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 3nt1_1_A DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.625 177.584 0.068 0.000 1.274 33 A CA 0.000 52.073 52.037 0.059 0.000 0.836 33 A CB 0.000 19.036 19.000 0.060 0.000 0.831 34 N N 2.428 121.158 118.700 0.050 0.000 2.411 34 N HA 0.115 4.855 4.740 -0.001 0.000 0.261 34 N C -1.646 173.882 175.510 0.029 0.000 1.248 34 N CA -0.474 52.599 53.050 0.038 0.000 0.885 34 N CB 1.229 39.728 38.487 0.021 0.000 1.062 34 N HN 0.253 nan 8.380 nan 0.000 0.471 35 P HA -0.013 nan 4.420 nan 0.000 0.228 35 P C 0.662 177.934 177.300 -0.047 0.000 1.151 35 P CA 0.655 63.792 63.100 0.063 0.000 0.770 35 P CB 0.096 31.890 31.700 0.157 0.000 0.786 36 c N -1.397 117.161 118.600 -0.071 0.000 2.626 36 c HA 0.109 4.678 4.570 -0.001 0.000 0.266 36 c C 2.691 176.693 174.090 -0.147 0.000 1.317 36 c CA -0.210 56.019 56.329 -0.167 0.000 1.716 36 c CB -2.234 40.215 42.510 -0.102 0.000 1.819 36 c HN 0.342 nan 8.230 nan 0.000 0.578 37 c N 1.522 120.067 118.600 -0.092 0.000 2.411 37 c HA -0.104 4.466 4.570 -0.001 0.000 0.279 37 c C 2.870 176.909 174.090 -0.084 0.000 1.288 37 c CA 1.993 58.282 56.329 -0.067 0.000 1.764 37 c CB -1.307 41.186 42.510 -0.028 0.000 1.974 37 c HN 0.820 nan 8.230 nan 0.000 0.498 38 S N 0.428 116.058 115.700 -0.116 0.000 2.607 38 S HA -0.026 4.444 4.470 -0.001 0.000 0.224 38 S C 0.418 174.934 174.600 -0.140 0.000 0.969 38 S CA 0.411 58.544 58.200 -0.111 0.000 0.927 38 S CB -0.638 62.496 63.200 -0.110 0.000 0.772 38 S HN 0.681 nan 8.310 nan 0.000 0.533 39 N N 1.489 120.085 118.700 -0.173 0.000 2.727 39 N HA -0.089 4.651 4.740 -0.001 0.000 0.251 39 N C -1.976 173.416 175.510 -0.197 0.000 1.040 39 N CA 1.021 53.964 53.050 -0.179 0.000 0.712 39 N CB -1.551 36.848 38.487 -0.147 0.000 0.912 39 N HN 0.470 nan 8.380 nan 0.000 0.545 40 P HA -0.016 nan 4.420 nan 0.000 0.221 40 P C 0.309 177.519 177.300 -0.150 0.000 1.150 40 P CA 0.671 63.615 63.100 -0.261 0.000 0.800 40 P CB 0.172 31.530 31.700 -0.569 0.000 0.787 41 c N 2.520 121.035 118.600 -0.143 0.000 2.499 41 c HA 0.338 4.908 4.570 -0.001 0.000 0.386 41 c C 0.774 174.798 174.090 -0.109 0.000 1.293 41 c CA -0.578 55.708 56.329 -0.072 0.000 1.884 41 c CB -0.487 42.002 42.510 -0.035 0.000 2.509 41 c HN 0.262 nan 8.230 nan 0.000 0.566 42 Q N 1.721 121.443 119.800 -0.129 0.000 2.194 42 Q HA 0.336 4.676 4.340 -0.001 0.000 0.245 42 Q C 0.339 176.195 176.000 -0.241 0.000 0.993 42 Q CA -0.445 55.240 55.803 -0.197 0.000 0.930 42 Q CB 0.465 29.058 28.738 -0.243 0.000 1.238 42 Q HN 0.753 nan 8.270 nan 0.000 0.486 43 N N 0.986 119.509 118.700 -0.294 0.000 2.735 43 N HA -0.232 4.508 4.740 -0.001 0.000 0.248 43 N C -0.689 174.745 175.510 -0.127 0.000 1.083 43 N CA 1.083 53.950 53.050 -0.304 0.000 0.703 43 N CB -0.553 37.492 38.487 -0.738 0.000 1.005 43 N HN 0.704 nan 8.380 nan 0.000 0.550 44 R N -3.906 116.524 120.500 -0.116 0.000 3.989 44 R HA -0.155 4.185 4.340 -0.001 0.000 0.377 44 R C 0.916 177.196 176.300 -0.034 0.000 1.158 44 R CA 1.201 57.255 56.100 -0.077 0.000 1.035 44 R CB -2.172 28.084 30.300 -0.074 0.000 1.557 44 R HN 0.420 nan 8.270 nan 0.000 0.551 45 G N 1.131 109.911 108.800 -0.032 0.000 2.544 45 G HA2 0.252 4.212 3.960 -0.001 0.000 0.242 45 G HA3 0.252 4.212 3.960 -0.001 0.000 0.242 45 G C -0.152 174.750 174.900 0.005 0.000 1.247 45 G CA -0.307 44.796 45.100 0.004 0.000 0.840 45 G HN 0.215 nan 8.290 nan 0.000 0.578 46 E N -0.343 119.878 120.200 0.035 0.000 2.166 46 E HA 0.301 4.651 4.350 -0.001 0.000 0.275 46 E C -0.818 175.812 176.600 0.050 0.000 0.941 46 E CA -0.603 55.826 56.400 0.048 0.000 0.784 46 E CB 2.041 31.793 29.700 0.087 0.000 1.115 46 E HN 0.391 nan 8.360 nan 0.000 0.399 47 c N 4.783 123.397 118.600 0.024 0.000 2.330 47 c HA 0.577 5.147 4.570 -0.001 0.000 0.344 47 c C -0.279 173.843 174.090 0.053 0.000 1.273 47 c CA -0.361 55.988 56.329 0.034 0.000 1.879 47 c CB -0.499 41.976 42.510 -0.059 0.000 2.376 47 c HN 0.793 nan 8.230 nan 0.000 0.534 48 M N 5.793 125.445 119.600 0.086 0.000 2.327 48 M HA 0.411 4.891 4.480 -0.001 0.000 0.298 48 M C 0.109 176.455 176.300 0.076 0.000 1.065 48 M CA -0.085 55.252 55.300 0.062 0.000 0.916 48 M CB 2.031 34.659 32.600 0.047 0.000 1.630 48 M HN 0.813 nan 8.290 nan 0.000 0.442 49 S N 2.292 118.015 115.700 0.038 0.000 2.562 49 S HA 0.273 4.742 4.470 -0.001 0.000 0.281 49 S C 0.556 175.150 174.600 -0.009 0.000 1.333 49 S CA 0.215 58.432 58.200 0.029 0.000 1.052 49 S CB 0.523 63.711 63.200 -0.020 0.000 0.884 49 S HN 0.798 nan 8.310 nan 0.000 0.506 50 T N -1.259 113.289 114.554 -0.011 0.000 3.252 50 T HA 0.632 4.981 4.350 -0.001 0.000 0.286 50 T C 0.567 175.231 174.700 -0.060 0.000 1.013 50 T CA -0.045 62.032 62.100 -0.038 0.000 0.914 50 T CB -0.293 68.558 68.868 -0.028 0.000 1.131 50 T HN 1.517 nan 8.240 nan 0.000 0.529 51 G N 0.127 108.869 108.800 -0.097 0.000 2.341 51 G HA2 0.341 4.300 3.960 -0.001 0.000 0.293 51 G HA3 0.341 4.300 3.960 -0.001 0.000 0.293 51 G C -0.471 174.346 174.900 -0.138 0.000 1.298 51 G CA -0.812 44.213 45.100 -0.125 0.000 0.868 51 G HN -0.007 nan 8.290 nan 0.000 0.540 52 F N 0.019 119.980 119.950 0.018 0.000 2.234 52 F HA 0.132 4.659 4.527 -0.001 0.000 0.299 52 F C 1.715 177.534 175.800 0.031 0.000 1.087 52 F CA 1.653 59.666 58.000 0.022 0.000 1.340 52 F CB 0.422 39.432 39.000 0.016 0.000 1.031 52 F HN 0.243 nan 8.300 nan 0.000 0.500 53 D N -0.663 119.855 120.400 0.195 0.000 2.692 53 D HA 0.155 4.794 4.640 -0.001 0.000 0.290 53 D C -0.282 176.088 176.300 0.117 0.000 1.455 53 D CA 0.211 54.296 54.000 0.143 0.000 0.796 53 D CB 0.416 41.290 40.800 0.123 0.000 1.131 53 D HN 0.293 nan 8.370 nan 0.000 0.467 54 Q N 0.355 120.216 119.800 0.101 0.000 2.389 54 Q HA 0.455 4.795 4.340 -0.001 0.000 0.277 54 Q C -1.197 174.865 176.000 0.104 0.000 1.082 54 Q CA -1.089 54.751 55.803 0.061 0.000 0.810 54 Q CB 2.886 31.622 28.738 -0.004 0.000 1.374 54 Q HN 0.177 nan 8.270 nan 0.000 0.422 55 Y N -1.252 119.047 120.300 -0.002 0.000 2.605 55 Y HA 0.786 5.336 4.550 -0.000 0.000 0.343 55 Y C -1.295 174.603 175.900 -0.004 0.000 1.036 55 Y CA -1.197 56.898 58.100 -0.008 0.000 1.065 55 Y CB 1.807 40.262 38.460 -0.008 0.000 1.288 55 Y HN 0.477 nan 8.280 nan 0.000 0.481 56 K N 1.476 121.945 120.400 0.116 0.000 2.422 56 K HA 0.712 5.031 4.320 -0.001 0.000 0.251 56 K C -1.925 174.786 176.600 0.185 0.000 0.933 56 K CA -0.611 55.706 56.287 0.050 0.000 0.798 56 K CB 1.735 34.241 32.500 0.011 0.000 1.238 56 K HN 0.955 nan 8.250 nan 0.000 0.428 57 c N 2.348 121.046 118.600 0.163 0.000 2.330 57 c HA 0.316 4.886 4.570 -0.001 0.000 0.344 57 c C -0.442 173.702 174.090 0.090 0.000 1.273 57 c CA -0.681 55.732 56.329 0.140 0.000 1.879 57 c CB 0.516 43.112 42.510 0.145 0.000 2.376 57 c HN 0.741 nan 8.230 nan 0.000 0.534 58 D N 1.723 122.169 120.400 0.076 0.000 2.396 58 D HA 0.238 4.878 4.640 -0.001 0.000 0.225 58 D C 0.251 176.593 176.300 0.069 0.000 1.121 58 D CA -0.319 53.720 54.000 0.065 0.000 0.853 58 D CB 0.630 41.463 40.800 0.056 0.000 1.043 58 D HN 0.644 nan 8.370 nan 0.000 0.500 59 c N 2.929 121.580 118.600 0.084 0.000 2.693 59 c HA 0.166 4.736 4.570 -0.001 0.000 0.286 59 c C 0.853 175.006 174.090 0.104 0.000 1.277 59 c CA -0.400 55.992 56.329 0.106 0.000 1.705 59 c CB -1.616 40.985 42.510 0.151 0.000 1.879 59 c HN 0.529 nan 8.230 nan 0.000 0.607 60 T N 2.009 116.608 114.554 0.074 0.000 2.849 60 T HA 0.010 4.360 4.350 -0.001 0.000 0.289 60 T C 0.969 175.706 174.700 0.063 0.000 1.010 60 T CA 0.704 62.840 62.100 0.060 0.000 1.161 60 T CB -0.050 68.841 68.868 0.037 0.000 0.989 60 T HN 0.630 nan 8.240 nan 0.000 0.523 61 R N 0.223 120.764 120.500 0.069 0.000 3.863 61 R HA -0.223 4.117 4.340 -0.001 0.000 0.313 61 R C 1.609 177.971 176.300 0.104 0.000 1.202 61 R CA 1.163 57.307 56.100 0.073 0.000 0.852 61 R CB -2.450 27.880 30.300 0.050 0.000 1.292 61 R HN 0.922 nan 8.270 nan 0.000 0.519 62 T N -4.640 109.998 114.554 0.140 0.000 3.054 62 T HA 0.220 4.570 4.350 -0.001 0.000 0.259 62 T C 1.541 176.410 174.700 0.281 0.000 1.092 62 T CA 0.939 63.167 62.100 0.213 0.000 1.121 62 T CB 0.731 69.745 68.868 0.242 0.000 0.912 62 T HN 0.670 nan 8.240 nan 0.000 0.489 63 G N 0.638 109.530 108.800 0.154 0.000 2.175 63 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.244 63 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.244 63 G C -0.119 174.624 174.900 -0.262 0.000 0.982 63 G CA 0.014 45.081 45.100 -0.055 0.000 0.641 63 G HN 0.560 nan 8.290 nan 0.000 0.527 64 F N -0.492 119.510 119.950 0.086 0.000 2.611 64 F HA 0.825 5.351 4.527 -0.000 0.000 0.324 64 F C 0.305 176.194 175.800 0.150 0.000 1.061 64 F CA -0.976 57.055 58.000 0.053 0.000 0.954 64 F CB 1.439 40.423 39.000 -0.026 0.000 1.301 64 F HN 0.269 nan 8.300 nan 0.000 0.482 65 Y N -1.216 119.215 120.300 0.219 0.000 2.889 65 Y HA 0.916 5.465 4.550 -0.001 0.000 0.317 65 Y C -0.042 175.927 175.900 0.114 0.000 1.414 65 Y CA -1.648 56.530 58.100 0.129 0.000 1.091 65 Y CB 1.054 39.562 38.460 0.078 0.000 1.358 65 Y HN 1.078 nan 8.280 nan 0.000 0.487 66 G N 0.241 109.193 108.800 0.253 0.000 2.661 66 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.685 66 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.685 66 G C 0.229 175.181 174.900 0.086 0.000 1.298 66 G CA -0.015 45.157 45.100 0.119 0.000 0.855 66 G HN 1.175 nan 8.290 nan 0.000 0.560 67 E N -0.329 119.905 120.200 0.056 0.000 2.097 67 E HA -0.191 4.158 4.350 -0.001 0.000 0.196 67 E C 1.497 178.150 176.600 0.088 0.000 1.000 67 E CA 1.735 58.160 56.400 0.042 0.000 0.804 67 E CB -0.064 29.641 29.700 0.009 0.000 0.740 67 E HN 0.390 nan 8.360 nan 0.000 0.454 68 N N -0.919 117.825 118.700 0.074 0.000 2.234 68 N HA 0.093 4.833 4.740 -0.001 0.000 0.227 68 N C -0.685 174.825 175.510 -0.001 0.000 1.151 68 N CA 0.402 53.493 53.050 0.068 0.000 0.865 68 N CB 0.471 38.985 38.487 0.045 0.000 1.066 68 N HN 0.144 nan 8.380 nan 0.000 0.515 69 c N 0.548 119.159 118.600 0.019 0.000 4.350 69 c HA -0.122 4.447 4.570 -0.001 0.000 0.302 69 c C 1.690 175.713 174.090 -0.112 0.000 1.390 69 c CA 1.125 57.462 56.329 0.014 0.000 2.016 69 c CB -3.092 39.422 42.510 0.006 0.000 1.271 69 c HN 0.602 nan 8.230 nan 0.000 0.760 70 T N -4.966 109.538 114.554 -0.084 0.000 3.010 70 T HA 0.186 4.536 4.350 -0.001 0.000 0.257 70 T C 0.282 175.006 174.700 0.041 0.000 1.020 70 T CA 0.527 62.559 62.100 -0.114 0.000 0.938 70 T CB 0.217 69.023 68.868 -0.104 0.000 1.049 70 T HN 0.543 nan 8.240 nan 0.000 0.522 71 T N 5.835 120.350 114.554 -0.066 0.000 2.727 71 T HA 0.416 4.766 4.350 -0.001 0.000 0.298 71 T C -2.705 171.843 174.700 -0.252 0.000 0.942 71 T CA -1.241 60.692 62.100 -0.277 0.000 0.997 71 T CB 1.244 69.663 68.868 -0.748 0.000 0.917 71 T HN 0.216 nan 8.240 nan 0.000 0.487 72 P HA 0.262 nan 4.420 nan 0.000 0.279 72 P C -0.101 177.117 177.300 -0.136 0.000 1.239 72 P CA -0.510 62.385 63.100 -0.343 0.000 0.789 72 P CB 1.019 32.531 31.700 -0.314 0.000 0.933 73 E N 0.849 120.990 120.200 -0.099 0.000 2.392 73 E HA 0.029 4.379 4.350 -0.001 0.000 0.256 73 E C 0.749 177.375 176.600 0.044 0.000 1.145 73 E CA -0.302 56.160 56.400 0.103 0.000 0.929 73 E CB 0.142 29.883 29.700 0.068 0.000 0.998 73 E HN 0.376 nan 8.360 nan 0.000 0.442 74 F N 1.454 121.400 119.950 -0.008 0.000 2.095 74 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 74 F C 1.812 177.584 175.800 -0.047 0.000 1.104 74 F CA 1.338 59.324 58.000 -0.022 0.000 1.232 74 F CB -0.078 38.916 39.000 -0.009 0.000 0.987 74 F HN 0.403 nan 8.300 nan 0.000 0.475 75 L N -0.031 121.208 121.223 0.027 0.000 2.083 75 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 75 L C 2.395 179.161 176.870 -0.173 0.000 1.083 75 L CA 2.292 57.088 54.840 -0.073 0.000 0.752 75 L CB -1.040 41.024 42.059 0.008 0.000 0.899 75 L HN 0.172 nan 8.230 nan 0.000 0.433 76 T N -1.096 113.341 114.554 -0.195 0.000 2.746 76 T HA -0.206 4.144 4.350 -0.001 0.000 0.267 76 T C 2.025 176.569 174.700 -0.260 0.000 1.039 76 T CA 1.326 63.260 62.100 -0.277 0.000 1.142 76 T CB -0.226 68.327 68.868 -0.524 0.000 0.866 76 T HN 0.299 nan 8.240 nan 0.000 0.444 77 R N 0.290 120.624 120.500 -0.278 0.000 2.083 77 R HA -0.032 4.308 4.340 -0.001 0.000 0.237 77 R C 2.469 178.615 176.300 -0.257 0.000 1.137 77 R CA 1.375 57.325 56.100 -0.251 0.000 0.951 77 R CB -0.537 29.590 30.300 -0.288 0.000 0.851 77 R HN 0.419 nan 8.270 nan 0.000 0.434 78 I N 0.789 121.150 120.570 -0.347 0.000 2.202 78 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 78 I C 2.272 178.292 176.117 -0.162 0.000 1.091 78 I CA 1.399 62.534 61.300 -0.274 0.000 1.368 78 I CB -0.258 37.559 38.000 -0.305 0.000 1.058 78 I HN 0.146 nan 8.210 nan 0.000 0.410 79 K N 0.357 120.672 120.400 -0.142 0.000 2.063 79 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 79 K C 2.067 178.627 176.600 -0.068 0.000 1.048 79 K CA 1.282 57.514 56.287 -0.092 0.000 0.928 79 K CB -0.254 32.197 32.500 -0.083 0.000 0.713 79 K HN 0.111 nan 8.250 nan 0.000 0.442 80 L N 1.092 122.272 121.223 -0.071 0.000 2.042 80 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 80 L C 2.232 179.078 176.870 -0.040 0.000 1.076 80 L CA 1.378 56.198 54.840 -0.033 0.000 0.749 80 L CB -0.784 41.264 42.059 -0.018 0.000 0.893 80 L HN 0.216 nan 8.230 nan 0.000 0.432 81 L N -0.838 120.345 121.223 -0.066 0.000 2.046 81 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 81 L C 2.296 179.136 176.870 -0.050 0.000 1.077 81 L CA 1.817 56.621 54.840 -0.060 0.000 0.747 81 L CB -0.713 41.297 42.059 -0.081 0.000 0.896 81 L HN 0.272 nan 8.230 nan 0.000 0.432 82 L N -0.695 120.495 121.223 -0.056 0.000 2.270 82 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 82 L C 1.273 178.122 176.870 -0.036 0.000 1.104 82 L CA 0.135 54.946 54.840 -0.049 0.000 0.804 82 L CB -0.345 41.680 42.059 -0.057 0.000 0.937 82 L HN 0.150 nan 8.230 nan 0.000 0.450 83 K N 2.981 123.365 120.400 -0.026 0.000 2.412 83 K HA 0.115 4.435 4.320 -0.001 0.000 0.284 83 K C -2.034 174.567 176.600 0.001 0.000 1.046 83 K CA -1.344 54.939 56.287 -0.007 0.000 0.999 83 K CB 0.610 33.113 32.500 0.006 0.000 0.941 83 K HN -0.082 nan 8.250 nan 0.000 0.474 84 P HA 0.033 nan 4.420 nan 0.000 0.274 84 P C -0.534 176.786 177.300 0.034 0.000 1.231 84 P CA -0.461 62.650 63.100 0.017 0.000 0.790 84 P CB 0.874 32.587 31.700 0.023 0.000 0.951 85 T N -0.943 113.630 114.554 0.032 0.000 2.860 85 T HA 0.168 4.517 4.350 -0.001 0.000 0.299 85 T C -1.733 173.005 174.700 0.064 0.000 1.045 85 T CA -1.260 60.862 62.100 0.037 0.000 1.071 85 T CB -0.163 68.719 68.868 0.024 0.000 0.985 85 T HN 0.165 nan 8.240 nan 0.000 0.537 86 P HA -0.082 nan 4.420 nan 0.000 0.216 86 P C 1.389 178.768 177.300 0.131 0.000 1.150 86 P CA 0.907 64.063 63.100 0.094 0.000 0.837 86 P CB -0.044 31.697 31.700 0.069 0.000 0.786 87 N N -1.369 117.393 118.700 0.103 0.000 2.166 87 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 87 N C 1.650 177.281 175.510 0.201 0.000 1.019 87 N CA 1.460 54.594 53.050 0.140 0.000 0.856 87 N CB -1.192 37.347 38.487 0.087 0.000 0.993 87 N HN 0.158 nan 8.380 nan 0.000 0.426 88 T N 0.663 115.300 114.554 0.138 0.000 2.777 88 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 88 T C 2.153 176.977 174.700 0.207 0.000 1.040 88 T CA 0.720 62.902 62.100 0.137 0.000 1.141 88 T CB -0.231 68.675 68.868 0.062 0.000 0.868 88 T HN -0.036 nan 8.240 nan 0.000 0.444 89 V N 1.406 121.421 119.914 0.169 0.000 2.295 89 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 89 V C 2.407 178.591 176.094 0.149 0.000 1.049 89 V CA 1.718 64.107 62.300 0.147 0.000 1.024 89 V CB -0.744 31.144 31.823 0.109 0.000 0.648 89 V HN 0.630 nan 8.190 nan 0.000 0.447 90 H N -0.981 118.153 119.070 0.107 0.000 2.352 90 H HA -0.269 4.287 4.556 -0.000 0.000 0.299 90 H C 2.317 177.751 175.328 0.177 0.000 1.097 90 H CA 2.563 58.679 56.048 0.114 0.000 1.311 90 H CB -0.226 29.632 29.762 0.160 0.000 1.377 90 H HN 0.536 nan 8.280 nan 0.000 0.504 91 Y N 1.123 121.536 120.300 0.188 0.000 2.097 91 Y HA -0.232 4.317 4.550 -0.001 0.000 0.282 91 Y C 2.750 178.808 175.900 0.264 0.000 1.152 91 Y CA 2.163 60.382 58.100 0.199 0.000 1.136 91 Y CB -0.523 38.002 38.460 0.109 0.000 0.975 91 Y HN 0.122 nan 8.280 nan 0.000 0.498 92 I N -0.197 120.659 120.570 0.476 0.000 2.286 92 I HA -0.328 3.842 4.170 -0.001 0.000 0.248 92 I C 2.161 178.624 176.117 0.577 0.000 1.115 92 I CA 1.299 62.959 61.300 0.599 0.000 1.392 92 I CB -0.374 37.900 38.000 0.457 0.000 1.065 92 I HN 0.270 nan 8.210 nan 0.000 0.418 93 L N 0.104 121.419 121.223 0.155 0.000 2.376 93 L HA -0.107 4.233 4.340 -0.001 0.000 0.219 93 L C 2.133 178.800 176.870 -0.338 0.000 1.133 93 L CA 1.385 56.066 54.840 -0.266 0.000 0.816 93 L CB -0.494 41.026 42.059 -0.899 0.000 0.933 93 L HN 0.413 nan 8.230 nan 0.000 0.449 94 T N -5.417 108.978 114.554 -0.264 0.000 3.092 94 T HA 0.202 4.552 4.350 -0.001 0.000 0.258 94 T C 0.329 174.744 174.700 -0.475 0.000 1.031 94 T CA -0.289 61.499 62.100 -0.521 0.000 0.925 94 T CB -0.035 68.477 68.868 -0.593 0.000 1.036 94 T HN 0.172 nan 8.240 nan 0.000 0.544 95 H N -0.650 118.359 119.070 -0.102 0.000 2.927 95 H HA 0.605 5.161 4.556 -0.001 0.000 0.316 95 H C -0.569 174.834 175.328 0.126 0.000 1.403 95 H CA -1.696 54.193 56.048 -0.265 0.000 1.288 95 H CB 0.553 29.664 29.762 -1.085 0.000 1.944 95 H HN 0.051 nan 8.280 nan 0.000 0.629 96 F N -0.540 119.586 119.950 0.293 0.000 3.039 96 F HA -0.287 4.240 4.527 -0.000 0.000 0.287 96 F C 1.631 177.547 175.800 0.195 0.000 0.956 96 F CA 0.487 58.587 58.000 0.166 0.000 0.971 96 F CB -1.003 38.030 39.000 0.055 0.000 0.943 96 F HN 0.510 nan 8.300 nan 0.000 0.766 97 K N 1.086 121.584 120.400 0.163 0.000 2.113 97 K HA -0.173 4.147 4.320 -0.001 0.000 0.208 97 K C 2.259 178.918 176.600 0.098 0.000 1.047 97 K CA 1.668 57.936 56.287 -0.032 0.000 0.928 97 K CB -0.525 31.698 32.500 -0.463 0.000 0.716 97 K HN 0.587 nan 8.250 nan 0.000 0.446 98 G N 0.390 109.233 108.800 0.073 0.000 2.418 98 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 98 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 98 G C 1.486 176.422 174.900 0.059 0.000 1.158 98 G CA 0.872 46.008 45.100 0.059 0.000 0.771 98 G HN 0.197 nan 8.290 nan 0.000 0.545 99 V N -0.452 119.482 119.914 0.033 0.000 2.358 99 V HA -0.155 3.965 4.120 -0.001 0.000 0.246 99 V C 2.421 178.472 176.094 -0.072 0.000 1.047 99 V CA 1.657 63.902 62.300 -0.092 0.000 1.035 99 V CB -0.710 30.956 31.823 -0.261 0.000 0.658 99 V HN 0.588 nan 8.190 nan 0.000 0.452 100 W N 0.156 121.529 121.300 0.122 0.000 2.363 100 W HA -0.118 4.542 4.660 -0.000 0.000 0.296 100 W C 2.557 179.150 176.519 0.124 0.000 1.212 100 W CA 1.212 58.651 57.345 0.157 0.000 1.260 100 W CB -0.449 29.145 29.460 0.223 0.000 1.131 100 W HN 0.209 nan 8.180 nan 0.000 0.530 101 N N 0.513 119.384 118.700 0.284 0.000 2.149 101 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 101 N C 1.548 177.141 175.510 0.138 0.000 1.019 101 N CA 1.436 54.590 53.050 0.173 0.000 0.857 101 N CB -0.139 38.409 38.487 0.102 0.000 0.997 101 N HN 0.040 nan 8.380 nan 0.000 0.426 102 I N 0.920 121.555 120.570 0.110 0.000 2.202 102 I HA -0.177 3.993 4.170 -0.001 0.000 0.242 102 I C 2.388 178.572 176.117 0.110 0.000 1.091 102 I CA 0.790 62.138 61.300 0.079 0.000 1.368 102 I CB -1.213 36.807 38.000 0.033 0.000 1.058 102 I HN -0.068 nan 8.210 nan 0.000 0.410 103 V N 1.520 121.518 119.914 0.140 0.000 2.287 103 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 103 V C 1.424 177.679 176.094 0.269 0.000 1.053 103 V CA 1.519 63.938 62.300 0.198 0.000 1.027 103 V CB -0.994 30.985 31.823 0.261 0.000 0.646 103 V HN 0.439 nan 8.190 nan 0.000 0.447 104 N N 0.676 119.553 118.700 0.294 0.000 2.648 104 N HA 0.036 4.776 4.740 -0.001 0.000 0.210 104 N C 0.246 175.834 175.510 0.129 0.000 1.464 104 N CA 0.233 53.405 53.050 0.204 0.000 0.890 104 N CB -1.114 37.462 38.487 0.149 0.000 1.179 104 N HN 0.505 nan 8.380 nan 0.000 0.476 105 I N 0.320 120.963 120.570 0.121 0.000 2.751 105 I HA -0.286 3.884 4.170 -0.001 0.000 0.126 105 I C -1.106 175.104 176.117 0.156 0.000 0.884 105 I CA -0.535 60.846 61.300 0.134 0.000 2.786 105 I CB -0.164 37.921 38.000 0.142 0.000 0.572 105 I HN 0.051 nan 8.210 nan 0.000 0.352 106 P HA -0.241 nan 4.420 nan 0.000 0.216 106 P C 1.524 178.924 177.300 0.167 0.000 1.153 106 P CA 1.472 64.656 63.100 0.139 0.000 0.858 106 P CB 0.061 31.836 31.700 0.125 0.000 0.789 107 F N 0.100 120.091 119.950 0.068 0.000 2.126 107 F HA -0.188 4.338 4.527 -0.000 0.000 0.299 107 F C 1.891 177.738 175.800 0.077 0.000 1.096 107 F CA 1.330 59.368 58.000 0.063 0.000 1.255 107 F CB -0.976 38.052 39.000 0.047 0.000 0.997 107 F HN -0.211 nan 8.300 nan 0.000 0.479 108 L N 0.893 122.067 121.223 -0.082 0.000 2.072 108 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 108 L C 2.620 179.482 176.870 -0.014 0.000 1.079 108 L CA 1.723 56.467 54.840 -0.160 0.000 0.752 108 L CB -1.130 40.953 42.059 0.041 0.000 0.906 108 L HN 0.215 nan 8.230 nan 0.000 0.436 109 R N -1.164 119.422 120.500 0.143 0.000 2.091 109 R HA -0.151 4.189 4.340 -0.001 0.000 0.238 109 R C 2.228 178.666 176.300 0.231 0.000 1.136 109 R CA 1.790 58.082 56.100 0.321 0.000 0.959 109 R CB -0.189 30.251 30.300 0.233 0.000 0.856 109 R HN 0.356 nan 8.270 nan 0.000 0.437 110 S N 0.880 116.623 115.700 0.072 0.000 2.356 110 S HA -0.148 4.321 4.470 -0.001 0.000 0.223 110 S C 1.722 176.301 174.600 -0.035 0.000 1.032 110 S CA 1.202 59.415 58.200 0.021 0.000 1.005 110 S CB -0.341 62.857 63.200 -0.002 0.000 0.867 110 S HN 0.279 nan 8.310 nan 0.000 0.449 111 L N 1.770 122.881 121.223 -0.187 0.000 2.012 111 L HA -0.048 4.292 4.340 -0.001 0.000 0.210 111 L C 1.918 178.743 176.870 -0.075 0.000 1.073 111 L CA 1.675 56.385 54.840 -0.216 0.000 0.748 111 L CB -0.543 41.244 42.059 -0.454 0.000 0.891 111 L HN 0.308 nan 8.230 nan 0.000 0.431 112 I N -1.695 118.837 120.570 -0.063 0.000 2.286 112 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 112 I C 2.389 178.518 176.117 0.021 0.000 1.104 112 I CA 1.279 62.520 61.300 -0.098 0.000 1.397 112 I CB -0.266 37.505 38.000 -0.382 0.000 1.072 112 I HN 0.341 nan 8.210 nan 0.000 0.417 113 M N 1.060 120.778 119.600 0.196 0.000 2.159 113 M HA -0.203 4.277 4.480 -0.001 0.000 0.263 113 M C 2.182 178.552 176.300 0.117 0.000 1.063 113 M CA 1.806 57.262 55.300 0.260 0.000 1.110 113 M CB -0.425 32.351 32.600 0.294 0.000 1.374 113 M HN -0.026 nan 8.290 nan 0.000 0.411 114 K N -1.353 119.089 120.400 0.070 0.000 2.032 114 K HA -0.259 4.061 4.320 -0.001 0.000 0.209 114 K C 2.144 178.773 176.600 0.049 0.000 1.048 114 K CA 1.946 58.250 56.287 0.029 0.000 0.927 114 K CB -0.556 31.954 32.500 0.016 0.000 0.712 114 K HN 0.481 nan 8.250 nan 0.000 0.441 115 Y N 1.024 121.306 120.300 -0.029 0.000 2.242 115 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 115 Y C 1.805 177.702 175.900 -0.005 0.000 1.137 115 Y CA 1.173 59.255 58.100 -0.029 0.000 1.181 115 Y CB -0.156 38.270 38.460 -0.057 0.000 0.989 115 Y HN -0.151 nan 8.280 nan 0.000 0.527 116 V N 0.604 120.498 119.914 -0.034 0.000 2.287 116 V HA -0.349 3.770 4.120 -0.001 0.000 0.248 116 V C 2.455 178.503 176.094 -0.077 0.000 1.053 116 V CA 2.186 64.451 62.300 -0.058 0.000 1.027 116 V CB -0.816 31.069 31.823 0.102 0.000 0.646 116 V HN 0.450 nan 8.190 nan 0.000 0.447 117 L N 0.358 121.560 121.223 -0.034 0.000 2.017 117 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 117 L C 2.835 179.683 176.870 -0.037 0.000 1.073 117 L CA 2.199 57.019 54.840 -0.033 0.000 0.745 117 L CB -1.173 40.838 42.059 -0.079 0.000 0.894 117 L HN 0.599 nan 8.230 nan 0.000 0.432 118 T N -3.291 111.218 114.554 -0.075 0.000 2.812 118 T HA -0.142 4.207 4.350 -0.001 0.000 0.264 118 T C 2.090 176.750 174.700 -0.067 0.000 1.042 118 T CA 1.169 63.257 62.100 -0.021 0.000 1.140 118 T CB -0.554 68.308 68.868 -0.011 0.000 0.870 118 T HN 0.424 nan 8.240 nan 0.000 0.445 119 S N 1.881 117.401 115.700 -0.299 0.000 2.383 119 S HA -0.066 4.404 4.470 -0.001 0.000 0.227 119 S C 2.282 176.822 174.600 -0.101 0.000 1.026 119 S CA 0.247 58.248 58.200 -0.331 0.000 0.981 119 S CB -0.442 62.285 63.200 -0.788 0.000 0.818 119 S HN 0.294 nan 8.310 nan 0.000 0.472 120 R N 1.633 122.088 120.500 -0.076 0.000 2.066 120 R HA 0.177 4.517 4.340 -0.001 0.000 0.232 120 R C 2.696 179.025 176.300 0.048 0.000 1.131 120 R CA 1.444 57.548 56.100 0.007 0.000 0.955 120 R CB -1.588 28.724 30.300 0.020 0.000 0.851 120 R HN 0.516 nan 8.270 nan 0.000 0.432 121 S N 0.624 116.375 115.700 0.085 0.000 2.402 121 S HA -0.143 4.327 4.470 -0.001 0.000 0.229 121 S C 1.643 176.284 174.600 0.069 0.000 1.021 121 S CA 0.694 58.962 58.200 0.114 0.000 0.974 121 S CB -0.373 63.000 63.200 0.288 0.000 0.800 121 S HN 0.352 nan 8.310 nan 0.000 0.484 122 Y N 1.864 122.147 120.300 -0.028 0.000 2.384 122 Y HA -0.083 4.467 4.550 -0.000 0.000 0.289 122 Y C 1.646 177.496 175.900 -0.084 0.000 1.152 122 Y CA 0.985 59.054 58.100 -0.051 0.000 1.258 122 Y CB -0.119 38.313 38.460 -0.046 0.000 0.979 122 Y HN 0.155 nan 8.280 nan 0.000 0.549 123 L N 0.406 121.620 121.223 -0.015 0.000 2.552 123 L HA -0.005 4.335 4.340 -0.001 0.000 0.227 123 L C -0.012 176.711 176.870 -0.245 0.000 1.146 123 L CA 0.646 55.396 54.840 -0.150 0.000 0.858 123 L CB -0.676 41.349 42.059 -0.056 0.000 0.969 123 L HN 0.117 nan 8.230 nan 0.000 0.451 124 I N 0.275 120.737 120.570 -0.180 0.000 2.354 124 I HA 0.200 4.370 4.170 -0.001 0.000 0.292 124 I C -0.058 175.954 176.117 -0.175 0.000 0.989 124 I CA -1.032 60.183 61.300 -0.142 0.000 1.188 124 I CB 1.328 39.282 38.000 -0.077 0.000 1.342 124 I HN -0.120 nan 8.210 nan 0.000 0.457 125 D N 4.314 124.624 120.400 -0.150 0.000 2.371 125 D HA 0.189 4.828 4.640 -0.001 0.000 0.256 125 D C 0.097 176.308 176.300 -0.149 0.000 1.193 125 D CA 0.486 54.384 54.000 -0.170 0.000 0.881 125 D CB 1.062 41.764 40.800 -0.164 0.000 1.143 125 D HN 0.398 nan 8.370 nan 0.000 0.473 126 S N 2.466 118.063 115.700 -0.172 0.000 2.706 126 S HA 0.393 4.863 4.470 -0.001 0.000 0.270 126 S C -2.737 171.771 174.600 -0.154 0.000 1.163 126 S CA -1.233 56.870 58.200 -0.161 0.000 1.042 126 S CB 0.874 63.948 63.200 -0.209 0.000 1.079 126 S HN 0.016 nan 8.310 nan 0.000 0.474 127 P HA 0.245 nan 4.420 nan 0.000 0.268 127 P C -2.497 174.756 177.300 -0.078 0.000 1.208 127 P CA -0.712 62.356 63.100 -0.054 0.000 0.777 127 P CB -0.037 31.642 31.700 -0.035 0.000 0.875 128 P HA 0.084 nan 4.420 nan 0.000 0.276 128 P C -0.034 177.176 177.300 -0.150 0.000 1.252 128 P CA -0.107 62.927 63.100 -0.109 0.000 0.802 128 P CB 0.893 32.516 31.700 -0.128 0.000 1.035 129 T N -2.102 112.300 114.554 -0.253 0.000 3.409 129 T HA 0.215 4.564 4.350 -0.001 0.000 0.188 129 T C 0.662 175.119 174.700 -0.405 0.000 0.929 129 T CA 0.074 61.899 62.100 -0.459 0.000 1.184 129 T CB -0.870 67.498 68.868 -0.835 0.000 1.570 129 T HN 0.268 nan 8.240 nan 0.000 0.367 130 Y N 3.538 123.788 120.300 -0.084 0.000 2.295 130 Y HA 0.573 5.123 4.550 -0.001 0.000 0.331 130 Y C 0.886 176.714 175.900 -0.121 0.000 1.311 130 Y CA -0.560 57.481 58.100 -0.097 0.000 1.430 130 Y CB 0.557 38.977 38.460 -0.066 0.000 1.339 130 Y HN 0.741 nan 8.280 nan 0.000 0.552 131 N N -2.607 116.119 118.700 0.042 0.000 3.344 131 N HA 0.106 4.846 4.740 -0.001 0.000 0.296 131 N C -0.321 175.147 175.510 -0.070 0.000 1.571 131 N CA -0.699 52.304 53.050 -0.078 0.000 0.844 131 N CB 0.505 38.793 38.487 -0.333 0.000 1.718 131 N HN 0.410 nan 8.380 nan 0.000 0.589 132 V N -0.211 119.640 119.914 -0.105 0.000 2.568 132 V HA -0.184 3.936 4.120 -0.001 0.000 0.253 132 V C 1.140 177.193 176.094 -0.068 0.000 1.072 132 V CA 1.972 64.217 62.300 -0.093 0.000 1.084 132 V CB -0.935 30.789 31.823 -0.165 0.000 0.676 132 V HN 0.702 nan 8.190 nan 0.000 0.469 133 H N -3.006 116.012 119.070 -0.086 0.000 2.575 133 H HA 0.235 4.790 4.556 -0.001 0.000 0.267 133 H C -0.532 174.399 175.328 -0.663 0.000 0.966 133 H CA -0.040 55.844 56.048 -0.274 0.000 1.165 133 H CB 0.415 30.059 29.762 -0.197 0.000 1.433 133 H HN 0.476 nan 8.280 nan 0.000 0.544 134 Y N -0.231 119.983 120.300 -0.144 0.000 2.349 134 Y HA 0.297 4.847 4.550 -0.000 0.000 0.324 134 Y C 0.819 176.574 175.900 -0.241 0.000 1.005 134 Y CA -0.832 57.058 58.100 -0.349 0.000 1.240 134 Y CB 1.884 40.075 38.460 -0.449 0.000 1.117 134 Y HN 0.070 nan 8.280 nan 0.000 0.463 135 G N 2.393 111.099 108.800 -0.157 0.000 3.141 135 G HA2 0.123 4.082 3.960 -0.001 0.000 0.218 135 G HA3 0.123 4.082 3.960 -0.001 0.000 0.218 135 G C -0.416 174.465 174.900 -0.031 0.000 1.170 135 G CA 0.202 45.200 45.100 -0.170 0.000 0.769 135 G HN 0.567 nan 8.290 nan 0.000 0.546 136 Y N -2.344 118.103 120.300 0.244 0.000 2.581 136 Y HA 0.721 5.271 4.550 -0.001 0.000 0.345 136 Y C -0.137 175.978 175.900 0.357 0.000 1.036 136 Y CA -2.195 56.101 58.100 0.328 0.000 1.042 136 Y CB 1.087 39.658 38.460 0.185 0.000 1.289 136 Y HN -0.244 nan 8.280 nan 0.000 0.471 137 K N 1.873 122.489 120.400 0.360 0.000 2.401 137 K HA 0.504 4.824 4.320 -0.001 0.000 0.278 137 K C -0.451 176.227 176.600 0.129 0.000 1.018 137 K CA 0.189 56.523 56.287 0.078 0.000 0.981 137 K CB 0.672 33.163 32.500 -0.014 0.000 0.933 137 K HN 0.898 nan 8.250 nan 0.000 0.477 138 S N 1.116 116.783 115.700 -0.055 0.000 2.570 138 S HA 0.174 4.643 4.470 -0.001 0.000 0.270 138 S C 0.078 174.643 174.600 -0.058 0.000 1.149 138 S CA -1.111 57.066 58.200 -0.038 0.000 0.837 138 S CB 0.562 63.609 63.200 -0.255 0.000 1.124 138 S HN 0.886 nan 8.310 nan 0.000 0.465 139 W N 1.330 122.586 121.300 -0.072 0.000 2.374 139 W HA -0.108 4.551 4.660 -0.001 0.000 0.288 139 W C 1.627 178.123 176.519 -0.040 0.000 1.218 139 W CA 2.320 59.666 57.345 0.001 0.000 1.245 139 W CB -0.135 29.338 29.460 0.021 0.000 1.126 139 W HN 1.053 nan 8.180 nan 0.000 0.545 140 E N 0.781 120.916 120.200 -0.108 0.000 2.051 140 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 140 E C 2.213 178.580 176.600 -0.389 0.000 0.991 140 E CA 2.489 58.757 56.400 -0.219 0.000 0.799 140 E CB -0.737 28.804 29.700 -0.265 0.000 0.748 140 E HN 0.088 nan 8.360 nan 0.000 0.449 141 A N -0.171 122.286 122.820 -0.604 0.000 1.898 141 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 141 A C 2.210 179.561 177.584 -0.388 0.000 1.181 141 A CA 1.410 53.137 52.037 -0.517 0.000 0.620 141 A CB -0.956 17.765 19.000 -0.466 0.000 0.819 141 A HN 0.475 nan 8.150 nan 0.000 0.442 142 F N 2.045 121.683 119.950 -0.520 0.000 2.102 142 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 142 F C 2.635 178.097 175.800 -0.563 0.000 1.105 142 F CA 2.211 59.865 58.000 -0.577 0.000 1.239 142 F CB -0.414 38.110 39.000 -0.793 0.000 0.991 142 F HN 0.287 nan 8.300 nan 0.000 0.474 143 S N -0.742 114.432 115.700 -0.876 0.000 2.458 143 S HA -0.014 4.456 4.470 -0.001 0.000 0.223 143 S C 0.957 175.317 174.600 -0.400 0.000 1.019 143 S CA 0.101 57.836 58.200 -0.775 0.000 0.937 143 S CB -0.741 62.178 63.200 -0.468 0.000 0.788 143 S HN 0.388 nan 8.310 nan 0.000 0.511 144 N N 1.964 120.526 118.700 -0.231 0.000 2.415 144 N HA 0.231 4.971 4.740 -0.001 0.000 0.250 144 N C 0.439 175.960 175.510 0.017 0.000 1.127 144 N CA -0.142 52.910 53.050 0.004 0.000 0.945 144 N CB 0.452 39.091 38.487 0.253 0.000 1.196 144 N HN 0.391 nan 8.380 nan 0.000 0.499 145 L N 1.677 122.881 121.223 -0.033 0.000 2.551 145 L HA -0.008 4.331 4.340 -0.001 0.000 0.228 145 L C 1.754 178.711 176.870 0.146 0.000 1.153 145 L CA 0.303 55.148 54.840 0.008 0.000 0.851 145 L CB -0.060 41.996 42.059 -0.005 0.000 0.959 145 L HN 0.395 nan 8.230 nan 0.000 0.451 146 S N -1.506 114.249 115.700 0.092 0.000 2.522 146 S HA -0.002 4.468 4.470 -0.001 0.000 0.227 146 S C 0.350 174.945 174.600 -0.007 0.000 0.986 146 S CA 0.345 58.568 58.200 0.038 0.000 0.929 146 S CB -0.164 63.057 63.200 0.036 0.000 0.769 146 S HN 0.233 nan 8.310 nan 0.000 0.529 147 Y N 0.480 120.749 120.300 -0.052 0.000 2.299 147 Y HA 0.334 4.883 4.550 -0.000 0.000 0.326 147 Y C 0.173 175.985 175.900 -0.146 0.000 1.164 147 Y CA -1.115 56.826 58.100 -0.266 0.000 1.234 147 Y CB 0.312 38.613 38.460 -0.265 0.000 1.219 147 Y HN 0.051 nan 8.280 nan 0.000 0.497 148 Y N 0.881 121.229 120.300 0.079 0.000 2.480 148 Y HA 0.066 4.616 4.550 -0.001 0.000 0.338 148 Y C 1.055 176.987 175.900 0.054 0.000 1.220 148 Y CA 0.046 58.210 58.100 0.106 0.000 1.430 148 Y CB 0.450 38.933 38.460 0.039 0.000 1.311 148 Y HN 0.545 nan 8.280 nan 0.000 0.575 149 T N 3.174 117.853 114.554 0.208 0.000 2.788 149 T HA 0.424 4.774 4.350 -0.001 0.000 0.280 149 T C -0.328 174.431 174.700 0.100 0.000 0.984 149 T CA -0.715 61.433 62.100 0.080 0.000 0.972 149 T CB 0.335 69.211 68.868 0.013 0.000 1.039 149 T HN 0.436 nan 8.240 nan 0.000 0.530 150 R N 1.060 121.618 120.500 0.097 0.000 2.532 150 R HA 0.534 4.874 4.340 -0.001 0.000 0.297 150 R C 0.725 177.145 176.300 0.200 0.000 0.984 150 R CA -0.440 55.733 56.100 0.122 0.000 0.884 150 R CB 1.388 31.748 30.300 0.100 0.000 1.182 150 R HN 0.729 nan 8.270 nan 0.000 0.442 151 A N 3.858 126.841 122.820 0.272 0.000 1.969 151 A HA 0.054 4.373 4.320 -0.001 0.000 0.218 151 A C 0.724 178.437 177.584 0.215 0.000 1.169 151 A CA 1.092 53.332 52.037 0.338 0.000 0.635 151 A CB 0.137 19.532 19.000 0.658 0.000 0.810 151 A HN 0.489 nan 8.150 nan 0.000 0.445 152 L N 0.216 121.538 121.223 0.165 0.000 2.381 152 L HA 0.379 4.719 4.340 -0.001 0.000 0.268 152 L C -2.492 174.323 176.870 -0.093 0.000 0.997 152 L CA -2.591 52.209 54.840 -0.068 0.000 0.818 152 L CB 2.528 44.336 42.059 -0.417 0.000 1.310 152 L HN 0.012 nan 8.230 nan 0.000 0.416 153 P HA 0.141 nan 4.420 nan 0.000 0.270 153 P C -2.693 174.489 177.300 -0.197 0.000 1.223 153 P CA -1.232 61.631 63.100 -0.394 0.000 0.785 153 P CB -0.282 30.921 31.700 -0.829 0.000 0.923 154 P HA 0.017 nan 4.420 nan 0.000 0.272 154 P C -0.211 177.064 177.300 -0.042 0.000 1.223 154 P CA 0.002 63.086 63.100 -0.026 0.000 0.784 154 P CB 0.348 32.056 31.700 0.013 0.000 0.923 155 V N 2.076 121.993 119.914 0.004 0.000 2.529 155 V HA 0.115 4.235 4.120 -0.001 0.000 0.292 155 V C 1.273 177.372 176.094 0.009 0.000 1.028 155 V CA -0.009 62.291 62.300 -0.000 0.000 1.074 155 V CB -0.275 31.566 31.823 0.030 0.000 0.958 155 V HN 0.747 nan 8.190 nan 0.000 0.481 156 A N 4.083 126.901 122.820 -0.002 0.000 2.520 156 A HA 0.095 4.415 4.320 -0.001 0.000 0.235 156 A C 1.210 178.809 177.584 0.026 0.000 1.065 156 A CA -0.199 51.846 52.037 0.013 0.000 0.764 156 A CB -0.022 18.986 19.000 0.014 0.000 1.002 156 A HN 0.899 nan 8.150 nan 0.000 0.502 157 D N 0.611 121.030 120.400 0.032 0.000 2.144 157 D HA -0.137 4.502 4.640 -0.001 0.000 0.199 157 D C 1.029 177.349 176.300 0.034 0.000 0.984 157 D CA 1.869 55.890 54.000 0.036 0.000 0.834 157 D CB -0.094 40.727 40.800 0.035 0.000 0.955 157 D HN 0.778 nan 8.370 nan 0.000 0.465 158 D N -0.278 120.142 120.400 0.034 0.000 2.328 158 D HA -0.040 4.599 4.640 -0.001 0.000 0.226 158 D C 0.112 176.431 176.300 0.032 0.000 1.066 158 D CA -0.306 53.715 54.000 0.035 0.000 0.861 158 D CB -0.910 39.915 40.800 0.042 0.000 0.912 158 D HN 0.022 nan 8.370 nan 0.000 0.521 159 c N 2.347 120.963 118.600 0.027 0.000 2.662 159 c HA 0.153 4.723 4.570 -0.001 0.000 0.420 159 c C -0.323 173.782 174.090 0.025 0.000 1.314 159 c CA -0.988 55.354 56.329 0.022 0.000 1.963 159 c CB 1.116 43.635 42.510 0.014 0.000 2.686 159 c HN 0.295 nan 8.230 nan 0.000 0.609 160 P HA -0.028 nan 4.420 nan 0.000 0.221 160 P C 0.442 177.758 177.300 0.027 0.000 1.150 160 P CA 1.409 64.523 63.100 0.024 0.000 0.800 160 P CB -0.050 31.663 31.700 0.022 0.000 0.787 161 T N -5.891 108.680 114.554 0.029 0.000 2.901 161 T HA 0.471 4.821 4.350 -0.001 0.000 0.293 161 T C -2.423 172.302 174.700 0.043 0.000 1.084 161 T CA -2.187 59.934 62.100 0.036 0.000 1.008 161 T CB 2.054 70.946 68.868 0.040 0.000 1.170 161 T HN -0.347 nan 8.240 nan 0.000 0.509 162 P HA -0.027 nan 4.420 nan 0.000 0.216 162 P C 1.384 178.727 177.300 0.072 0.000 1.150 162 P CA 1.138 64.277 63.100 0.064 0.000 0.837 162 P CB -0.000 31.745 31.700 0.075 0.000 0.786 163 M N -2.504 117.140 119.600 0.073 0.000 2.561 163 M HA 0.272 4.751 4.480 -0.001 0.000 0.238 163 M C 1.365 177.684 176.300 0.031 0.000 1.131 163 M CA 0.727 56.067 55.300 0.067 0.000 1.046 163 M CB -0.723 31.925 32.600 0.081 0.000 1.532 163 M HN 0.110 nan 8.290 nan 0.000 0.497 164 G N 0.217 109.031 108.800 0.024 0.000 1.801 164 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.203 164 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.203 164 G C 0.335 175.238 174.900 0.006 0.000 2.274 164 G CA 0.299 45.401 45.100 0.002 0.000 1.481 164 G HN 0.341 nan 8.290 nan 0.000 0.471 165 V N -1.281 118.635 119.914 0.003 0.000 3.539 165 V HA 0.531 4.651 4.120 -0.001 0.000 0.262 165 V C 0.733 176.839 176.094 0.019 0.000 1.381 165 V CA 1.123 63.428 62.300 0.009 0.000 1.060 165 V CB 0.180 32.002 31.823 -0.001 0.000 0.842 165 V HN 0.409 nan 8.190 nan 0.000 0.445 166 K N 1.600 122.014 120.400 0.023 0.000 2.126 166 K HA 0.617 4.937 4.320 -0.001 0.000 0.257 166 K C 0.644 177.277 176.600 0.055 0.000 1.007 166 K CA 0.563 56.871 56.287 0.036 0.000 0.928 166 K CB 0.911 33.432 32.500 0.034 0.000 1.013 166 K HN 0.747 nan 8.250 nan 0.000 0.473 167 G N 1.175 110.015 108.800 0.066 0.000 2.760 167 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.246 167 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.246 167 G C -0.816 174.121 174.900 0.062 0.000 1.359 167 G CA -0.716 44.434 45.100 0.084 0.000 0.861 167 G HN 0.745 nan 8.290 nan 0.000 0.541 168 N N -0.254 118.482 118.700 0.060 0.000 2.381 168 N HA 0.371 5.111 4.740 -0.001 0.000 0.254 168 N C 1.518 177.048 175.510 0.034 0.000 1.264 168 N CA -0.040 53.032 53.050 0.038 0.000 0.942 168 N CB 0.780 39.281 38.487 0.024 0.000 1.190 168 N HN 0.728 nan 8.380 nan 0.000 0.495 169 K N -0.081 120.333 120.400 0.024 0.000 2.147 169 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 169 K C -0.319 176.294 176.600 0.022 0.000 1.049 169 K CA 1.265 57.566 56.287 0.022 0.000 0.936 169 K CB 0.254 32.764 32.500 0.016 0.000 0.722 169 K HN 0.492 nan 8.250 nan 0.000 0.446 170 E N 0.406 120.614 120.200 0.014 0.000 2.288 170 E HA 0.222 4.572 4.350 -0.001 0.000 0.268 170 E C -0.667 175.933 176.600 0.000 0.000 0.885 170 E CA -0.684 55.721 56.400 0.009 0.000 0.767 170 E CB 1.835 31.533 29.700 -0.002 0.000 1.220 170 E HN 0.089 nan 8.360 nan 0.000 0.427 171 L N 2.773 123.999 121.223 0.005 0.000 2.464 171 L HA 0.211 4.551 4.340 -0.001 0.000 0.264 171 L C -1.705 175.104 176.870 -0.103 0.000 1.199 171 L CA -1.428 53.400 54.840 -0.020 0.000 0.818 171 L CB -0.050 42.032 42.059 0.038 0.000 1.102 171 L HN 0.234 nan 8.230 nan 0.000 0.473 172 P HA -0.046 nan 4.420 nan 0.000 0.269 172 P C -0.856 176.346 177.300 -0.163 0.000 1.215 172 P CA -0.351 62.590 63.100 -0.264 0.000 0.780 172 P CB 0.345 31.738 31.700 -0.512 0.000 0.898 173 D N 1.105 121.436 120.400 -0.114 0.000 2.581 173 D HA -0.076 4.564 4.640 -0.001 0.000 0.238 173 D C 1.293 177.560 176.300 -0.056 0.000 1.145 173 D CA 0.517 54.476 54.000 -0.068 0.000 0.866 173 D CB 0.582 41.349 40.800 -0.055 0.000 1.151 173 D HN 0.283 nan 8.370 nan 0.000 0.500 174 S N 3.967 119.652 115.700 -0.026 0.000 2.402 174 S HA -0.211 4.259 4.470 -0.001 0.000 0.229 174 S C 1.764 176.370 174.600 0.011 0.000 1.021 174 S CA 0.973 59.175 58.200 0.004 0.000 0.974 174 S CB -0.087 63.123 63.200 0.017 0.000 0.800 174 S HN 0.619 nan 8.310 nan 0.000 0.484 175 K N 1.322 121.722 120.400 -0.001 0.000 2.097 175 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 175 K C 2.314 178.912 176.600 -0.003 0.000 1.049 175 K CA 1.581 57.869 56.287 0.001 0.000 0.933 175 K CB -0.230 32.267 32.500 -0.005 0.000 0.717 175 K HN 0.595 nan 8.250 nan 0.000 0.442 176 E N -0.072 120.117 120.200 -0.018 0.000 2.072 176 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 176 E C 1.855 178.445 176.600 -0.016 0.000 0.985 176 E CA 1.172 57.556 56.400 -0.026 0.000 0.801 176 E CB 0.169 29.840 29.700 -0.049 0.000 0.750 176 E HN 0.117 nan 8.360 nan 0.000 0.452 177 V N 1.275 121.183 119.914 -0.010 0.000 2.287 177 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 177 V C 2.421 178.543 176.094 0.047 0.000 1.053 177 V CA 1.694 64.015 62.300 0.036 0.000 1.027 177 V CB -0.619 31.255 31.823 0.086 0.000 0.646 177 V HN 0.350 nan 8.190 nan 0.000 0.447 178 L N 0.385 121.636 121.223 0.046 0.000 1.971 178 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 178 L C 2.468 179.356 176.870 0.030 0.000 1.072 178 L CA 2.201 57.071 54.840 0.048 0.000 0.758 178 L CB -0.751 41.336 42.059 0.047 0.000 0.889 178 L HN 0.377 nan 8.230 nan 0.000 0.433 179 E N -0.753 119.456 120.200 0.016 0.000 2.106 179 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 179 E C 2.167 178.770 176.600 0.005 0.000 0.984 179 E CA 1.272 57.677 56.400 0.008 0.000 0.806 179 E CB -0.067 29.633 29.700 0.001 0.000 0.750 179 E HN 0.532 nan 8.360 nan 0.000 0.458 180 K N 0.309 120.711 120.400 0.003 0.000 2.103 180 K HA -0.074 4.245 4.320 -0.001 0.000 0.204 180 K C 2.041 178.641 176.600 0.001 0.000 1.052 180 K CA 1.512 57.797 56.287 -0.003 0.000 0.945 180 K CB 0.348 32.841 32.500 -0.011 0.000 0.722 180 K HN 0.127 nan 8.250 nan 0.000 0.443 181 V N -3.098 116.822 119.914 0.010 0.000 3.451 181 V HA 0.183 4.303 4.120 -0.001 0.000 0.288 181 V C 1.142 177.239 176.094 0.004 0.000 1.502 181 V CA -0.077 62.226 62.300 0.006 0.000 1.026 181 V CB -0.034 31.797 31.823 0.014 0.000 0.840 181 V HN 0.060 nan 8.190 nan 0.000 0.437 182 L N -0.068 121.164 121.223 0.014 0.000 2.467 182 L HA 0.425 4.764 4.340 -0.001 0.000 0.213 182 L C 0.923 177.810 176.870 0.028 0.000 1.053 182 L CA 0.179 55.030 54.840 0.018 0.000 0.847 182 L CB 0.216 42.298 42.059 0.038 0.000 1.075 182 L HN 0.181 nan 8.230 nan 0.000 0.479 183 L N 1.633 122.871 121.223 0.026 0.000 2.453 183 L HA 0.100 4.440 4.340 -0.001 0.000 0.272 183 L C 0.757 177.641 176.870 0.023 0.000 1.182 183 L CA 0.030 54.885 54.840 0.026 0.000 0.858 183 L CB 0.473 42.542 42.059 0.018 0.000 1.120 183 L HN 0.207 nan 8.230 nan 0.000 0.474 184 R N 2.258 122.779 120.500 0.034 0.000 2.449 184 R HA 0.042 4.381 4.340 -0.001 0.000 0.296 184 R C 0.422 176.742 176.300 0.034 0.000 1.047 184 R CA -0.204 55.921 56.100 0.041 0.000 1.018 184 R CB 0.682 31.028 30.300 0.077 0.000 0.962 184 R HN 0.558 nan 8.270 nan 0.000 0.428 185 R N 2.367 122.883 120.500 0.026 0.000 2.009 185 R HA 0.123 4.463 4.340 -0.001 0.000 0.213 185 R C 0.144 176.469 176.300 0.042 0.000 1.297 185 R CA 0.906 57.021 56.100 0.025 0.000 1.008 185 R CB -0.159 30.148 30.300 0.012 0.000 0.852 185 R HN 0.656 nan 8.270 nan 0.000 0.475 186 E N 0.167 120.391 120.200 0.039 0.000 2.204 186 E HA 0.161 4.511 4.350 -0.001 0.000 0.276 186 E C -1.101 175.554 176.600 0.092 0.000 0.974 186 E CA -0.719 55.721 56.400 0.066 0.000 0.815 186 E CB 0.813 30.538 29.700 0.041 0.000 1.119 186 E HN 0.085 nan 8.360 nan 0.000 0.393 187 F N 4.803 124.748 119.950 -0.008 0.000 2.602 187 F HA 0.112 4.639 4.527 -0.001 0.000 0.385 187 F C -0.465 175.325 175.800 -0.018 0.000 1.063 187 F CA 0.204 58.197 58.000 -0.012 0.000 1.233 187 F CB 0.300 39.289 39.000 -0.017 0.000 1.067 187 F HN 0.346 nan 8.300 nan 0.000 0.564 188 I N 9.278 129.419 120.570 -0.715 0.000 2.330 188 I HA 0.260 4.430 4.170 -0.001 0.000 0.286 188 I C -2.102 173.425 176.117 -0.983 0.000 1.025 188 I CA -2.196 58.730 61.300 -0.624 0.000 1.197 188 I CB 1.057 38.861 38.000 -0.328 0.000 1.358 188 I HN 0.433 nan 8.210 nan 0.000 0.467 189 P HA 0.045 nan 4.420 nan 0.000 0.274 189 P C -0.769 176.346 177.300 -0.308 0.000 1.231 189 P CA -0.271 62.498 63.100 -0.552 0.000 0.790 189 P CB 0.872 32.482 31.700 -0.150 0.000 0.951 190 D N 2.898 123.176 120.400 -0.204 0.000 2.371 190 D HA 0.043 4.683 4.640 -0.001 0.000 0.256 190 D C -1.188 175.016 176.300 -0.160 0.000 1.193 190 D CA -1.975 51.907 54.000 -0.197 0.000 0.881 190 D CB 0.355 41.041 40.800 -0.190 0.000 1.143 190 D HN 0.179 nan 8.370 nan 0.000 0.473 191 P HA -0.135 nan 4.420 nan 0.000 0.223 191 P C 0.841 178.058 177.300 -0.138 0.000 1.151 191 P CA 0.877 63.896 63.100 -0.134 0.000 0.787 191 P CB 0.299 31.920 31.700 -0.130 0.000 0.788 192 Q N -0.774 118.909 119.800 -0.196 0.000 2.472 192 Q HA 0.127 4.467 4.340 -0.001 0.000 0.208 192 Q C 1.162 177.109 176.000 -0.089 0.000 0.958 192 Q CA 0.619 56.293 55.803 -0.214 0.000 0.932 192 Q CB -0.443 28.054 28.738 -0.402 0.000 1.007 192 Q HN 0.286 nan 8.270 nan 0.000 0.508 193 G N 0.814 109.577 108.800 -0.063 0.000 2.143 193 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.248 193 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.248 193 G C 0.000 174.907 174.900 0.011 0.000 0.991 193 G CA 0.251 45.352 45.100 0.001 0.000 0.689 193 G HN 0.296 nan 8.290 nan 0.000 0.522 194 S N 0.885 116.568 115.700 -0.028 0.000 2.558 194 S HA 0.389 4.859 4.470 -0.001 0.000 0.288 194 S C 0.774 175.382 174.600 0.014 0.000 1.318 194 S CA 0.610 58.735 58.200 -0.125 0.000 1.056 194 S CB 0.774 63.786 63.200 -0.312 0.000 0.853 194 S HN 1.025 nan 8.310 nan 0.000 0.505 195 N N 1.334 120.093 118.700 0.099 0.000 2.815 195 N HA 0.385 5.125 4.740 -0.001 0.000 0.315 195 N C 0.463 176.122 175.510 0.248 0.000 1.320 195 N CA -0.938 52.216 53.050 0.174 0.000 0.846 195 N CB -0.021 38.568 38.487 0.171 0.000 1.344 195 N HN 0.266 nan 8.380 nan 0.000 0.593 196 M N -0.343 119.385 119.600 0.213 0.000 2.419 196 M HA 0.114 4.593 4.480 -0.001 0.000 0.264 196 M C 1.397 177.869 176.300 0.287 0.000 1.082 196 M CA 0.883 56.242 55.300 0.097 0.000 1.119 196 M CB -1.015 31.533 32.600 -0.087 0.000 1.398 196 M HN 0.518 nan 8.290 nan 0.000 0.453 197 M N -0.902 118.968 119.600 0.449 0.000 2.117 197 M HA -0.185 4.295 4.480 -0.001 0.000 0.262 197 M C 2.264 179.036 176.300 0.787 0.000 1.065 197 M CA 1.564 57.239 55.300 0.625 0.000 1.114 197 M CB -1.468 31.427 32.600 0.492 0.000 1.361 197 M HN 0.212 nan 8.290 nan 0.000 0.408 198 F N 1.146 121.397 119.950 0.503 0.000 2.113 198 F HA -0.109 4.418 4.527 -0.001 0.000 0.297 198 F C 2.373 178.339 175.800 0.277 0.000 1.103 198 F CA 1.741 59.891 58.000 0.248 0.000 1.248 198 F CB -0.419 38.620 39.000 0.066 0.000 0.999 198 F HN 0.114 nan 8.300 nan 0.000 0.475 199 A N 0.157 123.127 122.820 0.250 0.000 1.883 199 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 199 A C 2.042 179.582 177.584 -0.073 0.000 1.186 199 A CA 1.950 54.004 52.037 0.030 0.000 0.624 199 A CB -1.551 17.378 19.000 -0.118 0.000 0.822 199 A HN 0.436 nan 8.150 nan 0.000 0.444 200 F N -1.807 118.253 119.950 0.183 0.000 2.325 200 F HA 0.036 4.562 4.527 -0.001 0.000 0.299 200 F C 1.879 177.746 175.800 0.112 0.000 1.090 200 F CA 0.472 58.580 58.000 0.180 0.000 1.392 200 F CB -0.696 38.456 39.000 0.253 0.000 1.053 200 F HN 0.342 nan 8.300 nan 0.000 0.521 201 F N 0.654 120.645 119.950 0.068 0.000 2.113 201 F HA -0.102 4.424 4.527 -0.000 0.000 0.297 201 F C 2.390 177.981 175.800 -0.348 0.000 1.103 201 F CA 1.318 59.065 58.000 -0.423 0.000 1.248 201 F CB -0.565 38.240 39.000 -0.325 0.000 0.999 201 F HN -0.083 nan 8.300 nan 0.000 0.475 202 A N -0.085 122.670 122.820 -0.109 0.000 1.892 202 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 202 A C 2.233 179.662 177.584 -0.259 0.000 1.188 202 A CA 2.077 54.044 52.037 -0.116 0.000 0.631 202 A CB -1.165 17.901 19.000 0.109 0.000 0.822 202 A HN 0.605 nan 8.150 nan 0.000 0.447 203 Q N -1.509 118.165 119.800 -0.209 0.000 2.050 203 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 203 Q C 2.196 177.890 176.000 -0.510 0.000 0.980 203 Q CA 1.673 57.257 55.803 -0.365 0.000 0.840 203 Q CB -0.346 28.253 28.738 -0.232 0.000 0.898 203 Q HN 0.891 nan 8.270 nan 0.000 0.424 204 H N -0.479 118.304 119.070 -0.478 0.000 2.293 204 H HA -0.178 4.378 4.556 -0.001 0.000 0.300 204 H C 2.013 177.130 175.328 -0.351 0.000 1.082 204 H CA 1.867 57.620 56.048 -0.490 0.000 1.308 204 H CB -0.383 29.104 29.762 -0.459 0.000 1.375 204 H HN 0.347 nan 8.280 nan 0.000 0.495 205 F N 2.109 121.629 119.950 -0.716 0.000 2.069 205 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 205 F C 2.816 178.000 175.800 -1.026 0.000 1.113 205 F CA 2.618 60.109 58.000 -0.848 0.000 1.214 205 F CB -0.942 37.469 39.000 -0.982 0.000 0.978 205 F HN 0.265 nan 8.300 nan 0.000 0.474 206 T N -2.792 111.025 114.554 -1.228 0.000 2.915 206 T HA -0.198 4.152 4.350 -0.001 0.000 0.269 206 T C 1.506 175.280 174.700 -1.543 0.000 1.071 206 T CA 1.639 62.627 62.100 -1.854 0.000 1.132 206 T CB -0.914 67.172 68.868 -1.303 0.000 0.878 206 T HN 0.393 nan 8.240 nan 0.000 0.479 207 H N 1.772 120.265 119.070 -0.962 0.000 2.556 207 H HA 0.131 4.687 4.556 -0.001 0.000 0.268 207 H C 2.405 177.339 175.328 -0.656 0.000 0.996 207 H CA 0.825 56.539 56.048 -0.556 0.000 1.157 207 H CB -0.296 29.425 29.762 -0.067 0.000 1.355 207 H HN 0.767 nan 8.280 nan 0.000 0.597 208 Q N -0.020 119.195 119.800 -0.975 0.000 2.245 208 Q HA -0.078 4.262 4.340 -0.001 0.000 0.201 208 Q C 0.769 176.389 176.000 -0.634 0.000 0.955 208 Q CA 1.177 56.461 55.803 -0.865 0.000 0.870 208 Q CB -0.145 27.881 28.738 -1.186 0.000 0.945 208 Q HN 0.545 nan 8.270 nan 0.000 0.461 209 F N -2.528 117.001 119.950 -0.702 0.000 2.746 209 F HA 0.473 5.000 4.527 -0.000 0.000 0.313 209 F C -0.281 175.248 175.800 -0.451 0.000 1.095 209 F CA -1.247 56.396 58.000 -0.595 0.000 1.224 209 F CB 0.334 38.969 39.000 -0.609 0.000 1.060 209 F HN -0.216 nan 8.300 nan 0.000 0.584 210 F N 3.503 123.241 119.950 -0.353 0.000 2.303 210 F HA 0.519 5.046 4.527 -0.001 0.000 0.368 210 F C -0.009 175.594 175.800 -0.329 0.000 1.105 210 F CA -1.651 56.193 58.000 -0.261 0.000 1.153 210 F CB 0.831 39.549 39.000 -0.469 0.000 1.362 210 F HN -0.050 nan 8.300 nan 0.000 0.511 211 K N 2.112 122.514 120.400 0.004 0.000 2.920 211 K HA 0.210 4.530 4.320 -0.001 0.000 0.175 211 K C -0.449 176.087 176.600 -0.108 0.000 1.099 211 K CA -0.319 55.898 56.287 -0.117 0.000 0.939 211 K CB 1.188 33.579 32.500 -0.181 0.000 1.148 211 K HN 0.346 nan 8.250 nan 0.000 0.613 212 T N 1.444 115.940 114.554 -0.096 0.000 2.902 212 T HA -0.042 4.307 4.350 -0.001 0.000 0.301 212 T C 0.119 174.551 174.700 -0.447 0.000 1.012 212 T CA 0.320 62.291 62.100 -0.216 0.000 1.151 212 T CB 0.391 69.080 68.868 -0.298 0.000 0.946 212 T HN 0.255 nan 8.240 nan 0.000 0.542 213 D N 1.744 121.974 120.400 -0.284 0.000 2.483 213 D HA 0.040 4.680 4.640 -0.001 0.000 0.220 213 D C 1.214 177.406 176.300 -0.180 0.000 1.173 213 D CA -0.303 53.574 54.000 -0.206 0.000 0.964 213 D CB 0.078 40.790 40.800 -0.146 0.000 1.046 213 D HN 0.550 nan 8.370 nan 0.000 0.517 214 H N 2.203 121.269 119.070 -0.007 0.000 2.491 214 H HA -0.064 4.492 4.556 -0.000 0.000 0.290 214 H C 1.373 176.686 175.328 -0.026 0.000 1.050 214 H CA 0.825 56.874 56.048 0.001 0.000 1.309 214 H CB 0.498 30.262 29.762 0.002 0.000 1.392 214 H HN 0.401 nan 8.280 nan 0.000 0.554 215 K N 0.641 121.061 120.400 0.033 0.000 2.097 215 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 215 K C 2.346 178.885 176.600 -0.102 0.000 1.049 215 K CA 1.100 57.367 56.287 -0.033 0.000 0.933 215 K CB 0.137 32.600 32.500 -0.063 0.000 0.717 215 K HN 0.230 nan 8.250 nan 0.000 0.442 216 R N -0.641 119.746 120.500 -0.188 0.000 2.105 216 R HA 0.159 4.499 4.340 -0.001 0.000 0.214 216 R C 0.637 176.828 176.300 -0.182 0.000 1.091 216 R CA 0.685 56.543 56.100 -0.403 0.000 1.007 216 R CB 0.602 30.346 30.300 -0.927 0.000 0.912 216 R HN 0.267 nan 8.270 nan 0.000 0.450 217 G N -0.478 108.350 108.800 0.046 0.000 2.353 217 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.308 217 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.308 217 G C -2.584 172.457 174.900 0.235 0.000 1.418 217 G CA -0.924 44.299 45.100 0.205 0.000 0.966 217 G HN -0.212 nan 8.290 nan 0.000 0.638 218 P HA 0.024 nan 4.420 nan 0.000 0.222 218 P C 1.615 179.011 177.300 0.159 0.000 1.147 218 P CA 1.644 64.815 63.100 0.117 0.000 0.790 218 P CB 0.033 31.767 31.700 0.056 0.000 0.780 219 G N -1.836 107.036 108.800 0.119 0.000 2.920 219 G HA2 0.096 4.056 3.960 -0.001 0.000 0.208 219 G HA3 0.096 4.056 3.960 -0.001 0.000 0.208 219 G C -0.023 174.741 174.900 -0.227 0.000 1.159 219 G CA -0.091 45.009 45.100 0.000 0.000 0.784 219 G HN 0.160 nan 8.290 nan 0.000 0.535 220 F N -0.667 119.262 119.950 -0.036 0.000 2.522 220 F HA 0.619 5.146 4.527 -0.000 0.000 0.324 220 F C 0.334 175.840 175.800 -0.490 0.000 1.077 220 F CA -0.779 57.043 58.000 -0.296 0.000 0.944 220 F CB 2.565 41.384 39.000 -0.300 0.000 1.175 220 F HN -0.179 nan 8.300 nan 0.000 0.468 221 T N 1.145 115.401 114.554 -0.497 0.000 2.907 221 T HA 0.411 4.761 4.350 -0.001 0.000 0.292 221 T C 0.596 175.095 174.700 -0.335 0.000 1.043 221 T CA -0.615 61.107 62.100 -0.630 0.000 1.003 221 T CB 1.236 69.434 68.868 -1.117 0.000 1.084 221 T HN 0.709 nan 8.240 nan 0.000 0.483 222 R N 1.806 122.141 120.500 -0.274 0.000 2.334 222 R HA 0.219 4.558 4.340 -0.001 0.000 0.216 222 R C 1.213 177.383 176.300 -0.218 0.000 0.905 222 R CA -0.024 55.953 56.100 -0.204 0.000 1.064 222 R CB 0.417 30.620 30.300 -0.162 0.000 1.046 222 R HN 0.604 nan 8.270 nan 0.000 0.508 223 G N 1.298 109.923 108.800 -0.292 0.000 3.161 223 G HA2 0.194 4.154 3.960 -0.001 0.000 0.293 223 G HA3 0.194 4.154 3.960 -0.001 0.000 0.293 223 G C 0.733 175.411 174.900 -0.369 0.000 0.893 223 G CA -0.402 44.523 45.100 -0.291 0.000 1.756 223 G HN 0.133 nan 8.290 nan 0.000 0.549 224 L N 1.544 122.640 121.223 -0.212 0.000 2.465 224 L HA 0.048 4.388 4.340 -0.001 0.000 0.224 224 L C 2.654 179.539 176.870 0.025 0.000 1.145 224 L CA 0.749 55.534 54.840 -0.092 0.000 0.834 224 L CB 0.072 42.108 42.059 -0.038 0.000 0.944 224 L HN 0.519 nan 8.230 nan 0.000 0.451 225 G N -2.125 106.651 108.800 -0.040 0.000 2.534 225 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.217 225 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.217 225 G C 0.626 175.569 174.900 0.072 0.000 1.128 225 G CA -0.106 45.003 45.100 0.015 0.000 0.784 225 G HN 0.570 nan 8.290 nan 0.000 0.542 226 H N -0.413 118.623 119.070 -0.057 0.000 2.713 226 H HA -0.167 4.389 4.556 -0.000 0.000 0.311 226 H C 1.150 176.420 175.328 -0.098 0.000 1.175 226 H CA 1.092 57.105 56.048 -0.057 0.000 1.143 226 H CB -1.365 28.360 29.762 -0.062 0.000 1.434 226 H HN 0.802 nan 8.280 nan 0.000 0.418 227 G N -1.676 107.099 108.800 -0.042 0.000 2.399 227 G HA2 0.209 4.169 3.960 -0.001 0.000 0.256 227 G HA3 0.209 4.169 3.960 -0.001 0.000 0.256 227 G C -0.817 174.077 174.900 -0.009 0.000 1.236 227 G CA -0.257 44.772 45.100 -0.119 0.000 0.914 227 G HN 0.158 nan 8.290 nan 0.000 0.482 228 V N 2.466 122.386 119.914 0.011 0.000 2.162 228 V HA 0.275 4.394 4.120 -0.001 0.000 0.255 228 V C 0.448 176.575 176.094 0.056 0.000 1.304 228 V CA 0.792 63.127 62.300 0.060 0.000 1.198 228 V CB 0.194 32.113 31.823 0.159 0.000 1.333 228 V HN 0.753 nan 8.190 nan 0.000 0.493 229 D N 2.556 122.971 120.400 0.024 0.000 2.398 229 D HA 0.061 4.701 4.640 -0.001 0.000 0.210 229 D C 0.872 177.244 176.300 0.119 0.000 1.094 229 D CA -0.476 53.560 54.000 0.060 0.000 0.839 229 D CB 0.255 41.077 40.800 0.036 0.000 0.963 229 D HN 0.210 nan 8.370 nan 0.000 0.506 230 L N 0.774 122.057 121.223 0.100 0.000 3.865 230 L HA -0.305 4.035 4.340 -0.001 0.000 0.408 230 L C 0.973 178.010 176.870 0.277 0.000 1.209 230 L CA 0.849 55.828 54.840 0.232 0.000 0.940 230 L CB -2.972 39.237 42.059 0.250 0.000 1.971 230 L HN 0.396 nan 8.230 nan 0.000 0.899 231 N N -0.912 117.874 118.700 0.143 0.000 2.364 231 N HA -0.196 4.543 4.740 -0.001 0.000 0.183 231 N C 1.679 177.200 175.510 0.018 0.000 1.022 231 N CA 1.648 54.745 53.050 0.078 0.000 0.883 231 N CB -0.308 38.165 38.487 -0.023 0.000 0.965 231 N HN 0.726 nan 8.380 nan 0.000 0.438 232 H N -0.678 118.236 119.070 -0.261 0.000 2.546 232 H HA 0.123 4.678 4.556 -0.001 0.000 0.277 232 H C 1.416 176.590 175.328 -0.255 0.000 1.004 232 H CA 0.656 56.477 56.048 -0.380 0.000 1.231 232 H CB -0.347 29.140 29.762 -0.460 0.000 1.382 232 H HN 0.428 nan 8.280 nan 0.000 0.580 233 I N -0.943 119.405 120.570 -0.371 0.000 3.039 233 I HA -0.056 4.114 4.170 -0.001 0.000 0.270 233 I C 1.221 177.089 176.117 -0.415 0.000 1.150 233 I CA 0.245 61.242 61.300 -0.506 0.000 1.448 233 I CB 0.076 37.568 38.000 -0.847 0.000 1.197 233 I HN -0.017 nan 8.210 nan 0.000 0.450 234 Y N 1.226 121.520 120.300 -0.011 0.000 2.458 234 Y HA 0.469 5.018 4.550 -0.000 0.000 0.254 234 Y C 1.120 177.036 175.900 0.026 0.000 1.120 234 Y CA 0.012 58.142 58.100 0.048 0.000 1.282 234 Y CB 0.068 38.605 38.460 0.129 0.000 1.109 234 Y HN 0.127 nan 8.280 nan 0.000 0.526 235 G N 0.837 109.692 108.800 0.093 0.000 2.719 235 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.686 235 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.686 235 G C 0.144 175.059 174.900 0.026 0.000 1.201 235 G CA -0.111 45.006 45.100 0.028 0.000 0.768 235 G HN 0.169 nan 8.290 nan 0.000 0.629 236 E N -0.276 119.907 120.200 -0.029 0.000 2.106 236 E HA 0.082 4.432 4.350 -0.001 0.000 0.192 236 E C 1.850 178.433 176.600 -0.029 0.000 0.984 236 E CA 2.254 58.630 56.400 -0.040 0.000 0.806 236 E CB 0.027 29.680 29.700 -0.077 0.000 0.750 236 E HN 1.195 nan 8.360 nan 0.000 0.458 237 T N -2.188 112.345 114.554 -0.034 0.000 2.940 237 T HA 0.277 4.627 4.350 -0.001 0.000 0.288 237 T C 0.947 175.606 174.700 -0.067 0.000 1.033 237 T CA -0.657 61.414 62.100 -0.047 0.000 1.033 237 T CB 1.283 70.120 68.868 -0.052 0.000 1.079 237 T HN 0.033 nan 8.240 nan 0.000 0.496 238 L N 1.135 122.290 121.223 -0.114 0.000 2.083 238 L HA 0.028 4.368 4.340 -0.001 0.000 0.209 238 L C 2.191 178.878 176.870 -0.305 0.000 1.083 238 L CA 2.181 56.870 54.840 -0.252 0.000 0.752 238 L CB -1.019 40.869 42.059 -0.285 0.000 0.899 238 L HN 0.999 nan 8.230 nan 0.000 0.433 239 D N -0.899 119.406 120.400 -0.158 0.000 2.104 239 D HA -0.268 4.372 4.640 -0.001 0.000 0.194 239 D C 2.394 178.687 176.300 -0.012 0.000 0.994 239 D CA 1.524 55.482 54.000 -0.071 0.000 0.830 239 D CB -0.090 40.688 40.800 -0.037 0.000 0.959 239 D HN 0.263 nan 8.370 nan 0.000 0.452 240 R N -0.149 120.340 120.500 -0.020 0.000 2.066 240 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 240 R C 2.464 178.784 176.300 0.033 0.000 1.131 240 R CA 1.453 57.558 56.100 0.008 0.000 0.955 240 R CB -0.286 30.010 30.300 -0.008 0.000 0.851 240 R HN 0.321 nan 8.270 nan 0.000 0.432 241 Q N -0.236 119.577 119.800 0.022 0.000 2.077 241 Q HA -0.240 4.100 4.340 -0.001 0.000 0.206 241 Q C 1.642 177.693 176.000 0.086 0.000 0.989 241 Q CA 1.938 57.776 55.803 0.057 0.000 0.853 241 Q CB -0.152 28.614 28.738 0.048 0.000 0.907 241 Q HN 0.667 nan 8.270 nan 0.000 0.418 242 H N -0.630 118.438 119.070 -0.005 0.000 2.423 242 H HA -0.036 4.520 4.556 -0.001 0.000 0.297 242 H C 1.912 177.321 175.328 0.134 0.000 1.075 242 H CA 0.845 56.959 56.048 0.109 0.000 1.342 242 H CB 0.335 30.231 29.762 0.224 0.000 1.395 242 H HN 0.205 nan 8.280 nan 0.000 0.530 243 K N 0.535 121.048 120.400 0.189 0.000 2.217 243 K HA -0.038 4.282 4.320 -0.001 0.000 0.202 243 K C 1.737 178.379 176.600 0.070 0.000 1.051 243 K CA 0.560 56.920 56.287 0.122 0.000 0.952 243 K CB 0.246 32.795 32.500 0.082 0.000 0.736 243 K HN 0.245 nan 8.250 nan 0.000 0.453 244 L N 0.249 121.495 121.223 0.037 0.000 2.509 244 L HA 0.032 4.372 4.340 -0.001 0.000 0.222 244 L C 0.733 177.573 176.870 -0.050 0.000 1.123 244 L CA 0.170 55.017 54.840 0.011 0.000 0.856 244 L CB 0.063 42.139 42.059 0.028 0.000 0.985 244 L HN 0.015 nan 8.230 nan 0.000 0.456 245 R N -0.168 120.222 120.500 -0.183 0.000 2.457 245 R HA 0.145 4.484 4.340 -0.001 0.000 0.284 245 R C 0.727 176.824 176.300 -0.338 0.000 1.024 245 R CA -0.468 55.373 56.100 -0.431 0.000 1.025 245 R CB 1.472 31.131 30.300 -1.069 0.000 1.063 245 R HN -0.091 nan 8.270 nan 0.000 0.493 246 L N 2.550 123.641 121.223 -0.221 0.000 2.270 246 L HA 0.131 4.471 4.340 -0.001 0.000 0.210 246 L C 0.188 177.091 176.870 0.055 0.000 1.104 246 L CA 1.193 56.012 54.840 -0.034 0.000 0.804 246 L CB -0.162 41.928 42.059 0.051 0.000 0.937 246 L HN 0.827 nan 8.230 nan 0.000 0.450 247 F N -0.697 119.245 119.950 -0.014 0.000 3.034 247 F HA -0.312 4.215 4.527 -0.001 0.000 0.286 247 F C 0.716 176.524 175.800 0.013 0.000 0.804 247 F CA 1.233 59.211 58.000 -0.036 0.000 1.161 247 F CB -1.568 37.380 39.000 -0.087 0.000 1.317 247 F HN 0.197 nan 8.300 nan 0.000 0.453 248 K N 0.594 121.081 120.400 0.145 0.000 2.443 248 K HA 0.408 4.727 4.320 -0.001 0.000 0.252 248 K C 0.111 176.795 176.600 0.141 0.000 0.933 248 K CA -0.445 55.923 56.287 0.136 0.000 0.792 248 K CB 1.225 33.796 32.500 0.117 0.000 1.185 248 K HN 0.016 nan 8.250 nan 0.000 0.425 249 D N 3.052 123.539 120.400 0.146 0.000 2.983 249 D HA -0.195 4.444 4.640 -0.001 0.000 0.225 249 D C 0.646 177.058 176.300 0.187 0.000 1.174 249 D CA 1.918 56.012 54.000 0.157 0.000 0.831 249 D CB -1.242 39.640 40.800 0.135 0.000 1.104 249 D HN 1.078 nan 8.370 nan 0.000 0.421 250 G N -0.770 108.156 108.800 0.210 0.000 2.184 250 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.264 250 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.264 250 G C 0.394 175.561 174.900 0.445 0.000 0.975 250 G CA 0.872 46.158 45.100 0.309 0.000 0.642 250 G HN 0.502 nan 8.290 nan 0.000 0.536 251 K N -0.425 120.160 120.400 0.309 0.000 2.090 251 K HA 0.669 4.989 4.320 -0.001 0.000 0.250 251 K C 0.634 177.407 176.600 0.289 0.000 1.004 251 K CA -0.639 55.872 56.287 0.374 0.000 0.919 251 K CB 0.938 33.605 32.500 0.279 0.000 1.045 251 K HN 0.163 nan 8.250 nan 0.000 0.471 252 L N 2.038 123.445 121.223 0.307 0.000 2.357 252 L HA 0.257 4.597 4.340 -0.001 0.000 0.273 252 L C 0.284 177.280 176.870 0.210 0.000 1.080 252 L CA -0.535 54.399 54.840 0.156 0.000 0.803 252 L CB 0.955 43.071 42.059 0.094 0.000 1.174 252 L HN 0.435 nan 8.230 nan 0.000 0.443 253 K N 1.869 122.335 120.400 0.110 0.000 2.380 253 K HA 0.253 4.573 4.320 -0.001 0.000 0.267 253 K C -1.115 175.591 176.600 0.177 0.000 0.990 253 K CA 0.350 56.683 56.287 0.077 0.000 0.946 253 K CB 0.498 32.999 32.500 0.001 0.000 0.937 253 K HN 0.451 nan 8.250 nan 0.000 0.491 254 Y N -2.402 117.907 120.300 0.014 0.000 2.689 254 Y HA 0.275 4.825 4.550 -0.001 0.000 0.333 254 Y C -1.360 174.546 175.900 0.011 0.000 1.208 254 Y CA -1.431 56.667 58.100 -0.003 0.000 1.055 254 Y CB 0.971 39.419 38.460 -0.019 0.000 1.304 254 Y HN 0.600 nan 8.280 nan 0.000 0.455 255 Q N 0.554 120.440 119.800 0.143 0.000 2.416 255 Q HA 0.861 5.201 4.340 -0.001 0.000 0.279 255 Q C -1.914 174.223 176.000 0.228 0.000 1.101 255 Q CA -1.372 54.489 55.803 0.096 0.000 0.830 255 Q CB 3.069 31.859 28.738 0.087 0.000 1.402 255 Q HN 0.587 nan 8.270 nan 0.000 0.445 256 V N 2.226 122.243 119.914 0.172 0.000 2.407 256 V HA 0.471 4.591 4.120 -0.001 0.000 0.291 256 V C -0.637 175.547 176.094 0.150 0.000 1.018 256 V CA -0.503 61.900 62.300 0.171 0.000 0.842 256 V CB 1.065 32.980 31.823 0.153 0.000 0.996 256 V HN 0.668 nan 8.190 nan 0.000 0.426 257 I N 3.590 124.287 120.570 0.211 0.000 2.418 257 I HA 0.577 4.747 4.170 -0.001 0.000 0.287 257 I C 1.110 177.326 176.117 0.165 0.000 1.008 257 I CA -0.559 60.846 61.300 0.176 0.000 1.104 257 I CB 1.748 39.852 38.000 0.172 0.000 1.264 257 I HN 0.819 nan 8.210 nan 0.000 0.438 258 G N 4.289 113.147 108.800 0.096 0.000 2.305 258 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.287 258 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.287 258 G C 1.004 175.942 174.900 0.063 0.000 1.036 258 G CA 0.654 45.797 45.100 0.072 0.000 0.887 258 G HN 1.538 nan 8.290 nan 0.000 0.505 259 G N -1.874 106.961 108.800 0.057 0.000 2.184 259 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.264 259 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.264 259 G C 0.076 174.978 174.900 0.004 0.000 0.975 259 G CA 0.936 46.055 45.100 0.032 0.000 0.642 259 G HN 0.933 nan 8.290 nan 0.000 0.536 260 E N -0.156 120.052 120.200 0.012 0.000 2.195 260 E HA 0.519 4.869 4.350 -0.001 0.000 0.271 260 E C 0.102 176.570 176.600 -0.219 0.000 0.923 260 E CA -0.743 55.580 56.400 -0.128 0.000 0.790 260 E CB 2.329 31.947 29.700 -0.137 0.000 1.155 260 E HN 0.094 nan 8.360 nan 0.000 0.402 261 V N 4.002 123.698 119.914 -0.364 0.000 2.488 261 V HA 0.163 4.282 4.120 -0.001 0.000 0.277 261 V C -0.572 175.148 176.094 -0.623 0.000 1.046 261 V CA 0.204 62.309 62.300 -0.325 0.000 0.986 261 V CB -0.408 31.207 31.823 -0.347 0.000 0.989 261 V HN 0.524 nan 8.190 nan 0.000 0.475 262 Y N 4.569 124.787 120.300 -0.137 0.000 2.605 262 Y HA 0.499 5.049 4.550 -0.000 0.000 0.343 262 Y C -2.278 173.443 175.900 -0.298 0.000 1.036 262 Y CA -2.755 55.133 58.100 -0.353 0.000 1.065 262 Y CB 2.116 40.231 38.460 -0.576 0.000 1.288 262 Y HN 0.422 nan 8.280 nan 0.000 0.481 263 P HA 0.029 nan 4.420 nan 0.000 0.268 263 P C -2.536 174.743 177.300 -0.034 0.000 1.208 263 P CA -0.819 62.209 63.100 -0.119 0.000 0.777 263 P CB -0.050 31.586 31.700 -0.107 0.000 0.875 264 P HA 0.053 nan 4.420 nan 0.000 0.275 264 P C -0.312 177.077 177.300 0.150 0.000 1.266 264 P CA 0.006 63.157 63.100 0.085 0.000 0.793 264 P CB 0.085 31.815 31.700 0.050 0.000 1.074 265 T N -3.218 111.410 114.554 0.122 0.000 2.874 265 T HA 0.189 4.539 4.350 -0.001 0.000 0.281 265 T C 1.456 176.205 174.700 0.082 0.000 0.994 265 T CA -0.655 61.513 62.100 0.114 0.000 1.015 265 T CB 0.070 68.970 68.868 0.054 0.000 1.028 265 T HN 0.076 nan 8.240 nan 0.000 0.523 266 V N 1.533 121.488 119.914 0.068 0.000 2.332 266 V HA -0.133 3.987 4.120 -0.001 0.000 0.248 266 V C 2.817 178.931 176.094 0.033 0.000 1.055 266 V CA 2.341 64.678 62.300 0.062 0.000 1.038 266 V CB -0.929 30.933 31.823 0.064 0.000 0.651 266 V HN 1.039 nan 8.190 nan 0.000 0.450 267 K N 0.344 120.751 120.400 0.011 0.000 2.057 267 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 267 K C 1.912 178.519 176.600 0.011 0.000 1.049 267 K CA 2.036 58.325 56.287 0.004 0.000 0.931 267 K CB -0.333 32.160 32.500 -0.011 0.000 0.714 267 K HN 0.505 nan 8.250 nan 0.000 0.440 268 D N -0.669 119.741 120.400 0.016 0.000 2.117 268 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 268 D C 1.740 178.053 176.300 0.023 0.000 0.982 268 D CA 1.980 55.989 54.000 0.015 0.000 0.828 268 D CB -0.103 40.705 40.800 0.013 0.000 0.967 268 D HN 0.420 nan 8.370 nan 0.000 0.464 269 T N -4.019 110.556 114.554 0.034 0.000 3.051 269 T HA 0.077 4.427 4.350 -0.001 0.000 0.255 269 T C 1.080 175.804 174.700 0.041 0.000 1.085 269 T CA 0.619 62.745 62.100 0.042 0.000 1.109 269 T CB -0.080 68.819 68.868 0.051 0.000 0.921 269 T HN 0.111 nan 8.240 nan 0.000 0.488 270 Q N 0.181 120.002 119.800 0.035 0.000 2.452 270 Q HA -0.143 4.197 4.340 -0.001 0.000 0.248 270 Q C 0.039 176.060 176.000 0.034 0.000 0.874 270 Q CA 0.774 56.595 55.803 0.031 0.000 1.208 270 Q CB -2.452 26.301 28.738 0.026 0.000 1.569 270 Q HN 0.875 nan 8.270 nan 0.000 0.579 271 V N -1.399 118.541 119.914 0.044 0.000 2.546 271 V HA 0.370 4.490 4.120 -0.001 0.000 0.284 271 V C 0.477 176.597 176.094 0.044 0.000 1.050 271 V CA -0.557 61.767 62.300 0.040 0.000 0.981 271 V CB 1.573 33.421 31.823 0.042 0.000 0.990 271 V HN 0.217 nan 8.190 nan 0.000 0.474 272 E N 5.965 126.180 120.200 0.026 0.000 2.376 272 E HA 0.329 4.679 4.350 -0.001 0.000 0.266 272 E C -0.366 176.249 176.600 0.025 0.000 1.009 272 E CA 0.034 56.447 56.400 0.023 0.000 0.902 272 E CB 0.710 30.410 29.700 0.001 0.000 0.972 272 E HN 0.633 nan 8.360 nan 0.000 0.439 273 M N 2.272 121.901 119.600 0.049 0.000 2.619 273 M HA 0.411 4.890 4.480 -0.001 0.000 0.297 273 M C -0.538 175.726 176.300 -0.059 0.000 1.229 273 M CA -0.787 54.514 55.300 0.002 0.000 0.860 273 M CB 1.728 34.398 32.600 0.117 0.000 1.741 273 M HN 0.406 nan 8.290 nan 0.000 0.462 274 I N 2.221 122.678 120.570 -0.189 0.000 2.322 274 I HA 0.269 4.438 4.170 -0.001 0.000 0.292 274 I C -1.308 174.579 176.117 -0.382 0.000 1.060 274 I CA -0.031 61.165 61.300 -0.174 0.000 1.309 274 I CB 0.031 37.990 38.000 -0.068 0.000 1.415 274 I HN 0.483 nan 8.210 nan 0.000 0.492 275 Y N 5.681 125.901 120.300 -0.133 0.000 2.513 275 Y HA 0.385 4.934 4.550 -0.001 0.000 0.340 275 Y C -2.187 173.494 175.900 -0.365 0.000 1.055 275 Y CA -2.267 55.666 58.100 -0.279 0.000 1.020 275 Y CB 1.708 40.064 38.460 -0.173 0.000 1.301 275 Y HN 0.433 nan 8.280 nan 0.000 0.453 276 P HA 0.006 nan 4.420 nan 0.000 0.266 276 P C -1.977 175.194 177.300 -0.214 0.000 1.193 276 P CA -0.926 62.014 63.100 -0.267 0.000 0.770 276 P CB 0.367 31.874 31.700 -0.321 0.000 0.836 277 P HA -0.175 nan 4.420 nan 0.000 0.225 277 P C 0.956 178.222 177.300 -0.056 0.000 1.148 277 P CA 1.481 64.551 63.100 -0.050 0.000 0.779 277 P CB -0.279 31.425 31.700 0.006 0.000 0.780 278 H N -1.660 117.374 119.070 -0.060 0.000 2.548 278 H HA 0.117 4.673 4.556 -0.000 0.000 0.265 278 H C 0.649 175.926 175.328 -0.085 0.000 0.969 278 H CA -0.404 55.607 56.048 -0.061 0.000 1.155 278 H CB -0.352 29.383 29.762 -0.045 0.000 1.394 278 H HN -0.001 nan 8.280 nan 0.000 0.570 279 I N 4.040 124.324 120.570 -0.478 0.000 2.668 279 I HA 0.059 4.229 4.170 -0.001 0.000 0.285 279 I C -1.937 174.012 176.117 -0.280 0.000 1.168 279 I CA -2.329 58.733 61.300 -0.397 0.000 1.424 279 I CB 0.228 37.939 38.000 -0.482 0.000 1.377 279 I HN 0.010 nan 8.210 nan 0.000 0.560 280 P HA -0.008 nan 4.420 nan 0.000 0.266 280 P C 0.973 178.134 177.300 -0.232 0.000 1.193 280 P CA -0.001 62.988 63.100 -0.185 0.000 0.770 280 P CB 0.701 32.304 31.700 -0.162 0.000 0.836 281 E N 2.648 122.750 120.200 -0.165 0.000 2.065 281 E HA -0.315 4.034 4.350 -0.001 0.000 0.201 281 E C 1.170 177.670 176.600 -0.166 0.000 1.016 281 E CA 1.685 57.995 56.400 -0.150 0.000 0.818 281 E CB -0.252 29.395 29.700 -0.089 0.000 0.749 281 E HN 0.454 nan 8.360 nan 0.000 0.453 282 N N -0.466 118.149 118.700 -0.141 0.000 2.459 282 N HA -0.066 4.674 4.740 -0.001 0.000 0.181 282 N C 1.404 176.778 175.510 -0.227 0.000 1.046 282 N CA 0.206 53.196 53.050 -0.100 0.000 0.904 282 N CB 0.110 38.568 38.487 -0.049 0.000 0.964 282 N HN 0.214 nan 8.380 nan 0.000 0.444 283 L N 0.510 121.475 121.223 -0.430 0.000 2.592 283 L HA 0.074 4.413 4.340 -0.001 0.000 0.227 283 L C 0.296 176.579 176.870 -0.979 0.000 1.127 283 L CA 0.215 54.559 54.840 -0.826 0.000 0.884 283 L CB 0.166 41.857 42.059 -0.613 0.000 1.065 283 L HN 0.031 nan 8.230 nan 0.000 0.457 284 Q N 1.027 120.391 119.800 -0.728 0.000 2.837 284 Q HA 0.186 4.526 4.340 -0.001 0.000 0.235 284 Q C -0.582 175.282 176.000 -0.226 0.000 1.348 284 Q CA -0.169 55.110 55.803 -0.873 0.000 0.990 284 Q CB -0.120 28.247 28.738 -0.618 0.000 1.570 284 Q HN 0.277 nan 8.270 nan 0.000 0.575 285 F N 0.882 120.799 119.950 -0.055 0.000 2.529 285 F HA 0.204 4.731 4.527 -0.000 0.000 0.365 285 F C 0.836 176.757 175.800 0.202 0.000 1.102 285 F CA -0.922 57.132 58.000 0.090 0.000 1.271 285 F CB 0.656 39.718 39.000 0.103 0.000 1.120 285 F HN 0.325 nan 8.300 nan 0.000 0.579 286 A N 4.140 127.157 122.820 0.329 0.000 2.287 286 A HA 0.719 5.039 4.320 -0.001 0.000 0.317 286 A C -0.603 177.072 177.584 0.153 0.000 1.220 286 A CA -0.510 51.657 52.037 0.216 0.000 0.835 286 A CB 0.814 19.902 19.000 0.148 0.000 1.180 286 A HN 0.666 nan 8.150 nan 0.000 0.500 287 V N -0.057 119.929 119.914 0.120 0.000 3.156 287 V HA 0.876 4.996 4.120 -0.001 0.000 0.310 287 V C 1.130 177.212 176.094 -0.021 0.000 1.234 287 V CA -0.045 62.294 62.300 0.064 0.000 1.065 287 V CB 1.000 32.904 31.823 0.133 0.000 1.088 287 V HN 1.026 nan 8.190 nan 0.000 0.451 288 G N -0.796 107.957 108.800 -0.079 0.000 2.440 288 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.218 288 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.218 288 G C 0.733 175.507 174.900 -0.211 0.000 1.154 288 G CA 0.806 45.833 45.100 -0.122 0.000 0.767 288 G HN 0.672 nan 8.290 nan 0.000 0.552 289 Q N 0.573 120.129 119.800 -0.408 0.000 2.331 289 Q HA 0.153 4.493 4.340 -0.001 0.000 0.257 289 Q C 1.375 177.107 176.000 -0.446 0.000 0.957 289 Q CA -0.161 55.247 55.803 -0.658 0.000 0.923 289 Q CB 1.489 29.230 28.738 -1.662 0.000 1.212 289 Q HN 0.768 nan 8.270 nan 0.000 0.443 290 E N 1.888 121.930 120.200 -0.263 0.000 2.333 290 E HA -0.145 4.204 4.350 -0.001 0.000 0.198 290 E C 1.148 177.675 176.600 -0.122 0.000 1.007 290 E CA 1.395 57.707 56.400 -0.147 0.000 0.845 290 E CB -0.072 29.568 29.700 -0.101 0.000 0.766 290 E HN 0.376 nan 8.360 nan 0.000 0.507 291 V N -2.601 117.247 119.914 -0.110 0.000 3.649 291 V HA 0.080 4.200 4.120 -0.001 0.000 0.275 291 V C 1.279 177.479 176.094 0.177 0.000 1.281 291 V CA 0.066 62.387 62.300 0.035 0.000 1.143 291 V CB -0.747 31.143 31.823 0.111 0.000 0.892 291 V HN 0.020 nan 8.190 nan 0.000 0.441 292 F N 2.697 122.612 119.950 -0.057 0.000 2.748 292 F HA 0.358 4.885 4.527 -0.001 0.000 0.299 292 F C 2.262 178.026 175.800 -0.060 0.000 1.154 292 F CA 0.272 58.252 58.000 -0.033 0.000 1.446 292 F CB -1.041 37.979 39.000 0.032 0.000 1.112 292 F HN 0.381 nan 8.300 nan 0.000 0.584 293 G N -0.389 108.425 108.800 0.024 0.000 2.679 293 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.212 293 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.212 293 G C 1.780 176.573 174.900 -0.178 0.000 1.137 293 G CA 0.239 45.312 45.100 -0.044 0.000 0.787 293 G HN 0.328 nan 8.290 nan 0.000 0.534 294 L N 0.907 121.925 121.223 -0.342 0.000 2.013 294 L HA 0.007 4.347 4.340 -0.001 0.000 0.212 294 L C 0.962 177.476 176.870 -0.593 0.000 1.073 294 L CA 1.835 56.210 54.840 -0.775 0.000 0.753 294 L CB -0.192 41.660 42.059 -0.344 0.000 0.890 294 L HN 0.165 nan 8.230 nan 0.000 0.432 295 V N -6.936 112.765 119.914 -0.355 0.000 2.888 295 V HA 0.450 4.569 4.120 -0.001 0.000 0.309 295 V C -2.088 173.725 176.094 -0.468 0.000 1.114 295 V CA -1.458 60.586 62.300 -0.426 0.000 0.940 295 V CB 1.091 32.785 31.823 -0.216 0.000 1.021 295 V HN -0.151 nan 8.190 nan 0.000 0.426 296 P HA -0.034 nan 4.420 nan 0.000 0.219 296 P C 1.651 178.781 177.300 -0.283 0.000 1.146 296 P CA 2.028 64.866 63.100 -0.436 0.000 0.808 296 P CB 0.113 31.531 31.700 -0.469 0.000 0.779 297 G N -0.274 108.178 108.800 -0.580 0.000 2.422 297 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 297 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 297 G C 1.469 176.050 174.900 -0.532 0.000 1.146 297 G CA 0.501 44.962 45.100 -1.064 0.000 0.769 297 G HN 0.243 nan 8.290 nan 0.000 0.547 298 L N -0.797 120.188 121.223 -0.397 0.000 2.056 298 L HA 0.024 4.363 4.340 -0.001 0.000 0.207 298 L C 2.800 179.554 176.870 -0.194 0.000 1.078 298 L CA 0.898 55.560 54.840 -0.297 0.000 0.749 298 L CB -0.279 41.508 42.059 -0.453 0.000 0.901 298 L HN 0.202 nan 8.230 nan 0.000 0.433 299 M N -0.622 118.899 119.600 -0.132 0.000 2.296 299 M HA -0.193 4.286 4.480 -0.001 0.000 0.265 299 M C 2.115 178.366 176.300 -0.082 0.000 1.064 299 M CA 1.532 56.825 55.300 -0.011 0.000 1.109 299 M CB -0.360 32.288 32.600 0.079 0.000 1.396 299 M HN 0.186 nan 8.290 nan 0.000 0.430 300 M N -1.400 118.095 119.600 -0.175 0.000 2.065 300 M HA -0.288 4.192 4.480 -0.001 0.000 0.259 300 M C 1.675 177.822 176.300 -0.255 0.000 1.069 300 M CA 2.016 57.174 55.300 -0.237 0.000 1.110 300 M CB -0.378 32.110 32.600 -0.187 0.000 1.328 300 M HN 0.246 nan 8.290 nan 0.000 0.405 301 Y N 0.203 120.376 120.300 -0.213 0.000 2.293 301 Y HA -0.064 4.486 4.550 -0.001 0.000 0.291 301 Y C 2.624 178.357 175.900 -0.279 0.000 1.137 301 Y CA 1.437 59.334 58.100 -0.338 0.000 1.202 301 Y CB -0.981 37.092 38.460 -0.645 0.000 0.990 301 Y HN 0.401 nan 8.280 nan 0.000 0.537 302 A N -0.707 122.085 122.820 -0.047 0.000 1.933 302 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 302 A C 2.294 179.921 177.584 0.071 0.000 1.175 302 A CA 2.294 54.421 52.037 0.149 0.000 0.628 302 A CB -1.137 18.008 19.000 0.242 0.000 0.814 302 A HN 0.401 nan 8.150 nan 0.000 0.444 303 T N 0.172 114.710 114.554 -0.027 0.000 2.777 303 T HA -0.040 4.310 4.350 -0.001 0.000 0.266 303 T C 1.800 176.428 174.700 -0.121 0.000 1.040 303 T CA 1.380 63.420 62.100 -0.100 0.000 1.141 303 T CB -0.369 68.408 68.868 -0.152 0.000 0.868 303 T HN 0.418 nan 8.240 nan 0.000 0.444 304 I N -0.615 119.867 120.570 -0.148 0.000 2.179 304 I HA -0.190 3.980 4.170 -0.001 0.000 0.242 304 I C 2.214 178.224 176.117 -0.178 0.000 1.088 304 I CA 1.514 62.682 61.300 -0.219 0.000 1.357 304 I CB -0.291 37.524 38.000 -0.309 0.000 1.051 304 I HN 0.341 nan 8.210 nan 0.000 0.409 305 W N 0.049 121.331 121.300 -0.029 0.000 2.388 305 W HA -0.177 4.482 4.660 -0.001 0.000 0.294 305 W C 2.387 178.896 176.519 -0.017 0.000 1.212 305 W CA 0.167 57.509 57.345 -0.005 0.000 1.271 305 W CB -0.363 29.087 29.460 -0.017 0.000 1.126 305 W HN 0.114 nan 8.180 nan 0.000 0.535 306 L N 1.278 122.595 121.223 0.156 0.000 2.012 306 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 306 L C 2.265 179.178 176.870 0.070 0.000 1.073 306 L CA 1.916 56.805 54.840 0.081 0.000 0.748 306 L CB -1.028 41.041 42.059 0.016 0.000 0.891 306 L HN -0.045 nan 8.230 nan 0.000 0.431 307 R N -0.659 119.826 120.500 -0.024 0.000 2.081 307 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 307 R C 2.198 178.489 176.300 -0.016 0.000 1.131 307 R CA 1.431 57.482 56.100 -0.081 0.000 0.960 307 R CB -0.387 29.818 30.300 -0.157 0.000 0.856 307 R HN 0.410 nan 8.270 nan 0.000 0.436 308 E N 0.265 120.477 120.200 0.021 0.000 2.077 308 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 308 E C 1.745 178.441 176.600 0.159 0.000 0.989 308 E CA 1.712 58.149 56.400 0.061 0.000 0.800 308 E CB -0.201 29.530 29.700 0.052 0.000 0.746 308 E HN 0.436 nan 8.360 nan 0.000 0.452 309 H N -0.156 119.011 119.070 0.161 0.000 2.319 309 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 309 H C 1.607 177.019 175.328 0.140 0.000 1.092 309 H CA 2.304 58.468 56.048 0.193 0.000 1.302 309 H CB -0.128 29.774 29.762 0.233 0.000 1.373 309 H HN 0.140 nan 8.280 nan 0.000 0.497 310 N N 0.118 118.924 118.700 0.177 0.000 2.244 310 N HA -0.111 4.629 4.740 -0.001 0.000 0.183 310 N C 1.969 177.480 175.510 0.001 0.000 1.016 310 N CA 0.855 53.957 53.050 0.087 0.000 0.866 310 N CB -0.326 38.190 38.487 0.049 0.000 0.980 310 N HN 0.409 nan 8.380 nan 0.000 0.430 311 R N 0.683 121.178 120.500 -0.009 0.000 2.081 311 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 311 R C 1.646 177.941 176.300 -0.009 0.000 1.131 311 R CA 0.983 57.071 56.100 -0.020 0.000 0.960 311 R CB -0.156 30.128 30.300 -0.026 0.000 0.856 311 R HN -0.020 nan 8.270 nan 0.000 0.436 312 V N 0.254 120.162 119.914 -0.009 0.000 2.407 312 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 312 V C 2.524 178.612 176.094 -0.011 0.000 1.055 312 V CA 1.628 63.928 62.300 0.000 0.000 1.049 312 V CB -0.452 31.383 31.823 0.019 0.000 0.662 312 V HN 0.531 nan 8.190 nan 0.000 0.455 313 C N 0.104 119.366 119.300 -0.065 0.000 2.413 313 C HA -0.184 4.276 4.460 -0.001 0.000 0.276 313 C C 2.539 177.556 174.990 0.044 0.000 1.248 313 C CA 1.088 60.104 59.018 -0.003 0.000 1.742 313 C CB -1.060 26.684 27.740 0.007 0.000 2.017 313 C HN 0.604 nan 8.230 nan 0.000 0.481 314 D N 0.663 121.079 120.400 0.025 0.000 2.117 314 D HA -0.080 4.560 4.640 -0.001 0.000 0.197 314 D C 1.938 178.247 176.300 0.016 0.000 0.987 314 D CA 1.154 55.168 54.000 0.023 0.000 0.829 314 D CB -0.389 40.415 40.800 0.007 0.000 0.961 314 D HN 0.475 nan 8.370 nan 0.000 0.460 315 I N 0.528 121.106 120.570 0.012 0.000 2.179 315 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 315 I C 2.407 178.525 176.117 0.001 0.000 1.088 315 I CA 0.734 62.036 61.300 0.004 0.000 1.357 315 I CB -0.144 37.864 38.000 0.013 0.000 1.051 315 I HN -0.023 nan 8.210 nan 0.000 0.409 316 L N 0.479 121.728 121.223 0.044 0.000 2.141 316 L HA -0.203 4.137 4.340 -0.001 0.000 0.209 316 L C 2.579 179.466 176.870 0.028 0.000 1.094 316 L CA 1.215 56.096 54.840 0.067 0.000 0.763 316 L CB -0.505 41.672 42.059 0.196 0.000 0.908 316 L HN 0.220 nan 8.230 nan 0.000 0.437 317 K N 0.187 120.622 120.400 0.059 0.000 2.097 317 K HA -0.266 4.054 4.320 -0.001 0.000 0.206 317 K C 2.200 178.790 176.600 -0.016 0.000 1.049 317 K CA 1.440 57.761 56.287 0.055 0.000 0.933 317 K CB 0.051 32.596 32.500 0.076 0.000 0.717 317 K HN 0.078 nan 8.250 nan 0.000 0.442 318 Q N 1.030 120.807 119.800 -0.038 0.000 2.084 318 Q HA -0.160 4.180 4.340 -0.001 0.000 0.202 318 Q C 1.736 177.646 176.000 -0.149 0.000 0.978 318 Q CA 1.813 57.574 55.803 -0.070 0.000 0.844 318 Q CB 0.033 28.738 28.738 -0.055 0.000 0.898 318 Q HN 0.337 nan 8.270 nan 0.000 0.426 319 E N -0.986 119.078 120.200 -0.227 0.000 2.152 319 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 319 E C -0.050 176.106 176.600 -0.740 0.000 0.983 319 E CA 0.647 56.771 56.400 -0.461 0.000 0.818 319 E CB 0.241 29.624 29.700 -0.529 0.000 0.758 319 E HN 0.469 nan 8.360 nan 0.000 0.467 320 H N -0.357 118.483 119.070 -0.384 0.000 2.448 320 H HA 0.155 4.711 4.556 -0.001 0.000 0.237 320 H C -1.919 173.275 175.328 -0.223 0.000 1.391 320 H CA -1.583 54.149 56.048 -0.527 0.000 1.477 320 H CB 1.187 30.113 29.762 -1.393 0.000 1.520 320 H HN 0.105 nan 8.280 nan 0.000 0.502 321 P HA -0.158 nan 4.420 nan 0.000 0.222 321 P C 1.353 178.707 177.300 0.090 0.000 1.147 321 P CA 1.008 64.125 63.100 0.027 0.000 0.790 321 P CB 0.467 32.168 31.700 0.001 0.000 0.780 322 E N -1.399 118.866 120.200 0.109 0.000 2.435 322 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 322 E C 0.205 176.998 176.600 0.322 0.000 1.029 322 E CA 0.180 56.687 56.400 0.179 0.000 0.865 322 E CB -0.617 29.183 29.700 0.167 0.000 0.833 322 E HN 0.159 nan 8.360 nan 0.000 0.510 323 W N 1.742 123.089 121.300 0.079 0.000 2.184 323 W HA 0.548 5.207 4.660 -0.001 0.000 0.338 323 W C 1.078 177.629 176.519 0.053 0.000 1.257 323 W CA -0.188 57.185 57.345 0.046 0.000 1.243 323 W CB 0.733 30.213 29.460 0.034 0.000 1.122 323 W HN -0.025 nan 8.180 nan 0.000 0.585 324 G N 0.732 109.652 108.800 0.200 0.000 2.511 324 G HA2 0.129 4.089 3.960 -0.001 0.000 0.316 324 G HA3 0.129 4.089 3.960 -0.001 0.000 0.316 324 G C 0.325 175.307 174.900 0.137 0.000 1.210 324 G CA -0.223 44.957 45.100 0.132 0.000 0.969 324 G HN 0.488 nan 8.290 nan 0.000 0.492 325 D N -0.847 119.633 120.400 0.134 0.000 2.133 325 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 325 D C 2.001 178.395 176.300 0.157 0.000 0.997 325 D CA 1.854 55.948 54.000 0.157 0.000 0.840 325 D CB 0.117 41.015 40.800 0.163 0.000 0.947 325 D HN 0.438 nan 8.370 nan 0.000 0.452 326 E N 0.204 120.471 120.200 0.112 0.000 2.051 326 E HA -0.242 4.108 4.350 -0.001 0.000 0.192 326 E C 2.087 178.732 176.600 0.075 0.000 0.991 326 E CA 1.442 57.909 56.400 0.111 0.000 0.799 326 E CB -0.357 29.381 29.700 0.063 0.000 0.748 326 E HN 0.460 nan 8.360 nan 0.000 0.449 327 Q N -0.412 119.339 119.800 -0.081 0.000 2.119 327 Q HA -0.104 4.236 4.340 -0.001 0.000 0.201 327 Q C 2.239 178.133 176.000 -0.177 0.000 0.972 327 Q CA 1.261 56.874 55.803 -0.317 0.000 0.847 327 Q CB -0.086 28.173 28.738 -0.799 0.000 0.903 327 Q HN 0.358 nan 8.270 nan 0.000 0.433 328 L N -0.247 121.024 121.223 0.080 0.000 2.012 328 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 328 L C 2.306 179.287 176.870 0.185 0.000 1.073 328 L CA 1.380 56.367 54.840 0.245 0.000 0.748 328 L CB -0.556 41.670 42.059 0.279 0.000 0.891 328 L HN 0.319 nan 8.230 nan 0.000 0.431 329 F N 0.505 120.508 119.950 0.089 0.000 2.075 329 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 329 F C 2.732 178.584 175.800 0.086 0.000 1.113 329 F CA 1.603 59.685 58.000 0.135 0.000 1.218 329 F CB -0.243 38.801 39.000 0.074 0.000 0.984 329 F HN 0.038 nan 8.300 nan 0.000 0.472 330 Q N -0.075 119.703 119.800 -0.036 0.000 2.079 330 Q HA -0.130 4.210 4.340 -0.001 0.000 0.200 330 Q C 2.240 178.149 176.000 -0.152 0.000 0.974 330 Q CA 2.168 57.873 55.803 -0.163 0.000 0.840 330 Q CB -1.126 27.602 28.738 -0.017 0.000 0.898 330 Q HN 0.428 nan 8.270 nan 0.000 0.430 331 T N 0.902 115.416 114.554 -0.068 0.000 2.821 331 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 331 T C 2.165 176.930 174.700 0.109 0.000 1.046 331 T CA 1.300 63.431 62.100 0.050 0.000 1.139 331 T CB -0.102 68.858 68.868 0.154 0.000 0.871 331 T HN 0.191 nan 8.240 nan 0.000 0.454 332 S N 1.049 116.764 115.700 0.024 0.000 2.368 332 S HA -0.106 4.363 4.470 -0.001 0.000 0.225 332 S C 2.076 176.711 174.600 0.058 0.000 1.030 332 S CA 1.077 59.272 58.200 -0.009 0.000 0.999 332 S CB -0.253 62.771 63.200 -0.294 0.000 0.844 332 S HN 0.456 nan 8.310 nan 0.000 0.459 333 R N 1.098 121.526 120.500 -0.121 0.000 2.083 333 R HA -0.056 4.284 4.340 -0.001 0.000 0.237 333 R C 2.140 178.487 176.300 0.077 0.000 1.137 333 R CA 1.297 57.297 56.100 -0.167 0.000 0.951 333 R CB -0.428 29.417 30.300 -0.758 0.000 0.851 333 R HN 0.352 nan 8.270 nan 0.000 0.434 334 L N 0.336 121.632 121.223 0.123 0.000 2.083 334 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 334 L C 2.481 179.631 176.870 0.466 0.000 1.083 334 L CA 1.249 56.285 54.840 0.327 0.000 0.752 334 L CB -0.386 41.884 42.059 0.351 0.000 0.899 334 L HN 0.298 nan 8.230 nan 0.000 0.433 335 I N -0.548 120.264 120.570 0.404 0.000 2.179 335 I HA -0.314 3.856 4.170 -0.001 0.000 0.242 335 I C 2.366 178.639 176.117 0.261 0.000 1.088 335 I CA 1.189 62.666 61.300 0.295 0.000 1.357 335 I CB -0.180 37.971 38.000 0.252 0.000 1.051 335 I HN 0.171 nan 8.210 nan 0.000 0.409 336 L N 0.265 121.662 121.223 0.291 0.000 2.131 336 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 336 L C 2.304 179.310 176.870 0.227 0.000 1.092 336 L CA 1.730 56.766 54.840 0.327 0.000 0.759 336 L CB -0.537 41.758 42.059 0.392 0.000 0.903 336 L HN 0.171 nan 8.230 nan 0.000 0.435 337 I N -0.965 119.742 120.570 0.227 0.000 2.163 337 I HA -0.264 3.906 4.170 -0.001 0.000 0.243 337 I C 2.498 178.734 176.117 0.198 0.000 1.085 337 I CA 1.522 62.938 61.300 0.193 0.000 1.347 337 I CB -0.930 37.203 38.000 0.222 0.000 1.044 337 I HN 0.353 nan 8.210 nan 0.000 0.408 338 G N 0.147 109.102 108.800 0.260 0.000 2.418 338 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.217 338 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.217 338 G C 1.507 176.530 174.900 0.204 0.000 1.158 338 G CA 0.534 45.799 45.100 0.275 0.000 0.771 338 G HN 0.402 nan 8.290 nan 0.000 0.545 339 E N -0.054 120.284 120.200 0.229 0.000 2.085 339 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 339 E C 2.776 179.550 176.600 0.290 0.000 0.994 339 E CA 1.545 58.109 56.400 0.274 0.000 0.801 339 E CB -0.274 29.661 29.700 0.392 0.000 0.743 339 E HN 0.363 nan 8.360 nan 0.000 0.453 340 T N 1.500 116.206 114.554 0.254 0.000 2.708 340 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 340 T C 2.029 176.752 174.700 0.037 0.000 1.037 340 T CA 0.989 63.201 62.100 0.187 0.000 1.146 340 T CB -0.205 68.674 68.868 0.018 0.000 0.865 340 T HN 0.118 nan 8.240 nan 0.000 0.435 341 I N 0.866 121.381 120.570 -0.093 0.000 2.226 341 I HA -0.175 3.995 4.170 -0.001 0.000 0.245 341 I C 2.578 178.379 176.117 -0.526 0.000 1.100 341 I CA 1.167 62.250 61.300 -0.363 0.000 1.374 341 I CB -0.318 37.315 38.000 -0.611 0.000 1.057 341 I HN 0.150 nan 8.210 nan 0.000 0.413 342 K N 1.912 122.051 120.400 -0.434 0.000 2.009 342 K HA -0.165 4.155 4.320 -0.001 0.000 0.210 342 K C 1.854 178.467 176.600 0.021 0.000 1.049 342 K CA 1.864 58.091 56.287 -0.099 0.000 0.929 342 K CB -0.440 32.168 32.500 0.180 0.000 0.714 342 K HN 0.259 nan 8.250 nan 0.000 0.440 343 I N -0.018 120.596 120.570 0.073 0.000 2.252 343 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 343 I C 2.060 178.231 176.117 0.091 0.000 1.102 343 I CA 0.774 62.141 61.300 0.111 0.000 1.385 343 I CB -0.149 37.971 38.000 0.201 0.000 1.064 343 I HN -0.025 nan 8.210 nan 0.000 0.414 344 V N 1.150 121.079 119.914 0.025 0.000 2.343 344 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 344 V C 2.245 178.424 176.094 0.142 0.000 1.051 344 V CA 1.913 64.211 62.300 -0.004 0.000 1.036 344 V CB -0.342 31.300 31.823 -0.301 0.000 0.654 344 V HN 0.325 nan 8.190 nan 0.000 0.451 345 I N -0.492 120.118 120.570 0.068 0.000 2.235 345 I HA -0.147 4.022 4.170 -0.001 0.000 0.241 345 I C 2.424 178.613 176.117 0.120 0.000 1.085 345 I CA 1.494 62.859 61.300 0.109 0.000 1.378 345 I CB -0.316 37.738 38.000 0.091 0.000 1.076 345 I HN 0.307 nan 8.210 nan 0.000 0.415 346 E N 0.214 120.479 120.200 0.108 0.000 2.371 346 E HA -0.103 4.247 4.350 -0.001 0.000 0.194 346 E C 0.933 177.594 176.600 0.102 0.000 1.012 346 E CA 0.593 57.046 56.400 0.089 0.000 0.860 346 E CB 0.260 30.010 29.700 0.084 0.000 0.811 346 E HN 0.499 nan 8.360 nan 0.000 0.502 347 D N -0.663 119.833 120.400 0.160 0.000 2.856 347 D HA -0.047 4.592 4.640 -0.001 0.000 0.283 347 D C 1.542 178.105 176.300 0.438 0.000 1.051 347 D CA 0.308 54.455 54.000 0.244 0.000 0.965 347 D CB -0.249 40.659 40.800 0.180 0.000 1.201 347 D HN 0.067 nan 8.370 nan 0.000 0.474 348 Y N 2.394 122.831 120.300 0.229 0.000 2.153 348 Y HA -0.117 4.432 4.550 -0.001 0.000 0.289 348 Y C 2.177 178.195 175.900 0.196 0.000 1.119 348 Y CA 1.343 59.466 58.100 0.039 0.000 1.116 348 Y CB -0.466 37.840 38.460 -0.257 0.000 1.004 348 Y HN -0.278 nan 8.280 nan 0.000 0.501 349 V N 0.900 120.919 119.914 0.174 0.000 2.343 349 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 349 V C 2.362 178.444 176.094 -0.020 0.000 1.051 349 V CA 2.172 64.511 62.300 0.065 0.000 1.036 349 V CB -0.894 31.030 31.823 0.168 0.000 0.654 349 V HN 0.438 nan 8.190 nan 0.000 0.451 350 Q N 0.271 120.093 119.800 0.037 0.000 2.077 350 Q HA -0.292 4.048 4.340 -0.001 0.000 0.206 350 Q C 2.123 178.083 176.000 -0.067 0.000 0.989 350 Q CA 2.711 58.504 55.803 -0.016 0.000 0.853 350 Q CB -0.548 28.213 28.738 0.038 0.000 0.907 350 Q HN 0.853 nan 8.270 nan 0.000 0.418 351 H N -0.388 118.645 119.070 -0.062 0.000 2.270 351 H HA -0.134 4.421 4.556 -0.001 0.000 0.299 351 H C 1.707 176.869 175.328 -0.276 0.000 1.077 351 H CA 2.225 58.196 56.048 -0.129 0.000 1.294 351 H CB -0.409 29.320 29.762 -0.054 0.000 1.371 351 H HN 0.367 nan 8.280 nan 0.000 0.491 352 L N 0.190 121.139 121.223 -0.456 0.000 2.201 352 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 352 L C 2.376 178.977 176.870 -0.447 0.000 1.105 352 L CA 1.796 56.305 54.840 -0.551 0.000 0.775 352 L CB -1.432 40.515 42.059 -0.186 0.000 0.913 352 L HN 0.416 nan 8.230 nan 0.000 0.440 353 S N 0.130 115.560 115.700 -0.451 0.000 2.383 353 S HA 0.082 4.551 4.470 -0.001 0.000 0.227 353 S C 1.910 176.087 174.600 -0.705 0.000 1.026 353 S CA 0.801 58.562 58.200 -0.731 0.000 0.981 353 S CB -1.260 61.242 63.200 -1.164 0.000 0.818 353 S HN 1.048 nan 8.310 nan 0.000 0.472 354 G N -0.145 108.334 108.800 -0.535 0.000 2.155 354 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.257 354 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.257 354 G C -0.154 174.552 174.900 -0.324 0.000 0.983 354 G CA 0.481 45.345 45.100 -0.394 0.000 0.676 354 G HN 0.547 nan 8.290 nan 0.000 0.528 355 Y N 0.206 120.304 120.300 -0.336 0.000 2.336 355 Y HA 0.464 5.014 4.550 -0.000 0.000 0.331 355 Y C 1.712 177.362 175.900 -0.416 0.000 1.211 355 Y CA -1.003 56.841 58.100 -0.427 0.000 1.346 355 Y CB 0.507 38.797 38.460 -0.283 0.000 1.271 355 Y HN 0.204 nan 8.280 nan 0.000 0.538 356 H N 1.417 120.356 119.070 -0.217 0.000 2.512 356 H HA -0.053 4.503 4.556 -0.000 0.000 0.279 356 H C 0.279 175.477 175.328 -0.218 0.000 0.999 356 H CA 0.009 55.938 56.048 -0.199 0.000 1.283 356 H CB -0.092 29.600 29.762 -0.116 0.000 1.421 356 H HN 0.476 nan 8.280 nan 0.000 0.554 357 F N 2.741 122.343 119.950 -0.579 0.000 2.529 357 F HA 0.123 4.650 4.527 -0.001 0.000 0.365 357 F C 0.766 176.511 175.800 -0.091 0.000 1.102 357 F CA -0.522 57.233 58.000 -0.409 0.000 1.271 357 F CB 0.537 39.087 39.000 -0.750 0.000 1.120 357 F HN -0.229 nan 8.300 nan 0.000 0.579 358 K N 8.129 128.041 120.400 -0.814 0.000 2.250 358 K HA 0.318 4.638 4.320 -0.001 0.000 0.280 358 K C -0.593 175.477 176.600 -0.884 0.000 1.098 358 K CA -0.464 55.465 56.287 -0.596 0.000 0.916 358 K CB 0.131 32.452 32.500 -0.298 0.000 1.209 358 K HN 0.735 nan 8.250 nan 0.000 0.461 359 L N 3.029 123.952 121.223 -0.500 0.000 2.482 359 L HA 0.137 4.477 4.340 -0.001 0.000 0.273 359 L C 0.356 177.154 176.870 -0.121 0.000 1.228 359 L CA 0.355 55.055 54.840 -0.233 0.000 0.827 359 L CB 0.233 42.295 42.059 0.004 0.000 1.099 359 L HN 0.567 nan 8.230 nan 0.000 0.494 360 K N 1.329 121.731 120.400 0.003 0.000 2.513 360 K HA 0.320 4.640 4.320 -0.001 0.000 0.251 360 K C -1.557 175.122 176.600 0.132 0.000 0.939 360 K CA -0.709 55.603 56.287 0.042 0.000 0.793 360 K CB 1.621 34.128 32.500 0.011 0.000 1.241 360 K HN 0.298 nan 8.250 nan 0.000 0.431 361 F N 4.545 124.483 119.950 -0.021 0.000 2.375 361 F HA 0.342 4.869 4.527 -0.000 0.000 0.362 361 F C -0.885 174.862 175.800 -0.088 0.000 1.129 361 F CA -0.684 57.286 58.000 -0.049 0.000 1.154 361 F CB 0.607 39.595 39.000 -0.019 0.000 1.205 361 F HN 0.497 nan 8.300 nan 0.000 0.513 362 D N 8.431 128.540 120.400 -0.486 0.000 2.411 362 D HA 0.300 4.940 4.640 -0.001 0.000 0.239 362 D C -2.282 173.624 176.300 -0.656 0.000 1.307 362 D CA -1.817 51.845 54.000 -0.563 0.000 0.930 362 D CB 1.660 42.314 40.800 -0.243 0.000 1.395 362 D HN 0.169 nan 8.370 nan 0.000 0.536 363 P HA -0.149 nan 4.420 nan 0.000 0.217 363 P C 0.902 177.583 177.300 -1.032 0.000 1.148 363 P CA 1.086 63.641 63.100 -0.909 0.000 0.834 363 P CB 0.356 31.255 31.700 -1.336 0.000 0.783 364 E N -0.705 118.868 120.200 -1.046 0.000 2.267 364 E HA -0.144 4.206 4.350 -0.001 0.000 0.197 364 E C 1.842 178.040 176.600 -0.669 0.000 0.998 364 E CA 0.661 56.329 56.400 -1.220 0.000 0.830 364 E CB -0.590 28.865 29.700 -0.409 0.000 0.751 364 E HN 0.327 nan 8.360 nan 0.000 0.491 365 L N 0.347 121.319 121.223 -0.418 0.000 2.187 365 L HA -0.183 4.156 4.340 -0.001 0.000 0.213 365 L C 2.105 178.883 176.870 -0.153 0.000 1.100 365 L CA 0.881 55.597 54.840 -0.208 0.000 0.765 365 L CB -0.218 41.747 42.059 -0.156 0.000 0.904 365 L HN 0.190 nan 8.230 nan 0.000 0.437 366 L N -2.050 119.050 121.223 -0.204 0.000 2.585 366 L HA 0.042 4.382 4.340 -0.001 0.000 0.226 366 L C 2.029 179.048 176.870 0.247 0.000 1.113 366 L CA 0.037 54.850 54.840 -0.045 0.000 0.876 366 L CB -0.164 41.771 42.059 -0.206 0.000 1.072 366 L HN 0.181 nan 8.230 nan 0.000 0.468 367 F N 1.447 121.459 119.950 0.103 0.000 2.293 367 F HA -0.160 4.367 4.527 -0.001 0.000 0.300 367 F C 1.839 177.718 175.800 0.130 0.000 1.086 367 F CA 0.456 58.545 58.000 0.149 0.000 1.375 367 F CB -0.070 39.014 39.000 0.141 0.000 1.045 367 F HN 0.412 nan 8.300 nan 0.000 0.516 368 N N -0.702 118.164 118.700 0.277 0.000 2.251 368 N HA 0.007 4.747 4.740 -0.001 0.000 0.217 368 N C -0.284 175.318 175.510 0.154 0.000 1.124 368 N CA 0.083 53.247 53.050 0.191 0.000 0.843 368 N CB -0.132 38.447 38.487 0.155 0.000 1.024 368 N HN 0.139 nan 8.380 nan 0.000 0.501 369 Q N 0.258 120.159 119.800 0.167 0.000 2.351 369 Q HA 0.311 4.651 4.340 -0.001 0.000 0.273 369 Q C -0.542 175.559 176.000 0.168 0.000 1.077 369 Q CA -0.469 55.418 55.803 0.141 0.000 0.843 369 Q CB 1.785 30.588 28.738 0.108 0.000 1.367 369 Q HN 0.326 nan 8.270 nan 0.000 0.449 370 Q N 1.123 121.012 119.800 0.148 0.000 2.293 370 Q HA 0.446 4.786 4.340 -0.001 0.000 0.263 370 Q C -1.066 175.048 176.000 0.191 0.000 1.002 370 Q CA 0.290 56.177 55.803 0.140 0.000 0.910 370 Q CB 0.420 29.220 28.738 0.104 0.000 1.185 370 Q HN 0.379 nan 8.270 nan 0.000 0.401 371 F N 1.411 121.318 119.950 -0.071 0.000 2.654 371 F HA 0.159 4.686 4.527 -0.001 0.000 0.314 371 F C -1.547 174.066 175.800 -0.311 0.000 1.116 371 F CA -0.838 57.045 58.000 -0.196 0.000 1.017 371 F CB 1.668 40.506 39.000 -0.269 0.000 1.285 371 F HN 0.291 nan 8.300 nan 0.000 0.448 372 Q N 5.555 124.792 119.800 -0.938 0.000 2.331 372 Q HA 0.204 4.544 4.340 -0.001 0.000 0.257 372 Q C -1.246 174.310 176.000 -0.739 0.000 0.957 372 Q CA -0.280 55.150 55.803 -0.621 0.000 0.923 372 Q CB 1.094 29.584 28.738 -0.413 0.000 1.212 372 Q HN 0.700 nan 8.270 nan 0.000 0.443 373 Y N 3.053 123.299 120.300 -0.089 0.000 2.623 373 Y HA 0.055 4.604 4.550 -0.001 0.000 0.341 373 Y C 0.731 176.621 175.900 -0.018 0.000 1.292 373 Y CA -0.147 57.981 58.100 0.047 0.000 1.840 373 Y CB 0.145 38.695 38.460 0.151 0.000 1.865 373 Y HN 0.428 nan 8.280 nan 0.000 0.440 374 Q N 0.029 119.824 119.800 -0.009 0.000 2.633 374 Q HA 0.553 4.893 4.340 -0.001 0.000 0.289 374 Q C -1.998 173.963 176.000 -0.065 0.000 0.940 374 Q CA -1.306 54.487 55.803 -0.016 0.000 0.785 374 Q CB 2.147 30.867 28.738 -0.029 0.000 1.467 374 Q HN 0.288 nan 8.270 nan 0.000 0.401 375 N N -0.422 118.247 118.700 -0.052 0.000 2.446 375 N HA 0.553 5.292 4.740 -0.001 0.000 0.272 375 N C -2.216 173.248 175.510 -0.076 0.000 1.127 375 N CA -0.510 52.506 53.050 -0.057 0.000 0.896 375 N CB 2.399 40.868 38.487 -0.030 0.000 1.658 375 N HN 0.615 nan 8.380 nan 0.000 0.483 376 R N 2.829 123.279 120.500 -0.083 0.000 2.561 376 R HA 0.540 4.880 4.340 -0.001 0.000 0.297 376 R C -0.909 175.453 176.300 0.103 0.000 0.969 376 R CA -0.597 55.417 56.100 -0.143 0.000 0.879 376 R CB 0.664 30.796 30.300 -0.279 0.000 1.178 376 R HN 0.531 nan 8.270 nan 0.000 0.445 377 I N 3.630 124.446 120.570 0.409 0.000 2.533 377 I HA 0.221 4.391 4.170 -0.001 0.000 0.284 377 I C 0.487 176.821 176.117 0.363 0.000 1.109 377 I CA -0.058 61.472 61.300 0.383 0.000 1.412 377 I CB 0.642 38.920 38.000 0.463 0.000 1.396 377 I HN 0.709 nan 8.210 nan 0.000 0.543 378 A N 4.776 127.693 122.820 0.162 0.000 2.331 378 A HA 0.287 4.607 4.320 -0.001 0.000 0.283 378 A C 1.261 178.765 177.584 -0.133 0.000 1.142 378 A CA -0.187 51.850 52.037 -0.001 0.000 0.812 378 A CB 0.847 19.714 19.000 -0.221 0.000 1.074 378 A HN 0.806 nan 8.150 nan 0.000 0.497 379 S N 1.144 116.762 115.700 -0.137 0.000 2.370 379 S HA -0.191 4.278 4.470 -0.001 0.000 0.226 379 S C 1.541 175.980 174.600 -0.267 0.000 1.033 379 S CA 2.382 60.398 58.200 -0.307 0.000 1.011 379 S CB -0.349 62.823 63.200 -0.046 0.000 0.852 379 S HN 0.789 nan 8.310 nan 0.000 0.457 380 E N 0.030 120.080 120.200 -0.250 0.000 2.204 380 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 380 E C 1.556 177.996 176.600 -0.266 0.000 0.989 380 E CA 0.863 57.114 56.400 -0.249 0.000 0.824 380 E CB -0.307 29.221 29.700 -0.286 0.000 0.756 380 E HN 0.600 nan 8.360 nan 0.000 0.477 381 F N 1.960 121.472 119.950 -0.730 0.000 2.146 381 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 381 F C 1.945 177.498 175.800 -0.412 0.000 1.096 381 F CA 1.193 58.843 58.000 -0.584 0.000 1.275 381 F CB -0.450 38.110 39.000 -0.734 0.000 1.008 381 F HN -0.006 nan 8.300 nan 0.000 0.480 382 N N 0.111 118.318 118.700 -0.822 0.000 2.036 382 N HA -0.188 4.552 4.740 -0.001 0.000 0.195 382 N C 1.766 176.831 175.510 -0.742 0.000 1.037 382 N CA 2.431 54.555 53.050 -1.544 0.000 0.855 382 N CB -0.739 36.993 38.487 -1.257 0.000 1.033 382 N HN 0.309 nan 8.380 nan 0.000 0.423 383 T N 1.770 116.027 114.554 -0.495 0.000 2.684 383 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 383 T C 1.928 176.515 174.700 -0.188 0.000 1.036 383 T CA 1.714 63.535 62.100 -0.465 0.000 1.148 383 T CB -0.413 68.302 68.868 -0.256 0.000 0.863 383 T HN 0.431 nan 8.240 nan 0.000 0.436 384 L N -1.171 120.020 121.223 -0.054 0.000 2.275 384 L HA 0.126 4.466 4.340 -0.001 0.000 0.215 384 L C 1.919 178.863 176.870 0.123 0.000 1.119 384 L CA 1.458 56.365 54.840 0.112 0.000 0.790 384 L CB -1.187 40.931 42.059 0.098 0.000 0.919 384 L HN 0.189 nan 8.230 nan 0.000 0.443 385 Y N 0.037 120.187 120.300 -0.251 0.000 2.471 385 Y HA 0.129 4.678 4.550 -0.001 0.000 0.286 385 Y C 0.782 176.351 175.900 -0.551 0.000 1.188 385 Y CA -0.211 57.456 58.100 -0.721 0.000 1.286 385 Y CB -0.185 37.838 38.460 -0.729 0.000 1.072 385 Y HN 0.291 nan 8.280 nan 0.000 0.517 386 H N 0.078 119.072 119.070 -0.127 0.000 3.198 386 H HA -0.079 4.477 4.556 -0.001 0.000 0.255 386 H C -0.552 174.865 175.328 0.149 0.000 1.729 386 H CA -0.280 55.699 56.048 -0.116 0.000 1.495 386 H CB -0.349 29.357 29.762 -0.094 0.000 1.807 386 H HN 0.383 nan 8.280 nan 0.000 0.554 387 W N 1.771 123.062 121.300 -0.015 0.000 2.237 387 W HA 0.117 4.777 4.660 -0.001 0.000 0.420 387 W C 0.748 177.309 176.519 0.070 0.000 0.635 387 W CA -0.893 56.519 57.345 0.111 0.000 2.255 387 W CB -1.225 28.375 29.460 0.233 0.000 1.432 387 W HN 0.656 nan 8.180 nan 0.000 0.643 388 H N 0.370 119.696 119.070 0.426 0.000 2.491 388 H HA -0.096 4.460 4.556 -0.000 0.000 0.290 388 H C -0.537 174.946 175.328 0.259 0.000 1.050 388 H CA 1.187 57.419 56.048 0.307 0.000 1.309 388 H CB -0.897 29.026 29.762 0.269 0.000 1.392 388 H HN 0.021 nan 8.280 nan 0.000 0.554 389 P HA -0.131 nan 4.420 nan 0.000 0.222 389 P C 1.081 178.505 177.300 0.206 0.000 1.147 389 P CA 0.963 64.192 63.100 0.215 0.000 0.790 389 P CB 0.025 31.799 31.700 0.124 0.000 0.780 390 L N -1.641 119.721 121.223 0.232 0.000 2.129 390 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 390 L C 1.165 178.153 176.870 0.196 0.000 1.087 390 L CA 0.696 55.663 54.840 0.211 0.000 0.757 390 L CB -0.915 41.302 42.059 0.263 0.000 0.896 390 L HN 0.016 nan 8.230 nan 0.000 0.434 391 L N 1.461 122.817 121.223 0.221 0.000 2.453 391 L HA 0.105 4.445 4.340 -0.001 0.000 0.272 391 L C -1.783 175.150 176.870 0.106 0.000 1.182 391 L CA -1.525 53.416 54.840 0.168 0.000 0.858 391 L CB -0.064 42.237 42.059 0.403 0.000 1.120 391 L HN -0.098 nan 8.230 nan 0.000 0.474 392 P HA 0.111 nan 4.420 nan 0.000 0.277 392 P C -0.394 176.692 177.300 -0.356 0.000 1.271 392 P CA -0.449 62.376 63.100 -0.459 0.000 0.795 392 P CB 1.057 32.345 31.700 -0.686 0.000 1.101 393 D N -1.156 119.011 120.400 -0.389 0.000 2.149 393 D HA -0.028 4.612 4.640 -0.001 0.000 0.201 393 D C 0.895 177.094 176.300 -0.170 0.000 0.972 393 D CA 1.678 55.602 54.000 -0.126 0.000 0.835 393 D CB -0.195 40.522 40.800 -0.139 0.000 0.966 393 D HN 0.541 nan 8.370 nan 0.000 0.476 394 T N -2.566 111.740 114.554 -0.412 0.000 2.896 394 T HA 0.583 4.932 4.350 -0.001 0.000 0.297 394 T C -0.766 173.545 174.700 -0.647 0.000 1.108 394 T CA -0.925 60.937 62.100 -0.398 0.000 1.004 394 T CB 1.351 70.116 68.868 -0.171 0.000 1.159 394 T HN -0.204 nan 8.240 nan 0.000 0.499 395 F N 1.999 121.774 119.950 -0.292 0.000 2.361 395 F HA 0.452 4.979 4.527 -0.001 0.000 0.364 395 F C 0.377 176.132 175.800 -0.076 0.000 1.120 395 F CA -1.017 56.812 58.000 -0.285 0.000 1.102 395 F CB 0.983 39.447 39.000 -0.892 0.000 1.183 395 F HN 0.423 nan 8.300 nan 0.000 0.476 396 N N 5.528 124.269 118.700 0.068 0.000 2.527 396 N HA 0.407 5.147 4.740 -0.001 0.000 0.236 396 N C -0.738 174.670 175.510 -0.170 0.000 0.999 396 N CA -0.129 52.887 53.050 -0.057 0.000 0.935 396 N CB 1.150 39.589 38.487 -0.081 0.000 1.132 396 N HN 0.500 nan 8.380 nan 0.000 0.511 397 I N 0.914 121.341 120.570 -0.238 0.000 2.389 397 I HA 0.159 4.329 4.170 -0.001 0.000 0.288 397 I C 1.054 176.928 176.117 -0.406 0.000 0.999 397 I CA -0.465 60.538 61.300 -0.495 0.000 1.129 397 I CB 1.352 38.909 38.000 -0.739 0.000 1.288 397 I HN 0.538 nan 8.210 nan 0.000 0.444 398 E N 3.849 123.874 120.200 -0.292 0.000 3.211 398 E HA -0.348 4.002 4.350 -0.001 0.000 0.393 398 E C 0.089 176.638 176.600 -0.085 0.000 1.515 398 E CA 2.285 58.614 56.400 -0.119 0.000 1.385 398 E CB -0.445 29.261 29.700 0.009 0.000 1.616 398 E HN 0.937 nan 8.360 nan 0.000 0.489 399 D N 0.553 120.933 120.400 -0.032 0.000 2.363 399 D HA 0.065 4.705 4.640 -0.001 0.000 0.214 399 D C -0.038 176.212 176.300 -0.084 0.000 1.093 399 D CA 0.192 54.166 54.000 -0.043 0.000 0.837 399 D CB 0.216 41.010 40.800 -0.010 0.000 0.948 399 D HN 0.101 nan 8.370 nan 0.000 0.507 400 Q N 0.621 120.338 119.800 -0.138 0.000 2.235 400 Q HA 0.432 4.771 4.340 -0.001 0.000 0.256 400 Q C -0.497 175.283 176.000 -0.367 0.000 0.951 400 Q CA -0.204 55.414 55.803 -0.309 0.000 0.890 400 Q CB 2.038 30.484 28.738 -0.485 0.000 1.279 400 Q HN 0.263 nan 8.270 nan 0.000 0.444 401 E N 2.068 122.032 120.200 -0.394 0.000 2.331 401 E HA 0.248 4.598 4.350 -0.001 0.000 0.243 401 E C -1.123 175.346 176.600 -0.218 0.000 0.925 401 E CA -0.286 55.968 56.400 -0.243 0.000 0.760 401 E CB 0.838 30.449 29.700 -0.148 0.000 1.254 401 E HN 0.374 nan 8.360 nan 0.000 0.419 402 Y N 1.365 121.705 120.300 0.065 0.000 2.335 402 Y HA 0.081 4.631 4.550 -0.001 0.000 0.331 402 Y C 1.302 177.290 175.900 0.147 0.000 1.094 402 Y CA -0.533 57.656 58.100 0.148 0.000 1.253 402 Y CB 0.926 39.548 38.460 0.270 0.000 1.203 402 Y HN 0.348 nan 8.280 nan 0.000 0.508 403 S N 1.658 117.551 115.700 0.322 0.000 2.608 403 S HA 0.119 4.588 4.470 -0.001 0.000 0.261 403 S C 0.872 175.719 174.600 0.411 0.000 1.314 403 S CA -0.543 57.843 58.200 0.309 0.000 0.992 403 S CB 0.340 63.702 63.200 0.270 0.000 0.935 403 S HN 0.568 nan 8.310 nan 0.000 0.564 404 F N 0.946 121.107 119.950 0.352 0.000 2.126 404 F HA -0.049 4.477 4.527 -0.001 0.000 0.299 404 F C 2.620 178.600 175.800 0.301 0.000 1.096 404 F CA 2.008 60.243 58.000 0.392 0.000 1.255 404 F CB -0.395 38.784 39.000 0.299 0.000 0.997 404 F HN 0.683 nan 8.300 nan 0.000 0.479 405 K N 0.210 120.865 120.400 0.426 0.000 2.063 405 K HA -0.246 4.074 4.320 -0.001 0.000 0.208 405 K C 1.948 178.710 176.600 0.271 0.000 1.048 405 K CA 1.816 58.282 56.287 0.298 0.000 0.928 405 K CB -0.174 32.463 32.500 0.229 0.000 0.713 405 K HN 0.367 nan 8.250 nan 0.000 0.442 406 Q N -1.122 118.858 119.800 0.301 0.000 2.245 406 Q HA -0.092 4.247 4.340 -0.001 0.000 0.201 406 Q C 1.720 177.862 176.000 0.236 0.000 0.955 406 Q CA 0.850 56.824 55.803 0.284 0.000 0.870 406 Q CB 0.049 29.020 28.738 0.390 0.000 0.945 406 Q HN 0.246 nan 8.270 nan 0.000 0.461 407 F N 0.600 120.581 119.950 0.052 0.000 2.270 407 F HA 0.045 4.572 4.527 -0.001 0.000 0.295 407 F C 0.390 176.115 175.800 -0.125 0.000 1.087 407 F CA 0.050 57.966 58.000 -0.140 0.000 1.365 407 F CB 0.278 39.075 39.000 -0.340 0.000 1.056 407 F HN -0.048 nan 8.300 nan 0.000 0.506 408 L N 0.913 122.184 121.223 0.079 0.000 2.455 408 L HA -0.028 4.311 4.340 -0.001 0.000 0.272 408 L C -0.349 176.539 176.870 0.029 0.000 1.174 408 L CA 0.202 55.033 54.840 -0.015 0.000 0.869 408 L CB -1.139 41.004 42.059 0.141 0.000 1.130 408 L HN 0.291 nan 8.230 nan 0.000 0.474 409 Y N 1.299 121.568 120.300 -0.052 0.000 3.491 409 Y HA -0.286 4.264 4.550 -0.000 0.000 0.215 409 Y C 0.691 176.548 175.900 -0.072 0.000 1.219 409 Y CA 0.542 58.628 58.100 -0.023 0.000 1.485 409 Y CB -1.505 36.975 38.460 0.032 0.000 1.450 409 Y HN 0.708 nan 8.280 nan 0.000 0.603 410 N N 0.700 119.345 118.700 -0.093 0.000 2.841 410 N HA 0.222 4.961 4.740 -0.001 0.000 0.257 410 N C 0.445 175.812 175.510 -0.238 0.000 1.396 410 N CA -0.271 52.693 53.050 -0.144 0.000 0.823 410 N CB 0.141 38.544 38.487 -0.139 0.000 1.162 410 N HN 0.157 nan 8.380 nan 0.000 0.503 411 N N -0.223 118.336 118.700 -0.235 0.000 2.453 411 N HA -0.127 4.613 4.740 -0.001 0.000 0.183 411 N C 1.635 176.985 175.510 -0.268 0.000 1.041 411 N CA 0.675 53.552 53.050 -0.287 0.000 0.900 411 N CB 0.102 38.295 38.487 -0.491 0.000 0.961 411 N HN 0.572 nan 8.380 nan 0.000 0.443 412 S N 0.625 116.188 115.700 -0.228 0.000 2.400 412 S HA -0.065 4.404 4.470 -0.001 0.000 0.232 412 S C 1.974 176.507 174.600 -0.112 0.000 1.025 412 S CA 0.499 58.597 58.200 -0.169 0.000 0.993 412 S CB -0.509 62.617 63.200 -0.123 0.000 0.808 412 S HN 0.263 nan 8.310 nan 0.000 0.478 413 I N 0.664 121.172 120.570 -0.104 0.000 2.226 413 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 413 I C 2.533 178.766 176.117 0.193 0.000 1.100 413 I CA 1.108 62.426 61.300 0.029 0.000 1.374 413 I CB -0.435 37.487 38.000 -0.130 0.000 1.057 413 I HN 0.306 nan 8.210 nan 0.000 0.413 414 L N 0.686 121.875 121.223 -0.057 0.000 2.017 414 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 414 L C 2.304 179.063 176.870 -0.185 0.000 1.073 414 L CA 1.807 56.412 54.840 -0.392 0.000 0.745 414 L CB -0.516 41.256 42.059 -0.477 0.000 0.894 414 L HN 0.131 nan 8.230 nan 0.000 0.432 415 L N -0.786 120.330 121.223 -0.178 0.000 2.083 415 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 415 L C 2.560 179.396 176.870 -0.057 0.000 1.083 415 L CA 1.413 56.155 54.840 -0.162 0.000 0.752 415 L CB -0.368 41.564 42.059 -0.210 0.000 0.899 415 L HN 0.367 nan 8.230 nan 0.000 0.433 416 E N -0.557 119.604 120.200 -0.065 0.000 2.051 416 E HA -0.221 4.129 4.350 -0.001 0.000 0.192 416 E C 2.134 178.651 176.600 -0.139 0.000 0.991 416 E CA 1.596 57.919 56.400 -0.129 0.000 0.799 416 E CB 0.020 29.592 29.700 -0.215 0.000 0.748 416 E HN 0.463 nan 8.360 nan 0.000 0.449 417 H N -0.918 118.237 119.070 0.142 0.000 2.486 417 H HA 0.283 4.839 4.556 -0.001 0.000 0.287 417 H C 1.052 176.467 175.328 0.145 0.000 1.010 417 H CA 0.984 57.139 56.048 0.178 0.000 1.324 417 H CB 0.258 30.201 29.762 0.301 0.000 1.446 417 H HN 0.272 nan 8.280 nan 0.000 0.537 418 G N 0.337 109.265 108.800 0.213 0.000 2.730 418 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.686 418 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.686 418 G C 0.640 175.591 174.900 0.085 0.000 1.343 418 G CA -0.088 45.087 45.100 0.126 0.000 0.826 418 G HN 0.245 nan 8.290 nan 0.000 0.582 419 L N 0.436 121.655 121.223 -0.007 0.000 2.083 419 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 419 L C 3.286 180.175 176.870 0.032 0.000 1.083 419 L CA 2.321 57.132 54.840 -0.048 0.000 0.752 419 L CB -0.739 41.241 42.059 -0.131 0.000 0.899 419 L HN 0.835 nan 8.230 nan 0.000 0.433 420 T N -1.266 113.301 114.554 0.022 0.000 2.652 420 T HA -0.301 4.049 4.350 -0.001 0.000 0.267 420 T C 1.790 176.524 174.700 0.057 0.000 1.039 420 T CA 1.635 63.749 62.100 0.024 0.000 1.153 420 T CB -0.208 68.669 68.868 0.016 0.000 0.863 420 T HN 0.189 nan 8.240 nan 0.000 0.428 421 Q N 0.076 119.935 119.800 0.098 0.000 2.119 421 Q HA -0.002 4.338 4.340 -0.001 0.000 0.201 421 Q C 1.842 177.858 176.000 0.026 0.000 0.972 421 Q CA 1.367 57.218 55.803 0.079 0.000 0.847 421 Q CB -0.681 28.142 28.738 0.141 0.000 0.903 421 Q HN 0.480 nan 8.270 nan 0.000 0.433 422 F N -0.812 119.056 119.950 -0.136 0.000 2.069 422 F HA -0.223 4.304 4.527 -0.001 0.000 0.298 422 F C 2.227 177.926 175.800 -0.168 0.000 1.113 422 F CA 1.327 59.178 58.000 -0.249 0.000 1.214 422 F CB -0.761 38.169 39.000 -0.116 0.000 0.978 422 F HN -0.055 nan 8.300 nan 0.000 0.474 423 V N -0.184 119.799 119.914 0.115 0.000 2.295 423 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 423 V C 2.184 178.307 176.094 0.049 0.000 1.049 423 V CA 2.168 64.511 62.300 0.072 0.000 1.024 423 V CB -0.693 31.134 31.823 0.007 0.000 0.648 423 V HN 0.320 nan 8.190 nan 0.000 0.447 424 E N 0.084 120.297 120.200 0.021 0.000 2.085 424 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 424 E C 2.417 179.018 176.600 0.000 0.000 0.994 424 E CA 1.709 58.125 56.400 0.026 0.000 0.801 424 E CB -0.220 29.492 29.700 0.019 0.000 0.743 424 E HN 0.526 nan 8.360 nan 0.000 0.453 425 S N 0.245 115.882 115.700 -0.105 0.000 2.357 425 S HA -0.072 4.398 4.470 -0.001 0.000 0.221 425 S C 1.582 176.161 174.600 -0.035 0.000 1.031 425 S CA 0.770 58.863 58.200 -0.179 0.000 0.982 425 S CB -0.164 62.763 63.200 -0.456 0.000 0.853 425 S HN 0.167 nan 8.310 nan 0.000 0.458 426 F N 2.197 122.160 119.950 0.021 0.000 2.407 426 F HA 0.037 4.564 4.527 -0.001 0.000 0.299 426 F C 2.577 178.447 175.800 0.118 0.000 1.097 426 F CA 0.397 58.455 58.000 0.096 0.000 1.422 426 F CB -1.554 37.555 39.000 0.181 0.000 1.067 426 F HN 0.134 nan 8.300 nan 0.000 0.539 427 T N -0.529 114.174 114.554 0.248 0.000 2.867 427 T HA -0.121 4.229 4.350 -0.001 0.000 0.268 427 T C 2.118 176.916 174.700 0.163 0.000 1.057 427 T CA 1.053 63.260 62.100 0.177 0.000 1.136 427 T CB -0.086 68.851 68.868 0.116 0.000 0.874 427 T HN 0.220 nan 8.240 nan 0.000 0.466 428 R N 0.555 121.138 120.500 0.140 0.000 2.210 428 R HA 0.165 4.505 4.340 -0.001 0.000 0.203 428 R C 1.280 177.641 176.300 0.100 0.000 1.010 428 R CA 0.162 56.323 56.100 0.103 0.000 1.008 428 R CB 0.150 30.486 30.300 0.061 0.000 0.923 428 R HN 0.393 nan 8.270 nan 0.000 0.469 429 Q N 1.668 121.552 119.800 0.141 0.000 2.294 429 Q HA 0.204 4.544 4.340 -0.001 0.000 0.257 429 Q C -0.703 175.367 176.000 0.115 0.000 0.955 429 Q CA -0.194 55.679 55.803 0.117 0.000 0.936 429 Q CB 0.962 29.795 28.738 0.158 0.000 1.188 429 Q HN 0.145 nan 8.270 nan 0.000 0.420 430 I N 3.040 123.667 120.570 0.096 0.000 2.575 430 I HA 0.293 4.463 4.170 -0.001 0.000 0.285 430 I C -0.235 175.992 176.117 0.182 0.000 1.085 430 I CA -0.029 61.349 61.300 0.131 0.000 1.403 430 I CB 0.879 38.967 38.000 0.147 0.000 1.409 430 I HN 0.810 nan 8.210 nan 0.000 0.557 431 A N 5.269 128.196 122.820 0.177 0.000 2.252 431 A HA 0.710 5.029 4.320 -0.001 0.000 0.305 431 A C 0.169 177.898 177.584 0.241 0.000 1.097 431 A CA -0.161 52.000 52.037 0.208 0.000 0.849 431 A CB 0.625 19.722 19.000 0.162 0.000 1.142 431 A HN 0.835 nan 8.150 nan 0.000 0.499 432 G N -0.430 108.515 108.800 0.242 0.000 2.507 432 G HA2 0.471 4.431 3.960 -0.001 0.000 0.271 432 G HA3 0.471 4.431 3.960 -0.001 0.000 0.271 432 G C 0.105 174.933 174.900 -0.121 0.000 1.189 432 G CA -0.613 44.463 45.100 -0.039 0.000 0.859 432 G HN 0.855 nan 8.290 nan 0.000 0.542 433 R N 0.667 121.025 120.500 -0.237 0.000 2.491 433 R HA 0.237 4.577 4.340 -0.001 0.000 0.283 433 R C 0.871 177.080 176.300 -0.152 0.000 1.072 433 R CA -0.473 55.493 56.100 -0.223 0.000 1.048 433 R CB 0.911 31.071 30.300 -0.233 0.000 0.983 433 R HN 0.259 nan 8.270 nan 0.000 0.450 434 V N 3.590 123.401 119.914 -0.171 0.000 2.426 434 V HA 0.064 4.184 4.120 -0.001 0.000 0.242 434 V C 1.047 177.118 176.094 -0.037 0.000 1.036 434 V CA 1.493 63.752 62.300 -0.068 0.000 1.044 434 V CB -0.352 31.435 31.823 -0.061 0.000 0.688 434 V HN 0.901 nan 8.190 nan 0.000 0.462 435 A N -0.490 122.305 122.820 -0.042 0.000 2.249 435 A HA 0.532 4.851 4.320 -0.001 0.000 0.281 435 A C 1.537 179.078 177.584 -0.072 0.000 1.127 435 A CA 0.557 52.572 52.037 -0.038 0.000 0.833 435 A CB -0.198 18.796 19.000 -0.011 0.000 1.140 435 A HN 1.364 nan 8.150 nan 0.000 0.502 436 G N -1.961 106.799 108.800 -0.066 0.000 2.195 436 G HA2 0.342 4.302 3.960 -0.001 0.000 0.246 436 G HA3 0.342 4.302 3.960 -0.001 0.000 0.246 436 G C 1.623 176.485 174.900 -0.063 0.000 0.984 436 G CA 0.650 45.708 45.100 -0.070 0.000 0.633 436 G HN 3.082 nan 8.290 nan 0.000 0.525 437 G N -0.728 108.036 108.800 -0.059 0.000 2.730 437 G HA2 0.302 4.262 3.960 -0.001 0.000 0.686 437 G HA3 0.302 4.262 3.960 -0.001 0.000 0.686 437 G C 0.224 175.100 174.900 -0.039 0.000 1.343 437 G CA 0.312 45.384 45.100 -0.046 0.000 0.826 437 G HN 1.659 nan 8.290 nan 0.000 0.582 438 R N -0.860 119.626 120.500 -0.022 0.000 3.251 438 R HA -0.221 4.119 4.340 -0.001 0.000 0.249 438 R C 0.509 176.803 176.300 -0.010 0.000 0.949 438 R CA 1.076 57.170 56.100 -0.011 0.000 0.645 438 R CB -1.180 29.111 30.300 -0.015 0.000 1.065 438 R HN 0.705 nan 8.270 nan 0.000 0.452 439 N N -0.713 117.988 118.700 0.002 0.000 2.217 439 N HA 0.093 4.833 4.740 -0.001 0.000 0.239 439 N C -0.948 174.606 175.510 0.074 0.000 1.330 439 N CA -0.030 53.029 53.050 0.014 0.000 0.838 439 N CB 1.189 39.650 38.487 -0.044 0.000 1.287 439 N HN 0.056 nan 8.380 nan 0.000 0.498 440 V N 3.534 123.497 119.914 0.081 0.000 2.427 440 V HA 0.337 4.457 4.120 -0.001 0.000 0.268 440 V C -1.958 174.185 176.094 0.081 0.000 1.046 440 V CA -1.322 61.048 62.300 0.117 0.000 0.970 440 V CB 0.945 32.841 31.823 0.123 0.000 1.001 440 V HN 0.128 nan 8.190 nan 0.000 0.476 441 P HA 0.115 nan 4.420 nan 0.000 0.268 441 P C 1.008 178.256 177.300 -0.086 0.000 1.204 441 P CA 0.050 63.156 63.100 0.010 0.000 0.768 441 P CB 1.084 32.789 31.700 0.008 0.000 0.842 442 I N 2.819 123.340 120.570 -0.081 0.000 2.454 442 I HA -0.283 3.886 4.170 -0.001 0.000 0.254 442 I C 2.039 178.059 176.117 -0.161 0.000 1.156 442 I CA 1.457 62.706 61.300 -0.085 0.000 1.433 442 I CB -0.187 37.786 38.000 -0.045 0.000 1.082 442 I HN 0.382 nan 8.210 nan 0.000 0.432 443 A N 0.067 122.697 122.820 -0.317 0.000 2.024 443 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 443 A C 1.835 179.205 177.584 -0.356 0.000 1.164 443 A CA 1.958 53.725 52.037 -0.450 0.000 0.643 443 A CB -0.837 17.508 19.000 -1.093 0.000 0.806 443 A HN 0.503 nan 8.150 nan 0.000 0.451 444 V N -1.739 117.983 119.914 -0.321 0.000 3.043 444 V HA 0.140 4.260 4.120 -0.001 0.000 0.357 444 V C 1.406 177.414 176.094 -0.142 0.000 1.372 444 V CA 0.465 62.636 62.300 -0.215 0.000 1.214 444 V CB -0.814 30.863 31.823 -0.242 0.000 1.224 444 V HN 0.717 nan 8.190 nan 0.000 0.507 445 Q N 1.674 121.417 119.800 -0.095 0.000 2.124 445 Q HA -0.094 4.246 4.340 -0.001 0.000 0.202 445 Q C 2.018 178.004 176.000 -0.024 0.000 0.977 445 Q CA 2.254 58.034 55.803 -0.038 0.000 0.850 445 Q CB -0.462 28.260 28.738 -0.027 0.000 0.901 445 Q HN 0.622 nan 8.270 nan 0.000 0.429 446 A N 1.065 123.862 122.820 -0.038 0.000 1.969 446 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 446 A C 2.313 179.883 177.584 -0.024 0.000 1.169 446 A CA 1.360 53.382 52.037 -0.024 0.000 0.635 446 A CB -0.578 18.409 19.000 -0.022 0.000 0.810 446 A HN 0.260 nan 8.150 nan 0.000 0.445 447 V N -0.228 119.652 119.914 -0.057 0.000 2.358 447 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 447 V C 3.021 179.127 176.094 0.021 0.000 1.047 447 V CA 1.786 64.054 62.300 -0.053 0.000 1.035 447 V CB -1.246 30.452 31.823 -0.208 0.000 0.658 447 V HN 0.586 nan 8.190 nan 0.000 0.452 448 A N -0.104 122.740 122.820 0.039 0.000 1.902 448 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 448 A C 2.351 180.017 177.584 0.137 0.000 1.181 448 A CA 2.150 54.303 52.037 0.193 0.000 0.623 448 A CB -0.478 18.659 19.000 0.229 0.000 0.818 448 A HN 0.511 nan 8.150 nan 0.000 0.443 449 K N -0.307 120.135 120.400 0.070 0.000 2.097 449 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 449 K C 2.120 178.724 176.600 0.007 0.000 1.049 449 K CA 1.143 57.457 56.287 0.045 0.000 0.933 449 K CB -0.314 32.200 32.500 0.024 0.000 0.717 449 K HN 0.368 nan 8.250 nan 0.000 0.442 450 A N 0.526 123.340 122.820 -0.010 0.000 1.933 450 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 450 A C 2.133 179.650 177.584 -0.111 0.000 1.175 450 A CA 1.991 54.005 52.037 -0.037 0.000 0.628 450 A CB -0.568 18.424 19.000 -0.014 0.000 0.814 450 A HN 0.346 nan 8.150 nan 0.000 0.444 451 S N -0.226 115.366 115.700 -0.180 0.000 2.370 451 S HA -0.125 4.345 4.470 -0.001 0.000 0.226 451 S C 1.784 176.157 174.600 -0.379 0.000 1.033 451 S CA 1.543 59.449 58.200 -0.490 0.000 1.011 451 S CB -0.462 62.142 63.200 -0.994 0.000 0.852 451 S HN 0.572 nan 8.310 nan 0.000 0.457 452 I N 1.524 122.018 120.570 -0.128 0.000 2.193 452 I HA -0.162 4.008 4.170 -0.001 0.000 0.240 452 I C 2.035 178.107 176.117 -0.076 0.000 1.084 452 I CA 1.111 62.399 61.300 -0.020 0.000 1.365 452 I CB -0.426 37.629 38.000 0.092 0.000 1.064 452 I HN 0.149 nan 8.210 nan 0.000 0.410 453 D N 0.635 120.998 120.400 -0.063 0.000 2.117 453 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 453 D C 2.244 178.489 176.300 -0.091 0.000 0.987 453 D CA 1.301 55.269 54.000 -0.054 0.000 0.829 453 D CB -0.264 40.517 40.800 -0.031 0.000 0.961 453 D HN 0.452 nan 8.370 nan 0.000 0.460 454 Q N 0.193 119.910 119.800 -0.139 0.000 2.172 454 Q HA -0.021 4.319 4.340 -0.001 0.000 0.200 454 Q C 2.295 178.121 176.000 -0.290 0.000 0.964 454 Q CA 0.725 56.431 55.803 -0.161 0.000 0.855 454 Q CB 0.071 28.723 28.738 -0.142 0.000 0.918 454 Q HN 0.078 nan 8.270 nan 0.000 0.444 455 S N 0.790 116.217 115.700 -0.455 0.000 2.370 455 S HA -0.176 4.294 4.470 -0.001 0.000 0.226 455 S C 1.799 176.158 174.600 -0.402 0.000 1.033 455 S CA 1.265 58.981 58.200 -0.808 0.000 1.011 455 S CB -0.125 62.654 63.200 -0.701 0.000 0.852 455 S HN 0.332 nan 8.310 nan 0.000 0.457 456 R N 0.849 121.245 120.500 -0.172 0.000 2.075 456 R HA -0.015 4.325 4.340 -0.001 0.000 0.232 456 R C 2.475 178.769 176.300 -0.010 0.000 1.126 456 R CA 1.189 57.266 56.100 -0.038 0.000 0.963 456 R CB -0.273 30.023 30.300 -0.006 0.000 0.858 456 R HN 0.494 nan 8.270 nan 0.000 0.435 457 E N 0.930 121.111 120.200 -0.031 0.000 2.118 457 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 457 E C 1.535 178.158 176.600 0.039 0.000 0.992 457 E CA 1.143 57.549 56.400 0.010 0.000 0.804 457 E CB 0.091 29.795 29.700 0.007 0.000 0.741 457 E HN 0.284 nan 8.360 nan 0.000 0.458 458 M N 0.408 120.018 119.600 0.017 0.000 2.628 458 M HA 0.023 4.503 4.480 -0.001 0.000 0.232 458 M C -0.309 176.112 176.300 0.201 0.000 1.128 458 M CA 0.269 55.631 55.300 0.104 0.000 1.040 458 M CB 0.465 33.142 32.600 0.129 0.000 1.608 458 M HN -0.151 nan 8.290 nan 0.000 0.507 459 K N -0.123 120.369 120.400 0.154 0.000 3.148 459 K HA -0.193 4.127 4.320 -0.001 0.000 0.267 459 K C -1.241 175.525 176.600 0.276 0.000 0.996 459 K CA 0.698 57.086 56.287 0.168 0.000 0.737 459 K CB -2.614 29.953 32.500 0.111 0.000 1.308 459 K HN 0.299 nan 8.250 nan 0.000 0.470 460 Y N 1.249 121.602 120.300 0.088 0.000 2.610 460 Y HA -0.012 4.538 4.550 -0.000 0.000 0.332 460 Y C 1.858 177.864 175.900 0.176 0.000 1.201 460 Y CA -0.103 58.099 58.100 0.169 0.000 1.465 460 Y CB 0.453 39.009 38.460 0.160 0.000 1.283 460 Y HN 0.178 nan 8.280 nan 0.000 0.563 461 Q N 1.088 121.059 119.800 0.284 0.000 2.584 461 Q HA 0.196 4.535 4.340 -0.001 0.000 0.218 461 Q C 0.378 176.549 176.000 0.286 0.000 1.079 461 Q CA -0.194 55.692 55.803 0.139 0.000 1.008 461 Q CB 0.387 29.043 28.738 -0.138 0.000 1.267 461 Q HN 0.787 nan 8.270 nan 0.000 0.586 462 S N -0.264 115.535 115.700 0.164 0.000 2.624 462 S HA 0.041 4.510 4.470 -0.001 0.000 0.263 462 S C 0.941 175.697 174.600 0.261 0.000 1.287 462 S CA -0.650 57.662 58.200 0.185 0.000 0.990 462 S CB 0.549 63.803 63.200 0.090 0.000 0.950 462 S HN 0.646 nan 8.310 nan 0.000 0.561 463 L N 1.377 122.718 121.223 0.196 0.000 1.997 463 L HA -0.174 4.166 4.340 -0.001 0.000 0.216 463 L C 1.964 178.932 176.870 0.164 0.000 1.074 463 L CA 2.162 57.115 54.840 0.189 0.000 0.763 463 L CB -1.400 40.718 42.059 0.098 0.000 0.890 463 L HN 0.752 nan 8.230 nan 0.000 0.434 464 N N -0.408 118.341 118.700 0.081 0.000 2.244 464 N HA -0.141 4.599 4.740 -0.001 0.000 0.183 464 N C 1.742 177.252 175.510 0.001 0.000 1.016 464 N CA 1.150 54.214 53.050 0.024 0.000 0.866 464 N CB -0.227 38.252 38.487 -0.014 0.000 0.980 464 N HN 0.474 nan 8.380 nan 0.000 0.430 465 E N 0.035 120.226 120.200 -0.014 0.000 2.077 465 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 465 E C 1.757 178.276 176.600 -0.136 0.000 0.989 465 E CA 0.857 57.188 56.400 -0.114 0.000 0.800 465 E CB -0.440 29.145 29.700 -0.191 0.000 0.746 465 E HN 0.490 nan 8.360 nan 0.000 0.452 466 Y N 1.047 121.382 120.300 0.057 0.000 2.242 466 Y HA -0.098 4.452 4.550 -0.001 0.000 0.291 466 Y C 2.575 178.580 175.900 0.176 0.000 1.137 466 Y CA 1.159 59.344 58.100 0.141 0.000 1.181 466 Y CB -0.151 38.394 38.460 0.141 0.000 0.989 466 Y HN -0.027 nan 8.280 nan 0.000 0.527 467 R N 0.237 120.863 120.500 0.209 0.000 2.073 467 R HA -0.175 4.165 4.340 -0.001 0.000 0.234 467 R C 2.183 178.525 176.300 0.069 0.000 1.134 467 R CA 1.689 57.853 56.100 0.107 0.000 0.952 467 R CB -0.253 30.034 30.300 -0.023 0.000 0.850 467 R HN 0.298 nan 8.270 nan 0.000 0.433 468 K N 0.054 120.456 120.400 0.003 0.000 2.063 468 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 468 K C 2.127 178.690 176.600 -0.061 0.000 1.048 468 K CA 1.364 57.622 56.287 -0.049 0.000 0.928 468 K CB -0.156 32.288 32.500 -0.092 0.000 0.713 468 K HN -0.057 nan 8.250 nan 0.000 0.442 469 R N 0.745 121.207 120.500 -0.063 0.000 2.127 469 R HA -0.111 4.229 4.340 -0.001 0.000 0.238 469 R C 0.855 176.936 176.300 -0.365 0.000 1.134 469 R CA 1.502 57.482 56.100 -0.199 0.000 0.975 469 R CB -0.271 29.915 30.300 -0.191 0.000 0.865 469 R HN 0.090 nan 8.270 nan 0.000 0.447 470 F N 0.357 120.293 119.950 -0.023 0.000 2.750 470 F HA 0.309 4.836 4.527 -0.001 0.000 0.297 470 F C 0.347 176.133 175.800 -0.024 0.000 1.138 470 F CA -0.032 57.949 58.000 -0.030 0.000 1.346 470 F CB 0.376 39.356 39.000 -0.034 0.000 0.965 470 F HN -0.079 nan 8.300 nan 0.000 0.514 471 S N 0.444 116.176 115.700 0.053 0.000 3.672 471 S HA -0.190 4.280 4.470 -0.001 0.000 0.319 471 S C -0.078 174.537 174.600 0.026 0.000 1.151 471 S CA 0.244 58.463 58.200 0.031 0.000 0.911 471 S CB -2.191 61.039 63.200 0.049 0.000 0.939 471 S HN 0.310 nan 8.310 nan 0.000 0.524 472 L N 0.329 121.561 121.223 0.014 0.000 2.334 472 L HA 0.504 4.843 4.340 -0.001 0.000 0.272 472 L C 0.615 177.431 176.870 -0.089 0.000 1.020 472 L CA -0.895 53.922 54.840 -0.038 0.000 0.812 472 L CB 0.895 42.924 42.059 -0.049 0.000 1.264 472 L HN -0.024 nan 8.230 nan 0.000 0.439 473 K N 2.068 122.390 120.400 -0.131 0.000 2.322 473 K HA 0.251 4.571 4.320 -0.001 0.000 0.283 473 K C -2.312 174.150 176.600 -0.231 0.000 1.042 473 K CA -1.567 54.632 56.287 -0.147 0.000 0.958 473 K CB 0.511 32.935 32.500 -0.127 0.000 0.984 473 K HN 0.230 nan 8.250 nan 0.000 0.473 474 P HA -0.081 nan 4.420 nan 0.000 0.266 474 P C -0.916 176.277 177.300 -0.178 0.000 1.195 474 P CA 0.259 63.260 63.100 -0.165 0.000 0.768 474 P CB 0.248 31.894 31.700 -0.090 0.000 0.838 475 Y N 0.544 120.797 120.300 -0.079 0.000 2.511 475 Y HA 0.034 4.584 4.550 -0.000 0.000 0.332 475 Y C 2.125 177.949 175.900 -0.125 0.000 1.177 475 Y CA 0.407 58.445 58.100 -0.104 0.000 1.422 475 Y CB 0.345 38.721 38.460 -0.140 0.000 1.271 475 Y HN 0.406 nan 8.280 nan 0.000 0.550 476 T N -2.532 112.071 114.554 0.081 0.000 3.060 476 T HA 0.185 4.535 4.350 -0.001 0.000 0.249 476 T C 0.226 174.907 174.700 -0.032 0.000 1.079 476 T CA 0.327 62.430 62.100 0.005 0.000 1.013 476 T CB -0.046 68.830 68.868 0.014 0.000 0.975 476 T HN 0.511 nan 8.240 nan 0.000 0.518 477 S N -0.993 114.671 115.700 -0.060 0.000 2.615 477 S HA 0.587 5.057 4.470 -0.001 0.000 0.269 477 S C -0.204 174.272 174.600 -0.206 0.000 1.161 477 S CA -0.940 57.203 58.200 -0.095 0.000 0.817 477 S CB 0.284 63.493 63.200 0.015 0.000 1.131 477 S HN -0.069 nan 8.310 nan 0.000 0.467 478 F N 1.087 121.007 119.950 -0.050 0.000 2.259 478 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 478 F C 2.533 178.261 175.800 -0.120 0.000 1.088 478 F CA 1.305 59.247 58.000 -0.097 0.000 1.358 478 F CB -0.286 38.681 39.000 -0.055 0.000 1.040 478 F HN 0.685 nan 8.300 nan 0.000 0.505 479 E N 0.085 120.339 120.200 0.091 0.000 2.110 479 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 479 E C 2.060 178.632 176.600 -0.046 0.000 0.988 479 E CA 1.166 57.577 56.400 0.019 0.000 0.804 479 E CB -0.246 29.474 29.700 0.032 0.000 0.745 479 E HN 0.517 nan 8.360 nan 0.000 0.458 480 E N 0.781 120.941 120.200 -0.067 0.000 2.077 480 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 480 E C 2.188 178.594 176.600 -0.322 0.000 0.989 480 E CA 0.590 56.944 56.400 -0.077 0.000 0.800 480 E CB 0.027 29.761 29.700 0.057 0.000 0.746 480 E HN 0.093 nan 8.360 nan 0.000 0.452 481 L N 0.866 121.704 121.223 -0.641 0.000 1.989 481 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 481 L C 2.518 179.122 176.870 -0.444 0.000 1.071 481 L CA 2.849 57.087 54.840 -1.004 0.000 0.749 481 L CB -1.035 40.581 42.059 -0.739 0.000 0.890 481 L HN 0.307 nan 8.230 nan 0.000 0.431 482 T N -4.097 110.321 114.554 -0.227 0.000 3.054 482 T HA 0.256 4.605 4.350 -0.001 0.000 0.259 482 T C 1.554 176.203 174.700 -0.084 0.000 1.092 482 T CA 0.492 62.520 62.100 -0.121 0.000 1.121 482 T CB -0.382 68.449 68.868 -0.061 0.000 0.912 482 T HN 0.788 nan 8.240 nan 0.000 0.489 483 G N 1.833 110.588 108.800 -0.075 0.000 2.153 483 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.252 483 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.252 483 G C -0.165 174.720 174.900 -0.026 0.000 0.994 483 G CA 0.719 45.796 45.100 -0.039 0.000 0.698 483 G HN 1.038 nan 8.290 nan 0.000 0.521 484 E N -2.727 117.458 120.200 -0.025 0.000 2.421 484 E HA 0.811 5.161 4.350 -0.001 0.000 0.265 484 E C 0.682 177.277 176.600 -0.008 0.000 0.990 484 E CA -0.966 55.424 56.400 -0.017 0.000 0.874 484 E CB 0.282 29.970 29.700 -0.022 0.000 1.646 484 E HN -0.100 nan 8.360 nan 0.000 0.451 485 K N -0.088 120.307 120.400 -0.007 0.000 2.306 485 K HA 0.146 4.466 4.320 -0.001 0.000 0.200 485 K C 1.629 178.225 176.600 -0.008 0.000 1.083 485 K CA 0.829 57.115 56.287 -0.002 0.000 0.959 485 K CB 0.120 32.618 32.500 -0.002 0.000 0.994 485 K HN 0.672 nan 8.250 nan 0.000 0.492 486 E N 1.373 121.565 120.200 -0.013 0.000 2.015 486 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 486 E C 2.057 178.644 176.600 -0.023 0.000 0.991 486 E CA 0.984 57.373 56.400 -0.017 0.000 0.802 486 E CB 0.075 29.765 29.700 -0.017 0.000 0.759 486 E HN 0.089 nan 8.360 nan 0.000 0.447 487 M N 0.339 119.926 119.600 -0.020 0.000 2.159 487 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 487 M C 2.432 178.717 176.300 -0.025 0.000 1.063 487 M CA 1.366 56.654 55.300 -0.021 0.000 1.110 487 M CB -0.188 32.401 32.600 -0.017 0.000 1.374 487 M HN 0.227 nan 8.290 nan 0.000 0.411 488 A N 0.537 123.351 122.820 -0.009 0.000 1.902 488 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 488 A C 2.381 179.925 177.584 -0.067 0.000 1.181 488 A CA 1.997 54.044 52.037 0.016 0.000 0.623 488 A CB -0.887 18.148 19.000 0.058 0.000 0.818 488 A HN 0.502 nan 8.150 nan 0.000 0.443 489 A N -0.473 122.314 122.820 -0.056 0.000 1.898 489 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 489 A C 1.943 179.455 177.584 -0.120 0.000 1.181 489 A CA 1.599 53.589 52.037 -0.078 0.000 0.620 489 A CB -0.397 18.578 19.000 -0.042 0.000 0.819 489 A HN 0.471 nan 8.150 nan 0.000 0.442 490 E N 0.154 120.296 120.200 -0.097 0.000 2.077 490 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 490 E C 2.065 178.581 176.600 -0.141 0.000 0.989 490 E CA 0.941 57.285 56.400 -0.094 0.000 0.800 490 E CB -0.455 29.212 29.700 -0.055 0.000 0.746 490 E HN 0.672 nan 8.360 nan 0.000 0.452 491 L N 0.753 121.864 121.223 -0.187 0.000 2.056 491 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 491 L C 2.700 179.145 176.870 -0.710 0.000 1.078 491 L CA 1.213 55.893 54.840 -0.267 0.000 0.749 491 L CB -0.346 41.590 42.059 -0.205 0.000 0.901 491 L HN 0.072 nan 8.230 nan 0.000 0.433 492 K N 0.280 120.103 120.400 -0.962 0.000 2.097 492 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 492 K C 2.099 178.503 176.600 -0.327 0.000 1.049 492 K CA 1.344 57.111 56.287 -0.867 0.000 0.933 492 K CB -0.073 32.196 32.500 -0.386 0.000 0.717 492 K HN 0.279 nan 8.250 nan 0.000 0.442 493 A N 0.887 123.573 122.820 -0.223 0.000 1.930 493 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 493 A C 2.038 179.549 177.584 -0.122 0.000 1.175 493 A CA 1.122 53.083 52.037 -0.125 0.000 0.627 493 A CB -0.419 18.523 19.000 -0.097 0.000 0.815 493 A HN 0.295 nan 8.150 nan 0.000 0.443 494 L N -2.776 118.353 121.223 -0.157 0.000 2.068 494 L HA -0.100 4.240 4.340 -0.001 0.000 0.204 494 L C 2.366 179.088 176.870 -0.247 0.000 1.076 494 L CA 1.273 55.984 54.840 -0.215 0.000 0.753 494 L CB -0.392 41.502 42.059 -0.275 0.000 0.910 494 L HN 0.477 nan 8.230 nan 0.000 0.439 495 Y N -1.632 118.611 120.300 -0.096 0.000 2.509 495 Y HA 0.023 4.573 4.550 -0.000 0.000 0.270 495 Y C 2.034 177.995 175.900 0.101 0.000 1.103 495 Y CA 0.513 58.640 58.100 0.045 0.000 1.278 495 Y CB 0.590 39.169 38.460 0.198 0.000 1.087 495 Y HN 0.080 nan 8.280 nan 0.000 0.542 496 S N -0.956 114.852 115.700 0.180 0.000 1.619 496 S HA -0.276 4.193 4.470 -0.001 0.000 0.235 496 S C -0.039 174.748 174.600 0.313 0.000 0.805 496 S CA 1.808 60.113 58.200 0.175 0.000 1.403 496 S CB -1.191 62.078 63.200 0.116 0.000 1.782 496 S HN 0.534 nan 8.310 nan 0.000 0.524 497 D N 0.266 120.882 120.400 0.359 0.000 2.391 497 D HA 0.564 5.204 4.640 -0.001 0.000 0.245 497 D C 0.607 177.031 176.300 0.208 0.000 1.069 497 D CA -0.525 53.632 54.000 0.261 0.000 0.831 497 D CB 1.262 42.152 40.800 0.149 0.000 1.204 497 D HN 0.101 nan 8.370 nan 0.000 0.503 498 I N 2.983 123.479 120.570 -0.122 0.000 2.335 498 I HA -0.192 3.977 4.170 -0.001 0.000 0.251 498 I C 1.069 177.035 176.117 -0.251 0.000 1.129 498 I CA 1.473 62.401 61.300 -0.619 0.000 1.402 498 I CB -0.011 37.593 38.000 -0.659 0.000 1.069 498 I HN 0.366 nan 8.210 nan 0.000 0.424 499 D N -0.408 119.937 120.400 -0.091 0.000 2.378 499 D HA -0.004 4.636 4.640 -0.001 0.000 0.227 499 D C 1.794 178.100 176.300 0.012 0.000 1.012 499 D CA 0.629 54.608 54.000 -0.035 0.000 0.905 499 D CB 0.231 41.021 40.800 -0.016 0.000 0.895 499 D HN 0.286 nan 8.370 nan 0.000 0.532 500 V N 0.451 120.396 119.914 0.052 0.000 3.528 500 V HA 0.120 4.240 4.120 -0.001 0.000 0.294 500 V C 0.574 176.725 176.094 0.096 0.000 1.404 500 V CA -0.279 62.093 62.300 0.121 0.000 1.065 500 V CB 0.069 32.009 31.823 0.195 0.000 0.904 500 V HN 0.074 nan 8.190 nan 0.000 0.435 501 M N 1.552 121.098 119.600 -0.090 0.000 2.250 501 M HA 0.116 4.596 4.480 -0.001 0.000 0.337 501 M C 0.271 176.479 176.300 -0.153 0.000 1.161 501 M CA 0.604 55.676 55.300 -0.380 0.000 1.088 501 M CB -0.135 32.269 32.600 -0.325 0.000 1.639 501 M HN 0.290 nan 8.290 nan 0.000 0.447 502 E N 3.023 123.128 120.200 -0.158 0.000 2.283 502 E HA 0.134 4.483 4.350 -0.001 0.000 0.271 502 E C 0.527 177.168 176.600 0.068 0.000 1.031 502 E CA -0.601 55.841 56.400 0.069 0.000 0.868 502 E CB 1.105 30.907 29.700 0.171 0.000 1.094 502 E HN 0.767 nan 8.360 nan 0.000 0.401 503 L N 2.978 124.285 121.223 0.141 0.000 1.994 503 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 503 L C 2.021 178.948 176.870 0.095 0.000 1.071 503 L CA 1.896 56.802 54.840 0.110 0.000 0.745 503 L CB -0.656 41.445 42.059 0.070 0.000 0.892 503 L HN 0.694 nan 8.230 nan 0.000 0.431 504 Y N 1.471 121.774 120.300 0.005 0.000 2.114 504 Y HA -0.099 4.451 4.550 -0.001 0.000 0.284 504 Y C -0.606 175.307 175.900 0.022 0.000 1.143 504 Y CA 1.925 60.018 58.100 -0.011 0.000 1.135 504 Y CB -1.857 36.563 38.460 -0.065 0.000 0.980 504 Y HN 0.269 nan 8.280 nan 0.000 0.499 505 P HA -0.168 nan 4.420 nan 0.000 0.218 505 P C 1.315 178.528 177.300 -0.144 0.000 1.149 505 P CA 2.246 65.251 63.100 -0.158 0.000 0.817 505 P CB -0.340 31.386 31.700 0.043 0.000 0.785 506 A N 0.255 123.021 122.820 -0.090 0.000 1.902 506 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 506 A C 2.396 179.931 177.584 -0.081 0.000 1.181 506 A CA 1.389 53.381 52.037 -0.074 0.000 0.623 506 A CB -1.636 17.344 19.000 -0.033 0.000 0.818 506 A HN 0.133 nan 8.150 nan 0.000 0.443 507 L N -0.685 120.479 121.223 -0.098 0.000 2.079 507 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 507 L C 2.283 179.088 176.870 -0.109 0.000 1.081 507 L CA 0.978 55.766 54.840 -0.088 0.000 0.752 507 L CB -0.412 41.604 42.059 -0.071 0.000 0.896 507 L HN 0.370 nan 8.230 nan 0.000 0.433 508 L N -0.674 120.437 121.223 -0.187 0.000 2.418 508 L HA -0.027 4.313 4.340 -0.001 0.000 0.218 508 L C 2.018 178.831 176.870 -0.095 0.000 1.125 508 L CA 0.357 55.108 54.840 -0.147 0.000 0.835 508 L CB -0.112 41.812 42.059 -0.225 0.000 0.953 508 L HN 0.251 nan 8.230 nan 0.000 0.454 509 V N -4.321 115.538 119.914 -0.092 0.000 3.643 509 V HA 0.147 4.267 4.120 -0.001 0.000 0.280 509 V C 0.917 176.965 176.094 -0.076 0.000 1.351 509 V CA -0.332 61.926 62.300 -0.070 0.000 1.073 509 V CB -0.163 31.628 31.823 -0.052 0.000 0.863 509 V HN 0.235 nan 8.190 nan 0.000 0.436 510 E N 2.330 122.484 120.200 -0.077 0.000 2.413 510 E HA 0.046 4.395 4.350 -0.001 0.000 0.263 510 E C 0.327 176.888 176.600 -0.065 0.000 1.015 510 E CA -0.265 56.086 56.400 -0.081 0.000 0.916 510 E CB 0.494 30.176 29.700 -0.030 0.000 0.947 510 E HN 0.495 nan 8.360 nan 0.000 0.440 511 K N 5.250 125.606 120.400 -0.074 0.000 2.466 511 K HA 0.027 4.347 4.320 -0.001 0.000 0.278 511 K C -2.279 174.302 176.600 -0.032 0.000 1.048 511 K CA -1.077 55.181 56.287 -0.049 0.000 1.088 511 K CB 0.287 32.765 32.500 -0.037 0.000 0.884 511 K HN 0.247 nan 8.250 nan 0.000 0.478 512 P HA 0.124 nan 4.420 nan 0.000 0.272 512 P C -0.735 176.536 177.300 -0.047 0.000 1.230 512 P CA -0.432 62.637 63.100 -0.052 0.000 0.788 512 P CB 0.591 32.243 31.700 -0.080 0.000 0.949 513 R N 2.474 122.929 120.500 -0.074 0.000 2.811 513 R HA 0.150 4.489 4.340 -0.001 0.000 0.265 513 R C -1.956 174.337 176.300 -0.012 0.000 1.026 513 R CA -1.159 54.899 56.100 -0.070 0.000 1.142 513 R CB -1.508 28.656 30.300 -0.227 0.000 1.027 513 R HN 0.388 nan 8.270 nan 0.000 0.465 514 P HA -0.064 nan 4.420 nan 0.000 0.258 514 P C -0.914 176.386 177.300 0.001 0.000 1.187 514 P CA 0.674 63.799 63.100 0.042 0.000 0.767 514 P CB 0.251 32.011 31.700 0.100 0.000 0.770 515 D N 0.202 120.580 120.400 -0.037 0.000 2.811 515 D HA -0.205 4.435 4.640 -0.001 0.000 0.231 515 D C 0.202 176.434 176.300 -0.113 0.000 1.157 515 D CA 1.402 55.358 54.000 -0.074 0.000 0.716 515 D CB -1.050 39.711 40.800 -0.066 0.000 1.077 515 D HN 0.462 nan 8.370 nan 0.000 0.428 516 A N -0.215 122.532 122.820 -0.121 0.000 2.322 516 A HA 0.701 5.021 4.320 -0.001 0.000 0.327 516 A C 1.173 178.592 177.584 -0.275 0.000 1.134 516 A CA -0.553 51.373 52.037 -0.185 0.000 0.831 516 A CB 1.294 20.224 19.000 -0.115 0.000 1.288 516 A HN 0.132 nan 8.150 nan 0.000 0.472 517 I N -0.911 119.382 120.570 -0.462 0.000 2.716 517 I HA 0.151 4.321 4.170 -0.001 0.000 0.259 517 I C -0.721 175.029 176.117 -0.611 0.000 1.172 517 I CA 0.684 61.587 61.300 -0.662 0.000 1.478 517 I CB -0.071 37.302 38.000 -1.045 0.000 1.104 517 I HN 0.472 nan 8.210 nan 0.000 0.439 518 F N -0.444 119.356 119.950 -0.250 0.000 2.593 518 F HA 0.621 5.148 4.527 -0.001 0.000 0.320 518 F C 0.749 176.443 175.800 -0.177 0.000 1.060 518 F CA -1.205 56.656 58.000 -0.233 0.000 0.940 518 F CB 0.734 39.583 39.000 -0.251 0.000 1.268 518 F HN -0.258 nan 8.300 nan 0.000 0.475 519 G N -0.295 108.555 108.800 0.083 0.000 2.535 519 G HA2 0.266 4.226 3.960 -0.001 0.000 0.303 519 G HA3 0.266 4.226 3.960 -0.001 0.000 0.303 519 G C 0.628 175.529 174.900 0.002 0.000 1.237 519 G CA -0.341 44.767 45.100 0.015 0.000 0.986 519 G HN 0.748 nan 8.290 nan 0.000 0.494 520 E N -1.014 119.188 120.200 0.004 0.000 2.070 520 E HA -0.188 4.161 4.350 -0.001 0.000 0.197 520 E C 2.284 178.878 176.600 -0.010 0.000 1.004 520 E CA 1.920 58.316 56.400 -0.006 0.000 0.805 520 E CB -0.194 29.514 29.700 0.014 0.000 0.744 520 E HN 0.459 nan 8.360 nan 0.000 0.451 521 T N 0.859 115.419 114.554 0.011 0.000 2.746 521 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 521 T C 1.715 176.368 174.700 -0.078 0.000 1.039 521 T CA 1.523 63.615 62.100 -0.015 0.000 1.142 521 T CB -0.242 68.651 68.868 0.041 0.000 0.866 521 T HN 0.180 nan 8.240 nan 0.000 0.444 522 M N 1.212 120.748 119.600 -0.106 0.000 2.117 522 M HA -0.048 4.431 4.480 -0.001 0.000 0.262 522 M C 2.058 178.229 176.300 -0.215 0.000 1.065 522 M CA 1.404 56.569 55.300 -0.224 0.000 1.114 522 M CB -0.513 31.803 32.600 -0.472 0.000 1.361 522 M HN 0.066 nan 8.290 nan 0.000 0.408 523 V N 0.034 119.869 119.914 -0.132 0.000 2.323 523 V HA -0.171 3.948 4.120 -0.001 0.000 0.244 523 V C 2.272 178.345 176.094 -0.035 0.000 1.041 523 V CA 1.674 63.947 62.300 -0.045 0.000 1.025 523 V CB -0.883 30.967 31.823 0.045 0.000 0.656 523 V HN 0.406 nan 8.190 nan 0.000 0.451 524 E N -0.183 119.984 120.200 -0.053 0.000 2.347 524 E HA -0.068 4.282 4.350 -0.001 0.000 0.196 524 E C 1.953 178.409 176.600 -0.240 0.000 1.008 524 E CA 0.731 57.097 56.400 -0.056 0.000 0.852 524 E CB 0.009 29.709 29.700 -0.000 0.000 0.783 524 E HN 0.409 nan 8.360 nan 0.000 0.505 525 L N -0.356 120.634 121.223 -0.388 0.000 2.200 525 L HA 0.121 4.461 4.340 -0.001 0.000 0.200 525 L C 2.366 179.024 176.870 -0.353 0.000 1.072 525 L CA 1.465 55.838 54.840 -0.777 0.000 0.787 525 L CB -0.979 40.743 42.059 -0.562 0.000 0.957 525 L HN 0.110 nan 8.230 nan 0.000 0.459 526 G N -0.704 108.064 108.800 -0.054 0.000 2.418 526 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 526 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 526 G C 1.692 176.674 174.900 0.137 0.000 1.158 526 G CA 0.922 46.134 45.100 0.185 0.000 0.771 526 G HN 0.451 nan 8.290 nan 0.000 0.545 527 A N 1.644 124.491 122.820 0.044 0.000 1.858 527 A HA 0.081 4.401 4.320 -0.001 0.000 0.216 527 A C 0.799 178.392 177.584 0.016 0.000 1.190 527 A CA 1.972 54.053 52.037 0.074 0.000 0.617 527 A CB -1.183 17.869 19.000 0.086 0.000 0.827 527 A HN 0.371 nan 8.150 nan 0.000 0.443 528 P HA -0.159 nan 4.420 nan 0.000 0.215 528 P C 1.219 178.422 177.300 -0.162 0.000 1.157 528 P CA 1.232 64.268 63.100 -0.108 0.000 0.874 528 P CB -0.253 31.374 31.700 -0.122 0.000 0.790 529 F N -0.567 119.245 119.950 -0.230 0.000 2.126 529 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 529 F C 2.779 178.194 175.800 -0.641 0.000 1.096 529 F CA 1.474 59.106 58.000 -0.614 0.000 1.255 529 F CB -0.953 37.249 39.000 -1.331 0.000 0.997 529 F HN -0.031 nan 8.300 nan 0.000 0.479 530 S N 0.652 116.249 115.700 -0.171 0.000 2.345 530 S HA -0.137 4.332 4.470 -0.001 0.000 0.220 530 S C 2.005 176.691 174.600 0.144 0.000 1.031 530 S CA 1.172 59.461 58.200 0.150 0.000 0.996 530 S CB -0.500 62.943 63.200 0.405 0.000 0.882 530 S HN 0.299 nan 8.310 nan 0.000 0.445 531 L N 0.931 122.228 121.223 0.122 0.000 2.093 531 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 531 L C 2.676 179.633 176.870 0.144 0.000 1.085 531 L CA 1.408 56.328 54.840 0.134 0.000 0.755 531 L CB -0.528 41.601 42.059 0.117 0.000 0.904 531 L HN 0.310 nan 8.230 nan 0.000 0.435 532 K N 1.033 121.504 120.400 0.118 0.000 2.057 532 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 532 K C 1.949 178.622 176.600 0.123 0.000 1.049 532 K CA 1.658 58.038 56.287 0.154 0.000 0.931 532 K CB -0.757 31.774 32.500 0.052 0.000 0.714 532 K HN 0.177 nan 8.250 nan 0.000 0.440 533 G N 0.419 109.240 108.800 0.034 0.000 2.432 533 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.219 533 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.219 533 G C 1.475 176.409 174.900 0.057 0.000 1.135 533 G CA 0.946 46.033 45.100 -0.022 0.000 0.767 533 G HN 0.288 nan 8.290 nan 0.000 0.550 534 L N -0.193 121.103 121.223 0.121 0.000 2.049 534 L HA 0.074 4.414 4.340 -0.001 0.000 0.203 534 L C 2.863 179.836 176.870 0.173 0.000 1.074 534 L CA 0.586 55.508 54.840 0.136 0.000 0.749 534 L CB -0.251 41.881 42.059 0.122 0.000 0.907 534 L HN 0.092 nan 8.230 nan 0.000 0.439 535 M N -0.412 119.319 119.600 0.219 0.000 2.492 535 M HA 0.044 4.523 4.480 -0.001 0.000 0.262 535 M C 2.179 178.780 176.300 0.503 0.000 1.090 535 M CA 1.007 56.463 55.300 0.261 0.000 1.110 535 M CB -1.549 31.059 32.600 0.013 0.000 1.407 535 M HN 0.250 nan 8.290 nan 0.000 0.470 536 G N 0.634 109.717 108.800 0.472 0.000 2.598 536 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.215 536 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.215 536 G C 0.859 175.964 174.900 0.342 0.000 1.131 536 G CA -0.104 45.235 45.100 0.398 0.000 0.785 536 G HN 0.435 nan 8.290 nan 0.000 0.539 537 N N 1.169 120.032 118.700 0.272 0.000 2.412 537 N HA 0.021 4.761 4.740 -0.001 0.000 0.254 537 N C -1.021 174.574 175.510 0.141 0.000 1.232 537 N CA -1.090 52.065 53.050 0.174 0.000 0.880 537 N CB 1.858 40.443 38.487 0.163 0.000 1.076 537 N HN -0.036 nan 8.380 nan 0.000 0.458 538 P HA -0.147 nan 4.420 nan 0.000 0.219 538 P C 1.505 178.585 177.300 -0.368 0.000 1.146 538 P CA 1.157 64.086 63.100 -0.284 0.000 0.808 538 P CB -0.138 31.237 31.700 -0.541 0.000 0.779 539 I N -3.072 117.450 120.570 -0.080 0.000 2.700 539 I HA -0.121 4.049 4.170 -0.001 0.000 0.261 539 I C 1.598 178.001 176.117 0.477 0.000 1.219 539 I CA 1.341 62.825 61.300 0.307 0.000 1.463 539 I CB -1.168 37.181 38.000 0.582 0.000 1.092 539 I HN -0.164 nan 8.210 nan 0.000 0.452 540 C N 1.474 120.927 119.300 0.255 0.000 2.562 540 C HA 0.169 4.629 4.460 -0.001 0.000 0.266 540 C C 1.788 176.809 174.990 0.051 0.000 1.382 540 C CA 0.254 59.371 59.018 0.166 0.000 1.742 540 C CB -1.835 26.051 27.740 0.244 0.000 1.812 540 C HN 0.715 nan 8.230 nan 0.000 0.559 541 S N 1.995 117.551 115.700 -0.239 0.000 2.592 541 S HA 0.225 4.695 4.470 -0.001 0.000 0.271 541 S C -1.449 173.089 174.600 -0.103 0.000 1.326 541 S CA -0.672 57.134 58.200 -0.656 0.000 1.024 541 S CB 0.788 63.588 63.200 -0.666 0.000 0.921 541 S HN 0.100 nan 8.310 nan 0.000 0.527 542 P HA -0.120 nan 4.420 nan 0.000 0.218 542 P C 1.303 178.540 177.300 -0.106 0.000 1.148 542 P CA 1.187 63.993 63.100 -0.490 0.000 0.822 542 P CB 0.014 31.249 31.700 -0.774 0.000 0.784 543 Q N -1.945 117.837 119.800 -0.030 0.000 2.311 543 Q HA -0.068 4.272 4.340 -0.001 0.000 0.203 543 Q C 1.922 177.915 176.000 -0.012 0.000 0.954 543 Q CA 1.150 56.944 55.803 -0.014 0.000 0.885 543 Q CB -0.398 28.328 28.738 -0.021 0.000 0.963 543 Q HN 0.483 nan 8.270 nan 0.000 0.471 544 Y N -1.952 118.353 120.300 0.009 0.000 2.479 544 Y HA 0.001 4.551 4.550 -0.000 0.000 0.283 544 Y C 1.148 177.149 175.900 0.169 0.000 1.109 544 Y CA -0.269 57.853 58.100 0.037 0.000 1.239 544 Y CB 0.359 38.882 38.460 0.105 0.000 1.108 544 Y HN 0.163 nan 8.280 nan 0.000 0.548 545 W N 5.117 126.586 121.300 0.282 0.000 1.564 545 W HA 0.206 4.865 4.660 -0.001 0.000 0.480 545 W C -0.734 175.907 176.519 0.203 0.000 0.699 545 W CA 0.141 57.731 57.345 0.409 0.000 1.985 545 W CB -0.510 29.267 29.460 0.528 0.000 1.738 545 W HN 0.080 nan 8.180 nan 0.000 0.218 546 K N 2.608 122.842 120.400 -0.277 0.000 2.575 546 K HA 0.383 4.703 4.320 -0.001 0.000 0.279 546 K C -2.658 173.467 176.600 -0.792 0.000 0.969 546 K CA -1.568 54.380 56.287 -0.565 0.000 0.868 546 K CB 1.482 33.831 32.500 -0.251 0.000 1.457 546 K HN -0.280 nan 8.250 nan 0.000 0.426 547 P HA -0.246 nan 4.420 nan 0.000 0.216 547 P C 1.246 178.430 177.300 -0.195 0.000 1.150 547 P CA 1.874 64.650 63.100 -0.540 0.000 0.837 547 P CB 0.052 31.588 31.700 -0.273 0.000 0.786 548 S N -1.866 113.718 115.700 -0.194 0.000 2.419 548 S HA -0.145 4.325 4.470 -0.001 0.000 0.233 548 S C 1.843 176.339 174.600 -0.172 0.000 1.016 548 S CA 1.801 59.936 58.200 -0.109 0.000 0.974 548 S CB -1.996 61.143 63.200 -0.102 0.000 0.786 548 S HN 0.123 nan 8.310 nan 0.000 0.492 549 T N 1.467 115.790 114.554 -0.384 0.000 2.803 549 T HA 0.031 4.380 4.350 -0.001 0.000 0.269 549 T C 0.571 174.896 174.700 -0.625 0.000 1.052 549 T CA 1.202 62.917 62.100 -0.642 0.000 1.136 549 T CB -0.473 67.763 68.868 -1.053 0.000 0.864 549 T HN 0.624 nan 8.240 nan 0.000 0.467 550 F N 0.143 120.118 119.950 0.042 0.000 2.684 550 F HA 0.480 5.006 4.527 -0.001 0.000 0.298 550 F C 1.594 177.511 175.800 0.194 0.000 1.120 550 F CA -0.484 57.597 58.000 0.136 0.000 1.332 550 F CB 0.148 39.250 39.000 0.170 0.000 0.986 550 F HN 0.185 nan 8.300 nan 0.000 0.524 551 G N 0.289 109.280 108.800 0.318 0.000 2.136 551 G HA2 0.104 4.063 3.960 -0.001 0.000 0.242 551 G HA3 0.104 4.063 3.960 -0.001 0.000 0.242 551 G C 0.588 175.673 174.900 0.310 0.000 0.989 551 G CA 0.009 45.341 45.100 0.386 0.000 0.682 551 G HN 1.220 nan 8.290 nan 0.000 0.522 552 G N -1.392 107.529 108.800 0.201 0.000 2.483 552 G HA2 0.203 4.163 3.960 -0.001 0.000 0.521 552 G HA3 0.203 4.163 3.960 -0.001 0.000 0.521 552 G C 0.396 175.378 174.900 0.137 0.000 1.278 552 G CA 0.509 45.683 45.100 0.124 0.000 0.965 552 G HN 0.521 nan 8.290 nan 0.000 0.504 553 E N -0.593 119.668 120.200 0.101 0.000 2.153 553 E HA -0.100 4.250 4.350 -0.001 0.000 0.194 553 E C 2.834 179.517 176.600 0.140 0.000 0.988 553 E CA 1.532 58.019 56.400 0.144 0.000 0.811 553 E CB -0.248 29.510 29.700 0.096 0.000 0.746 553 E HN 0.445 nan 8.360 nan 0.000 0.466 554 V N 0.777 120.743 119.914 0.088 0.000 2.343 554 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 554 V C 2.418 178.574 176.094 0.104 0.000 1.051 554 V CA 1.996 64.335 62.300 0.063 0.000 1.036 554 V CB -1.018 30.811 31.823 0.010 0.000 0.654 554 V HN 0.318 nan 8.190 nan 0.000 0.451 555 G N -1.069 107.831 108.800 0.165 0.000 2.402 555 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 555 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 555 G C 1.534 176.563 174.900 0.216 0.000 1.162 555 G CA 0.694 45.925 45.100 0.219 0.000 0.777 555 G HN 0.410 nan 8.290 nan 0.000 0.539 556 F N 1.788 121.757 119.950 0.031 0.000 2.171 556 F HA -0.004 4.523 4.527 -0.001 0.000 0.300 556 F C 2.531 178.263 175.800 -0.113 0.000 1.090 556 F CA 1.560 59.480 58.000 -0.132 0.000 1.293 556 F CB -0.218 38.729 39.000 -0.088 0.000 1.013 556 F HN 0.198 nan 8.300 nan 0.000 0.486 557 K N 0.428 120.842 120.400 0.024 0.000 2.147 557 K HA -0.165 4.155 4.320 -0.001 0.000 0.205 557 K C 2.154 178.732 176.600 -0.037 0.000 1.049 557 K CA 1.752 58.009 56.287 -0.050 0.000 0.936 557 K CB -0.346 32.156 32.500 0.004 0.000 0.722 557 K HN 0.349 nan 8.250 nan 0.000 0.446 558 I N 1.023 121.598 120.570 0.007 0.000 2.208 558 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 558 I C 2.199 178.332 176.117 0.028 0.000 1.097 558 I CA 1.237 62.554 61.300 0.028 0.000 1.363 558 I CB -0.191 37.847 38.000 0.063 0.000 1.051 558 I HN 0.204 nan 8.210 nan 0.000 0.413 559 I N 0.570 121.131 120.570 -0.016 0.000 2.163 559 I HA -0.260 3.910 4.170 -0.001 0.000 0.240 559 I C 1.931 178.084 176.117 0.060 0.000 1.081 559 I CA 1.305 62.624 61.300 0.030 0.000 1.353 559 I CB -0.448 37.523 38.000 -0.048 0.000 1.054 559 I HN 0.272 nan 8.210 nan 0.000 0.407 560 N N 0.250 118.902 118.700 -0.080 0.000 2.515 560 N HA -0.071 4.669 4.740 -0.001 0.000 0.185 560 N C 1.448 176.955 175.510 -0.005 0.000 1.109 560 N CA 1.515 54.531 53.050 -0.057 0.000 0.903 560 N CB -0.034 38.296 38.487 -0.261 0.000 0.969 560 N HN 0.474 nan 8.380 nan 0.000 0.450 561 T N -3.258 111.297 114.554 0.000 0.000 3.085 561 T HA 0.456 4.806 4.350 -0.001 0.000 0.264 561 T C 0.647 175.364 174.700 0.028 0.000 1.019 561 T CA -0.517 61.590 62.100 0.011 0.000 0.910 561 T CB 0.327 69.193 68.868 -0.003 0.000 1.059 561 T HN 0.070 nan 8.240 nan 0.000 0.542 562 A N 1.909 124.763 122.820 0.056 0.000 2.483 562 A HA 0.632 4.952 4.320 -0.001 0.000 0.238 562 A C 0.619 178.232 177.584 0.048 0.000 1.070 562 A CA -0.009 52.066 52.037 0.064 0.000 0.770 562 A CB 0.014 19.086 19.000 0.121 0.000 1.008 562 A HN 1.157 nan 8.150 nan 0.000 0.497 563 S N 0.773 116.481 115.700 0.013 0.000 2.565 563 S HA 0.415 4.885 4.470 -0.001 0.000 0.269 563 S C 0.339 174.890 174.600 -0.081 0.000 1.153 563 S CA -0.070 58.115 58.200 -0.024 0.000 0.835 563 S CB 0.468 63.641 63.200 -0.044 0.000 1.122 563 S HN 1.111 nan 8.310 nan 0.000 0.462 564 I N 1.395 121.872 120.570 -0.155 0.000 2.264 564 I HA -0.088 4.082 4.170 -0.001 0.000 0.248 564 I C 2.506 178.466 176.117 -0.262 0.000 1.111 564 I CA 2.088 63.233 61.300 -0.259 0.000 1.382 564 I CB -0.486 37.151 38.000 -0.605 0.000 1.060 564 I HN 0.929 nan 8.210 nan 0.000 0.418 565 Q N 0.432 120.076 119.800 -0.260 0.000 2.084 565 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 565 Q C 2.413 178.317 176.000 -0.159 0.000 0.978 565 Q CA 2.524 58.185 55.803 -0.238 0.000 0.844 565 Q CB -0.524 28.089 28.738 -0.208 0.000 0.898 565 Q HN 0.681 nan 8.270 nan 0.000 0.426 566 S N -0.559 115.070 115.700 -0.119 0.000 2.406 566 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 566 S C 1.879 176.411 174.600 -0.114 0.000 1.020 566 S CA 0.901 59.047 58.200 -0.090 0.000 0.965 566 S CB -0.596 62.571 63.200 -0.056 0.000 0.798 566 S HN 0.397 nan 8.310 nan 0.000 0.488 567 L N 1.052 122.189 121.223 -0.145 0.000 2.012 567 L HA 0.022 4.362 4.340 -0.001 0.000 0.210 567 L C 2.143 178.884 176.870 -0.215 0.000 1.073 567 L CA 1.646 56.357 54.840 -0.216 0.000 0.748 567 L CB -0.728 41.152 42.059 -0.298 0.000 0.891 567 L HN 0.262 nan 8.230 nan 0.000 0.431 568 I N -1.278 119.178 120.570 -0.190 0.000 2.252 568 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 568 I C 2.733 178.768 176.117 -0.138 0.000 1.102 568 I CA 1.346 62.543 61.300 -0.172 0.000 1.385 568 I CB -0.925 36.973 38.000 -0.170 0.000 1.064 568 I HN 0.482 nan 8.210 nan 0.000 0.414 569 c N 1.026 119.554 118.600 -0.119 0.000 2.413 569 c HA -0.168 4.402 4.570 -0.001 0.000 0.276 569 c C 2.725 176.765 174.090 -0.083 0.000 1.248 569 c CA 1.190 57.467 56.329 -0.086 0.000 1.742 569 c CB -1.297 41.172 42.510 -0.068 0.000 2.017 569 c HN 0.520 nan 8.230 nan 0.000 0.481 570 N N 1.063 119.708 118.700 -0.093 0.000 2.396 570 N HA -0.020 4.719 4.740 -0.001 0.000 0.180 570 N C 0.937 176.386 175.510 -0.102 0.000 1.028 570 N CA 1.011 54.010 53.050 -0.085 0.000 0.893 570 N CB -0.402 38.038 38.487 -0.079 0.000 0.967 570 N HN 0.675 nan 8.380 nan 0.000 0.440 571 N N -0.374 118.249 118.700 -0.128 0.000 2.159 571 N HA 0.108 4.848 4.740 -0.001 0.000 0.217 571 N C -0.761 174.655 175.510 -0.158 0.000 1.223 571 N CA 0.105 53.066 53.050 -0.149 0.000 0.896 571 N CB 2.068 40.447 38.487 -0.179 0.000 1.064 571 N HN -0.114 nan 8.380 nan 0.000 0.518 572 V N 1.518 121.351 119.914 -0.134 0.000 2.531 572 V HA 0.212 4.332 4.120 -0.001 0.000 0.301 572 V C 0.331 176.370 176.094 -0.091 0.000 1.034 572 V CA -1.156 61.070 62.300 -0.124 0.000 0.865 572 V CB 2.759 34.513 31.823 -0.116 0.000 0.995 572 V HN -0.021 nan 8.190 nan 0.000 0.424 573 K N 2.781 123.129 120.400 -0.086 0.000 2.511 573 K HA 0.272 4.591 4.320 -0.001 0.000 0.280 573 K C 1.226 177.802 176.600 -0.039 0.000 1.008 573 K CA 1.367 57.617 56.287 -0.061 0.000 1.050 573 K CB 0.126 32.593 32.500 -0.054 0.000 0.889 573 K HN 1.207 nan 8.250 nan 0.000 0.484 574 G N 2.889 111.670 108.800 -0.032 0.000 2.179 574 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.260 574 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.260 574 G C 0.394 175.285 174.900 -0.015 0.000 0.977 574 G CA -0.069 45.020 45.100 -0.017 0.000 0.641 574 G HN 1.209 nan 8.290 nan 0.000 0.533 575 c N 0.993 119.576 118.600 -0.028 0.000 3.349 575 c HA -0.078 4.491 4.570 -0.001 0.000 0.275 575 c C -0.298 173.789 174.090 -0.005 0.000 1.322 575 c CA -0.077 56.235 56.329 -0.029 0.000 2.261 575 c CB -1.731 40.764 42.510 -0.024 0.000 1.446 575 c HN 0.807 nan 8.230 nan 0.000 0.533 576 P HA 0.232 nan 4.420 nan 0.000 0.271 576 P C -0.051 177.274 177.300 0.042 0.000 1.218 576 P CA -0.104 63.015 63.100 0.032 0.000 0.780 576 P CB 0.400 32.111 31.700 0.017 0.000 0.901 577 F N 2.016 121.946 119.950 -0.033 0.000 2.572 577 F HA 0.292 4.819 4.527 -0.001 0.000 0.370 577 F C 0.428 176.203 175.800 -0.041 0.000 1.103 577 F CA 1.191 59.167 58.000 -0.039 0.000 1.286 577 F CB 0.498 39.480 39.000 -0.031 0.000 1.105 577 F HN 0.308 nan 8.300 nan 0.000 0.583 578 T N 3.824 117.736 114.554 -1.071 0.000 2.816 578 T HA 0.622 4.972 4.350 -0.001 0.000 0.299 578 T C -1.446 172.605 174.700 -1.081 0.000 1.230 578 T CA -0.338 61.252 62.100 -0.851 0.000 1.007 578 T CB 1.419 70.048 68.868 -0.398 0.000 1.289 578 T HN 0.880 nan 8.240 nan 0.000 0.508 579 S N 0.208 115.535 115.700 -0.622 0.000 2.595 579 S HA 0.487 4.957 4.470 -0.001 0.000 0.270 579 S C -0.843 173.571 174.600 -0.309 0.000 1.145 579 S CA -0.594 57.322 58.200 -0.474 0.000 0.825 579 S CB 0.503 63.566 63.200 -0.228 0.000 1.107 579 S HN 0.636 nan 8.310 nan 0.000 0.461 580 F N 1.505 121.370 119.950 -0.141 0.000 2.797 580 F HA 0.326 4.853 4.527 -0.001 0.000 0.302 580 F C 1.162 176.686 175.800 -0.461 0.000 1.130 580 F CA -0.163 57.720 58.000 -0.195 0.000 1.387 580 F CB 0.270 39.168 39.000 -0.170 0.000 1.107 580 F HN 0.470 nan 8.300 nan 0.000 0.577 581 N N 0.338 118.949 118.700 -0.147 0.000 2.321 581 N HA 0.374 5.114 4.740 -0.001 0.000 0.299 581 N C -0.637 174.897 175.510 0.039 0.000 1.048 581 N CA -0.738 52.257 53.050 -0.093 0.000 0.836 581 N CB 1.845 40.336 38.487 0.006 0.000 1.269 581 N HN -0.101 nan 8.380 nan 0.000 0.486 582 V N 0.660 120.606 119.914 0.054 0.000 2.843 582 V HA 0.221 4.341 4.120 -0.001 0.000 0.305 582 V C 0.218 176.360 176.094 0.080 0.000 1.065 582 V CA -0.247 62.102 62.300 0.081 0.000 1.116 582 V CB 1.026 32.889 31.823 0.068 0.000 0.968 582 V HN 0.632 nan 8.190 nan 0.000 0.487 583 Q N 0.000 119.853 119.800 0.088 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 583 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 583 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481