282 115 Y C 1.766 177.665 175.900 -0.002 0.000 1.152 115 Y CA 1.770 59.852 58.100 -0.030 0.000 1.136 115 Y CB -0.568 37.857 38.460 -0.059 0.000 0.975 115 Y HN -0.122 nan 8.280 nan 0.000 0.498 116 V N 1.000 120.820 119.914 -0.157 0.000 2.282 116 V HA -0.375 3.744 4.120 -0.001 0.000 0.249 116 V C 2.569 178.586 176.094 -0.129 0.000 1.057 116 V CA 2.337 64.530 62.300 -0.178 0.000 1.032 116 V CB -0.914 30.953 31.823 0.072 0.000 0.645 116 V HN 0.512 nan 8.190 nan 0.000 0.447 117 L N 0.193 121.383 121.223 -0.055 0.000 2.056 117 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 117 L C 2.751 179.593 176.870 -0.046 0.000 1.078 117 L CA 2.089 56.901 54.840 -0.046 0.000 0.749 117 L CB -1.001 41.014 42.059 -0.074 0.000 0.901 117 L HN 0.586 nan 8.230 nan 0.000 0.433 118 T N -3.657 110.861 114.554 -0.060 0.000 2.942 118 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 118 T C 2.034 176.735 174.700 0.001 0.000 1.062 118 T CA 0.952 63.048 62.100 -0.007 0.000 1.139 118 T CB -0.445 68.426 68.868 0.006 0.000 0.883 118 T HN 0.407 nan 8.240 nan 0.000 0.468 119 S N 2.008 117.631 115.700 -0.130 0.000 2.399 119 S HA -0.040 4.429 4.470 -0.001 0.000 0.231 119 S C 2.042 176.695 174.600 0.089 0.000 1.022 119 S CA 0.222 58.372 58.200 -0.084 0.000 0.983 119 S CB -0.456 62.514 63.200 -0.384 0.000 0.803 119 S HN 0.327 nan 8.310 nan 0.000 0.480 120 R N 1.636 122.142 120.500 0.011 0.000 2.313 120 R HA 0.192 4.532 4.340 -0.001 0.000 0.199 120 R C 2.353 178.667 176.300 0.023 0.000 0.958 120 R CA 0.859 56.969 56.100 0.017 0.000 1.047 120 R CB -0.638 29.667 30.300 0.008 0.000 0.955 120 R HN 0.765 nan 8.270 nan 0.000 0.481 121 S N 0.527 116.292 115.700 0.107 0.000 2.356 121 S HA -0.155 4.314 4.470 -0.001 0.000 0.219 121 S C 2.049 176.679 174.600 0.050 0.000 1.036 121 S CA 0.555 58.834 58.200 0.131 0.000 0.965 121 S CB -0.770 62.566 63.200 0.227 0.000 0.864 121 S HN 0.475 nan 8.310 nan 0.000 0.471 122 Y N 2.028 122.308 120.300 -0.032 0.000 2.651 122 Y HA 0.275 4.824 4.550 -0.001 0.000 0.296 122 Y C 1.563 177.399 175.900 -0.106 0.000 1.150 122 Y CA 0.157 58.221 58.100 -0.060 0.000 1.348 122 Y CB -0.814 37.619 38.460 -0.045 0.000 0.983 122 Y HN 0.219 nan 8.280 nan 0.000 0.555 123 L N 0.311 121.081 121.223 -0.756 0.000 2.418 123 L HA 0.066 4.406 4.340 -0.001 0.000 0.218 123 L C 0.182 176.733 176.870 -0.532 0.000 1.125 123 L CA 0.034 54.380 54.840 -0.825 0.000 0.835 123 L CB 0.018 41.622 42.059 -0.759 0.000 0.953 123 L HN 0.138 nan 8.230 nan 0.000 0.454 124 I N -0.135 120.242 120.570 -0.321 0.000 2.377 124 I HA 0.172 4.341 4.170 -0.001 0.000 0.293 124 I C -0.459 175.571 176.117 -0.146 0.000 0.987 124 I CA -0.856 60.327 61.300 -0.195 0.000 1.185 124 I CB 1.123 39.056 38.000 -0.111 0.000 1.341 124 I HN -0.133 nan 8.210 nan 0.000 0.455 125 D N 4.228 124.563 120.400 -0.109 0.000 2.363 125 D HA 0.147 4.787 4.640 -0.001 0.000 0.263 125 D C 0.102 176.342 176.300 -0.100 0.000 1.258 125 D CA 0.607 54.544 54.000 -0.105 0.000 0.907 125 D CB 0.665 41.400 40.800 -0.109 0.000 1.107 125 D HN 0.372 nan 8.370 nan 0.000 0.495 126 S N 2.704 118.333 115.700 -0.118 0.000 2.750 126 S HA 0.421 4.890 4.470 -0.001 0.000 0.276 126 S C -2.678 171.851 174.600 -0.119 0.000 1.165 126 S CA -1.375 56.749 58.200 -0.126 0.000 1.047 126 S CB 0.813 63.903 63.200 -0.184 0.000 1.056 126 S HN 0.028 nan 8.310 nan 0.000 0.481 127 P HA 0.227 nan 4.420 nan 0.000 0.267 127 P C -2.469 174.799 177.300 -0.054 0.000 1.200 127 P CA -0.755 62.328 63.100 -0.028 0.000 0.772 127 P CB -0.102 31.592 31.700 -0.010 0.000 0.855 128 P HA 0.037 nan 4.420 nan 0.000 0.272 128 P C 0.055 177.268 177.300 -0.145 0.000 1.240 128 P CA -0.019 63.022 63.100 -0.098 0.000 0.791 128 P CB 0.793 32.420 31.700 -0.122 0.000 0.978 129 T N -1.943 112.464 114.554 -0.246 0.000 3.257 129 T HA 0.200 4.549 4.350 -0.001 0.000 0.176 129 T C 0.449 174.890 174.700 -0.431 0.000 0.892 129 T CA 0.077 61.896 62.100 -0.469 0.000 1.147 129 T CB -0.838 67.518 68.868 -0.854 0.000 1.840 129 T HN 0.213 nan 8.240 nan 0.000 0.375 130 Y N 3.927 124.185 120.300 -0.070 0.000 2.299 130 Y HA 0.588 5.137 4.550 -0.001 0.000 0.335 130 Y C 0.875 176.711 175.900 -0.106 0.000 1.287 130 Y CA -0.720 57.330 58.100 -0.084 0.000 1.424 130 Y CB 0.293 38.718 38.460 -0.058 0.000 1.326 130 Y HN 0.773 nan 8.280 nan 0.000 0.567 131 N N -2.351 116.374 118.700 0.041 0.000 3.278 131 N HA 0.204 4.943 4.740 -0.001 0.000 0.307 131 N C -0.136 175.340 175.510 -0.055 0.000 1.551 131 N CA -0.705 52.307 53.050 -0.064 0.000 0.794 131 N CB 0.449 38.764 38.487 -0.287 0.000 1.770 131 N HN 0.387 nan 8.380 nan 0.000 0.612 132 V N -0.229 119.633 119.914 -0.086 0.000 2.469 132 V HA -0.204 3.916 4.120 -0.001 0.000 0.251 132 V C 1.215 177.281 176.094 -0.048 0.000 1.064 132 V CA 1.986 64.246 62.300 -0.068 0.000 1.066 132 V CB -0.943 30.811 31.823 -0.116 0.000 0.667 132 V HN 0.700 nan 8.190 nan 0.000 0.461 133 H N -3.057 115.948 119.070 -0.109 0.000 2.575 133 H HA 0.204 4.760 4.556 -0.001 0.000 0.267 133 H C -0.494 174.403 175.328 -0.718 0.000 0.966 133 H CA -0.013 55.843 56.048 -0.319 0.000 1.165 133 H CB 0.405 30.007 29.762 -0.267 0.000 1.433 133 H HN 0.468 nan 8.280 nan 0.000 0.544 134 Y N -0.172 120.044 120.300 -0.141 0.000 2.426 134 Y HA 0.281 4.831 4.550 -0.001 0.000 0.325 134 Y C 0.909 176.696 175.900 -0.188 0.000 0.989 134 Y CA -0.816 57.081 58.100 -0.337 0.000 1.284 134 Y CB 1.702 39.883 38.460 -0.464 0.000 1.104 134 Y HN 0.069 nan 8.280 nan 0.000 0.481 135 G N 2.160 110.915 108.800 -0.076 0.000 2.985 135 G HA2 0.049 4.009 3.960 -0.001 0.000 0.209 135 G HA3 0.049 4.009 3.960 -0.001 0.000 0.209 135 G C -0.261 174.715 174.900 0.128 0.000 1.165 135 G CA 0.292 45.366 45.100 -0.044 0.000 0.776 135 G HN 0.572 nan 8.290 nan 0.000 0.541 136 Y N -2.227 118.264 120.300 0.317 0.000 2.545 136 Y HA 0.700 5.249 4.550 -0.001 0.000 0.348 136 Y C -0.106 175.993 175.900 0.333 0.000 1.002 136 Y CA -2.198 56.118 58.100 0.360 0.000 1.039 136 Y CB 1.108 39.707 38.460 0.231 0.000 1.271 136 Y HN -0.253 nan 8.280 nan 0.000 0.467 137 K N 2.201 122.788 120.400 0.312 0.000 2.451 137 K HA 0.425 4.745 4.320 -0.001 0.000 0.280 137 K C -0.397 176.273 176.600 0.117 0.000 1.020 137 K CA 0.333 56.647 56.287 0.046 0.000 1.008 137 K CB 0.478 32.964 32.500 -0.024 0.000 0.917 137 K HN 0.901 nan 8.250 nan 0.000 0.478 138 S N 1.311 116.972 115.700 -0.065 0.000 2.570 138 S HA 0.189 4.658 4.470 -0.001 0.000 0.270 138 S C 0.093 174.655 174.600 -0.063 0.000 1.149 138 S CA -1.123 57.048 58.200 -0.049 0.000 0.837 138 S CB 0.651 63.676 63.200 -0.291 0.000 1.124 138 S HN 0.879 nan 8.310 nan 0.000 0.465 139 W N 1.264 122.514 121.300 -0.084 0.000 2.402 139 W HA -0.082 4.578 4.660 -0.001 0.000 0.286 139 W C 1.588 178.077 176.519 -0.051 0.000 1.221 139 W CA 2.200 59.542 57.345 -0.005 0.000 1.257 139 W CB -0.096 29.376 29.460 0.020 0.000 1.120 139 W HN 1.050 nan 8.180 nan 0.000 0.551 140 E N 0.855 120.985 120.200 -0.116 0.000 2.051 140 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 140 E C 2.225 178.583 176.600 -0.402 0.000 0.991 140 E CA 2.451 58.713 56.400 -0.231 0.000 0.799 140 E CB -0.728 28.784 29.700 -0.314 0.000 0.748 140 E HN 0.074 nan 8.360 nan 0.000 0.449 141 A N -0.078 122.366 122.820 -0.627 0.000 1.902 141 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 141 A C 2.231 179.582 177.584 -0.389 0.000 1.181 141 A CA 1.482 53.203 52.037 -0.527 0.000 0.623 141 A CB -0.998 17.717 19.000 -0.476 0.000 0.818 141 A HN 0.487 nan 8.150 nan 0.000 0.443 142 F N 2.001 121.638 119.950 -0.522 0.000 2.102 142 F HA -0.168 4.358 4.527 -0.001 0.000 0.298 142 F C 2.574 178.031 175.800 -0.571 0.000 1.105 142 F CA 2.206 59.858 58.000 -0.580 0.000 1.239 142 F CB -0.360 38.172 39.000 -0.780 0.000 0.991 142 F HN 0.279 nan 8.300 nan 0.000 0.474 143 S N -0.813 114.352 115.700 -0.892 0.000 2.501 143 S HA 0.011 4.480 4.470 -0.001 0.000 0.220 143 S C 0.849 175.215 174.600 -0.389 0.000 0.997 143 S CA -0.000 57.732 58.200 -0.780 0.000 0.919 143 S CB -0.702 62.226 63.200 -0.454 0.000 0.778 143 S HN 0.387 nan 8.310 nan 0.000 0.523 144 N N 1.913 120.472 118.700 -0.234 0.000 2.469 144 N HA 0.272 5.011 4.740 -0.001 0.000 0.239 144 N C 0.479 176.000 175.510 0.019 0.000 1.053 144 N CA -0.239 52.811 53.050 0.001 0.000 0.937 144 N CB 0.497 39.131 38.487 0.244 0.000 1.163 144 N HN 0.353 nan 8.380 nan 0.000 0.509 145 L N 1.602 122.807 121.223 -0.029 0.000 2.465 145 L HA -0.038 4.302 4.340 -0.001 0.000 0.224 145 L C 1.752 178.714 176.870 0.154 0.000 1.145 145 L CA 0.398 55.261 54.840 0.038 0.000 0.834 145 L CB -0.096 41.981 42.059 0.030 0.000 0.944 145 L HN 0.405 nan 8.230 nan 0.000 0.451 146 S N -1.519 114.225 115.700 0.073 0.000 2.515 146 S HA -0.039 4.431 4.470 -0.001 0.000 0.231 146 S C 0.340 174.895 174.600 -0.075 0.000 0.987 146 S CA 0.481 58.683 58.200 0.003 0.000 0.936 146 S CB -0.213 62.998 63.200 0.018 0.000 0.766 146 S HN 0.234 nan 8.310 nan 0.000 0.528 147 Y N 0.446 120.695 120.300 -0.085 0.000 2.299 147 Y HA 0.339 4.888 4.550 -0.001 0.000 0.326 147 Y C 0.166 175.975 175.900 -0.151 0.000 1.164 147 Y CA -1.140 56.792 58.100 -0.281 0.000 1.234 147 Y CB 0.314 38.608 38.460 -0.275 0.000 1.219 147 Y HN 0.043 nan 8.280 nan 0.000 0.497 148 Y N 1.048 121.386 120.300 0.064 0.000 2.497 148 Y HA 0.070 4.620 4.550 -0.001 0.000 0.334 148 Y C 1.040 176.967 175.900 0.044 0.000 1.199 148 Y CA 0.032 58.187 58.100 0.092 0.000 1.425 148 Y CB 0.526 39.002 38.460 0.027 0.000 1.291 148 Y HN 0.544 nan 8.280 nan 0.000 0.562 149 T N 3.397 118.069 114.554 0.196 0.000 2.788 149 T HA 0.450 4.799 4.350 -0.001 0.000 0.280 149 T C -0.343 174.410 174.700 0.089 0.000 0.984 149 T CA -0.720 61.422 62.100 0.070 0.000 0.972 149 T CB 0.359 69.228 68.868 0.001 0.000 1.039 149 T HN 0.444 nan 8.240 nan 0.000 0.530 150 R N 1.004 121.558 120.500 0.091 0.000 2.532 150 R HA 0.547 4.887 4.340 -0.001 0.000 0.297 150 R C 0.626 177.047 176.300 0.202 0.000 0.984 150 R CA -0.460 55.711 56.100 0.117 0.000 0.884 150 R CB 1.445 31.802 30.300 0.096 0.000 1.182 150 R HN 0.723 nan 8.270 nan 0.000 0.442 151 A N 3.730 126.710 122.820 0.267 0.000 2.014 151 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 151 A C 0.661 178.371 177.584 0.211 0.000 1.163 151 A CA 0.996 53.236 52.037 0.339 0.000 0.652 151 A CB 0.203 19.598 19.000 0.658 0.000 0.808 151 A HN 0.478 nan 8.150 nan 0.000 0.449 152 L N 0.339 121.640 121.223 0.129 0.000 2.386 152 L HA 0.381 4.720 4.340 -0.001 0.000 0.271 152 L C -2.577 174.194 176.870 -0.165 0.000 0.993 152 L CA -2.553 52.206 54.840 -0.135 0.000 0.819 152 L CB 2.599 44.363 42.059 -0.492 0.000 1.294 152 L HN -0.020 nan 8.230 nan 0.000 0.414 153 P HA 0.142 nan 4.420 nan 0.000 0.269 153 P C -2.658 174.515 177.300 -0.212 0.000 1.215 153 P CA -1.239 61.623 63.100 -0.397 0.000 0.780 153 P CB -0.340 30.907 31.700 -0.754 0.000 0.898 154 P HA -0.008 nan 4.420 nan 0.000 0.270 154 P C -0.175 177.079 177.300 -0.077 0.000 1.223 154 P CA 0.070 63.147 63.100 -0.040 0.000 0.785 154 P CB 0.295 32.001 31.700 0.011 0.000 0.923 155 V N 1.628 121.522 119.914 -0.033 0.000 2.655 155 V HA 0.147 4.266 4.120 -0.001 0.000 0.300 155 V C 1.228 177.297 176.094 -0.042 0.000 1.044 155 V CA -0.030 62.239 62.300 -0.053 0.000 1.095 155 V CB -0.101 31.716 31.823 -0.010 0.000 0.952 155 V HN 0.749 nan 8.190 nan 0.000 0.485 156 A N 3.520 126.292 122.820 -0.079 0.000 2.445 156 A HA 0.155 4.474 4.320 -0.001 0.000 0.242 156 A C 1.120 178.724 177.584 0.035 0.000 1.075 156 A CA -0.298 51.721 52.037 -0.030 0.000 0.777 156 A CB -0.017 18.943 19.000 -0.067 0.000 1.013 156 A HN 0.902 nan 8.150 nan 0.000 0.493 157 D N 0.538 120.978 120.400 0.066 0.000 2.218 157 D HA -0.124 4.516 4.640 -0.001 0.000 0.204 157 D C 0.761 177.106 176.300 0.075 0.000 0.976 157 D CA 1.784 55.825 54.000 0.069 0.000 0.853 157 D CB -0.016 40.827 40.800 0.073 0.000 0.939 157 D HN 0.763 nan 8.370 nan 0.000 0.481 158 D N -0.475 119.987 120.400 0.104 0.000 2.368 158 D HA -0.018 4.622 4.640 -0.001 0.000 0.218 158 D C 0.023 176.386 176.300 0.104 0.000 1.112 158 D CA -0.432 53.637 54.000 0.115 0.000 0.834 158 D CB -0.934 39.958 40.800 0.152 0.000 0.953 158 D HN -0.033 nan 8.370 nan 0.000 0.505 159 c N 2.472 121.101 118.600 0.050 0.000 2.662 159 c HA 0.138 4.707 4.570 -0.001 0.000 0.420 159 c C -0.332 173.706 174.090 -0.087 0.000 1.314 159 c CA -0.943 55.354 56.329 -0.053 0.000 1.963 159 c CB 1.079 43.554 42.510 -0.059 0.000 2.686 159 c HN 0.309 nan 8.230 nan 0.000 0.609 160 P HA -0.049 nan 4.420 nan 0.000 0.218 160 P C 0.496 177.761 177.300 -0.060 0.000 1.149 160 P CA 1.506 64.537 63.100 -0.116 0.000 0.817 160 P CB -0.115 31.481 31.700 -0.172 0.000 0.785 161 T N -6.008 108.508 114.554 -0.064 0.000 2.924 161 T HA 0.466 4.816 4.350 -0.001 0.000 0.291 161 T C -2.350 172.347 174.700 -0.005 0.000 1.045 161 T CA -2.273 59.814 62.100 -0.020 0.000 1.015 161 T CB 2.019 70.882 68.868 -0.009 0.000 1.103 161 T HN -0.320 nan 8.240 nan 0.000 0.496 162 P HA -0.038 nan 4.420 nan 0.000 0.216 162 P C 1.363 178.689 177.300 0.043 0.000 1.150 162 P CA 1.142 64.264 63.100 0.037 0.000 0.843 162 P CB -0.000 31.733 31.700 0.055 0.000 0.787 163 M N -2.561 117.066 119.600 0.045 0.000 2.561 163 M HA 0.273 4.752 4.480 -0.001 0.000 0.238 163 M C 1.348 177.645 176.300 -0.004 0.000 1.131 163 M CA 0.704 56.028 55.300 0.040 0.000 1.046 163 M CB -0.652 31.985 32.600 0.062 0.000 1.532 163 M HN 0.100 nan 8.290 nan 0.000 0.497 164 G N 0.195 108.980 108.800 -0.026 0.000 1.676 164 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.199 164 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.199 164 G C 0.310 175.152 174.900 -0.096 0.000 1.990 164 G CA 0.295 45.357 45.100 -0.064 0.000 1.393 164 G HN 0.324 nan 8.290 nan 0.000 0.449 165 V N -1.421 118.449 119.914 -0.074 0.000 3.539 165 V HA 0.538 4.658 4.120 -0.001 0.000 0.262 165 V C 0.788 176.865 176.094 -0.029 0.000 1.381 165 V CA 1.184 63.438 62.300 -0.077 0.000 1.060 165 V CB 0.184 31.970 31.823 -0.061 0.000 0.842 165 V HN 0.390 nan 8.190 nan 0.000 0.445 166 K N 1.435 121.828 120.400 -0.010 0.000 2.126 166 K HA 0.590 4.910 4.320 -0.001 0.000 0.257 166 K C 0.710 177.331 176.600 0.034 0.000 1.007 166 K CA 0.727 57.023 56.287 0.014 0.000 0.928 166 K CB 0.857 33.367 32.500 0.017 0.000 1.013 166 K HN 0.762 nan 8.250 nan 0.000 0.473 167 G N 1.257 110.088 108.800 0.051 0.000 2.725 167 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.220 167 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.220 167 G C -0.754 174.175 174.900 0.049 0.000 1.357 167 G CA -0.607 44.536 45.100 0.072 0.000 0.866 167 G HN 0.740 nan 8.290 nan 0.000 0.548 168 N N 0.007 118.736 118.700 0.048 0.000 2.408 168 N HA 0.373 5.113 4.740 -0.001 0.000 0.260 168 N C 1.458 176.978 175.510 0.018 0.000 1.242 168 N CA -0.343 52.722 53.050 0.026 0.000 0.959 168 N CB 0.677 39.172 38.487 0.014 0.000 1.201 168 N HN 0.570 nan 8.380 nan 0.000 0.511 169 K N 0.213 120.619 120.400 0.010 0.000 2.152 169 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 169 K C -0.382 176.222 176.600 0.006 0.000 1.048 169 K CA 1.332 57.623 56.287 0.007 0.000 0.933 169 K CB 0.127 32.630 32.500 0.006 0.000 0.721 169 K HN 0.491 nan 8.250 nan 0.000 0.447 170 E N -0.204 119.996 120.200 0.000 0.000 2.266 170 E HA 0.340 4.689 4.350 -0.001 0.000 0.268 170 E C -0.507 176.081 176.600 -0.019 0.000 0.879 170 E CA -0.650 55.746 56.400 -0.006 0.000 0.762 170 E CB 1.897 31.588 29.700 -0.014 0.000 1.199 170 E HN 0.190 nan 8.360 nan 0.000 0.422 171 L N 3.043 124.257 121.223 -0.015 0.000 2.464 171 L HA 0.320 4.659 4.340 -0.001 0.000 0.264 171 L C -1.636 175.154 176.870 -0.135 0.000 1.199 171 L CA -1.549 53.260 54.840 -0.053 0.000 0.818 171 L CB 0.313 42.380 42.059 0.013 0.000 1.102 171 L HN 0.451 nan 8.230 nan 0.000 0.473 172 P HA -0.056 nan 4.420 nan 0.000 0.267 172 P C -0.811 176.388 177.300 -0.168 0.000 1.200 172 P CA -0.317 62.615 63.100 -0.281 0.000 0.772 172 P CB 0.360 31.755 31.700 -0.509 0.000 0.855 173 D N 1.665 121.998 120.400 -0.111 0.000 2.662 173 D HA -0.090 4.549 4.640 -0.001 0.000 0.233 173 D C 1.304 177.571 176.300 -0.055 0.000 1.129 173 D CA 0.558 54.518 54.000 -0.066 0.000 0.851 173 D CB 0.601 41.370 40.800 -0.052 0.000 1.152 173 D HN 0.296 nan 8.370 nan 0.000 0.507 174 S N 3.794 119.478 115.700 -0.025 0.000 2.419 174 S HA -0.239 4.231 4.470 -0.001 0.000 0.233 174 S C 1.766 176.373 174.600 0.011 0.000 1.016 174 S CA 1.217 59.421 58.200 0.006 0.000 0.974 174 S CB -0.150 63.061 63.200 0.019 0.000 0.786 174 S HN 0.651 nan 8.310 nan 0.000 0.492 175 K N 1.188 121.586 120.400 -0.003 0.000 2.057 175 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 175 K C 2.024 178.620 176.600 -0.006 0.000 1.049 175 K CA 1.503 57.788 56.287 -0.003 0.000 0.931 175 K CB -0.133 32.362 32.500 -0.009 0.000 0.714 175 K HN 0.260 nan 8.250 nan 0.000 0.440 176 E N 0.537 120.725 120.200 -0.020 0.000 2.072 176 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 176 E C 2.171 178.762 176.600 -0.015 0.000 0.985 176 E CA 1.142 57.526 56.400 -0.028 0.000 0.801 176 E CB -0.283 29.386 29.700 -0.052 0.000 0.750 176 E HN 0.173 nan 8.360 nan 0.000 0.452 177 V N 1.864 121.775 119.914 -0.005 0.000 2.287 177 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 177 V C 2.601 178.726 176.094 0.053 0.000 1.053 177 V CA 1.760 64.087 62.300 0.045 0.000 1.027 177 V CB -0.682 31.204 31.823 0.105 0.000 0.646 177 V HN 0.177 nan 8.190 nan 0.000 0.447 178 L N 0.298 121.552 121.223 0.052 0.000 1.989 178 L HA -0.224 4.115 4.340 -0.001 0.000 0.211 178 L C 2.432 179.319 176.870 0.028 0.000 1.071 178 L CA 2.174 57.046 54.840 0.052 0.000 0.749 178 L CB -0.639 41.449 42.059 0.048 0.000 0.890 178 L HN 0.377 nan 8.230 nan 0.000 0.431 179 E N -0.630 119.578 120.200 0.013 0.000 2.072 179 E HA -0.203 4.146 4.350 -0.001 0.000 0.190 179 E C 2.172 178.772 176.600 0.000 0.000 0.982 179 E CA 1.248 57.650 56.400 0.003 0.000 0.803 179 E CB -0.057 29.641 29.700 -0.004 0.000 0.755 179 E HN 0.527 nan 8.360 nan 0.000 0.453 180 K N 0.308 120.707 120.400 -0.001 0.000 2.062 180 K HA -0.084 4.235 4.320 -0.001 0.000 0.205 180 K C 2.069 178.666 176.600 -0.006 0.000 1.051 180 K CA 1.607 57.889 56.287 -0.008 0.000 0.941 180 K CB 0.287 32.777 32.500 -0.016 0.000 0.719 180 K HN 0.121 nan 8.250 nan 0.000 0.440 181 V N -2.989 116.927 119.914 0.004 0.000 3.548 181 V HA 0.176 4.296 4.120 -0.001 0.000 0.279 181 V C 1.266 177.359 176.094 -0.001 0.000 1.446 181 V CA -0.022 62.277 62.300 -0.001 0.000 1.023 181 V CB -0.048 31.776 31.823 0.001 0.000 0.820 181 V HN 0.075 nan 8.190 nan 0.000 0.438 182 L N -0.086 121.145 121.223 0.014 0.000 2.445 182 L HA 0.407 4.747 4.340 -0.001 0.000 0.207 182 L C 0.912 177.798 176.870 0.027 0.000 1.053 182 L CA 0.225 55.078 54.840 0.022 0.000 0.841 182 L CB 0.180 42.269 42.059 0.051 0.000 1.074 182 L HN 0.183 nan 8.230 nan 0.000 0.479 183 L N 1.752 122.987 121.223 0.021 0.000 2.455 183 L HA 0.083 4.423 4.340 -0.001 0.000 0.272 183 L C 0.788 177.666 176.870 0.014 0.000 1.174 183 L CA 0.036 54.886 54.840 0.017 0.000 0.869 183 L CB 0.396 42.459 42.059 0.007 0.000 1.130 183 L HN 0.216 nan 8.230 nan 0.000 0.474 184 R N 2.489 123.003 120.500 0.023 0.000 2.522 184 R HA 0.001 4.341 4.340 -0.001 0.000 0.284 184 R C 0.335 176.649 176.300 0.024 0.000 1.032 184 R CA 0.052 56.170 56.100 0.031 0.000 1.049 184 R CB 0.640 30.978 30.300 0.064 0.000 0.956 184 R HN 0.579 nan 8.270 nan 0.000 0.422 185 R N 1.325 121.836 120.500 0.019 0.000 1.921 185 R HA 0.083 4.423 4.340 -0.001 0.000 0.190 185 R C 0.046 176.367 176.300 0.035 0.000 1.595 185 R CA 0.545 56.655 56.100 0.018 0.000 1.236 185 R CB -0.242 30.061 30.300 0.005 0.000 1.010 185 R HN 0.483 nan 8.270 nan 0.000 0.482 186 E N 0.989 121.208 120.200 0.031 0.000 2.354 186 E HA 0.111 4.461 4.350 -0.001 0.000 0.269 186 E C -0.733 175.917 176.600 0.083 0.000 1.036 186 E CA -0.554 55.879 56.400 0.055 0.000 0.876 186 E CB 0.341 30.056 29.700 0.026 0.000 1.009 186 E HN 0.199 nan 8.360 nan 0.000 0.416 187 F N 2.609 122.546 119.950 -0.023 0.000 2.578 187 F HA 0.200 4.727 4.527 0.000 0.000 0.381 187 F C 0.023 175.804 175.800 -0.031 0.000 1.069 187 F CA -0.268 57.717 58.000 -0.026 0.000 1.231 187 F CB 0.110 39.092 39.000 -0.032 0.000 1.086 187 F HN 0.399 nan 8.300 nan 0.000 0.564 188 I N 9.271 129.404 120.570 -0.727 0.000 2.330 188 I HA 0.267 4.437 4.170 -0.001 0.000 0.286 188 I C -2.112 173.381 176.117 -1.040 0.000 1.025 188 I CA -2.123 58.785 61.300 -0.654 0.000 1.197 188 I CB 0.998 38.794 38.000 -0.340 0.000 1.358 188 I HN 0.453 nan 8.210 nan 0.000 0.467 189 P HA 0.029 nan 4.420 nan 0.000 0.272 189 P C -0.734 176.361 177.300 -0.343 0.000 1.223 189 P CA -0.243 62.494 63.100 -0.605 0.000 0.784 189 P CB 0.798 32.384 31.700 -0.189 0.000 0.923 190 D N 3.423 123.682 120.400 -0.234 0.000 2.371 190 D HA 0.038 4.677 4.640 -0.001 0.000 0.256 190 D C -1.201 174.986 176.300 -0.188 0.000 1.193 190 D CA -1.926 51.938 54.000 -0.226 0.000 0.881 190 D CB 0.347 41.013 40.800 -0.224 0.000 1.143 190 D HN 0.177 nan 8.370 nan 0.000 0.473 191 P HA -0.135 nan 4.420 nan 0.000 0.226 191 P C 0.770 177.970 177.300 -0.168 0.000 1.153 191 P CA 0.910 63.914 63.100 -0.161 0.000 0.777 191 P CB 0.285 31.892 31.700 -0.156 0.000 0.794 192 Q N -0.853 118.809 119.800 -0.229 0.000 2.472 192 Q HA 0.153 4.492 4.340 -0.001 0.000 0.208 192 Q C 1.115 177.032 176.000 -0.138 0.000 0.958 192 Q CA 0.570 56.218 55.803 -0.258 0.000 0.932 192 Q CB -0.347 28.118 28.738 -0.454 0.000 1.007 192 Q HN 0.265 nan 8.270 nan 0.000 0.508 193 G N 1.118 109.861 108.800 -0.097 0.000 2.147 193 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.244 193 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.244 193 G C -0.071 174.840 174.900 0.018 0.000 1.005 193 G CA 0.212 45.300 45.100 -0.020 0.000 0.713 193 G HN 0.272 nan 8.290 nan 0.000 0.515 194 S N 0.823 116.513 115.700 -0.017 0.000 2.552 194 S HA 0.387 4.856 4.470 -0.001 0.000 0.289 194 S C 0.854 175.468 174.600 0.024 0.000 1.304 194 S CA 0.517 58.679 58.200 -0.064 0.000 1.063 194 S CB 0.729 63.782 63.200 -0.247 0.000 0.848 194 S HN 0.983 nan 8.310 nan 0.000 0.499 195 N N 1.745 120.501 118.700 0.092 0.000 2.813 195 N HA 0.367 5.107 4.740 -0.001 0.000 0.320 195 N C 0.563 176.201 175.510 0.213 0.000 1.315 195 N CA -0.879 52.263 53.050 0.153 0.000 0.871 195 N CB -0.038 38.538 38.487 0.150 0.000 1.241 195 N HN 0.269 nan 8.380 nan 0.000 0.602 196 M N -0.427 119.276 119.600 0.171 0.000 2.349 196 M HA 0.117 4.596 4.480 -0.001 0.000 0.266 196 M C 1.441 177.882 176.300 0.235 0.000 1.076 196 M CA 0.907 56.229 55.300 0.038 0.000 1.126 196 M CB -0.985 31.514 32.600 -0.168 0.000 1.392 196 M HN 0.510 nan 8.290 nan 0.000 0.440 197 M N -0.988 118.870 119.600 0.429 0.000 2.117 197 M HA -0.187 4.292 4.480 -0.001 0.000 0.262 197 M C 2.258 179.047 176.300 0.815 0.000 1.065 197 M CA 1.559 57.237 55.300 0.629 0.000 1.114 197 M CB -1.433 31.464 32.600 0.494 0.000 1.361 197 M HN 0.215 nan 8.290 nan 0.000 0.408 198 F N 1.081 121.356 119.950 0.542 0.000 2.113 198 F HA -0.058 4.468 4.527 -0.000 0.000 0.297 198 F C 2.354 178.330 175.800 0.294 0.000 1.103 198 F CA 1.614 59.807 58.000 0.321 0.000 1.248 198 F CB -0.358 38.670 39.000 0.045 0.000 0.999 198 F HN 0.102 nan 8.300 nan 0.000 0.475 199 A N 0.100 123.076 122.820 0.259 0.000 1.908 199 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 199 A C 2.003 179.552 177.584 -0.058 0.000 1.181 199 A CA 1.865 53.926 52.037 0.040 0.000 0.627 199 A CB -1.483 17.454 19.000 -0.105 0.000 0.818 199 A HN 0.444 nan 8.150 nan 0.000 0.445 200 F N -1.942 118.121 119.950 0.188 0.000 2.367 200 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 200 F C 1.869 177.751 175.800 0.136 0.000 1.094 200 F CA 0.372 58.489 58.000 0.195 0.000 1.409 200 F CB -0.675 38.489 39.000 0.272 0.000 1.064 200 F HN 0.339 nan 8.300 nan 0.000 0.528 201 F N 0.611 120.638 119.950 0.128 0.000 2.146 201 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 201 F C 2.377 178.066 175.800 -0.185 0.000 1.096 201 F CA 1.295 59.112 58.000 -0.305 0.000 1.275 201 F CB -0.455 38.492 39.000 -0.088 0.000 1.008 201 F HN -0.082 nan 8.300 nan 0.000 0.480 202 A N -0.173 122.699 122.820 0.086 0.000 1.883 202 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 202 A C 2.219 179.735 177.584 -0.112 0.000 1.186 202 A CA 1.994 54.075 52.037 0.073 0.000 0.624 202 A CB -1.066 18.017 19.000 0.138 0.000 0.822 202 A HN 0.588 nan 8.150 nan 0.000 0.444 203 Q N -1.531 118.201 119.800 -0.113 0.000 2.046 203 Q HA -0.227 4.112 4.340 -0.001 0.000 0.200 203 Q C 2.197 177.933 176.000 -0.441 0.000 0.975 203 Q CA 1.565 57.195 55.803 -0.288 0.000 0.836 203 Q CB -0.325 28.301 28.738 -0.186 0.000 0.896 203 Q HN 0.889 nan 8.270 nan 0.000 0.428 204 H N -0.430 118.378 119.070 -0.435 0.000 2.293 204 H HA -0.174 4.381 4.556 -0.001 0.000 0.300 204 H C 2.000 177.150 175.328 -0.297 0.000 1.082 204 H CA 1.837 57.598 56.048 -0.478 0.000 1.308 204 H CB -0.354 29.124 29.762 -0.473 0.000 1.375 204 H HN 0.318 nan 8.280 nan 0.000 0.495 205 F N 2.049 121.646 119.950 -0.588 0.000 2.069 205 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 205 F C 2.804 178.032 175.800 -0.953 0.000 1.113 205 F CA 2.633 60.200 58.000 -0.722 0.000 1.214 205 F CB -0.938 37.596 39.000 -0.777 0.000 0.978 205 F HN 0.255 nan 8.300 nan 0.000 0.474 206 T N -2.957 110.892 114.554 -1.175 0.000 2.995 206 T HA -0.168 4.182 4.350 -0.001 0.000 0.269 206 T C 1.704 175.465 174.700 -1.564 0.000 1.091 206 T CA 1.540 62.500 62.100 -1.900 0.000 1.128 206 T CB -1.069 67.011 68.868 -1.312 0.000 0.891 206 T HN 0.567 nan 8.240 nan 0.000 0.492 207 H N 1.358 119.861 119.070 -0.945 0.000 2.556 207 H HA 0.076 4.632 4.556 -0.001 0.000 0.268 207 H C 2.468 177.417 175.328 -0.631 0.000 0.996 207 H CA 0.770 56.495 56.048 -0.538 0.000 1.157 207 H CB 0.190 29.913 29.762 -0.066 0.000 1.355 207 H HN 0.729 nan 8.280 nan 0.000 0.597 208 Q N 0.806 120.038 119.800 -0.946 0.000 2.269 208 Q HA -0.081 4.258 4.340 -0.001 0.000 0.201 208 Q C 1.069 176.686 176.000 -0.639 0.000 0.946 208 Q CA 1.114 56.403 55.803 -0.857 0.000 0.877 208 Q CB -0.117 27.899 28.738 -1.203 0.000 0.963 208 Q HN 0.497 nan 8.270 nan 0.000 0.472 209 F N -2.486 117.050 119.950 -0.689 0.000 2.746 209 F HA 0.470 4.996 4.527 -0.001 0.000 0.313 209 F C -0.240 175.303 175.800 -0.428 0.000 1.095 209 F CA -1.220 56.425 58.000 -0.592 0.000 1.224 209 F CB 0.304 38.927 39.000 -0.628 0.000 1.060 209 F HN -0.216 nan 8.300 nan 0.000 0.584 210 F N 3.608 123.339 119.950 -0.365 0.000 2.313 210 F HA 0.522 5.049 4.527 -0.001 0.000 0.369 210 F C 0.043 175.657 175.800 -0.310 0.000 1.109 210 F CA -1.613 56.238 58.000 -0.248 0.000 1.132 210 F CB 0.765 39.490 39.000 -0.459 0.000 1.291 210 F HN -0.043 nan 8.300 nan 0.000 0.496 211 K N 2.225 122.646 120.400 0.035 0.000 2.992 211 K HA 0.191 4.510 4.320 -0.001 0.000 0.178 211 K C -0.489 176.073 176.600 -0.062 0.000 1.122 211 K CA -0.303 55.927 56.287 -0.094 0.000 0.926 211 K CB 1.157 33.554 32.500 -0.171 0.000 1.121 211 K HN 0.373 nan 8.250 nan 0.000 0.610 212 T N 1.352 115.902 114.554 -0.006 0.000 2.902 212 T HA -0.052 4.298 4.350 -0.001 0.000 0.301 212 T C 0.160 174.754 174.700 -0.177 0.000 1.012 212 T CA 0.345 62.395 62.100 -0.082 0.000 1.151 212 T CB 0.422 69.159 68.868 -0.219 0.000 0.946 212 T HN 0.251 nan 8.240 nan 0.000 0.542 213 D N 1.331 121.621 120.400 -0.183 0.000 2.494 213 D HA 0.110 4.749 4.640 -0.001 0.000 0.217 213 D C 0.794 177.006 176.300 -0.147 0.000 1.153 213 D CA -0.303 53.614 54.000 -0.140 0.000 0.954 213 D CB 0.046 40.766 40.800 -0.133 0.000 1.034 213 D HN 0.589 nan 8.370 nan 0.000 0.518 214 H N 0.642 119.698 119.070 -0.022 0.000 2.559 214 H HA -0.043 4.512 4.556 -0.001 0.000 0.273 214 H C 1.864 177.164 175.328 -0.046 0.000 1.000 214 H CA 0.673 56.712 56.048 -0.015 0.000 1.195 214 H CB 0.661 30.419 29.762 -0.006 0.000 1.368 214 H HN 0.077 nan 8.280 nan 0.000 0.592 215 K N 0.098 120.501 120.400 0.005 0.000 2.097 215 K HA -0.019 4.300 4.320 -0.001 0.000 0.205 215 K C 2.047 178.570 176.600 -0.128 0.000 1.050 215 K CA 1.200 57.454 56.287 -0.054 0.000 0.938 215 K CB 0.005 32.457 32.500 -0.079 0.000 0.718 215 K HN 0.487 nan 8.250 nan 0.000 0.442 216 R N -1.327 119.037 120.500 -0.227 0.000 2.105 216 R HA 0.262 4.601 4.340 -0.001 0.000 0.214 216 R C 1.101 177.237 176.300 -0.274 0.000 1.091 216 R CA 0.814 56.633 56.100 -0.467 0.000 1.007 216 R CB 0.608 30.294 30.300 -1.024 0.000 0.912 216 R HN 0.410 nan 8.270 nan 0.000 0.450 217 G N -0.277 108.496 108.800 -0.046 0.000 2.359 217 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.314 217 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.314 217 G C -2.562 172.414 174.900 0.126 0.000 1.364 217 G CA -0.911 44.267 45.100 0.130 0.000 0.978 217 G HN -0.221 nan 8.290 nan 0.000 0.615 218 P HA 0.006 nan 4.420 nan 0.000 0.222 218 P C 1.600 178.964 177.300 0.106 0.000 1.147 218 P CA 1.747 64.861 63.100 0.023 0.000 0.790 218 P CB 0.008 31.736 31.700 0.047 0.000 0.780 219 G N -1.960 106.913 108.800 0.123 0.000 3.088 219 G HA2 0.133 4.093 3.960 -0.001 0.000 0.212 219 G HA3 0.133 4.093 3.960 -0.001 0.000 0.212 219 G C -0.058 174.730 174.900 -0.186 0.000 1.173 219 G CA -0.113 45.004 45.100 0.028 0.000 0.779 219 G HN 0.161 nan 8.290 nan 0.000 0.540 220 F N -0.665 119.248 119.950 -0.062 0.000 2.522 220 F HA 0.617 5.143 4.527 -0.001 0.000 0.324 220 F C 0.336 175.840 175.800 -0.493 0.000 1.077 220 F CA -0.793 57.021 58.000 -0.310 0.000 0.944 220 F CB 2.592 41.397 39.000 -0.326 0.000 1.175 220 F HN -0.161 nan 8.300 nan 0.000 0.468 221 T N 1.279 115.519 114.554 -0.525 0.000 2.924 221 T HA 0.412 4.762 4.350 -0.001 0.000 0.291 221 T C 0.614 175.109 174.700 -0.341 0.000 1.045 221 T CA -0.682 61.036 62.100 -0.636 0.000 1.015 221 T CB 1.236 69.407 68.868 -1.162 0.000 1.103 221 T HN 0.628 nan 8.240 nan 0.000 0.496 222 R N 1.810 122.146 120.500 -0.274 0.000 2.312 222 R HA 0.206 4.545 4.340 -0.001 0.000 0.205 222 R C 1.193 177.357 176.300 -0.227 0.000 0.904 222 R CA 0.037 56.013 56.100 -0.207 0.000 1.052 222 R CB 0.247 30.451 30.300 -0.160 0.000 1.014 222 R HN 0.648 nan 8.270 nan 0.000 0.503 223 G N 1.655 110.273 108.800 -0.303 0.000 3.064 223 G HA2 0.243 4.202 3.960 -0.001 0.000 0.286 223 G HA3 0.243 4.202 3.960 -0.001 0.000 0.286 223 G C 0.845 175.498 174.900 -0.412 0.000 0.834 223 G CA -0.390 44.525 45.100 -0.309 0.000 1.856 223 G HN 0.116 nan 8.290 nan 0.000 0.559 224 L N 1.508 122.581 121.223 -0.249 0.000 2.465 224 L HA 0.063 4.402 4.340 -0.001 0.000 0.224 224 L C 2.647 179.512 176.870 -0.009 0.000 1.145 224 L CA 0.725 55.482 54.840 -0.140 0.000 0.834 224 L CB 0.127 42.150 42.059 -0.060 0.000 0.944 224 L HN 0.515 nan 8.230 nan 0.000 0.451 225 G N -2.198 106.565 108.800 -0.062 0.000 2.572 225 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.216 225 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.216 225 G C 0.586 175.524 174.900 0.064 0.000 1.133 225 G CA -0.132 44.971 45.100 0.006 0.000 0.791 225 G HN 0.565 nan 8.290 nan 0.000 0.538 226 H N -0.403 118.632 119.070 -0.059 0.000 2.692 226 H HA -0.162 4.394 4.556 -0.001 0.000 0.316 226 H C 1.140 176.410 175.328 -0.097 0.000 1.176 226 H CA 1.098 57.111 56.048 -0.058 0.000 1.142 226 H CB -1.396 28.329 29.762 -0.062 0.000 1.475 226 H HN 0.828 nan 8.280 nan 0.000 0.423 227 G N -1.669 107.104 108.800 -0.045 0.000 2.404 227 G HA2 0.188 4.147 3.960 -0.001 0.000 0.253 227 G HA3 0.188 4.147 3.960 -0.001 0.000 0.253 227 G C -0.826 174.058 174.900 -0.027 0.000 1.253 227 G CA -0.274 44.749 45.100 -0.129 0.000 0.917 227 G HN 0.184 nan 8.290 nan 0.000 0.480 228 V N 2.490 122.404 119.914 -0.000 0.000 2.222 228 V HA 0.293 4.413 4.120 -0.001 0.000 0.253 228 V C 0.430 176.558 176.094 0.057 0.000 1.210 228 V CA 0.808 63.141 62.300 0.055 0.000 1.079 228 V CB 0.256 32.175 31.823 0.160 0.000 1.265 228 V HN 0.761 nan 8.190 nan 0.000 0.494 229 D N 2.734 123.150 120.400 0.027 0.000 2.398 229 D HA 0.061 4.701 4.640 -0.001 0.000 0.210 229 D C 0.864 177.241 176.300 0.129 0.000 1.094 229 D CA -0.479 53.560 54.000 0.065 0.000 0.839 229 D CB 0.252 41.075 40.800 0.038 0.000 0.963 229 D HN 0.214 nan 8.370 nan 0.000 0.506 230 L N 0.846 122.133 121.223 0.106 0.000 3.843 230 L HA -0.307 4.032 4.340 -0.001 0.000 0.411 230 L C 1.006 178.039 176.870 0.272 0.000 1.205 230 L CA 0.846 55.825 54.840 0.233 0.000 0.945 230 L CB -2.927 39.277 42.059 0.242 0.000 1.929 230 L HN 0.387 nan 8.230 nan 0.000 0.934 231 N N -0.820 117.965 118.700 0.141 0.000 2.348 231 N HA -0.211 4.528 4.740 -0.001 0.000 0.185 231 N C 1.692 177.209 175.510 0.010 0.000 1.019 231 N CA 1.749 54.842 53.050 0.073 0.000 0.880 231 N CB -0.312 38.158 38.487 -0.027 0.000 0.965 231 N HN 0.732 nan 8.380 nan 0.000 0.437 232 H N -0.723 118.183 119.070 -0.272 0.000 2.546 232 H HA 0.110 4.666 4.556 -0.001 0.000 0.277 232 H C 1.452 176.611 175.328 -0.283 0.000 1.004 232 H CA 0.756 56.559 56.048 -0.407 0.000 1.231 232 H CB -0.374 29.091 29.762 -0.495 0.000 1.382 232 H HN 0.436 nan 8.280 nan 0.000 0.580 233 I N -0.936 119.405 120.570 -0.382 0.000 3.039 233 I HA -0.056 4.114 4.170 -0.001 0.000 0.270 233 I C 1.255 177.120 176.117 -0.420 0.000 1.150 233 I CA 0.217 61.212 61.300 -0.507 0.000 1.448 233 I CB 0.076 37.581 38.000 -0.825 0.000 1.197 233 I HN -0.020 nan 8.210 nan 0.000 0.450 234 Y N 1.255 121.551 120.300 -0.007 0.000 2.478 234 Y HA 0.462 5.012 4.550 -0.001 0.000 0.261 234 Y C 1.169 177.084 175.900 0.025 0.000 1.127 234 Y CA 0.057 58.187 58.100 0.051 0.000 1.288 234 Y CB -0.058 38.485 38.460 0.138 0.000 1.084 234 Y HN 0.125 nan 8.280 nan 0.000 0.530 235 G N 0.832 109.685 108.800 0.088 0.000 2.719 235 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.686 235 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.686 235 G C 0.132 175.048 174.900 0.026 0.000 1.201 235 G CA -0.100 45.016 45.100 0.027 0.000 0.768 235 G HN 0.186 nan 8.290 nan 0.000 0.629 236 E N -0.369 119.814 120.200 -0.029 0.000 2.107 236 E HA 0.122 4.472 4.350 -0.001 0.000 0.191 236 E C 1.802 178.384 176.600 -0.030 0.000 0.982 236 E CA 2.180 58.555 56.400 -0.042 0.000 0.809 236 E CB 0.071 29.722 29.700 -0.081 0.000 0.756 236 E HN 1.183 nan 8.360 nan 0.000 0.459 237 T N -2.326 112.209 114.554 -0.033 0.000 2.950 237 T HA 0.284 4.633 4.350 -0.001 0.000 0.288 237 T C 0.883 175.550 174.700 -0.056 0.000 1.035 237 T CA -0.629 61.445 62.100 -0.043 0.000 1.028 237 T CB 1.244 70.082 68.868 -0.050 0.000 1.109 237 T HN 0.043 nan 8.240 nan 0.000 0.514 238 L N 0.720 121.883 121.223 -0.099 0.000 2.093 238 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 238 L C 1.991 178.696 176.870 -0.274 0.000 1.085 238 L CA 1.865 56.578 54.840 -0.212 0.000 0.755 238 L CB -0.985 40.920 42.059 -0.257 0.000 0.904 238 L HN 0.750 nan 8.230 nan 0.000 0.435 239 D N -0.492 119.817 120.400 -0.152 0.000 2.092 239 D HA -0.252 4.388 4.640 -0.001 0.000 0.193 239 D C 2.280 178.577 176.300 -0.005 0.000 0.994 239 D CA 1.439 55.397 54.000 -0.069 0.000 0.828 239 D CB -0.074 40.703 40.800 -0.038 0.000 0.963 239 D HN 0.322 nan 8.370 nan 0.000 0.450 240 R N 0.601 121.093 120.500 -0.014 0.000 2.081 240 R HA -0.132 4.208 4.340 -0.001 0.000 0.235 240 R C 2.290 178.613 176.300 0.038 0.000 1.131 240 R CA 1.363 57.469 56.100 0.011 0.000 0.960 240 R CB -0.124 30.171 30.300 -0.007 0.000 0.856 240 R HN 0.188 nan 8.270 nan 0.000 0.436 241 Q N -0.245 119.575 119.800 0.033 0.000 2.061 241 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 241 Q C 1.696 177.741 176.000 0.076 0.000 0.984 241 Q CA 1.941 57.781 55.803 0.062 0.000 0.846 241 Q CB -0.180 28.593 28.738 0.058 0.000 0.902 241 Q HN 0.667 nan 8.270 nan 0.000 0.421 242 H N -0.464 118.595 119.070 -0.018 0.000 2.421 242 H HA -0.058 4.497 4.556 -0.001 0.000 0.298 242 H C 1.989 177.392 175.328 0.125 0.000 1.087 242 H CA 1.029 57.136 56.048 0.098 0.000 1.330 242 H CB 0.303 30.205 29.762 0.233 0.000 1.388 242 H HN 0.222 nan 8.280 nan 0.000 0.526 243 K N 0.530 121.042 120.400 0.186 0.000 2.217 243 K HA -0.054 4.265 4.320 -0.001 0.000 0.202 243 K C 1.904 178.545 176.600 0.068 0.000 1.051 243 K CA 0.590 56.947 56.287 0.118 0.000 0.952 243 K CB 0.192 32.738 32.500 0.077 0.000 0.736 243 K HN 0.235 nan 8.250 nan 0.000 0.453 244 L N 0.335 121.582 121.223 0.040 0.000 2.341 244 L HA -0.009 4.330 4.340 -0.001 0.000 0.214 244 L C 0.809 177.658 176.870 -0.035 0.000 1.115 244 L CA 0.334 55.187 54.840 0.020 0.000 0.820 244 L CB 0.002 42.084 42.059 0.038 0.000 0.944 244 L HN 0.023 nan 8.230 nan 0.000 0.452 245 R N -0.114 120.281 120.500 -0.174 0.000 2.459 245 R HA 0.114 4.453 4.340 -0.001 0.000 0.281 245 R C 0.806 176.935 176.300 -0.285 0.000 1.050 245 R CA -0.461 55.402 56.100 -0.395 0.000 1.055 245 R CB 1.297 30.977 30.300 -1.034 0.000 1.045 245 R HN -0.079 nan 8.270 nan 0.000 0.495 246 L N 2.801 123.930 121.223 -0.157 0.000 2.240 246 L HA 0.061 4.400 4.340 -0.001 0.000 0.211 246 L C 0.132 177.049 176.870 0.079 0.000 1.106 246 L CA 1.277 56.119 54.840 0.003 0.000 0.793 246 L CB -0.206 41.908 42.059 0.092 0.000 0.927 246 L HN 0.790 nan 8.230 nan 0.000 0.446 247 F N -0.641 119.302 119.950 -0.012 0.000 3.034 247 F HA -0.293 4.234 4.527 -0.001 0.000 0.286 247 F C 0.741 176.550 175.800 0.016 0.000 0.804 247 F CA 1.316 59.294 58.000 -0.038 0.000 1.161 247 F CB -1.739 37.206 39.000 -0.092 0.000 1.317 247 F HN 0.220 nan 8.300 nan 0.000 0.453 248 K N 0.479 120.972 120.400 0.156 0.000 2.482 248 K HA 0.416 4.736 4.320 -0.001 0.000 0.251 248 K C 0.114 176.805 176.600 0.153 0.000 0.936 248 K CA -0.377 55.998 56.287 0.147 0.000 0.791 248 K CB 1.261 33.839 32.500 0.130 0.000 1.213 248 K HN -0.009 nan 8.250 nan 0.000 0.428 249 D N 2.931 123.424 120.400 0.154 0.000 2.983 249 D HA -0.202 4.437 4.640 -0.001 0.000 0.225 249 D C 0.675 177.091 176.300 0.194 0.000 1.174 249 D CA 1.894 55.992 54.000 0.163 0.000 0.831 249 D CB -1.257 39.629 40.800 0.143 0.000 1.104 249 D HN 1.092 nan 8.370 nan 0.000 0.421 250 G N -0.682 108.248 108.800 0.217 0.000 2.184 250 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.264 250 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.264 250 G C 0.406 175.580 174.900 0.457 0.000 0.975 250 G CA 0.896 46.185 45.100 0.315 0.000 0.642 250 G HN 0.510 nan 8.290 nan 0.000 0.536 251 K N -0.396 120.201 120.400 0.328 0.000 2.138 251 K HA 0.625 4.944 4.320 -0.001 0.000 0.251 251 K C 0.717 177.504 176.600 0.312 0.000 1.015 251 K CA -0.502 56.020 56.287 0.392 0.000 0.917 251 K CB 0.770 33.448 32.500 0.297 0.000 1.021 251 K HN 0.184 nan 8.250 nan 0.000 0.485 252 L N 2.041 123.461 121.223 0.328 0.000 2.357 252 L HA 0.252 4.591 4.340 -0.001 0.000 0.273 252 L C 0.357 177.379 176.870 0.254 0.000 1.080 252 L CA -0.564 54.387 54.840 0.185 0.000 0.803 252 L CB 1.003 43.139 42.059 0.127 0.000 1.174 252 L HN 0.446 nan 8.230 nan 0.000 0.443 253 K N 1.985 122.475 120.400 0.150 0.000 2.469 253 K HA 0.198 4.518 4.320 -0.001 0.000 0.274 253 K C -1.115 175.625 176.600 0.234 0.000 0.983 253 K CA 0.456 56.813 56.287 0.117 0.000 0.974 253 K CB 0.473 32.994 32.500 0.034 0.000 0.913 253 K HN 0.440 nan 8.250 nan 0.000 0.493 254 Y N -2.118 118.231 120.300 0.081 0.000 2.705 254 Y HA 0.284 4.834 4.550 -0.001 0.000 0.332 254 Y C -1.250 174.711 175.900 0.101 0.000 1.221 254 Y CA -1.400 56.760 58.100 0.100 0.000 1.059 254 Y CB 0.985 39.497 38.460 0.086 0.000 1.298 254 Y HN 0.589 nan 8.280 nan 0.000 0.459 255 Q N 0.541 120.509 119.800 0.280 0.000 2.458 255 Q HA 0.839 5.179 4.340 -0.001 0.000 0.282 255 Q C -1.951 174.251 176.000 0.336 0.000 1.106 255 Q CA -1.339 54.579 55.803 0.192 0.000 0.814 255 Q CB 2.998 31.822 28.738 0.143 0.000 1.425 255 Q HN 0.599 nan 8.270 nan 0.000 0.437 256 V N 2.351 122.409 119.914 0.239 0.000 2.378 256 V HA 0.448 4.567 4.120 -0.001 0.000 0.288 256 V C -0.563 175.649 176.094 0.197 0.000 1.016 256 V CA -0.512 61.925 62.300 0.228 0.000 0.840 256 V CB 0.994 32.927 31.823 0.183 0.000 0.994 256 V HN 0.649 nan 8.190 nan 0.000 0.431 257 I N 3.790 124.525 120.570 0.274 0.000 2.382 257 I HA 0.570 4.739 4.170 -0.001 0.000 0.286 257 I C 1.109 177.341 176.117 0.192 0.000 1.002 257 I CA -0.480 60.949 61.300 0.215 0.000 1.135 257 I CB 1.625 39.747 38.000 0.203 0.000 1.288 257 I HN 0.817 nan 8.210 nan 0.000 0.448 258 G N 4.387 113.253 108.800 0.110 0.000 2.323 258 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.292 258 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.292 258 G C 1.007 175.950 174.900 0.071 0.000 1.040 258 G CA 0.634 45.782 45.100 0.080 0.000 0.942 258 G HN 1.515 nan 8.290 nan 0.000 0.506 259 G N -1.818 107.023 108.800 0.068 0.000 2.184 259 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.264 259 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.264 259 G C 0.111 175.022 174.900 0.019 0.000 0.975 259 G CA 0.901 46.026 45.100 0.042 0.000 0.642 259 G HN 0.929 nan 8.290 nan 0.000 0.536 260 E N -0.065 120.157 120.200 0.037 0.000 2.191 260 E HA 0.524 4.873 4.350 -0.001 0.000 0.274 260 E C 0.049 176.563 176.600 -0.142 0.000 0.948 260 E CA -0.711 55.633 56.400 -0.093 0.000 0.802 260 E CB 2.305 31.938 29.700 -0.112 0.000 1.137 260 E HN 0.101 nan 8.360 nan 0.000 0.397 261 V N 4.156 123.902 119.914 -0.281 0.000 2.432 261 V HA 0.173 4.292 4.120 -0.001 0.000 0.271 261 V C -0.649 175.208 176.094 -0.394 0.000 1.046 261 V CA 0.013 62.197 62.300 -0.192 0.000 0.945 261 V CB -0.368 31.319 31.823 -0.227 0.000 0.992 261 V HN 0.507 nan 8.190 nan 0.000 0.471 262 Y N 4.845 125.212 120.300 0.113 0.000 2.633 262 Y HA 0.535 5.085 4.550 -0.001 0.000 0.339 262 Y C -2.245 173.774 175.900 0.197 0.000 1.045 262 Y CA -2.765 55.389 58.100 0.090 0.000 1.098 262 Y CB 1.765 40.312 38.460 0.146 0.000 1.296 262 Y HN 0.418 nan 8.280 nan 0.000 0.494 263 P HA 0.051 nan 4.420 nan 0.000 0.270 263 P C -2.514 175.030 177.300 0.406 0.000 1.223 263 P CA -0.768 62.540 63.100 0.347 0.000 0.785 263 P CB 0.000 31.883 31.700 0.304 0.000 0.923 264 P HA 0.069 nan 4.420 nan 0.000 0.277 264 P C -0.344 177.007 177.300 0.086 0.000 1.276 264 P CA -0.031 63.152 63.100 0.139 0.000 0.788 264 P CB 0.064 31.811 31.700 0.078 0.000 1.114 265 T N -3.386 111.152 114.554 -0.027 0.000 2.874 265 T HA 0.200 4.550 4.350 -0.001 0.000 0.281 265 T C 1.448 176.124 174.700 -0.039 0.000 0.994 265 T CA -0.638 61.400 62.100 -0.103 0.000 1.015 265 T CB -0.007 68.755 68.868 -0.178 0.000 1.028 265 T HN 0.068 nan 8.240 nan 0.000 0.523 266 V N 1.303 121.189 119.914 -0.047 0.000 2.332 266 V HA -0.122 3.997 4.120 -0.001 0.000 0.248 266 V C 2.799 178.875 176.094 -0.029 0.000 1.055 266 V CA 2.310 64.603 62.300 -0.011 0.000 1.038 266 V CB -0.986 30.835 31.823 -0.003 0.000 0.651 266 V HN 0.995 nan 8.190 nan 0.000 0.450 267 K N 0.801 121.164 120.400 -0.061 0.000 2.057 267 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 267 K C 1.868 178.444 176.600 -0.040 0.000 1.049 267 K CA 2.105 58.359 56.287 -0.055 0.000 0.931 267 K CB -0.585 31.869 32.500 -0.077 0.000 0.714 267 K HN 0.479 nan 8.250 nan 0.000 0.440 268 D N -1.096 119.279 120.400 -0.041 0.000 2.144 268 D HA -0.105 4.535 4.640 -0.001 0.000 0.200 268 D C 1.551 177.846 176.300 -0.009 0.000 0.978 268 D CA 1.910 55.893 54.000 -0.029 0.000 0.833 268 D CB -0.089 40.690 40.800 -0.034 0.000 0.961 268 D HN 0.466 nan 8.370 nan 0.000 0.470 269 T N -4.173 110.382 114.554 0.002 0.000 3.037 269 T HA 0.042 4.391 4.350 -0.001 0.000 0.252 269 T C 0.796 175.509 174.700 0.021 0.000 1.073 269 T CA 0.119 62.231 62.100 0.020 0.000 1.091 269 T CB 0.228 69.116 68.868 0.033 0.000 0.935 269 T HN 0.015 nan 8.240 nan 0.000 0.488 270 Q N -0.155 119.651 119.800 0.010 0.000 2.489 270 Q HA -0.117 4.222 4.340 -0.001 0.000 0.259 270 Q C -0.349 175.660 176.000 0.015 0.000 0.934 270 Q CA 0.336 56.144 55.803 0.009 0.000 1.131 270 Q CB -2.716 26.027 28.738 0.009 0.000 1.472 270 Q HN 0.565 nan 8.270 nan 0.000 0.560 271 V N 1.729 121.657 119.914 0.023 0.000 2.461 271 V HA 0.083 4.202 4.120 -0.001 0.000 0.275 271 V C 1.031 177.142 176.094 0.028 0.000 1.047 271 V CA 0.064 62.379 62.300 0.025 0.000 0.955 271 V CB 1.247 33.091 31.823 0.035 0.000 0.988 271 V HN 0.108 nan 8.190 nan 0.000 0.471 272 E N 5.479 125.687 120.200 0.014 0.000 2.316 272 E HA 0.338 4.687 4.350 -0.001 0.000 0.275 272 E C -0.524 176.084 176.600 0.013 0.000 1.029 272 E CA -0.172 56.236 56.400 0.013 0.000 0.871 272 E CB 0.826 30.522 29.700 -0.006 0.000 1.022 272 E HN 0.422 nan 8.360 nan 0.000 0.418 273 M N 2.258 121.882 119.600 0.041 0.000 2.619 273 M HA 0.408 4.887 4.480 -0.001 0.000 0.297 273 M C -0.713 175.557 176.300 -0.050 0.000 1.229 273 M CA -1.016 54.286 55.300 0.003 0.000 0.860 273 M CB 1.697 34.383 32.600 0.143 0.000 1.741 273 M HN 0.340 nan 8.290 nan 0.000 0.462 274 I N 2.489 122.938 120.570 -0.202 0.000 2.301 274 I HA 0.322 4.491 4.170 -0.001 0.000 0.292 274 I C -1.111 174.763 176.117 -0.404 0.000 1.046 274 I CA -0.188 60.992 61.300 -0.200 0.000 1.282 274 I CB -0.782 37.131 38.000 -0.144 0.000 1.409 274 I HN 0.502 nan 8.210 nan 0.000 0.484 275 Y N 5.792 126.042 120.300 -0.084 0.000 2.534 275 Y HA 0.473 5.022 4.550 -0.001 0.000 0.345 275 Y C -2.098 173.649 175.900 -0.254 0.000 1.031 275 Y CA -2.270 55.739 58.100 -0.151 0.000 1.022 275 Y CB 1.560 39.945 38.460 -0.125 0.000 1.292 275 Y HN 0.438 nan 8.280 nan 0.000 0.459 276 P HA 0.127 nan 4.420 nan 0.000 0.269 276 P C -2.159 174.946 177.300 -0.325 0.000 1.209 276 P CA -1.050 61.818 63.100 -0.386 0.000 0.776 276 P CB 0.453 31.731 31.700 -0.703 0.000 0.876 277 P HA -0.183 nan 4.420 nan 0.000 0.219 277 P C 0.946 178.187 177.300 -0.098 0.000 1.146 277 P CA 1.473 64.509 63.100 -0.107 0.000 0.808 277 P CB -0.383 31.295 31.700 -0.036 0.000 0.779 278 H N -2.607 116.441 119.070 -0.036 0.000 2.555 278 H HA 0.082 4.637 4.556 -0.001 0.000 0.269 278 H C 0.650 175.953 175.328 -0.041 0.000 0.988 278 H CA -0.157 55.873 56.048 -0.030 0.000 1.178 278 H CB -0.898 28.857 29.762 -0.011 0.000 1.373 278 H HN -0.015 nan 8.280 nan 0.000 0.588 279 I N 3.483 123.877 120.570 -0.293 0.000 2.505 279 I HA 0.113 4.283 4.170 -0.001 0.000 0.287 279 I C -2.121 173.884 176.117 -0.186 0.000 1.104 279 I CA -2.779 58.397 61.300 -0.206 0.000 1.387 279 I CB 0.183 38.006 38.000 -0.294 0.000 1.404 279 I HN 0.150 nan 8.210 nan 0.000 0.528 280 P HA 0.110 nan 4.420 nan 0.000 0.271 280 P C 1.066 178.231 177.300 -0.225 0.000 1.218 280 P CA -0.152 62.862 63.100 -0.144 0.000 0.780 280 P CB 0.716 32.353 31.700 -0.105 0.000 0.901 281 E N 1.414 121.497 120.200 -0.194 0.000 2.114 281 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 281 E C 1.710 178.138 176.600 -0.286 0.000 1.008 281 E CA 1.889 58.158 56.400 -0.219 0.000 0.810 281 E CB -1.187 28.421 29.700 -0.153 0.000 0.739 281 E HN 0.711 nan 8.360 nan 0.000 0.456 282 N N 0.574 119.116 118.700 -0.265 0.000 2.381 282 N HA -0.121 4.618 4.740 -0.001 0.000 0.182 282 N C 1.561 176.757 175.510 -0.523 0.000 1.025 282 N CA 1.056 53.911 53.050 -0.324 0.000 0.888 282 N CB -0.249 38.104 38.487 -0.223 0.000 0.965 282 N HN 0.359 nan 8.380 nan 0.000 0.438 283 L N -0.288 120.650 121.223 -0.475 0.000 2.607 283 L HA 0.180 4.520 4.340 -0.001 0.000 0.228 283 L C 0.404 176.885 176.870 -0.648 0.000 1.123 283 L CA 0.003 54.532 54.840 -0.518 0.000 0.890 283 L CB 0.032 41.947 42.059 -0.239 0.000 1.103 283 L HN -0.016 nan 8.230 nan 0.000 0.468 284 Q N 0.832 120.199 119.800 -0.721 0.000 2.844 284 Q HA 0.202 4.542 4.340 -0.001 0.000 0.235 284 Q C -0.844 174.934 176.000 -0.371 0.000 1.336 284 Q CA -0.345 54.961 55.803 -0.828 0.000 1.026 284 Q CB 0.082 28.429 28.738 -0.652 0.000 1.513 284 Q HN 0.119 nan 8.270 nan 0.000 0.577 285 F N 1.123 121.056 119.950 -0.029 0.000 2.529 285 F HA 0.192 4.719 4.527 -0.001 0.000 0.365 285 F C 0.817 176.724 175.800 0.178 0.000 1.102 285 F CA -0.475 57.579 58.000 0.090 0.000 1.271 285 F CB 0.656 39.717 39.000 0.102 0.000 1.120 285 F HN 0.310 nan 8.300 nan 0.000 0.579 286 A N 4.042 127.030 122.820 0.280 0.000 2.260 286 A HA 0.734 5.053 4.320 -0.001 0.000 0.314 286 A C -0.546 177.139 177.584 0.169 0.000 1.257 286 A CA -0.484 51.669 52.037 0.192 0.000 0.871 286 A CB 0.352 19.421 19.000 0.115 0.000 1.166 286 A HN 0.737 nan 8.150 nan 0.000 0.522 287 V N 0.051 120.039 119.914 0.123 0.000 3.156 287 V HA 0.873 4.992 4.120 -0.001 0.000 0.311 287 V C 1.142 177.220 176.094 -0.027 0.000 1.208 287 V CA -0.053 62.288 62.300 0.068 0.000 1.063 287 V CB 0.997 32.895 31.823 0.125 0.000 1.098 287 V HN 0.938 nan 8.190 nan 0.000 0.452 288 G N -0.922 107.826 108.800 -0.086 0.000 2.418 288 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.217 288 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.217 288 G C 0.725 175.489 174.900 -0.226 0.000 1.158 288 G CA 0.692 45.714 45.100 -0.130 0.000 0.771 288 G HN 0.644 nan 8.290 nan 0.000 0.545 289 Q N 0.559 120.099 119.800 -0.433 0.000 2.303 289 Q HA 0.150 4.489 4.340 -0.001 0.000 0.257 289 Q C 1.314 177.022 176.000 -0.486 0.000 0.941 289 Q CA -0.208 55.189 55.803 -0.677 0.000 0.931 289 Q CB 1.541 29.312 28.738 -1.611 0.000 1.215 289 Q HN 0.740 nan 8.270 nan 0.000 0.437 290 E N 1.952 121.973 120.200 -0.298 0.000 2.338 290 E HA -0.126 4.223 4.350 -0.001 0.000 0.197 290 E C 1.095 177.594 176.600 -0.168 0.000 1.007 290 E CA 1.286 57.577 56.400 -0.182 0.000 0.849 290 E CB -0.027 29.595 29.700 -0.130 0.000 0.774 290 E HN 0.363 nan 8.360 nan 0.000 0.506 291 V N -2.826 117.000 119.914 -0.147 0.000 3.647 291 V HA 0.115 4.234 4.120 -0.001 0.000 0.279 291 V C 1.274 177.475 176.094 0.178 0.000 1.314 291 V CA -0.131 62.168 62.300 -0.002 0.000 1.125 291 V CB -0.738 31.134 31.823 0.083 0.000 0.907 291 V HN -0.010 nan 8.190 nan 0.000 0.434 292 F N 2.871 122.783 119.950 -0.063 0.000 2.502 292 F HA 0.310 4.836 4.527 -0.001 0.000 0.298 292 F C 2.348 178.127 175.800 -0.036 0.000 1.111 292 F CA 0.608 58.594 58.000 -0.024 0.000 1.445 292 F CB -1.130 37.882 39.000 0.019 0.000 1.081 292 F HN 0.391 nan 8.300 nan 0.000 0.558 293 G N -0.458 108.385 108.800 0.072 0.000 2.679 293 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.212 293 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.212 293 G C 1.598 176.536 174.900 0.063 0.000 1.137 293 G CA 0.132 45.268 45.100 0.059 0.000 0.787 293 G HN 0.348 nan 8.290 nan 0.000 0.534 294 L N -0.075 121.169 121.223 0.034 0.000 2.509 294 L HA 0.235 4.574 4.340 -0.001 0.000 0.222 294 L C -0.120 176.747 176.870 -0.006 0.000 1.123 294 L CA 0.080 55.010 54.840 0.151 0.000 0.856 294 L CB 0.456 42.645 42.059 0.216 0.000 0.985 294 L HN -0.073 nan 8.230 nan 0.000 0.456 295 V N -0.579 119.293 119.914 -0.069 0.000 2.567 295 V HA 0.227 4.346 4.120 -0.001 0.000 0.298 295 V C -1.849 174.054 176.094 -0.319 0.000 1.047 295 V CA -0.898 61.282 62.300 -0.199 0.000 0.880 295 V CB 2.102 33.902 31.823 -0.038 0.000 1.009 295 V HN -0.160 nan 8.190 nan 0.000 0.429 296 P HA -0.072 nan 4.420 nan 0.000 0.218 296 P C 1.618 178.740 177.300 -0.296 0.000 1.149 296 P CA 1.444 64.264 63.100 -0.467 0.000 0.817 296 P CB 0.322 31.634 31.700 -0.645 0.000 0.785 297 G N -0.377 108.116 108.800 -0.512 0.000 2.432 297 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.219 297 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.219 297 G C 1.428 176.015 174.900 -0.522 0.000 1.135 297 G CA 0.425 44.893 45.100 -1.053 0.000 0.767 297 G HN 0.243 nan 8.290 nan 0.000 0.550 298 L N -0.767 120.247 121.223 -0.349 0.000 2.109 298 L HA 0.081 4.420 4.340 -0.001 0.000 0.207 298 L C 2.727 179.481 176.870 -0.193 0.000 1.086 298 L CA 0.680 55.359 54.840 -0.267 0.000 0.760 298 L CB -0.246 41.565 42.059 -0.413 0.000 0.910 298 L HN 0.203 nan 8.230 nan 0.000 0.437 299 M N -0.467 119.019 119.600 -0.190 0.000 2.319 299 M HA -0.170 4.309 4.480 -0.001 0.000 0.265 299 M C 2.111 178.269 176.300 -0.235 0.000 1.068 299 M CA 1.536 56.730 55.300 -0.176 0.000 1.118 299 M CB -0.354 32.098 32.600 -0.246 0.000 1.395 299 M HN 0.180 nan 8.290 nan 0.000 0.435 300 M N -1.264 118.163 119.600 -0.288 0.000 2.065 300 M HA -0.282 4.197 4.480 -0.001 0.000 0.259 300 M C 1.686 177.800 176.300 -0.310 0.000 1.069 300 M CA 2.023 57.126 55.300 -0.329 0.000 1.110 300 M CB -0.412 32.030 32.600 -0.264 0.000 1.328 300 M HN 0.259 nan 8.290 nan 0.000 0.405 301 Y N 0.271 120.431 120.300 -0.234 0.000 2.242 301 Y HA -0.088 4.462 4.550 -0.001 0.000 0.291 301 Y C 2.643 178.373 175.900 -0.283 0.000 1.137 301 Y CA 1.472 59.361 58.100 -0.353 0.000 1.181 301 Y CB -1.049 37.008 38.460 -0.671 0.000 0.989 301 Y HN 0.405 nan 8.280 nan 0.000 0.527 302 A N -0.556 122.248 122.820 -0.027 0.000 1.908 302 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 302 A C 2.306 179.941 177.584 0.084 0.000 1.181 302 A CA 2.369 54.510 52.037 0.173 0.000 0.627 302 A CB -1.206 17.938 19.000 0.239 0.000 0.818 302 A HN 0.413 nan 8.150 nan 0.000 0.445 303 T N 0.273 114.810 114.554 -0.029 0.000 2.708 303 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 303 T C 1.824 176.465 174.700 -0.097 0.000 1.037 303 T CA 1.472 63.526 62.100 -0.078 0.000 1.146 303 T CB -0.422 68.352 68.868 -0.157 0.000 0.865 303 T HN 0.407 nan 8.240 nan 0.000 0.435 304 I N -0.607 119.876 120.570 -0.145 0.000 2.151 304 I HA -0.228 3.941 4.170 -0.001 0.000 0.243 304 I C 2.264 178.290 176.117 -0.151 0.000 1.080 304 I CA 1.638 62.814 61.300 -0.207 0.000 1.339 304 I CB -0.296 37.522 38.000 -0.303 0.000 1.039 304 I HN 0.352 nan 8.210 nan 0.000 0.409 305 W N 0.358 121.646 121.300 -0.020 0.000 2.402 305 W HA -0.115 4.544 4.660 -0.001 0.000 0.286 305 W C 2.457 178.979 176.519 0.004 0.000 1.221 305 W CA 0.504 57.853 57.345 0.007 0.000 1.257 305 W CB -0.221 29.231 29.460 -0.013 0.000 1.120 305 W HN 0.126 nan 8.180 nan 0.000 0.551 306 L N 0.786 122.126 121.223 0.194 0.000 2.046 306 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 306 L C 2.496 179.437 176.870 0.118 0.000 1.077 306 L CA 1.752 56.671 54.840 0.130 0.000 0.747 306 L CB -0.345 41.766 42.059 0.087 0.000 0.896 306 L HN -0.075 nan 8.230 nan 0.000 0.432 307 R N -0.462 120.053 120.500 0.026 0.000 2.081 307 R HA -0.218 4.121 4.340 -0.001 0.000 0.235 307 R C 2.210 178.518 176.300 0.014 0.000 1.131 307 R CA 1.506 57.584 56.100 -0.036 0.000 0.960 307 R CB -0.329 29.900 30.300 -0.119 0.000 0.856 307 R HN 0.359 nan 8.270 nan 0.000 0.436 308 E N 0.325 120.555 120.200 0.051 0.000 2.051 308 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 308 E C 1.742 178.450 176.600 0.181 0.000 0.991 308 E CA 1.801 58.255 56.400 0.091 0.000 0.799 308 E CB -0.236 29.526 29.700 0.103 0.000 0.748 308 E HN 0.437 nan 8.360 nan 0.000 0.449 309 H N -0.199 118.984 119.070 0.188 0.000 2.319 309 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 309 H C 1.609 177.030 175.328 0.155 0.000 1.092 309 H CA 2.341 58.515 56.048 0.210 0.000 1.302 309 H CB -0.142 29.774 29.762 0.256 0.000 1.373 309 H HN 0.143 nan 8.280 nan 0.000 0.497 310 N N 0.060 118.874 118.700 0.190 0.000 2.331 310 N HA -0.103 4.636 4.740 -0.001 0.000 0.180 310 N C 1.951 177.465 175.510 0.007 0.000 1.019 310 N CA 0.820 53.928 53.050 0.098 0.000 0.881 310 N CB -0.312 38.213 38.487 0.064 0.000 0.972 310 N HN 0.402 nan 8.380 nan 0.000 0.435 311 R N 0.617 121.117 120.500 -0.000 0.000 2.075 311 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 311 R C 1.620 177.917 176.300 -0.006 0.000 1.126 311 R CA 0.944 57.036 56.100 -0.014 0.000 0.963 311 R CB -0.145 30.143 30.300 -0.020 0.000 0.858 311 R HN -0.013 nan 8.270 nan 0.000 0.435 312 V N 0.230 120.141 119.914 -0.006 0.000 2.427 312 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 312 V C 2.518 178.607 176.094 -0.008 0.000 1.051 312 V CA 1.572 63.874 62.300 0.003 0.000 1.048 312 V CB -0.430 31.408 31.823 0.025 0.000 0.666 312 V HN 0.524 nan 8.190 nan 0.000 0.456 313 C N 0.144 119.406 119.300 -0.063 0.000 2.398 313 C HA -0.199 4.260 4.460 -0.001 0.000 0.276 313 C C 2.540 177.556 174.990 0.043 0.000 1.222 313 C CA 1.152 60.168 59.018 -0.003 0.000 1.746 313 C CB -1.071 26.671 27.740 0.002 0.000 2.039 313 C HN 0.609 nan 8.230 nan 0.000 0.470 314 D N 0.627 121.042 120.400 0.025 0.000 2.097 314 D HA -0.090 4.550 4.640 -0.001 0.000 0.195 314 D C 1.915 178.225 176.300 0.017 0.000 0.989 314 D CA 1.239 55.253 54.000 0.023 0.000 0.827 314 D CB -0.406 40.398 40.800 0.006 0.000 0.966 314 D HN 0.476 nan 8.370 nan 0.000 0.456 315 I N 0.581 121.159 120.570 0.013 0.000 2.179 315 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 315 I C 2.485 178.604 176.117 0.004 0.000 1.088 315 I CA 0.698 62.000 61.300 0.005 0.000 1.357 315 I CB -0.159 37.848 38.000 0.012 0.000 1.051 315 I HN -0.040 nan 8.210 nan 0.000 0.409 316 L N 0.540 121.788 121.223 0.042 0.000 2.083 316 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 316 L C 2.610 179.493 176.870 0.022 0.000 1.083 316 L CA 1.386 56.263 54.840 0.062 0.000 0.752 316 L CB -0.531 41.633 42.059 0.176 0.000 0.899 316 L HN 0.230 nan 8.230 nan 0.000 0.433 317 K N 0.383 120.816 120.400 0.056 0.000 2.097 317 K HA -0.230 4.090 4.320 -0.001 0.000 0.206 317 K C 2.154 178.746 176.600 -0.013 0.000 1.049 317 K CA 1.616 57.936 56.287 0.055 0.000 0.933 317 K CB 0.026 32.573 32.500 0.078 0.000 0.717 317 K HN 0.485 nan 8.250 nan 0.000 0.442 318 Q N -0.666 119.112 119.800 -0.037 0.000 2.311 318 Q HA -0.071 4.269 4.340 -0.001 0.000 0.203 318 Q C 1.227 177.139 176.000 -0.147 0.000 0.954 318 Q CA 0.631 56.392 55.803 -0.070 0.000 0.885 318 Q CB 0.148 28.857 28.738 -0.049 0.000 0.963 318 Q HN 0.219 nan 8.270 nan 0.000 0.471 319 E N 0.935 121.009 120.200 -0.211 0.000 2.107 319 E HA -0.040 4.309 4.350 -0.001 0.000 0.191 319 E C 0.246 176.402 176.600 -0.739 0.000 0.982 319 E CA 0.858 56.999 56.400 -0.431 0.000 0.809 319 E CB 0.237 29.681 29.700 -0.426 0.000 0.756 319 E HN 0.493 nan 8.360 nan 0.000 0.459 320 H N -0.033 118.807 119.070 -0.383 0.000 2.448 320 H HA 0.160 4.716 4.556 -0.001 0.000 0.237 320 H C -1.826 173.358 175.328 -0.241 0.000 1.391 320 H CA -1.468 54.261 56.048 -0.533 0.000 1.477 320 H CB 1.355 30.274 29.762 -1.404 0.000 1.520 320 H HN 0.010 nan 8.280 nan 0.000 0.502 321 P HA -0.141 nan 4.420 nan 0.000 0.225 321 P C 1.298 178.647 177.300 0.082 0.000 1.148 321 P CA 0.931 64.043 63.100 0.019 0.000 0.779 321 P CB 0.471 32.169 31.700 -0.005 0.000 0.780 322 E N -1.454 118.806 120.200 0.101 0.000 2.371 322 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 322 E C 0.184 176.976 176.600 0.320 0.000 1.012 322 E CA 0.114 56.619 56.400 0.176 0.000 0.860 322 E CB -0.586 29.214 29.700 0.166 0.000 0.811 322 E HN 0.142 nan 8.360 nan 0.000 0.502 323 W N 1.903 123.252 121.300 0.082 0.000 2.202 323 W HA 0.533 5.192 4.660 -0.001 0.000 0.332 323 W C 1.093 177.646 176.519 0.056 0.000 1.263 323 W CA -0.224 57.152 57.345 0.051 0.000 1.223 323 W CB 0.719 30.203 29.460 0.039 0.000 1.128 323 W HN -0.027 nan 8.180 nan 0.000 0.573 324 G N 0.929 109.852 108.800 0.205 0.000 2.522 324 G HA2 0.099 4.058 3.960 -0.001 0.000 0.304 324 G HA3 0.099 4.058 3.960 -0.001 0.000 0.304 324 G C 0.410 175.394 174.900 0.141 0.000 1.210 324 G CA -0.178 45.003 45.100 0.136 0.000 0.960 324 G HN 0.504 nan 8.290 nan 0.000 0.497 325 D N -0.838 119.645 120.400 0.138 0.000 2.133 325 D HA -0.203 4.436 4.640 -0.001 0.000 0.195 325 D C 1.999 178.395 176.300 0.160 0.000 0.997 325 D CA 1.862 55.958 54.000 0.160 0.000 0.840 325 D CB 0.106 41.006 40.800 0.167 0.000 0.947 325 D HN 0.432 nan 8.370 nan 0.000 0.452 326 E N 0.212 120.481 120.200 0.115 0.000 2.051 326 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 326 E C 2.082 178.728 176.600 0.076 0.000 0.991 326 E CA 1.440 57.906 56.400 0.112 0.000 0.799 326 E CB -0.389 29.352 29.700 0.068 0.000 0.748 326 E HN 0.483 nan 8.360 nan 0.000 0.449 327 Q N -0.347 119.406 119.800 -0.079 0.000 2.079 327 Q HA -0.102 4.237 4.340 -0.001 0.000 0.200 327 Q C 2.277 178.177 176.000 -0.167 0.000 0.974 327 Q CA 1.332 56.948 55.803 -0.312 0.000 0.840 327 Q CB -0.119 28.137 28.738 -0.802 0.000 0.898 327 Q HN 0.359 nan 8.270 nan 0.000 0.430 328 L N -0.085 121.191 121.223 0.089 0.000 2.013 328 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 328 L C 2.357 179.340 176.870 0.188 0.000 1.073 328 L CA 1.553 56.548 54.840 0.259 0.000 0.753 328 L CB -0.594 41.639 42.059 0.289 0.000 0.890 328 L HN 0.330 nan 8.230 nan 0.000 0.432 329 F N 0.422 120.425 119.950 0.087 0.000 2.102 329 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 329 F C 2.727 178.573 175.800 0.078 0.000 1.105 329 F CA 1.568 59.645 58.000 0.128 0.000 1.239 329 F CB -0.219 38.822 39.000 0.067 0.000 0.991 329 F HN 0.037 nan 8.300 nan 0.000 0.474 330 Q N -0.052 119.727 119.800 -0.035 0.000 2.119 330 Q HA -0.124 4.215 4.340 -0.001 0.000 0.201 330 Q C 2.240 178.145 176.000 -0.159 0.000 0.972 330 Q CA 2.112 57.816 55.803 -0.165 0.000 0.847 330 Q CB -1.065 27.666 28.738 -0.012 0.000 0.903 330 Q HN 0.428 nan 8.270 nan 0.000 0.433 331 T N 0.926 115.439 114.554 -0.069 0.000 2.777 331 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 331 T C 2.176 176.935 174.700 0.100 0.000 1.040 331 T CA 1.313 63.444 62.100 0.051 0.000 1.141 331 T CB -0.106 68.865 68.868 0.172 0.000 0.868 331 T HN 0.199 nan 8.240 nan 0.000 0.444 332 S N 1.122 116.831 115.700 0.016 0.000 2.359 332 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 332 S C 2.071 176.702 174.600 0.051 0.000 1.035 332 S CA 1.153 59.344 58.200 -0.014 0.000 1.018 332 S CB -0.301 62.726 63.200 -0.288 0.000 0.876 332 S HN 0.434 nan 8.310 nan 0.000 0.448 333 R N 0.977 121.390 120.500 -0.145 0.000 2.096 333 R HA -0.108 4.232 4.340 -0.001 0.000 0.240 333 R C 2.180 178.525 176.300 0.074 0.000 1.139 333 R CA 1.395 57.385 56.100 -0.183 0.000 0.952 333 R CB -0.450 29.384 30.300 -0.778 0.000 0.854 333 R HN 0.368 nan 8.270 nan 0.000 0.436 334 L N 0.235 121.528 121.223 0.117 0.000 2.046 334 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 334 L C 2.508 179.651 176.870 0.454 0.000 1.077 334 L CA 1.291 56.324 54.840 0.322 0.000 0.747 334 L CB -0.407 41.860 42.059 0.346 0.000 0.896 334 L HN 0.298 nan 8.230 nan 0.000 0.432 335 I N -0.483 120.322 120.570 0.393 0.000 2.179 335 I HA -0.323 3.846 4.170 -0.001 0.000 0.242 335 I C 2.397 178.664 176.117 0.250 0.000 1.088 335 I CA 1.222 62.688 61.300 0.278 0.000 1.357 335 I CB -0.164 37.979 38.000 0.239 0.000 1.051 335 I HN 0.175 nan 8.210 nan 0.000 0.409 336 L N 0.196 121.588 121.223 0.281 0.000 2.083 336 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 336 L C 2.300 179.304 176.870 0.223 0.000 1.083 336 L CA 1.742 56.771 54.840 0.315 0.000 0.752 336 L CB -0.502 41.782 42.059 0.376 0.000 0.899 336 L HN 0.161 nan 8.230 nan 0.000 0.433 337 I N -0.969 119.736 120.570 0.224 0.000 2.163 337 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 337 I C 2.486 178.724 176.117 0.202 0.000 1.085 337 I CA 1.529 62.946 61.300 0.195 0.000 1.347 337 I CB -0.903 37.229 38.000 0.221 0.000 1.044 337 I HN 0.354 nan 8.210 nan 0.000 0.408 338 G N 0.101 109.059 108.800 0.264 0.000 2.418 338 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 338 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 338 G C 1.504 176.529 174.900 0.209 0.000 1.158 338 G CA 0.572 45.841 45.100 0.282 0.000 0.771 338 G HN 0.404 nan 8.290 nan 0.000 0.545 339 E N -0.123 120.214 120.200 0.229 0.000 2.085 339 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 339 E C 2.769 179.541 176.600 0.286 0.000 0.994 339 E CA 1.531 58.095 56.400 0.273 0.000 0.801 339 E CB -0.241 29.695 29.700 0.394 0.000 0.743 339 E HN 0.356 nan 8.360 nan 0.000 0.453 340 T N 1.316 116.018 114.554 0.247 0.000 2.708 340 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 340 T C 2.000 176.721 174.700 0.034 0.000 1.037 340 T CA 0.980 63.191 62.100 0.185 0.000 1.146 340 T CB -0.184 68.701 68.868 0.028 0.000 0.865 340 T HN 0.114 nan 8.240 nan 0.000 0.435 341 I N 0.787 121.303 120.570 -0.090 0.000 2.252 341 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 341 I C 2.539 178.347 176.117 -0.516 0.000 1.102 341 I CA 1.117 62.206 61.300 -0.352 0.000 1.385 341 I CB -0.281 37.387 38.000 -0.553 0.000 1.064 341 I HN 0.145 nan 8.210 nan 0.000 0.414 342 K N 1.924 122.082 120.400 -0.403 0.000 2.009 342 K HA -0.165 4.155 4.320 -0.001 0.000 0.210 342 K C 1.899 178.512 176.600 0.021 0.000 1.049 342 K CA 1.832 58.058 56.287 -0.102 0.000 0.929 342 K CB -0.405 32.202 32.500 0.178 0.000 0.714 342 K HN 0.226 nan 8.250 nan 0.000 0.440 343 I N 0.146 120.763 120.570 0.079 0.000 2.226 343 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 343 I C 2.120 178.284 176.117 0.079 0.000 1.100 343 I CA 1.027 62.397 61.300 0.116 0.000 1.374 343 I CB -0.271 37.859 38.000 0.216 0.000 1.057 343 I HN -0.003 nan 8.210 nan 0.000 0.413 344 V N 1.132 121.035 119.914 -0.017 0.000 2.343 344 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 344 V C 2.275 178.428 176.094 0.098 0.000 1.051 344 V CA 1.924 64.171 62.300 -0.088 0.000 1.036 344 V CB -0.375 31.193 31.823 -0.425 0.000 0.654 344 V HN 0.332 nan 8.190 nan 0.000 0.451 345 I N -0.447 120.151 120.570 0.047 0.000 2.193 345 I HA -0.172 3.998 4.170 -0.001 0.000 0.240 345 I C 2.416 178.611 176.117 0.129 0.000 1.084 345 I CA 1.607 62.970 61.300 0.105 0.000 1.365 345 I CB -0.296 37.757 38.000 0.087 0.000 1.064 345 I HN 0.328 nan 8.210 nan 0.000 0.410 346 E N 0.033 120.304 120.200 0.117 0.000 2.385 346 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 346 E C 0.968 177.640 176.600 0.121 0.000 1.013 346 E CA 0.498 56.960 56.400 0.104 0.000 0.866 346 E CB 0.313 30.070 29.700 0.095 0.000 0.832 346 E HN 0.480 nan 8.360 nan 0.000 0.500 347 D N -0.669 119.842 120.400 0.185 0.000 2.856 347 D HA -0.042 4.597 4.640 -0.001 0.000 0.283 347 D C 1.487 178.058 176.300 0.452 0.000 1.051 347 D CA 0.281 54.449 54.000 0.281 0.000 0.965 347 D CB -0.224 40.724 40.800 0.247 0.000 1.201 347 D HN 0.052 nan 8.370 nan 0.000 0.474 348 Y N 2.384 122.821 120.300 0.228 0.000 2.114 348 Y HA -0.168 4.382 4.550 -0.000 0.000 0.284 348 Y C 2.268 178.276 175.900 0.180 0.000 1.119 348 Y CA 1.460 59.575 58.100 0.026 0.000 1.108 348 Y CB -0.394 37.938 38.460 -0.213 0.000 0.995 348 Y HN -0.279 nan 8.280 nan 0.000 0.491 349 V N 0.716 120.829 119.914 0.331 0.000 2.343 349 V HA -0.322 3.798 4.120 -0.001 0.000 0.247 349 V C 2.306 178.422 176.094 0.036 0.000 1.051 349 V CA 2.118 64.537 62.300 0.198 0.000 1.036 349 V CB -0.924 31.043 31.823 0.241 0.000 0.654 349 V HN 0.429 nan 8.190 nan 0.000 0.451 350 Q N 0.472 120.314 119.800 0.070 0.000 2.062 350 Q HA -0.300 4.039 4.340 -0.001 0.000 0.209 350 Q C 2.145 178.115 176.000 -0.051 0.000 0.996 350 Q CA 2.741 58.548 55.803 0.005 0.000 0.859 350 Q CB -0.600 28.173 28.738 0.058 0.000 0.920 350 Q HN 0.850 nan 8.270 nan 0.000 0.415 351 H N -1.010 118.021 119.070 -0.064 0.000 2.321 351 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 351 H C 1.563 176.715 175.328 -0.295 0.000 1.087 351 H CA 1.728 57.689 56.048 -0.146 0.000 1.319 351 H CB -0.381 29.334 29.762 -0.079 0.000 1.379 351 H HN 0.308 nan 8.280 nan 0.000 0.501 352 L N 0.727 121.702 121.223 -0.413 0.000 2.012 352 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 352 L C 2.830 179.446 176.870 -0.423 0.000 1.073 352 L CA 2.155 56.721 54.840 -0.457 0.000 0.748 352 L CB -1.451 40.537 42.059 -0.118 0.000 0.891 352 L HN 0.620 nan 8.230 nan 0.000 0.431 353 S N -0.912 114.536 115.700 -0.419 0.000 2.382 353 S HA -0.041 4.428 4.470 -0.001 0.000 0.228 353 S C 1.775 176.050 174.600 -0.542 0.000 1.027 353 S CA 0.984 58.780 58.200 -0.673 0.000 0.991 353 S CB -0.783 61.658 63.200 -1.265 0.000 0.823 353 S HN 0.653 nan 8.310 nan 0.000 0.469 354 G N -0.096 108.442 108.800 -0.437 0.000 2.155 354 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.257 354 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.257 354 G C -0.120 174.619 174.900 -0.269 0.000 0.983 354 G CA 0.425 45.326 45.100 -0.331 0.000 0.676 354 G HN 0.535 nan 8.290 nan 0.000 0.528 355 Y N 0.394 120.510 120.300 -0.308 0.000 2.480 355 Y HA 0.315 4.865 4.550 -0.001 0.000 0.338 355 Y C 1.859 177.518 175.900 -0.400 0.000 1.220 355 Y CA -0.590 57.285 58.100 -0.375 0.000 1.430 355 Y CB 0.416 38.743 38.460 -0.222 0.000 1.311 355 Y HN 0.245 nan 8.280 nan 0.000 0.575 356 H N 1.764 120.732 119.070 -0.170 0.000 2.470 356 H HA -0.074 4.481 4.556 -0.002 0.000 0.289 356 H C 0.382 175.612 175.328 -0.164 0.000 1.033 356 H CA 0.154 56.116 56.048 -0.143 0.000 1.331 356 H CB -0.062 29.682 29.762 -0.029 0.000 1.414 356 H HN 0.486 nan 8.280 nan 0.000 0.545 357 F N 2.688 122.309 119.950 -0.549 0.000 2.538 357 F HA 0.069 4.595 4.527 -0.001 0.000 0.371 357 F C 0.316 176.067 175.800 -0.082 0.000 1.087 357 F CA -0.456 57.302 58.000 -0.402 0.000 1.250 357 F CB 0.577 39.074 39.000 -0.839 0.000 1.110 357 F HN -0.405 nan 8.300 nan 0.000 0.570 358 K N 7.881 127.822 120.400 -0.764 0.000 2.273 358 K HA 0.349 4.669 4.320 -0.001 0.000 0.287 358 K C 0.031 176.088 176.600 -0.905 0.000 1.089 358 K CA -0.481 55.450 56.287 -0.593 0.000 0.909 358 K CB -0.022 32.297 32.500 -0.302 0.000 1.123 358 K HN 0.641 nan 8.250 nan 0.000 0.473 359 L N 2.263 123.211 121.223 -0.458 0.000 2.499 359 L HA 0.198 4.537 4.340 -0.001 0.000 0.281 359 L C 0.782 177.596 176.870 -0.094 0.000 1.234 359 L CA 0.411 55.150 54.840 -0.168 0.000 0.839 359 L CB 0.306 42.405 42.059 0.066 0.000 1.104 359 L HN 0.488 nan 8.230 nan 0.000 0.500 360 K N 1.953 122.367 120.400 0.025 0.000 2.443 360 K HA 0.315 4.635 4.320 -0.001 0.000 0.252 360 K C -1.408 175.275 176.600 0.139 0.000 0.933 360 K CA -0.729 55.591 56.287 0.055 0.000 0.792 360 K CB 1.568 34.082 32.500 0.024 0.000 1.185 360 K HN 0.294 nan 8.250 nan 0.000 0.425 361 F N 4.580 124.522 119.950 -0.013 0.000 2.375 361 F HA 0.306 4.832 4.527 -0.001 0.000 0.362 361 F C -0.851 174.899 175.800 -0.083 0.000 1.129 361 F CA -0.663 57.311 58.000 -0.043 0.000 1.154 361 F CB 0.502 39.495 39.000 -0.011 0.000 1.205 361 F HN 0.476 nan 8.300 nan 0.000 0.513 362 D N 8.420 128.543 120.400 -0.462 0.000 2.328 362 D HA 0.319 4.958 4.640 -0.001 0.000 0.243 362 D C -2.258 173.635 176.300 -0.678 0.000 1.324 362 D CA -1.955 51.707 54.000 -0.564 0.000 0.966 362 D CB 1.756 42.407 40.800 -0.248 0.000 1.324 362 D HN 0.170 nan 8.370 nan 0.000 0.549 363 P HA -0.135 nan 4.420 nan 0.000 0.217 363 P C 0.865 177.496 177.300 -1.114 0.000 1.148 363 P CA 1.047 63.564 63.100 -0.972 0.000 0.828 363 P CB 0.361 31.208 31.700 -1.422 0.000 0.783 364 E N -0.608 118.921 120.200 -1.118 0.000 2.265 364 E HA -0.132 4.217 4.350 -0.001 0.000 0.196 364 E C 1.828 178.037 176.600 -0.650 0.000 0.996 364 E CA 0.656 56.313 56.400 -1.238 0.000 0.832 364 E CB -0.610 28.833 29.700 -0.429 0.000 0.756 364 E HN 0.328 nan 8.360 nan 0.000 0.491 365 L N 0.374 121.342 121.223 -0.425 0.000 2.261 365 L HA -0.172 4.167 4.340 -0.001 0.000 0.216 365 L C 2.021 178.797 176.870 -0.157 0.000 1.114 365 L CA 0.841 55.551 54.840 -0.217 0.000 0.777 365 L CB -0.175 41.782 42.059 -0.169 0.000 0.910 365 L HN 0.178 nan 8.230 nan 0.000 0.440 366 L N -2.198 118.905 121.223 -0.200 0.000 2.640 366 L HA 0.053 4.393 4.340 -0.001 0.000 0.230 366 L C 1.734 178.752 176.870 0.246 0.000 1.123 366 L CA -0.380 54.440 54.840 -0.034 0.000 0.900 366 L CB -0.063 41.898 42.059 -0.163 0.000 1.146 366 L HN 0.090 nan 8.230 nan 0.000 0.484 367 F N 1.391 121.396 119.950 0.093 0.000 2.365 367 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 367 F C 2.017 177.888 175.800 0.120 0.000 1.090 367 F CA 0.589 58.671 58.000 0.138 0.000 1.408 367 F CB -0.705 38.373 39.000 0.129 0.000 1.060 367 F HN 0.372 nan 8.300 nan 0.000 0.534 368 N N -0.724 118.136 118.700 0.268 0.000 2.251 368 N HA -0.003 4.736 4.740 -0.001 0.000 0.217 368 N C -0.063 175.532 175.510 0.141 0.000 1.124 368 N CA 0.102 53.259 53.050 0.178 0.000 0.843 368 N CB -0.107 38.464 38.487 0.140 0.000 1.024 368 N HN 0.103 nan 8.380 nan 0.000 0.501 369 Q N 0.275 120.169 119.800 0.157 0.000 2.351 369 Q HA 0.314 4.653 4.340 -0.001 0.000 0.273 369 Q C -0.546 175.544 176.000 0.149 0.000 1.077 369 Q CA -0.444 55.435 55.803 0.126 0.000 0.843 369 Q CB 1.678 30.473 28.738 0.094 0.000 1.367 369 Q HN 0.305 nan 8.270 nan 0.000 0.449 370 Q N 1.188 121.062 119.800 0.124 0.000 2.323 370 Q HA 0.442 4.781 4.340 -0.001 0.000 0.257 370 Q C -1.130 174.966 176.000 0.161 0.000 1.022 370 Q CA 0.163 56.034 55.803 0.114 0.000 0.919 370 Q CB 0.374 29.155 28.738 0.071 0.000 1.220 370 Q HN 0.359 nan 8.270 nan 0.000 0.427 371 F N 1.554 121.453 119.950 -0.086 0.000 2.635 371 F HA 0.186 4.712 4.527 -0.001 0.000 0.314 371 F C -1.375 174.234 175.800 -0.319 0.000 1.119 371 F CA -0.860 57.014 58.000 -0.209 0.000 1.000 371 F CB 1.758 40.587 39.000 -0.286 0.000 1.278 371 F HN 0.265 nan 8.300 nan 0.000 0.446 372 Q N 5.311 124.561 119.800 -0.916 0.000 2.322 372 Q HA 0.183 4.523 4.340 -0.001 0.000 0.256 372 Q C -1.228 174.356 176.000 -0.694 0.000 0.960 372 Q CA -0.262 55.176 55.803 -0.607 0.000 0.934 372 Q CB 0.892 29.383 28.738 -0.412 0.000 1.200 372 Q HN 0.626 nan 8.270 nan 0.000 0.435 373 Y N 2.968 123.232 120.300 -0.059 0.000 2.724 373 Y HA 0.079 4.629 4.550 -0.001 0.000 0.354 373 Y C 0.622 176.520 175.900 -0.003 0.000 1.270 373 Y CA -0.112 58.030 58.100 0.071 0.000 1.902 373 Y CB 0.002 38.558 38.460 0.160 0.000 1.981 373 Y HN 0.388 nan 8.280 nan 0.000 0.428 374 Q N -0.121 119.683 119.800 0.005 0.000 2.578 374 Q HA 0.551 4.890 4.340 -0.001 0.000 0.284 374 Q C -1.954 174.013 176.000 -0.055 0.000 0.960 374 Q CA -1.252 54.546 55.803 -0.008 0.000 0.809 374 Q CB 2.174 30.898 28.738 -0.024 0.000 1.462 374 Q HN 0.273 nan 8.270 nan 0.000 0.392 375 N N -0.256 118.418 118.700 -0.043 0.000 2.405 375 N HA 0.604 5.344 4.740 -0.001 0.000 0.274 375 N C -2.156 173.307 175.510 -0.079 0.000 1.170 375 N CA -0.556 52.464 53.050 -0.049 0.000 0.848 375 N CB 2.436 40.913 38.487 -0.017 0.000 1.629 375 N HN 0.615 nan 8.380 nan 0.000 0.481 376 R N 2.691 123.138 120.500 -0.087 0.000 2.532 376 R HA 0.515 4.854 4.340 -0.001 0.000 0.297 376 R C -0.973 175.374 176.300 0.079 0.000 0.984 376 R CA -0.589 55.413 56.100 -0.164 0.000 0.884 376 R CB 0.621 30.740 30.300 -0.301 0.000 1.182 376 R HN 0.529 nan 8.270 nan 0.000 0.442 377 I N 3.756 124.552 120.570 0.376 0.000 2.587 377 I HA 0.162 4.332 4.170 -0.001 0.000 0.284 377 I C 0.588 176.902 176.117 0.329 0.000 1.134 377 I CA 0.103 61.626 61.300 0.372 0.000 1.410 377 I CB 0.295 38.592 38.000 0.495 0.000 1.392 377 I HN 0.709 nan 8.210 nan 0.000 0.545 378 A N 4.912 127.789 122.820 0.094 0.000 2.363 378 A HA 0.254 4.574 4.320 -0.001 0.000 0.270 378 A C 1.319 178.804 177.584 -0.165 0.000 1.121 378 A CA -0.068 51.924 52.037 -0.076 0.000 0.800 378 A CB 0.673 19.427 19.000 -0.410 0.000 1.052 378 A HN 0.811 nan 8.150 nan 0.000 0.493 379 S N 1.184 116.796 115.700 -0.146 0.000 2.383 379 S HA -0.181 4.288 4.470 -0.001 0.000 0.229 379 S C 1.516 175.958 174.600 -0.263 0.000 1.030 379 S CA 2.291 60.308 58.200 -0.305 0.000 1.002 379 S CB -0.349 62.827 63.200 -0.040 0.000 0.829 379 S HN 0.781 nan 8.310 nan 0.000 0.467 380 E N 0.182 120.235 120.200 -0.245 0.000 2.150 380 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 380 E C 1.567 178.033 176.600 -0.223 0.000 0.985 380 E CA 0.874 57.130 56.400 -0.241 0.000 0.814 380 E CB -0.355 29.175 29.700 -0.283 0.000 0.752 380 E HN 0.574 nan 8.360 nan 0.000 0.466 381 F N 2.170 121.720 119.950 -0.668 0.000 2.095 381 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 381 F C 2.001 177.586 175.800 -0.359 0.000 1.104 381 F CA 1.417 59.135 58.000 -0.470 0.000 1.232 381 F CB -0.626 38.027 39.000 -0.578 0.000 0.987 381 F HN 0.014 nan 8.300 nan 0.000 0.475 382 N N -0.002 118.225 118.700 -0.790 0.000 2.036 382 N HA -0.193 4.547 4.740 -0.001 0.000 0.195 382 N C 1.764 176.845 175.510 -0.716 0.000 1.037 382 N CA 2.498 54.641 53.050 -1.512 0.000 0.855 382 N CB -0.814 36.908 38.487 -1.275 0.000 1.033 382 N HN 0.319 nan 8.380 nan 0.000 0.423 383 T N 1.391 115.647 114.554 -0.496 0.000 2.684 383 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 383 T C 1.865 176.445 174.700 -0.200 0.000 1.036 383 T CA 1.671 63.483 62.100 -0.479 0.000 1.148 383 T CB -0.407 68.321 68.868 -0.233 0.000 0.863 383 T HN 0.451 nan 8.240 nan 0.000 0.436 384 L N -1.323 119.860 121.223 -0.067 0.000 2.362 384 L HA 0.162 4.501 4.340 -0.001 0.000 0.219 384 L C 1.843 178.756 176.870 0.071 0.000 1.134 384 L CA 1.408 56.286 54.840 0.063 0.000 0.807 384 L CB -1.069 41.033 42.059 0.071 0.000 0.927 384 L HN 0.153 nan 8.230 nan 0.000 0.447 385 Y N 0.015 120.184 120.300 -0.218 0.000 2.471 385 Y HA 0.153 4.703 4.550 -0.000 0.000 0.286 385 Y C 0.821 176.415 175.900 -0.511 0.000 1.188 385 Y CA -0.130 57.588 58.100 -0.636 0.000 1.286 385 Y CB -0.193 37.867 38.460 -0.668 0.000 1.072 385 Y HN 0.303 nan 8.280 nan 0.000 0.517 386 H N -0.004 118.966 119.070 -0.167 0.000 2.970 386 H HA -0.062 4.494 4.556 -0.001 0.000 0.226 386 H C -0.502 174.775 175.328 -0.085 0.000 1.909 386 H CA -0.360 55.548 56.048 -0.233 0.000 1.388 386 H CB -0.366 29.245 29.762 -0.253 0.000 1.773 386 H HN 0.390 nan 8.280 nan 0.000 0.559 387 W N 1.613 122.907 121.300 -0.010 0.000 2.666 387 W HA 0.102 4.762 4.660 0.000 0.000 0.445 387 W C 0.862 177.444 176.519 0.105 0.000 0.693 387 W CA -0.967 56.433 57.345 0.092 0.000 2.192 387 W CB -1.446 28.147 29.460 0.222 0.000 1.086 387 W HN 0.669 nan 8.180 nan 0.000 0.747 388 H N 1.213 120.526 119.070 0.406 0.000 2.325 388 H HA -0.216 4.339 4.556 -0.001 0.000 0.293 388 H C -0.428 175.053 175.328 0.254 0.000 1.106 388 H CA 2.262 58.486 56.048 0.293 0.000 1.247 388 H CB -1.532 28.386 29.762 0.260 0.000 1.359 388 H HN 0.027 nan 8.280 nan 0.000 0.488 389 P HA -0.152 nan 4.420 nan 0.000 0.220 389 P C 1.274 178.697 177.300 0.206 0.000 1.144 389 P CA 0.742 63.974 63.100 0.219 0.000 0.800 389 P CB 0.021 31.800 31.700 0.132 0.000 0.772 390 L N -1.297 120.071 121.223 0.241 0.000 2.127 390 L HA -0.106 4.233 4.340 -0.001 0.000 0.211 390 L C 0.982 177.972 176.870 0.200 0.000 1.089 390 L CA 1.275 56.249 54.840 0.223 0.000 0.757 390 L CB -1.229 41.016 42.059 0.311 0.000 0.899 390 L HN -0.063 nan 8.230 nan 0.000 0.434 391 L N 1.710 123.066 121.223 0.221 0.000 2.455 391 L HA 0.156 4.495 4.340 -0.001 0.000 0.272 391 L C -1.794 175.143 176.870 0.111 0.000 1.174 391 L CA -1.523 53.420 54.840 0.173 0.000 0.869 391 L CB -0.071 42.212 42.059 0.373 0.000 1.130 391 L HN 0.034 nan 8.230 nan 0.000 0.474 392 P HA 0.089 nan 4.420 nan 0.000 0.277 392 P C -0.435 176.659 177.300 -0.343 0.000 1.271 392 P CA -0.421 62.420 63.100 -0.431 0.000 0.795 392 P CB 1.057 32.364 31.700 -0.655 0.000 1.101 393 D N -1.192 118.969 120.400 -0.397 0.000 2.162 393 D HA -0.016 4.624 4.640 -0.001 0.000 0.203 393 D C 0.892 177.088 176.300 -0.173 0.000 0.967 393 D CA 1.595 55.512 54.000 -0.139 0.000 0.840 393 D CB -0.075 40.630 40.800 -0.159 0.000 0.972 393 D HN 0.533 nan 8.370 nan 0.000 0.482 394 T N -2.419 111.873 114.554 -0.436 0.000 2.883 394 T HA 0.584 4.933 4.350 -0.001 0.000 0.296 394 T C -0.805 173.475 174.700 -0.701 0.000 1.117 394 T CA -0.922 60.916 62.100 -0.436 0.000 1.006 394 T CB 1.367 70.119 68.868 -0.193 0.000 1.191 394 T HN -0.208 nan 8.240 nan 0.000 0.508 395 F N 1.910 121.680 119.950 -0.300 0.000 2.361 395 F HA 0.459 4.985 4.527 -0.001 0.000 0.364 395 F C 0.322 176.053 175.800 -0.116 0.000 1.120 395 F CA -1.045 56.762 58.000 -0.323 0.000 1.102 395 F CB 1.038 39.502 39.000 -0.894 0.000 1.183 395 F HN 0.418 nan 8.300 nan 0.000 0.476 396 N N 5.513 124.236 118.700 0.038 0.000 2.527 396 N HA 0.417 5.156 4.740 -0.001 0.000 0.236 396 N C -0.784 174.663 175.510 -0.105 0.000 0.999 396 N CA -0.175 52.846 53.050 -0.048 0.000 0.935 396 N CB 1.164 39.603 38.487 -0.079 0.000 1.132 396 N HN 0.492 nan 8.380 nan 0.000 0.511 397 I N 0.788 121.242 120.570 -0.192 0.000 2.389 397 I HA 0.174 4.344 4.170 -0.001 0.000 0.288 397 I C 1.110 177.027 176.117 -0.334 0.000 0.999 397 I CA -0.494 60.549 61.300 -0.428 0.000 1.129 397 I CB 1.328 38.859 38.000 -0.781 0.000 1.288 397 I HN 0.517 nan 8.210 nan 0.000 0.444 398 E N 3.159 123.225 120.200 -0.223 0.000 3.221 398 E HA -0.329 4.020 4.350 -0.001 0.000 0.410 398 E C 0.195 176.767 176.600 -0.048 0.000 1.531 398 E CA 2.209 58.568 56.400 -0.069 0.000 1.285 398 E CB -0.474 29.269 29.700 0.072 0.000 1.542 398 E HN 0.799 nan 8.360 nan 0.000 0.482 399 D N 0.227 120.626 120.400 -0.002 0.000 2.360 399 D HA 0.107 4.747 4.640 -0.001 0.000 0.210 399 D C -0.117 176.138 176.300 -0.076 0.000 1.047 399 D CA 0.392 54.377 54.000 -0.026 0.000 0.854 399 D CB 0.259 41.060 40.800 0.002 0.000 0.936 399 D HN 0.056 nan 8.370 nan 0.000 0.514 400 Q N 0.496 120.223 119.800 -0.121 0.000 2.227 400 Q HA 0.383 4.722 4.340 -0.001 0.000 0.245 400 Q C -0.514 175.260 176.000 -0.378 0.000 0.926 400 Q CA 0.004 55.618 55.803 -0.315 0.000 0.895 400 Q CB 1.497 29.922 28.738 -0.520 0.000 1.230 400 Q HN -0.053 nan 8.270 nan 0.000 0.450 401 E N 1.931 121.882 120.200 -0.416 0.000 2.267 401 E HA 0.209 4.558 4.350 -0.001 0.000 0.248 401 E C -1.221 175.237 176.600 -0.237 0.000 0.899 401 E CA -0.364 55.876 56.400 -0.266 0.000 0.764 401 E CB 0.836 30.441 29.700 -0.157 0.000 1.227 401 E HN 0.478 nan 8.360 nan 0.000 0.421 402 Y N 1.326 121.666 120.300 0.066 0.000 2.316 402 Y HA 0.096 4.645 4.550 -0.001 0.000 0.331 402 Y C 1.269 177.260 175.900 0.151 0.000 1.083 402 Y CA -0.605 57.586 58.100 0.152 0.000 1.206 402 Y CB 0.951 39.578 38.460 0.279 0.000 1.195 402 Y HN 0.357 nan 8.280 nan 0.000 0.497 403 S N 1.561 117.449 115.700 0.314 0.000 2.596 403 S HA 0.085 4.555 4.470 -0.001 0.000 0.260 403 S C 0.890 175.731 174.600 0.401 0.000 1.336 403 S CA -0.498 57.883 58.200 0.301 0.000 0.993 403 S CB 0.315 63.670 63.200 0.259 0.000 0.923 403 S HN 0.553 nan 8.310 nan 0.000 0.567 404 F N 0.885 121.025 119.950 0.317 0.000 2.126 404 F HA -0.038 4.489 4.527 -0.001 0.000 0.299 404 F C 2.602 178.545 175.800 0.238 0.000 1.096 404 F CA 1.978 60.191 58.000 0.355 0.000 1.255 404 F CB -0.479 38.675 39.000 0.256 0.000 0.997 404 F HN 0.678 nan 8.300 nan 0.000 0.479 405 K N 0.165 120.786 120.400 0.369 0.000 2.063 405 K HA -0.233 4.087 4.320 -0.001 0.000 0.208 405 K C 1.988 178.715 176.600 0.211 0.000 1.048 405 K CA 1.720 58.154 56.287 0.245 0.000 0.928 405 K CB -0.146 32.477 32.500 0.206 0.000 0.713 405 K HN 0.345 nan 8.250 nan 0.000 0.442 406 Q N -0.950 119.004 119.800 0.256 0.000 2.172 406 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 406 Q C 1.849 177.957 176.000 0.181 0.000 0.964 406 Q CA 1.106 57.059 55.803 0.249 0.000 0.855 406 Q CB -0.035 28.929 28.738 0.376 0.000 0.918 406 Q HN 0.251 nan 8.270 nan 0.000 0.444 407 F N 1.038 120.989 119.950 0.002 0.000 2.187 407 F HA 0.032 4.559 4.527 -0.001 0.000 0.295 407 F C 0.669 176.332 175.800 -0.229 0.000 1.091 407 F CA 0.393 58.278 58.000 -0.192 0.000 1.308 407 F CB 0.090 38.875 39.000 -0.358 0.000 1.030 407 F HN -0.094 nan 8.300 nan 0.000 0.487 408 L N 1.125 122.244 121.223 -0.174 0.000 2.525 408 L HA -0.121 4.218 4.340 -0.001 0.000 0.278 408 L C 0.223 176.782 176.870 -0.518 0.000 1.218 408 L CA 0.095 54.618 54.840 -0.529 0.000 0.878 408 L CB -0.306 41.262 42.059 -0.817 0.000 1.127 408 L HN 0.432 nan 8.230 nan 0.000 0.492 409 Y N 0.775 121.067 120.300 -0.014 0.000 4.705 409 Y HA -0.303 4.246 4.550 -0.001 0.000 0.226 409 Y C 0.644 176.563 175.900 0.033 0.000 1.039 409 Y CA 0.406 58.537 58.100 0.051 0.000 1.968 409 Y CB -2.157 36.370 38.460 0.111 0.000 1.614 409 Y HN 0.668 nan 8.280 nan 0.000 0.619 410 N N 1.416 120.098 118.700 -0.029 0.000 3.091 410 N HA 0.188 4.927 4.740 -0.001 0.000 0.255 410 N C 0.429 175.858 175.510 -0.136 0.000 1.204 410 N CA -0.145 52.873 53.050 -0.054 0.000 0.990 410 N CB 0.000 38.426 38.487 -0.101 0.000 1.260 410 N HN 0.265 nan 8.380 nan 0.000 0.502 411 N N -0.165 118.514 118.700 -0.035 0.000 2.515 411 N HA -0.099 4.641 4.740 -0.001 0.000 0.185 411 N C 1.482 176.955 175.510 -0.063 0.000 1.109 411 N CA 0.376 53.392 53.050 -0.057 0.000 0.903 411 N CB 0.212 38.772 38.487 0.121 0.000 0.969 411 N HN 0.529 nan 8.380 nan 0.000 0.450 412 S N 0.211 115.887 115.700 -0.039 0.000 2.447 412 S HA 0.016 4.486 4.470 -0.001 0.000 0.233 412 S C 1.944 176.517 174.600 -0.045 0.000 1.006 412 S CA 0.269 58.444 58.200 -0.042 0.000 0.957 412 S CB -0.357 62.830 63.200 -0.022 0.000 0.773 412 S HN 0.221 nan 8.310 nan 0.000 0.507 413 I N 0.734 121.274 120.570 -0.051 0.000 2.226 413 I HA -0.120 4.050 4.170 -0.001 0.000 0.245 413 I C 2.463 178.699 176.117 0.199 0.000 1.100 413 I CA 0.902 62.239 61.300 0.062 0.000 1.374 413 I CB -0.383 37.549 38.000 -0.113 0.000 1.057 413 I HN 0.304 nan 8.210 nan 0.000 0.413 414 L N 0.742 121.909 121.223 -0.094 0.000 2.046 414 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 414 L C 2.260 178.972 176.870 -0.262 0.000 1.077 414 L CA 1.876 56.420 54.840 -0.494 0.000 0.747 414 L CB -0.507 41.139 42.059 -0.688 0.000 0.896 414 L HN 0.140 nan 8.230 nan 0.000 0.432 415 L N -0.929 120.169 121.223 -0.208 0.000 2.093 415 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 415 L C 2.554 179.388 176.870 -0.061 0.000 1.085 415 L CA 1.464 56.197 54.840 -0.178 0.000 0.755 415 L CB -0.574 41.372 42.059 -0.188 0.000 0.904 415 L HN 0.417 nan 8.230 nan 0.000 0.435 416 E N -0.597 119.573 120.200 -0.050 0.000 2.072 416 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 416 E C 2.142 178.678 176.600 -0.106 0.000 0.985 416 E CA 1.006 57.349 56.400 -0.095 0.000 0.801 416 E CB 0.156 29.761 29.700 -0.159 0.000 0.750 416 E HN 0.550 nan 8.360 nan 0.000 0.452 417 H N -0.683 118.459 119.070 0.120 0.000 2.431 417 H HA 0.160 4.715 4.556 -0.001 0.000 0.295 417 H C 1.116 176.516 175.328 0.120 0.000 1.038 417 H CA 1.062 57.206 56.048 0.160 0.000 1.360 417 H CB 0.560 30.498 29.762 0.293 0.000 1.433 417 H HN 0.295 nan 8.280 nan 0.000 0.536 418 G N 0.513 109.422 108.800 0.183 0.000 2.730 418 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.686 418 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.686 418 G C 0.546 175.474 174.900 0.047 0.000 1.343 418 G CA -0.174 44.982 45.100 0.093 0.000 0.826 418 G HN 0.168 nan 8.290 nan 0.000 0.582 419 L N 0.752 121.950 121.223 -0.042 0.000 2.056 419 L HA -0.084 4.256 4.340 -0.001 0.000 0.207 419 L C 3.222 180.086 176.870 -0.009 0.000 1.078 419 L CA 2.897 57.681 54.840 -0.094 0.000 0.749 419 L CB -1.632 40.326 42.059 -0.169 0.000 0.901 419 L HN 0.862 nan 8.230 nan 0.000 0.433 420 T N -0.964 113.586 114.554 -0.007 0.000 2.684 420 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 420 T C 1.925 176.642 174.700 0.029 0.000 1.036 420 T CA 1.086 63.186 62.100 0.000 0.000 1.148 420 T CB -0.091 68.775 68.868 -0.003 0.000 0.863 420 T HN 0.242 nan 8.240 nan 0.000 0.436 421 Q N -0.099 119.741 119.800 0.066 0.000 2.084 421 Q HA 0.003 4.342 4.340 -0.001 0.000 0.202 421 Q C 2.149 178.130 176.000 -0.031 0.000 0.978 421 Q CA 1.218 57.052 55.803 0.051 0.000 0.844 421 Q CB -0.578 28.237 28.738 0.129 0.000 0.898 421 Q HN 0.486 nan 8.270 nan 0.000 0.426 422 F N 0.168 119.982 119.950 -0.225 0.000 2.065 422 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 422 F C 2.495 178.086 175.800 -0.348 0.000 1.112 422 F CA 1.043 58.781 58.000 -0.438 0.000 1.212 422 F CB -0.743 38.058 39.000 -0.331 0.000 0.975 422 F HN -0.142 nan 8.300 nan 0.000 0.476 423 V N -0.171 119.760 119.914 0.028 0.000 2.261 423 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 423 V C 2.189 178.305 176.094 0.036 0.000 1.047 423 V CA 2.203 64.529 62.300 0.043 0.000 1.015 423 V CB -0.689 31.138 31.823 0.006 0.000 0.642 423 V HN 0.324 nan 8.190 nan 0.000 0.446 424 E N 0.130 120.332 120.200 0.002 0.000 2.085 424 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 424 E C 2.399 178.994 176.600 -0.009 0.000 0.994 424 E CA 1.740 58.146 56.400 0.010 0.000 0.801 424 E CB -0.223 29.481 29.700 0.007 0.000 0.743 424 E HN 0.553 nan 8.360 nan 0.000 0.453 425 S N 0.399 116.039 115.700 -0.100 0.000 2.357 425 S HA -0.084 4.386 4.470 -0.001 0.000 0.221 425 S C 1.654 176.279 174.600 0.040 0.000 1.031 425 S CA 0.771 58.894 58.200 -0.128 0.000 0.982 425 S CB -0.224 62.765 63.200 -0.352 0.000 0.853 425 S HN 0.165 nan 8.310 nan 0.000 0.458 426 F N 2.426 122.379 119.950 0.003 0.000 2.293 426 F HA -0.026 4.500 4.527 -0.001 0.000 0.300 426 F C 2.669 178.534 175.800 0.108 0.000 1.086 426 F CA 0.503 58.556 58.000 0.088 0.000 1.375 426 F CB -1.767 37.340 39.000 0.177 0.000 1.045 426 F HN 0.157 nan 8.300 nan 0.000 0.516 427 T N 0.380 115.087 114.554 0.255 0.000 2.821 427 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 427 T C 1.971 176.744 174.700 0.121 0.000 1.046 427 T CA 1.502 63.702 62.100 0.166 0.000 1.139 427 T CB -0.227 68.707 68.868 0.110 0.000 0.871 427 T HN 0.383 nan 8.240 nan 0.000 0.454 428 R N 1.277 121.838 120.500 0.101 0.000 2.280 428 R HA 0.206 4.546 4.340 -0.001 0.000 0.195 428 R C 1.220 177.562 176.300 0.068 0.000 0.935 428 R CA 0.057 56.196 56.100 0.064 0.000 1.033 428 R CB -0.003 30.316 30.300 0.032 0.000 0.964 428 R HN 0.306 nan 8.270 nan 0.000 0.489 429 Q N 1.834 121.698 119.800 0.107 0.000 2.294 429 Q HA 0.235 4.574 4.340 -0.001 0.000 0.257 429 Q C -0.752 175.295 176.000 0.079 0.000 0.955 429 Q CA -0.498 55.352 55.803 0.079 0.000 0.936 429 Q CB 1.096 29.893 28.738 0.098 0.000 1.188 429 Q HN 0.337 nan 8.270 nan 0.000 0.420 430 I N 3.213 123.825 120.570 0.069 0.000 2.575 430 I HA 0.313 4.482 4.170 -0.001 0.000 0.285 430 I C -0.194 176.022 176.117 0.166 0.000 1.085 430 I CA -0.044 61.322 61.300 0.111 0.000 1.403 430 I CB 0.887 38.965 38.000 0.131 0.000 1.409 430 I HN 0.848 nan 8.210 nan 0.000 0.557 431 A N 5.261 128.177 122.820 0.161 0.000 2.252 431 A HA 0.694 5.014 4.320 -0.001 0.000 0.305 431 A C 0.221 177.949 177.584 0.240 0.000 1.097 431 A CA -0.121 52.034 52.037 0.196 0.000 0.849 431 A CB 0.457 19.543 19.000 0.143 0.000 1.142 431 A HN 0.843 nan 8.150 nan 0.000 0.499 432 G N -0.550 108.391 108.800 0.236 0.000 2.507 432 G HA2 0.467 4.426 3.960 -0.001 0.000 0.271 432 G HA3 0.467 4.426 3.960 -0.001 0.000 0.271 432 G C 0.120 174.940 174.900 -0.133 0.000 1.189 432 G CA -0.605 44.478 45.100 -0.027 0.000 0.859 432 G HN 0.854 nan 8.290 nan 0.000 0.542 433 R N 0.851 121.201 120.500 -0.250 0.000 2.442 433 R HA 0.228 4.567 4.340 -0.001 0.000 0.291 433 R C 0.900 177.102 176.300 -0.164 0.000 1.069 433 R CA -0.479 55.477 56.100 -0.240 0.000 1.022 433 R CB 0.863 31.014 30.300 -0.249 0.000 0.976 433 R HN 0.256 nan 8.270 nan 0.000 0.443 434 V N 3.776 123.579 119.914 -0.186 0.000 2.374 434 V HA 0.044 4.163 4.120 -0.001 0.000 0.241 434 V C 1.048 177.117 176.094 -0.042 0.000 1.034 434 V CA 1.588 63.846 62.300 -0.071 0.000 1.037 434 V CB -0.395 31.396 31.823 -0.053 0.000 0.682 434 V HN 0.905 nan 8.190 nan 0.000 0.463 435 A N -0.604 122.186 122.820 -0.049 0.000 2.259 435 A HA 0.542 4.861 4.320 -0.001 0.000 0.278 435 A C 1.457 178.993 177.584 -0.081 0.000 1.107 435 A CA 0.529 52.539 52.037 -0.046 0.000 0.828 435 A CB 0.009 18.999 19.000 -0.017 0.000 1.111 435 A HN 1.360 nan 8.150 nan 0.000 0.498 436 G N -1.748 107.007 108.800 -0.074 0.000 2.194 436 G HA2 0.349 4.308 3.960 -0.001 0.000 0.236 436 G HA3 0.349 4.308 3.960 -0.001 0.000 0.236 436 G C 1.616 176.474 174.900 -0.070 0.000 0.987 436 G CA 0.596 45.650 45.100 -0.078 0.000 0.635 436 G HN 3.062 nan 8.290 nan 0.000 0.520 437 G N -0.566 108.195 108.800 -0.065 0.000 2.758 437 G HA2 0.245 4.204 3.960 -0.001 0.000 0.686 437 G HA3 0.245 4.204 3.960 -0.001 0.000 0.686 437 G C 0.275 175.148 174.900 -0.044 0.000 1.389 437 G CA 0.390 45.459 45.100 -0.052 0.000 0.845 437 G HN 1.664 nan 8.290 nan 0.000 0.572 438 R N -0.979 119.505 120.500 -0.027 0.000 3.322 438 R HA -0.221 4.119 4.340 -0.001 0.000 0.253 438 R C 0.598 176.890 176.300 -0.014 0.000 0.987 438 R CA 1.093 57.183 56.100 -0.016 0.000 0.666 438 R CB -1.187 29.100 30.300 -0.021 0.000 1.072 438 R HN 0.718 nan 8.270 nan 0.000 0.447 439 N N -0.764 117.936 118.700 0.000 0.000 2.232 439 N HA 0.094 4.834 4.740 -0.001 0.000 0.240 439 N C -0.922 174.631 175.510 0.072 0.000 1.307 439 N CA -0.037 53.020 53.050 0.012 0.000 0.859 439 N CB 1.172 39.633 38.487 -0.044 0.000 1.260 439 N HN 0.047 nan 8.380 nan 0.000 0.501 440 V N 3.575 123.536 119.914 0.079 0.000 2.427 440 V HA 0.319 4.438 4.120 -0.001 0.000 0.268 440 V C -1.926 174.206 176.094 0.063 0.000 1.046 440 V CA -1.272 61.095 62.300 0.111 0.000 0.970 440 V CB 0.855 32.749 31.823 0.117 0.000 1.001 440 V HN 0.145 nan 8.190 nan 0.000 0.476 441 P HA 0.125 nan 4.420 nan 0.000 0.268 441 P C 1.075 178.310 177.300 -0.108 0.000 1.205 441 P CA -0.147 62.942 63.100 -0.017 0.000 0.771 441 P CB 0.911 32.588 31.700 -0.038 0.000 0.858 442 I N 2.186 122.693 120.570 -0.105 0.000 2.264 442 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 442 I C 2.310 178.321 176.117 -0.178 0.000 1.111 442 I CA 1.860 63.096 61.300 -0.106 0.000 1.382 442 I CB -1.960 35.999 38.000 -0.069 0.000 1.060 442 I HN 0.376 nan 8.210 nan 0.000 0.418 443 A N 0.825 123.446 122.820 -0.333 0.000 2.024 443 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 443 A C 1.876 179.256 177.584 -0.340 0.000 1.164 443 A CA 1.897 53.665 52.037 -0.449 0.000 0.643 443 A CB -0.711 17.642 19.000 -1.078 0.000 0.806 443 A HN 0.398 nan 8.150 nan 0.000 0.451 444 V N -1.588 118.143 119.914 -0.306 0.000 3.043 444 V HA 0.141 4.261 4.120 -0.001 0.000 0.357 444 V C 1.393 177.385 176.094 -0.170 0.000 1.372 444 V CA 0.470 62.656 62.300 -0.189 0.000 1.214 444 V CB -0.858 30.879 31.823 -0.143 0.000 1.224 444 V HN 0.718 nan 8.190 nan 0.000 0.507 445 Q N 1.593 121.318 119.800 -0.125 0.000 2.170 445 Q HA -0.084 4.255 4.340 -0.001 0.000 0.203 445 Q C 1.986 177.944 176.000 -0.071 0.000 0.976 445 Q CA 2.214 57.967 55.803 -0.083 0.000 0.858 445 Q CB -0.434 28.273 28.738 -0.053 0.000 0.907 445 Q HN 0.625 nan 8.270 nan 0.000 0.433 446 A N 0.944 123.724 122.820 -0.067 0.000 1.969 446 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 446 A C 2.255 179.802 177.584 -0.061 0.000 1.169 446 A CA 1.254 53.262 52.037 -0.048 0.000 0.635 446 A CB -0.421 18.560 19.000 -0.031 0.000 0.810 446 A HN 0.261 nan 8.150 nan 0.000 0.445 447 V N -0.336 119.516 119.914 -0.104 0.000 2.407 447 V HA -0.138 3.981 4.120 -0.001 0.000 0.245 447 V C 2.994 179.005 176.094 -0.138 0.000 1.041 447 V CA 1.588 63.819 62.300 -0.115 0.000 1.040 447 V CB -1.289 30.445 31.823 -0.148 0.000 0.671 447 V HN 0.557 nan 8.190 nan 0.000 0.455 448 A N 0.376 123.050 122.820 -0.243 0.000 1.908 448 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 448 A C 2.334 179.962 177.584 0.073 0.000 1.181 448 A CA 2.392 54.430 52.037 0.002 0.000 0.627 448 A CB -0.513 18.522 19.000 0.058 0.000 0.818 448 A HN 0.536 nan 8.150 nan 0.000 0.445 449 K N -0.327 120.083 120.400 0.017 0.000 2.057 449 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 449 K C 2.112 178.700 176.600 -0.019 0.000 1.049 449 K CA 1.268 57.565 56.287 0.016 0.000 0.931 449 K CB -0.368 32.133 32.500 0.001 0.000 0.714 449 K HN 0.347 nan 8.250 nan 0.000 0.440 450 A N 0.520 123.318 122.820 -0.037 0.000 1.940 450 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 450 A C 2.163 179.678 177.584 -0.115 0.000 1.176 450 A CA 2.158 54.164 52.037 -0.052 0.000 0.631 450 A CB -0.706 18.275 19.000 -0.032 0.000 0.814 450 A HN 0.384 nan 8.150 nan 0.000 0.446 451 S N -0.271 115.317 115.700 -0.186 0.000 2.368 451 S HA -0.118 4.351 4.470 -0.001 0.000 0.225 451 S C 1.795 176.114 174.600 -0.467 0.000 1.030 451 S CA 1.528 59.425 58.200 -0.505 0.000 0.999 451 S CB -0.476 62.095 63.200 -1.049 0.000 0.844 451 S HN 0.572 nan 8.310 nan 0.000 0.459 452 I N 1.654 122.095 120.570 -0.216 0.000 2.163 452 I HA -0.174 3.996 4.170 -0.001 0.000 0.240 452 I C 2.065 178.129 176.117 -0.087 0.000 1.081 452 I CA 1.136 62.407 61.300 -0.048 0.000 1.353 452 I CB -0.482 37.578 38.000 0.100 0.000 1.054 452 I HN 0.147 nan 8.210 nan 0.000 0.407 453 D N 0.667 121.023 120.400 -0.072 0.000 2.123 453 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 453 D C 2.245 178.490 176.300 -0.090 0.000 0.992 453 D CA 1.362 55.327 54.000 -0.058 0.000 0.833 453 D CB -0.280 40.498 40.800 -0.037 0.000 0.954 453 D HN 0.465 nan 8.370 nan 0.000 0.455 454 Q N 0.116 119.833 119.800 -0.138 0.000 2.187 454 Q HA -0.009 4.331 4.340 -0.001 0.000 0.199 454 Q C 2.280 178.107 176.000 -0.288 0.000 0.957 454 Q CA 0.671 56.382 55.803 -0.152 0.000 0.857 454 Q CB 0.126 28.793 28.738 -0.119 0.000 0.929 454 Q HN 0.099 nan 8.270 nan 0.000 0.453 455 S N 0.851 116.282 115.700 -0.448 0.000 2.370 455 S HA -0.153 4.316 4.470 -0.001 0.000 0.226 455 S C 1.788 176.165 174.600 -0.371 0.000 1.033 455 S CA 1.175 58.908 58.200 -0.778 0.000 1.011 455 S CB -0.116 62.679 63.200 -0.675 0.000 0.852 455 S HN 0.325 nan 8.310 nan 0.000 0.457 456 R N 0.950 121.357 120.500 -0.156 0.000 2.075 456 R HA -0.012 4.328 4.340 -0.001 0.000 0.232 456 R C 2.478 178.776 176.300 -0.005 0.000 1.126 456 R CA 1.199 57.282 56.100 -0.028 0.000 0.963 456 R CB -0.251 30.048 30.300 -0.002 0.000 0.858 456 R HN 0.500 nan 8.270 nan 0.000 0.435 457 E N 0.887 121.071 120.200 -0.027 0.000 2.118 457 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 457 E C 1.617 178.242 176.600 0.041 0.000 0.992 457 E CA 1.220 57.627 56.400 0.012 0.000 0.804 457 E CB 0.073 29.778 29.700 0.009 0.000 0.741 457 E HN 0.282 nan 8.360 nan 0.000 0.458 458 M N 0.185 119.796 119.600 0.017 0.000 2.618 458 M HA 0.006 4.486 4.480 -0.001 0.000 0.240 458 M C -0.260 176.159 176.300 0.198 0.000 1.123 458 M CA 0.354 55.717 55.300 0.105 0.000 1.060 458 M CB 0.480 33.149 32.600 0.115 0.000 1.535 458 M HN -0.135 nan 8.290 nan 0.000 0.507 459 K N -0.193 120.299 120.400 0.153 0.000 3.150 459 K HA -0.190 4.130 4.320 -0.001 0.000 0.267 459 K C -1.244 175.513 176.600 0.262 0.000 1.028 459 K CA 0.628 57.012 56.287 0.160 0.000 0.753 459 K CB -2.669 29.892 32.500 0.102 0.000 1.288 459 K HN 0.293 nan 8.250 nan 0.000 0.473 460 Y N 1.273 121.619 120.300 0.077 0.000 2.712 460 Y HA -0.041 4.508 4.550 -0.001 0.000 0.333 460 Y C 1.861 177.857 175.900 0.161 0.000 1.225 460 Y CA 0.110 58.303 58.100 0.155 0.000 1.499 460 Y CB 0.430 38.973 38.460 0.138 0.000 1.288 460 Y HN 0.176 nan 8.280 nan 0.000 0.575 461 Q N 1.078 121.033 119.800 0.257 0.000 2.500 461 Q HA 0.218 4.557 4.340 -0.001 0.000 0.215 461 Q C 0.343 176.493 176.000 0.250 0.000 1.062 461 Q CA -0.303 55.562 55.803 0.103 0.000 0.996 461 Q CB 0.486 29.112 28.738 -0.187 0.000 1.239 461 Q HN 0.794 nan 8.270 nan 0.000 0.578 462 S N -0.181 115.598 115.700 0.133 0.000 2.608 462 S HA 0.016 4.485 4.470 -0.001 0.000 0.261 462 S C 0.972 175.709 174.600 0.229 0.000 1.314 462 S CA -0.615 57.680 58.200 0.160 0.000 0.992 462 S CB 0.511 63.755 63.200 0.073 0.000 0.935 462 S HN 0.651 nan 8.310 nan 0.000 0.564 463 L N 1.405 122.732 121.223 0.174 0.000 1.997 463 L HA -0.175 4.165 4.340 -0.001 0.000 0.216 463 L C 1.981 178.934 176.870 0.138 0.000 1.074 463 L CA 2.174 57.112 54.840 0.164 0.000 0.763 463 L CB -1.375 40.737 42.059 0.089 0.000 0.890 463 L HN 0.753 nan 8.230 nan 0.000 0.434 464 N N -0.383 118.356 118.700 0.065 0.000 2.244 464 N HA -0.145 4.594 4.740 -0.001 0.000 0.183 464 N C 1.736 177.240 175.510 -0.011 0.000 1.016 464 N CA 1.173 54.230 53.050 0.011 0.000 0.866 464 N CB -0.223 38.250 38.487 -0.023 0.000 0.980 464 N HN 0.483 nan 8.380 nan 0.000 0.430 465 E N 0.036 120.221 120.200 -0.023 0.000 2.051 465 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 465 E C 1.862 178.383 176.600 -0.131 0.000 0.991 465 E CA 0.905 57.234 56.400 -0.120 0.000 0.799 465 E CB -0.535 29.044 29.700 -0.203 0.000 0.748 465 E HN 0.530 nan 8.360 nan 0.000 0.449 466 Y N 1.069 121.387 120.300 0.030 0.000 2.224 466 Y HA -0.132 4.418 4.550 -0.001 0.000 0.289 466 Y C 2.662 178.643 175.900 0.135 0.000 1.146 466 Y CA 1.270 59.430 58.100 0.100 0.000 1.182 466 Y CB -0.072 38.429 38.460 0.067 0.000 0.983 466 Y HN -0.020 nan 8.280 nan 0.000 0.524 467 R N 0.336 120.938 120.500 0.170 0.000 2.083 467 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 467 R C 2.148 178.481 176.300 0.055 0.000 1.137 467 R CA 1.745 57.889 56.100 0.073 0.000 0.951 467 R CB -0.266 30.002 30.300 -0.052 0.000 0.851 467 R HN 0.319 nan 8.270 nan 0.000 0.434 468 K N 0.033 120.432 120.400 -0.002 0.000 2.097 468 K HA -0.177 4.143 4.320 -0.001 0.000 0.206 468 K C 2.114 178.683 176.600 -0.051 0.000 1.049 468 K CA 1.211 57.470 56.287 -0.046 0.000 0.933 468 K CB -0.149 32.297 32.500 -0.089 0.000 0.717 468 K HN -0.062 nan 8.250 nan 0.000 0.442 469 R N 0.811 121.287 120.500 -0.039 0.000 2.127 469 R HA -0.122 4.218 4.340 -0.001 0.000 0.238 469 R C 0.786 176.905 176.300 -0.302 0.000 1.134 469 R CA 1.507 57.520 56.100 -0.144 0.000 0.975 469 R CB -0.279 29.962 30.300 -0.098 0.000 0.865 469 R HN 0.081 nan 8.270 nan 0.000 0.447 470 F N 0.406 120.305 119.950 -0.085 0.000 2.750 470 F HA 0.325 4.852 4.527 -0.001 0.000 0.297 470 F C 0.339 176.093 175.800 -0.077 0.000 1.138 470 F CA -0.108 57.825 58.000 -0.112 0.000 1.346 470 F CB 0.246 39.182 39.000 -0.108 0.000 0.965 470 F HN -0.096 nan 8.300 nan 0.000 0.514 471 S N 0.765 116.481 115.700 0.026 0.000 3.641 471 S HA -0.196 4.273 4.470 -0.001 0.000 0.346 471 S C -0.155 174.467 174.600 0.037 0.000 1.074 471 S CA 0.306 58.529 58.200 0.039 0.000 1.026 471 S CB -2.073 61.182 63.200 0.091 0.000 0.908 471 S HN 0.315 nan 8.310 nan 0.000 0.479 472 L N -0.009 121.222 121.223 0.014 0.000 2.334 472 L HA 0.535 4.874 4.340 -0.001 0.000 0.273 472 L C 0.457 177.275 176.870 -0.086 0.000 1.013 472 L CA -0.989 53.830 54.840 -0.036 0.000 0.816 472 L CB 1.280 43.305 42.059 -0.055 0.000 1.278 472 L HN 0.030 nan 8.230 nan 0.000 0.431 473 K N 2.293 122.621 120.400 -0.121 0.000 2.401 473 K HA 0.244 4.563 4.320 -0.001 0.000 0.278 473 K C -2.438 174.024 176.600 -0.230 0.000 1.018 473 K CA -1.145 55.057 56.287 -0.141 0.000 0.981 473 K CB 0.595 33.023 32.500 -0.119 0.000 0.933 473 K HN 0.329 nan 8.250 nan 0.000 0.477 474 P HA 0.090 nan 4.420 nan 0.000 0.269 474 P C -0.751 176.431 177.300 -0.197 0.000 1.209 474 P CA -0.074 62.920 63.100 -0.177 0.000 0.776 474 P CB 0.140 31.782 31.700 -0.096 0.000 0.876 475 Y N 0.326 120.578 120.300 -0.081 0.000 2.359 475 Y HA 0.102 4.651 4.550 -0.002 0.000 0.330 475 Y C 2.043 177.866 175.900 -0.129 0.000 1.143 475 Y CA 0.490 58.528 58.100 -0.104 0.000 1.318 475 Y CB 0.028 38.407 38.460 -0.135 0.000 1.234 475 Y HN 0.382 nan 8.280 nan 0.000 0.522 476 T N -2.517 112.082 114.554 0.076 0.000 3.060 476 T HA 0.243 4.593 4.350 -0.001 0.000 0.249 476 T C 0.218 174.890 174.700 -0.047 0.000 1.079 476 T CA 0.407 62.505 62.100 -0.003 0.000 1.013 476 T CB -0.184 68.689 68.868 0.008 0.000 0.975 476 T HN 0.515 nan 8.240 nan 0.000 0.518 477 S N -1.006 114.648 115.700 -0.078 0.000 2.587 477 S HA 0.555 5.024 4.470 -0.001 0.000 0.269 477 S C -0.210 174.258 174.600 -0.221 0.000 1.154 477 S CA -0.938 57.184 58.200 -0.130 0.000 0.824 477 S CB 0.177 63.372 63.200 -0.009 0.000 1.118 477 S HN -0.095 nan 8.310 nan 0.000 0.462 478 F N 1.191 121.109 119.950 -0.054 0.000 2.186 478 F HA 0.083 4.609 4.527 -0.001 0.000 0.299 478 F C 2.580 178.303 175.800 -0.129 0.000 1.090 478 F CA 1.609 59.547 58.000 -0.104 0.000 1.307 478 F CB -0.436 38.527 39.000 -0.062 0.000 1.019 478 F HN 0.718 nan 8.300 nan 0.000 0.489 479 E N -0.025 120.228 120.200 0.089 0.000 2.118 479 E HA -0.262 4.088 4.350 -0.001 0.000 0.195 479 E C 2.137 178.710 176.600 -0.045 0.000 0.992 479 E CA 1.292 57.703 56.400 0.019 0.000 0.804 479 E CB -0.264 29.455 29.700 0.031 0.000 0.741 479 E HN 0.513 nan 8.360 nan 0.000 0.458 480 E N 0.651 120.812 120.200 -0.065 0.000 2.106 480 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 480 E C 2.195 178.614 176.600 -0.301 0.000 0.984 480 E CA 0.477 56.837 56.400 -0.068 0.000 0.806 480 E CB 0.055 29.789 29.700 0.057 0.000 0.750 480 E HN 0.099 nan 8.360 nan 0.000 0.458 481 L N 0.876 121.735 121.223 -0.608 0.000 1.994 481 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 481 L C 2.510 179.118 176.870 -0.436 0.000 1.071 481 L CA 2.782 57.029 54.840 -0.989 0.000 0.745 481 L CB -0.985 40.615 42.059 -0.765 0.000 0.892 481 L HN 0.249 nan 8.230 nan 0.000 0.431 482 T N -4.043 110.377 114.554 -0.223 0.000 3.054 482 T HA 0.250 4.600 4.350 -0.001 0.000 0.259 482 T C 1.574 176.224 174.700 -0.085 0.000 1.092 482 T CA 0.490 62.517 62.100 -0.122 0.000 1.121 482 T CB -0.400 68.428 68.868 -0.066 0.000 0.912 482 T HN 0.774 nan 8.240 nan 0.000 0.489 483 G N 1.803 110.558 108.800 -0.075 0.000 2.153 483 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.252 483 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.252 483 G C -0.155 174.728 174.900 -0.028 0.000 0.994 483 G CA 0.719 45.795 45.100 -0.039 0.000 0.698 483 G HN 1.022 nan 8.290 nan 0.000 0.521 484 E N -2.321 117.862 120.200 -0.028 0.000 2.433 484 E HA 0.811 5.160 4.350 -0.001 0.000 0.264 484 E C 0.709 177.302 176.600 -0.012 0.000 0.960 484 E CA -0.825 55.563 56.400 -0.020 0.000 0.866 484 E CB 0.194 29.879 29.700 -0.026 0.000 1.615 484 E HN 0.022 nan 8.360 nan 0.000 0.442 485 K N -0.499 119.895 120.400 -0.011 0.000 2.329 485 K HA 0.135 4.454 4.320 -0.001 0.000 0.198 485 K C 1.658 178.251 176.600 -0.011 0.000 1.085 485 K CA 0.460 56.744 56.287 -0.005 0.000 0.961 485 K CB 0.351 32.849 32.500 -0.004 0.000 0.971 485 K HN 0.578 nan 8.250 nan 0.000 0.502 486 E N 1.436 121.626 120.200 -0.017 0.000 2.028 486 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 486 E C 2.010 178.592 176.600 -0.030 0.000 0.984 486 E CA 1.024 57.411 56.400 -0.022 0.000 0.800 486 E CB 0.131 29.818 29.700 -0.022 0.000 0.758 486 E HN 0.143 nan 8.360 nan 0.000 0.448 487 M N 0.332 119.914 119.600 -0.030 0.000 2.175 487 M HA -0.108 4.371 4.480 -0.001 0.000 0.264 487 M C 2.456 178.728 176.300 -0.047 0.000 1.063 487 M CA 1.297 56.575 55.300 -0.036 0.000 1.119 487 M CB -0.168 32.413 32.600 -0.032 0.000 1.377 487 M HN 0.216 nan 8.290 nan 0.000 0.415 488 A N 0.659 123.463 122.820 -0.026 0.000 1.883 488 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 488 A C 2.373 179.907 177.584 -0.083 0.000 1.186 488 A CA 2.144 54.180 52.037 -0.001 0.000 0.624 488 A CB -1.011 18.022 19.000 0.055 0.000 0.822 488 A HN 0.508 nan 8.150 nan 0.000 0.444 489 A N -0.539 122.246 122.820 -0.059 0.000 1.933 489 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 489 A C 1.947 179.460 177.584 -0.118 0.000 1.175 489 A CA 1.651 53.644 52.037 -0.073 0.000 0.628 489 A CB -0.446 18.531 19.000 -0.039 0.000 0.814 489 A HN 0.536 nan 8.150 nan 0.000 0.444 490 E N 0.009 120.145 120.200 -0.107 0.000 2.077 490 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 490 E C 2.041 178.543 176.600 -0.163 0.000 0.989 490 E CA 1.179 57.516 56.400 -0.106 0.000 0.800 490 E CB -0.392 29.267 29.700 -0.067 0.000 0.746 490 E HN 0.686 nan 8.360 nan 0.000 0.452 491 L N 0.702 121.774 121.223 -0.252 0.000 2.109 491 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 491 L C 2.546 178.918 176.870 -0.829 0.000 1.086 491 L CA 0.904 55.510 54.840 -0.391 0.000 0.760 491 L CB -0.310 41.494 42.059 -0.426 0.000 0.910 491 L HN 0.025 nan 8.230 nan 0.000 0.437 492 K N 0.902 120.731 120.400 -0.950 0.000 2.057 492 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 492 K C 2.022 178.476 176.600 -0.244 0.000 1.049 492 K CA 1.642 57.536 56.287 -0.655 0.000 0.931 492 K CB -0.321 32.044 32.500 -0.224 0.000 0.714 492 K HN 0.209 nan 8.250 nan 0.000 0.440 493 A N 0.262 122.969 122.820 -0.188 0.000 1.969 493 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 493 A C 2.145 179.663 177.584 -0.111 0.000 1.169 493 A CA 1.393 53.366 52.037 -0.107 0.000 0.635 493 A CB -0.487 18.460 19.000 -0.088 0.000 0.810 493 A HN 0.315 nan 8.150 nan 0.000 0.445 494 L N -2.975 118.160 121.223 -0.147 0.000 2.127 494 L HA -0.043 4.296 4.340 -0.001 0.000 0.203 494 L C 2.197 178.911 176.870 -0.260 0.000 1.080 494 L CA 1.082 55.797 54.840 -0.208 0.000 0.768 494 L CB -0.283 41.629 42.059 -0.244 0.000 0.924 494 L HN 0.471 nan 8.230 nan 0.000 0.444 495 Y N -1.703 118.540 120.300 -0.096 0.000 2.498 495 Y HA 0.070 4.620 4.550 -0.000 0.000 0.259 495 Y C 1.944 177.917 175.900 0.121 0.000 1.086 495 Y CA 0.433 58.564 58.100 0.052 0.000 1.287 495 Y CB 0.649 39.228 38.460 0.198 0.000 1.146 495 Y HN 0.062 nan 8.280 nan 0.000 0.523 496 S N -0.848 114.984 115.700 0.220 0.000 1.619 496 S HA -0.281 4.188 4.470 -0.001 0.000 0.235 496 S C -0.014 174.783 174.600 0.329 0.000 0.805 496 S CA 1.838 60.162 58.200 0.207 0.000 1.403 496 S CB -1.176 62.100 63.200 0.127 0.000 1.782 496 S HN 0.533 nan 8.310 nan 0.000 0.524 497 D N 0.323 120.929 120.400 0.345 0.000 2.391 497 D HA 0.566 5.205 4.640 -0.001 0.000 0.245 497 D C 0.611 176.996 176.300 0.142 0.000 1.069 497 D CA -0.534 53.598 54.000 0.221 0.000 0.831 497 D CB 1.334 42.209 40.800 0.124 0.000 1.204 497 D HN 0.110 nan 8.370 nan 0.000 0.503 498 I N 2.955 123.396 120.570 -0.214 0.000 2.423 498 I HA -0.196 3.973 4.170 -0.001 0.000 0.254 498 I C 1.043 177.003 176.117 -0.261 0.000 1.151 498 I CA 1.490 62.397 61.300 -0.656 0.000 1.421 498 I CB 0.018 37.606 38.000 -0.687 0.000 1.079 498 I HN 0.346 nan 8.210 nan 0.000 0.431 499 D N -0.449 119.889 120.400 -0.104 0.000 2.363 499 D HA 0.003 4.642 4.640 -0.001 0.000 0.220 499 D C 1.812 178.115 176.300 0.005 0.000 0.994 499 D CA 1.200 55.173 54.000 -0.044 0.000 0.890 499 D CB 0.113 40.896 40.800 -0.028 0.000 0.906 499 D HN 0.443 nan 8.370 nan 0.000 0.530 500 V N -2.226 117.719 119.914 0.051 0.000 3.319 500 V HA 0.309 4.429 4.120 -0.001 0.000 0.317 500 V C 0.525 176.688 176.094 0.114 0.000 1.411 500 V CA -0.603 61.768 62.300 0.118 0.000 1.112 500 V CB -0.262 31.669 31.823 0.181 0.000 1.031 500 V HN -0.143 nan 8.190 nan 0.000 0.448 501 M N 2.561 122.129 119.600 -0.053 0.000 2.248 501 M HA 0.293 4.772 4.480 -0.001 0.000 0.345 501 M C 0.201 176.427 176.300 -0.123 0.000 1.243 501 M CA 0.370 55.480 55.300 -0.316 0.000 1.090 501 M CB -0.223 32.222 32.600 -0.260 0.000 1.683 501 M HN 0.507 nan 8.290 nan 0.000 0.450 502 E N 3.306 123.434 120.200 -0.121 0.000 2.349 502 E HA 0.091 4.441 4.350 -0.001 0.000 0.265 502 E C 0.610 177.252 176.600 0.070 0.000 1.064 502 E CA -0.504 55.946 56.400 0.083 0.000 0.886 502 E CB 0.911 30.720 29.700 0.183 0.000 1.036 502 E HN 0.787 nan 8.360 nan 0.000 0.413 503 L N 3.053 124.356 121.223 0.134 0.000 1.994 503 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 503 L C 2.052 178.962 176.870 0.068 0.000 1.071 503 L CA 1.861 56.754 54.840 0.087 0.000 0.745 503 L CB -0.635 41.441 42.059 0.028 0.000 0.892 503 L HN 0.710 nan 8.230 nan 0.000 0.431 504 Y N 1.509 121.805 120.300 -0.006 0.000 2.114 504 Y HA -0.072 4.478 4.550 -0.000 0.000 0.284 504 Y C -0.628 175.281 175.900 0.015 0.000 1.143 504 Y CA 1.899 59.985 58.100 -0.023 0.000 1.135 504 Y CB -1.820 36.596 38.460 -0.073 0.000 0.980 504 Y HN 0.260 nan 8.280 nan 0.000 0.499 505 P HA -0.165 nan 4.420 nan 0.000 0.218 505 P C 1.336 178.537 177.300 -0.165 0.000 1.149 505 P CA 2.227 65.214 63.100 -0.188 0.000 0.817 505 P CB -0.334 31.395 31.700 0.048 0.000 0.785 506 A N 0.328 123.086 122.820 -0.105 0.000 1.908 506 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 506 A C 2.385 179.911 177.584 -0.097 0.000 1.181 506 A CA 1.461 53.447 52.037 -0.085 0.000 0.627 506 A CB -1.656 17.319 19.000 -0.042 0.000 0.818 506 A HN 0.143 nan 8.150 nan 0.000 0.445 507 L N -0.703 120.446 121.223 -0.122 0.000 2.131 507 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 507 L C 2.228 179.022 176.870 -0.127 0.000 1.092 507 L CA 0.870 55.642 54.840 -0.114 0.000 0.759 507 L CB -0.402 41.592 42.059 -0.108 0.000 0.903 507 L HN 0.364 nan 8.230 nan 0.000 0.435 508 L N -0.679 120.425 121.223 -0.199 0.000 2.446 508 L HA -0.019 4.320 4.340 -0.001 0.000 0.219 508 L C 1.993 178.803 176.870 -0.100 0.000 1.116 508 L CA 0.362 55.111 54.840 -0.152 0.000 0.844 508 L CB -0.108 41.821 42.059 -0.217 0.000 0.970 508 L HN 0.257 nan 8.230 nan 0.000 0.457 509 V N -4.305 115.549 119.914 -0.100 0.000 3.643 509 V HA 0.157 4.276 4.120 -0.001 0.000 0.280 509 V C 0.903 176.947 176.094 -0.083 0.000 1.351 509 V CA -0.352 61.901 62.300 -0.078 0.000 1.073 509 V CB -0.066 31.719 31.823 -0.063 0.000 0.863 509 V HN 0.257 nan 8.190 nan 0.000 0.436 510 E N 2.399 122.548 120.200 -0.085 0.000 2.413 510 E HA 0.040 4.389 4.350 -0.001 0.000 0.263 510 E C 0.278 176.835 176.600 -0.072 0.000 1.015 510 E CA -0.326 56.020 56.400 -0.089 0.000 0.916 510 E CB 0.508 30.182 29.700 -0.043 0.000 0.947 510 E HN 0.496 nan 8.360 nan 0.000 0.440 511 K N 5.507 125.858 120.400 -0.081 0.000 2.437 511 K HA 0.043 4.363 4.320 -0.001 0.000 0.277 511 K C -2.244 174.336 176.600 -0.034 0.000 1.073 511 K CA -1.152 55.103 56.287 -0.053 0.000 1.105 511 K CB 0.282 32.756 32.500 -0.043 0.000 0.881 511 K HN 0.272 nan 8.250 nan 0.000 0.475 512 P HA 0.151 nan 4.420 nan 0.000 0.274 512 P C -0.728 176.542 177.300 -0.051 0.000 1.237 512 P CA -0.502 62.564 63.100 -0.057 0.000 0.793 512 P CB 0.612 32.258 31.700 -0.089 0.000 0.977 513 R N 2.266 122.721 120.500 -0.074 0.000 2.861 513 R HA 0.161 4.500 4.340 -0.001 0.000 0.268 513 R C -1.928 174.359 176.300 -0.022 0.000 1.027 513 R CA -1.047 55.013 56.100 -0.067 0.000 1.163 513 R CB -1.493 28.683 30.300 -0.207 0.000 1.060 513 R HN 0.398 nan 8.270 nan 0.000 0.483 514 P HA -0.034 nan 4.420 nan 0.000 0.261 514 P C -0.919 176.369 177.300 -0.020 0.000 1.203 514 P CA 0.613 63.728 63.100 0.025 0.000 0.767 514 P CB 0.326 32.073 31.700 0.078 0.000 0.785 515 D N -0.026 120.341 120.400 -0.056 0.000 2.911 515 D HA -0.203 4.437 4.640 -0.001 0.000 0.227 515 D C 0.237 176.453 176.300 -0.140 0.000 1.164 515 D CA 1.471 55.414 54.000 -0.095 0.000 0.782 515 D CB -1.235 39.511 40.800 -0.089 0.000 1.094 515 D HN 0.481 nan 8.370 nan 0.000 0.425 516 A N -0.141 122.592 122.820 -0.145 0.000 2.299 516 A HA 0.685 5.005 4.320 -0.001 0.000 0.332 516 A C 1.280 178.682 177.584 -0.303 0.000 1.131 516 A CA -0.481 51.426 52.037 -0.216 0.000 0.844 516 A CB 1.138 20.044 19.000 -0.156 0.000 1.251 516 A HN 0.125 nan 8.150 nan 0.000 0.486 517 I N -0.752 119.522 120.570 -0.494 0.000 2.617 517 I HA 0.119 4.288 4.170 -0.001 0.000 0.256 517 I C -0.410 175.332 176.117 -0.625 0.000 1.167 517 I CA 0.709 61.596 61.300 -0.688 0.000 1.469 517 I CB -0.141 37.218 38.000 -1.069 0.000 1.098 517 I HN 0.554 nan 8.210 nan 0.000 0.436 518 F N -0.631 119.151 119.950 -0.280 0.000 2.579 518 F HA 0.541 5.068 4.527 -0.001 0.000 0.324 518 F C 0.798 176.482 175.800 -0.194 0.000 1.058 518 F CA -1.095 56.751 58.000 -0.257 0.000 0.944 518 F CB 1.238 40.072 39.000 -0.278 0.000 1.245 518 F HN -0.216 nan 8.300 nan 0.000 0.477 519 G N -0.064 108.779 108.800 0.071 0.000 2.535 519 G HA2 0.166 4.126 3.960 -0.001 0.000 0.303 519 G HA3 0.166 4.126 3.960 -0.001 0.000 0.303 519 G C 0.462 175.358 174.900 -0.007 0.000 1.237 519 G CA -0.338 44.767 45.100 0.008 0.000 0.986 519 G HN 0.794 nan 8.290 nan 0.000 0.494 520 E N -1.010 119.188 120.200 -0.002 0.000 2.085 520 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 520 E C 2.341 178.926 176.600 -0.024 0.000 0.994 520 E CA 1.841 58.233 56.400 -0.014 0.000 0.801 520 E CB -0.181 29.526 29.700 0.012 0.000 0.743 520 E HN 0.470 nan 8.360 nan 0.000 0.453 521 T N 1.002 115.551 114.554 -0.007 0.000 2.746 521 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 521 T C 1.736 176.371 174.700 -0.107 0.000 1.039 521 T CA 1.560 63.635 62.100 -0.041 0.000 1.142 521 T CB -0.250 68.626 68.868 0.013 0.000 0.866 521 T HN 0.165 nan 8.240 nan 0.000 0.444 522 M N 1.268 120.792 119.600 -0.127 0.000 2.080 522 M HA -0.064 4.415 4.480 -0.001 0.000 0.260 522 M C 2.129 178.298 176.300 -0.219 0.000 1.068 522 M CA 1.484 56.642 55.300 -0.237 0.000 1.109 522 M CB -0.672 31.649 32.600 -0.464 0.000 1.342 522 M HN 0.064 nan 8.290 nan 0.000 0.405 523 V N 0.191 120.016 119.914 -0.148 0.000 2.307 523 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 523 V C 2.363 178.429 176.094 -0.046 0.000 1.045 523 V CA 1.795 64.059 62.300 -0.059 0.000 1.024 523 V CB -0.880 30.949 31.823 0.011 0.000 0.651 523 V HN 0.424 nan 8.190 nan 0.000 0.449 524 E N -0.292 119.868 120.200 -0.067 0.000 2.274 524 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 524 E C 1.972 178.442 176.600 -0.217 0.000 0.996 524 E CA 0.802 57.164 56.400 -0.064 0.000 0.840 524 E CB -0.059 29.630 29.700 -0.019 0.000 0.772 524 E HN 0.409 nan 8.360 nan 0.000 0.491 525 L N -0.444 120.554 121.223 -0.375 0.000 2.168 525 L HA 0.114 4.453 4.340 -0.001 0.000 0.203 525 L C 2.310 178.971 176.870 -0.348 0.000 1.078 525 L CA 1.418 55.807 54.840 -0.751 0.000 0.780 525 L CB -0.850 40.830 42.059 -0.632 0.000 0.939 525 L HN 0.116 nan 8.230 nan 0.000 0.451 526 G N -0.854 107.912 108.800 -0.056 0.000 2.402 526 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 526 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 526 G C 1.698 176.679 174.900 0.134 0.000 1.162 526 G CA 0.817 46.035 45.100 0.197 0.000 0.777 526 G HN 0.443 nan 8.290 nan 0.000 0.539 527 A N 1.554 124.404 122.820 0.050 0.000 1.902 527 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 527 A C 0.746 178.333 177.584 0.004 0.000 1.181 527 A CA 1.938 54.018 52.037 0.073 0.000 0.623 527 A CB -1.069 17.981 19.000 0.082 0.000 0.818 527 A HN 0.387 nan 8.150 nan 0.000 0.443 528 P HA -0.081 nan 4.420 nan 0.000 0.217 528 P C 0.979 178.168 177.300 -0.185 0.000 1.151 528 P CA 0.818 63.833 63.100 -0.143 0.000 0.828 528 P CB -0.167 31.417 31.700 -0.194 0.000 0.788 529 F N -0.045 119.748 119.950 -0.261 0.000 2.171 529 F HA -0.118 4.409 4.527 -0.001 0.000 0.300 529 F C 2.426 177.849 175.800 -0.629 0.000 1.090 529 F CA 1.229 58.855 58.000 -0.625 0.000 1.293 529 F CB -1.514 36.679 39.000 -1.344 0.000 1.013 529 F HN -0.114 nan 8.300 nan 0.000 0.486 530 S N 0.463 116.048 115.700 -0.192 0.000 2.338 530 S HA -0.133 4.336 4.470 -0.001 0.000 0.218 530 S C 2.197 176.871 174.600 0.123 0.000 1.032 530 S CA 1.185 59.456 58.200 0.119 0.000 0.999 530 S CB -0.705 62.697 63.200 0.336 0.000 0.905 530 S HN 0.270 nan 8.310 nan 0.000 0.439 531 L N 0.995 122.283 121.223 0.108 0.000 2.201 531 L HA -0.062 4.277 4.340 -0.001 0.000 0.212 531 L C 2.452 179.418 176.870 0.160 0.000 1.105 531 L CA 0.939 55.853 54.840 0.124 0.000 0.775 531 L CB -0.401 41.720 42.059 0.103 0.000 0.913 531 L HN 0.192 nan 8.230 nan 0.000 0.440 532 K N 0.910 121.391 120.400 0.134 0.000 2.026 532 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 532 K C 1.983 178.657 176.600 0.123 0.000 1.048 532 K CA 1.559 57.943 56.287 0.162 0.000 0.929 532 K CB -0.720 31.811 32.500 0.051 0.000 0.713 532 K HN 0.196 nan 8.250 nan 0.000 0.439 533 G N 0.051 108.873 108.800 0.037 0.000 2.443 533 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.219 533 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.219 533 G C 1.426 176.362 174.900 0.060 0.000 1.131 533 G CA 0.812 45.899 45.100 -0.021 0.000 0.775 533 G HN 0.260 nan 8.290 nan 0.000 0.547 534 L N -0.241 121.053 121.223 0.119 0.000 2.084 534 L HA 0.113 4.453 4.340 -0.001 0.000 0.202 534 L C 2.855 179.821 176.870 0.161 0.000 1.074 534 L CA 0.530 55.443 54.840 0.121 0.000 0.757 534 L CB -0.258 41.861 42.059 0.100 0.000 0.918 534 L HN 0.067 nan 8.230 nan 0.000 0.444 535 M N -0.318 119.403 119.600 0.201 0.000 2.419 535 M HA 0.060 4.540 4.480 -0.001 0.000 0.264 535 M C 2.215 178.800 176.300 0.474 0.000 1.082 535 M CA 1.089 56.527 55.300 0.230 0.000 1.119 535 M CB -1.575 30.988 32.600 -0.061 0.000 1.398 535 M HN 0.265 nan 8.290 nan 0.000 0.453 536 G N 0.727 109.818 108.800 0.486 0.000 2.509 536 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.218 536 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.218 536 G C 0.879 175.986 174.900 0.345 0.000 1.124 536 G CA -0.064 45.295 45.100 0.432 0.000 0.776 536 G HN 0.442 nan 8.290 nan 0.000 0.547 537 N N 1.136 119.999 118.700 0.272 0.000 2.412 537 N HA 0.019 4.759 4.740 -0.001 0.000 0.254 537 N C -1.042 174.560 175.510 0.153 0.000 1.232 537 N CA -1.076 52.082 53.050 0.179 0.000 0.880 537 N CB 1.818 40.404 38.487 0.165 0.000 1.076 537 N HN -0.040 nan 8.380 nan 0.000 0.458 538 P HA -0.158 nan 4.420 nan 0.000 0.219 538 P C 1.498 178.564 177.300 -0.390 0.000 1.146 538 P CA 1.187 64.120 63.100 -0.278 0.000 0.808 538 P CB -0.147 31.251 31.700 -0.503 0.000 0.779 539 I N -3.239 117.281 120.570 -0.083 0.000 2.756 539 I HA -0.115 4.055 4.170 -0.001 0.000 0.262 539 I C 1.607 178.028 176.117 0.508 0.000 1.225 539 I CA 1.321 62.810 61.300 0.315 0.000 1.472 539 I CB -1.050 37.311 38.000 0.601 0.000 1.094 539 I HN -0.163 nan 8.210 nan 0.000 0.454 540 C N 1.390 120.855 119.300 0.276 0.000 2.594 540 C HA 0.161 4.620 4.460 -0.001 0.000 0.265 540 C C 1.836 176.854 174.990 0.047 0.000 1.351 540 C CA 0.285 59.411 59.018 0.179 0.000 1.744 540 C CB -1.596 26.295 27.740 0.251 0.000 1.890 540 C HN 0.721 nan 8.230 nan 0.000 0.551 541 S N 2.435 117.966 115.700 -0.282 0.000 2.579 541 S HA 0.147 4.617 4.470 -0.001 0.000 0.275 541 S C -1.267 173.264 174.600 -0.115 0.000 1.345 541 S CA -0.554 57.220 58.200 -0.711 0.000 1.031 541 S CB 0.566 63.388 63.200 -0.630 0.000 0.892 541 S HN 0.183 nan 8.310 nan 0.000 0.529 542 P HA -0.130 nan 4.420 nan 0.000 0.218 542 P C 1.205 178.437 177.300 -0.114 0.000 1.148 542 P CA 1.204 63.982 63.100 -0.537 0.000 0.822 542 P CB 0.015 31.203 31.700 -0.854 0.000 0.784 543 Q N -1.969 117.809 119.800 -0.037 0.000 2.378 543 Q HA -0.065 4.274 4.340 -0.001 0.000 0.205 543 Q C 1.767 177.760 176.000 -0.012 0.000 0.954 543 Q CA 1.037 56.830 55.803 -0.017 0.000 0.901 543 Q CB -0.356 28.369 28.738 -0.022 0.000 0.981 543 Q HN 0.438 nan 8.270 nan 0.000 0.483 544 Y N -1.803 118.499 120.300 0.003 0.000 2.479 544 Y HA 0.015 4.564 4.550 -0.001 0.000 0.283 544 Y C 1.016 176.994 175.900 0.130 0.000 1.109 544 Y CA -0.196 57.916 58.100 0.020 0.000 1.239 544 Y CB 0.284 38.798 38.460 0.090 0.000 1.108 544 Y HN 0.174 nan 8.280 nan 0.000 0.548 545 W N 3.999 125.453 121.300 0.257 0.000 1.606 545 W HA 0.276 4.936 4.660 -0.001 0.000 0.455 545 W C -0.972 175.650 176.519 0.172 0.000 0.711 545 W CA 0.307 57.878 57.345 0.377 0.000 1.876 545 W CB -0.620 29.151 29.460 0.518 0.000 1.776 545 W HN -0.033 nan 8.180 nan 0.000 0.229 546 K N 3.430 123.623 120.400 -0.345 0.000 2.527 546 K HA 0.206 4.525 4.320 -0.001 0.000 0.260 546 K C -1.961 174.131 176.600 -0.847 0.000 0.937 546 K CA -1.606 54.368 56.287 -0.521 0.000 0.826 546 K CB 2.424 34.765 32.500 -0.265 0.000 1.359 546 K HN -0.208 nan 8.250 nan 0.000 0.434 547 P HA -0.232 nan 4.420 nan 0.000 0.216 547 P C 1.115 178.274 177.300 -0.236 0.000 1.150 547 P CA 1.437 64.188 63.100 -0.583 0.000 0.837 547 P CB 0.178 31.750 31.700 -0.214 0.000 0.786 548 S N -1.949 113.621 115.700 -0.218 0.000 2.423 548 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 548 S C 1.820 176.302 174.600 -0.198 0.000 1.014 548 S CA 1.655 59.780 58.200 -0.125 0.000 0.965 548 S CB -1.966 61.171 63.200 -0.104 0.000 0.785 548 S HN 0.108 nan 8.310 nan 0.000 0.495 549 T N 1.441 115.739 114.554 -0.427 0.000 2.849 549 T HA 0.012 4.362 4.350 -0.001 0.000 0.270 549 T C 0.433 174.732 174.700 -0.668 0.000 1.066 549 T CA 1.226 62.916 62.100 -0.683 0.000 1.130 549 T CB -0.449 67.770 68.868 -1.081 0.000 0.864 549 T HN 0.588 nan 8.240 nan 0.000 0.481 550 F N 0.002 119.948 119.950 -0.006 0.000 2.668 550 F HA 0.508 5.034 4.527 -0.001 0.000 0.301 550 F C 1.573 177.471 175.800 0.163 0.000 1.106 550 F CA -0.721 57.337 58.000 0.097 0.000 1.289 550 F CB -0.002 39.070 39.000 0.119 0.000 1.006 550 F HN 0.175 nan 8.300 nan 0.000 0.535 551 G N 0.026 108.998 108.800 0.287 0.000 2.132 551 G HA2 0.171 4.131 3.960 -0.001 0.000 0.234 551 G HA3 0.171 4.131 3.960 -0.001 0.000 0.234 551 G C 0.617 175.698 174.900 0.302 0.000 0.989 551 G CA 0.025 45.335 45.100 0.351 0.000 0.676 551 G HN 1.230 nan 8.290 nan 0.000 0.522 552 G N -1.163 107.753 108.800 0.194 0.000 2.483 552 G HA2 0.255 4.214 3.960 -0.001 0.000 0.521 552 G HA3 0.255 4.214 3.960 -0.001 0.000 0.521 552 G C 0.180 175.167 174.900 0.145 0.000 1.278 552 G CA 0.538 45.717 45.100 0.131 0.000 0.965 552 G HN 0.951 nan 8.290 nan 0.000 0.504 553 E N -0.947 119.321 120.200 0.114 0.000 2.153 553 E HA 0.023 4.372 4.350 -0.001 0.000 0.194 553 E C 2.697 179.384 176.600 0.145 0.000 0.988 553 E CA 1.822 58.314 56.400 0.154 0.000 0.811 553 E CB -0.116 29.643 29.700 0.100 0.000 0.746 553 E HN 0.551 nan 8.360 nan 0.000 0.466 554 V N -0.395 119.575 119.914 0.093 0.000 2.307 554 V HA -0.169 3.951 4.120 -0.001 0.000 0.245 554 V C 2.246 178.403 176.094 0.105 0.000 1.045 554 V CA 1.922 64.262 62.300 0.067 0.000 1.024 554 V CB -1.002 30.832 31.823 0.019 0.000 0.651 554 V HN 0.455 nan 8.190 nan 0.000 0.449 555 G N -0.971 107.924 108.800 0.158 0.000 2.418 555 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 555 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 555 G C 1.553 176.583 174.900 0.216 0.000 1.158 555 G CA 0.821 46.044 45.100 0.205 0.000 0.771 555 G HN 0.409 nan 8.290 nan 0.000 0.545 556 F N 1.548 121.517 119.950 0.032 0.000 2.134 556 F HA 0.031 4.557 4.527 -0.001 0.000 0.299 556 F C 2.501 178.227 175.800 -0.124 0.000 1.097 556 F CA 1.486 59.411 58.000 -0.125 0.000 1.264 556 F CB -0.292 38.668 39.000 -0.067 0.000 1.001 556 F HN 0.171 nan 8.300 nan 0.000 0.479 557 K N 0.297 120.700 120.400 0.005 0.000 2.211 557 K HA -0.116 4.203 4.320 -0.001 0.000 0.203 557 K C 2.144 178.714 176.600 -0.049 0.000 1.050 557 K CA 1.322 57.562 56.287 -0.079 0.000 0.945 557 K CB -0.231 32.258 32.500 -0.020 0.000 0.732 557 K HN 0.320 nan 8.250 nan 0.000 0.451 558 I N 0.811 121.380 120.570 -0.001 0.000 2.163 558 I HA -0.327 3.843 4.170 -0.001 0.000 0.243 558 I C 2.130 178.265 176.117 0.029 0.000 1.085 558 I CA 1.339 62.654 61.300 0.024 0.000 1.347 558 I CB -0.283 37.752 38.000 0.057 0.000 1.044 558 I HN 0.182 nan 8.210 nan 0.000 0.408 559 I N 0.860 121.428 120.570 -0.003 0.000 2.127 559 I HA -0.325 3.844 4.170 -0.001 0.000 0.241 559 I C 1.690 177.857 176.117 0.083 0.000 1.075 559 I CA 1.985 63.312 61.300 0.046 0.000 1.334 559 I CB -0.529 37.451 38.000 -0.034 0.000 1.040 559 I HN 0.286 nan 8.210 nan 0.000 0.405 560 N N -0.602 118.070 118.700 -0.046 0.000 2.521 560 N HA -0.076 4.664 4.740 -0.001 0.000 0.188 560 N C 0.927 176.441 175.510 0.008 0.000 1.146 560 N CA 1.132 54.165 53.050 -0.028 0.000 0.893 560 N CB 0.171 38.524 38.487 -0.223 0.000 0.975 560 N HN 0.447 nan 8.380 nan 0.000 0.451 561 T N -3.703 110.859 114.554 0.013 0.000 3.111 561 T HA 0.462 4.811 4.350 -0.001 0.000 0.284 561 T C 0.399 175.118 174.700 0.032 0.000 0.983 561 T CA -0.638 61.472 62.100 0.017 0.000 0.900 561 T CB 0.224 69.090 68.868 -0.003 0.000 1.132 561 T HN 0.042 nan 8.240 nan 0.000 0.531 562 A N 1.939 124.797 122.820 0.063 0.000 2.407 562 A HA 0.700 5.019 4.320 -0.001 0.000 0.248 562 A C 0.575 178.196 177.584 0.062 0.000 1.082 562 A CA -0.158 51.922 52.037 0.072 0.000 0.785 562 A CB 0.162 19.239 19.000 0.129 0.000 1.020 562 A HN 1.035 nan 8.150 nan 0.000 0.489 563 S N 1.046 116.763 115.700 0.029 0.000 2.596 563 S HA 0.447 4.916 4.470 -0.001 0.000 0.270 563 S C 0.441 175.017 174.600 -0.041 0.000 1.155 563 S CA -0.187 58.014 58.200 0.003 0.000 0.827 563 S CB 0.589 63.777 63.200 -0.021 0.000 1.130 563 S HN 1.015 nan 8.310 nan 0.000 0.467 564 I N 1.290 121.800 120.570 -0.100 0.000 2.264 564 I HA -0.123 4.046 4.170 -0.001 0.000 0.248 564 I C 2.477 178.486 176.117 -0.180 0.000 1.111 564 I CA 2.100 63.282 61.300 -0.197 0.000 1.382 564 I CB -0.558 37.101 38.000 -0.569 0.000 1.060 564 I HN 0.930 nan 8.210 nan 0.000 0.418 565 Q N 0.354 120.056 119.800 -0.164 0.000 2.079 565 Q HA -0.172 4.168 4.340 -0.001 0.000 0.200 565 Q C 2.421 178.337 176.000 -0.140 0.000 0.974 565 Q CA 2.463 58.178 55.803 -0.147 0.000 0.840 565 Q CB -0.501 28.164 28.738 -0.122 0.000 0.898 565 Q HN 0.679 nan 8.270 nan 0.000 0.430 566 S N -0.186 115.447 115.700 -0.111 0.000 2.368 566 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 566 S C 1.909 176.436 174.600 -0.123 0.000 1.030 566 S CA 1.110 59.248 58.200 -0.103 0.000 0.999 566 S CB -0.776 62.385 63.200 -0.064 0.000 0.844 566 S HN 0.422 nan 8.310 nan 0.000 0.459 567 L N 0.909 122.048 121.223 -0.139 0.000 2.013 567 L HA -0.041 4.299 4.340 -0.001 0.000 0.212 567 L C 2.171 178.911 176.870 -0.217 0.000 1.073 567 L CA 1.708 56.416 54.840 -0.220 0.000 0.753 567 L CB -0.696 41.180 42.059 -0.305 0.000 0.890 567 L HN 0.292 nan 8.230 nan 0.000 0.432 568 I N -1.496 118.967 120.570 -0.179 0.000 2.286 568 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 568 I C 2.689 178.709 176.117 -0.162 0.000 1.104 568 I CA 1.292 62.491 61.300 -0.167 0.000 1.397 568 I CB -0.880 37.037 38.000 -0.137 0.000 1.072 568 I HN 0.471 nan 8.210 nan 0.000 0.417 569 c N 1.022 119.523 118.600 -0.164 0.000 2.429 569 c HA -0.153 4.416 4.570 -0.001 0.000 0.277 569 c C 2.708 176.715 174.090 -0.139 0.000 1.262 569 c CA 1.137 57.366 56.329 -0.166 0.000 1.733 569 c CB -1.272 41.130 42.510 -0.180 0.000 2.010 569 c HN 0.514 nan 8.230 nan 0.000 0.483 570 N N 1.106 119.728 118.700 -0.129 0.000 2.396 570 N HA -0.019 4.720 4.740 -0.001 0.000 0.180 570 N C 1.017 176.457 175.510 -0.116 0.000 1.028 570 N CA 1.008 53.993 53.050 -0.109 0.000 0.893 570 N CB -0.404 38.026 38.487 -0.094 0.000 0.967 570 N HN 0.660 nan 8.380 nan 0.000 0.440 571 N N -0.486 118.130 118.700 -0.140 0.000 2.159 571 N HA 0.106 4.846 4.740 -0.001 0.000 0.217 571 N C -0.715 174.697 175.510 -0.163 0.000 1.223 571 N CA 0.120 53.079 53.050 -0.152 0.000 0.896 571 N CB 2.019 40.402 38.487 -0.174 0.000 1.064 571 N HN -0.112 nan 8.380 nan 0.000 0.518 572 V N 1.656 121.480 119.914 -0.150 0.000 2.487 572 V HA 0.209 4.329 4.120 -0.001 0.000 0.298 572 V C 0.355 176.380 176.094 -0.115 0.000 1.028 572 V CA -1.185 61.029 62.300 -0.142 0.000 0.860 572 V CB 2.634 34.375 31.823 -0.138 0.000 0.991 572 V HN -0.027 nan 8.190 nan 0.000 0.427 573 K N 2.842 123.180 120.400 -0.105 0.000 2.504 573 K HA 0.222 4.542 4.320 -0.001 0.000 0.278 573 K C 1.269 177.831 176.600 -0.063 0.000 1.025 573 K CA 1.443 57.683 56.287 -0.078 0.000 1.093 573 K CB 0.021 32.482 32.500 -0.065 0.000 0.873 573 K HN 1.191 nan 8.250 nan 0.000 0.483 574 G N 2.851 111.616 108.800 -0.059 0.000 2.217 574 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.246 574 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.246 574 G C 0.374 175.230 174.900 -0.074 0.000 0.990 574 G CA -0.098 44.973 45.100 -0.048 0.000 0.627 574 G HN 1.226 nan 8.290 nan 0.000 0.522 575 c N 1.304 119.841 118.600 -0.106 0.000 3.268 575 c HA -0.067 4.503 4.570 -0.001 0.000 0.277 575 c C -0.445 173.530 174.090 -0.192 0.000 1.259 575 c CA -0.061 56.170 56.329 -0.163 0.000 2.353 575 c CB -1.779 40.615 42.510 -0.193 0.000 1.482 575 c HN 0.799 nan 8.230 nan 0.000 0.513 576 P HA 0.283 nan 4.420 nan 0.000 0.272 576 P C 0.071 177.319 177.300 -0.087 0.000 1.223 576 P CA 0.158 63.237 63.100 -0.034 0.000 0.784 576 P CB 0.377 32.080 31.700 0.005 0.000 0.923 577 F N 0.515 120.443 119.950 -0.036 0.000 2.471 577 F HA 0.335 4.861 4.527 -0.001 0.000 0.353 577 F C 1.647 177.419 175.800 -0.046 0.000 1.113 577 F CA 1.172 59.148 58.000 -0.041 0.000 1.262 577 F CB 0.740 39.720 39.000 -0.033 0.000 1.146 577 F HN 0.239 nan 8.300 nan 0.000 0.578 578 T N 1.126 115.732 114.554 0.087 0.000 2.792 578 T HA 0.687 5.037 4.350 -0.001 0.000 0.303 578 T C -1.129 173.532 174.700 -0.065 0.000 1.310 578 T CA -0.326 61.779 62.100 0.007 0.000 1.007 578 T CB 1.219 70.061 68.868 -0.043 0.000 1.335 578 T HN 0.870 nan 8.240 nan 0.000 0.504 579 S N 0.499 116.121 115.700 -0.130 0.000 2.669 579 S HA 0.499 4.968 4.470 -0.001 0.000 0.266 579 S C -0.818 173.623 174.600 -0.266 0.000 1.149 579 S CA -0.656 57.389 58.200 -0.258 0.000 0.842 579 S CB 0.142 63.273 63.200 -0.114 0.000 1.160 579 S HN 0.413 nan 8.310 nan 0.000 0.487 580 F N 2.537 122.419 119.950 -0.112 0.000 2.765 580 F HA 0.349 4.875 4.527 -0.001 0.000 0.302 580 F C 1.135 176.627 175.800 -0.512 0.000 1.111 580 F CA -0.401 57.454 58.000 -0.242 0.000 1.359 580 F CB -0.190 38.630 39.000 -0.299 0.000 1.097 580 F HN 0.691 nan 8.300 nan 0.000 0.577 581 N N -0.648 117.951 118.700 -0.168 0.000 2.335 581 N HA 0.620 5.359 4.740 -0.001 0.000 0.304 581 N C -0.374 175.134 175.510 -0.003 0.000 1.135 581 N CA -0.408 52.591 53.050 -0.086 0.000 0.817 581 N CB 2.805 41.309 38.487 0.027 0.000 1.294 581 N HN -0.104 nan 8.380 nan 0.000 0.497 582 V N 0.000 119.924 119.914 0.016 0.000 2.409 582 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 582 V CA 0.000 62.312 62.300 0.021 0.000 1.235 582 V CB 0.000 31.831 31.823 0.013 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556