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 3hs6_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 0.000 175.407 175.328 0.132 0.000 0.993 33 H CA 0.000 56.114 56.048 0.110 0.000 1.023 33 H CB 0.000 29.819 29.762 0.095 0.000 1.292 34 H N 2.034 121.282 119.070 0.297 0.000 3.167 34 H HA 0.002 4.558 4.556 -0.000 0.000 0.306 34 H C -1.620 173.875 175.328 0.279 0.000 0.965 34 H CA -0.570 55.603 56.048 0.208 0.000 1.408 34 H CB 0.866 30.704 29.762 0.127 0.000 1.406 34 H HN 0.522 nan 8.280 nan 0.000 0.576 35 P HA -0.080 nan 4.420 nan 0.000 0.225 35 P C 0.955 178.409 177.300 0.256 0.000 1.148 35 P CA 0.942 64.182 63.100 0.234 0.000 0.779 35 P CB 0.211 32.002 31.700 0.152 0.000 0.780 36 C N -2.659 116.875 119.300 0.389 0.000 2.697 36 C HA 0.105 4.565 4.460 -0.000 0.000 0.267 36 C C 2.520 177.492 174.990 -0.028 0.000 1.278 36 C CA -0.297 58.776 59.018 0.091 0.000 1.708 36 C CB -1.972 25.831 27.740 0.106 0.000 1.860 36 C HN 0.336 nan 8.230 nan 0.000 0.589 37 c N 1.776 120.404 118.600 0.048 0.000 2.403 37 c HA -0.140 4.430 4.570 -0.000 0.000 0.279 37 c C 2.934 176.966 174.090 -0.097 0.000 1.269 37 c CA 2.198 58.490 56.329 -0.061 0.000 1.774 37 c CB -1.355 41.078 42.510 -0.129 0.000 1.993 37 c HN 0.817 nan 8.230 nan 0.000 0.496 38 S N 0.307 115.956 115.700 -0.085 0.000 2.607 38 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 38 S C 0.416 174.940 174.600 -0.127 0.000 0.969 38 S CA 0.481 58.626 58.200 -0.092 0.000 0.927 38 S CB -0.675 62.489 63.200 -0.060 0.000 0.772 38 S HN 0.661 nan 8.310 nan 0.000 0.533 39 N N 1.820 120.423 118.700 -0.161 0.000 2.688 39 N HA -0.091 4.649 4.740 -0.000 0.000 0.258 39 N C -1.868 173.525 175.510 -0.195 0.000 1.016 39 N CA 1.033 53.975 53.050 -0.180 0.000 0.747 39 N CB -1.187 37.206 38.487 -0.157 0.000 0.895 39 N HN 0.464 nan 8.380 nan 0.000 0.543 40 P HA -0.025 nan 4.420 nan 0.000 0.219 40 P C 0.255 177.458 177.300 -0.162 0.000 1.150 40 P CA 0.686 63.629 63.100 -0.262 0.000 0.814 40 P CB 0.162 31.515 31.700 -0.579 0.000 0.787 41 c N 2.694 121.198 118.600 -0.160 0.000 2.576 41 c HA 0.321 4.891 4.570 -0.000 0.000 0.401 41 c C 0.749 174.769 174.090 -0.116 0.000 1.314 41 c CA -0.566 55.713 56.329 -0.084 0.000 1.855 41 c CB -0.651 41.834 42.510 -0.041 0.000 2.537 41 c HN 0.275 nan 8.230 nan 0.000 0.578 42 Q N 1.804 121.522 119.800 -0.137 0.000 2.240 42 Q HA 0.351 4.691 4.340 -0.000 0.000 0.260 42 Q C 0.280 176.115 176.000 -0.276 0.000 1.018 42 Q CA -0.495 55.183 55.803 -0.208 0.000 0.898 42 Q CB 0.607 29.200 28.738 -0.242 0.000 1.301 42 Q HN 0.772 nan 8.270 nan 0.000 0.469 43 N N 1.006 119.513 118.700 -0.323 0.000 2.725 43 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 43 N C -0.694 174.724 175.510 -0.153 0.000 1.103 43 N CA 1.110 53.951 53.050 -0.348 0.000 0.707 43 N CB -0.571 37.389 38.487 -0.877 0.000 1.043 43 N HN 0.735 nan 8.380 nan 0.000 0.553 44 R N -3.679 116.751 120.500 -0.118 0.000 3.908 44 R HA -0.124 4.216 4.340 -0.000 0.000 0.381 44 R C 0.823 177.109 176.300 -0.024 0.000 1.135 44 R CA 1.022 57.085 56.100 -0.062 0.000 0.990 44 R CB -2.102 28.179 30.300 -0.032 0.000 1.557 44 R HN 0.403 nan 8.270 nan 0.000 0.535 45 G N 1.198 109.976 108.800 -0.037 0.000 2.491 45 G HA2 0.255 4.214 3.960 -0.000 0.000 0.242 45 G HA3 0.255 4.214 3.960 -0.000 0.000 0.242 45 G C 0.158 175.065 174.900 0.010 0.000 1.266 45 G CA -0.320 44.782 45.100 0.004 0.000 0.844 45 G HN 0.054 nan 8.290 nan 0.000 0.571 46 E N 0.018 120.246 120.200 0.047 0.000 2.197 46 E HA 0.202 4.551 4.350 -0.000 0.000 0.281 46 E C -0.470 176.169 176.600 0.065 0.000 0.995 46 E CA -0.436 56.002 56.400 0.064 0.000 0.808 46 E CB 1.829 31.594 29.700 0.108 0.000 1.093 46 E HN 0.325 nan 8.360 nan 0.000 0.394 47 C N 4.534 123.856 119.300 0.038 0.000 2.369 47 C HA 0.639 5.099 4.460 -0.000 0.000 0.358 47 C C 0.024 175.081 174.990 0.111 0.000 1.274 47 C CA -0.396 58.657 59.018 0.059 0.000 1.935 47 C CB -0.554 27.168 27.740 -0.030 0.000 2.431 47 C HN 0.759 nan 8.230 nan 0.000 0.545 48 M N 5.456 125.149 119.600 0.155 0.000 2.386 48 M HA 0.429 4.909 4.480 -0.000 0.000 0.293 48 M C -0.098 176.290 176.300 0.147 0.000 1.120 48 M CA -0.086 55.302 55.300 0.147 0.000 0.909 48 M CB 2.073 34.734 32.600 0.103 0.000 1.661 48 M HN 0.762 nan 8.290 nan 0.000 0.452 49 S N 2.551 118.305 115.700 0.090 0.000 2.580 49 S HA 0.572 5.042 4.470 -0.000 0.000 0.274 49 S C -0.166 174.411 174.600 -0.039 0.000 1.329 49 S CA -0.007 58.189 58.200 -0.007 0.000 1.036 49 S CB 0.670 63.739 63.200 -0.218 0.000 0.919 49 S HN 0.750 nan 8.310 nan 0.000 0.515 50 T N -0.724 113.804 114.554 -0.044 0.000 3.077 50 T HA 0.683 5.033 4.350 -0.000 0.000 0.359 50 T C 0.419 175.068 174.700 -0.085 0.000 1.108 50 T CA -0.172 61.889 62.100 -0.065 0.000 1.170 50 T CB 0.000 68.844 68.868 -0.041 0.000 1.045 50 T HN 2.024 nan 8.240 nan 0.000 0.505 51 G N 1.763 110.472 108.800 -0.152 0.000 2.710 51 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.668 51 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.668 51 G C -0.140 174.629 174.900 -0.219 0.000 1.320 51 G CA -0.414 44.588 45.100 -0.163 0.000 0.860 51 G HN 0.421 nan 8.290 nan 0.000 0.538 52 F N 0.339 120.257 119.950 -0.054 0.000 2.259 52 F HA 0.099 4.626 4.527 -0.000 0.000 0.298 52 F C 2.642 178.399 175.800 -0.073 0.000 1.088 52 F CA 2.008 59.967 58.000 -0.067 0.000 1.358 52 F CB 0.073 39.039 39.000 -0.057 0.000 1.040 52 F HN 0.547 nan 8.300 nan 0.000 0.505 53 D N -3.721 116.748 120.400 0.115 0.000 2.469 53 D HA 0.196 4.836 4.640 -0.000 0.000 0.215 53 D C 0.275 176.607 176.300 0.053 0.000 1.154 53 D CA 0.095 54.128 54.000 0.055 0.000 0.832 53 D CB 0.168 40.992 40.800 0.040 0.000 1.008 53 D HN 0.122 nan 8.370 nan 0.000 0.506 54 Q N -0.372 119.451 119.800 0.039 0.000 2.413 54 Q HA 0.607 4.947 4.340 -0.000 0.000 0.276 54 Q C -1.785 174.256 176.000 0.068 0.000 1.099 54 Q CA -1.070 54.742 55.803 0.015 0.000 0.814 54 Q CB 2.241 30.951 28.738 -0.046 0.000 1.379 54 Q HN 0.689 nan 8.270 nan 0.000 0.436 55 Y N -0.916 119.388 120.300 0.007 0.000 2.605 55 Y HA 0.854 5.403 4.550 -0.000 0.000 0.343 55 Y C -0.757 175.153 175.900 0.017 0.000 1.036 55 Y CA -1.164 56.946 58.100 0.016 0.000 1.065 55 Y CB 1.896 40.382 38.460 0.044 0.000 1.288 55 Y HN 0.628 nan 8.280 nan 0.000 0.481 56 K N 1.952 122.466 120.400 0.190 0.000 2.482 56 K HA 0.633 4.953 4.320 -0.000 0.000 0.251 56 K C -1.879 174.855 176.600 0.223 0.000 0.936 56 K CA -0.611 55.738 56.287 0.103 0.000 0.791 56 K CB 1.733 34.251 32.500 0.030 0.000 1.213 56 K HN 0.973 nan 8.250 nan 0.000 0.428 57 c N 2.108 120.834 118.600 0.209 0.000 2.388 57 c HA 0.291 4.861 4.570 -0.000 0.000 0.362 57 c C -0.101 174.056 174.090 0.112 0.000 1.266 57 c CA -0.663 55.770 56.329 0.172 0.000 2.028 57 c CB 0.472 43.089 42.510 0.177 0.000 2.440 57 c HN 0.669 nan 8.230 nan 0.000 0.547 58 D N 1.594 122.051 120.400 0.095 0.000 2.359 58 D HA 0.255 4.895 4.640 -0.000 0.000 0.230 58 D C 0.175 176.524 176.300 0.081 0.000 1.118 58 D CA -0.272 53.777 54.000 0.081 0.000 0.844 58 D CB 0.897 41.742 40.800 0.075 0.000 1.059 58 D HN 0.655 nan 8.370 nan 0.000 0.493 59 c N 2.611 121.267 118.600 0.094 0.000 2.754 59 c HA 0.144 4.714 4.570 -0.000 0.000 0.276 59 c C 0.832 174.987 174.090 0.108 0.000 1.264 59 c CA -0.352 56.045 56.329 0.113 0.000 1.700 59 c CB -1.370 41.236 42.510 0.159 0.000 1.885 59 c HN 0.541 nan 8.230 nan 0.000 0.607 60 T N 2.021 116.623 114.554 0.080 0.000 2.800 60 T HA -0.003 4.347 4.350 -0.000 0.000 0.283 60 T C 0.967 175.704 174.700 0.063 0.000 0.999 60 T CA 0.690 62.828 62.100 0.063 0.000 1.176 60 T CB -0.075 68.820 68.868 0.045 0.000 0.973 60 T HN 0.624 nan 8.240 nan 0.000 0.519 61 R N -0.003 120.532 120.500 0.059 0.000 4.000 61 R HA -0.235 4.105 4.340 -0.000 0.000 0.348 61 R C 1.749 178.091 176.300 0.070 0.000 1.204 61 R CA 1.272 57.401 56.100 0.049 0.000 0.987 61 R CB -2.434 27.884 30.300 0.030 0.000 1.446 61 R HN 0.933 nan 8.270 nan 0.000 0.555 62 T N -3.906 110.717 114.554 0.115 0.000 3.055 62 T HA 0.157 4.507 4.350 -0.000 0.000 0.265 62 T C 1.508 176.357 174.700 0.248 0.000 1.111 62 T CA 0.977 63.185 62.100 0.180 0.000 1.118 62 T CB 0.528 69.524 68.868 0.213 0.000 0.909 62 T HN 0.705 nan 8.240 nan 0.000 0.501 63 G N 0.557 109.437 108.800 0.134 0.000 2.143 63 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.249 63 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.249 63 G C -0.111 174.676 174.900 -0.188 0.000 0.981 63 G CA 0.092 45.177 45.100 -0.025 0.000 0.665 63 G HN 0.580 nan 8.290 nan 0.000 0.528 64 F N -0.709 119.278 119.950 0.061 0.000 2.603 64 F HA 0.781 5.308 4.527 -0.001 0.000 0.317 64 F C 0.306 176.191 175.800 0.142 0.000 1.066 64 F CA -0.924 57.101 58.000 0.042 0.000 0.941 64 F CB 1.628 40.616 39.000 -0.020 0.000 1.291 64 F HN 0.257 nan 8.300 nan 0.000 0.472 65 Y N -0.715 119.713 120.300 0.214 0.000 2.889 65 Y HA 0.935 5.486 4.550 0.000 0.000 0.317 65 Y C -0.089 175.889 175.900 0.131 0.000 1.414 65 Y CA -1.575 56.605 58.100 0.134 0.000 1.091 65 Y CB 1.140 39.645 38.460 0.075 0.000 1.358 65 Y HN 1.031 nan 8.280 nan 0.000 0.487 66 G N 0.263 109.224 108.800 0.268 0.000 2.612 66 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 66 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 66 G C 0.135 175.102 174.900 0.112 0.000 1.274 66 G CA -0.105 45.072 45.100 0.130 0.000 0.849 66 G HN 1.113 nan 8.290 nan 0.000 0.595 67 E N -0.310 119.941 120.200 0.085 0.000 2.130 67 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 67 E C 1.457 178.129 176.600 0.120 0.000 0.998 67 E CA 1.609 58.056 56.400 0.078 0.000 0.806 67 E CB -0.046 29.682 29.700 0.046 0.000 0.738 67 E HN 0.395 nan 8.360 nan 0.000 0.459 68 N N -0.823 117.934 118.700 0.096 0.000 2.234 68 N HA 0.081 4.821 4.740 -0.000 0.000 0.227 68 N C -0.619 174.897 175.510 0.010 0.000 1.151 68 N CA 0.354 53.453 53.050 0.082 0.000 0.865 68 N CB 0.469 38.993 38.487 0.061 0.000 1.066 68 N HN 0.122 nan 8.380 nan 0.000 0.515 69 c N 0.801 119.422 118.600 0.035 0.000 4.056 69 c HA -0.125 4.445 4.570 -0.000 0.000 0.302 69 c C 1.861 175.892 174.090 -0.097 0.000 1.356 69 c CA 1.046 57.393 56.329 0.029 0.000 2.074 69 c CB -3.098 39.420 42.510 0.013 0.000 1.328 69 c HN 0.606 nan 8.230 nan 0.000 0.684 70 T N -3.813 110.724 114.554 -0.028 0.000 2.978 70 T HA 0.203 4.553 4.350 -0.000 0.000 0.248 70 T C 0.586 175.385 174.700 0.165 0.000 1.018 70 T CA 0.958 63.036 62.100 -0.036 0.000 1.026 70 T CB 0.141 68.977 68.868 -0.052 0.000 1.032 70 T HN 0.953 nan 8.240 nan 0.000 0.485 71 T N 2.774 117.335 114.554 0.012 0.000 2.729 71 T HA 0.526 4.876 4.350 -0.000 0.000 0.296 71 T C -2.885 171.643 174.700 -0.287 0.000 0.928 71 T CA -1.910 60.080 62.100 -0.183 0.000 1.045 71 T CB 1.023 69.626 68.868 -0.443 0.000 0.902 71 T HN 0.075 nan 8.240 nan 0.000 0.500 72 P HA 0.326 nan 4.420 nan 0.000 0.282 72 P C -0.109 177.055 177.300 -0.226 0.000 1.249 72 P CA -0.507 62.265 63.100 -0.546 0.000 0.806 72 P CB 0.994 32.375 31.700 -0.531 0.000 0.984 73 E N 0.567 120.670 120.200 -0.160 0.000 2.392 73 E HA 0.051 4.401 4.350 -0.000 0.000 0.256 73 E C 0.687 177.304 176.600 0.027 0.000 1.145 73 E CA -0.348 56.092 56.400 0.067 0.000 0.929 73 E CB 0.151 29.890 29.700 0.065 0.000 0.998 73 E HN 0.354 nan 8.360 nan 0.000 0.442 74 F N 1.744 121.674 119.950 -0.033 0.000 2.095 74 F HA -0.221 4.306 4.527 0.000 0.000 0.298 74 F C 2.220 177.983 175.800 -0.062 0.000 1.104 74 F CA 1.977 59.953 58.000 -0.041 0.000 1.232 74 F CB -0.683 38.304 39.000 -0.022 0.000 0.987 74 F HN 0.462 nan 8.300 nan 0.000 0.475 75 L N -1.019 120.180 121.223 -0.041 0.000 2.079 75 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 75 L C 2.344 179.094 176.870 -0.199 0.000 1.081 75 L CA 2.708 57.471 54.840 -0.128 0.000 0.752 75 L CB -2.107 39.927 42.059 -0.040 0.000 0.896 75 L HN 0.361 nan 8.230 nan 0.000 0.433 76 T N -1.473 112.956 114.554 -0.209 0.000 2.708 76 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 76 T C 2.161 176.706 174.700 -0.258 0.000 1.037 76 T CA 1.579 63.521 62.100 -0.263 0.000 1.146 76 T CB -0.321 68.280 68.868 -0.444 0.000 0.865 76 T HN 0.660 nan 8.240 nan 0.000 0.435 77 R N 0.517 120.844 120.500 -0.289 0.000 2.091 77 R HA -0.021 4.319 4.340 -0.000 0.000 0.238 77 R C 2.365 178.497 176.300 -0.279 0.000 1.136 77 R CA 1.297 57.238 56.100 -0.265 0.000 0.959 77 R CB -0.392 29.742 30.300 -0.276 0.000 0.856 77 R HN 0.408 nan 8.270 nan 0.000 0.437 78 I N 0.132 120.478 120.570 -0.375 0.000 2.315 78 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 78 I C 2.578 178.589 176.117 -0.177 0.000 1.117 78 I CA 1.012 62.134 61.300 -0.297 0.000 1.404 78 I CB -0.185 37.612 38.000 -0.338 0.000 1.071 78 I HN 0.039 nan 8.210 nan 0.000 0.419 79 K N 0.941 121.243 120.400 -0.163 0.000 2.097 79 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 79 K C 1.924 178.477 176.600 -0.079 0.000 1.050 79 K CA 0.948 57.168 56.287 -0.111 0.000 0.938 79 K CB -0.491 31.940 32.500 -0.116 0.000 0.718 79 K HN 0.366 nan 8.250 nan 0.000 0.442 80 L N 0.014 121.187 121.223 -0.084 0.000 2.072 80 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 80 L C 2.988 179.834 176.870 -0.039 0.000 1.079 80 L CA 1.446 56.261 54.840 -0.042 0.000 0.752 80 L CB -0.797 41.247 42.059 -0.025 0.000 0.906 80 L HN 0.344 nan 8.230 nan 0.000 0.436 81 L N -1.155 120.029 121.223 -0.065 0.000 2.083 81 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 81 L C 2.461 179.306 176.870 -0.043 0.000 1.083 81 L CA 2.096 56.903 54.840 -0.055 0.000 0.752 81 L CB -1.525 40.488 42.059 -0.077 0.000 0.899 81 L HN 0.230 nan 8.230 nan 0.000 0.433 82 L N -0.690 120.505 121.223 -0.047 0.000 2.529 82 L HA 0.365 4.705 4.340 -0.000 0.000 0.223 82 L C 1.780 178.642 176.870 -0.014 0.000 1.113 82 L CA 0.671 55.490 54.840 -0.035 0.000 0.861 82 L CB -1.581 40.452 42.059 -0.044 0.000 1.012 82 L HN 0.816 nan 8.230 nan 0.000 0.461 83 K N 1.783 122.180 120.400 -0.004 0.000 2.312 83 K HA 0.508 4.828 4.320 -0.000 0.000 0.287 83 K C -2.078 174.543 176.600 0.035 0.000 1.062 83 K CA -1.425 54.877 56.287 0.025 0.000 0.934 83 K CB -0.793 31.726 32.500 0.031 0.000 1.027 83 K HN 0.363 nan 8.250 nan 0.000 0.478 84 P HA 0.170 nan 4.420 nan 0.000 0.274 84 P C 0.166 177.509 177.300 0.072 0.000 1.231 84 P CA -0.189 62.944 63.100 0.056 0.000 0.790 84 P CB 0.717 32.458 31.700 0.068 0.000 0.951 85 T N -1.029 113.562 114.554 0.061 0.000 2.860 85 T HA 0.169 4.519 4.350 -0.000 0.000 0.299 85 T C -1.733 173.022 174.700 0.092 0.000 1.045 85 T CA -1.263 60.875 62.100 0.063 0.000 1.071 85 T CB -0.185 68.709 68.868 0.043 0.000 0.985 85 T HN 0.173 nan 8.240 nan 0.000 0.537 86 P HA -0.071 nan 4.420 nan 0.000 0.216 86 P C 1.302 178.691 177.300 0.148 0.000 1.150 86 P CA 0.859 64.026 63.100 0.111 0.000 0.837 86 P CB -0.035 31.710 31.700 0.076 0.000 0.786 87 N N -1.416 117.357 118.700 0.122 0.000 2.188 87 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 87 N C 1.652 177.290 175.510 0.214 0.000 1.018 87 N CA 1.390 54.537 53.050 0.162 0.000 0.858 87 N CB -1.229 37.321 38.487 0.104 0.000 0.989 87 N HN 0.146 nan 8.380 nan 0.000 0.426 88 T N 0.809 115.452 114.554 0.149 0.000 2.737 88 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 88 T C 2.155 176.983 174.700 0.214 0.000 1.038 88 T CA 0.889 63.073 62.100 0.140 0.000 1.144 88 T CB -0.341 68.572 68.868 0.075 0.000 0.866 88 T HN -0.043 nan 8.240 nan 0.000 0.434 89 V N 1.094 121.124 119.914 0.194 0.000 2.332 89 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 89 V C 2.277 178.483 176.094 0.187 0.000 1.055 89 V CA 2.214 64.628 62.300 0.191 0.000 1.038 89 V CB -0.722 31.216 31.823 0.191 0.000 0.651 89 V HN 0.591 nan 8.190 nan 0.000 0.450 90 H N -1.012 118.146 119.070 0.147 0.000 2.353 90 H HA -0.253 4.302 4.556 -0.001 0.000 0.300 90 H C 2.135 177.583 175.328 0.199 0.000 1.090 90 H CA 2.360 58.499 56.048 0.152 0.000 1.327 90 H CB -0.388 29.482 29.762 0.179 0.000 1.383 90 H HN 0.513 nan 8.280 nan 0.000 0.508 91 Y N 0.423 120.804 120.300 0.134 0.000 2.097 91 Y HA -0.250 4.302 4.550 0.002 0.000 0.282 91 Y C 2.344 178.367 175.900 0.205 0.000 1.152 91 Y CA 2.140 60.316 58.100 0.127 0.000 1.136 91 Y CB -0.406 38.078 38.460 0.040 0.000 0.975 91 Y HN 0.245 nan 8.280 nan 0.000 0.498 92 I N -0.058 120.792 120.570 0.467 0.000 2.151 92 I HA -0.377 3.793 4.170 -0.000 0.000 0.243 92 I C 2.275 178.735 176.117 0.572 0.000 1.080 92 I CA 1.648 63.301 61.300 0.590 0.000 1.339 92 I CB -0.479 37.796 38.000 0.460 0.000 1.039 92 I HN 0.272 nan 8.210 nan 0.000 0.409 93 L N 0.035 121.354 121.223 0.160 0.000 2.275 93 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 93 L C 2.069 178.737 176.870 -0.337 0.000 1.119 93 L CA 1.507 56.167 54.840 -0.299 0.000 0.790 93 L CB -0.590 40.926 42.059 -0.905 0.000 0.919 93 L HN 0.442 nan 8.230 nan 0.000 0.443 94 T N -5.253 109.159 114.554 -0.236 0.000 3.134 94 T HA 0.217 4.567 4.350 -0.000 0.000 0.260 94 T C 0.265 174.701 174.700 -0.440 0.000 1.027 94 T CA -0.338 61.492 62.100 -0.449 0.000 0.913 94 T CB -0.075 68.457 68.868 -0.560 0.000 1.046 94 T HN 0.184 nan 8.240 nan 0.000 0.553 95 H N -0.670 118.368 119.070 -0.052 0.000 3.043 95 H HA 0.590 5.147 4.556 0.002 0.000 0.302 95 H C -0.497 174.921 175.328 0.149 0.000 1.506 95 H CA -1.752 54.168 56.048 -0.215 0.000 1.282 95 H CB 0.428 29.611 29.762 -0.966 0.000 1.914 95 H HN 0.051 nan 8.280 nan 0.000 0.625 96 F N -1.535 118.582 119.950 0.278 0.000 3.004 96 F HA -0.261 4.264 4.527 -0.003 0.000 0.264 96 F C 1.676 177.545 175.800 0.116 0.000 0.979 96 F CA 0.659 58.735 58.000 0.127 0.000 0.896 96 F CB -1.942 37.066 39.000 0.014 0.000 0.813 96 F HN 0.681 nan 8.300 nan 0.000 0.804 97 K N 0.510 120.962 120.400 0.088 0.000 2.281 97 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 97 K C 2.101 178.692 176.600 -0.015 0.000 1.046 97 K CA 1.607 57.777 56.287 -0.195 0.000 0.938 97 K CB -1.097 30.995 32.500 -0.680 0.000 0.737 97 K HN 0.687 nan 8.250 nan 0.000 0.458 98 G N 0.174 108.988 108.800 0.023 0.000 2.403 98 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 98 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 98 G C 1.786 176.700 174.900 0.024 0.000 1.154 98 G CA 0.950 46.064 45.100 0.024 0.000 0.784 98 G HN 0.352 nan 8.290 nan 0.000 0.538 99 V N -0.285 119.624 119.914 -0.008 0.000 2.307 99 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 99 V C 2.420 178.446 176.094 -0.114 0.000 1.045 99 V CA 1.587 63.802 62.300 -0.142 0.000 1.024 99 V CB -0.748 30.875 31.823 -0.334 0.000 0.651 99 V HN 0.578 nan 8.190 nan 0.000 0.449 100 W N 0.299 121.665 121.300 0.110 0.000 2.363 100 W HA -0.169 4.491 4.660 -0.001 0.000 0.296 100 W C 2.525 179.116 176.519 0.119 0.000 1.212 100 W CA 1.283 58.720 57.345 0.153 0.000 1.260 100 W CB -0.556 29.040 29.460 0.226 0.000 1.131 100 W HN 0.270 nan 8.180 nan 0.000 0.530 101 N N 0.869 119.726 118.700 0.261 0.000 2.149 101 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 101 N C 1.315 176.900 175.510 0.125 0.000 1.019 101 N CA 1.736 54.879 53.050 0.155 0.000 0.857 101 N CB -0.376 38.160 38.487 0.082 0.000 0.997 101 N HN 0.120 nan 8.380 nan 0.000 0.426 102 I N -0.900 119.730 120.570 0.099 0.000 2.193 102 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 102 I C 2.010 178.194 176.117 0.111 0.000 1.084 102 I CA 0.667 62.010 61.300 0.072 0.000 1.365 102 I CB -0.369 37.644 38.000 0.021 0.000 1.064 102 I HN -0.033 nan 8.210 nan 0.000 0.410 103 V N 1.060 121.062 119.914 0.146 0.000 2.392 103 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 103 V C 1.337 177.603 176.094 0.286 0.000 1.059 103 V CA 1.575 64.003 62.300 0.215 0.000 1.051 103 V CB -0.945 31.041 31.823 0.271 0.000 0.658 103 V HN 0.459 nan 8.190 nan 0.000 0.455 104 N N 0.642 119.522 118.700 0.300 0.000 2.648 104 N HA 0.040 4.780 4.740 -0.000 0.000 0.210 104 N C 0.251 175.839 175.510 0.130 0.000 1.464 104 N CA 0.177 53.347 53.050 0.201 0.000 0.890 104 N CB -1.120 37.458 38.487 0.150 0.000 1.179 104 N HN 0.505 nan 8.380 nan 0.000 0.476 105 I N 0.569 121.212 120.570 0.122 0.000 2.732 105 I HA -0.283 3.887 4.170 -0.000 0.000 0.129 105 I C -1.049 175.165 176.117 0.161 0.000 0.883 105 I CA -0.533 60.847 61.300 0.134 0.000 2.781 105 I CB -0.151 37.932 38.000 0.138 0.000 0.552 105 I HN 0.038 nan 8.210 nan 0.000 0.352 106 P HA -0.247 nan 4.420 nan 0.000 0.216 106 P C 1.522 178.932 177.300 0.184 0.000 1.154 106 P CA 1.541 64.730 63.100 0.149 0.000 0.865 106 P CB 0.072 31.853 31.700 0.135 0.000 0.789 107 F N -0.417 119.578 119.950 0.074 0.000 2.134 107 F HA -0.146 4.380 4.527 -0.000 0.000 0.299 107 F C 1.913 177.765 175.800 0.086 0.000 1.097 107 F CA 1.337 59.380 58.000 0.071 0.000 1.264 107 F CB -0.858 38.174 39.000 0.053 0.000 1.001 107 F HN -0.250 nan 8.300 nan 0.000 0.479 108 L N 0.333 121.601 121.223 0.075 0.000 2.056 108 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 108 L C 2.655 179.567 176.870 0.071 0.000 1.078 108 L CA 1.683 56.525 54.840 0.004 0.000 0.749 108 L CB -0.913 41.212 42.059 0.109 0.000 0.901 108 L HN 0.047 nan 8.230 nan 0.000 0.433 109 R N -0.852 119.763 120.500 0.192 0.000 2.083 109 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 109 R C 2.362 178.818 176.300 0.260 0.000 1.137 109 R CA 1.893 58.201 56.100 0.348 0.000 0.951 109 R CB -0.234 30.206 30.300 0.235 0.000 0.851 109 R HN 0.272 nan 8.270 nan 0.000 0.434 110 S N 0.732 116.484 115.700 0.087 0.000 2.383 110 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 110 S C 1.699 176.272 174.600 -0.045 0.000 1.030 110 S CA 1.210 59.419 58.200 0.016 0.000 1.002 110 S CB -0.264 62.917 63.200 -0.031 0.000 0.829 110 S HN 0.283 nan 8.310 nan 0.000 0.467 111 L N 1.107 122.227 121.223 -0.171 0.000 2.027 111 L HA 0.023 4.362 4.340 -0.000 0.000 0.206 111 L C 1.856 178.694 176.870 -0.052 0.000 1.074 111 L CA 1.532 56.254 54.840 -0.196 0.000 0.745 111 L CB -0.425 41.417 42.059 -0.362 0.000 0.898 111 L HN 0.187 nan 8.230 nan 0.000 0.433 112 I N -1.355 119.194 120.570 -0.035 0.000 2.252 112 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 112 I C 2.363 178.484 176.117 0.007 0.000 1.102 112 I CA 1.177 62.416 61.300 -0.102 0.000 1.385 112 I CB -0.407 37.339 38.000 -0.422 0.000 1.064 112 I HN 0.324 nan 8.210 nan 0.000 0.414 113 M N 0.697 120.426 119.600 0.215 0.000 2.159 113 M HA -0.223 4.257 4.480 -0.000 0.000 0.263 113 M C 2.174 178.551 176.300 0.129 0.000 1.063 113 M CA 1.777 57.257 55.300 0.300 0.000 1.110 113 M CB -0.511 32.291 32.600 0.337 0.000 1.374 113 M HN 0.071 nan 8.290 nan 0.000 0.411 114 K N -1.311 119.135 120.400 0.076 0.000 2.057 114 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 114 K C 2.098 178.732 176.600 0.056 0.000 1.049 114 K CA 1.871 58.178 56.287 0.033 0.000 0.931 114 K CB -0.646 31.860 32.500 0.009 0.000 0.714 114 K HN 0.479 nan 8.250 nan 0.000 0.440 115 Y N 0.632 120.916 120.300 -0.026 0.000 2.181 115 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 115 Y C 1.699 177.601 175.900 0.004 0.000 1.146 115 Y CA 1.514 59.602 58.100 -0.019 0.000 1.164 115 Y CB -0.368 38.063 38.460 -0.048 0.000 0.982 115 Y HN -0.118 nan 8.280 nan 0.000 0.515 116 V N 0.874 120.704 119.914 -0.140 0.000 2.287 116 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 116 V C 2.495 178.507 176.094 -0.138 0.000 1.053 116 V CA 2.264 64.463 62.300 -0.167 0.000 1.027 116 V CB -0.805 31.068 31.823 0.084 0.000 0.646 116 V HN 0.487 nan 8.190 nan 0.000 0.447 117 L N 0.202 121.386 121.223 -0.065 0.000 2.056 117 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 117 L C 2.734 179.566 176.870 -0.064 0.000 1.078 117 L CA 2.071 56.877 54.840 -0.056 0.000 0.749 117 L CB -1.026 40.989 42.059 -0.073 0.000 0.901 117 L HN 0.561 nan 8.230 nan 0.000 0.433 118 T N -3.686 110.826 114.554 -0.071 0.000 2.942 118 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 118 T C 2.003 176.698 174.700 -0.009 0.000 1.062 118 T CA 0.875 62.967 62.100 -0.013 0.000 1.139 118 T CB -0.468 68.412 68.868 0.020 0.000 0.883 118 T HN 0.393 nan 8.240 nan 0.000 0.468 119 S N 2.016 117.631 115.700 -0.143 0.000 2.465 119 S HA -0.069 4.401 4.470 -0.000 0.000 0.241 119 S C 1.717 176.310 174.600 -0.011 0.000 1.000 119 S CA 0.338 58.470 58.200 -0.114 0.000 0.964 119 S CB -0.505 62.431 63.200 -0.440 0.000 0.763 119 S HN 0.619 nan 8.310 nan 0.000 0.512 120 R N 0.281 120.741 120.500 -0.067 0.000 2.613 120 R HA 0.405 4.745 4.340 -0.000 0.000 0.361 120 R C 0.847 177.067 176.300 -0.133 0.000 1.072 120 R CA 0.157 56.181 56.100 -0.128 0.000 1.089 120 R CB 0.362 30.609 30.300 -0.089 0.000 1.343 120 R HN 0.297 nan 8.270 nan 0.000 0.571 121 S N 0.196 115.874 115.700 -0.035 0.000 2.475 121 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 121 S C 1.267 175.861 174.600 -0.011 0.000 1.042 121 S CA 0.178 58.398 58.200 0.035 0.000 0.935 121 S CB 0.051 63.341 63.200 0.149 0.000 0.801 121 S HN 0.571 nan 8.310 nan 0.000 0.509 122 Y N 0.908 121.186 120.300 -0.037 0.000 2.578 122 Y HA 0.360 4.909 4.550 -0.001 0.000 0.297 122 Y C 1.319 177.156 175.900 -0.105 0.000 1.176 122 Y CA 0.128 58.192 58.100 -0.059 0.000 1.315 122 Y CB -0.680 37.754 38.460 -0.042 0.000 1.031 122 Y HN 0.086 nan 8.280 nan 0.000 0.524 123 L N 0.458 121.294 121.223 -0.644 0.000 2.418 123 L HA 0.092 4.432 4.340 -0.000 0.000 0.218 123 L C 0.103 176.704 176.870 -0.448 0.000 1.125 123 L CA 0.147 54.589 54.840 -0.664 0.000 0.835 123 L CB 0.113 41.772 42.059 -0.666 0.000 0.953 123 L HN 0.174 nan 8.230 nan 0.000 0.454 124 I N -0.153 120.247 120.570 -0.283 0.000 2.378 124 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 124 I C -0.589 175.448 176.117 -0.134 0.000 0.992 124 I CA -0.841 60.345 61.300 -0.190 0.000 1.154 124 I CB 1.319 39.237 38.000 -0.136 0.000 1.315 124 I HN -0.146 nan 8.210 nan 0.000 0.448 125 D N 4.173 124.513 120.400 -0.101 0.000 2.382 125 D HA 0.160 4.800 4.640 -0.000 0.000 0.259 125 D C 0.078 176.318 176.300 -0.099 0.000 1.224 125 D CA 0.696 54.636 54.000 -0.100 0.000 0.894 125 D CB 0.696 41.430 40.800 -0.110 0.000 1.127 125 D HN 0.361 nan 8.370 nan 0.000 0.487 126 S N 2.767 118.398 115.700 -0.115 0.000 2.706 126 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 126 S C -2.664 171.869 174.600 -0.111 0.000 1.163 126 S CA -1.265 56.860 58.200 -0.125 0.000 1.042 126 S CB 0.907 63.993 63.200 -0.189 0.000 1.079 126 S HN 0.129 nan 8.310 nan 0.000 0.474 127 P HA 0.262 nan 4.420 nan 0.000 0.267 127 P C -2.635 174.640 177.300 -0.041 0.000 1.200 127 P CA -0.960 62.136 63.100 -0.007 0.000 0.772 127 P CB -0.438 31.315 31.700 0.088 0.000 0.855 128 P HA 0.037 nan 4.420 nan 0.000 0.272 128 P C 0.322 177.535 177.300 -0.145 0.000 1.240 128 P CA 0.026 63.063 63.100 -0.105 0.000 0.791 128 P CB 0.623 32.240 31.700 -0.138 0.000 0.978 129 T N -1.727 112.678 114.554 -0.248 0.000 3.066 129 T HA 0.204 4.554 4.350 -0.000 0.000 0.176 129 T C 0.473 174.926 174.700 -0.412 0.000 0.826 129 T CA 0.066 61.890 62.100 -0.460 0.000 1.280 129 T CB -0.858 67.491 68.868 -0.865 0.000 2.214 129 T HN 0.220 nan 8.240 nan 0.000 0.399 130 Y N 3.873 124.132 120.300 -0.068 0.000 2.299 130 Y HA 0.572 5.122 4.550 -0.000 0.000 0.335 130 Y C 0.905 176.741 175.900 -0.107 0.000 1.287 130 Y CA -0.767 57.282 58.100 -0.086 0.000 1.424 130 Y CB 0.210 38.634 38.460 -0.060 0.000 1.326 130 Y HN 0.779 nan 8.280 nan 0.000 0.567 131 N N -2.405 116.318 118.700 0.039 0.000 3.278 131 N HA 0.208 4.948 4.740 -0.000 0.000 0.307 131 N C -0.172 175.316 175.510 -0.037 0.000 1.551 131 N CA -0.706 52.308 53.050 -0.060 0.000 0.794 131 N CB 0.453 38.759 38.487 -0.300 0.000 1.770 131 N HN 0.392 nan 8.380 nan 0.000 0.612 132 V N -0.255 119.626 119.914 -0.055 0.000 2.490 132 V HA -0.175 3.944 4.120 -0.000 0.000 0.250 132 V C 1.272 177.377 176.094 0.019 0.000 1.061 132 V CA 1.924 64.211 62.300 -0.020 0.000 1.064 132 V CB -0.941 30.851 31.823 -0.053 0.000 0.670 132 V HN 0.687 nan 8.190 nan 0.000 0.461 133 H N -3.012 116.023 119.070 -0.058 0.000 2.592 133 H HA 0.192 4.748 4.556 -0.000 0.000 0.265 133 H C -0.440 174.502 175.328 -0.642 0.000 0.955 133 H CA 0.005 55.903 56.048 -0.250 0.000 1.175 133 H CB 0.416 30.078 29.762 -0.166 0.000 1.433 133 H HN 0.457 nan 8.280 nan 0.000 0.537 134 Y N -0.252 119.961 120.300 -0.146 0.000 2.363 134 Y HA 0.285 4.835 4.550 -0.000 0.000 0.325 134 Y C 0.919 176.676 175.900 -0.238 0.000 0.984 134 Y CA -0.786 57.095 58.100 -0.365 0.000 1.248 134 Y CB 1.835 40.009 38.460 -0.477 0.000 1.116 134 Y HN 0.055 nan 8.280 nan 0.000 0.470 135 G N 2.207 110.917 108.800 -0.150 0.000 2.985 135 G HA2 0.023 3.983 3.960 -0.000 0.000 0.209 135 G HA3 0.023 3.983 3.960 -0.000 0.000 0.209 135 G C -0.199 174.735 174.900 0.055 0.000 1.165 135 G CA 0.258 45.294 45.100 -0.107 0.000 0.776 135 G HN 0.581 nan 8.290 nan 0.000 0.541 136 Y N -1.559 118.908 120.300 0.278 0.000 2.562 136 Y HA 0.732 5.282 4.550 -0.000 0.000 0.343 136 Y C 0.006 176.107 175.900 0.336 0.000 1.025 136 Y CA -2.229 56.068 58.100 0.328 0.000 1.082 136 Y CB 1.128 39.718 38.460 0.218 0.000 1.264 136 Y HN -0.262 nan 8.280 nan 0.000 0.478 137 K N 1.964 122.573 120.400 0.349 0.000 2.401 137 K HA 0.430 4.750 4.320 -0.000 0.000 0.278 137 K C -0.384 176.312 176.600 0.159 0.000 1.018 137 K CA 0.209 56.552 56.287 0.093 0.000 0.981 137 K CB 0.521 33.028 32.500 0.011 0.000 0.933 137 K HN 0.895 nan 8.250 nan 0.000 0.477 138 S N 1.357 117.044 115.700 -0.021 0.000 2.570 138 S HA 0.179 4.649 4.470 -0.000 0.000 0.270 138 S C 0.118 174.698 174.600 -0.033 0.000 1.149 138 S CA -1.116 57.081 58.200 -0.005 0.000 0.837 138 S CB 0.636 63.726 63.200 -0.184 0.000 1.124 138 S HN 0.884 nan 8.310 nan 0.000 0.465 139 W N 1.446 122.705 121.300 -0.067 0.000 2.374 139 W HA -0.117 4.543 4.660 -0.000 0.000 0.288 139 W C 1.618 178.118 176.519 -0.031 0.000 1.218 139 W CA 2.350 59.697 57.345 0.004 0.000 1.245 139 W CB -0.158 29.315 29.460 0.021 0.000 1.126 139 W HN 1.058 nan 8.180 nan 0.000 0.545 140 E N 0.834 120.987 120.200 -0.077 0.000 2.058 140 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 140 E C 2.202 178.578 176.600 -0.373 0.000 0.997 140 E CA 2.540 58.818 56.400 -0.203 0.000 0.801 140 E CB -0.767 28.763 29.700 -0.283 0.000 0.746 140 E HN 0.083 nan 8.360 nan 0.000 0.450 141 A N -0.187 122.277 122.820 -0.593 0.000 1.930 141 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 141 A C 2.219 179.583 177.584 -0.367 0.000 1.175 141 A CA 1.399 53.129 52.037 -0.511 0.000 0.627 141 A CB -0.958 17.760 19.000 -0.469 0.000 0.815 141 A HN 0.488 nan 8.150 nan 0.000 0.443 142 F N 1.990 121.642 119.950 -0.498 0.000 2.102 142 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 142 F C 2.563 178.035 175.800 -0.547 0.000 1.105 142 F CA 2.205 59.875 58.000 -0.550 0.000 1.239 142 F CB -0.323 38.242 39.000 -0.725 0.000 0.991 142 F HN 0.277 nan 8.300 nan 0.000 0.474 143 S N -0.837 114.380 115.700 -0.806 0.000 2.501 143 S HA 0.008 4.478 4.470 -0.000 0.000 0.220 143 S C 0.869 175.242 174.600 -0.378 0.000 0.997 143 S CA 0.012 57.770 58.200 -0.737 0.000 0.919 143 S CB -0.686 62.242 63.200 -0.453 0.000 0.778 143 S HN 0.398 nan 8.310 nan 0.000 0.523 144 N N 1.926 120.488 118.700 -0.231 0.000 2.521 144 N HA 0.268 5.008 4.740 -0.000 0.000 0.236 144 N C 0.460 175.982 175.510 0.020 0.000 1.067 144 N CA -0.229 52.816 53.050 -0.008 0.000 0.939 144 N CB 0.512 39.123 38.487 0.207 0.000 1.201 144 N HN 0.363 nan 8.380 nan 0.000 0.511 145 L N 1.544 122.752 121.223 -0.024 0.000 2.549 145 L HA -0.037 4.303 4.340 -0.000 0.000 0.229 145 L C 1.810 178.772 176.870 0.155 0.000 1.158 145 L CA 0.371 55.237 54.840 0.043 0.000 0.842 145 L CB -0.111 41.971 42.059 0.038 0.000 0.952 145 L HN 0.390 nan 8.230 nan 0.000 0.452 146 S N -1.583 114.167 115.700 0.082 0.000 2.481 146 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 146 S C 0.367 174.928 174.600 -0.065 0.000 0.996 146 S CA 0.427 58.639 58.200 0.020 0.000 0.942 146 S CB -0.176 63.053 63.200 0.048 0.000 0.768 146 S HN 0.236 nan 8.310 nan 0.000 0.520 147 Y N 0.513 120.755 120.300 -0.097 0.000 2.299 147 Y HA 0.323 4.872 4.550 -0.000 0.000 0.326 147 Y C 0.147 175.943 175.900 -0.173 0.000 1.164 147 Y CA -1.107 56.802 58.100 -0.319 0.000 1.234 147 Y CB 0.290 38.570 38.460 -0.300 0.000 1.219 147 Y HN 0.052 nan 8.280 nan 0.000 0.497 148 Y N 1.114 121.437 120.300 0.038 0.000 2.497 148 Y HA 0.039 4.589 4.550 0.000 0.000 0.334 148 Y C 1.080 177.005 175.900 0.043 0.000 1.199 148 Y CA 0.155 58.303 58.100 0.081 0.000 1.425 148 Y CB 0.440 38.908 38.460 0.015 0.000 1.291 148 Y HN 0.553 nan 8.280 nan 0.000 0.562 149 T N 3.382 118.051 114.554 0.191 0.000 2.770 149 T HA 0.424 4.774 4.350 -0.000 0.000 0.281 149 T C -0.324 174.427 174.700 0.085 0.000 0.981 149 T CA -0.703 61.436 62.100 0.066 0.000 0.955 149 T CB 0.347 69.210 68.868 -0.008 0.000 1.060 149 T HN 0.441 nan 8.240 nan 0.000 0.531 150 R N 1.028 121.580 120.500 0.086 0.000 2.502 150 R HA 0.537 4.877 4.340 -0.000 0.000 0.300 150 R C 0.617 177.039 176.300 0.203 0.000 0.984 150 R CA -0.436 55.735 56.100 0.118 0.000 0.882 150 R CB 1.371 31.736 30.300 0.108 0.000 1.180 150 R HN 0.723 nan 8.270 nan 0.000 0.444 151 A N 3.813 126.788 122.820 0.259 0.000 2.014 151 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 151 A C 0.674 178.398 177.584 0.234 0.000 1.163 151 A CA 0.998 53.239 52.037 0.340 0.000 0.652 151 A CB 0.232 19.620 19.000 0.646 0.000 0.808 151 A HN 0.478 nan 8.150 nan 0.000 0.449 152 L N 0.351 121.672 121.223 0.164 0.000 2.381 152 L HA 0.373 4.713 4.340 -0.000 0.000 0.268 152 L C -2.565 174.224 176.870 -0.136 0.000 0.997 152 L CA -2.582 52.205 54.840 -0.089 0.000 0.818 152 L CB 2.648 44.441 42.059 -0.444 0.000 1.310 152 L HN -0.013 nan 8.230 nan 0.000 0.416 153 P HA 0.120 nan 4.420 nan 0.000 0.269 153 P C -2.655 174.506 177.300 -0.232 0.000 1.209 153 P CA -1.140 61.689 63.100 -0.451 0.000 0.776 153 P CB -0.286 30.932 31.700 -0.803 0.000 0.876 154 P HA 0.010 nan 4.420 nan 0.000 0.271 154 P C -0.138 177.105 177.300 -0.094 0.000 1.218 154 P CA 0.016 63.084 63.100 -0.053 0.000 0.780 154 P CB 0.348 32.049 31.700 0.002 0.000 0.901 155 V N 2.125 122.008 119.914 -0.051 0.000 2.617 155 V HA 0.070 4.189 4.120 -0.000 0.000 0.304 155 V C 1.299 177.354 176.094 -0.065 0.000 1.040 155 V CA 0.102 62.360 62.300 -0.070 0.000 1.149 155 V CB -0.381 31.429 31.823 -0.021 0.000 0.914 155 V HN 0.755 nan 8.190 nan 0.000 0.487 156 A N 3.963 126.716 122.820 -0.112 0.000 2.520 156 A HA 0.087 4.407 4.320 -0.000 0.000 0.235 156 A C 1.257 178.846 177.584 0.008 0.000 1.065 156 A CA -0.212 51.783 52.037 -0.070 0.000 0.764 156 A CB -0.049 18.884 19.000 -0.111 0.000 1.002 156 A HN 0.925 nan 8.150 nan 0.000 0.502 157 D N 0.864 121.289 120.400 0.041 0.000 2.190 157 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 157 D C 0.881 177.218 176.300 0.062 0.000 0.992 157 D CA 2.036 56.068 54.000 0.053 0.000 0.854 157 D CB -0.041 40.794 40.800 0.060 0.000 0.936 157 D HN 0.807 nan 8.370 nan 0.000 0.462 158 D N -0.523 119.931 120.400 0.089 0.000 2.368 158 D HA -0.013 4.627 4.640 -0.000 0.000 0.218 158 D C 0.083 176.444 176.300 0.101 0.000 1.112 158 D CA -0.450 53.613 54.000 0.106 0.000 0.834 158 D CB -0.886 40.000 40.800 0.142 0.000 0.953 158 D HN -0.014 nan 8.370 nan 0.000 0.505 159 c N 2.552 121.176 118.600 0.041 0.000 2.634 159 c HA 0.089 4.659 4.570 -0.000 0.000 0.417 159 c C -0.373 173.674 174.090 -0.072 0.000 1.334 159 c CA -0.785 55.505 56.329 -0.065 0.000 1.829 159 c CB 0.848 43.307 42.510 -0.084 0.000 2.665 159 c HN 0.346 nan 8.230 nan 0.000 0.614 160 P HA -0.007 nan 4.420 nan 0.000 0.230 160 P C 0.327 177.604 177.300 -0.039 0.000 1.158 160 P CA 1.223 64.283 63.100 -0.066 0.000 0.769 160 P CB 0.191 31.841 31.700 -0.083 0.000 0.807 161 T N -0.460 114.061 114.554 -0.054 0.000 2.916 161 T HA 0.360 4.710 4.350 -0.000 0.000 0.305 161 T C -2.235 172.461 174.700 -0.008 0.000 1.119 161 T CA -1.488 60.600 62.100 -0.020 0.000 1.008 161 T CB 2.134 70.990 68.868 -0.019 0.000 1.129 161 T HN -0.322 nan 8.240 nan 0.000 0.480 162 P HA -0.038 nan 4.420 nan 0.000 0.216 162 P C 1.239 178.561 177.300 0.037 0.000 1.150 162 P CA 1.101 64.221 63.100 0.033 0.000 0.843 162 P CB 0.168 31.898 31.700 0.051 0.000 0.787 163 M N -2.737 116.886 119.600 0.038 0.000 2.428 163 M HA 0.299 4.779 4.480 -0.000 0.000 0.239 163 M C 1.269 177.564 176.300 -0.010 0.000 1.121 163 M CA 0.525 55.846 55.300 0.035 0.000 1.019 163 M CB -0.328 32.308 32.600 0.061 0.000 1.485 163 M HN 0.069 nan 8.290 nan 0.000 0.484 164 G N 0.108 108.888 108.800 -0.034 0.000 1.695 164 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.089 164 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.089 164 G C 0.172 175.009 174.900 -0.105 0.000 1.061 164 G CA 0.226 45.281 45.100 -0.075 0.000 1.207 164 G HN 0.315 nan 8.290 nan 0.000 0.389 165 V N -1.283 118.583 119.914 -0.079 0.000 3.562 165 V HA 0.548 4.668 4.120 -0.000 0.000 0.270 165 V C 0.639 176.720 176.094 -0.022 0.000 1.418 165 V CA 1.083 63.339 62.300 -0.072 0.000 1.033 165 V CB 0.256 32.042 31.823 -0.061 0.000 0.820 165 V HN 0.399 nan 8.190 nan 0.000 0.441 166 K N 1.316 121.712 120.400 -0.007 0.000 2.090 166 K HA 0.659 4.979 4.320 -0.000 0.000 0.249 166 K C 0.636 177.260 176.600 0.040 0.000 0.995 166 K CA 0.452 56.751 56.287 0.019 0.000 0.914 166 K CB 1.144 33.656 32.500 0.020 0.000 1.057 166 K HN 0.695 nan 8.250 nan 0.000 0.462 167 G N 1.156 109.991 108.800 0.058 0.000 2.725 167 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 167 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 167 G C -0.771 174.160 174.900 0.053 0.000 1.357 167 G CA -0.620 44.526 45.100 0.078 0.000 0.866 167 G HN 0.722 nan 8.290 nan 0.000 0.548 168 N N -0.589 118.141 118.700 0.050 0.000 2.379 168 N HA 0.445 5.185 4.740 -0.000 0.000 0.260 168 N C 1.571 177.095 175.510 0.023 0.000 1.254 168 N CA -0.051 53.016 53.050 0.029 0.000 0.958 168 N CB 0.630 39.126 38.487 0.015 0.000 1.208 168 N HN 0.474 nan 8.380 nan 0.000 0.532 169 K N 0.114 120.523 120.400 0.015 0.000 2.147 169 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 169 K C 0.043 176.649 176.600 0.011 0.000 1.049 169 K CA 1.274 57.569 56.287 0.013 0.000 0.936 169 K CB -0.455 32.052 32.500 0.012 0.000 0.722 169 K HN 0.550 nan 8.250 nan 0.000 0.446 170 E N -0.861 119.341 120.200 0.003 0.000 2.212 170 E HA 0.409 4.759 4.350 -0.000 0.000 0.268 170 E C -0.708 175.883 176.600 -0.015 0.000 0.902 170 E CA -0.498 55.899 56.400 -0.004 0.000 0.779 170 E CB 1.766 31.457 29.700 -0.015 0.000 1.172 170 E HN 0.071 nan 8.360 nan 0.000 0.409 171 L N 3.564 124.779 121.223 -0.012 0.000 2.464 171 L HA 0.236 4.576 4.340 -0.000 0.000 0.264 171 L C -1.787 175.004 176.870 -0.131 0.000 1.199 171 L CA -1.631 53.181 54.840 -0.047 0.000 0.818 171 L CB 0.064 42.135 42.059 0.019 0.000 1.102 171 L HN 0.343 nan 8.230 nan 0.000 0.473 172 P HA -0.042 nan 4.420 nan 0.000 0.267 172 P C -0.892 176.308 177.300 -0.167 0.000 1.200 172 P CA -0.344 62.589 63.100 -0.277 0.000 0.772 172 P CB 0.382 31.782 31.700 -0.501 0.000 0.855 173 D N 1.364 121.697 120.400 -0.111 0.000 2.586 173 D HA -0.078 4.562 4.640 -0.000 0.000 0.234 173 D C 1.261 177.530 176.300 -0.053 0.000 1.132 173 D CA 0.487 54.448 54.000 -0.065 0.000 0.860 173 D CB 0.648 41.417 40.800 -0.051 0.000 1.159 173 D HN 0.270 nan 8.370 nan 0.000 0.490 174 S N 3.992 119.679 115.700 -0.022 0.000 2.382 174 S HA -0.257 4.213 4.470 -0.000 0.000 0.228 174 S C 1.815 176.422 174.600 0.012 0.000 1.027 174 S CA 1.236 59.442 58.200 0.009 0.000 0.991 174 S CB -0.269 62.943 63.200 0.020 0.000 0.823 174 S HN 0.661 nan 8.310 nan 0.000 0.469 175 K N 1.321 121.720 120.400 -0.001 0.000 2.074 175 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 175 K C 2.087 178.683 176.600 -0.006 0.000 1.048 175 K CA 1.707 57.993 56.287 -0.002 0.000 0.926 175 K CB -0.143 32.352 32.500 -0.008 0.000 0.713 175 K HN 0.325 nan 8.250 nan 0.000 0.444 176 E N 0.329 120.516 120.200 -0.021 0.000 2.047 176 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 176 E C 2.197 178.786 176.600 -0.018 0.000 0.987 176 E CA 1.203 57.585 56.400 -0.029 0.000 0.799 176 E CB -0.300 29.367 29.700 -0.054 0.000 0.752 176 E HN 0.186 nan 8.360 nan 0.000 0.449 177 V N 1.945 121.854 119.914 -0.010 0.000 2.295 177 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 177 V C 2.587 178.709 176.094 0.046 0.000 1.049 177 V CA 1.677 63.999 62.300 0.036 0.000 1.024 177 V CB -0.690 31.189 31.823 0.094 0.000 0.648 177 V HN 0.155 nan 8.190 nan 0.000 0.447 178 L N 0.352 121.603 121.223 0.047 0.000 1.990 178 L HA -0.249 4.091 4.340 -0.000 0.000 0.213 178 L C 2.430 179.314 176.870 0.024 0.000 1.072 178 L CA 2.244 57.112 54.840 0.046 0.000 0.755 178 L CB -0.645 41.442 42.059 0.045 0.000 0.889 178 L HN 0.374 nan 8.230 nan 0.000 0.432 179 E N -0.991 119.216 120.200 0.011 0.000 2.107 179 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 179 E C 2.101 178.701 176.600 -0.001 0.000 0.982 179 E CA 0.873 57.275 56.400 0.002 0.000 0.809 179 E CB 0.005 29.703 29.700 -0.004 0.000 0.756 179 E HN 0.390 nan 8.360 nan 0.000 0.459 180 K N 0.271 120.668 120.400 -0.004 0.000 2.031 180 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 180 K C 2.115 178.710 176.600 -0.008 0.000 1.049 180 K CA 1.475 57.757 56.287 -0.010 0.000 0.939 180 K CB 0.065 32.554 32.500 -0.017 0.000 0.717 180 K HN 0.211 nan 8.250 nan 0.000 0.438 181 V N -3.006 116.908 119.914 -0.000 0.000 3.502 181 V HA 0.218 4.338 4.120 -0.000 0.000 0.288 181 V C 1.474 177.563 176.094 -0.008 0.000 1.461 181 V CA 0.014 62.310 62.300 -0.006 0.000 1.029 181 V CB -0.014 31.806 31.823 -0.004 0.000 0.843 181 V HN 0.009 nan 8.190 nan 0.000 0.438 182 L N -0.292 120.933 121.223 0.003 0.000 2.526 182 L HA 0.428 4.768 4.340 -0.000 0.000 0.210 182 L C 0.905 177.787 176.870 0.020 0.000 1.048 182 L CA 0.128 54.973 54.840 0.008 0.000 0.852 182 L CB 0.306 42.381 42.059 0.026 0.000 1.128 182 L HN 0.180 nan 8.230 nan 0.000 0.482 183 L N 1.548 122.782 121.223 0.018 0.000 2.456 183 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 183 L C 0.729 177.608 176.870 0.015 0.000 1.189 183 L CA 0.108 54.958 54.840 0.018 0.000 0.846 183 L CB 0.404 42.469 42.059 0.009 0.000 1.111 183 L HN 0.204 nan 8.230 nan 0.000 0.475 184 R N 2.242 122.757 120.500 0.024 0.000 2.347 184 R HA 0.111 4.451 4.340 -0.000 0.000 0.304 184 R C 0.255 176.570 176.300 0.025 0.000 1.072 184 R CA -0.260 55.857 56.100 0.029 0.000 0.980 184 R CB 0.747 31.085 30.300 0.063 0.000 0.986 184 R HN 0.580 nan 8.270 nan 0.000 0.448 185 R N 2.029 122.539 120.500 0.017 0.000 1.950 185 R HA 0.141 4.481 4.340 -0.000 0.000 0.197 185 R C 0.071 176.393 176.300 0.036 0.000 1.471 185 R CA 0.577 56.689 56.100 0.020 0.000 1.156 185 R CB -0.190 30.115 30.300 0.008 0.000 0.905 185 R HN 0.634 nan 8.270 nan 0.000 0.489 186 E N 1.203 121.420 120.200 0.029 0.000 2.373 186 E HA -0.006 4.344 4.350 -0.000 0.000 0.267 186 E C -0.728 175.921 176.600 0.082 0.000 1.032 186 E CA -0.251 56.182 56.400 0.055 0.000 0.889 186 E CB 0.401 30.120 29.700 0.031 0.000 0.984 186 E HN 0.052 nan 8.360 nan 0.000 0.425 187 F N 3.455 123.395 119.950 -0.018 0.000 2.608 187 F HA 0.063 4.591 4.527 0.001 0.000 0.380 187 F C -0.226 175.559 175.800 -0.026 0.000 1.083 187 F CA 0.245 58.233 58.000 -0.021 0.000 1.266 187 F CB 0.185 39.169 39.000 -0.026 0.000 1.076 187 F HN 0.275 nan 8.300 nan 0.000 0.574 188 I N 9.194 129.299 120.570 -0.774 0.000 2.359 188 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 188 I C -2.104 173.435 176.117 -0.963 0.000 1.018 188 I CA -2.158 58.758 61.300 -0.640 0.000 1.173 188 I CB 1.182 38.984 38.000 -0.331 0.000 1.326 188 I HN 0.460 nan 8.210 nan 0.000 0.462 189 P HA 0.026 nan 4.420 nan 0.000 0.272 189 P C -0.769 176.353 177.300 -0.296 0.000 1.223 189 P CA -0.247 62.561 63.100 -0.487 0.000 0.784 189 P CB 0.837 32.469 31.700 -0.112 0.000 0.923 190 D N 3.010 123.289 120.400 -0.202 0.000 2.358 190 D HA 0.045 4.684 4.640 -0.000 0.000 0.258 190 D C -1.134 175.064 176.300 -0.171 0.000 1.223 190 D CA -1.984 51.893 54.000 -0.205 0.000 0.886 190 D CB 0.342 41.021 40.800 -0.201 0.000 1.120 190 D HN 0.170 nan 8.370 nan 0.000 0.482 191 P HA -0.158 nan 4.420 nan 0.000 0.222 191 P C 0.781 177.987 177.300 -0.157 0.000 1.147 191 P CA 0.985 63.996 63.100 -0.148 0.000 0.790 191 P CB 0.286 31.899 31.700 -0.144 0.000 0.780 192 Q N -1.007 118.662 119.800 -0.220 0.000 2.472 192 Q HA 0.151 4.491 4.340 -0.000 0.000 0.208 192 Q C 1.178 177.096 176.000 -0.136 0.000 0.958 192 Q CA 0.595 56.248 55.803 -0.249 0.000 0.932 192 Q CB -0.330 28.141 28.738 -0.444 0.000 1.007 192 Q HN 0.284 nan 8.270 nan 0.000 0.508 193 G N 0.998 109.741 108.800 -0.094 0.000 2.143 193 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.248 193 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.248 193 G C -0.025 174.882 174.900 0.013 0.000 0.991 193 G CA 0.211 45.299 45.100 -0.021 0.000 0.689 193 G HN 0.280 nan 8.290 nan 0.000 0.522 194 S N 1.079 116.768 115.700 -0.018 0.000 2.563 194 S HA 0.332 4.802 4.470 -0.000 0.000 0.294 194 S C 0.931 175.545 174.600 0.023 0.000 1.279 194 S CA 0.578 58.737 58.200 -0.069 0.000 1.069 194 S CB 0.544 63.610 63.200 -0.224 0.000 0.828 194 S HN 0.973 nan 8.310 nan 0.000 0.497 195 N N 2.295 121.045 118.700 0.084 0.000 2.643 195 N HA 0.337 5.077 4.740 -0.000 0.000 0.305 195 N C 0.663 176.298 175.510 0.208 0.000 1.283 195 N CA -0.826 52.313 53.050 0.149 0.000 0.946 195 N CB 0.013 38.591 38.487 0.152 0.000 1.149 195 N HN 0.288 nan 8.380 nan 0.000 0.600 196 M N -0.562 119.136 119.600 0.165 0.000 2.419 196 M HA 0.110 4.590 4.480 -0.000 0.000 0.264 196 M C 1.350 177.764 176.300 0.189 0.000 1.082 196 M CA 0.783 56.092 55.300 0.016 0.000 1.119 196 M CB -0.904 31.579 32.600 -0.195 0.000 1.398 196 M HN 0.500 nan 8.290 nan 0.000 0.453 197 M N -0.916 118.928 119.600 0.406 0.000 2.149 197 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 197 M C 2.200 178.971 176.300 0.786 0.000 1.064 197 M CA 1.546 57.214 55.300 0.614 0.000 1.102 197 M CB -1.389 31.512 32.600 0.502 0.000 1.369 197 M HN 0.209 nan 8.290 nan 0.000 0.408 198 F N 0.895 121.135 119.950 0.483 0.000 2.128 198 F HA -0.004 4.524 4.527 0.000 0.000 0.295 198 F C 2.332 178.288 175.800 0.261 0.000 1.100 198 F CA 1.444 59.602 58.000 0.262 0.000 1.260 198 F CB -0.353 38.658 39.000 0.019 0.000 1.009 198 F HN 0.101 nan 8.300 nan 0.000 0.476 199 A N 0.250 123.212 122.820 0.237 0.000 1.883 199 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 199 A C 2.012 179.550 177.584 -0.078 0.000 1.186 199 A CA 1.992 54.038 52.037 0.015 0.000 0.624 199 A CB -1.530 17.376 19.000 -0.156 0.000 0.822 199 A HN 0.442 nan 8.150 nan 0.000 0.444 200 F N -1.925 118.130 119.950 0.176 0.000 2.325 200 F HA 0.054 4.581 4.527 0.000 0.000 0.299 200 F C 1.886 177.793 175.800 0.179 0.000 1.090 200 F CA 0.498 58.617 58.000 0.199 0.000 1.392 200 F CB -0.677 38.478 39.000 0.259 0.000 1.053 200 F HN 0.336 nan 8.300 nan 0.000 0.521 201 F N 0.700 120.750 119.950 0.166 0.000 2.113 201 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 201 F C 2.390 178.085 175.800 -0.174 0.000 1.103 201 F CA 1.298 59.129 58.000 -0.281 0.000 1.248 201 F CB -0.557 38.350 39.000 -0.154 0.000 0.999 201 F HN -0.081 nan 8.300 nan 0.000 0.475 202 A N -0.123 122.731 122.820 0.058 0.000 1.892 202 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 202 A C 2.239 179.755 177.584 -0.114 0.000 1.188 202 A CA 2.081 54.153 52.037 0.058 0.000 0.631 202 A CB -1.135 17.942 19.000 0.129 0.000 0.822 202 A HN 0.593 nan 8.150 nan 0.000 0.447 203 Q N -1.675 118.057 119.800 -0.113 0.000 2.079 203 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 203 Q C 2.181 177.927 176.000 -0.423 0.000 0.974 203 Q CA 1.518 57.149 55.803 -0.287 0.000 0.840 203 Q CB -0.282 28.345 28.738 -0.186 0.000 0.898 203 Q HN 0.897 nan 8.270 nan 0.000 0.430 204 H N -0.497 118.331 119.070 -0.404 0.000 2.293 204 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 204 H C 1.982 177.114 175.328 -0.326 0.000 1.082 204 H CA 1.771 57.541 56.048 -0.463 0.000 1.308 204 H CB -0.325 29.166 29.762 -0.453 0.000 1.375 204 H HN 0.290 nan 8.280 nan 0.000 0.495 205 F N 2.032 121.613 119.950 -0.616 0.000 2.069 205 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 205 F C 2.802 178.014 175.800 -0.980 0.000 1.113 205 F CA 2.570 60.113 58.000 -0.761 0.000 1.214 205 F CB -0.937 37.557 39.000 -0.844 0.000 0.978 205 F HN 0.259 nan 8.300 nan 0.000 0.474 206 T N -3.027 110.826 114.554 -1.169 0.000 2.995 206 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 206 T C 1.698 175.447 174.700 -1.585 0.000 1.091 206 T CA 1.489 62.435 62.100 -1.924 0.000 1.128 206 T CB -1.063 66.976 68.868 -1.382 0.000 0.891 206 T HN 0.568 nan 8.240 nan 0.000 0.492 207 H N 1.347 119.833 119.070 -0.974 0.000 2.556 207 H HA 0.080 4.636 4.556 -0.000 0.000 0.268 207 H C 2.452 177.384 175.328 -0.660 0.000 0.996 207 H CA 0.736 56.436 56.048 -0.579 0.000 1.157 207 H CB 0.197 29.899 29.762 -0.101 0.000 1.355 207 H HN 0.730 nan 8.280 nan 0.000 0.597 208 Q N 0.807 120.038 119.800 -0.948 0.000 2.269 208 Q HA -0.079 4.260 4.340 -0.000 0.000 0.201 208 Q C 1.041 176.671 176.000 -0.617 0.000 0.946 208 Q CA 1.085 56.393 55.803 -0.825 0.000 0.877 208 Q CB -0.119 27.958 28.738 -1.102 0.000 0.963 208 Q HN 0.501 nan 8.270 nan 0.000 0.472 209 F N -2.715 116.825 119.950 -0.682 0.000 2.746 209 F HA 0.475 5.002 4.527 -0.000 0.000 0.313 209 F C -0.249 175.309 175.800 -0.403 0.000 1.095 209 F CA -1.228 56.425 58.000 -0.579 0.000 1.224 209 F CB 0.365 38.994 39.000 -0.618 0.000 1.060 209 F HN -0.211 nan 8.300 nan 0.000 0.584 210 F N 3.653 123.371 119.950 -0.386 0.000 2.309 210 F HA 0.495 5.022 4.527 -0.001 0.000 0.366 210 F C 0.012 175.607 175.800 -0.341 0.000 1.104 210 F CA -1.654 56.181 58.000 -0.276 0.000 1.179 210 F CB 0.663 39.365 39.000 -0.496 0.000 1.437 210 F HN -0.023 nan 8.300 nan 0.000 0.528 211 K N 1.742 122.136 120.400 -0.011 0.000 3.029 211 K HA 0.201 4.521 4.320 -0.000 0.000 0.169 211 K C -0.248 176.267 176.600 -0.142 0.000 1.090 211 K CA -0.309 55.889 56.287 -0.148 0.000 0.883 211 K CB 0.982 33.358 32.500 -0.207 0.000 1.080 211 K HN 0.280 nan 8.250 nan 0.000 0.613 212 T N 1.690 116.175 114.554 -0.114 0.000 2.871 212 T HA -0.074 4.276 4.350 -0.000 0.000 0.296 212 T C 0.163 174.596 174.700 -0.445 0.000 0.998 212 T CA 0.447 62.434 62.100 -0.187 0.000 1.162 212 T CB 0.233 68.971 68.868 -0.217 0.000 0.947 212 T HN 0.242 nan 8.240 nan 0.000 0.536 213 D N 2.072 122.311 120.400 -0.268 0.000 2.435 213 D HA 0.014 4.654 4.640 -0.000 0.000 0.230 213 D C 1.207 177.396 176.300 -0.186 0.000 1.215 213 D CA -0.227 53.644 54.000 -0.215 0.000 0.947 213 D CB 0.189 40.904 40.800 -0.143 0.000 1.048 213 D HN 0.552 nan 8.370 nan 0.000 0.512 214 H N 1.715 120.776 119.070 -0.015 0.000 2.491 214 H HA -0.071 4.485 4.556 -0.000 0.000 0.290 214 H C 1.774 177.083 175.328 -0.033 0.000 1.050 214 H CA 0.525 56.567 56.048 -0.009 0.000 1.309 214 H CB 0.412 30.169 29.762 -0.008 0.000 1.392 214 H HN 0.223 nan 8.280 nan 0.000 0.554 215 K N 0.755 121.174 120.400 0.032 0.000 2.026 215 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 215 K C 2.405 178.949 176.600 -0.094 0.000 1.048 215 K CA 1.062 57.330 56.287 -0.032 0.000 0.929 215 K CB -0.053 32.410 32.500 -0.062 0.000 0.713 215 K HN 0.478 nan 8.250 nan 0.000 0.439 216 R N -1.134 119.257 120.500 -0.182 0.000 2.112 216 R HA 0.219 4.559 4.340 -0.000 0.000 0.216 216 R C 1.131 177.320 176.300 -0.184 0.000 1.080 216 R CA 0.844 56.718 56.100 -0.378 0.000 0.996 216 R CB 0.356 30.133 30.300 -0.872 0.000 0.902 216 R HN 0.434 nan 8.270 nan 0.000 0.449 217 G N -0.329 108.483 108.800 0.019 0.000 2.339 217 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.381 217 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.381 217 G C -2.586 172.447 174.900 0.222 0.000 1.400 217 G CA -0.913 44.288 45.100 0.169 0.000 1.002 217 G HN -0.202 nan 8.290 nan 0.000 0.633 218 P HA 0.038 nan 4.420 nan 0.000 0.226 218 P C 1.585 178.984 177.300 0.165 0.000 1.153 218 P CA 1.546 64.718 63.100 0.120 0.000 0.777 218 P CB 0.045 31.772 31.700 0.045 0.000 0.794 219 G N -1.702 107.193 108.800 0.158 0.000 2.920 219 G HA2 0.086 4.045 3.960 -0.000 0.000 0.208 219 G HA3 0.086 4.045 3.960 -0.000 0.000 0.208 219 G C -0.044 174.756 174.900 -0.166 0.000 1.159 219 G CA -0.066 45.056 45.100 0.036 0.000 0.784 219 G HN 0.164 nan 8.290 nan 0.000 0.535 220 F N -0.611 119.343 119.950 0.007 0.000 2.532 220 F HA 0.596 5.123 4.527 -0.000 0.000 0.321 220 F C 0.311 175.830 175.800 -0.467 0.000 1.089 220 F CA -0.770 57.066 58.000 -0.274 0.000 0.926 220 F CB 2.591 41.413 39.000 -0.297 0.000 1.168 220 F HN -0.175 nan 8.300 nan 0.000 0.459 221 T N 1.311 115.543 114.554 -0.537 0.000 2.908 221 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 221 T C 0.596 175.078 174.700 -0.362 0.000 1.034 221 T CA -0.559 61.128 62.100 -0.688 0.000 1.010 221 T CB 1.253 69.396 68.868 -1.209 0.000 1.068 221 T HN 0.732 nan 8.240 nan 0.000 0.481 222 R N 1.505 121.823 120.500 -0.303 0.000 2.365 222 R HA 0.248 4.588 4.340 -0.000 0.000 0.223 222 R C 1.213 177.370 176.300 -0.238 0.000 0.899 222 R CA -0.124 55.841 56.100 -0.225 0.000 1.059 222 R CB 0.555 30.747 30.300 -0.181 0.000 1.086 222 R HN 0.606 nan 8.270 nan 0.000 0.522 223 G N 1.395 110.009 108.800 -0.310 0.000 3.064 223 G HA2 0.175 4.134 3.960 -0.000 0.000 0.286 223 G HA3 0.175 4.134 3.960 -0.000 0.000 0.286 223 G C 0.686 175.341 174.900 -0.409 0.000 0.834 223 G CA -0.360 44.554 45.100 -0.310 0.000 1.856 223 G HN 0.136 nan 8.290 nan 0.000 0.559 224 L N 1.686 122.760 121.223 -0.247 0.000 2.478 224 L HA 0.072 4.412 4.340 -0.000 0.000 0.223 224 L C 2.624 179.485 176.870 -0.015 0.000 1.140 224 L CA 0.688 55.443 54.840 -0.141 0.000 0.842 224 L CB 0.140 42.162 42.059 -0.061 0.000 0.953 224 L HN 0.522 nan 8.230 nan 0.000 0.452 225 G N -2.223 106.537 108.800 -0.066 0.000 2.572 225 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.216 225 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.216 225 G C 0.610 175.544 174.900 0.057 0.000 1.133 225 G CA -0.127 44.974 45.100 0.001 0.000 0.791 225 G HN 0.560 nan 8.290 nan 0.000 0.538 226 H N -0.489 118.544 119.070 -0.062 0.000 2.713 226 H HA -0.166 4.390 4.556 -0.000 0.000 0.311 226 H C 1.154 176.426 175.328 -0.093 0.000 1.175 226 H CA 1.128 57.139 56.048 -0.062 0.000 1.143 226 H CB -1.377 28.343 29.762 -0.069 0.000 1.434 226 H HN 0.829 nan 8.280 nan 0.000 0.418 227 G N -1.678 107.098 108.800 -0.039 0.000 2.404 227 G HA2 0.175 4.135 3.960 -0.000 0.000 0.253 227 G HA3 0.175 4.135 3.960 -0.000 0.000 0.253 227 G C -0.760 174.123 174.900 -0.029 0.000 1.253 227 G CA -0.275 44.751 45.100 -0.123 0.000 0.917 227 G HN 0.173 nan 8.290 nan 0.000 0.480 228 V N 2.531 122.440 119.914 -0.009 0.000 2.153 228 V HA 0.261 4.380 4.120 -0.000 0.000 0.250 228 V C 0.613 176.741 176.094 0.057 0.000 1.334 228 V CA 0.970 63.300 62.300 0.049 0.000 1.249 228 V CB 0.083 31.993 31.823 0.145 0.000 1.371 228 V HN 0.752 nan 8.190 nan 0.000 0.498 229 D N 2.520 122.939 120.400 0.032 0.000 2.407 229 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 229 D C 0.873 177.255 176.300 0.136 0.000 1.083 229 D CA -0.416 53.624 54.000 0.068 0.000 0.844 229 D CB 0.244 41.069 40.800 0.041 0.000 0.967 229 D HN 0.212 nan 8.370 nan 0.000 0.506 230 L N 0.705 122.010 121.223 0.136 0.000 3.898 230 L HA -0.291 4.049 4.340 -0.000 0.000 0.407 230 L C 0.953 178.018 176.870 0.325 0.000 1.207 230 L CA 0.786 55.801 54.840 0.291 0.000 0.931 230 L CB -3.040 39.193 42.059 0.289 0.000 2.014 230 L HN 0.398 nan 8.230 nan 0.000 0.858 231 N N -0.797 118.015 118.700 0.186 0.000 2.364 231 N HA -0.201 4.539 4.740 -0.000 0.000 0.183 231 N C 1.693 177.228 175.510 0.043 0.000 1.022 231 N CA 1.715 54.827 53.050 0.104 0.000 0.883 231 N CB -0.305 38.178 38.487 -0.006 0.000 0.965 231 N HN 0.728 nan 8.380 nan 0.000 0.438 232 H N -0.662 118.269 119.070 -0.231 0.000 2.546 232 H HA 0.098 4.654 4.556 -0.000 0.000 0.277 232 H C 1.436 176.634 175.328 -0.216 0.000 1.004 232 H CA 0.783 56.623 56.048 -0.348 0.000 1.231 232 H CB -0.354 29.159 29.762 -0.415 0.000 1.382 232 H HN 0.436 nan 8.280 nan 0.000 0.580 233 I N -0.998 119.340 120.570 -0.388 0.000 3.039 233 I HA -0.046 4.123 4.170 -0.000 0.000 0.270 233 I C 1.229 177.106 176.117 -0.400 0.000 1.150 233 I CA 0.234 61.233 61.300 -0.503 0.000 1.448 233 I CB 0.115 37.608 38.000 -0.844 0.000 1.197 233 I HN -0.020 nan 8.210 nan 0.000 0.450 234 Y N 1.094 121.394 120.300 -0.001 0.000 2.458 234 Y HA 0.486 5.036 4.550 -0.000 0.000 0.254 234 Y C 1.113 177.039 175.900 0.043 0.000 1.120 234 Y CA 0.001 58.143 58.100 0.069 0.000 1.282 234 Y CB 0.197 38.755 38.460 0.162 0.000 1.109 234 Y HN 0.098 nan 8.280 nan 0.000 0.526 235 G N 0.996 109.861 108.800 0.108 0.000 2.785 235 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 235 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 235 G C 0.141 175.064 174.900 0.037 0.000 1.155 235 G CA -0.103 45.021 45.100 0.040 0.000 0.760 235 G HN 0.175 nan 8.290 nan 0.000 0.624 236 E N -0.146 120.042 120.200 -0.021 0.000 2.110 236 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 236 E C 1.809 178.394 176.600 -0.024 0.000 0.988 236 E CA 2.327 58.706 56.400 -0.036 0.000 0.804 236 E CB 0.039 29.693 29.700 -0.077 0.000 0.745 236 E HN 1.182 nan 8.360 nan 0.000 0.458 237 T N -2.399 112.140 114.554 -0.025 0.000 2.940 237 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 237 T C 0.894 175.567 174.700 -0.046 0.000 1.033 237 T CA -0.622 61.456 62.100 -0.036 0.000 1.033 237 T CB 1.307 70.148 68.868 -0.044 0.000 1.079 237 T HN 0.042 nan 8.240 nan 0.000 0.496 238 L N 1.480 122.649 121.223 -0.090 0.000 2.131 238 L HA -0.011 4.328 4.340 -0.000 0.000 0.210 238 L C 2.319 179.048 176.870 -0.235 0.000 1.092 238 L CA 1.978 56.697 54.840 -0.201 0.000 0.759 238 L CB -0.911 40.992 42.059 -0.260 0.000 0.903 238 L HN 0.891 nan 8.230 nan 0.000 0.435 239 D N -1.156 119.170 120.400 -0.123 0.000 2.092 239 D HA -0.251 4.389 4.640 -0.000 0.000 0.193 239 D C 2.322 178.629 176.300 0.013 0.000 0.994 239 D CA 1.520 55.492 54.000 -0.046 0.000 0.828 239 D CB -0.223 40.561 40.800 -0.027 0.000 0.963 239 D HN 0.461 nan 8.370 nan 0.000 0.450 240 R N 0.252 120.754 120.500 0.002 0.000 2.073 240 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 240 R C 2.580 178.913 176.300 0.054 0.000 1.134 240 R CA 1.841 57.956 56.100 0.025 0.000 0.952 240 R CB -0.354 29.949 30.300 0.004 0.000 0.850 240 R HN 0.335 nan 8.270 nan 0.000 0.433 241 Q N -0.212 119.619 119.800 0.053 0.000 2.045 241 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 241 Q C 1.819 177.878 176.000 0.098 0.000 0.991 241 Q CA 2.114 57.963 55.803 0.077 0.000 0.851 241 Q CB -0.225 28.554 28.738 0.068 0.000 0.911 241 Q HN 0.678 nan 8.270 nan 0.000 0.418 242 H N -0.578 118.493 119.070 0.001 0.000 2.421 242 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 242 H C 1.905 177.340 175.328 0.177 0.000 1.087 242 H CA 0.948 57.079 56.048 0.137 0.000 1.330 242 H CB 0.313 30.210 29.762 0.224 0.000 1.388 242 H HN 0.226 nan 8.280 nan 0.000 0.526 243 K N 0.452 120.975 120.400 0.205 0.000 2.296 243 K HA -0.018 4.302 4.320 -0.000 0.000 0.200 243 K C 1.785 178.441 176.600 0.093 0.000 1.048 243 K CA 0.440 56.808 56.287 0.135 0.000 0.966 243 K CB 0.310 32.863 32.500 0.089 0.000 0.754 243 K HN 0.256 nan 8.250 nan 0.000 0.466 244 L N 0.242 121.504 121.223 0.065 0.000 2.375 244 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 244 L C 0.820 177.687 176.870 -0.006 0.000 1.108 244 L CA 0.154 55.019 54.840 0.042 0.000 0.830 244 L CB 0.100 42.188 42.059 0.050 0.000 0.959 244 L HN 0.010 nan 8.230 nan 0.000 0.457 245 R N -0.073 120.356 120.500 -0.119 0.000 2.490 245 R HA 0.102 4.442 4.340 -0.000 0.000 0.278 245 R C 0.781 176.967 176.300 -0.190 0.000 1.069 245 R CA -0.416 55.484 56.100 -0.334 0.000 1.080 245 R CB 1.273 30.992 30.300 -0.968 0.000 1.030 245 R HN -0.069 nan 8.270 nan 0.000 0.491 246 L N 2.650 123.805 121.223 -0.114 0.000 2.270 246 L HA 0.098 4.438 4.340 -0.000 0.000 0.210 246 L C 0.195 177.148 176.870 0.140 0.000 1.104 246 L CA 1.271 56.138 54.840 0.045 0.000 0.804 246 L CB -0.153 41.967 42.059 0.102 0.000 0.937 246 L HN 0.812 nan 8.230 nan 0.000 0.450 247 F N -0.778 119.164 119.950 -0.013 0.000 2.953 247 F HA -0.289 4.238 4.527 -0.000 0.000 0.292 247 F C 0.715 176.526 175.800 0.018 0.000 0.747 247 F CA 1.264 59.242 58.000 -0.036 0.000 1.222 247 F CB -1.686 37.258 39.000 -0.092 0.000 1.457 247 F HN 0.202 nan 8.300 nan 0.000 0.383 248 K N 0.628 121.122 120.400 0.156 0.000 2.426 248 K HA 0.469 4.789 4.320 -0.000 0.000 0.254 248 K C 0.138 176.828 176.600 0.150 0.000 0.936 248 K CA -0.290 56.084 56.287 0.145 0.000 0.801 248 K CB 1.211 33.789 32.500 0.130 0.000 1.139 248 K HN 0.018 nan 8.250 nan 0.000 0.424 249 D N 3.181 123.671 120.400 0.151 0.000 3.012 249 D HA -0.185 4.455 4.640 -0.000 0.000 0.222 249 D C 0.654 177.070 176.300 0.192 0.000 1.167 249 D CA 1.841 55.938 54.000 0.161 0.000 0.854 249 D CB -1.351 39.534 40.800 0.143 0.000 1.107 249 D HN 1.095 nan 8.370 nan 0.000 0.421 250 G N -0.634 108.293 108.800 0.211 0.000 2.162 250 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 250 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 250 G C 0.374 175.546 174.900 0.454 0.000 0.976 250 G CA 0.912 46.197 45.100 0.307 0.000 0.655 250 G HN 0.505 nan 8.290 nan 0.000 0.533 251 K N -0.497 120.096 120.400 0.323 0.000 2.090 251 K HA 0.689 5.008 4.320 -0.000 0.000 0.250 251 K C 0.657 177.432 176.600 0.292 0.000 1.004 251 K CA -0.676 55.843 56.287 0.386 0.000 0.919 251 K CB 0.917 33.595 32.500 0.296 0.000 1.045 251 K HN 0.165 nan 8.250 nan 0.000 0.471 252 L N 1.877 123.271 121.223 0.286 0.000 2.357 252 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 252 L C 0.339 177.357 176.870 0.247 0.000 1.080 252 L CA -0.625 54.313 54.840 0.164 0.000 0.803 252 L CB 0.925 43.036 42.059 0.086 0.000 1.174 252 L HN 0.436 nan 8.230 nan 0.000 0.443 253 K N 1.502 121.992 120.400 0.151 0.000 2.397 253 K HA 0.230 4.550 4.320 -0.000 0.000 0.265 253 K C -1.100 175.638 176.600 0.231 0.000 0.982 253 K CA 0.481 56.838 56.287 0.116 0.000 0.931 253 K CB 0.455 32.979 32.500 0.040 0.000 0.943 253 K HN 0.479 nan 8.250 nan 0.000 0.501 254 Y N -2.520 117.826 120.300 0.077 0.000 2.750 254 Y HA 0.256 4.806 4.550 -0.000 0.000 0.335 254 Y C -1.626 174.332 175.900 0.098 0.000 1.252 254 Y CA -1.403 56.750 58.100 0.088 0.000 1.064 254 Y CB 0.933 39.432 38.460 0.066 0.000 1.321 254 Y HN 0.607 nan 8.280 nan 0.000 0.451 255 Q N 0.573 120.549 119.800 0.294 0.000 2.451 255 Q HA 0.835 5.175 4.340 -0.000 0.000 0.281 255 Q C -2.068 174.131 176.000 0.331 0.000 1.099 255 Q CA -1.363 54.564 55.803 0.208 0.000 0.806 255 Q CB 3.161 32.005 28.738 0.175 0.000 1.419 255 Q HN 0.608 nan 8.270 nan 0.000 0.427 256 V N 2.477 122.536 119.914 0.241 0.000 2.357 256 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 256 V C -0.606 175.598 176.094 0.184 0.000 1.018 256 V CA -0.484 61.947 62.300 0.218 0.000 0.841 256 V CB 0.945 32.874 31.823 0.178 0.000 0.991 256 V HN 0.657 nan 8.190 nan 0.000 0.437 257 I N 3.736 124.452 120.570 0.244 0.000 2.410 257 I HA 0.599 4.768 4.170 -0.000 0.000 0.286 257 I C 1.069 177.287 176.117 0.168 0.000 1.009 257 I CA -0.418 60.994 61.300 0.187 0.000 1.111 257 I CB 1.699 39.800 38.000 0.168 0.000 1.262 257 I HN 0.810 nan 8.210 nan 0.000 0.443 258 G N 4.325 113.183 108.800 0.096 0.000 2.305 258 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.287 258 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.287 258 G C 1.022 175.959 174.900 0.063 0.000 1.036 258 G CA 0.603 45.745 45.100 0.070 0.000 0.887 258 G HN 1.536 nan 8.290 nan 0.000 0.505 259 G N -1.791 107.045 108.800 0.061 0.000 2.189 259 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.267 259 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.267 259 G C 0.152 175.059 174.900 0.013 0.000 0.975 259 G CA 0.966 46.088 45.100 0.036 0.000 0.644 259 G HN 0.927 nan 8.290 nan 0.000 0.537 260 E N -0.090 120.130 120.200 0.033 0.000 2.191 260 E HA 0.513 4.863 4.350 -0.000 0.000 0.278 260 E C 0.129 176.649 176.600 -0.133 0.000 0.972 260 E CA -0.709 55.638 56.400 -0.089 0.000 0.804 260 E CB 2.164 31.802 29.700 -0.103 0.000 1.110 260 E HN 0.087 nan 8.360 nan 0.000 0.394 261 V N 4.416 124.162 119.914 -0.280 0.000 2.427 261 V HA 0.135 4.254 4.120 -0.000 0.000 0.268 261 V C -0.663 175.197 176.094 -0.390 0.000 1.046 261 V CA 0.069 62.244 62.300 -0.208 0.000 0.970 261 V CB -0.464 31.205 31.823 -0.257 0.000 1.001 261 V HN 0.491 nan 8.190 nan 0.000 0.476 262 Y N 5.296 125.619 120.300 0.038 0.000 2.598 262 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 262 Y C -2.196 173.740 175.900 0.059 0.000 1.038 262 Y CA -2.796 55.281 58.100 -0.040 0.000 1.100 262 Y CB 1.858 40.280 38.460 -0.063 0.000 1.281 262 Y HN 0.429 nan 8.280 nan 0.000 0.488 263 P HA 0.052 nan 4.420 nan 0.000 0.269 263 P C -2.506 175.002 177.300 0.346 0.000 1.215 263 P CA -0.814 62.409 63.100 0.205 0.000 0.780 263 P CB 0.022 31.796 31.700 0.123 0.000 0.898 264 P HA 0.071 nan 4.420 nan 0.000 0.277 264 P C -0.329 177.089 177.300 0.197 0.000 1.276 264 P CA 0.001 63.219 63.100 0.196 0.000 0.788 264 P CB 0.098 31.864 31.700 0.110 0.000 1.114 265 T N -3.614 110.988 114.554 0.080 0.000 2.927 265 T HA 0.243 4.593 4.350 -0.000 0.000 0.281 265 T C 1.389 176.099 174.700 0.016 0.000 0.998 265 T CA -0.658 61.440 62.100 -0.003 0.000 1.019 265 T CB 0.136 68.946 68.868 -0.097 0.000 1.061 265 T HN 0.050 nan 8.240 nan 0.000 0.518 266 V N 1.351 121.263 119.914 -0.004 0.000 2.332 266 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 266 V C 2.832 178.923 176.094 -0.005 0.000 1.055 266 V CA 2.306 64.617 62.300 0.018 0.000 1.038 266 V CB -0.970 30.867 31.823 0.024 0.000 0.651 266 V HN 1.006 nan 8.190 nan 0.000 0.450 267 K N 0.467 120.846 120.400 -0.035 0.000 2.063 267 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 267 K C 1.909 178.497 176.600 -0.020 0.000 1.048 267 K CA 2.002 58.269 56.287 -0.034 0.000 0.928 267 K CB -0.467 32.001 32.500 -0.054 0.000 0.713 267 K HN 0.513 nan 8.250 nan 0.000 0.442 268 D N -0.970 119.420 120.400 -0.016 0.000 2.097 268 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 268 D C 1.658 177.964 176.300 0.009 0.000 0.984 268 D CA 2.055 56.052 54.000 -0.006 0.000 0.826 268 D CB -0.178 40.619 40.800 -0.005 0.000 0.973 268 D HN 0.434 nan 8.370 nan 0.000 0.460 269 T N -4.117 110.450 114.554 0.022 0.000 3.040 269 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 269 T C 0.710 175.429 174.700 0.033 0.000 1.064 269 T CA 0.139 62.261 62.100 0.036 0.000 1.110 269 T CB 0.185 69.084 68.868 0.052 0.000 0.921 269 T HN 0.043 nan 8.240 nan 0.000 0.480 270 Q N 0.028 119.842 119.800 0.024 0.000 2.502 270 Q HA -0.107 4.233 4.340 -0.000 0.000 0.273 270 Q C -0.679 175.337 176.000 0.026 0.000 1.127 270 Q CA 0.239 56.053 55.803 0.019 0.000 0.952 270 Q CB -2.594 26.153 28.738 0.015 0.000 1.333 270 Q HN 0.564 nan 8.270 nan 0.000 0.494 271 V N 1.180 121.115 119.914 0.035 0.000 2.407 271 V HA 0.146 4.265 4.120 -0.000 0.000 0.278 271 V C 0.917 177.034 176.094 0.039 0.000 1.037 271 V CA -0.260 62.062 62.300 0.037 0.000 0.900 271 V CB 1.531 33.383 31.823 0.047 0.000 0.983 271 V HN 0.151 nan 8.190 nan 0.000 0.459 272 E N 5.391 125.604 120.200 0.022 0.000 2.417 272 E HA 0.215 4.565 4.350 -0.000 0.000 0.261 272 E C -0.429 176.183 176.600 0.020 0.000 1.000 272 E CA 0.135 56.547 56.400 0.019 0.000 0.919 272 E CB 0.495 30.194 29.700 -0.001 0.000 0.955 272 E HN 0.401 nan 8.360 nan 0.000 0.455 273 M N 2.450 122.078 119.600 0.046 0.000 2.572 273 M HA 0.387 4.867 4.480 -0.000 0.000 0.299 273 M C -0.699 175.573 176.300 -0.046 0.000 1.205 273 M CA -0.985 54.316 55.300 0.003 0.000 0.876 273 M CB 1.721 34.393 32.600 0.120 0.000 1.728 273 M HN 0.351 nan 8.290 nan 0.000 0.458 274 I N 2.858 123.326 120.570 -0.170 0.000 2.308 274 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 274 I C -1.097 174.845 176.117 -0.292 0.000 1.078 274 I CA -0.044 61.173 61.300 -0.139 0.000 1.292 274 I CB -1.151 36.816 38.000 -0.055 0.000 1.423 274 I HN 0.527 nan 8.210 nan 0.000 0.493 275 Y N 6.445 126.707 120.300 -0.063 0.000 2.457 275 Y HA 0.406 4.956 4.550 -0.000 0.000 0.343 275 Y C -1.914 173.771 175.900 -0.359 0.000 0.994 275 Y CA -2.086 55.886 58.100 -0.213 0.000 1.031 275 Y CB 2.040 40.415 38.460 -0.142 0.000 1.246 275 Y HN 0.443 nan 8.280 nan 0.000 0.449 276 P HA 0.086 nan 4.420 nan 0.000 0.269 276 P C -2.365 174.743 177.300 -0.321 0.000 1.215 276 P CA -1.221 61.640 63.100 -0.398 0.000 0.780 276 P CB 0.766 32.140 31.700 -0.543 0.000 0.898 277 P HA -0.169 nan 4.420 nan 0.000 0.218 277 P C 1.184 178.426 177.300 -0.097 0.000 1.148 277 P CA 1.627 64.671 63.100 -0.092 0.000 0.822 277 P CB -0.550 31.138 31.700 -0.019 0.000 0.784 278 H N -2.435 116.597 119.070 -0.063 0.000 2.559 278 H HA 0.069 4.625 4.556 -0.000 0.000 0.273 278 H C 0.608 175.893 175.328 -0.072 0.000 1.000 278 H CA -0.124 55.890 56.048 -0.056 0.000 1.195 278 H CB -0.865 28.874 29.762 -0.037 0.000 1.368 278 H HN -0.006 nan 8.280 nan 0.000 0.592 279 I N 4.415 124.756 120.570 -0.381 0.000 2.517 279 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 279 I C -1.983 173.988 176.117 -0.243 0.000 1.106 279 I CA -2.992 58.125 61.300 -0.305 0.000 1.402 279 I CB 0.234 38.004 38.000 -0.384 0.000 1.399 279 I HN 0.210 nan 8.210 nan 0.000 0.535 280 P HA 0.070 nan 4.420 nan 0.000 0.272 280 P C 0.817 177.967 177.300 -0.250 0.000 1.223 280 P CA -0.263 62.729 63.100 -0.181 0.000 0.784 280 P CB 1.174 32.789 31.700 -0.141 0.000 0.923 281 E N 2.636 122.716 120.200 -0.201 0.000 2.113 281 E HA -0.334 4.016 4.350 -0.000 0.000 0.210 281 E C 1.443 177.877 176.600 -0.277 0.000 1.040 281 E CA 2.115 58.390 56.400 -0.208 0.000 0.847 281 E CB -0.256 29.358 29.700 -0.142 0.000 0.755 281 E HN 0.520 nan 8.360 nan 0.000 0.459 282 N N 0.582 119.122 118.700 -0.267 0.000 2.453 282 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 282 N C 1.536 176.718 175.510 -0.547 0.000 1.041 282 N CA 0.807 53.664 53.050 -0.321 0.000 0.900 282 N CB -0.190 38.162 38.487 -0.225 0.000 0.961 282 N HN 0.327 nan 8.380 nan 0.000 0.443 283 L N -0.054 120.830 121.223 -0.565 0.000 2.700 283 L HA 0.221 4.561 4.340 -0.000 0.000 0.234 283 L C 0.262 176.595 176.870 -0.895 0.000 1.156 283 L CA -0.018 54.379 54.840 -0.738 0.000 0.946 283 L CB 0.092 41.899 42.059 -0.420 0.000 1.216 283 L HN -0.014 nan 8.230 nan 0.000 0.493 284 Q N 0.785 120.075 119.800 -0.849 0.000 2.771 284 Q HA 0.260 4.599 4.340 -0.000 0.000 0.239 284 Q C -0.905 174.862 176.000 -0.388 0.000 1.231 284 Q CA -0.515 54.747 55.803 -0.902 0.000 1.056 284 Q CB 0.438 28.798 28.738 -0.630 0.000 1.284 284 Q HN 0.098 nan 8.270 nan 0.000 0.558 285 F N 1.189 121.125 119.950 -0.024 0.000 2.538 285 F HA 0.185 4.712 4.527 -0.000 0.000 0.371 285 F C 0.830 176.751 175.800 0.201 0.000 1.087 285 F CA -0.513 57.549 58.000 0.103 0.000 1.250 285 F CB 0.631 39.701 39.000 0.116 0.000 1.110 285 F HN 0.307 nan 8.300 nan 0.000 0.570 286 A N 4.262 127.274 122.820 0.319 0.000 2.252 286 A HA 0.702 5.022 4.320 -0.000 0.000 0.309 286 A C -0.550 177.142 177.584 0.180 0.000 1.285 286 A CA -0.487 51.679 52.037 0.216 0.000 0.900 286 A CB 0.153 19.237 19.000 0.140 0.000 1.157 286 A HN 0.738 nan 8.150 nan 0.000 0.536 287 V N 0.254 120.252 119.914 0.139 0.000 3.141 287 V HA 0.858 4.978 4.120 -0.000 0.000 0.312 287 V C 1.191 177.279 176.094 -0.009 0.000 1.157 287 V CA -0.091 62.260 62.300 0.084 0.000 1.041 287 V CB 1.011 32.924 31.823 0.149 0.000 1.071 287 V HN 0.963 nan 8.190 nan 0.000 0.441 288 G N -0.506 108.259 108.800 -0.059 0.000 2.505 288 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 288 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 288 G C 0.744 175.520 174.900 -0.207 0.000 1.145 288 G CA 0.895 45.929 45.100 -0.109 0.000 0.761 288 G HN 0.702 nan 8.290 nan 0.000 0.571 289 Q N 0.484 120.038 119.800 -0.411 0.000 2.303 289 Q HA 0.158 4.498 4.340 -0.000 0.000 0.257 289 Q C 1.427 177.147 176.000 -0.467 0.000 0.941 289 Q CA -0.157 55.248 55.803 -0.663 0.000 0.931 289 Q CB 1.542 29.309 28.738 -1.618 0.000 1.215 289 Q HN 0.759 nan 8.270 nan 0.000 0.437 290 E N 1.879 121.906 120.200 -0.289 0.000 2.265 290 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 290 E C 1.201 177.707 176.600 -0.157 0.000 0.996 290 E CA 1.396 57.693 56.400 -0.171 0.000 0.832 290 E CB -0.085 29.545 29.700 -0.117 0.000 0.756 290 E HN 0.379 nan 8.360 nan 0.000 0.491 291 V N -2.394 117.430 119.914 -0.150 0.000 3.649 291 V HA 0.071 4.191 4.120 -0.000 0.000 0.275 291 V C 1.273 177.453 176.094 0.144 0.000 1.281 291 V CA 0.051 62.347 62.300 -0.007 0.000 1.143 291 V CB -0.809 31.062 31.823 0.080 0.000 0.892 291 V HN 0.007 nan 8.190 nan 0.000 0.441 292 F N 2.686 122.596 119.950 -0.066 0.000 2.699 292 F HA 0.314 4.840 4.527 -0.000 0.000 0.298 292 F C 2.297 178.070 175.800 -0.046 0.000 1.154 292 F CA 0.402 58.380 58.000 -0.036 0.000 1.457 292 F CB -1.175 37.836 39.000 0.018 0.000 1.106 292 F HN 0.389 nan 8.300 nan 0.000 0.585 293 G N -0.298 108.538 108.800 0.059 0.000 2.534 293 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 293 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 293 G C 1.775 176.665 174.900 -0.016 0.000 1.128 293 G CA 0.310 45.444 45.100 0.056 0.000 0.784 293 G HN 0.345 nan 8.290 nan 0.000 0.542 294 L N 0.642 121.740 121.223 -0.209 0.000 2.012 294 L HA 0.067 4.407 4.340 -0.000 0.000 0.210 294 L C 0.575 177.147 176.870 -0.496 0.000 1.073 294 L CA 1.446 55.889 54.840 -0.661 0.000 0.748 294 L CB -0.001 41.834 42.059 -0.373 0.000 0.891 294 L HN 0.001 nan 8.230 nan 0.000 0.431 295 V N -0.950 118.804 119.914 -0.268 0.000 2.531 295 V HA 0.332 4.452 4.120 -0.000 0.000 0.301 295 V C -1.732 174.146 176.094 -0.360 0.000 1.034 295 V CA -1.111 61.007 62.300 -0.302 0.000 0.865 295 V CB 1.255 33.023 31.823 -0.092 0.000 0.995 295 V HN -0.061 nan 8.190 nan 0.000 0.424 296 P HA -0.074 nan 4.420 nan 0.000 0.218 296 P C 1.643 178.761 177.300 -0.303 0.000 1.149 296 P CA 1.490 64.328 63.100 -0.437 0.000 0.817 296 P CB 0.269 31.640 31.700 -0.548 0.000 0.785 297 G N -0.221 108.277 108.800 -0.504 0.000 2.450 297 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 297 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 297 G C 1.447 175.999 174.900 -0.581 0.000 1.130 297 G CA 0.509 44.961 45.100 -1.081 0.000 0.760 297 G HN 0.248 nan 8.290 nan 0.000 0.557 298 L N -0.335 120.668 121.223 -0.367 0.000 2.131 298 L HA 0.061 4.401 4.340 -0.000 0.000 0.206 298 L C 2.956 179.712 176.870 -0.189 0.000 1.087 298 L CA 0.392 55.084 54.840 -0.246 0.000 0.767 298 L CB -0.273 41.574 42.059 -0.353 0.000 0.917 298 L HN 0.117 nan 8.230 nan 0.000 0.441 299 M N -0.674 118.820 119.600 -0.177 0.000 2.296 299 M HA -0.208 4.272 4.480 -0.000 0.000 0.265 299 M C 2.221 178.389 176.300 -0.220 0.000 1.064 299 M CA 1.573 56.782 55.300 -0.152 0.000 1.109 299 M CB -0.692 31.803 32.600 -0.176 0.000 1.396 299 M HN 0.349 nan 8.290 nan 0.000 0.430 300 M N -0.895 118.539 119.600 -0.277 0.000 2.065 300 M HA -0.284 4.196 4.480 -0.000 0.000 0.259 300 M C 2.006 178.124 176.300 -0.302 0.000 1.069 300 M CA 2.019 57.127 55.300 -0.320 0.000 1.110 300 M CB -0.466 31.974 32.600 -0.266 0.000 1.328 300 M HN 0.146 nan 8.290 nan 0.000 0.405 301 Y N 0.122 120.296 120.300 -0.210 0.000 2.274 301 Y HA -0.160 4.389 4.550 -0.000 0.000 0.290 301 Y C 2.592 178.339 175.900 -0.255 0.000 1.145 301 Y CA 1.165 59.073 58.100 -0.320 0.000 1.203 301 Y CB -0.496 37.594 38.460 -0.616 0.000 0.984 301 Y HN 0.447 nan 8.280 nan 0.000 0.533 302 A N -0.463 122.347 122.820 -0.017 0.000 1.933 302 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 302 A C 2.219 179.840 177.584 0.062 0.000 1.175 302 A CA 2.190 54.319 52.037 0.153 0.000 0.628 302 A CB -1.077 18.053 19.000 0.217 0.000 0.814 302 A HN 0.384 nan 8.150 nan 0.000 0.444 303 T N 0.206 114.725 114.554 -0.057 0.000 2.812 303 T HA -0.037 4.313 4.350 -0.000 0.000 0.264 303 T C 1.809 176.432 174.700 -0.128 0.000 1.042 303 T CA 1.365 63.394 62.100 -0.119 0.000 1.140 303 T CB -0.374 68.368 68.868 -0.209 0.000 0.870 303 T HN 0.403 nan 8.240 nan 0.000 0.445 304 I N -0.596 119.879 120.570 -0.157 0.000 2.163 304 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 304 I C 2.200 178.212 176.117 -0.176 0.000 1.085 304 I CA 1.548 62.719 61.300 -0.216 0.000 1.347 304 I CB -0.256 37.572 38.000 -0.287 0.000 1.044 304 I HN 0.337 nan 8.210 nan 0.000 0.408 305 W N 0.159 121.436 121.300 -0.039 0.000 2.436 305 W HA -0.107 4.553 4.660 -0.001 0.000 0.284 305 W C 2.397 178.902 176.519 -0.024 0.000 1.225 305 W CA 0.254 57.589 57.345 -0.018 0.000 1.271 305 W CB -0.230 29.205 29.460 -0.041 0.000 1.114 305 W HN 0.112 nan 8.180 nan 0.000 0.559 306 L N 1.077 122.398 121.223 0.164 0.000 2.046 306 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 306 L C 2.359 179.279 176.870 0.083 0.000 1.077 306 L CA 1.958 56.854 54.840 0.093 0.000 0.747 306 L CB -0.557 41.529 42.059 0.046 0.000 0.896 306 L HN -0.101 nan 8.230 nan 0.000 0.432 307 R N -0.558 119.940 120.500 -0.004 0.000 2.081 307 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 307 R C 2.262 178.559 176.300 -0.006 0.000 1.131 307 R CA 1.423 57.487 56.100 -0.060 0.000 0.960 307 R CB -0.418 29.797 30.300 -0.142 0.000 0.856 307 R HN 0.410 nan 8.270 nan 0.000 0.436 308 E N 0.296 120.508 120.200 0.020 0.000 2.085 308 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 308 E C 1.742 178.435 176.600 0.155 0.000 0.994 308 E CA 1.809 58.242 56.400 0.055 0.000 0.801 308 E CB -0.203 29.518 29.700 0.035 0.000 0.743 308 E HN 0.460 nan 8.360 nan 0.000 0.453 309 H N -0.378 118.786 119.070 0.155 0.000 2.321 309 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 309 H C 1.577 176.987 175.328 0.137 0.000 1.087 309 H CA 2.168 58.328 56.048 0.187 0.000 1.319 309 H CB -0.064 29.837 29.762 0.231 0.000 1.379 309 H HN 0.141 nan 8.280 nan 0.000 0.501 310 N N 0.169 119.004 118.700 0.226 0.000 2.331 310 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 310 N C 1.930 177.454 175.510 0.022 0.000 1.019 310 N CA 0.773 53.899 53.050 0.127 0.000 0.881 310 N CB -0.317 38.211 38.487 0.069 0.000 0.972 310 N HN 0.398 nan 8.380 nan 0.000 0.435 311 R N 0.644 121.146 120.500 0.003 0.000 2.073 311 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 311 R C 1.664 177.959 176.300 -0.009 0.000 1.134 311 R CA 1.076 57.166 56.100 -0.017 0.000 0.952 311 R CB -0.182 30.102 30.300 -0.027 0.000 0.850 311 R HN -0.011 nan 8.270 nan 0.000 0.433 312 V N 0.135 120.042 119.914 -0.011 0.000 2.427 312 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 312 V C 2.518 178.602 176.094 -0.017 0.000 1.051 312 V CA 1.558 63.853 62.300 -0.009 0.000 1.048 312 V CB -0.400 31.424 31.823 0.002 0.000 0.666 312 V HN 0.537 nan 8.190 nan 0.000 0.456 313 C N 0.219 119.482 119.300 -0.062 0.000 2.398 313 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 313 C C 2.528 177.544 174.990 0.045 0.000 1.222 313 C CA 1.221 60.242 59.018 0.006 0.000 1.746 313 C CB -1.086 26.675 27.740 0.035 0.000 2.039 313 C HN 0.603 nan 8.230 nan 0.000 0.470 314 D N 0.549 120.964 120.400 0.026 0.000 2.117 314 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 314 D C 1.914 178.219 176.300 0.009 0.000 0.987 314 D CA 1.153 55.165 54.000 0.020 0.000 0.829 314 D CB -0.375 40.426 40.800 0.003 0.000 0.961 314 D HN 0.483 nan 8.370 nan 0.000 0.460 315 I N 0.431 121.004 120.570 0.005 0.000 2.163 315 I HA -0.226 3.943 4.170 -0.000 0.000 0.240 315 I C 2.425 178.536 176.117 -0.010 0.000 1.081 315 I CA 0.685 61.981 61.300 -0.006 0.000 1.353 315 I CB -0.161 37.839 38.000 0.001 0.000 1.054 315 I HN -0.041 nan 8.210 nan 0.000 0.407 316 L N 0.618 121.858 121.223 0.028 0.000 2.083 316 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 316 L C 2.632 179.501 176.870 -0.001 0.000 1.083 316 L CA 1.346 56.212 54.840 0.043 0.000 0.752 316 L CB -0.598 41.556 42.059 0.157 0.000 0.899 316 L HN 0.261 nan 8.230 nan 0.000 0.433 317 K N 0.216 120.638 120.400 0.037 0.000 2.097 317 K HA -0.249 4.071 4.320 -0.000 0.000 0.205 317 K C 2.143 178.725 176.600 -0.030 0.000 1.050 317 K CA 1.489 57.798 56.287 0.037 0.000 0.938 317 K CB 0.010 32.550 32.500 0.067 0.000 0.718 317 K HN 0.296 nan 8.250 nan 0.000 0.442 318 Q N 0.205 119.975 119.800 -0.049 0.000 2.084 318 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 318 Q C 1.581 177.488 176.000 -0.155 0.000 0.978 318 Q CA 1.431 57.188 55.803 -0.077 0.000 0.844 318 Q CB 0.233 28.935 28.738 -0.061 0.000 0.898 318 Q HN 0.271 nan 8.270 nan 0.000 0.426 319 E N -0.483 119.577 120.200 -0.233 0.000 2.216 319 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 319 E C 0.123 176.268 176.600 -0.758 0.000 0.988 319 E CA 0.849 56.977 56.400 -0.453 0.000 0.834 319 E CB 0.285 29.692 29.700 -0.487 0.000 0.772 319 E HN 0.413 nan 8.360 nan 0.000 0.479 320 H N -0.018 118.818 119.070 -0.390 0.000 2.429 320 H HA 0.159 4.715 4.556 -0.000 0.000 0.231 320 H C -1.813 173.362 175.328 -0.255 0.000 1.416 320 H CA -1.527 54.197 56.048 -0.540 0.000 1.443 320 H CB 1.163 30.088 29.762 -1.394 0.000 1.591 320 H HN -0.016 nan 8.280 nan 0.000 0.507 321 P HA -0.180 nan 4.420 nan 0.000 0.222 321 P C 1.310 178.653 177.300 0.072 0.000 1.142 321 P CA 1.166 64.272 63.100 0.010 0.000 0.788 321 P CB 0.427 32.122 31.700 -0.008 0.000 0.767 322 E N -1.833 118.425 120.200 0.097 0.000 2.474 322 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 322 E C 0.177 176.968 176.600 0.319 0.000 1.041 322 E CA -0.041 56.462 56.400 0.173 0.000 0.874 322 E CB -0.450 29.350 29.700 0.165 0.000 0.914 322 E HN 0.126 nan 8.360 nan 0.000 0.498 323 W N 1.846 123.192 121.300 0.077 0.000 2.184 323 W HA 0.553 5.212 4.660 -0.000 0.000 0.338 323 W C 1.090 177.639 176.519 0.050 0.000 1.257 323 W CA -0.244 57.125 57.345 0.041 0.000 1.243 323 W CB 0.690 30.162 29.460 0.019 0.000 1.122 323 W HN -0.028 nan 8.180 nan 0.000 0.585 324 G N 0.704 109.632 108.800 0.214 0.000 2.522 324 G HA2 0.111 4.071 3.960 -0.000 0.000 0.304 324 G HA3 0.111 4.071 3.960 -0.000 0.000 0.304 324 G C 0.378 175.366 174.900 0.147 0.000 1.210 324 G CA -0.203 44.981 45.100 0.141 0.000 0.960 324 G HN 0.489 nan 8.290 nan 0.000 0.497 325 D N -0.798 119.685 120.400 0.138 0.000 2.133 325 D HA -0.200 4.439 4.640 -0.000 0.000 0.195 325 D C 2.010 178.397 176.300 0.144 0.000 0.997 325 D CA 1.884 55.974 54.000 0.151 0.000 0.840 325 D CB 0.111 41.002 40.800 0.152 0.000 0.947 325 D HN 0.440 nan 8.370 nan 0.000 0.452 326 E N 0.186 120.448 120.200 0.103 0.000 2.051 326 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 326 E C 2.088 178.724 176.600 0.060 0.000 0.991 326 E CA 1.411 57.868 56.400 0.095 0.000 0.799 326 E CB -0.393 29.345 29.700 0.062 0.000 0.748 326 E HN 0.456 nan 8.360 nan 0.000 0.449 327 Q N -0.377 119.374 119.800 -0.081 0.000 2.124 327 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 327 Q C 2.191 178.105 176.000 -0.143 0.000 0.977 327 Q CA 1.324 56.944 55.803 -0.305 0.000 0.850 327 Q CB -0.088 28.173 28.738 -0.795 0.000 0.901 327 Q HN 0.364 nan 8.270 nan 0.000 0.429 328 L N -0.376 120.911 121.223 0.107 0.000 2.056 328 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 328 L C 2.277 179.259 176.870 0.187 0.000 1.078 328 L CA 1.137 56.132 54.840 0.258 0.000 0.749 328 L CB -0.491 41.742 42.059 0.289 0.000 0.901 328 L HN 0.322 nan 8.230 nan 0.000 0.433 329 F N 0.565 120.565 119.950 0.082 0.000 2.102 329 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 329 F C 2.716 178.561 175.800 0.074 0.000 1.105 329 F CA 1.559 59.632 58.000 0.122 0.000 1.239 329 F CB -0.182 38.851 39.000 0.055 0.000 0.991 329 F HN 0.034 nan 8.300 nan 0.000 0.474 330 Q N -0.033 119.754 119.800 -0.022 0.000 2.079 330 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 330 Q C 2.235 178.145 176.000 -0.150 0.000 0.974 330 Q CA 2.166 57.881 55.803 -0.146 0.000 0.840 330 Q CB -1.094 27.639 28.738 -0.008 0.000 0.898 330 Q HN 0.428 nan 8.270 nan 0.000 0.430 331 T N 0.895 115.412 114.554 -0.061 0.000 2.821 331 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 331 T C 2.157 176.910 174.700 0.089 0.000 1.046 331 T CA 1.293 63.426 62.100 0.055 0.000 1.139 331 T CB -0.113 68.865 68.868 0.183 0.000 0.871 331 T HN 0.189 nan 8.240 nan 0.000 0.454 332 S N 1.096 116.788 115.700 -0.013 0.000 2.382 332 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 332 S C 2.064 176.662 174.600 -0.003 0.000 1.027 332 S CA 1.045 59.199 58.200 -0.076 0.000 0.991 332 S CB -0.245 62.703 63.200 -0.420 0.000 0.823 332 S HN 0.452 nan 8.310 nan 0.000 0.469 333 R N 1.026 121.424 120.500 -0.169 0.000 2.081 333 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 333 R C 2.109 178.443 176.300 0.057 0.000 1.131 333 R CA 1.155 57.134 56.100 -0.202 0.000 0.960 333 R CB -0.350 29.491 30.300 -0.765 0.000 0.856 333 R HN 0.353 nan 8.270 nan 0.000 0.436 334 L N 0.298 121.590 121.223 0.116 0.000 2.093 334 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 334 L C 2.422 179.559 176.870 0.446 0.000 1.085 334 L CA 1.074 56.106 54.840 0.321 0.000 0.755 334 L CB -0.347 41.922 42.059 0.351 0.000 0.904 334 L HN 0.265 nan 8.230 nan 0.000 0.435 335 I N -0.222 120.576 120.570 0.379 0.000 2.163 335 I HA -0.328 3.841 4.170 -0.000 0.000 0.243 335 I C 2.455 178.712 176.117 0.234 0.000 1.085 335 I CA 1.347 62.805 61.300 0.263 0.000 1.347 335 I CB -0.275 37.856 38.000 0.219 0.000 1.044 335 I HN 0.217 nan 8.210 nan 0.000 0.408 336 L N 0.311 121.695 121.223 0.268 0.000 2.083 336 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 336 L C 2.589 179.594 176.870 0.225 0.000 1.083 336 L CA 1.673 56.703 54.840 0.316 0.000 0.752 336 L CB -0.682 41.604 42.059 0.379 0.000 0.899 336 L HN 0.289 nan 8.230 nan 0.000 0.433 337 I N 0.187 120.888 120.570 0.218 0.000 2.163 337 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 337 I C 2.692 178.919 176.117 0.184 0.000 1.085 337 I CA 1.595 63.008 61.300 0.188 0.000 1.347 337 I CB -0.851 37.278 38.000 0.215 0.000 1.044 337 I HN 0.270 nan 8.210 nan 0.000 0.408 338 G N 0.184 109.126 108.800 0.237 0.000 2.459 338 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 338 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 338 G C 1.495 176.490 174.900 0.157 0.000 1.183 338 G CA 0.798 46.038 45.100 0.234 0.000 0.776 338 G HN 0.419 nan 8.290 nan 0.000 0.552 339 E N -0.256 120.062 120.200 0.196 0.000 2.070 339 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 339 E C 2.803 179.556 176.600 0.255 0.000 1.004 339 E CA 1.638 58.185 56.400 0.244 0.000 0.805 339 E CB -0.310 29.614 29.700 0.373 0.000 0.744 339 E HN 0.365 nan 8.360 nan 0.000 0.451 340 T N 1.368 116.066 114.554 0.240 0.000 2.652 340 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 340 T C 2.003 176.710 174.700 0.013 0.000 1.039 340 T CA 1.193 63.397 62.100 0.173 0.000 1.153 340 T CB -0.261 68.626 68.868 0.032 0.000 0.863 340 T HN 0.123 nan 8.240 nan 0.000 0.428 341 I N 0.823 121.330 120.570 -0.105 0.000 2.226 341 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 341 I C 2.575 178.376 176.117 -0.526 0.000 1.100 341 I CA 1.261 62.346 61.300 -0.358 0.000 1.374 341 I CB -0.338 37.333 38.000 -0.550 0.000 1.057 341 I HN 0.157 nan 8.210 nan 0.000 0.413 342 K N 1.876 121.999 120.400 -0.463 0.000 2.009 342 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 342 K C 1.881 178.473 176.600 -0.014 0.000 1.049 342 K CA 1.825 58.006 56.287 -0.176 0.000 0.929 342 K CB -0.443 32.127 32.500 0.116 0.000 0.714 342 K HN 0.248 nan 8.250 nan 0.000 0.440 343 I N 0.056 120.654 120.570 0.047 0.000 2.226 343 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 343 I C 2.104 178.266 176.117 0.076 0.000 1.100 343 I CA 0.974 62.332 61.300 0.097 0.000 1.374 343 I CB -0.229 37.886 38.000 0.191 0.000 1.057 343 I HN -0.009 nan 8.210 nan 0.000 0.413 344 V N 1.216 121.120 119.914 -0.015 0.000 2.287 344 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 344 V C 2.271 178.427 176.094 0.103 0.000 1.053 344 V CA 1.996 64.248 62.300 -0.079 0.000 1.027 344 V CB -0.385 31.198 31.823 -0.400 0.000 0.646 344 V HN 0.324 nan 8.190 nan 0.000 0.447 345 I N -0.441 120.155 120.570 0.044 0.000 2.193 345 I HA -0.177 3.993 4.170 -0.000 0.000 0.240 345 I C 2.423 178.616 176.117 0.126 0.000 1.084 345 I CA 1.637 62.998 61.300 0.102 0.000 1.365 345 I CB -0.353 37.695 38.000 0.080 0.000 1.064 345 I HN 0.328 nan 8.210 nan 0.000 0.410 346 E N 0.116 120.382 120.200 0.110 0.000 2.385 346 E HA -0.090 4.259 4.350 -0.000 0.000 0.194 346 E C 0.959 177.625 176.600 0.110 0.000 1.013 346 E CA 0.541 56.998 56.400 0.095 0.000 0.866 346 E CB 0.275 30.027 29.700 0.086 0.000 0.832 346 E HN 0.504 nan 8.360 nan 0.000 0.500 347 D N -0.667 119.839 120.400 0.176 0.000 2.716 347 D HA -0.044 4.596 4.640 -0.000 0.000 0.273 347 D C 1.504 178.080 176.300 0.461 0.000 1.024 347 D CA 0.272 54.433 54.000 0.268 0.000 0.944 347 D CB -0.202 40.729 40.800 0.219 0.000 1.186 347 D HN 0.067 nan 8.370 nan 0.000 0.485 348 Y N 2.260 122.708 120.300 0.247 0.000 2.130 348 Y HA -0.140 4.410 4.550 0.000 0.000 0.287 348 Y C 2.211 178.232 175.900 0.201 0.000 1.124 348 Y CA 1.388 59.538 58.100 0.084 0.000 1.118 348 Y CB -0.257 38.130 38.460 -0.122 0.000 0.994 348 Y HN -0.280 nan 8.280 nan 0.000 0.497 349 V N 0.602 120.718 119.914 0.338 0.000 2.427 349 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 349 V C 2.255 178.362 176.094 0.022 0.000 1.051 349 V CA 1.952 64.370 62.300 0.197 0.000 1.048 349 V CB -0.790 31.181 31.823 0.246 0.000 0.666 349 V HN 0.401 nan 8.190 nan 0.000 0.456 350 Q N 0.589 120.423 119.800 0.057 0.000 2.045 350 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 350 Q C 2.148 178.107 176.000 -0.069 0.000 0.991 350 Q CA 2.697 58.490 55.803 -0.016 0.000 0.851 350 Q CB -0.575 28.188 28.738 0.042 0.000 0.911 350 Q HN 0.836 nan 8.270 nan 0.000 0.418 351 H N -0.512 118.511 119.070 -0.079 0.000 2.290 351 H HA -0.090 4.466 4.556 0.000 0.000 0.298 351 H C 1.767 176.908 175.328 -0.311 0.000 1.087 351 H CA 2.154 58.105 56.048 -0.163 0.000 1.291 351 H CB -0.392 29.310 29.762 -0.100 0.000 1.369 351 H HN 0.331 nan 8.280 nan 0.000 0.492 352 L N 0.169 121.103 121.223 -0.482 0.000 2.079 352 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 352 L C 2.842 179.433 176.870 -0.464 0.000 1.081 352 L CA 1.526 56.036 54.840 -0.550 0.000 0.752 352 L CB -0.637 41.289 42.059 -0.222 0.000 0.896 352 L HN 0.522 nan 8.230 nan 0.000 0.433 353 S N -0.390 115.033 115.700 -0.461 0.000 2.368 353 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 353 S C 1.776 176.056 174.600 -0.532 0.000 1.029 353 S CA 0.900 58.664 58.200 -0.727 0.000 0.988 353 S CB -0.498 61.868 63.200 -1.390 0.000 0.838 353 S HN 0.558 nan 8.310 nan 0.000 0.462 354 G N -0.112 108.432 108.800 -0.428 0.000 2.155 354 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 354 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 354 G C -0.107 174.641 174.900 -0.253 0.000 0.983 354 G CA 0.438 45.353 45.100 -0.308 0.000 0.676 354 G HN 0.540 nan 8.290 nan 0.000 0.528 355 Y N 0.349 120.470 120.300 -0.299 0.000 2.480 355 Y HA 0.331 4.881 4.550 -0.000 0.000 0.338 355 Y C 1.829 177.504 175.900 -0.375 0.000 1.220 355 Y CA -0.572 57.305 58.100 -0.371 0.000 1.430 355 Y CB 0.400 38.723 38.460 -0.228 0.000 1.311 355 Y HN 0.227 nan 8.280 nan 0.000 0.575 356 H N 1.600 120.579 119.070 -0.152 0.000 2.482 356 H HA -0.065 4.490 4.556 -0.001 0.000 0.286 356 H C 0.344 175.607 175.328 -0.109 0.000 1.017 356 H CA 0.105 56.088 56.048 -0.109 0.000 1.322 356 H CB -0.090 29.673 29.762 0.001 0.000 1.426 356 H HN 0.486 nan 8.280 nan 0.000 0.546 357 F N 2.859 122.526 119.950 -0.471 0.000 2.538 357 F HA 0.104 4.631 4.527 -0.000 0.000 0.371 357 F C 0.764 176.530 175.800 -0.057 0.000 1.087 357 F CA -0.358 57.434 58.000 -0.346 0.000 1.250 357 F CB 0.472 38.985 39.000 -0.812 0.000 1.110 357 F HN -0.249 nan 8.300 nan 0.000 0.570 358 K N 8.171 128.125 120.400 -0.743 0.000 2.273 358 K HA 0.275 4.595 4.320 -0.000 0.000 0.287 358 K C -0.459 175.606 176.600 -0.891 0.000 1.089 358 K CA -0.450 55.495 56.287 -0.570 0.000 0.909 358 K CB 0.184 32.513 32.500 -0.286 0.000 1.123 358 K HN 0.723 nan 8.250 nan 0.000 0.473 359 L N 3.252 124.187 121.223 -0.480 0.000 2.499 359 L HA 0.076 4.416 4.340 -0.000 0.000 0.281 359 L C 0.466 177.269 176.870 -0.111 0.000 1.234 359 L CA 0.560 55.276 54.840 -0.206 0.000 0.839 359 L CB 0.211 42.292 42.059 0.037 0.000 1.104 359 L HN 0.527 nan 8.230 nan 0.000 0.500 360 K N 1.874 122.280 120.400 0.009 0.000 2.443 360 K HA 0.317 4.636 4.320 -0.000 0.000 0.252 360 K C -1.423 175.252 176.600 0.125 0.000 0.933 360 K CA -0.723 55.590 56.287 0.044 0.000 0.792 360 K CB 1.559 34.071 32.500 0.021 0.000 1.185 360 K HN 0.303 nan 8.250 nan 0.000 0.425 361 F N 4.610 124.546 119.950 -0.022 0.000 2.368 361 F HA 0.320 4.847 4.527 -0.001 0.000 0.362 361 F C -0.930 174.813 175.800 -0.095 0.000 1.137 361 F CA -0.725 57.243 58.000 -0.053 0.000 1.161 361 F CB 0.503 39.488 39.000 -0.025 0.000 1.265 361 F HN 0.451 nan 8.300 nan 0.000 0.530 362 D N 8.439 128.535 120.400 -0.507 0.000 2.323 362 D HA 0.325 4.965 4.640 -0.000 0.000 0.242 362 D C -2.194 173.683 176.300 -0.704 0.000 1.347 362 D CA -1.990 51.635 54.000 -0.625 0.000 0.988 362 D CB 1.904 42.537 40.800 -0.279 0.000 1.314 362 D HN 0.162 nan 8.370 nan 0.000 0.564 363 P HA -0.159 nan 4.420 nan 0.000 0.217 363 P C 0.933 177.589 177.300 -1.073 0.000 1.151 363 P CA 1.098 63.630 63.100 -0.947 0.000 0.849 363 P CB 0.364 31.252 31.700 -1.353 0.000 0.787 364 E N -0.608 118.914 120.200 -1.129 0.000 2.219 364 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 364 E C 1.830 178.026 176.600 -0.674 0.000 0.998 364 E CA 0.743 56.403 56.400 -1.233 0.000 0.818 364 E CB -0.611 28.840 29.700 -0.416 0.000 0.741 364 E HN 0.322 nan 8.360 nan 0.000 0.477 365 L N 0.308 121.271 121.223 -0.432 0.000 2.353 365 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 365 L C 1.969 178.742 176.870 -0.161 0.000 1.133 365 L CA 0.706 55.415 54.840 -0.217 0.000 0.798 365 L CB -0.172 41.789 42.059 -0.163 0.000 0.922 365 L HN 0.186 nan 8.230 nan 0.000 0.445 366 L N -2.138 118.955 121.223 -0.217 0.000 2.640 366 L HA 0.063 4.403 4.340 -0.000 0.000 0.230 366 L C 1.786 178.799 176.870 0.237 0.000 1.123 366 L CA -0.370 54.441 54.840 -0.049 0.000 0.900 366 L CB -0.026 41.926 42.059 -0.179 0.000 1.146 366 L HN 0.088 nan 8.230 nan 0.000 0.484 367 F N 1.329 121.333 119.950 0.091 0.000 2.293 367 F HA -0.110 4.417 4.527 0.000 0.000 0.300 367 F C 1.501 177.372 175.800 0.119 0.000 1.086 367 F CA 0.665 58.747 58.000 0.135 0.000 1.375 367 F CB -0.838 38.239 39.000 0.127 0.000 1.045 367 F HN 0.340 nan 8.300 nan 0.000 0.516 368 N N -0.954 117.910 118.700 0.272 0.000 2.321 368 N HA 0.072 4.812 4.740 -0.000 0.000 0.242 368 N C -0.112 175.483 175.510 0.142 0.000 1.141 368 N CA -0.145 53.014 53.050 0.182 0.000 0.864 368 N CB 0.162 38.737 38.487 0.147 0.000 1.100 368 N HN -0.013 nan 8.380 nan 0.000 0.510 369 Q N 0.428 120.322 119.800 0.155 0.000 2.297 369 Q HA 0.302 4.642 4.340 -0.000 0.000 0.269 369 Q C -0.471 175.616 176.000 0.144 0.000 1.051 369 Q CA -0.434 55.444 55.803 0.126 0.000 0.869 369 Q CB 1.294 30.091 28.738 0.098 0.000 1.346 369 Q HN 0.325 nan 8.270 nan 0.000 0.457 370 Q N 1.153 121.026 119.800 0.122 0.000 2.337 370 Q HA 0.471 4.811 4.340 -0.000 0.000 0.255 370 Q C -1.140 174.948 176.000 0.147 0.000 0.997 370 Q CA 0.009 55.876 55.803 0.106 0.000 0.925 370 Q CB 0.478 29.257 28.738 0.067 0.000 1.212 370 Q HN 0.360 nan 8.270 nan 0.000 0.436 371 F N 1.478 121.367 119.950 -0.102 0.000 2.608 371 F HA 0.234 4.761 4.527 -0.000 0.000 0.309 371 F C -1.341 174.252 175.800 -0.346 0.000 1.103 371 F CA -0.843 57.027 58.000 -0.217 0.000 0.954 371 F CB 1.875 40.713 39.000 -0.270 0.000 1.267 371 F HN 0.253 nan 8.300 nan 0.000 0.444 372 Q N 5.082 124.272 119.800 -1.016 0.000 2.331 372 Q HA 0.193 4.533 4.340 -0.000 0.000 0.257 372 Q C -1.317 174.236 176.000 -0.746 0.000 0.957 372 Q CA -0.389 55.009 55.803 -0.675 0.000 0.923 372 Q CB 1.046 29.524 28.738 -0.433 0.000 1.212 372 Q HN 0.624 nan 8.270 nan 0.000 0.443 373 Y N 2.983 123.234 120.300 -0.082 0.000 2.603 373 Y HA 0.077 4.627 4.550 -0.000 0.000 0.341 373 Y C 0.616 176.505 175.900 -0.019 0.000 1.272 373 Y CA -0.094 58.035 58.100 0.049 0.000 1.891 373 Y CB -0.055 38.492 38.460 0.145 0.000 1.910 373 Y HN 0.372 nan 8.280 nan 0.000 0.432 374 Q N -0.045 119.754 119.800 -0.002 0.000 2.578 374 Q HA 0.542 4.882 4.340 -0.000 0.000 0.284 374 Q C -1.969 173.994 176.000 -0.061 0.000 0.960 374 Q CA -1.212 54.580 55.803 -0.020 0.000 0.809 374 Q CB 2.113 30.826 28.738 -0.042 0.000 1.462 374 Q HN 0.281 nan 8.270 nan 0.000 0.392 375 N N -0.121 118.550 118.700 -0.049 0.000 2.331 375 N HA 0.638 5.378 4.740 -0.000 0.000 0.280 375 N C -2.122 173.335 175.510 -0.088 0.000 1.155 375 N CA -0.557 52.461 53.050 -0.052 0.000 0.822 375 N CB 2.408 40.885 38.487 -0.016 0.000 1.619 375 N HN 0.607 nan 8.380 nan 0.000 0.476 376 R N 2.747 123.191 120.500 -0.093 0.000 2.514 376 R HA 0.493 4.833 4.340 -0.000 0.000 0.296 376 R C -1.093 175.254 176.300 0.077 0.000 1.012 376 R CA -0.561 55.431 56.100 -0.179 0.000 0.897 376 R CB 0.560 30.675 30.300 -0.309 0.000 1.184 376 R HN 0.520 nan 8.270 nan 0.000 0.440 377 I N 3.592 124.396 120.570 0.389 0.000 2.598 377 I HA 0.188 4.358 4.170 -0.000 0.000 0.284 377 I C 0.597 176.906 176.117 0.319 0.000 1.140 377 I CA 0.046 61.570 61.300 0.374 0.000 1.420 377 I CB 0.405 38.699 38.000 0.490 0.000 1.387 377 I HN 0.706 nan 8.210 nan 0.000 0.553 378 A N 4.842 127.721 122.820 0.098 0.000 2.331 378 A HA 0.275 4.594 4.320 -0.000 0.000 0.283 378 A C 1.313 178.815 177.584 -0.138 0.000 1.142 378 A CA -0.167 51.828 52.037 -0.070 0.000 0.812 378 A CB 0.760 19.507 19.000 -0.422 0.000 1.074 378 A HN 0.812 nan 8.150 nan 0.000 0.497 379 S N 1.219 116.849 115.700 -0.116 0.000 2.374 379 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 379 S C 1.566 176.012 174.600 -0.256 0.000 1.037 379 S CA 2.463 60.502 58.200 -0.269 0.000 1.024 379 S CB -0.325 62.857 63.200 -0.029 0.000 0.861 379 S HN 0.798 nan 8.310 nan 0.000 0.456 380 E N -0.027 120.014 120.200 -0.265 0.000 2.208 380 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 380 E C 1.547 178.009 176.600 -0.231 0.000 0.988 380 E CA 0.692 56.926 56.400 -0.276 0.000 0.828 380 E CB -0.298 29.193 29.700 -0.348 0.000 0.763 380 E HN 0.569 nan 8.360 nan 0.000 0.478 381 F N 2.101 121.668 119.950 -0.639 0.000 2.102 381 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 381 F C 1.959 177.573 175.800 -0.310 0.000 1.105 381 F CA 1.258 58.986 58.000 -0.454 0.000 1.239 381 F CB -0.541 38.142 39.000 -0.528 0.000 0.991 381 F HN 0.014 nan 8.300 nan 0.000 0.474 382 N N 0.067 118.328 118.700 -0.731 0.000 2.043 382 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 382 N C 1.747 176.876 175.510 -0.635 0.000 1.037 382 N CA 2.514 54.701 53.050 -1.439 0.000 0.851 382 N CB -0.791 36.920 38.487 -1.292 0.000 1.027 382 N HN 0.298 nan 8.380 nan 0.000 0.422 383 T N 1.590 115.881 114.554 -0.439 0.000 2.684 383 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 383 T C 1.863 176.469 174.700 -0.156 0.000 1.036 383 T CA 1.638 63.479 62.100 -0.431 0.000 1.148 383 T CB -0.411 68.332 68.868 -0.207 0.000 0.863 383 T HN 0.448 nan 8.240 nan 0.000 0.436 384 L N -1.280 119.918 121.223 -0.041 0.000 2.362 384 L HA 0.154 4.493 4.340 -0.000 0.000 0.219 384 L C 1.817 178.749 176.870 0.103 0.000 1.134 384 L CA 1.400 56.288 54.840 0.080 0.000 0.807 384 L CB -1.050 41.059 42.059 0.082 0.000 0.927 384 L HN 0.171 nan 8.230 nan 0.000 0.447 385 Y N -0.237 119.945 120.300 -0.196 0.000 2.461 385 Y HA 0.183 4.734 4.550 0.000 0.000 0.277 385 Y C 0.855 176.442 175.900 -0.522 0.000 1.182 385 Y CA -0.238 57.476 58.100 -0.643 0.000 1.276 385 Y CB -0.072 38.006 38.460 -0.636 0.000 1.087 385 Y HN 0.293 nan 8.280 nan 0.000 0.519 386 H N 0.144 119.118 119.070 -0.160 0.000 3.220 386 H HA -0.073 4.483 4.556 -0.000 0.000 0.225 386 H C -0.539 174.686 175.328 -0.173 0.000 1.869 386 H CA -0.345 55.546 56.048 -0.262 0.000 1.428 386 H CB -0.421 29.213 29.762 -0.213 0.000 1.792 386 H HN 0.375 nan 8.280 nan 0.000 0.595 387 W N 1.669 122.928 121.300 -0.068 0.000 1.992 387 W HA 0.094 4.755 4.660 0.001 0.000 0.449 387 W C 0.716 177.268 176.519 0.054 0.000 0.617 387 W CA -0.885 56.488 57.345 0.048 0.000 2.341 387 W CB -1.455 28.125 29.460 0.201 0.000 1.156 387 W HN 0.641 nan 8.180 nan 0.000 0.538 388 H N 0.380 119.695 119.070 0.408 0.000 2.456 388 H HA -0.120 4.436 4.556 -0.000 0.000 0.296 388 H C -0.576 174.902 175.328 0.249 0.000 1.079 388 H CA 1.262 57.488 56.048 0.296 0.000 1.322 388 H CB -1.209 28.709 29.762 0.260 0.000 1.388 388 H HN 0.052 nan 8.280 nan 0.000 0.538 389 P HA -0.097 nan 4.420 nan 0.000 0.226 389 P C 1.054 178.470 177.300 0.193 0.000 1.153 389 P CA 0.871 64.096 63.100 0.209 0.000 0.777 389 P CB 0.049 31.819 31.700 0.117 0.000 0.794 390 L N -1.597 119.763 121.223 0.229 0.000 2.127 390 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 390 L C 1.149 178.136 176.870 0.194 0.000 1.089 390 L CA 0.678 55.643 54.840 0.209 0.000 0.757 390 L CB -0.728 41.497 42.059 0.277 0.000 0.899 390 L HN 0.014 nan 8.230 nan 0.000 0.434 391 L N 1.279 122.632 121.223 0.218 0.000 2.453 391 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 391 L C -1.763 175.184 176.870 0.128 0.000 1.182 391 L CA -1.591 53.352 54.840 0.171 0.000 0.858 391 L CB 0.115 42.394 42.059 0.368 0.000 1.120 391 L HN -0.108 nan 8.230 nan 0.000 0.474 392 P HA 0.094 nan 4.420 nan 0.000 0.279 392 P C -0.431 176.698 177.300 -0.286 0.000 1.282 392 P CA -0.413 62.459 63.100 -0.382 0.000 0.788 392 P CB 0.955 32.270 31.700 -0.640 0.000 1.139 393 D N -1.760 118.420 120.400 -0.367 0.000 2.234 393 D HA -0.004 4.635 4.640 -0.000 0.000 0.205 393 D C 0.698 176.911 176.300 -0.144 0.000 0.962 393 D CA 1.596 55.517 54.000 -0.131 0.000 0.855 393 D CB 0.111 40.819 40.800 -0.152 0.000 0.951 393 D HN 0.333 nan 8.370 nan 0.000 0.500 394 T N -0.867 113.442 114.554 -0.408 0.000 2.956 394 T HA 0.428 4.778 4.350 -0.000 0.000 0.312 394 T C -1.766 172.581 174.700 -0.589 0.000 1.151 394 T CA -0.706 61.179 62.100 -0.357 0.000 1.024 394 T CB 0.614 69.377 68.868 -0.175 0.000 1.140 394 T HN -0.270 nan 8.240 nan 0.000 0.473 395 F N 4.141 123.942 119.950 -0.248 0.000 2.371 395 F HA 0.457 4.984 4.527 0.000 0.000 0.363 395 F C 0.710 176.444 175.800 -0.111 0.000 1.122 395 F CA -0.984 56.828 58.000 -0.313 0.000 1.129 395 F CB 0.830 39.273 39.000 -0.928 0.000 1.173 395 F HN 0.376 nan 8.300 nan 0.000 0.489 396 N N 5.253 123.978 118.700 0.041 0.000 2.558 396 N HA 0.282 5.022 4.740 -0.000 0.000 0.233 396 N C -0.787 174.673 175.510 -0.082 0.000 1.038 396 N CA -0.202 52.831 53.050 -0.028 0.000 0.934 396 N CB 1.019 39.469 38.487 -0.060 0.000 1.175 396 N HN 0.302 nan 8.380 nan 0.000 0.512 397 I N 1.138 121.619 120.570 -0.148 0.000 2.355 397 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 397 I C 1.163 177.098 176.117 -0.302 0.000 0.999 397 I CA -0.294 60.775 61.300 -0.385 0.000 1.163 397 I CB 0.411 37.996 38.000 -0.692 0.000 1.316 397 I HN 0.614 nan 8.210 nan 0.000 0.454 398 E N 3.823 123.899 120.200 -0.208 0.000 3.211 398 E HA -0.319 4.031 4.350 -0.000 0.000 0.393 398 E C 0.210 176.785 176.600 -0.043 0.000 1.515 398 E CA 2.236 58.597 56.400 -0.066 0.000 1.385 398 E CB -0.494 29.239 29.700 0.056 0.000 1.616 398 E HN 0.853 nan 8.360 nan 0.000 0.489 399 D N 0.832 121.232 120.400 0.000 0.000 2.402 399 D HA 0.029 4.669 4.640 -0.000 0.000 0.216 399 D C -0.188 176.079 176.300 -0.055 0.000 1.128 399 D CA 0.150 54.138 54.000 -0.020 0.000 0.833 399 D CB 0.150 40.950 40.800 0.000 0.000 0.971 399 D HN 0.184 nan 8.370 nan 0.000 0.503 400 Q N 0.523 120.269 119.800 -0.092 0.000 2.226 400 Q HA 0.433 4.772 4.340 -0.000 0.000 0.256 400 Q C -0.507 175.304 176.000 -0.315 0.000 0.962 400 Q CA -0.329 55.326 55.803 -0.247 0.000 0.887 400 Q CB 2.013 30.534 28.738 -0.361 0.000 1.282 400 Q HN 0.217 nan 8.270 nan 0.000 0.449 401 E N 1.910 121.887 120.200 -0.372 0.000 2.518 401 E HA 0.243 4.593 4.350 -0.000 0.000 0.240 401 E C -1.269 175.215 176.600 -0.194 0.000 0.996 401 E CA -0.252 56.014 56.400 -0.223 0.000 0.768 401 E CB 0.843 30.465 29.700 -0.130 0.000 1.329 401 E HN 0.405 nan 8.360 nan 0.000 0.408 402 Y N 1.169 121.520 120.300 0.086 0.000 2.316 402 Y HA 0.077 4.627 4.550 -0.000 0.000 0.331 402 Y C 1.353 177.360 175.900 0.178 0.000 1.083 402 Y CA -0.470 57.732 58.100 0.171 0.000 1.206 402 Y CB 0.926 39.562 38.460 0.293 0.000 1.195 402 Y HN 0.329 nan 8.280 nan 0.000 0.497 403 S N 1.604 117.514 115.700 0.350 0.000 2.617 403 S HA 0.138 4.608 4.470 -0.000 0.000 0.259 403 S C 0.868 175.739 174.600 0.451 0.000 1.301 403 S CA -0.486 57.916 58.200 0.336 0.000 0.984 403 S CB 0.338 63.706 63.200 0.281 0.000 0.954 403 S HN 0.567 nan 8.310 nan 0.000 0.572 404 F N 1.050 121.208 119.950 0.346 0.000 2.095 404 F HA -0.019 4.507 4.527 -0.000 0.000 0.298 404 F C 2.702 178.696 175.800 0.323 0.000 1.104 404 F CA 1.854 60.093 58.000 0.398 0.000 1.232 404 F CB -0.333 38.848 39.000 0.301 0.000 0.987 404 F HN 0.587 nan 8.300 nan 0.000 0.475 405 K N 0.561 121.226 120.400 0.441 0.000 2.103 405 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 405 K C 1.924 178.699 176.600 0.291 0.000 1.048 405 K CA 1.778 58.254 56.287 0.316 0.000 0.930 405 K CB -0.332 32.312 32.500 0.240 0.000 0.716 405 K HN 0.405 nan 8.250 nan 0.000 0.444 406 Q N -1.310 118.683 119.800 0.321 0.000 2.137 406 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 406 Q C 1.943 178.102 176.000 0.265 0.000 0.960 406 Q CA 1.004 56.995 55.803 0.312 0.000 0.847 406 Q CB -0.047 28.947 28.738 0.426 0.000 0.915 406 Q HN 0.194 nan 8.270 nan 0.000 0.448 407 F N 1.029 121.030 119.950 0.085 0.000 2.187 407 F HA 0.025 4.552 4.527 0.000 0.000 0.295 407 F C 0.661 176.403 175.800 -0.098 0.000 1.091 407 F CA 0.465 58.399 58.000 -0.110 0.000 1.308 407 F CB 0.153 38.971 39.000 -0.303 0.000 1.030 407 F HN -0.100 nan 8.300 nan 0.000 0.487 408 L N 0.912 122.186 121.223 0.085 0.000 2.499 408 L HA -0.102 4.238 4.340 -0.000 0.000 0.273 408 L C 0.097 177.008 176.870 0.068 0.000 1.195 408 L CA 0.015 54.848 54.840 -0.012 0.000 0.882 408 L CB -0.388 41.749 42.059 0.131 0.000 1.133 408 L HN 0.344 nan 8.230 nan 0.000 0.483 409 Y N 0.860 121.158 120.300 -0.002 0.000 4.409 409 Y HA -0.276 4.274 4.550 -0.000 0.000 0.228 409 Y C 0.587 176.495 175.900 0.014 0.000 1.108 409 Y CA 0.489 58.619 58.100 0.050 0.000 1.955 409 Y CB -1.642 36.877 38.460 0.097 0.000 1.615 409 Y HN 0.677 nan 8.280 nan 0.000 0.665 410 N N 1.013 119.711 118.700 -0.002 0.000 2.800 410 N HA 0.230 4.969 4.740 -0.000 0.000 0.240 410 N C 0.421 175.855 175.510 -0.126 0.000 1.096 410 N CA -0.171 52.852 53.050 -0.046 0.000 0.877 410 N CB 0.244 38.687 38.487 -0.072 0.000 1.138 410 N HN 0.164 nan 8.380 nan 0.000 0.509 411 N N 0.262 118.938 118.700 -0.039 0.000 2.463 411 N HA -0.010 4.730 4.740 -0.000 0.000 0.181 411 N C 1.180 176.657 175.510 -0.055 0.000 1.078 411 N CA 0.304 53.339 53.050 -0.024 0.000 0.902 411 N CB 0.315 38.922 38.487 0.199 0.000 0.970 411 N HN 0.323 nan 8.380 nan 0.000 0.451 412 S N 1.285 116.950 115.700 -0.058 0.000 2.383 412 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 412 S C 1.981 176.556 174.600 -0.042 0.000 1.030 412 S CA 0.672 58.839 58.200 -0.057 0.000 1.002 412 S CB -0.141 63.037 63.200 -0.036 0.000 0.829 412 S HN 0.323 nan 8.310 nan 0.000 0.467 413 I N 0.779 121.324 120.570 -0.043 0.000 2.208 413 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 413 I C 2.283 178.530 176.117 0.216 0.000 1.097 413 I CA 0.872 62.217 61.300 0.074 0.000 1.363 413 I CB -0.324 37.606 38.000 -0.116 0.000 1.051 413 I HN 0.247 nan 8.210 nan 0.000 0.413 414 L N 0.618 121.783 121.223 -0.096 0.000 2.027 414 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 414 L C 2.270 178.993 176.870 -0.245 0.000 1.074 414 L CA 1.800 56.344 54.840 -0.492 0.000 0.745 414 L CB -0.413 41.257 42.059 -0.648 0.000 0.898 414 L HN 0.120 nan 8.230 nan 0.000 0.433 415 L N -0.810 120.298 121.223 -0.192 0.000 2.141 415 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 415 L C 2.519 179.351 176.870 -0.064 0.000 1.094 415 L CA 1.352 56.090 54.840 -0.171 0.000 0.763 415 L CB -0.527 41.414 42.059 -0.197 0.000 0.908 415 L HN 0.452 nan 8.230 nan 0.000 0.437 416 E N -0.664 119.505 120.200 -0.051 0.000 2.051 416 E HA -0.170 4.179 4.350 -0.000 0.000 0.189 416 E C 2.145 178.687 176.600 -0.097 0.000 0.979 416 E CA 0.721 57.065 56.400 -0.093 0.000 0.803 416 E CB 0.178 29.785 29.700 -0.154 0.000 0.761 416 E HN 0.545 nan 8.360 nan 0.000 0.451 417 H N -0.439 118.700 119.070 0.115 0.000 2.415 417 H HA 0.139 4.695 4.556 -0.000 0.000 0.297 417 H C 1.092 176.486 175.328 0.109 0.000 1.048 417 H CA 1.103 57.242 56.048 0.152 0.000 1.365 417 H CB 0.464 30.395 29.762 0.282 0.000 1.421 417 H HN 0.295 nan 8.280 nan 0.000 0.533 418 G N 0.056 108.962 108.800 0.176 0.000 2.699 418 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 418 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 418 G C 0.326 175.247 174.900 0.035 0.000 1.301 418 G CA -0.159 44.993 45.100 0.086 0.000 0.816 418 G HN 0.170 nan 8.290 nan 0.000 0.595 419 L N 0.776 121.967 121.223 -0.054 0.000 2.141 419 L HA 0.033 4.373 4.340 -0.000 0.000 0.209 419 L C 3.211 180.065 176.870 -0.027 0.000 1.094 419 L CA 3.041 57.819 54.840 -0.104 0.000 0.763 419 L CB -0.671 41.277 42.059 -0.185 0.000 0.908 419 L HN 0.835 nan 8.230 nan 0.000 0.437 420 T N -1.696 112.845 114.554 -0.021 0.000 2.708 420 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 420 T C 1.878 176.587 174.700 0.016 0.000 1.037 420 T CA 1.080 63.171 62.100 -0.016 0.000 1.146 420 T CB -0.148 68.708 68.868 -0.020 0.000 0.865 420 T HN 0.245 nan 8.240 nan 0.000 0.435 421 Q N -0.099 119.734 119.800 0.056 0.000 2.079 421 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 421 Q C 2.142 178.127 176.000 -0.025 0.000 0.974 421 Q CA 1.185 57.016 55.803 0.047 0.000 0.840 421 Q CB -0.553 28.257 28.738 0.119 0.000 0.898 421 Q HN 0.475 nan 8.270 nan 0.000 0.430 422 F N 0.197 120.010 119.950 -0.228 0.000 2.065 422 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 422 F C 2.503 178.073 175.800 -0.383 0.000 1.112 422 F CA 1.084 58.813 58.000 -0.452 0.000 1.212 422 F CB -0.781 37.996 39.000 -0.371 0.000 0.975 422 F HN -0.142 nan 8.300 nan 0.000 0.476 423 V N -0.216 119.703 119.914 0.008 0.000 2.287 423 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 423 V C 2.201 178.315 176.094 0.032 0.000 1.053 423 V CA 2.203 64.523 62.300 0.034 0.000 1.027 423 V CB -0.690 31.132 31.823 -0.001 0.000 0.646 423 V HN 0.325 nan 8.190 nan 0.000 0.447 424 E N 0.007 120.205 120.200 -0.002 0.000 2.085 424 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 424 E C 2.422 179.019 176.600 -0.004 0.000 0.994 424 E CA 1.694 58.100 56.400 0.011 0.000 0.801 424 E CB -0.200 29.504 29.700 0.008 0.000 0.743 424 E HN 0.536 nan 8.360 nan 0.000 0.453 425 S N 0.214 115.857 115.700 -0.094 0.000 2.357 425 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 425 S C 1.614 176.248 174.600 0.057 0.000 1.031 425 S CA 0.732 58.862 58.200 -0.117 0.000 0.982 425 S CB -0.192 62.805 63.200 -0.337 0.000 0.853 425 S HN 0.176 nan 8.310 nan 0.000 0.458 426 F N 2.430 122.385 119.950 0.009 0.000 2.234 426 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 426 F C 2.685 178.549 175.800 0.108 0.000 1.087 426 F CA 0.605 58.660 58.000 0.092 0.000 1.340 426 F CB -1.769 37.337 39.000 0.176 0.000 1.031 426 F HN 0.161 nan 8.300 nan 0.000 0.500 427 T N -0.348 114.362 114.554 0.261 0.000 2.788 427 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 427 T C 2.143 176.915 174.700 0.120 0.000 1.044 427 T CA 1.176 63.376 62.100 0.166 0.000 1.139 427 T CB -0.139 68.795 68.868 0.111 0.000 0.867 427 T HN 0.230 nan 8.240 nan 0.000 0.454 428 R N 0.678 121.241 120.500 0.105 0.000 2.119 428 R HA 0.122 4.462 4.340 -0.000 0.000 0.222 428 R C 1.473 177.816 176.300 0.072 0.000 1.088 428 R CA 0.360 56.500 56.100 0.066 0.000 0.984 428 R CB 0.034 30.357 30.300 0.038 0.000 0.884 428 R HN 0.404 nan 8.270 nan 0.000 0.447 429 Q N 1.803 121.669 119.800 0.109 0.000 2.295 429 Q HA 0.174 4.514 4.340 -0.000 0.000 0.259 429 Q C -0.618 175.429 176.000 0.079 0.000 0.976 429 Q CA -0.161 55.690 55.803 0.080 0.000 0.923 429 Q CB 0.848 29.645 28.738 0.098 0.000 1.185 429 Q HN 0.167 nan 8.270 nan 0.000 0.410 430 I N 3.006 123.615 120.570 0.066 0.000 2.696 430 I HA 0.250 4.420 4.170 -0.000 0.000 0.284 430 I C -0.170 176.040 176.117 0.155 0.000 1.129 430 I CA -0.010 61.352 61.300 0.103 0.000 1.410 430 I CB 0.844 38.914 38.000 0.118 0.000 1.399 430 I HN 0.813 nan 8.210 nan 0.000 0.579 431 A N 5.163 128.075 122.820 0.154 0.000 2.252 431 A HA 0.712 5.032 4.320 -0.000 0.000 0.305 431 A C 0.118 177.830 177.584 0.214 0.000 1.097 431 A CA -0.141 52.008 52.037 0.188 0.000 0.849 431 A CB 0.590 19.673 19.000 0.137 0.000 1.142 431 A HN 0.841 nan 8.150 nan 0.000 0.499 432 G N -0.489 108.424 108.800 0.189 0.000 2.448 432 G HA2 0.485 4.445 3.960 -0.000 0.000 0.285 432 G HA3 0.485 4.445 3.960 -0.000 0.000 0.285 432 G C 0.034 174.847 174.900 -0.145 0.000 1.176 432 G CA -0.648 44.396 45.100 -0.094 0.000 0.852 432 G HN 0.826 nan 8.290 nan 0.000 0.530 433 R N 1.031 121.380 120.500 -0.252 0.000 2.537 433 R HA 0.192 4.532 4.340 -0.000 0.000 0.280 433 R C 0.951 177.163 176.300 -0.147 0.000 1.058 433 R CA -0.433 55.532 56.100 -0.224 0.000 1.057 433 R CB 0.859 31.020 30.300 -0.232 0.000 0.973 433 R HN 0.271 nan 8.270 nan 0.000 0.438 434 V N 3.838 123.664 119.914 -0.147 0.000 2.331 434 V HA 0.002 4.122 4.120 -0.000 0.000 0.242 434 V C 1.138 177.213 176.094 -0.032 0.000 1.034 434 V CA 1.670 63.942 62.300 -0.046 0.000 1.027 434 V CB -0.504 31.309 31.823 -0.016 0.000 0.667 434 V HN 0.911 nan 8.190 nan 0.000 0.457 435 A N -0.577 122.224 122.820 -0.031 0.000 2.267 435 A HA 0.514 4.834 4.320 -0.000 0.000 0.271 435 A C 1.542 179.082 177.584 -0.072 0.000 1.131 435 A CA 0.548 52.560 52.037 -0.042 0.000 0.818 435 A CB -0.320 18.669 19.000 -0.018 0.000 1.118 435 A HN 1.432 nan 8.150 nan 0.000 0.501 436 G N -2.086 106.673 108.800 -0.069 0.000 2.175 436 G HA2 0.338 4.298 3.960 -0.000 0.000 0.244 436 G HA3 0.338 4.298 3.960 -0.000 0.000 0.244 436 G C 1.622 176.481 174.900 -0.068 0.000 0.982 436 G CA 0.637 45.693 45.100 -0.073 0.000 0.641 436 G HN 3.068 nan 8.290 nan 0.000 0.527 437 G N -0.622 108.140 108.800 -0.064 0.000 2.733 437 G HA2 0.280 4.240 3.960 -0.000 0.000 0.686 437 G HA3 0.280 4.240 3.960 -0.000 0.000 0.686 437 G C 0.245 175.117 174.900 -0.047 0.000 1.373 437 G CA 0.343 45.411 45.100 -0.053 0.000 0.838 437 G HN 1.781 nan 8.290 nan 0.000 0.588 438 R N -0.875 119.607 120.500 -0.031 0.000 3.188 438 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 438 R C 0.522 176.810 176.300 -0.020 0.000 0.918 438 R CA 1.065 57.153 56.100 -0.020 0.000 0.629 438 R CB -1.215 29.072 30.300 -0.023 0.000 1.087 438 R HN 0.710 nan 8.270 nan 0.000 0.462 439 N N -0.716 117.980 118.700 -0.006 0.000 2.167 439 N HA 0.095 4.835 4.740 -0.000 0.000 0.234 439 N C -0.942 174.607 175.510 0.065 0.000 1.312 439 N CA -0.030 53.020 53.050 0.001 0.000 0.861 439 N CB 1.211 39.662 38.487 -0.060 0.000 1.217 439 N HN 0.084 nan 8.380 nan 0.000 0.504 440 V N 3.602 123.563 119.914 0.077 0.000 2.427 440 V HA 0.333 4.453 4.120 -0.000 0.000 0.268 440 V C -1.976 174.161 176.094 0.071 0.000 1.046 440 V CA -1.356 61.013 62.300 0.115 0.000 0.970 440 V CB 0.969 32.867 31.823 0.124 0.000 1.001 440 V HN 0.122 nan 8.190 nan 0.000 0.476 441 P HA 0.114 nan 4.420 nan 0.000 0.267 441 P C 0.977 178.227 177.300 -0.084 0.000 1.205 441 P CA -0.062 63.039 63.100 0.001 0.000 0.765 441 P CB 0.920 32.609 31.700 -0.017 0.000 0.828 442 I N 3.458 123.984 120.570 -0.073 0.000 2.300 442 I HA -0.329 3.841 4.170 -0.000 0.000 0.252 442 I C 2.428 178.455 176.117 -0.150 0.000 1.119 442 I CA 2.141 63.391 61.300 -0.082 0.000 1.384 442 I CB -0.861 37.110 38.000 -0.048 0.000 1.062 442 I HN 0.417 nan 8.210 nan 0.000 0.426 443 A N -0.238 122.408 122.820 -0.290 0.000 2.024 443 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 443 A C 1.902 179.285 177.584 -0.335 0.000 1.164 443 A CA 1.875 53.658 52.037 -0.424 0.000 0.643 443 A CB -0.820 17.573 19.000 -1.012 0.000 0.806 443 A HN 0.405 nan 8.150 nan 0.000 0.451 444 V N -1.614 118.128 119.914 -0.287 0.000 3.043 444 V HA 0.136 4.256 4.120 -0.000 0.000 0.357 444 V C 1.403 177.412 176.094 -0.142 0.000 1.372 444 V CA 0.478 62.679 62.300 -0.165 0.000 1.214 444 V CB -0.855 30.904 31.823 -0.108 0.000 1.224 444 V HN 0.710 nan 8.190 nan 0.000 0.507 445 Q N 1.672 121.409 119.800 -0.105 0.000 2.124 445 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 445 Q C 2.052 178.017 176.000 -0.057 0.000 0.977 445 Q CA 2.281 58.044 55.803 -0.066 0.000 0.850 445 Q CB -0.530 28.183 28.738 -0.042 0.000 0.901 445 Q HN 0.609 nan 8.270 nan 0.000 0.429 446 A N 1.147 123.934 122.820 -0.054 0.000 1.933 446 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 446 A C 2.358 179.912 177.584 -0.050 0.000 1.175 446 A CA 1.490 53.504 52.037 -0.038 0.000 0.628 446 A CB -0.755 18.231 19.000 -0.024 0.000 0.814 446 A HN 0.262 nan 8.150 nan 0.000 0.444 447 V N -0.124 119.740 119.914 -0.084 0.000 2.295 447 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 447 V C 3.051 179.066 176.094 -0.132 0.000 1.049 447 V CA 1.979 64.216 62.300 -0.106 0.000 1.024 447 V CB -1.336 30.392 31.823 -0.159 0.000 0.648 447 V HN 0.604 nan 8.190 nan 0.000 0.447 448 A N -0.461 122.244 122.820 -0.192 0.000 1.933 448 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 448 A C 2.370 179.999 177.584 0.075 0.000 1.175 448 A CA 2.096 54.132 52.037 -0.002 0.000 0.628 448 A CB -0.489 18.551 19.000 0.067 0.000 0.814 448 A HN 0.497 nan 8.150 nan 0.000 0.444 449 K N -0.346 120.067 120.400 0.021 0.000 2.148 449 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 449 K C 2.080 178.670 176.600 -0.017 0.000 1.050 449 K CA 1.030 57.330 56.287 0.021 0.000 0.942 449 K CB -0.261 32.243 32.500 0.005 0.000 0.724 449 K HN 0.387 nan 8.250 nan 0.000 0.446 450 A N 0.419 123.215 122.820 -0.040 0.000 1.969 450 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 450 A C 2.091 179.598 177.584 -0.129 0.000 1.169 450 A CA 1.673 53.675 52.037 -0.058 0.000 0.635 450 A CB -0.329 18.651 19.000 -0.033 0.000 0.810 450 A HN 0.291 nan 8.150 nan 0.000 0.445 451 S N -0.135 115.437 115.700 -0.213 0.000 2.368 451 S HA -0.076 4.393 4.470 -0.000 0.000 0.224 451 S C 1.777 176.105 174.600 -0.453 0.000 1.029 451 S CA 1.395 59.280 58.200 -0.525 0.000 0.988 451 S CB -0.432 62.109 63.200 -1.099 0.000 0.838 451 S HN 0.576 nan 8.310 nan 0.000 0.462 452 I N 1.744 122.202 120.570 -0.187 0.000 2.163 452 I HA -0.177 3.993 4.170 -0.000 0.000 0.240 452 I C 2.074 178.143 176.117 -0.081 0.000 1.081 452 I CA 1.124 62.408 61.300 -0.026 0.000 1.353 452 I CB -0.467 37.601 38.000 0.113 0.000 1.054 452 I HN 0.133 nan 8.210 nan 0.000 0.407 453 D N 0.664 121.021 120.400 -0.072 0.000 2.123 453 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 453 D C 2.275 178.517 176.300 -0.097 0.000 0.992 453 D CA 1.398 55.362 54.000 -0.061 0.000 0.833 453 D CB -0.270 40.506 40.800 -0.040 0.000 0.954 453 D HN 0.454 nan 8.370 nan 0.000 0.455 454 Q N 0.070 119.780 119.800 -0.150 0.000 2.187 454 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 454 Q C 2.295 178.113 176.000 -0.304 0.000 0.957 454 Q CA 0.691 56.389 55.803 -0.175 0.000 0.857 454 Q CB 0.101 28.744 28.738 -0.159 0.000 0.929 454 Q HN 0.076 nan 8.270 nan 0.000 0.453 455 S N 0.772 116.196 115.700 -0.461 0.000 2.374 455 S HA -0.180 4.289 4.470 -0.000 0.000 0.227 455 S C 1.779 176.163 174.600 -0.360 0.000 1.037 455 S CA 1.250 58.993 58.200 -0.762 0.000 1.024 455 S CB -0.126 62.698 63.200 -0.627 0.000 0.861 455 S HN 0.323 nan 8.310 nan 0.000 0.456 456 R N 1.065 121.468 120.500 -0.161 0.000 2.073 456 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 456 R C 2.472 178.764 176.300 -0.012 0.000 1.120 456 R CA 1.479 57.556 56.100 -0.038 0.000 0.967 456 R CB -0.272 30.022 30.300 -0.011 0.000 0.862 456 R HN 0.683 nan 8.270 nan 0.000 0.436 457 E N 0.408 120.590 120.200 -0.030 0.000 2.274 457 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 457 E C 1.564 178.186 176.600 0.037 0.000 0.996 457 E CA 0.785 57.192 56.400 0.011 0.000 0.840 457 E CB -0.050 29.659 29.700 0.015 0.000 0.772 457 E HN 0.293 nan 8.360 nan 0.000 0.491 458 M N 0.813 120.418 119.600 0.009 0.000 2.561 458 M HA 0.087 4.567 4.480 -0.000 0.000 0.238 458 M C -0.309 176.096 176.300 0.175 0.000 1.131 458 M CA 0.277 55.629 55.300 0.087 0.000 1.046 458 M CB 0.227 32.874 32.600 0.078 0.000 1.532 458 M HN -0.087 nan 8.290 nan 0.000 0.497 459 K N -0.262 120.217 120.400 0.132 0.000 3.150 459 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 459 K C -1.257 175.496 176.600 0.254 0.000 1.028 459 K CA 0.587 56.962 56.287 0.147 0.000 0.753 459 K CB -2.749 29.808 32.500 0.094 0.000 1.288 459 K HN 0.274 nan 8.250 nan 0.000 0.473 460 Y N 1.578 121.922 120.300 0.073 0.000 2.712 460 Y HA -0.033 4.517 4.550 -0.000 0.000 0.333 460 Y C 1.827 177.824 175.900 0.162 0.000 1.225 460 Y CA 0.026 58.218 58.100 0.154 0.000 1.499 460 Y CB 0.368 38.911 38.460 0.138 0.000 1.288 460 Y HN 0.180 nan 8.280 nan 0.000 0.575 461 Q N 1.058 121.017 119.800 0.265 0.000 2.584 461 Q HA 0.165 4.505 4.340 -0.000 0.000 0.218 461 Q C 0.380 176.535 176.000 0.258 0.000 1.079 461 Q CA -0.114 55.755 55.803 0.110 0.000 1.008 461 Q CB 0.437 29.064 28.738 -0.184 0.000 1.267 461 Q HN 0.806 nan 8.270 nan 0.000 0.586 462 S N -0.291 115.489 115.700 0.133 0.000 2.624 462 S HA 0.043 4.513 4.470 -0.000 0.000 0.263 462 S C 0.912 175.654 174.600 0.237 0.000 1.287 462 S CA -0.604 57.693 58.200 0.162 0.000 0.990 462 S CB 0.586 63.830 63.200 0.073 0.000 0.950 462 S HN 0.654 nan 8.310 nan 0.000 0.561 463 L N 1.394 122.726 121.223 0.181 0.000 2.013 463 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 463 L C 1.998 178.953 176.870 0.141 0.000 1.073 463 L CA 2.127 57.073 54.840 0.176 0.000 0.753 463 L CB -1.300 40.816 42.059 0.095 0.000 0.890 463 L HN 0.740 nan 8.230 nan 0.000 0.432 464 N N -0.198 118.540 118.700 0.064 0.000 2.223 464 N HA -0.161 4.578 4.740 -0.000 0.000 0.185 464 N C 1.742 177.246 175.510 -0.010 0.000 1.016 464 N CA 1.291 54.347 53.050 0.010 0.000 0.863 464 N CB -0.247 38.226 38.487 -0.024 0.000 0.983 464 N HN 0.490 nan 8.380 nan 0.000 0.429 465 E N -0.059 120.126 120.200 -0.025 0.000 2.077 465 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 465 E C 1.840 178.362 176.600 -0.130 0.000 0.989 465 E CA 0.887 57.215 56.400 -0.121 0.000 0.800 465 E CB -0.516 29.060 29.700 -0.208 0.000 0.746 465 E HN 0.552 nan 8.360 nan 0.000 0.452 466 Y N 0.927 121.251 120.300 0.040 0.000 2.293 466 Y HA -0.090 4.460 4.550 -0.001 0.000 0.291 466 Y C 2.616 178.610 175.900 0.157 0.000 1.137 466 Y CA 1.072 59.242 58.100 0.116 0.000 1.202 466 Y CB 0.019 38.529 38.460 0.082 0.000 0.990 466 Y HN -0.030 nan 8.280 nan 0.000 0.537 467 R N 0.122 120.731 120.500 0.182 0.000 2.075 467 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 467 R C 2.040 178.378 176.300 0.063 0.000 1.126 467 R CA 1.570 57.721 56.100 0.084 0.000 0.963 467 R CB -0.195 30.076 30.300 -0.049 0.000 0.858 467 R HN 0.247 nan 8.270 nan 0.000 0.435 468 K N -0.041 120.364 120.400 0.008 0.000 2.155 468 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 468 K C 2.037 178.611 176.600 -0.043 0.000 1.052 468 K CA 0.959 57.223 56.287 -0.038 0.000 0.948 468 K CB -0.033 32.418 32.500 -0.082 0.000 0.728 468 K HN -0.099 nan 8.250 nan 0.000 0.448 469 R N 0.439 120.918 120.500 -0.034 0.000 2.127 469 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 469 R C 0.647 176.784 176.300 -0.272 0.000 1.134 469 R CA 1.519 57.538 56.100 -0.136 0.000 0.975 469 R CB -0.271 29.958 30.300 -0.119 0.000 0.865 469 R HN 0.091 nan 8.270 nan 0.000 0.447 470 F N 0.472 120.388 119.950 -0.056 0.000 2.730 470 F HA 0.320 4.847 4.527 -0.001 0.000 0.295 470 F C 0.391 176.153 175.800 -0.064 0.000 1.143 470 F CA -0.006 57.942 58.000 -0.087 0.000 1.367 470 F CB 0.296 39.242 39.000 -0.089 0.000 0.970 470 F HN -0.083 nan 8.300 nan 0.000 0.514 471 S N 0.739 116.468 115.700 0.050 0.000 3.635 471 S HA -0.188 4.282 4.470 -0.000 0.000 0.328 471 S C -0.111 174.515 174.600 0.044 0.000 1.135 471 S CA 0.253 58.487 58.200 0.057 0.000 0.942 471 S CB -2.005 61.266 63.200 0.119 0.000 0.930 471 S HN 0.288 nan 8.310 nan 0.000 0.512 472 L N 0.128 121.363 121.223 0.020 0.000 2.334 472 L HA 0.682 5.022 4.340 -0.000 0.000 0.276 472 L C 0.583 177.404 176.870 -0.081 0.000 1.014 472 L CA -0.859 53.961 54.840 -0.035 0.000 0.815 472 L CB 0.971 42.994 42.059 -0.061 0.000 1.268 472 L HN 0.166 nan 8.230 nan 0.000 0.428 473 K N 3.083 123.419 120.400 -0.106 0.000 2.451 473 K HA 0.282 4.602 4.320 -0.000 0.000 0.280 473 K C -2.417 174.058 176.600 -0.207 0.000 1.020 473 K CA -1.182 55.030 56.287 -0.124 0.000 1.008 473 K CB -1.035 31.405 32.500 -0.100 0.000 0.917 473 K HN 0.417 nan 8.250 nan 0.000 0.478 474 P HA 0.050 nan 4.420 nan 0.000 0.269 474 P C -0.835 176.364 177.300 -0.168 0.000 1.209 474 P CA -0.231 62.769 63.100 -0.167 0.000 0.776 474 P CB 0.161 31.807 31.700 -0.091 0.000 0.876 475 Y N 0.878 121.130 120.300 -0.080 0.000 2.526 475 Y HA 0.026 4.575 4.550 -0.002 0.000 0.330 475 Y C 2.156 177.978 175.900 -0.130 0.000 1.156 475 Y CA 0.630 58.667 58.100 -0.105 0.000 1.419 475 Y CB -0.048 38.329 38.460 -0.137 0.000 1.250 475 Y HN 0.398 nan 8.280 nan 0.000 0.540 476 T N -2.254 112.346 114.554 0.077 0.000 3.065 476 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 476 T C 0.282 174.954 174.700 -0.046 0.000 1.099 476 T CA 0.430 62.529 62.100 -0.002 0.000 1.063 476 T CB -0.159 68.714 68.868 0.009 0.000 0.948 476 T HN 0.506 nan 8.240 nan 0.000 0.506 477 S N -0.993 114.662 115.700 -0.074 0.000 2.565 477 S HA 0.563 5.032 4.470 -0.000 0.000 0.269 477 S C -0.178 174.296 174.600 -0.210 0.000 1.153 477 S CA -0.947 57.181 58.200 -0.120 0.000 0.835 477 S CB 0.291 63.488 63.200 -0.005 0.000 1.122 477 S HN -0.081 nan 8.310 nan 0.000 0.462 478 F N 1.111 121.027 119.950 -0.057 0.000 2.234 478 F HA 0.089 4.616 4.527 -0.001 0.000 0.299 478 F C 2.551 178.271 175.800 -0.133 0.000 1.087 478 F CA 1.501 59.437 58.000 -0.107 0.000 1.340 478 F CB -0.347 38.616 39.000 -0.062 0.000 1.031 478 F HN 0.717 nan 8.300 nan 0.000 0.500 479 E N -0.086 120.164 120.200 0.084 0.000 2.153 479 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 479 E C 2.124 178.693 176.600 -0.052 0.000 0.988 479 E CA 0.969 57.378 56.400 0.014 0.000 0.811 479 E CB -0.177 29.539 29.700 0.028 0.000 0.746 479 E HN 0.494 nan 8.360 nan 0.000 0.466 480 E N 0.518 120.671 120.200 -0.078 0.000 2.106 480 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 480 E C 2.179 178.569 176.600 -0.350 0.000 0.984 480 E CA 0.442 56.788 56.400 -0.090 0.000 0.806 480 E CB 0.079 29.804 29.700 0.042 0.000 0.750 480 E HN 0.109 nan 8.360 nan 0.000 0.458 481 L N 0.707 121.539 121.223 -0.651 0.000 2.017 481 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 481 L C 2.460 179.059 176.870 -0.452 0.000 1.073 481 L CA 2.625 56.846 54.840 -1.032 0.000 0.745 481 L CB -0.827 40.776 42.059 -0.760 0.000 0.894 481 L HN 0.179 nan 8.230 nan 0.000 0.432 482 T N -3.920 110.494 114.554 -0.232 0.000 3.035 482 T HA 0.241 4.590 4.350 -0.000 0.000 0.259 482 T C 1.532 176.179 174.700 -0.089 0.000 1.078 482 T CA 0.407 62.432 62.100 -0.125 0.000 1.132 482 T CB -0.538 68.290 68.868 -0.068 0.000 0.900 482 T HN 0.767 nan 8.240 nan 0.000 0.480 483 G N 1.493 110.244 108.800 -0.081 0.000 2.198 483 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 483 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 483 G C -0.215 174.668 174.900 -0.030 0.000 1.025 483 G CA 0.549 45.624 45.100 -0.042 0.000 0.769 483 G HN 0.962 nan 8.290 nan 0.000 0.507 484 E N -1.708 118.474 120.200 -0.029 0.000 2.423 484 E HA 0.487 4.837 4.350 -0.000 0.000 0.280 484 E C 0.413 177.004 176.600 -0.015 0.000 1.030 484 E CA -0.348 56.039 56.400 -0.022 0.000 0.812 484 E CB 0.661 30.343 29.700 -0.029 0.000 1.313 484 E HN 0.005 nan 8.360 nan 0.000 0.456 485 K N 0.869 121.262 120.400 -0.012 0.000 2.244 485 K HA 0.074 4.394 4.320 -0.000 0.000 0.200 485 K C 1.714 178.306 176.600 -0.012 0.000 1.052 485 K CA 1.260 57.543 56.287 -0.007 0.000 0.980 485 K CB -0.024 32.473 32.500 -0.005 0.000 0.838 485 K HN 0.576 nan 8.250 nan 0.000 0.481 486 E N 0.454 120.643 120.200 -0.018 0.000 2.028 486 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 486 E C 2.080 178.662 176.600 -0.030 0.000 0.984 486 E CA 1.302 57.688 56.400 -0.023 0.000 0.800 486 E CB -0.059 29.628 29.700 -0.022 0.000 0.758 486 E HN 0.276 nan 8.360 nan 0.000 0.448 487 M N 0.163 119.745 119.600 -0.030 0.000 2.175 487 M HA -0.085 4.394 4.480 -0.000 0.000 0.264 487 M C 2.419 178.693 176.300 -0.044 0.000 1.063 487 M CA 1.203 56.482 55.300 -0.035 0.000 1.119 487 M CB -0.093 32.488 32.600 -0.032 0.000 1.377 487 M HN 0.210 nan 8.290 nan 0.000 0.415 488 A N 0.568 123.373 122.820 -0.025 0.000 1.908 488 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 488 A C 2.348 179.884 177.584 -0.080 0.000 1.181 488 A CA 2.039 54.076 52.037 -0.001 0.000 0.627 488 A CB -0.933 18.099 19.000 0.052 0.000 0.818 488 A HN 0.503 nan 8.150 nan 0.000 0.445 489 A N -0.617 122.167 122.820 -0.059 0.000 1.902 489 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 489 A C 1.954 179.467 177.584 -0.118 0.000 1.181 489 A CA 2.075 54.067 52.037 -0.074 0.000 0.623 489 A CB -0.496 18.479 19.000 -0.041 0.000 0.818 489 A HN 0.527 nan 8.150 nan 0.000 0.443 490 E N -0.098 120.041 120.200 -0.102 0.000 2.077 490 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 490 E C 1.869 178.378 176.600 -0.151 0.000 0.989 490 E CA 1.183 57.523 56.400 -0.100 0.000 0.800 490 E CB -0.292 29.370 29.700 -0.064 0.000 0.746 490 E HN 0.621 nan 8.360 nan 0.000 0.452 491 L N 0.062 121.153 121.223 -0.220 0.000 2.141 491 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 491 L C 2.315 178.729 176.870 -0.759 0.000 1.094 491 L CA 0.963 55.602 54.840 -0.334 0.000 0.763 491 L CB -0.310 41.549 42.059 -0.333 0.000 0.908 491 L HN 0.044 nan 8.230 nan 0.000 0.437 492 K N 0.911 120.801 120.400 -0.850 0.000 2.057 492 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 492 K C 2.044 178.478 176.600 -0.276 0.000 1.049 492 K CA 1.654 57.541 56.287 -0.668 0.000 0.931 492 K CB -0.321 32.022 32.500 -0.262 0.000 0.714 492 K HN 0.207 nan 8.250 nan 0.000 0.440 493 A N 0.182 122.884 122.820 -0.197 0.000 1.969 493 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 493 A C 2.129 179.642 177.584 -0.119 0.000 1.169 493 A CA 1.356 53.323 52.037 -0.115 0.000 0.635 493 A CB -0.474 18.471 19.000 -0.092 0.000 0.810 493 A HN 0.314 nan 8.150 nan 0.000 0.445 494 L N -2.934 118.196 121.223 -0.155 0.000 2.127 494 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 494 L C 2.202 178.901 176.870 -0.284 0.000 1.080 494 L CA 1.045 55.750 54.840 -0.225 0.000 0.768 494 L CB -0.283 41.617 42.059 -0.266 0.000 0.924 494 L HN 0.462 nan 8.230 nan 0.000 0.444 495 Y N -1.632 118.609 120.300 -0.099 0.000 2.507 495 Y HA 0.067 4.617 4.550 0.000 0.000 0.263 495 Y C 1.947 177.905 175.900 0.098 0.000 1.093 495 Y CA 0.429 58.553 58.100 0.039 0.000 1.285 495 Y CB 0.565 39.130 38.460 0.175 0.000 1.115 495 Y HN 0.070 nan 8.280 nan 0.000 0.533 496 S N -1.043 114.767 115.700 0.184 0.000 1.703 496 S HA -0.264 4.206 4.470 -0.000 0.000 0.232 496 S C -0.086 174.703 174.600 0.314 0.000 0.865 496 S CA 1.746 60.053 58.200 0.178 0.000 1.462 496 S CB -1.131 62.139 63.200 0.116 0.000 1.879 496 S HN 0.524 nan 8.310 nan 0.000 0.532 497 D N -0.003 120.622 120.400 0.375 0.000 2.629 497 D HA 0.574 5.213 4.640 -0.000 0.000 0.250 497 D C 0.582 177.002 176.300 0.199 0.000 1.126 497 D CA -0.541 53.618 54.000 0.265 0.000 0.852 497 D CB 1.447 42.335 40.800 0.146 0.000 1.335 497 D HN 0.086 nan 8.370 nan 0.000 0.518 498 I N 2.823 123.282 120.570 -0.185 0.000 2.335 498 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 498 I C 1.122 177.080 176.117 -0.266 0.000 1.129 498 I CA 1.533 62.425 61.300 -0.679 0.000 1.402 498 I CB 0.051 37.629 38.000 -0.703 0.000 1.069 498 I HN 0.350 nan 8.210 nan 0.000 0.424 499 D N -0.364 119.974 120.400 -0.104 0.000 2.363 499 D HA -0.003 4.636 4.640 -0.000 0.000 0.226 499 D C 1.810 178.112 176.300 0.004 0.000 1.020 499 D CA 1.219 55.192 54.000 -0.045 0.000 0.892 499 D CB 0.148 40.931 40.800 -0.028 0.000 0.900 499 D HN 0.459 nan 8.370 nan 0.000 0.531 500 V N -2.438 117.505 119.914 0.049 0.000 3.380 500 V HA 0.286 4.406 4.120 -0.000 0.000 0.307 500 V C 0.578 176.729 176.094 0.094 0.000 1.434 500 V CA -0.592 61.774 62.300 0.110 0.000 1.075 500 V CB -0.214 31.714 31.823 0.175 0.000 0.954 500 V HN -0.140 nan 8.190 nan 0.000 0.444 501 M N 2.616 122.183 119.600 -0.055 0.000 2.260 501 M HA 0.252 4.732 4.480 -0.000 0.000 0.348 501 M C 0.226 176.427 176.300 -0.165 0.000 1.342 501 M CA 0.307 55.414 55.300 -0.322 0.000 1.040 501 M CB -0.440 32.019 32.600 -0.235 0.000 1.810 501 M HN 0.498 nan 8.290 nan 0.000 0.453 502 E N 3.377 123.454 120.200 -0.205 0.000 2.373 502 E HA 0.047 4.396 4.350 -0.000 0.000 0.263 502 E C 0.665 177.291 176.600 0.043 0.000 1.073 502 E CA -0.399 56.024 56.400 0.039 0.000 0.894 502 E CB 0.878 30.670 29.700 0.153 0.000 1.008 502 E HN 0.805 nan 8.360 nan 0.000 0.420 503 L N 3.676 124.971 121.223 0.120 0.000 2.005 503 L HA -0.202 4.137 4.340 -0.000 0.000 0.207 503 L C 2.081 178.994 176.870 0.071 0.000 1.072 503 L CA 1.788 56.679 54.840 0.086 0.000 0.744 503 L CB -0.637 41.448 42.059 0.044 0.000 0.895 503 L HN 0.702 nan 8.230 nan 0.000 0.433 504 Y N 1.218 121.515 120.300 -0.006 0.000 2.097 504 Y HA -0.119 4.431 4.550 0.000 0.000 0.282 504 Y C -0.620 175.287 175.900 0.012 0.000 1.152 504 Y CA 1.959 60.046 58.100 -0.023 0.000 1.136 504 Y CB -1.904 36.514 38.460 -0.070 0.000 0.975 504 Y HN 0.252 nan 8.280 nan 0.000 0.498 505 P HA -0.109 nan 4.420 nan 0.000 0.218 505 P C 1.448 178.637 177.300 -0.185 0.000 1.149 505 P CA 2.255 65.202 63.100 -0.256 0.000 0.817 505 P CB -0.364 31.327 31.700 -0.016 0.000 0.785 506 A N -0.218 122.533 122.820 -0.114 0.000 1.908 506 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 506 A C 2.185 179.716 177.584 -0.088 0.000 1.181 506 A CA 1.481 53.468 52.037 -0.083 0.000 0.627 506 A CB -1.716 17.261 19.000 -0.037 0.000 0.818 506 A HN 0.135 nan 8.150 nan 0.000 0.445 507 L N -0.709 120.450 121.223 -0.108 0.000 2.131 507 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 507 L C 2.254 179.054 176.870 -0.117 0.000 1.092 507 L CA 0.873 55.654 54.840 -0.100 0.000 0.759 507 L CB -0.363 41.646 42.059 -0.084 0.000 0.903 507 L HN 0.375 nan 8.230 nan 0.000 0.435 508 L N -0.768 120.348 121.223 -0.178 0.000 2.446 508 L HA -0.017 4.322 4.340 -0.000 0.000 0.219 508 L C 2.000 178.811 176.870 -0.099 0.000 1.116 508 L CA 0.405 55.161 54.840 -0.141 0.000 0.844 508 L CB -0.130 41.808 42.059 -0.202 0.000 0.970 508 L HN 0.248 nan 8.230 nan 0.000 0.457 509 V N -4.375 115.480 119.914 -0.099 0.000 3.578 509 V HA 0.176 4.295 4.120 -0.000 0.000 0.290 509 V C 0.884 176.929 176.094 -0.081 0.000 1.376 509 V CA -0.335 61.918 62.300 -0.078 0.000 1.083 509 V CB -0.070 31.714 31.823 -0.065 0.000 0.911 509 V HN 0.215 nan 8.190 nan 0.000 0.433 510 E N 2.337 122.489 120.200 -0.080 0.000 2.413 510 E HA 0.074 4.424 4.350 -0.000 0.000 0.263 510 E C 0.251 176.812 176.600 -0.066 0.000 1.015 510 E CA -0.330 56.022 56.400 -0.080 0.000 0.916 510 E CB 0.581 30.261 29.700 -0.034 0.000 0.947 510 E HN 0.523 nan 8.360 nan 0.000 0.440 511 K N 5.392 125.749 120.400 -0.073 0.000 2.437 511 K HA 0.043 4.363 4.320 -0.000 0.000 0.277 511 K C -2.314 174.268 176.600 -0.029 0.000 1.073 511 K CA -1.044 55.214 56.287 -0.047 0.000 1.105 511 K CB 0.314 32.792 32.500 -0.037 0.000 0.881 511 K HN 0.180 nan 8.250 nan 0.000 0.475 512 P HA 0.143 nan 4.420 nan 0.000 0.274 512 P C -0.783 176.492 177.300 -0.041 0.000 1.231 512 P CA -0.508 62.563 63.100 -0.049 0.000 0.790 512 P CB 0.650 32.304 31.700 -0.077 0.000 0.951 513 R N 2.709 123.172 120.500 -0.061 0.000 2.811 513 R HA 0.129 4.469 4.340 -0.000 0.000 0.265 513 R C -1.933 174.362 176.300 -0.009 0.000 1.026 513 R CA -0.947 55.124 56.100 -0.049 0.000 1.142 513 R CB -1.395 28.804 30.300 -0.168 0.000 1.027 513 R HN 0.394 nan 8.270 nan 0.000 0.465 514 P HA -0.039 nan 4.420 nan 0.000 0.260 514 P C -0.950 176.346 177.300 -0.007 0.000 1.207 514 P CA 0.664 63.787 63.100 0.038 0.000 0.780 514 P CB 0.302 32.059 31.700 0.095 0.000 0.789 515 D N 0.078 120.450 120.400 -0.045 0.000 2.945 515 D HA -0.186 4.454 4.640 -0.000 0.000 0.225 515 D C 0.143 176.365 176.300 -0.131 0.000 1.158 515 D CA 1.423 55.372 54.000 -0.085 0.000 0.805 515 D CB -1.236 39.515 40.800 -0.081 0.000 1.098 515 D HN 0.481 nan 8.370 nan 0.000 0.426 516 A N -0.096 122.642 122.820 -0.136 0.000 2.311 516 A HA 0.690 5.010 4.320 -0.000 0.000 0.334 516 A C 1.231 178.646 177.584 -0.282 0.000 1.139 516 A CA -0.498 51.413 52.037 -0.210 0.000 0.830 516 A CB 1.243 20.148 19.000 -0.158 0.000 1.234 516 A HN 0.113 nan 8.150 nan 0.000 0.483 517 I N -0.401 119.890 120.570 -0.465 0.000 2.439 517 I HA 0.040 4.210 4.170 -0.000 0.000 0.251 517 I C -0.527 175.304 176.117 -0.477 0.000 1.139 517 I CA 0.892 61.828 61.300 -0.606 0.000 1.438 517 I CB -0.080 37.328 38.000 -0.987 0.000 1.085 517 I HN 0.491 nan 8.210 nan 0.000 0.427 518 F N -0.344 119.432 119.950 -0.290 0.000 2.556 518 F HA 0.604 5.131 4.527 -0.001 0.000 0.327 518 F C 0.816 176.497 175.800 -0.199 0.000 1.059 518 F CA -1.343 56.495 58.000 -0.269 0.000 0.953 518 F CB 0.716 39.538 39.000 -0.296 0.000 1.227 518 F HN -0.238 nan 8.300 nan 0.000 0.478 519 G N -0.263 108.575 108.800 0.064 0.000 2.557 519 G HA2 0.254 4.214 3.960 -0.000 0.000 0.302 519 G HA3 0.254 4.214 3.960 -0.000 0.000 0.302 519 G C 0.595 175.485 174.900 -0.017 0.000 1.311 519 G CA -0.324 44.777 45.100 0.002 0.000 1.030 519 G HN 0.700 nan 8.290 nan 0.000 0.509 520 E N -1.084 119.113 120.200 -0.006 0.000 2.077 520 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 520 E C 2.276 178.854 176.600 -0.037 0.000 0.989 520 E CA 1.689 58.075 56.400 -0.023 0.000 0.800 520 E CB -0.200 29.500 29.700 -0.001 0.000 0.746 520 E HN 0.445 nan 8.360 nan 0.000 0.452 521 T N 1.206 115.749 114.554 -0.019 0.000 2.746 521 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 521 T C 1.743 176.375 174.700 -0.113 0.000 1.039 521 T CA 1.646 63.715 62.100 -0.053 0.000 1.142 521 T CB -0.262 68.607 68.868 0.002 0.000 0.866 521 T HN 0.178 nan 8.240 nan 0.000 0.444 522 M N 1.332 120.851 119.600 -0.136 0.000 2.080 522 M HA -0.069 4.411 4.480 -0.000 0.000 0.260 522 M C 2.116 178.288 176.300 -0.213 0.000 1.068 522 M CA 1.519 56.674 55.300 -0.242 0.000 1.109 522 M CB -0.657 31.647 32.600 -0.492 0.000 1.342 522 M HN 0.079 nan 8.290 nan 0.000 0.405 523 V N 0.218 120.044 119.914 -0.146 0.000 2.307 523 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 523 V C 2.398 178.463 176.094 -0.048 0.000 1.045 523 V CA 1.851 64.120 62.300 -0.051 0.000 1.024 523 V CB -1.019 30.809 31.823 0.008 0.000 0.651 523 V HN 0.425 nan 8.190 nan 0.000 0.449 524 E N -0.151 120.004 120.200 -0.075 0.000 2.204 524 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 524 E C 2.025 178.478 176.600 -0.244 0.000 0.989 524 E CA 0.923 57.271 56.400 -0.086 0.000 0.824 524 E CB -0.129 29.544 29.700 -0.044 0.000 0.756 524 E HN 0.409 nan 8.360 nan 0.000 0.477 525 L N -0.325 120.667 121.223 -0.386 0.000 2.168 525 L HA 0.090 4.430 4.340 -0.000 0.000 0.203 525 L C 2.327 178.987 176.870 -0.350 0.000 1.078 525 L CA 1.490 55.871 54.840 -0.765 0.000 0.780 525 L CB -0.914 40.782 42.059 -0.605 0.000 0.939 525 L HN 0.119 nan 8.230 nan 0.000 0.451 526 G N -0.901 107.871 108.800 -0.047 0.000 2.421 526 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 526 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 526 G C 1.708 176.685 174.900 0.128 0.000 1.171 526 G CA 0.830 46.059 45.100 0.217 0.000 0.775 526 G HN 0.451 nan 8.290 nan 0.000 0.543 527 A N 1.688 124.532 122.820 0.041 0.000 1.883 527 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 527 A C 0.801 178.370 177.584 -0.023 0.000 1.186 527 A CA 2.108 54.179 52.037 0.056 0.000 0.624 527 A CB -1.208 17.827 19.000 0.058 0.000 0.822 527 A HN 0.398 nan 8.150 nan 0.000 0.444 528 P HA -0.093 nan 4.420 nan 0.000 0.217 528 P C 0.976 178.136 177.300 -0.233 0.000 1.150 528 P CA 0.852 63.837 63.100 -0.192 0.000 0.832 528 P CB -0.187 31.364 31.700 -0.249 0.000 0.787 529 F N -0.194 119.604 119.950 -0.254 0.000 2.171 529 F HA -0.120 4.407 4.527 0.000 0.000 0.300 529 F C 2.711 178.167 175.800 -0.575 0.000 1.090 529 F CA 1.450 59.090 58.000 -0.601 0.000 1.293 529 F CB -1.551 36.647 39.000 -1.336 0.000 1.013 529 F HN -0.040 nan 8.300 nan 0.000 0.486 530 S N 0.348 115.959 115.700 -0.147 0.000 2.355 530 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 530 S C 2.208 176.873 174.600 0.108 0.000 1.031 530 S CA 1.149 59.415 58.200 0.110 0.000 0.993 530 S CB -0.687 62.695 63.200 0.302 0.000 0.859 530 S HN 0.299 nan 8.310 nan 0.000 0.453 531 L N 1.852 123.128 121.223 0.087 0.000 2.021 531 L HA -0.108 4.231 4.340 -0.000 0.000 0.215 531 L C 2.272 179.246 176.870 0.172 0.000 1.074 531 L CA 2.059 56.966 54.840 0.112 0.000 0.760 531 L CB -0.753 41.359 42.059 0.087 0.000 0.889 531 L HN 0.118 nan 8.230 nan 0.000 0.433 532 K N 0.179 120.657 120.400 0.131 0.000 2.097 532 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 532 K C 2.052 178.716 176.600 0.108 0.000 1.049 532 K CA 1.358 57.728 56.287 0.137 0.000 0.933 532 K CB -1.071 31.445 32.500 0.026 0.000 0.717 532 K HN 0.601 nan 8.250 nan 0.000 0.442 533 G N 0.415 109.236 108.800 0.034 0.000 2.430 533 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 533 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 533 G C 1.660 176.596 174.900 0.060 0.000 1.146 533 G CA 0.254 45.339 45.100 -0.025 0.000 0.793 533 G HN 0.152 nan 8.290 nan 0.000 0.537 534 L N -0.147 121.147 121.223 0.118 0.000 2.116 534 L HA 0.116 4.456 4.340 -0.000 0.000 0.200 534 L C 2.883 179.851 176.870 0.164 0.000 1.084 534 L CA 0.479 55.392 54.840 0.123 0.000 0.766 534 L CB -0.350 41.770 42.059 0.102 0.000 0.930 534 L HN 0.041 nan 8.230 nan 0.000 0.453 535 M N 0.052 119.769 119.600 0.196 0.000 2.319 535 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 535 M C 2.144 178.736 176.300 0.487 0.000 1.068 535 M CA 1.233 56.662 55.300 0.215 0.000 1.118 535 M CB -1.651 30.890 32.600 -0.099 0.000 1.395 535 M HN 0.305 nan 8.290 nan 0.000 0.435 536 G N 0.615 109.731 108.800 0.527 0.000 2.679 536 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 536 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 536 G C 0.770 175.881 174.900 0.352 0.000 1.137 536 G CA -0.156 45.237 45.100 0.488 0.000 0.787 536 G HN 0.438 nan 8.290 nan 0.000 0.534 537 N N 1.123 119.989 118.700 0.277 0.000 2.492 537 N HA 0.057 4.797 4.740 -0.000 0.000 0.262 537 N C -1.055 174.530 175.510 0.125 0.000 1.202 537 N CA -1.362 51.789 53.050 0.169 0.000 0.926 537 N CB 2.003 40.583 38.487 0.155 0.000 1.078 537 N HN -0.084 nan 8.380 nan 0.000 0.454 538 P HA -0.191 nan 4.420 nan 0.000 0.217 538 P C 1.476 178.551 177.300 -0.376 0.000 1.148 538 P CA 1.377 64.291 63.100 -0.310 0.000 0.834 538 P CB -0.170 31.204 31.700 -0.542 0.000 0.783 539 I N -3.506 117.029 120.570 -0.059 0.000 2.916 539 I HA -0.093 4.077 4.170 -0.000 0.000 0.267 539 I C 1.558 177.973 176.117 0.498 0.000 1.263 539 I CA 1.246 62.750 61.300 0.341 0.000 1.471 539 I CB -1.064 37.303 38.000 0.611 0.000 1.089 539 I HN -0.156 nan 8.210 nan 0.000 0.468 540 C N 1.317 120.761 119.300 0.240 0.000 2.618 540 C HA 0.192 4.651 4.460 -0.000 0.000 0.264 540 C C 1.769 176.753 174.990 -0.009 0.000 1.334 540 C CA 0.224 59.319 59.018 0.128 0.000 1.731 540 C CB -1.607 26.244 27.740 0.184 0.000 1.852 540 C HN 0.711 nan 8.230 nan 0.000 0.566 541 S N 2.325 117.850 115.700 -0.292 0.000 2.592 541 S HA 0.201 4.671 4.470 -0.000 0.000 0.271 541 S C -1.310 173.272 174.600 -0.031 0.000 1.326 541 S CA -0.621 57.183 58.200 -0.660 0.000 1.024 541 S CB 0.769 63.566 63.200 -0.671 0.000 0.921 541 S HN 0.170 nan 8.310 nan 0.000 0.527 542 P HA -0.114 nan 4.420 nan 0.000 0.219 542 P C 1.142 178.404 177.300 -0.062 0.000 1.146 542 P CA 1.121 63.984 63.100 -0.394 0.000 0.808 542 P CB 0.047 31.243 31.700 -0.839 0.000 0.779 543 Q N -1.829 117.976 119.800 0.007 0.000 2.311 543 Q HA -0.060 4.279 4.340 -0.000 0.000 0.203 543 Q C 1.816 177.833 176.000 0.028 0.000 0.954 543 Q CA 1.095 56.909 55.803 0.019 0.000 0.885 543 Q CB -0.367 28.379 28.738 0.013 0.000 0.963 543 Q HN 0.426 nan 8.270 nan 0.000 0.471 544 Y N -1.695 118.623 120.300 0.030 0.000 2.479 544 Y HA 0.004 4.554 4.550 -0.000 0.000 0.283 544 Y C 1.057 177.069 175.900 0.187 0.000 1.109 544 Y CA -0.167 57.965 58.100 0.053 0.000 1.239 544 Y CB 0.235 38.757 38.460 0.104 0.000 1.108 544 Y HN 0.176 nan 8.280 nan 0.000 0.548 545 W N 4.000 125.479 121.300 0.299 0.000 1.606 545 W HA 0.266 4.926 4.660 0.000 0.000 0.455 545 W C -0.927 175.727 176.519 0.224 0.000 0.711 545 W CA 0.287 57.883 57.345 0.419 0.000 1.876 545 W CB -0.627 29.134 29.460 0.501 0.000 1.776 545 W HN 0.001 nan 8.180 nan 0.000 0.229 546 K N 2.836 123.115 120.400 -0.202 0.000 2.536 546 K HA 0.246 4.566 4.320 -0.000 0.000 0.269 546 K C -1.996 174.180 176.600 -0.706 0.000 0.965 546 K CA -1.639 54.376 56.287 -0.454 0.000 0.860 546 K CB 2.155 34.516 32.500 -0.232 0.000 1.423 546 K HN -0.235 nan 8.250 nan 0.000 0.438 547 P HA -0.193 nan 4.420 nan 0.000 0.218 547 P C 0.977 178.165 177.300 -0.187 0.000 1.149 547 P CA 1.252 64.010 63.100 -0.570 0.000 0.817 547 P CB 0.187 31.680 31.700 -0.346 0.000 0.785 548 S N -1.773 113.811 115.700 -0.192 0.000 2.402 548 S HA -0.132 4.337 4.470 -0.000 0.000 0.229 548 S C 1.843 176.342 174.600 -0.167 0.000 1.021 548 S CA 1.707 59.843 58.200 -0.107 0.000 0.974 548 S CB -1.997 61.141 63.200 -0.102 0.000 0.800 548 S HN 0.108 nan 8.310 nan 0.000 0.484 549 T N 1.571 115.897 114.554 -0.380 0.000 2.803 549 T HA 0.008 4.358 4.350 -0.000 0.000 0.269 549 T C 0.512 174.834 174.700 -0.629 0.000 1.052 549 T CA 1.249 62.960 62.100 -0.649 0.000 1.136 549 T CB -0.459 67.770 68.868 -1.065 0.000 0.864 549 T HN 0.593 nan 8.240 nan 0.000 0.467 550 F N 0.035 120.020 119.950 0.059 0.000 2.668 550 F HA 0.512 5.039 4.527 -0.000 0.000 0.301 550 F C 1.602 177.519 175.800 0.196 0.000 1.106 550 F CA -0.601 57.484 58.000 0.142 0.000 1.289 550 F CB -0.020 39.088 39.000 0.180 0.000 1.006 550 F HN 0.184 nan 8.300 nan 0.000 0.535 551 G N -0.078 108.919 108.800 0.327 0.000 2.141 551 G HA2 0.170 4.130 3.960 -0.000 0.000 0.242 551 G HA3 0.170 4.130 3.960 -0.000 0.000 0.242 551 G C 0.598 175.705 174.900 0.345 0.000 0.982 551 G CA -0.060 45.292 45.100 0.421 0.000 0.662 551 G HN 1.221 nan 8.290 nan 0.000 0.527 552 G N -1.077 107.855 108.800 0.221 0.000 2.409 552 G HA2 0.268 4.228 3.960 -0.000 0.000 0.421 552 G HA3 0.268 4.228 3.960 -0.000 0.000 0.421 552 G C 0.162 175.140 174.900 0.130 0.000 1.259 552 G CA 0.544 45.723 45.100 0.132 0.000 1.011 552 G HN 0.917 nan 8.290 nan 0.000 0.497 553 E N -0.915 119.338 120.200 0.089 0.000 2.150 553 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 553 E C 2.682 179.365 176.600 0.138 0.000 0.985 553 E CA 1.783 58.258 56.400 0.126 0.000 0.814 553 E CB -0.084 29.663 29.700 0.077 0.000 0.752 553 E HN 0.516 nan 8.360 nan 0.000 0.466 554 V N -0.367 119.598 119.914 0.085 0.000 2.307 554 V HA -0.154 3.965 4.120 -0.000 0.000 0.245 554 V C 2.242 178.393 176.094 0.096 0.000 1.045 554 V CA 1.878 64.214 62.300 0.060 0.000 1.024 554 V CB -0.963 30.864 31.823 0.007 0.000 0.651 554 V HN 0.452 nan 8.190 nan 0.000 0.449 555 G N -0.940 107.952 108.800 0.152 0.000 2.418 555 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 555 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 555 G C 1.550 176.566 174.900 0.193 0.000 1.158 555 G CA 0.838 46.057 45.100 0.198 0.000 0.771 555 G HN 0.415 nan 8.290 nan 0.000 0.545 556 F N 1.738 121.699 119.950 0.019 0.000 2.102 556 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 556 F C 2.555 178.283 175.800 -0.120 0.000 1.105 556 F CA 1.683 59.602 58.000 -0.135 0.000 1.239 556 F CB -0.262 38.688 39.000 -0.082 0.000 0.991 556 F HN 0.171 nan 8.300 nan 0.000 0.474 557 K N 0.462 120.857 120.400 -0.008 0.000 2.209 557 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 557 K C 1.977 178.537 176.600 -0.068 0.000 1.048 557 K CA 1.614 57.854 56.287 -0.077 0.000 0.940 557 K CB -0.431 32.066 32.500 -0.005 0.000 0.729 557 K HN 0.397 nan 8.250 nan 0.000 0.451 558 I N 0.345 120.899 120.570 -0.027 0.000 2.226 558 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 558 I C 2.099 178.210 176.117 -0.010 0.000 1.100 558 I CA 1.179 62.477 61.300 -0.004 0.000 1.374 558 I CB -0.210 37.809 38.000 0.032 0.000 1.057 558 I HN 0.155 nan 8.210 nan 0.000 0.413 559 I N 0.833 121.365 120.570 -0.063 0.000 2.179 559 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 559 I C 1.702 177.832 176.117 0.022 0.000 1.088 559 I CA 1.938 63.224 61.300 -0.025 0.000 1.357 559 I CB -0.476 37.436 38.000 -0.147 0.000 1.051 559 I HN 0.294 nan 8.210 nan 0.000 0.409 560 N N -0.616 118.015 118.700 -0.114 0.000 2.515 560 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 560 N C 1.066 176.568 175.510 -0.014 0.000 1.109 560 N CA 1.163 54.169 53.050 -0.074 0.000 0.903 560 N CB 0.180 38.508 38.487 -0.266 0.000 0.969 560 N HN 0.424 nan 8.380 nan 0.000 0.450 561 T N -3.388 111.160 114.554 -0.010 0.000 3.091 561 T HA 0.458 4.808 4.350 -0.000 0.000 0.277 561 T C 0.480 175.192 174.700 0.020 0.000 0.996 561 T CA -0.632 61.471 62.100 0.005 0.000 0.897 561 T CB 0.192 69.054 68.868 -0.010 0.000 1.109 561 T HN 0.050 nan 8.240 nan 0.000 0.534 562 A N 1.932 124.778 122.820 0.044 0.000 2.483 562 A HA 0.648 4.968 4.320 -0.000 0.000 0.238 562 A C 0.638 178.249 177.584 0.045 0.000 1.070 562 A CA -0.006 52.063 52.037 0.053 0.000 0.770 562 A CB 0.031 19.092 19.000 0.101 0.000 1.008 562 A HN 1.132 nan 8.150 nan 0.000 0.497 563 S N 0.857 116.567 115.700 0.016 0.000 2.615 563 S HA 0.440 4.909 4.470 -0.000 0.000 0.269 563 S C 0.385 174.953 174.600 -0.054 0.000 1.161 563 S CA -0.037 58.158 58.200 -0.009 0.000 0.817 563 S CB 0.472 63.656 63.200 -0.026 0.000 1.131 563 S HN 1.074 nan 8.310 nan 0.000 0.467 564 I N 1.200 121.699 120.570 -0.118 0.000 2.286 564 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 564 I C 2.490 178.499 176.117 -0.181 0.000 1.115 564 I CA 2.040 63.217 61.300 -0.204 0.000 1.392 564 I CB -0.430 37.241 38.000 -0.548 0.000 1.065 564 I HN 0.912 nan 8.210 nan 0.000 0.418 565 Q N 0.352 120.055 119.800 -0.161 0.000 2.079 565 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 565 Q C 2.386 178.316 176.000 -0.116 0.000 0.974 565 Q CA 2.380 58.109 55.803 -0.124 0.000 0.840 565 Q CB -0.478 28.212 28.738 -0.080 0.000 0.898 565 Q HN 0.661 nan 8.270 nan 0.000 0.430 566 S N -0.354 115.287 115.700 -0.097 0.000 2.383 566 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 566 S C 1.892 176.421 174.600 -0.120 0.000 1.026 566 S CA 1.013 59.157 58.200 -0.093 0.000 0.981 566 S CB -0.654 62.509 63.200 -0.061 0.000 0.818 566 S HN 0.428 nan 8.310 nan 0.000 0.472 567 L N 0.963 122.102 121.223 -0.139 0.000 2.012 567 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 567 L C 2.155 178.897 176.870 -0.215 0.000 1.073 567 L CA 1.651 56.360 54.840 -0.217 0.000 0.748 567 L CB -0.718 41.168 42.059 -0.289 0.000 0.891 567 L HN 0.279 nan 8.230 nan 0.000 0.431 568 I N -1.240 119.227 120.570 -0.171 0.000 2.286 568 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 568 I C 2.732 178.752 176.117 -0.162 0.000 1.104 568 I CA 1.384 62.588 61.300 -0.160 0.000 1.397 568 I CB -0.900 37.024 38.000 -0.126 0.000 1.072 568 I HN 0.492 nan 8.210 nan 0.000 0.417 569 c N 1.024 119.529 118.600 -0.159 0.000 2.432 569 c HA -0.166 4.404 4.570 -0.000 0.000 0.277 569 c C 2.751 176.754 174.090 -0.144 0.000 1.249 569 c CA 1.175 57.405 56.329 -0.165 0.000 1.725 569 c CB -1.301 41.110 42.510 -0.166 0.000 2.028 569 c HN 0.520 nan 8.230 nan 0.000 0.477 570 N N 1.200 119.820 118.700 -0.134 0.000 2.309 570 N HA -0.041 4.699 4.740 -0.000 0.000 0.182 570 N C 1.030 176.463 175.510 -0.128 0.000 1.018 570 N CA 1.124 54.103 53.050 -0.118 0.000 0.876 570 N CB -0.436 37.989 38.487 -0.104 0.000 0.972 570 N HN 0.678 nan 8.380 nan 0.000 0.434 571 N N -0.487 118.122 118.700 -0.153 0.000 2.159 571 N HA 0.098 4.838 4.740 -0.000 0.000 0.217 571 N C -0.679 174.725 175.510 -0.178 0.000 1.223 571 N CA 0.111 53.061 53.050 -0.166 0.000 0.896 571 N CB 1.967 40.340 38.487 -0.190 0.000 1.064 571 N HN -0.101 nan 8.380 nan 0.000 0.518 572 V N 1.722 121.537 119.914 -0.165 0.000 2.444 572 V HA 0.217 4.337 4.120 -0.000 0.000 0.294 572 V C 0.458 176.471 176.094 -0.135 0.000 1.022 572 V CA -1.203 61.002 62.300 -0.159 0.000 0.850 572 V CB 2.523 34.255 31.823 -0.152 0.000 0.992 572 V HN -0.023 nan 8.190 nan 0.000 0.426 573 K N 2.770 123.095 120.400 -0.124 0.000 2.530 573 K HA 0.189 4.509 4.320 -0.000 0.000 0.280 573 K C 1.294 177.840 176.600 -0.090 0.000 1.004 573 K CA 1.428 57.656 56.287 -0.099 0.000 1.071 573 K CB 0.029 32.479 32.500 -0.083 0.000 0.876 573 K HN 1.213 nan 8.250 nan 0.000 0.487 574 G N 2.813 111.559 108.800 -0.090 0.000 2.199 574 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.254 574 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.254 574 G C 0.358 175.178 174.900 -0.133 0.000 0.982 574 G CA -0.053 44.993 45.100 -0.090 0.000 0.632 574 G HN 1.217 nan 8.290 nan 0.000 0.529 575 c N 1.156 119.663 118.600 -0.155 0.000 3.004 575 c HA -0.054 4.516 4.570 -0.000 0.000 0.267 575 c C -0.613 173.299 174.090 -0.296 0.000 1.211 575 c CA -0.106 56.093 56.329 -0.218 0.000 2.485 575 c CB -1.714 40.656 42.510 -0.234 0.000 1.539 575 c HN 0.807 nan 8.230 nan 0.000 0.462 576 P HA 0.334 nan 4.420 nan 0.000 0.275 576 P C 0.082 177.266 177.300 -0.194 0.000 1.227 576 P CA 0.109 63.112 63.100 -0.160 0.000 0.781 576 P CB 0.365 32.032 31.700 -0.055 0.000 0.906 577 F N 0.923 120.848 119.950 -0.041 0.000 2.563 577 F HA 0.318 4.845 4.527 0.000 0.000 0.363 577 F C 1.725 177.494 175.800 -0.051 0.000 1.123 577 F CA 1.156 59.127 58.000 -0.048 0.000 1.307 577 F CB 0.357 39.334 39.000 -0.039 0.000 1.115 577 F HN 0.258 nan 8.300 nan 0.000 0.592 578 T N 0.838 115.456 114.554 0.107 0.000 2.792 578 T HA 0.711 5.061 4.350 -0.000 0.000 0.303 578 T C -0.957 173.702 174.700 -0.068 0.000 1.310 578 T CA -0.139 61.969 62.100 0.014 0.000 1.007 578 T CB 1.198 70.048 68.868 -0.031 0.000 1.335 578 T HN 0.908 nan 8.240 nan 0.000 0.504 579 S N 0.365 115.980 115.700 -0.141 0.000 2.671 579 S HA 0.520 4.990 4.470 -0.000 0.000 0.270 579 S C -0.941 173.475 174.600 -0.306 0.000 1.166 579 S CA -0.639 57.384 58.200 -0.294 0.000 0.868 579 S CB 0.166 63.276 63.200 -0.151 0.000 1.190 579 S HN 0.423 nan 8.310 nan 0.000 0.494 580 F N 2.272 122.142 119.950 -0.133 0.000 2.693 580 F HA 0.380 4.907 4.527 -0.001 0.000 0.303 580 F C 0.824 176.319 175.800 -0.509 0.000 1.097 580 F CA -0.422 57.417 58.000 -0.267 0.000 1.330 580 F CB -0.734 38.049 39.000 -0.363 0.000 1.067 580 F HN 0.764 nan 8.300 nan 0.000 0.565 581 N N -2.086 116.523 118.700 -0.151 0.000 2.453 581 N HA 0.643 5.383 4.740 -0.000 0.000 0.290 581 N C -0.445 175.058 175.510 -0.012 0.000 1.250 581 N CA -0.665 52.332 53.050 -0.087 0.000 0.815 581 N CB 2.327 40.808 38.487 -0.010 0.000 1.381 581 N HN -0.201 nan 8.380 nan 0.000 0.510 582 V N 0.000 119.917 119.914 0.005 0.000 2.409 582 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 582 V CA 0.000 62.307 62.300 0.012 0.000 1.235 582 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 582 V HN 0.000 nan 8.190 nan 0.000 0.556