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 3noy_1_D DATA FIRST_RESID 2 DATA SEQUENCE IQKRKTRQIR VGNVKIGGDA PIVVQSMTST KTHDVEATLN QIKRLYEAGC DATA SEQUENCE EIVRVAVPHK EDVEALEEIV KKSPMPVIAD IHFAPSYAFL SMEKGVHGIR DATA SEQUENCE INPGNIGKEE IVREIVEEAK RRGVAVRIGV NSGSLEKDLL EKYGYPSAEA DATA SEQUENCE LAESALRWSE KFEKWGFTNY KVSIKGSDVL QNVRANLIFA ERTDVPLHIG DATA SEQUENCE ITEAGMGTKG IIKSSVGIGI LLYMGIGDTV RVSLTDDPVV EVETAYEILK DATA SEQUENCE SLGLRRRGVE IVACPTCGRI EVDLPKVVKE VQEKLSGVKT PLKVAVMGCV DATA SEQUENCE VNAIGEAREA DIGLACGRGF AWLFKHGKPI KKVDESEMVD ELLKEIQNME 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.051 176.117 -0.110 0.000 1.063 2 I CA 0.000 61.230 61.300 -0.116 0.000 1.566 2 I CB 0.000 37.953 38.000 -0.079 0.000 1.214 3 Q N 5.077 124.784 119.800 -0.154 0.000 2.553 3 Q HA 0.284 4.628 4.340 0.007 0.000 0.221 3 Q C -0.283 175.658 176.000 -0.098 0.000 1.219 3 Q CA -0.147 55.587 55.803 -0.115 0.000 0.955 3 Q CB 0.339 29.002 28.738 -0.126 0.000 1.399 3 Q HN 0.268 nan 8.270 nan 0.000 0.551 4 K N 1.878 122.235 120.400 -0.072 0.000 2.401 4 K HA 0.096 4.420 4.320 0.007 0.000 0.278 4 K C -0.073 176.497 176.600 -0.052 0.000 1.018 4 K CA -0.472 55.781 56.287 -0.058 0.000 0.981 4 K CB 0.635 33.110 32.500 -0.043 0.000 0.933 4 K HN 0.434 nan 8.250 nan 0.000 0.477 5 R N 3.818 124.289 120.500 -0.047 0.000 2.401 5 R HA -0.009 4.335 4.340 0.007 0.000 0.299 5 R C -0.326 175.949 176.300 -0.041 0.000 1.064 5 R CA 0.220 56.294 56.100 -0.043 0.000 1.000 5 R CB 0.563 30.842 30.300 -0.036 0.000 0.973 5 R HN 0.576 nan 8.270 nan 0.000 0.438 6 K N 2.410 122.784 120.400 -0.044 0.000 2.416 6 K HA 0.047 4.371 4.320 0.007 0.000 0.283 6 K C -0.894 175.676 176.600 -0.049 0.000 1.037 6 K CA 0.474 56.735 56.287 -0.044 0.000 0.995 6 K CB 0.594 33.068 32.500 -0.043 0.000 0.938 6 K HN 0.448 nan 8.250 nan 0.000 0.475 7 T N 4.115 118.642 114.554 -0.047 0.000 2.893 7 T HA 0.224 4.578 4.350 0.007 0.000 0.293 7 T C -0.822 173.844 174.700 -0.058 0.000 1.027 7 T CA -0.809 61.259 62.100 -0.054 0.000 0.988 7 T CB 1.318 70.159 68.868 -0.045 0.000 1.043 7 T HN 0.585 nan 8.240 nan 0.000 0.461 8 R N 2.666 123.121 120.500 -0.075 0.000 2.401 8 R HA 0.175 4.519 4.340 0.007 0.000 0.299 8 R C -0.163 176.089 176.300 -0.081 0.000 1.064 8 R CA -0.192 55.861 56.100 -0.079 0.000 1.000 8 R CB 0.543 30.782 30.300 -0.103 0.000 0.973 8 R HN 0.703 nan 8.270 nan 0.000 0.438 9 Q N 4.925 124.688 119.800 -0.062 0.000 2.286 9 Q HA 0.286 4.630 4.340 0.007 0.000 0.257 9 Q C -0.222 175.740 176.000 -0.062 0.000 0.941 9 Q CA -0.438 55.333 55.803 -0.052 0.000 0.912 9 Q CB 0.775 29.493 28.738 -0.034 0.000 1.192 9 Q HN 0.673 nan 8.270 nan 0.000 0.410 10 I N -0.155 120.379 120.570 -0.060 0.000 3.023 10 I HA 0.675 4.849 4.170 0.007 0.000 0.312 10 I C -0.895 175.208 176.117 -0.023 0.000 1.056 10 I CA -1.320 59.944 61.300 -0.060 0.000 1.033 10 I CB 2.181 40.129 38.000 -0.086 0.000 1.233 10 I HN 0.441 nan 8.210 nan 0.000 0.462 11 R N 1.795 122.291 120.500 -0.007 0.000 2.561 11 R HA 0.666 5.010 4.340 0.007 0.000 0.297 11 R C -1.582 174.744 176.300 0.043 0.000 0.969 11 R CA -0.852 55.259 56.100 0.019 0.000 0.879 11 R CB 2.582 32.898 30.300 0.026 0.000 1.178 11 R HN 0.563 nan 8.270 nan 0.000 0.445 12 V N 3.486 123.428 119.914 0.046 0.000 2.266 12 V HA 0.363 4.487 4.120 0.007 0.000 0.266 12 V C 0.921 177.053 176.094 0.063 0.000 1.036 12 V CA 0.084 62.426 62.300 0.070 0.000 0.828 12 V CB 0.320 32.177 31.823 0.056 0.000 1.081 12 V HN 1.159 nan 8.190 nan 0.000 0.449 13 G N 5.394 114.262 108.800 0.113 0.000 2.565 13 G HA2 -0.402 3.562 3.960 0.007 0.000 0.295 13 G HA3 -0.402 3.562 3.960 0.007 0.000 0.295 13 G C 0.785 175.713 174.900 0.045 0.000 1.165 13 G CA 1.086 46.260 45.100 0.124 0.000 0.977 13 G HN 0.915 nan 8.290 nan 0.000 0.546 14 N N -0.416 118.277 118.700 -0.011 0.000 2.333 14 N HA 0.250 4.994 4.740 0.007 0.000 0.178 14 N C 0.836 176.347 175.510 0.003 0.000 1.018 14 N CA 1.149 54.198 53.050 -0.002 0.000 0.882 14 N CB 0.135 38.612 38.487 -0.017 0.000 0.984 14 N HN 0.657 nan 8.380 nan 0.000 0.434 15 V N 1.874 121.784 119.914 -0.007 0.000 2.498 15 V HA 0.151 4.275 4.120 0.007 0.000 0.279 15 V C 0.080 176.182 176.094 0.013 0.000 1.048 15 V CA -0.867 61.438 62.300 0.009 0.000 0.967 15 V CB 1.005 32.835 31.823 0.011 0.000 0.988 15 V HN 0.347 nan 8.190 nan 0.000 0.473 16 K N 5.546 125.955 120.400 0.015 0.000 2.164 16 K HA 0.794 5.118 4.320 0.007 0.000 0.258 16 K C -1.250 175.354 176.600 0.007 0.000 0.951 16 K CA -0.666 55.627 56.287 0.010 0.000 0.844 16 K CB 2.124 34.628 32.500 0.007 0.000 1.099 16 K HN 0.473 nan 8.250 nan 0.000 0.435 17 I N 1.266 121.837 120.570 0.001 0.000 2.465 17 I HA 0.504 4.678 4.170 0.007 0.000 0.291 17 I C 0.062 176.170 176.117 -0.016 0.000 1.014 17 I CA -0.371 60.927 61.300 -0.003 0.000 1.093 17 I CB 1.860 39.863 38.000 0.005 0.000 1.267 17 I HN 1.044 nan 8.210 nan 0.000 0.431 18 G N 3.250 112.040 108.800 -0.017 0.000 2.663 18 G HA2 0.329 4.293 3.960 0.007 0.000 0.686 18 G HA3 0.329 4.293 3.960 0.007 0.000 0.686 18 G C 0.265 175.149 174.900 -0.026 0.000 1.288 18 G CA -0.264 44.821 45.100 -0.026 0.000 0.836 18 G HN 1.426 nan 8.290 nan 0.000 0.584 19 G N 0.302 109.084 108.800 -0.030 0.000 2.793 19 G HA2 -0.336 3.628 3.960 0.007 0.000 0.334 19 G HA3 -0.336 3.628 3.960 0.007 0.000 0.334 19 G C 1.258 176.145 174.900 -0.022 0.000 1.186 19 G CA 1.732 46.815 45.100 -0.029 0.000 0.960 19 G HN 1.952 nan 8.290 nan 0.000 0.562 20 D N 1.845 122.234 120.400 -0.018 0.000 2.149 20 D HA 0.347 4.991 4.640 0.007 0.000 0.201 20 D C 1.847 178.141 176.300 -0.009 0.000 0.972 20 D CA 1.572 55.564 54.000 -0.014 0.000 0.835 20 D CB -0.723 40.070 40.800 -0.012 0.000 0.966 20 D HN 0.952 nan 8.370 nan 0.000 0.476 21 A N 0.654 123.470 122.820 -0.008 0.000 2.445 21 A HA 0.413 4.737 4.320 0.007 0.000 0.242 21 A C -2.138 175.445 177.584 -0.002 0.000 1.075 21 A CA -0.860 51.176 52.037 -0.002 0.000 0.777 21 A CB -0.161 18.838 19.000 -0.001 0.000 1.013 21 A HN 0.118 nan 8.150 nan 0.000 0.493 22 P HA 0.235 nan 4.420 nan 0.000 0.272 22 P C -0.477 176.820 177.300 -0.005 0.000 1.240 22 P CA -0.232 62.871 63.100 0.005 0.000 0.791 22 P CB 0.279 31.991 31.700 0.020 0.000 0.978 23 I N 0.556 121.116 120.570 -0.016 0.000 2.598 23 I HA 0.008 4.182 4.170 0.007 0.000 0.284 23 I C 0.168 176.255 176.117 -0.051 0.000 1.140 23 I CA 0.017 61.296 61.300 -0.036 0.000 1.420 23 I CB 0.103 38.072 38.000 -0.051 0.000 1.387 23 I HN -0.027 nan 8.210 nan 0.000 0.553 24 V N 7.521 127.411 119.914 -0.041 0.000 2.509 24 V HA 0.218 4.342 4.120 0.007 0.000 0.284 24 V C 0.244 176.292 176.094 -0.076 0.000 1.047 24 V CA -0.704 61.574 62.300 -0.036 0.000 0.952 24 V CB 1.562 33.387 31.823 0.003 0.000 0.988 24 V HN 0.384 nan 8.190 nan 0.000 0.469 25 V N 5.380 125.227 119.914 -0.111 0.000 2.432 25 V HA 0.371 4.495 4.120 0.007 0.000 0.275 25 V C 0.099 176.175 176.094 -0.030 0.000 1.043 25 V CA -0.333 61.873 62.300 -0.156 0.000 0.925 25 V CB 1.040 32.642 31.823 -0.368 0.000 0.985 25 V HN 0.931 nan 8.190 nan 0.000 0.466 26 Q N 2.007 121.807 119.800 -0.001 0.000 2.359 26 Q HA 0.786 5.130 4.340 0.007 0.000 0.275 26 Q C -0.592 175.441 176.000 0.054 0.000 1.082 26 Q CA -0.480 55.356 55.803 0.055 0.000 0.849 26 Q CB 2.473 31.284 28.738 0.121 0.000 1.377 26 Q HN 0.754 nan 8.270 nan 0.000 0.452 27 S N 0.202 115.938 115.700 0.061 0.000 2.688 27 S HA 0.724 5.198 4.470 0.007 0.000 0.275 27 S C -1.900 172.728 174.600 0.046 0.000 1.175 27 S CA -0.719 57.513 58.200 0.053 0.000 0.818 27 S CB 1.582 64.812 63.200 0.050 0.000 1.157 27 S HN 0.605 nan 8.310 nan 0.000 0.482 28 M N 2.504 122.125 119.600 0.036 0.000 2.263 28 M HA 0.432 4.916 4.480 0.007 0.000 0.295 28 M C -0.580 175.731 176.300 0.017 0.000 1.028 28 M CA -0.297 55.018 55.300 0.024 0.000 0.921 28 M CB 1.968 34.579 32.600 0.018 0.000 1.601 28 M HN 0.656 nan 8.290 nan 0.000 0.440 29 T N 1.899 116.460 114.554 0.013 0.000 2.853 29 T HA 0.148 4.502 4.350 0.007 0.000 0.298 29 T C 1.130 175.826 174.700 -0.006 0.000 0.978 29 T CA 0.484 62.587 62.100 0.005 0.000 1.152 29 T CB 0.393 69.262 68.868 0.002 0.000 0.914 29 T HN 0.853 nan 8.240 nan 0.000 0.539 30 S N 2.943 118.639 115.700 -0.007 0.000 2.527 30 S HA 0.066 4.540 4.470 0.007 0.000 0.222 30 S C 1.061 175.646 174.600 -0.024 0.000 0.985 30 S CA 0.173 58.365 58.200 -0.012 0.000 0.921 30 S CB -0.629 62.567 63.200 -0.006 0.000 0.772 30 S HN 0.934 nan 8.310 nan 0.000 0.529 31 T N 0.462 114.997 114.554 -0.032 0.000 2.868 31 T HA 0.464 4.818 4.350 0.007 0.000 0.292 31 T C -0.393 174.254 174.700 -0.088 0.000 1.028 31 T CA -0.771 61.295 62.100 -0.057 0.000 1.059 31 T CB 0.370 69.203 68.868 -0.058 0.000 0.991 31 T HN 0.044 nan 8.240 nan 0.000 0.531 32 K N 1.752 122.063 120.400 -0.149 0.000 2.412 32 K HA 0.245 4.569 4.320 0.007 0.000 0.281 32 K C 1.486 177.895 176.600 -0.317 0.000 1.027 32 K CA 0.066 56.201 56.287 -0.252 0.000 0.989 32 K CB 0.219 32.464 32.500 -0.424 0.000 0.935 32 K HN 0.673 nan 8.250 nan 0.000 0.475 33 T N 1.476 115.919 114.554 -0.185 0.000 2.788 33 T HA -0.167 4.187 4.350 0.007 0.000 0.268 33 T C 1.434 176.081 174.700 -0.090 0.000 1.044 33 T CA 1.889 63.933 62.100 -0.093 0.000 1.139 33 T CB -0.480 68.385 68.868 -0.006 0.000 0.867 33 T HN 0.810 nan 8.240 nan 0.000 0.454 34 H N 0.875 119.952 119.070 0.012 0.000 2.456 34 H HA 0.071 4.631 4.556 0.007 0.000 0.296 34 H C 0.937 176.269 175.328 0.006 0.000 1.079 34 H CA 0.848 56.902 56.048 0.010 0.000 1.322 34 H CB -0.434 29.329 29.762 0.003 0.000 1.388 34 H HN 0.144 nan 8.280 nan 0.000 0.538 35 D N 1.336 121.555 120.400 -0.302 0.000 2.416 35 D HA 0.003 4.647 4.640 0.007 0.000 0.240 35 D C 1.106 177.368 176.300 -0.064 0.000 1.250 35 D CA -0.021 53.904 54.000 -0.125 0.000 0.967 35 D CB 0.794 41.477 40.800 -0.195 0.000 1.059 35 D HN 0.192 nan 8.370 nan 0.000 0.512 36 V N 3.794 123.703 119.914 -0.008 0.000 2.307 36 V HA -0.197 3.928 4.120 0.007 0.000 0.245 36 V C 2.375 178.465 176.094 -0.006 0.000 1.045 36 V CA 1.467 63.767 62.300 -0.001 0.000 1.024 36 V CB -0.416 31.417 31.823 0.016 0.000 0.651 36 V HN 0.548 nan 8.190 nan 0.000 0.449 37 E N 0.114 120.312 120.200 -0.004 0.000 2.072 37 E HA -0.165 4.189 4.350 0.007 0.000 0.191 37 E C 2.253 178.848 176.600 -0.008 0.000 0.985 37 E CA 1.203 57.602 56.400 -0.002 0.000 0.801 37 E CB -0.199 29.502 29.700 0.002 0.000 0.750 37 E HN 0.565 nan 8.360 nan 0.000 0.452 38 A N 0.052 122.862 122.820 -0.018 0.000 1.929 38 A HA -0.109 4.215 4.320 0.007 0.000 0.216 38 A C 2.298 179.869 177.584 -0.022 0.000 1.176 38 A CA 1.691 53.715 52.037 -0.021 0.000 0.628 38 A CB -0.630 18.350 19.000 -0.033 0.000 0.816 38 A HN 0.260 nan 8.150 nan 0.000 0.444 39 T N 0.511 115.046 114.554 -0.031 0.000 2.737 39 T HA -0.058 4.297 4.350 0.007 0.000 0.265 39 T C 1.791 176.487 174.700 -0.007 0.000 1.038 39 T CA 1.423 63.508 62.100 -0.025 0.000 1.144 39 T CB -0.362 68.486 68.868 -0.033 0.000 0.866 39 T HN 0.337 nan 8.240 nan 0.000 0.434 40 L N 1.185 122.406 121.223 -0.004 0.000 2.201 40 L HA -0.074 4.270 4.340 0.007 0.000 0.212 40 L C 2.547 179.421 176.870 0.008 0.000 1.105 40 L CA 0.708 55.549 54.840 0.002 0.000 0.775 40 L CB -0.537 41.522 42.059 0.000 0.000 0.913 40 L HN 0.206 nan 8.230 nan 0.000 0.440 41 N N -0.165 118.539 118.700 0.006 0.000 2.120 41 N HA -0.237 4.508 4.740 0.007 0.000 0.188 41 N C 1.833 177.354 175.510 0.018 0.000 1.024 41 N CA 1.211 54.267 53.050 0.011 0.000 0.852 41 N CB -0.126 38.364 38.487 0.006 0.000 1.003 41 N HN 0.427 nan 8.380 nan 0.000 0.424 42 Q N 0.258 120.066 119.800 0.014 0.000 2.172 42 Q HA 0.068 4.412 4.340 0.007 0.000 0.200 42 Q C 2.062 178.082 176.000 0.034 0.000 0.964 42 Q CA 0.533 56.348 55.803 0.020 0.000 0.855 42 Q CB 0.097 28.841 28.738 0.010 0.000 0.918 42 Q HN 0.334 nan 8.270 nan 0.000 0.444 43 I N 0.463 121.053 120.570 0.032 0.000 2.252 43 I HA -0.280 3.895 4.170 0.007 0.000 0.245 43 I C 2.435 178.597 176.117 0.075 0.000 1.102 43 I CA 1.142 62.469 61.300 0.046 0.000 1.385 43 I CB -0.131 37.884 38.000 0.026 0.000 1.064 43 I HN 0.129 nan 8.210 nan 0.000 0.414 44 K N 0.742 121.179 120.400 0.062 0.000 2.148 44 K HA -0.132 4.192 4.320 0.007 0.000 0.204 44 K C 2.271 178.939 176.600 0.114 0.000 1.050 44 K CA 1.098 57.440 56.287 0.093 0.000 0.942 44 K CB 0.063 32.596 32.500 0.056 0.000 0.724 44 K HN 0.181 nan 8.250 nan 0.000 0.446 45 R N 0.169 120.712 120.500 0.073 0.000 2.092 45 R HA -0.057 4.288 4.340 0.007 0.000 0.231 45 R C 2.265 178.602 176.300 0.063 0.000 1.119 45 R CA 1.058 57.192 56.100 0.056 0.000 0.970 45 R CB -0.152 30.170 30.300 0.036 0.000 0.864 45 R HN 0.186 nan 8.270 nan 0.000 0.440 46 L N -0.950 120.322 121.223 0.082 0.000 2.072 46 L HA -0.178 4.167 4.340 0.007 0.000 0.205 46 L C 2.311 179.251 176.870 0.116 0.000 1.079 46 L CA 1.092 55.985 54.840 0.089 0.000 0.752 46 L CB -0.472 41.640 42.059 0.089 0.000 0.906 46 L HN 0.168 nan 8.230 nan 0.000 0.436 47 Y N 1.129 121.443 120.300 0.022 0.000 2.181 47 Y HA -0.265 4.289 4.550 0.007 0.000 0.288 47 Y C 2.373 178.280 175.900 0.012 0.000 1.146 47 Y CA 1.747 59.859 58.100 0.020 0.000 1.164 47 Y CB -0.093 38.374 38.460 0.012 0.000 0.982 47 Y HN 0.191 nan 8.280 nan 0.000 0.515 48 E N -0.479 119.704 120.200 -0.029 0.000 2.274 48 E HA -0.065 4.289 4.350 0.007 0.000 0.194 48 E C 2.196 178.720 176.600 -0.126 0.000 0.996 48 E CA 0.584 56.913 56.400 -0.119 0.000 0.840 48 E CB -0.133 29.565 29.700 -0.004 0.000 0.772 48 E HN 0.570 nan 8.360 nan 0.000 0.491 49 A N 0.088 122.866 122.820 -0.070 0.000 1.930 49 A HA 0.138 4.462 4.320 0.007 0.000 0.215 49 A C 1.911 179.433 177.584 -0.104 0.000 1.176 49 A CA 1.450 53.451 52.037 -0.061 0.000 0.632 49 A CB 0.036 19.038 19.000 0.003 0.000 0.819 49 A HN 0.367 nan 8.150 nan 0.000 0.445 50 G N -2.763 105.993 108.800 -0.073 0.000 2.902 50 G HA2 -0.077 3.887 3.960 0.007 0.000 0.215 50 G HA3 -0.077 3.887 3.960 0.007 0.000 0.215 50 G C 0.241 175.263 174.900 0.204 0.000 0.976 50 G CA 0.011 45.093 45.100 -0.029 0.000 0.794 50 G HN 0.772 nan 8.290 nan 0.000 0.557 51 C N 1.406 120.797 119.300 0.153 0.000 2.642 51 C HA 0.518 4.982 4.460 0.007 0.000 0.420 51 C C 1.784 176.863 174.990 0.149 0.000 1.349 51 C CA 1.128 60.235 59.018 0.149 0.000 1.821 51 C CB 0.327 28.139 27.740 0.120 0.000 2.637 51 C HN 0.606 nan 8.230 nan 0.000 0.605 52 E N 2.527 122.802 120.200 0.124 0.000 2.290 52 E HA 0.310 4.664 4.350 0.007 0.000 0.199 52 E C -0.345 176.308 176.600 0.088 0.000 0.912 52 E CA 0.519 56.991 56.400 0.120 0.000 0.924 52 E CB 0.369 30.124 29.700 0.090 0.000 0.901 52 E HN 0.689 nan 8.360 nan 0.000 0.487 53 I N 1.040 121.649 120.570 0.066 0.000 2.582 53 I HA 0.300 4.474 4.170 0.007 0.000 0.292 53 I C -1.246 174.901 176.117 0.049 0.000 1.066 53 I CA -1.022 60.304 61.300 0.043 0.000 1.053 53 I CB 2.835 40.855 38.000 0.033 0.000 1.241 53 I HN -0.187 nan 8.210 nan 0.000 0.421 54 V N 6.617 126.556 119.914 0.042 0.000 2.495 54 V HA 0.527 4.651 4.120 0.007 0.000 0.298 54 V C -0.318 175.796 176.094 0.033 0.000 1.031 54 V CA -0.466 61.859 62.300 0.042 0.000 0.871 54 V CB 2.011 33.861 31.823 0.045 0.000 0.988 54 V HN 0.688 nan 8.190 nan 0.000 0.432 55 R N 3.857 124.373 120.500 0.026 0.000 2.357 55 R HA 0.688 5.032 4.340 0.007 0.000 0.296 55 R C -1.253 175.056 176.300 0.015 0.000 1.052 55 R CA -0.358 55.751 56.100 0.014 0.000 0.988 55 R CB 1.785 32.086 30.300 0.000 0.000 1.025 55 R HN 0.590 nan 8.270 nan 0.000 0.469 56 V N 2.695 122.618 119.914 0.015 0.000 2.531 56 V HA 0.389 4.513 4.120 0.007 0.000 0.301 56 V C -0.256 175.840 176.094 0.004 0.000 1.034 56 V CA -0.960 61.347 62.300 0.011 0.000 0.865 56 V CB 1.765 33.601 31.823 0.021 0.000 0.995 56 V HN 0.929 nan 8.190 nan 0.000 0.424 57 A N 4.611 127.427 122.820 -0.007 0.000 2.409 57 A HA 0.610 4.934 4.320 0.007 0.000 0.267 57 A C -0.208 177.365 177.584 -0.019 0.000 1.127 57 A CA -0.157 51.870 52.037 -0.018 0.000 0.795 57 A CB 0.444 19.425 19.000 -0.031 0.000 1.061 57 A HN 0.850 nan 8.150 nan 0.000 0.502 58 V N 6.120 126.010 119.914 -0.039 0.000 2.266 58 V HA 0.208 4.332 4.120 0.007 0.000 0.266 58 V C -1.620 174.332 176.094 -0.238 0.000 1.036 58 V CA -0.650 61.603 62.300 -0.078 0.000 0.828 58 V CB 0.690 32.496 31.823 -0.028 0.000 1.081 58 V HN 0.901 nan 8.190 nan 0.000 0.449 59 P HA 0.080 nan 4.420 nan 0.000 0.211 59 P C 0.377 177.307 177.300 -0.617 0.000 1.183 59 P CA 0.822 63.706 63.100 -0.360 0.000 0.901 59 P CB 0.401 31.987 31.700 -0.191 0.000 0.762 60 H N -1.597 117.336 119.070 -0.228 0.000 2.500 60 H HA 0.280 4.840 4.556 0.007 0.000 0.351 60 H C 1.346 176.715 175.328 0.067 0.000 1.281 60 H CA -0.295 55.698 56.048 -0.092 0.000 1.368 60 H CB 0.757 30.498 29.762 -0.034 0.000 1.616 60 H HN -0.182 nan 8.280 nan 0.000 0.591 61 K N 0.627 121.259 120.400 0.387 0.000 2.147 61 K HA -0.130 4.194 4.320 0.007 0.000 0.205 61 K C 1.258 177.986 176.600 0.212 0.000 1.049 61 K CA 1.327 57.833 56.287 0.365 0.000 0.936 61 K CB 0.123 32.760 32.500 0.229 0.000 0.722 61 K HN 0.528 nan 8.250 nan 0.000 0.446 62 E N 0.524 120.815 120.200 0.152 0.000 2.265 62 E HA -0.150 4.204 4.350 0.007 0.000 0.196 62 E C 1.239 177.911 176.600 0.120 0.000 0.996 62 E CA 1.269 57.717 56.400 0.081 0.000 0.832 62 E CB -0.001 29.683 29.700 -0.027 0.000 0.756 62 E HN 0.373 nan 8.360 nan 0.000 0.491 63 D N -0.161 120.332 120.400 0.154 0.000 2.194 63 D HA -0.081 4.564 4.640 0.007 0.000 0.204 63 D C 1.889 178.262 176.300 0.122 0.000 0.964 63 D CA 0.821 54.910 54.000 0.148 0.000 0.846 63 D CB 0.172 41.044 40.800 0.121 0.000 0.962 63 D HN 0.094 nan 8.370 nan 0.000 0.490 64 V N 1.852 121.853 119.914 0.146 0.000 2.407 64 V HA -0.224 3.900 4.120 0.007 0.000 0.248 64 V C 2.188 178.340 176.094 0.097 0.000 1.055 64 V CA 1.536 63.920 62.300 0.140 0.000 1.049 64 V CB -0.595 31.342 31.823 0.190 0.000 0.662 64 V HN 0.173 nan 8.190 nan 0.000 0.455 65 E N 0.587 120.841 120.200 0.089 0.000 2.204 65 E HA -0.115 4.240 4.350 0.007 0.000 0.194 65 E C 2.206 178.840 176.600 0.058 0.000 0.989 65 E CA 1.137 57.575 56.400 0.065 0.000 0.824 65 E CB -0.247 29.488 29.700 0.057 0.000 0.756 65 E HN 0.634 nan 8.360 nan 0.000 0.477 66 A N 0.553 123.414 122.820 0.068 0.000 2.123 66 A HA -0.031 4.293 4.320 0.007 0.000 0.214 66 A C 1.955 179.566 177.584 0.045 0.000 1.152 66 A CA 0.340 52.411 52.037 0.056 0.000 0.728 66 A CB -0.115 18.925 19.000 0.065 0.000 0.814 66 A HN 0.083 nan 8.150 nan 0.000 0.464 67 L N -0.063 121.189 121.223 0.050 0.000 2.083 67 L HA -0.174 4.170 4.340 0.007 0.000 0.209 67 L C 2.357 179.246 176.870 0.031 0.000 1.083 67 L CA 2.170 57.036 54.840 0.042 0.000 0.752 67 L CB -0.456 41.632 42.059 0.049 0.000 0.899 67 L HN 0.597 nan 8.230 nan 0.000 0.433 68 E N -0.469 119.747 120.200 0.028 0.000 2.072 68 E HA -0.227 4.128 4.350 0.007 0.000 0.191 68 E C 1.977 178.588 176.600 0.019 0.000 0.985 68 E CA 1.162 57.573 56.400 0.018 0.000 0.801 68 E CB 0.066 29.776 29.700 0.016 0.000 0.750 68 E HN 0.557 nan 8.360 nan 0.000 0.452 69 E N 0.172 120.385 120.200 0.022 0.000 2.110 69 E HA -0.180 4.174 4.350 0.007 0.000 0.193 69 E C 2.174 178.786 176.600 0.020 0.000 0.988 69 E CA 1.122 57.534 56.400 0.019 0.000 0.804 69 E CB -0.043 29.669 29.700 0.020 0.000 0.745 69 E HN 0.384 nan 8.360 nan 0.000 0.458 70 I N 0.547 121.132 120.570 0.025 0.000 2.202 70 I HA -0.221 3.953 4.170 0.007 0.000 0.242 70 I C 2.351 178.493 176.117 0.042 0.000 1.091 70 I CA 0.641 61.958 61.300 0.028 0.000 1.368 70 I CB -0.208 37.810 38.000 0.030 0.000 1.058 70 I HN -0.043 nan 8.210 nan 0.000 0.410 71 V N 1.120 121.065 119.914 0.051 0.000 2.392 71 V HA -0.302 3.822 4.120 0.007 0.000 0.249 71 V C 2.424 178.568 176.094 0.083 0.000 1.059 71 V CA 1.880 64.230 62.300 0.083 0.000 1.051 71 V CB -0.749 31.084 31.823 0.017 0.000 0.658 71 V HN 0.405 nan 8.190 nan 0.000 0.455 72 K N -0.127 120.298 120.400 0.042 0.000 2.062 72 K HA -0.088 4.236 4.320 0.007 0.000 0.205 72 K C 2.056 178.667 176.600 0.019 0.000 1.051 72 K CA 1.156 57.461 56.287 0.030 0.000 0.941 72 K CB -0.128 32.383 32.500 0.017 0.000 0.719 72 K HN 0.368 nan 8.250 nan 0.000 0.440 73 K N 0.501 120.907 120.400 0.010 0.000 2.367 73 K HA 0.087 4.411 4.320 0.007 0.000 0.194 73 K C 0.463 177.044 176.600 -0.032 0.000 1.027 73 K CA -0.118 56.163 56.287 -0.010 0.000 1.075 73 K CB 0.795 33.291 32.500 -0.007 0.000 0.845 73 K HN -0.080 nan 8.250 nan 0.000 0.529 74 S N 2.137 117.825 115.700 -0.020 0.000 2.528 74 S HA 0.126 4.600 4.470 0.007 0.000 0.277 74 S C -1.466 173.062 174.600 -0.121 0.000 1.297 74 S CA -1.523 56.645 58.200 -0.052 0.000 1.052 74 S CB 0.811 64.007 63.200 -0.008 0.000 0.917 74 S HN 0.043 nan 8.310 nan 0.000 0.492 75 P HA 0.048 nan 4.420 nan 0.000 0.225 75 P C 0.027 177.149 177.300 -0.296 0.000 1.156 75 P CA 0.730 63.577 63.100 -0.421 0.000 0.787 75 P CB 0.168 31.266 31.700 -1.004 0.000 0.802 76 M N 0.004 119.504 119.600 -0.167 0.000 2.478 76 M HA 0.421 4.906 4.480 0.007 0.000 0.327 76 M C -2.457 173.750 176.300 -0.155 0.000 1.187 76 M CA -2.627 52.626 55.300 -0.078 0.000 1.022 76 M CB 1.286 33.899 32.600 0.023 0.000 1.629 76 M HN -0.361 nan 8.290 nan 0.000 0.461 77 P HA 0.095 nan 4.420 nan 0.000 0.269 77 P C -1.118 176.141 177.300 -0.067 0.000 1.209 77 P CA -0.197 62.670 63.100 -0.387 0.000 0.776 77 P CB 0.439 31.982 31.700 -0.262 0.000 0.876 78 V N 4.869 124.860 119.914 0.128 0.000 2.417 78 V HA 0.366 4.490 4.120 0.007 0.000 0.291 78 V C 0.358 176.533 176.094 0.134 0.000 1.024 78 V CA -0.436 61.952 62.300 0.147 0.000 0.861 78 V CB 1.234 33.163 31.823 0.176 0.000 0.985 78 V HN 0.382 nan 8.190 nan 0.000 0.436 79 I N 3.823 124.437 120.570 0.074 0.000 2.377 79 I HA 0.648 4.822 4.170 0.007 0.000 0.293 79 I C 0.427 176.566 176.117 0.037 0.000 0.987 79 I CA -0.531 60.800 61.300 0.052 0.000 1.185 79 I CB 1.815 39.828 38.000 0.021 0.000 1.341 79 I HN 0.671 nan 8.210 nan 0.000 0.455 80 A N 4.582 127.422 122.820 0.033 0.000 2.252 80 A HA 0.334 4.658 4.320 0.007 0.000 0.309 80 A C -0.551 177.043 177.584 0.016 0.000 1.285 80 A CA -0.480 51.574 52.037 0.027 0.000 0.900 80 A CB 0.427 19.449 19.000 0.036 0.000 1.157 80 A HN 0.695 nan 8.150 nan 0.000 0.536 81 D N 2.318 122.724 120.400 0.011 0.000 2.351 81 D HA 0.333 4.977 4.640 0.007 0.000 0.251 81 D C -0.350 175.966 176.300 0.026 0.000 1.137 81 D CA 0.046 54.053 54.000 0.011 0.000 0.879 81 D CB 0.429 41.234 40.800 0.009 0.000 1.181 81 D HN 0.223 nan 8.370 nan 0.000 0.448 82 I N 4.633 125.223 120.570 0.033 0.000 2.359 82 I HA 0.147 4.322 4.170 0.007 0.000 0.284 82 I C 0.324 176.483 176.117 0.071 0.000 1.018 82 I CA -0.376 60.955 61.300 0.050 0.000 1.173 82 I CB 0.895 38.913 38.000 0.030 0.000 1.326 82 I HN 0.650 nan 8.210 nan 0.000 0.462 83 H N 4.679 123.748 119.070 -0.002 0.000 2.426 83 H HA 0.244 4.804 4.556 0.006 0.000 0.286 83 H C 0.765 176.088 175.328 -0.008 0.000 0.990 83 H CA 1.035 57.081 56.048 -0.003 0.000 1.237 83 H CB 0.565 30.346 29.762 0.032 0.000 1.466 83 H HN 0.428 nan 8.280 nan 0.000 0.525 84 F N 0.249 120.210 119.950 0.018 0.000 2.728 84 F HA 0.612 5.142 4.527 0.006 0.000 0.314 84 F C -0.298 175.529 175.800 0.044 0.000 1.094 84 F CA 0.459 58.457 58.000 -0.004 0.000 1.217 84 F CB 1.179 40.207 39.000 0.047 0.000 1.056 84 F HN 0.232 nan 8.300 nan 0.000 0.577 85 A N 0.403 123.386 122.820 0.271 0.000 2.530 85 A HA 0.421 4.745 4.320 0.007 0.000 0.297 85 A C -2.279 175.459 177.584 0.257 0.000 1.059 85 A CA -0.796 51.416 52.037 0.292 0.000 0.782 85 A CB 0.471 19.735 19.000 0.440 0.000 1.301 85 A HN -0.073 nan 8.150 nan 0.000 0.394 86 P HA -0.087 nan 4.420 nan 0.000 0.229 86 P C 1.322 178.739 177.300 0.196 0.000 1.160 86 P CA 1.665 64.839 63.100 0.124 0.000 0.777 86 P CB 0.130 31.884 31.700 0.091 0.000 0.814 87 S N -1.626 114.196 115.700 0.202 0.000 2.447 87 S HA -0.149 4.325 4.470 0.007 0.000 0.233 87 S C 1.867 176.550 174.600 0.138 0.000 1.006 87 S CA 0.488 58.812 58.200 0.207 0.000 0.957 87 S CB -1.519 61.670 63.200 -0.019 0.000 0.773 87 S HN 0.055 nan 8.310 nan 0.000 0.507 88 Y N 2.023 122.400 120.300 0.128 0.000 2.497 88 Y HA 0.231 4.785 4.550 0.007 0.000 0.292 88 Y C 2.701 178.632 175.900 0.050 0.000 1.137 88 Y CA 0.234 58.386 58.100 0.087 0.000 1.285 88 Y CB -0.627 37.873 38.460 0.067 0.000 0.991 88 Y HN 0.415 nan 8.280 nan 0.000 0.556 89 A N -0.467 122.428 122.820 0.126 0.000 1.930 89 A HA -0.129 4.196 4.320 0.007 0.000 0.217 89 A C 1.879 179.387 177.584 -0.127 0.000 1.175 89 A CA 1.249 53.248 52.037 -0.063 0.000 0.627 89 A CB -1.084 17.778 19.000 -0.230 0.000 0.815 89 A HN 0.415 nan 8.150 nan 0.000 0.443 90 F N -0.024 119.924 119.950 -0.004 0.000 2.146 90 F HA -0.085 4.446 4.527 0.007 0.000 0.298 90 F C 2.055 177.844 175.800 -0.018 0.000 1.096 90 F CA 1.282 59.265 58.000 -0.029 0.000 1.275 90 F CB -0.374 38.593 39.000 -0.054 0.000 1.008 90 F HN 0.080 nan 8.300 nan 0.000 0.480 91 L N -1.209 120.120 121.223 0.175 0.000 2.217 91 L HA -0.143 4.201 4.340 0.007 0.000 0.211 91 L C 2.317 179.243 176.870 0.093 0.000 1.107 91 L CA 0.709 55.611 54.840 0.104 0.000 0.783 91 L CB -0.584 41.514 42.059 0.065 0.000 0.919 91 L HN 0.049 nan 8.230 nan 0.000 0.442 92 S N -0.421 115.337 115.700 0.096 0.000 2.371 92 S HA -0.065 4.409 4.470 0.007 0.000 0.224 92 S C 1.971 176.588 174.600 0.029 0.000 1.029 92 S CA 1.154 59.394 58.200 0.067 0.000 0.978 92 S CB -0.109 63.131 63.200 0.067 0.000 0.833 92 S HN 0.323 nan 8.310 nan 0.000 0.466 93 M N 1.051 120.658 119.600 0.011 0.000 2.296 93 M HA -0.036 4.448 4.480 0.007 0.000 0.265 93 M C 2.231 178.536 176.300 0.008 0.000 1.064 93 M CA 0.981 56.276 55.300 -0.007 0.000 1.109 93 M CB -0.255 32.324 32.600 -0.035 0.000 1.396 93 M HN 0.229 nan 8.290 nan 0.000 0.430 94 E N 0.899 121.119 120.200 0.033 0.000 2.204 94 E HA -0.164 4.191 4.350 0.007 0.000 0.194 94 E C 1.177 177.785 176.600 0.015 0.000 0.989 94 E CA 1.113 57.532 56.400 0.031 0.000 0.824 94 E CB 0.190 29.918 29.700 0.046 0.000 0.756 94 E HN 0.208 nan 8.360 nan 0.000 0.477 95 K N -0.630 119.779 120.400 0.015 0.000 2.505 95 K HA 0.085 4.410 4.320 0.007 0.000 0.192 95 K C 0.574 177.159 176.600 -0.024 0.000 1.025 95 K CA 0.647 56.937 56.287 0.005 0.000 1.086 95 K CB 0.164 32.677 32.500 0.022 0.000 0.840 95 K HN 0.237 nan 8.250 nan 0.000 0.514 96 G N 0.370 109.145 108.800 -0.042 0.000 2.212 96 G HA2 -0.228 3.736 3.960 0.007 0.000 0.255 96 G HA3 -0.228 3.736 3.960 0.007 0.000 0.255 96 G C -0.005 174.787 174.900 -0.181 0.000 1.062 96 G CA 0.200 45.244 45.100 -0.094 0.000 0.815 96 G HN 0.216 nan 8.290 nan 0.000 0.497 97 V N 0.752 120.596 119.914 -0.117 0.000 2.811 97 V HA 0.284 4.408 4.120 0.007 0.000 0.302 97 V C 1.866 177.872 176.094 -0.146 0.000 1.063 97 V CA 0.011 62.243 62.300 -0.113 0.000 1.088 97 V CB 0.628 32.445 31.823 -0.009 0.000 0.982 97 V HN 0.480 nan 8.190 nan 0.000 0.485 98 H N 4.033 123.121 119.070 0.030 0.000 2.470 98 H HA 0.210 4.771 4.556 0.007 0.000 0.289 98 H C 0.770 176.124 175.328 0.044 0.000 1.033 98 H CA 0.978 57.047 56.048 0.035 0.000 1.331 98 H CB 0.499 30.280 29.762 0.031 0.000 1.414 98 H HN 0.698 nan 8.280 nan 0.000 0.545 99 G N 0.346 109.232 108.800 0.144 0.000 2.677 99 G HA2 0.510 4.474 3.960 0.007 0.000 0.291 99 G HA3 0.510 4.474 3.960 0.007 0.000 0.291 99 G C -1.185 173.753 174.900 0.063 0.000 1.435 99 G CA -0.659 44.502 45.100 0.102 0.000 0.826 99 G HN 0.183 nan 8.290 nan 0.000 0.491 100 I N -1.838 118.763 120.570 0.051 0.000 2.969 100 I HA 0.965 5.139 4.170 0.007 0.000 0.307 100 I C -0.713 175.412 176.117 0.015 0.000 1.149 100 I CA -1.662 59.651 61.300 0.022 0.000 1.008 100 I CB 2.743 40.740 38.000 -0.004 0.000 1.232 100 I HN 0.650 nan 8.210 nan 0.000 0.435 101 R N 4.508 125.002 120.500 -0.009 0.000 2.561 101 R HA 0.853 5.197 4.340 0.007 0.000 0.297 101 R C -1.475 174.802 176.300 -0.038 0.000 0.969 101 R CA -0.544 55.538 56.100 -0.030 0.000 0.879 101 R CB 1.458 31.718 30.300 -0.065 0.000 1.178 101 R HN 0.911 nan 8.270 nan 0.000 0.445 102 I N -0.570 119.966 120.570 -0.056 0.000 2.892 102 I HA 0.624 4.798 4.170 0.007 0.000 0.306 102 I C -1.180 174.856 176.117 -0.135 0.000 1.078 102 I CA -1.362 59.888 61.300 -0.083 0.000 1.032 102 I CB 2.876 40.824 38.000 -0.086 0.000 1.229 102 I HN 0.508 nan 8.210 nan 0.000 0.435 103 N N 4.721 123.332 118.700 -0.148 0.000 2.817 103 N HA 0.353 5.097 4.740 0.007 0.000 0.234 103 N C -2.032 173.334 175.510 -0.240 0.000 1.066 103 N CA -1.642 51.296 53.050 -0.186 0.000 0.926 103 N CB 0.944 39.349 38.487 -0.137 0.000 1.176 103 N HN 0.515 nan 8.380 nan 0.000 0.506 104 P HA -0.059 nan 4.420 nan 0.000 0.230 104 P C 1.248 178.381 177.300 -0.279 0.000 1.158 104 P CA 0.671 63.408 63.100 -0.605 0.000 0.769 104 P CB 0.332 31.157 31.700 -1.458 0.000 0.807 105 G N 1.694 110.449 108.800 -0.075 0.000 2.402 105 G HA2 -0.212 3.752 3.960 0.007 0.000 0.216 105 G HA3 -0.212 3.752 3.960 0.007 0.000 0.216 105 G C 0.961 175.948 174.900 0.145 0.000 1.162 105 G CA 0.549 45.803 45.100 0.257 0.000 0.777 105 G HN 0.416 nan 8.290 nan 0.000 0.539 106 N N 0.178 118.894 118.700 0.026 0.000 2.458 106 N HA 0.205 4.950 4.740 0.007 0.000 0.274 106 N C 1.043 176.533 175.510 -0.032 0.000 1.242 106 N CA -0.421 52.625 53.050 -0.006 0.000 0.904 106 N CB 0.477 38.930 38.487 -0.056 0.000 1.206 106 N HN 0.132 nan 8.380 nan 0.000 0.510 107 I N -0.471 120.098 120.570 -0.002 0.000 2.296 107 I HA 0.215 4.389 4.170 0.007 0.000 0.242 107 I C 1.586 177.719 176.117 0.026 0.000 1.087 107 I CA 1.688 62.987 61.300 -0.002 0.000 1.393 107 I CB -1.080 36.920 38.000 0.000 0.000 1.093 107 I HN 0.483 nan 8.210 nan 0.000 0.421 108 G N 0.749 109.586 108.800 0.060 0.000 1.884 108 G HA2 -0.081 3.883 3.960 0.007 0.000 0.053 108 G HA3 -0.081 3.883 3.960 0.007 0.000 0.053 108 G C -0.822 174.131 174.900 0.088 0.000 0.780 108 G CA -0.311 44.825 45.100 0.060 0.000 1.118 108 G HN 0.254 nan 8.290 nan 0.000 0.344 109 K N 1.481 121.929 120.400 0.080 0.000 2.118 109 K HA 0.688 5.013 4.320 0.007 0.000 0.267 109 K C 0.652 177.331 176.600 0.130 0.000 0.991 109 K CA 0.017 56.360 56.287 0.093 0.000 0.916 109 K CB 2.523 35.059 32.500 0.059 0.000 1.041 109 K HN 0.512 nan 8.250 nan 0.000 0.455 110 E N 1.171 121.479 120.200 0.179 0.000 2.204 110 E HA -0.233 4.122 4.350 0.007 0.000 0.195 110 E C 0.662 177.354 176.600 0.154 0.000 0.990 110 E CA 1.121 57.689 56.400 0.280 0.000 0.821 110 E CB 0.217 30.116 29.700 0.333 0.000 0.750 110 E HN 0.697 nan 8.360 nan 0.000 0.477 111 E N 0.338 120.571 120.200 0.055 0.000 2.118 111 E HA -0.180 4.174 4.350 0.007 0.000 0.195 111 E C 1.872 178.423 176.600 -0.082 0.000 0.992 111 E CA 1.109 57.480 56.400 -0.049 0.000 0.804 111 E CB -0.062 29.616 29.700 -0.036 0.000 0.741 111 E HN 0.385 nan 8.360 nan 0.000 0.458 112 I N -0.065 120.500 120.570 -0.008 0.000 2.226 112 I HA -0.253 3.922 4.170 0.007 0.000 0.245 112 I C 2.020 178.124 176.117 -0.021 0.000 1.100 112 I CA 0.679 61.996 61.300 0.028 0.000 1.374 112 I CB -0.272 37.771 38.000 0.071 0.000 1.057 112 I HN 0.021 nan 8.210 nan 0.000 0.413 113 V N 0.852 120.744 119.914 -0.036 0.000 2.287 113 V HA -0.309 3.815 4.120 0.007 0.000 0.248 113 V C 2.635 178.546 176.094 -0.305 0.000 1.053 113 V CA 1.969 64.224 62.300 -0.075 0.000 1.027 113 V CB -0.892 31.006 31.823 0.124 0.000 0.646 113 V HN 0.432 nan 8.190 nan 0.000 0.447 114 R N 0.014 120.128 120.500 -0.643 0.000 2.091 114 R HA -0.207 4.138 4.340 0.007 0.000 0.238 114 R C 2.325 178.262 176.300 -0.605 0.000 1.136 114 R CA 2.013 57.410 56.100 -1.170 0.000 0.959 114 R CB -0.211 29.134 30.300 -1.591 0.000 0.856 114 R HN 0.644 nan 8.270 nan 0.000 0.437 115 E N 0.081 120.081 120.200 -0.333 0.000 2.110 115 E HA -0.187 4.167 4.350 0.007 0.000 0.193 115 E C 2.024 178.573 176.600 -0.085 0.000 0.988 115 E CA 1.446 57.782 56.400 -0.106 0.000 0.804 115 E CB -0.097 29.656 29.700 0.088 0.000 0.745 115 E HN 0.418 nan 8.360 nan 0.000 0.458 116 I N 0.410 120.832 120.570 -0.245 0.000 2.252 116 I HA -0.234 3.940 4.170 0.007 0.000 0.245 116 I C 2.290 178.145 176.117 -0.436 0.000 1.102 116 I CA 0.654 61.652 61.300 -0.504 0.000 1.385 116 I CB -0.180 37.520 38.000 -0.499 0.000 1.064 116 I HN -0.017 nan 8.210 nan 0.000 0.414 117 V N 0.685 120.306 119.914 -0.488 0.000 2.295 117 V HA -0.262 3.863 4.120 0.007 0.000 0.246 117 V C 2.350 178.062 176.094 -0.636 0.000 1.049 117 V CA 1.913 63.792 62.300 -0.701 0.000 1.024 117 V CB -0.627 30.739 31.823 -0.761 0.000 0.648 117 V HN 0.420 nan 8.190 nan 0.000 0.447 118 E N -0.398 119.555 120.200 -0.412 0.000 2.204 118 E HA -0.238 4.116 4.350 0.007 0.000 0.194 118 E C 2.202 178.703 176.600 -0.166 0.000 0.989 118 E CA 1.058 57.307 56.400 -0.253 0.000 0.824 118 E CB -0.016 29.566 29.700 -0.197 0.000 0.756 118 E HN 0.538 nan 8.360 nan 0.000 0.477 119 E N 0.855 120.961 120.200 -0.156 0.000 2.152 119 E HA -0.076 4.278 4.350 0.007 0.000 0.192 119 E C 1.729 178.272 176.600 -0.096 0.000 0.983 119 E CA 1.105 57.459 56.400 -0.076 0.000 0.818 119 E CB -0.068 29.629 29.700 -0.005 0.000 0.758 119 E HN 0.212 nan 8.360 nan 0.000 0.467 120 A N 0.663 123.372 122.820 -0.185 0.000 1.968 120 A HA -0.108 4.216 4.320 0.007 0.000 0.217 120 A C 2.129 179.726 177.584 0.023 0.000 1.169 120 A CA 1.464 53.434 52.037 -0.112 0.000 0.638 120 A CB -0.425 18.464 19.000 -0.185 0.000 0.812 120 A HN 0.190 nan 8.150 nan 0.000 0.446 121 K N -0.481 119.903 120.400 -0.027 0.000 2.148 121 K HA -0.087 4.237 4.320 0.007 0.000 0.204 121 K C 2.282 178.960 176.600 0.129 0.000 1.050 121 K CA 1.014 57.429 56.287 0.213 0.000 0.942 121 K CB -0.143 32.481 32.500 0.207 0.000 0.724 121 K HN 0.417 nan 8.250 nan 0.000 0.446 122 R N 0.281 120.812 120.500 0.051 0.000 2.073 122 R HA -0.090 4.254 4.340 0.007 0.000 0.229 122 R C 2.169 178.496 176.300 0.046 0.000 1.120 122 R CA 1.302 57.427 56.100 0.042 0.000 0.967 122 R CB 0.034 30.343 30.300 0.016 0.000 0.862 122 R HN -0.016 nan 8.270 nan 0.000 0.436 123 R N -0.790 119.735 120.500 0.042 0.000 2.161 123 R HA 0.041 4.386 4.340 0.007 0.000 0.213 123 R C 0.448 176.780 176.300 0.054 0.000 1.055 123 R CA 1.112 57.234 56.100 0.035 0.000 0.996 123 R CB 0.272 30.583 30.300 0.018 0.000 0.901 123 R HN 0.427 nan 8.270 nan 0.000 0.456 124 G N -0.005 108.849 108.800 0.090 0.000 2.255 124 G HA2 -0.194 3.770 3.960 0.007 0.000 0.239 124 G HA3 -0.194 3.770 3.960 0.007 0.000 0.239 124 G C -0.630 174.341 174.900 0.119 0.000 1.083 124 G CA 0.189 45.355 45.100 0.110 0.000 0.826 124 G HN 0.346 nan 8.290 nan 0.000 0.493 125 V N -0.142 119.856 119.914 0.140 0.000 2.448 125 V HA 0.889 5.013 4.120 0.007 0.000 0.295 125 V C 0.503 176.728 176.094 0.218 0.000 1.025 125 V CA 0.076 62.457 62.300 0.136 0.000 0.859 125 V CB 1.475 33.340 31.823 0.071 0.000 0.988 125 V HN 1.718 nan 8.190 nan 0.000 0.431 126 A N 6.058 128.998 122.820 0.199 0.000 2.388 126 A HA 0.704 5.028 4.320 0.007 0.000 0.257 126 A C -0.377 177.352 177.584 0.242 0.000 1.095 126 A CA -0.284 51.897 52.037 0.240 0.000 0.791 126 A CB 0.841 19.929 19.000 0.147 0.000 1.029 126 A HN 1.166 nan 8.150 nan 0.000 0.489 127 V N 3.218 123.350 119.914 0.364 0.000 2.459 127 V HA 0.455 4.579 4.120 0.007 0.000 0.295 127 V C 0.412 176.654 176.094 0.247 0.000 1.029 127 V CA -0.707 61.773 62.300 0.300 0.000 0.874 127 V CB 1.505 33.569 31.823 0.402 0.000 0.985 127 V HN 0.939 nan 8.190 nan 0.000 0.438 128 R N 4.526 125.089 120.500 0.105 0.000 2.255 128 R HA 0.528 4.872 4.340 0.007 0.000 0.326 128 R C -0.842 175.436 176.300 -0.037 0.000 0.986 128 R CA -0.611 55.505 56.100 0.027 0.000 0.847 128 R CB 0.828 31.093 30.300 -0.058 0.000 1.111 128 R HN 0.709 nan 8.270 nan 0.000 0.452 129 I N 3.984 124.498 120.570 -0.093 0.000 2.347 129 I HA 0.129 4.304 4.170 0.007 0.000 0.294 129 I C 0.927 176.938 176.117 -0.177 0.000 1.090 129 I CA 0.018 61.184 61.300 -0.223 0.000 1.314 129 I CB 1.203 38.977 38.000 -0.377 0.000 1.423 129 I HN 0.670 nan 8.210 nan 0.000 0.503 130 G N 6.972 115.674 108.800 -0.164 0.000 2.475 130 G HA2 0.480 4.444 3.960 0.007 0.000 0.322 130 G HA3 0.480 4.444 3.960 0.007 0.000 0.322 130 G C -0.163 174.663 174.900 -0.124 0.000 1.044 130 G CA -0.369 44.657 45.100 -0.123 0.000 1.047 130 G HN 0.499 nan 8.290 nan 0.000 0.436 131 V N 0.878 120.724 119.914 -0.113 0.000 2.465 131 V HA 0.654 4.778 4.120 0.007 0.000 0.279 131 V C -0.340 175.723 176.094 -0.052 0.000 1.045 131 V CA -1.255 61.001 62.300 -0.073 0.000 0.938 131 V CB 1.435 33.222 31.823 -0.059 0.000 0.986 131 V HN 0.452 nan 8.190 nan 0.000 0.467 132 N N 1.873 120.554 118.700 -0.031 0.000 2.629 132 N HA 0.477 5.221 4.740 0.007 0.000 0.279 132 N C 1.050 176.554 175.510 -0.010 0.000 1.344 132 N CA 0.000 53.037 53.050 -0.021 0.000 0.789 132 N CB 2.452 40.926 38.487 -0.022 0.000 1.508 132 N HN 0.804 nan 8.380 nan 0.000 0.516 133 S N -1.192 114.506 115.700 -0.003 0.000 2.368 133 S HA -0.016 4.459 4.470 0.007 0.000 0.224 133 S C 1.699 176.305 174.600 0.010 0.000 1.029 133 S CA 1.206 59.411 58.200 0.007 0.000 0.988 133 S CB -0.737 62.474 63.200 0.018 0.000 0.838 133 S HN 0.627 nan 8.310 nan 0.000 0.462 134 G N 1.122 109.923 108.800 0.001 0.000 2.744 134 G HA2 0.073 4.038 3.960 0.007 0.000 0.211 134 G HA3 0.073 4.038 3.960 0.007 0.000 0.211 134 G C 1.264 176.154 174.900 -0.017 0.000 1.143 134 G CA 0.634 45.729 45.100 -0.008 0.000 0.788 134 G HN 0.773 nan 8.290 nan 0.000 0.534 135 S N -0.661 115.034 115.700 -0.010 0.000 2.593 135 S HA 0.359 4.834 4.470 0.007 0.000 0.236 135 S C 0.578 175.207 174.600 0.049 0.000 0.991 135 S CA -0.561 57.640 58.200 0.002 0.000 0.963 135 S CB 0.096 63.283 63.200 -0.023 0.000 0.865 135 S HN 0.106 nan 8.310 nan 0.000 0.488 136 L N 2.698 123.944 121.223 0.039 0.000 2.410 136 L HA 0.317 4.662 4.340 0.007 0.000 0.273 136 L C -0.067 176.841 176.870 0.064 0.000 1.144 136 L CA -0.151 54.719 54.840 0.051 0.000 0.863 136 L CB 0.705 42.779 42.059 0.025 0.000 1.140 136 L HN 0.288 nan 8.230 nan 0.000 0.463 137 E N 3.235 123.484 120.200 0.082 0.000 2.404 137 E HA -0.051 4.304 4.350 0.007 0.000 0.261 137 E C 0.722 177.354 176.600 0.054 0.000 1.074 137 E CA 0.136 56.581 56.400 0.075 0.000 0.917 137 E CB 0.663 30.403 29.700 0.066 0.000 0.965 137 E HN 0.369 nan 8.360 nan 0.000 0.433 138 K N 2.141 122.569 120.400 0.046 0.000 2.063 138 K HA -0.286 4.038 4.320 0.007 0.000 0.208 138 K C 1.524 178.143 176.600 0.033 0.000 1.048 138 K CA 1.688 57.998 56.287 0.037 0.000 0.928 138 K CB 0.001 32.520 32.500 0.031 0.000 0.713 138 K HN 0.649 nan 8.250 nan 0.000 0.442 139 D N 0.805 121.220 120.400 0.025 0.000 2.269 139 D HA -0.244 4.400 4.640 0.007 0.000 0.191 139 D C 1.838 178.157 176.300 0.032 0.000 1.007 139 D CA 1.987 55.995 54.000 0.014 0.000 0.855 139 D CB -0.150 40.647 40.800 -0.006 0.000 0.979 139 D HN 0.273 nan 8.370 nan 0.000 0.452 140 L N 0.000 121.261 121.223 0.063 0.000 2.313 140 L HA -0.097 4.248 4.340 0.007 0.000 0.214 140 L C 2.551 179.530 176.870 0.181 0.000 1.119 140 L CA -0.113 54.817 54.840 0.150 0.000 0.809 140 L CB -0.169 41.984 42.059 0.156 0.000 0.933 140 L HN 0.134 nan 8.230 nan 0.000 0.449 141 L N 0.161 121.444 121.223 0.100 0.000 2.141 141 L HA -0.148 4.196 4.340 0.007 0.000 0.209 141 L C 2.300 179.212 176.870 0.070 0.000 1.094 141 L CA 1.741 56.632 54.840 0.085 0.000 0.763 141 L CB -0.460 41.636 42.059 0.061 0.000 0.908 141 L HN 0.241 nan 8.230 nan 0.000 0.437 142 E N -1.246 118.981 120.200 0.044 0.000 2.230 142 E HA -0.174 4.180 4.350 0.007 0.000 0.192 142 E C 1.939 178.526 176.600 -0.022 0.000 0.987 142 E CA 0.382 56.791 56.400 0.016 0.000 0.841 142 E CB 0.110 29.814 29.700 0.006 0.000 0.783 142 E HN 0.392 nan 8.360 nan 0.000 0.481 143 K N 0.222 120.595 120.400 -0.045 0.000 2.062 143 K HA -0.119 4.205 4.320 0.007 0.000 0.205 143 K C 1.176 177.587 176.600 -0.317 0.000 1.051 143 K CA 1.195 57.365 56.287 -0.196 0.000 0.941 143 K CB 0.108 32.452 32.500 -0.261 0.000 0.719 143 K HN 0.125 nan 8.250 nan 0.000 0.440 144 Y N -1.110 119.133 120.300 -0.094 0.000 2.481 144 Y HA 0.188 4.742 4.550 0.006 0.000 0.258 144 Y C 1.644 177.417 175.900 -0.212 0.000 1.103 144 Y CA 0.422 58.416 58.100 -0.176 0.000 1.287 144 Y CB 1.164 39.489 38.460 -0.226 0.000 1.108 144 Y HN 0.388 nan 8.280 nan 0.000 0.529 145 G N 0.415 109.237 108.800 0.036 0.000 3.329 145 G HA2 -0.357 3.607 3.960 0.007 0.000 0.220 145 G HA3 -0.357 3.607 3.960 0.007 0.000 0.220 145 G C -0.011 174.983 174.900 0.157 0.000 1.358 145 G CA 0.486 45.638 45.100 0.086 0.000 0.856 145 G HN 0.446 nan 8.290 nan 0.000 0.551 146 Y N -0.017 120.337 120.300 0.090 0.000 2.602 146 Y HA 0.780 5.335 4.550 0.007 0.000 0.342 146 Y C -2.558 173.369 175.900 0.044 0.000 1.029 146 Y CA -2.607 55.527 58.100 0.057 0.000 1.080 146 Y CB 1.256 39.740 38.460 0.040 0.000 1.284 146 Y HN 0.081 nan 8.280 nan 0.000 0.485 147 P HA 0.047 nan 4.420 nan 0.000 0.241 147 P C -0.265 177.046 177.300 0.019 0.000 1.760 147 P CA 0.153 63.273 63.100 0.032 0.000 1.081 147 P CB -0.208 31.527 31.700 0.057 0.000 1.975 148 S N 1.286 116.886 115.700 -0.166 0.000 2.617 148 S HA 0.405 4.879 4.470 0.007 0.000 0.259 148 S C 1.698 176.208 174.600 -0.149 0.000 1.301 148 S CA -0.079 58.042 58.200 -0.132 0.000 0.984 148 S CB 0.763 63.772 63.200 -0.318 0.000 0.954 148 S HN 0.248 nan 8.310 nan 0.000 0.572 149 A N 1.240 124.014 122.820 -0.077 0.000 1.883 149 A HA -0.131 4.193 4.320 0.007 0.000 0.217 149 A C 2.263 179.767 177.584 -0.134 0.000 1.186 149 A CA 1.578 53.572 52.037 -0.071 0.000 0.624 149 A CB -1.051 17.938 19.000 -0.018 0.000 0.822 149 A HN 0.948 nan 8.150 nan 0.000 0.444 150 E N 0.446 120.533 120.200 -0.188 0.000 2.150 150 E HA -0.083 4.271 4.350 0.007 0.000 0.193 150 E C 2.063 178.351 176.600 -0.520 0.000 0.985 150 E CA 1.170 57.429 56.400 -0.236 0.000 0.814 150 E CB -0.779 28.858 29.700 -0.105 0.000 0.752 150 E HN 0.537 nan 8.360 nan 0.000 0.466 151 A N 1.535 123.833 122.820 -0.870 0.000 1.873 151 A HA -0.093 4.231 4.320 0.007 0.000 0.215 151 A C 2.286 179.648 177.584 -0.370 0.000 1.186 151 A CA 1.122 52.574 52.037 -0.975 0.000 0.616 151 A CB -0.498 17.999 19.000 -0.837 0.000 0.823 151 A HN 0.163 nan 8.150 nan 0.000 0.442 152 L N -0.395 120.684 121.223 -0.240 0.000 2.093 152 L HA -0.052 4.292 4.340 0.007 0.000 0.208 152 L C 2.953 179.768 176.870 -0.092 0.000 1.085 152 L CA 1.726 56.493 54.840 -0.121 0.000 0.755 152 L CB -0.949 41.056 42.059 -0.090 0.000 0.904 152 L HN 0.393 nan 8.230 nan 0.000 0.435 153 A N -0.978 121.790 122.820 -0.086 0.000 1.877 153 A HA -0.253 4.071 4.320 0.007 0.000 0.216 153 A C 2.359 179.978 177.584 0.058 0.000 1.186 153 A CA 1.815 53.855 52.037 0.004 0.000 0.620 153 A CB -0.573 18.447 19.000 0.032 0.000 0.822 153 A HN 0.464 nan 8.150 nan 0.000 0.443 154 E N -0.538 119.660 120.200 -0.002 0.000 2.150 154 E HA -0.143 4.211 4.350 0.007 0.000 0.193 154 E C 2.191 178.808 176.600 0.029 0.000 0.985 154 E CA 1.034 57.456 56.400 0.038 0.000 0.814 154 E CB -0.095 29.636 29.700 0.052 0.000 0.752 154 E HN 0.564 nan 8.360 nan 0.000 0.466 155 S N -0.265 115.438 115.700 0.005 0.000 2.368 155 S HA -0.146 4.328 4.470 0.007 0.000 0.225 155 S C 1.994 176.667 174.600 0.121 0.000 1.030 155 S CA 1.232 59.455 58.200 0.038 0.000 0.999 155 S CB -0.176 63.062 63.200 0.064 0.000 0.844 155 S HN 0.415 nan 8.310 nan 0.000 0.459 156 A N 0.788 123.644 122.820 0.060 0.000 1.930 156 A HA 0.048 4.372 4.320 0.007 0.000 0.217 156 A C 2.125 179.845 177.584 0.225 0.000 1.175 156 A CA 1.373 53.399 52.037 -0.018 0.000 0.627 156 A CB -0.739 17.986 19.000 -0.458 0.000 0.815 156 A HN 0.530 nan 8.150 nan 0.000 0.443 157 L N -0.843 120.573 121.223 0.321 0.000 2.093 157 L HA -0.044 4.300 4.340 0.007 0.000 0.208 157 L C 2.542 179.499 176.870 0.146 0.000 1.085 157 L CA 1.761 56.808 54.840 0.345 0.000 0.755 157 L CB -0.299 41.887 42.059 0.212 0.000 0.904 157 L HN 0.374 nan 8.230 nan 0.000 0.435 158 R N -1.988 118.530 120.500 0.029 0.000 2.115 158 R HA -0.167 4.177 4.340 0.007 0.000 0.226 158 R C 2.072 178.258 176.300 -0.190 0.000 1.100 158 R CA 1.603 57.623 56.100 -0.133 0.000 0.980 158 R CB -0.297 29.849 30.300 -0.256 0.000 0.875 158 R HN 0.419 nan 8.270 nan 0.000 0.445 159 W N -0.782 120.497 121.300 -0.035 0.000 2.476 159 W HA -0.033 4.630 4.660 0.006 0.000 0.281 159 W C 2.648 179.062 176.519 -0.175 0.000 1.230 159 W CA 0.731 58.017 57.345 -0.100 0.000 1.287 159 W CB -0.203 29.168 29.460 -0.149 0.000 1.108 159 W HN 0.085 nan 8.180 nan 0.000 0.567 160 S N 1.082 116.879 115.700 0.162 0.000 2.353 160 S HA -0.262 4.213 4.470 0.007 0.000 0.222 160 S C 1.807 176.481 174.600 0.123 0.000 1.035 160 S CA 2.035 60.344 58.200 0.181 0.000 1.025 160 S CB -0.474 62.990 63.200 0.439 0.000 0.902 160 S HN 0.508 nan 8.310 nan 0.000 0.440 161 E N 0.260 120.503 120.200 0.071 0.000 2.208 161 E HA -0.101 4.253 4.350 0.007 0.000 0.193 161 E C 2.010 178.551 176.600 -0.098 0.000 0.988 161 E CA 0.804 57.210 56.400 0.010 0.000 0.828 161 E CB -0.229 29.462 29.700 -0.016 0.000 0.763 161 E HN 0.454 nan 8.360 nan 0.000 0.478 162 K N -0.054 120.233 120.400 -0.188 0.000 2.097 162 K HA -0.052 4.272 4.320 0.007 0.000 0.205 162 K C 1.753 177.876 176.600 -0.795 0.000 1.050 162 K CA 1.129 57.090 56.287 -0.544 0.000 0.938 162 K CB -0.161 32.001 32.500 -0.562 0.000 0.718 162 K HN 0.069 nan 8.250 nan 0.000 0.442 163 F N 1.998 121.605 119.950 -0.572 0.000 2.171 163 F HA -0.132 4.400 4.527 0.007 0.000 0.300 163 F C 2.068 177.826 175.800 -0.070 0.000 1.090 163 F CA 1.292 59.098 58.000 -0.323 0.000 1.293 163 F CB -0.172 38.487 39.000 -0.568 0.000 1.013 163 F HN 0.077 nan 8.300 nan 0.000 0.486 164 E N -0.559 119.714 120.200 0.120 0.000 2.216 164 E HA -0.178 4.176 4.350 0.007 0.000 0.192 164 E C 1.976 178.630 176.600 0.091 0.000 0.988 164 E CA 0.578 57.079 56.400 0.168 0.000 0.834 164 E CB -0.065 29.740 29.700 0.175 0.000 0.772 164 E HN 0.157 nan 8.360 nan 0.000 0.479 165 K N 0.197 120.576 120.400 -0.035 0.000 2.148 165 K HA -0.115 4.210 4.320 0.007 0.000 0.204 165 K C 1.224 177.896 176.600 0.121 0.000 1.050 165 K CA 0.879 57.149 56.287 -0.028 0.000 0.942 165 K CB 0.036 32.442 32.500 -0.155 0.000 0.724 165 K HN 0.139 nan 8.250 nan 0.000 0.446 166 W N 0.575 121.912 121.300 0.060 0.000 3.180 166 W HA 0.369 5.033 4.660 0.006 0.000 0.254 166 W C 0.436 176.989 176.519 0.056 0.000 1.318 166 W CA 0.583 57.938 57.345 0.017 0.000 1.608 166 W CB -1.021 28.394 29.460 -0.076 0.000 1.124 166 W HN 0.277 nan 8.180 nan 0.000 0.694 167 G N 1.610 110.583 108.800 0.288 0.000 2.473 167 G HA2 -0.244 3.721 3.960 0.007 0.000 0.289 167 G HA3 -0.244 3.721 3.960 0.007 0.000 0.289 167 G C -1.081 174.038 174.900 0.365 0.000 1.084 167 G CA -0.482 44.771 45.100 0.256 0.000 1.215 167 G HN 0.109 nan 8.290 nan 0.000 0.527 168 F N 0.879 120.943 119.950 0.191 0.000 2.573 168 F HA 0.642 5.173 4.527 0.007 0.000 0.316 168 F C 0.915 176.944 175.800 0.381 0.000 1.148 168 F CA -0.213 57.928 58.000 0.235 0.000 0.940 168 F CB 1.714 40.831 39.000 0.195 0.000 1.214 168 F HN 0.041 nan 8.300 nan 0.000 0.448 169 T N 1.942 116.380 114.554 -0.194 0.000 3.018 169 T HA 0.059 4.413 4.350 0.007 0.000 0.246 169 T C 0.986 175.472 174.700 -0.357 0.000 1.026 169 T CA 0.103 62.124 62.100 -0.130 0.000 1.081 169 T CB -0.105 68.711 68.868 -0.087 0.000 0.970 169 T HN 0.565 nan 8.240 nan 0.000 0.475 170 N N 1.757 119.990 118.700 -0.777 0.000 3.193 170 N HA 0.099 4.843 4.740 0.007 0.000 0.312 170 N C -1.327 174.016 175.510 -0.278 0.000 1.261 170 N CA -0.103 52.642 53.050 -0.508 0.000 1.208 170 N CB -0.137 38.156 38.487 -0.323 0.000 1.471 170 N HN 0.551 nan 8.380 nan 0.000 0.548 171 Y N -1.026 119.140 120.300 -0.222 0.000 2.492 171 Y HA 0.486 5.040 4.550 0.007 0.000 0.346 171 Y C -1.336 174.570 175.900 0.010 0.000 0.997 171 Y CA -1.367 56.753 58.100 0.033 0.000 1.025 171 Y CB 0.841 39.451 38.460 0.250 0.000 1.263 171 Y HN -0.033 nan 8.280 nan 0.000 0.454 172 K N 2.784 123.225 120.400 0.069 0.000 2.328 172 K HA 0.828 5.153 4.320 0.007 0.000 0.246 172 K C -1.236 175.399 176.600 0.059 0.000 0.955 172 K CA -1.001 55.287 56.287 0.002 0.000 0.817 172 K CB 2.784 35.289 32.500 0.009 0.000 1.208 172 K HN 0.843 nan 8.250 nan 0.000 0.432 173 V N -1.498 118.429 119.914 0.021 0.000 2.919 173 V HA 0.795 4.919 4.120 0.007 0.000 0.316 173 V C -0.859 175.189 176.094 -0.077 0.000 1.077 173 V CA -0.433 61.821 62.300 -0.077 0.000 0.977 173 V CB 1.646 33.328 31.823 -0.234 0.000 1.039 173 V HN 1.020 nan 8.190 nan 0.000 0.441 174 S N 3.382 119.022 115.700 -0.100 0.000 2.614 174 S HA 0.740 5.215 4.470 0.007 0.000 0.288 174 S C -0.954 173.591 174.600 -0.092 0.000 1.137 174 S CA -0.668 57.515 58.200 -0.028 0.000 0.992 174 S CB 1.020 64.292 63.200 0.120 0.000 1.026 174 S HN 0.890 nan 8.310 nan 0.000 0.486 175 I N 3.310 123.819 120.570 -0.102 0.000 2.355 175 I HA 0.421 4.595 4.170 0.007 0.000 0.288 175 I C -0.312 175.778 176.117 -0.045 0.000 0.999 175 I CA -0.750 60.491 61.300 -0.099 0.000 1.163 175 I CB 1.421 39.339 38.000 -0.135 0.000 1.316 175 I HN 0.400 nan 8.210 nan 0.000 0.454 176 K N 5.905 126.288 120.400 -0.029 0.000 2.354 176 K HA 0.410 4.734 4.320 0.007 0.000 0.257 176 K C 0.185 176.779 176.600 -0.010 0.000 1.062 176 K CA -0.264 56.017 56.287 -0.011 0.000 0.971 176 K CB 1.525 34.028 32.500 0.006 0.000 1.305 176 K HN 0.781 nan 8.250 nan 0.000 0.449 177 G N 0.877 109.671 108.800 -0.010 0.000 2.599 177 G HA2 0.148 4.112 3.960 0.007 0.000 0.264 177 G HA3 0.148 4.112 3.960 0.007 0.000 0.264 177 G C 0.816 175.718 174.900 0.004 0.000 1.200 177 G CA -0.452 44.647 45.100 -0.003 0.000 0.896 177 G HN 0.415 nan 8.290 nan 0.000 0.536 178 S N 0.379 116.086 115.700 0.011 0.000 2.380 178 S HA -0.069 4.405 4.470 0.007 0.000 0.213 178 S C 0.878 175.483 174.600 0.007 0.000 1.037 178 S CA 1.531 59.738 58.200 0.012 0.000 1.034 178 S CB -0.448 62.762 63.200 0.017 0.000 1.022 178 S HN 0.879 nan 8.310 nan 0.000 0.418 179 D N 0.361 120.765 120.400 0.008 0.000 2.432 179 D HA 0.388 5.032 4.640 0.007 0.000 0.258 179 D C 1.198 177.500 176.300 0.004 0.000 1.146 179 D CA -0.708 53.294 54.000 0.004 0.000 1.015 179 D CB 0.202 41.005 40.800 0.004 0.000 1.107 179 D HN -0.040 nan 8.370 nan 0.000 0.529 180 V N -0.143 119.772 119.914 0.001 0.000 2.252 180 V HA -0.275 3.849 4.120 0.007 0.000 0.249 180 V C 2.369 178.466 176.094 0.004 0.000 1.056 180 V CA 1.688 63.988 62.300 0.000 0.000 1.022 180 V CB -0.831 30.990 31.823 -0.002 0.000 0.641 180 V HN 0.516 nan 8.190 nan 0.000 0.445 181 L N -0.708 120.520 121.223 0.007 0.000 2.046 181 L HA -0.232 4.112 4.340 0.007 0.000 0.208 181 L C 2.682 179.561 176.870 0.015 0.000 1.077 181 L CA 1.833 56.680 54.840 0.012 0.000 0.747 181 L CB -0.598 41.469 42.059 0.013 0.000 0.896 181 L HN 0.409 nan 8.230 nan 0.000 0.432 182 Q N 0.043 119.852 119.800 0.016 0.000 2.079 182 Q HA -0.230 4.115 4.340 0.007 0.000 0.200 182 Q C 2.097 178.102 176.000 0.009 0.000 0.974 182 Q CA 1.384 57.198 55.803 0.018 0.000 0.840 182 Q CB -0.055 28.698 28.738 0.025 0.000 0.898 182 Q HN 0.474 nan 8.270 nan 0.000 0.430 183 N N -0.121 118.582 118.700 0.005 0.000 2.069 183 N HA -0.155 4.589 4.740 0.007 0.000 0.191 183 N C 1.836 177.348 175.510 0.002 0.000 1.031 183 N CA 1.498 54.547 53.050 -0.002 0.000 0.852 183 N CB -0.077 38.407 38.487 -0.005 0.000 1.018 183 N HN 0.083 nan 8.380 nan 0.000 0.423 184 V N 1.492 121.411 119.914 0.008 0.000 2.261 184 V HA -0.193 3.931 4.120 0.007 0.000 0.246 184 V C 2.730 178.837 176.094 0.023 0.000 1.047 184 V CA 1.831 64.140 62.300 0.016 0.000 1.015 184 V CB -0.575 31.260 31.823 0.020 0.000 0.642 184 V HN 0.352 nan 8.190 nan 0.000 0.446 185 R N -0.159 120.354 120.500 0.021 0.000 2.081 185 R HA -0.142 4.202 4.340 0.007 0.000 0.235 185 R C 2.321 178.636 176.300 0.025 0.000 1.131 185 R CA 1.570 57.684 56.100 0.024 0.000 0.960 185 R CB -0.476 29.837 30.300 0.022 0.000 0.856 185 R HN 0.504 nan 8.270 nan 0.000 0.436 186 A N 1.244 124.072 122.820 0.013 0.000 1.883 186 A HA -0.191 4.133 4.320 0.007 0.000 0.217 186 A C 1.828 179.437 177.584 0.041 0.000 1.186 186 A CA 1.691 53.733 52.037 0.008 0.000 0.624 186 A CB -0.677 18.311 19.000 -0.021 0.000 0.822 186 A HN 0.421 nan 8.150 nan 0.000 0.444 187 N N -0.461 118.261 118.700 0.036 0.000 2.244 187 N HA -0.121 4.623 4.740 0.007 0.000 0.183 187 N C 1.601 177.176 175.510 0.108 0.000 1.016 187 N CA 1.409 54.500 53.050 0.068 0.000 0.866 187 N CB -0.301 38.206 38.487 0.033 0.000 0.980 187 N HN 0.398 nan 8.380 nan 0.000 0.430 188 L N 1.477 122.742 121.223 0.070 0.000 2.109 188 L HA 0.057 4.401 4.340 0.007 0.000 0.207 188 L C 1.957 178.864 176.870 0.061 0.000 1.086 188 L CA 1.071 55.945 54.840 0.057 0.000 0.760 188 L CB -0.447 41.635 42.059 0.038 0.000 0.910 188 L HN 0.044 nan 8.230 nan 0.000 0.437 189 I N -1.645 118.969 120.570 0.073 0.000 2.315 189 I HA -0.293 3.881 4.170 0.007 0.000 0.248 189 I C 2.239 178.414 176.117 0.096 0.000 1.117 189 I CA 1.261 62.602 61.300 0.068 0.000 1.404 189 I CB -0.348 37.689 38.000 0.061 0.000 1.071 189 I HN 0.234 nan 8.210 nan 0.000 0.419 190 F N 1.592 121.535 119.950 -0.011 0.000 2.146 190 F HA -0.156 4.375 4.527 0.008 0.000 0.298 190 F C 2.498 178.292 175.800 -0.010 0.000 1.096 190 F CA 1.315 59.311 58.000 -0.007 0.000 1.275 190 F CB -0.334 38.663 39.000 -0.004 0.000 1.008 190 F HN -0.011 nan 8.300 nan 0.000 0.480 191 A N 0.025 122.896 122.820 0.086 0.000 1.908 191 A HA -0.224 4.100 4.320 0.007 0.000 0.218 191 A C 2.068 179.601 177.584 -0.085 0.000 1.181 191 A CA 1.979 54.013 52.037 -0.005 0.000 0.627 191 A CB -0.872 18.154 19.000 0.044 0.000 0.818 191 A HN 0.558 nan 8.150 nan 0.000 0.445 192 E N -1.356 118.806 120.200 -0.063 0.000 2.274 192 E HA -0.093 4.262 4.350 0.007 0.000 0.194 192 E C 2.006 178.545 176.600 -0.102 0.000 0.996 192 E CA 0.771 57.131 56.400 -0.067 0.000 0.840 192 E CB -0.014 29.664 29.700 -0.037 0.000 0.772 192 E HN 0.527 nan 8.360 nan 0.000 0.491 193 R N -0.339 120.065 120.500 -0.160 0.000 2.365 193 R HA 0.119 4.463 4.340 0.007 0.000 0.223 193 R C 0.199 176.345 176.300 -0.257 0.000 0.899 193 R CA 0.349 56.342 56.100 -0.179 0.000 1.059 193 R CB 0.897 31.104 30.300 -0.157 0.000 1.086 193 R HN -0.102 nan 8.270 nan 0.000 0.522 194 T N -1.330 113.015 114.554 -0.348 0.000 2.812 194 T HA 0.141 4.495 4.350 0.007 0.000 0.294 194 T C -1.003 173.551 174.700 -0.243 0.000 1.159 194 T CA -0.708 61.170 62.100 -0.369 0.000 1.008 194 T CB 1.574 70.012 68.868 -0.716 0.000 1.289 194 T HN 0.245 nan 8.240 nan 0.000 0.514 195 D N -0.033 120.256 120.400 -0.185 0.000 2.433 195 D HA 0.231 4.875 4.640 0.007 0.000 0.211 195 D C 0.267 176.493 176.300 -0.123 0.000 1.114 195 D CA -0.117 53.807 54.000 -0.127 0.000 0.837 195 D CB 0.019 40.759 40.800 -0.099 0.000 0.984 195 D HN 0.267 nan 8.370 nan 0.000 0.505 196 V N 1.853 121.687 119.914 -0.134 0.000 2.637 196 V HA 0.204 4.329 4.120 0.007 0.000 0.296 196 V C -1.926 174.155 176.094 -0.021 0.000 1.046 196 V CA -1.270 60.956 62.300 -0.123 0.000 1.066 196 V CB 0.792 32.592 31.823 -0.039 0.000 0.968 196 V HN 0.059 nan 8.190 nan 0.000 0.483 197 P HA 0.173 nan 4.420 nan 0.000 0.266 197 P C -0.692 176.634 177.300 0.043 0.000 1.195 197 P CA 0.134 63.223 63.100 -0.018 0.000 0.768 197 P CB 0.422 32.094 31.700 -0.047 0.000 0.838 198 L N 3.025 124.282 121.223 0.058 0.000 2.341 198 L HA 0.347 4.691 4.340 0.007 0.000 0.278 198 L C 0.554 177.463 176.870 0.065 0.000 1.005 198 L CA -0.691 54.192 54.840 0.071 0.000 0.818 198 L CB 1.225 43.334 42.059 0.083 0.000 1.259 198 L HN 0.487 nan 8.230 nan 0.000 0.418 199 H N 5.586 124.641 119.070 -0.025 0.000 2.594 199 H HA 0.419 4.979 4.556 0.007 0.000 0.304 199 H C -0.890 174.420 175.328 -0.031 0.000 1.068 199 H CA -0.561 55.470 56.048 -0.028 0.000 1.308 199 H CB 1.006 30.751 29.762 -0.029 0.000 1.409 199 H HN 0.573 nan 8.280 nan 0.000 0.460 200 I N 2.184 122.520 120.570 -0.390 0.000 2.648 200 I HA 0.836 5.011 4.170 0.007 0.000 0.304 200 I C -0.025 175.897 176.117 -0.324 0.000 1.009 200 I CA -0.632 60.511 61.300 -0.262 0.000 1.114 200 I CB 2.288 40.207 38.000 -0.134 0.000 1.293 200 I HN 0.693 nan 8.210 nan 0.000 0.449 201 G N 4.436 113.133 108.800 -0.171 0.000 2.339 201 G HA2 0.333 4.298 3.960 0.007 0.000 0.302 201 G HA3 0.333 4.298 3.960 0.007 0.000 0.302 201 G C -1.756 173.111 174.900 -0.054 0.000 1.425 201 G CA -0.900 44.129 45.100 -0.119 0.000 0.899 201 G HN 0.524 nan 8.290 nan 0.000 0.619 202 I N 1.704 122.254 120.570 -0.033 0.000 2.378 202 I HA 0.360 4.534 4.170 0.007 0.000 0.291 202 I C 1.725 177.840 176.117 -0.002 0.000 0.992 202 I CA -0.161 61.131 61.300 -0.014 0.000 1.154 202 I CB 0.826 38.819 38.000 -0.013 0.000 1.315 202 I HN 0.853 nan 8.210 nan 0.000 0.448 203 T N 2.133 116.691 114.554 0.006 0.000 2.706 203 T HA 0.031 4.385 4.350 0.007 0.000 0.255 203 T C 0.755 175.462 174.700 0.011 0.000 1.048 203 T CA 0.506 62.615 62.100 0.014 0.000 1.153 203 T CB -0.256 68.624 68.868 0.019 0.000 0.865 203 T HN 0.536 nan 8.240 nan 0.000 0.414 204 E N 1.814 122.020 120.200 0.010 0.000 2.392 204 E HA 0.512 4.867 4.350 0.007 0.000 0.307 204 E C 1.370 177.973 176.600 0.005 0.000 1.505 204 E CA -0.215 56.190 56.400 0.008 0.000 1.716 204 E CB 0.054 29.759 29.700 0.009 0.000 1.450 204 E HN 0.599 nan 8.360 nan 0.000 0.484 205 A N 1.586 124.409 122.820 0.004 0.000 1.972 205 A HA 0.107 4.431 4.320 0.007 0.000 0.219 205 A C 1.290 178.875 177.584 0.001 0.000 1.169 205 A CA 1.276 53.314 52.037 0.001 0.000 0.635 205 A CB -0.229 18.771 19.000 -0.001 0.000 0.810 205 A HN 0.579 nan 8.150 nan 0.000 0.446 206 G N -2.839 105.962 108.800 0.002 0.000 2.373 206 G HA2 0.173 4.138 3.960 0.007 0.000 0.634 206 G HA3 0.173 4.138 3.960 0.007 0.000 0.634 206 G C -0.599 174.302 174.900 0.002 0.000 1.267 206 G CA -0.300 44.801 45.100 0.002 0.000 1.008 206 G HN 0.223 nan 8.290 nan 0.000 0.497 207 M N 1.454 121.055 119.600 0.002 0.000 2.300 207 M HA 0.521 5.005 4.480 0.007 0.000 0.348 207 M C 1.525 177.826 176.300 0.002 0.000 1.151 207 M CA 0.855 56.156 55.300 0.002 0.000 1.046 207 M CB 0.138 32.740 32.600 0.002 0.000 1.647 207 M HN 2.459 nan 8.290 nan 0.000 0.451 208 G N 2.837 111.639 108.800 0.003 0.000 2.672 208 G HA2 -0.368 3.596 3.960 0.007 0.000 0.332 208 G HA3 -0.368 3.596 3.960 0.007 0.000 0.332 208 G C 0.875 175.776 174.900 0.002 0.000 1.213 208 G CA 1.212 46.314 45.100 0.003 0.000 0.980 208 G HN 0.613 nan 8.290 nan 0.000 0.548 209 T N 1.317 115.872 114.554 0.001 0.000 2.708 209 T HA -0.040 4.314 4.350 0.007 0.000 0.266 209 T C 2.313 177.012 174.700 -0.001 0.000 1.037 209 T CA 2.014 64.114 62.100 0.000 0.000 1.146 209 T CB -0.276 68.592 68.868 -0.000 0.000 0.865 209 T HN 0.572 nan 8.240 nan 0.000 0.435 210 K N 0.627 121.026 120.400 -0.001 0.000 2.103 210 K HA -0.070 4.254 4.320 0.007 0.000 0.207 210 K C 2.586 179.185 176.600 -0.002 0.000 1.048 210 K CA 1.270 57.556 56.287 -0.002 0.000 0.930 210 K CB -0.467 32.032 32.500 -0.001 0.000 0.716 210 K HN 0.397 nan 8.250 nan 0.000 0.444 211 G N 1.295 110.095 108.800 -0.001 0.000 2.408 211 G HA2 -0.202 3.762 3.960 0.007 0.000 0.217 211 G HA3 -0.202 3.762 3.960 0.007 0.000 0.217 211 G C 1.493 176.392 174.900 -0.002 0.000 1.150 211 G CA 0.550 45.649 45.100 -0.001 0.000 0.776 211 G HN 0.141 nan 8.290 nan 0.000 0.542 212 I N 0.340 120.910 120.570 -0.001 0.000 2.315 212 I HA -0.067 4.107 4.170 0.007 0.000 0.248 212 I C 2.571 178.685 176.117 -0.004 0.000 1.117 212 I CA 0.581 61.880 61.300 -0.001 0.000 1.404 212 I CB -0.124 37.877 38.000 0.001 0.000 1.071 212 I HN 0.143 nan 8.210 nan 0.000 0.419 213 I N 0.676 121.243 120.570 -0.004 0.000 2.163 213 I HA -0.297 3.877 4.170 0.007 0.000 0.240 213 I C 2.608 178.720 176.117 -0.008 0.000 1.081 213 I CA 1.445 62.741 61.300 -0.006 0.000 1.353 213 I CB -0.341 37.656 38.000 -0.006 0.000 1.054 213 I HN 0.109 nan 8.210 nan 0.000 0.407 214 K N 0.687 121.082 120.400 -0.007 0.000 2.103 214 K HA -0.172 4.152 4.320 0.007 0.000 0.207 214 K C 2.215 178.809 176.600 -0.010 0.000 1.048 214 K CA 1.801 58.083 56.287 -0.008 0.000 0.930 214 K CB 0.023 32.520 32.500 -0.006 0.000 0.716 214 K HN 0.183 nan 8.250 nan 0.000 0.444 215 S N -0.003 115.690 115.700 -0.011 0.000 2.368 215 S HA -0.079 4.395 4.470 0.007 0.000 0.224 215 S C 1.971 176.561 174.600 -0.017 0.000 1.029 215 S CA 1.336 59.527 58.200 -0.015 0.000 0.988 215 S CB -0.117 63.074 63.200 -0.015 0.000 0.838 215 S HN 0.286 nan 8.310 nan 0.000 0.462 216 S N 1.143 116.835 115.700 -0.013 0.000 2.368 216 S HA -0.053 4.421 4.470 0.007 0.000 0.225 216 S C 2.039 176.630 174.600 -0.014 0.000 1.030 216 S CA 0.961 59.154 58.200 -0.013 0.000 0.999 216 S CB -0.376 62.818 63.200 -0.009 0.000 0.844 216 S HN 0.301 nan 8.310 nan 0.000 0.459 217 V N 1.589 121.494 119.914 -0.014 0.000 2.261 217 V HA -0.144 3.980 4.120 0.007 0.000 0.246 217 V C 2.628 178.715 176.094 -0.012 0.000 1.047 217 V CA 2.040 64.330 62.300 -0.016 0.000 1.015 217 V CB -1.513 30.301 31.823 -0.016 0.000 0.642 217 V HN 0.571 nan 8.190 nan 0.000 0.446 218 G N -0.084 108.708 108.800 -0.012 0.000 2.480 218 G HA2 -0.233 3.731 3.960 0.007 0.000 0.216 218 G HA3 -0.233 3.731 3.960 0.007 0.000 0.216 218 G C 1.577 176.469 174.900 -0.013 0.000 1.200 218 G CA 1.246 46.339 45.100 -0.011 0.000 0.782 218 G HN 0.481 nan 8.290 nan 0.000 0.554 219 I N 1.375 121.931 120.570 -0.022 0.000 2.226 219 I HA -0.067 4.107 4.170 0.007 0.000 0.245 219 I C 3.106 179.218 176.117 -0.009 0.000 1.100 219 I CA 1.024 62.307 61.300 -0.029 0.000 1.374 219 I CB -0.543 37.429 38.000 -0.046 0.000 1.057 219 I HN 0.245 nan 8.210 nan 0.000 0.413 220 G N 1.221 110.020 108.800 -0.002 0.000 2.440 220 G HA2 -0.226 3.738 3.960 0.007 0.000 0.218 220 G HA3 -0.226 3.738 3.960 0.007 0.000 0.218 220 G C 1.704 176.633 174.900 0.049 0.000 1.154 220 G CA 0.842 45.952 45.100 0.016 0.000 0.767 220 G HN 0.322 nan 8.290 nan 0.000 0.552 221 I N 0.248 120.839 120.570 0.035 0.000 2.142 221 I HA -0.154 4.020 4.170 0.007 0.000 0.240 221 I C 2.772 178.953 176.117 0.106 0.000 1.078 221 I CA 0.772 62.112 61.300 0.068 0.000 1.343 221 I CB -0.267 37.753 38.000 0.033 0.000 1.046 221 I HN 0.128 nan 8.210 nan 0.000 0.405 222 L N -0.357 120.899 121.223 0.055 0.000 2.012 222 L HA -0.258 4.086 4.340 0.007 0.000 0.210 222 L C 2.526 179.419 176.870 0.039 0.000 1.073 222 L CA 1.035 55.898 54.840 0.039 0.000 0.748 222 L CB -0.571 41.493 42.059 0.008 0.000 0.891 222 L HN 0.239 nan 8.230 nan 0.000 0.431 223 L N -0.979 120.267 121.223 0.038 0.000 2.042 223 L HA -0.280 4.064 4.340 0.007 0.000 0.210 223 L C 2.434 179.340 176.870 0.060 0.000 1.076 223 L CA 1.817 56.677 54.840 0.033 0.000 0.749 223 L CB -1.146 40.929 42.059 0.027 0.000 0.893 223 L HN 0.239 nan 8.230 nan 0.000 0.432 224 Y N -0.653 119.639 120.300 -0.014 0.000 2.224 224 Y HA -0.247 4.307 4.550 0.007 0.000 0.289 224 Y C 2.395 178.291 175.900 -0.008 0.000 1.146 224 Y CA 1.499 59.593 58.100 -0.010 0.000 1.182 224 Y CB -0.072 38.383 38.460 -0.008 0.000 0.983 224 Y HN 0.113 nan 8.280 nan 0.000 0.524 225 M N -0.541 119.049 119.600 -0.018 0.000 2.630 225 M HA 0.088 4.572 4.480 0.007 0.000 0.254 225 M C 1.803 178.038 176.300 -0.109 0.000 1.092 225 M CA 1.322 56.570 55.300 -0.086 0.000 1.087 225 M CB -1.222 31.386 32.600 0.014 0.000 1.453 225 M HN 0.591 nan 8.290 nan 0.000 0.509 226 G N 1.513 110.256 108.800 -0.095 0.000 2.157 226 G HA2 -0.243 3.722 3.960 0.007 0.000 0.248 226 G HA3 -0.243 3.722 3.960 0.007 0.000 0.248 226 G C 0.171 175.046 174.900 -0.041 0.000 0.979 226 G CA -0.158 44.897 45.100 -0.075 0.000 0.650 226 G HN 0.470 nan 8.290 nan 0.000 0.529 227 I N 0.893 121.449 120.570 -0.024 0.000 2.396 227 I HA 0.582 4.756 4.170 0.007 0.000 0.292 227 I C 0.880 176.990 176.117 -0.012 0.000 0.999 227 I CA 0.400 61.695 61.300 -0.008 0.000 1.310 227 I CB 1.612 39.617 38.000 0.009 0.000 1.404 227 I HN 0.849 nan 8.210 nan 0.000 0.496 228 G N 4.160 112.953 108.800 -0.012 0.000 3.305 228 G HA2 -0.073 3.891 3.960 0.007 0.000 0.649 228 G HA3 -0.073 3.891 3.960 0.007 0.000 0.649 228 G C -0.808 174.075 174.900 -0.028 0.000 1.255 228 G CA -0.753 44.330 45.100 -0.028 0.000 1.137 228 G HN 0.735 nan 8.290 nan 0.000 0.535 229 D N -0.124 120.264 120.400 -0.019 0.000 2.423 229 D HA 0.313 4.957 4.640 0.007 0.000 0.212 229 D C 1.153 177.446 176.300 -0.012 0.000 1.060 229 D CA 1.210 55.202 54.000 -0.014 0.000 0.872 229 D CB 1.151 41.948 40.800 -0.006 0.000 1.012 229 D HN 0.610 nan 8.370 nan 0.000 0.503 230 T N 0.043 114.592 114.554 -0.010 0.000 2.933 230 T HA 0.547 4.901 4.350 0.007 0.000 0.305 230 T C -1.652 172.985 174.700 -0.105 0.000 1.092 230 T CA -0.684 61.414 62.100 -0.003 0.000 1.008 230 T CB 1.378 70.309 68.868 0.105 0.000 1.102 230 T HN -0.240 nan 8.240 nan 0.000 0.469 231 V N 5.279 125.117 119.914 -0.128 0.000 2.604 231 V HA 0.734 4.859 4.120 0.007 0.000 0.305 231 V C -0.083 175.911 176.094 -0.167 0.000 1.043 231 V CA -0.912 61.265 62.300 -0.205 0.000 0.888 231 V CB 1.887 33.611 31.823 -0.165 0.000 0.995 231 V HN 0.836 nan 8.190 nan 0.000 0.429 232 R N 2.906 123.276 120.500 -0.216 0.000 2.538 232 R HA 0.598 4.942 4.340 0.007 0.000 0.292 232 R C -1.791 174.469 176.300 -0.066 0.000 1.008 232 R CA -0.429 55.630 56.100 -0.068 0.000 0.896 232 R CB 2.213 32.569 30.300 0.093 0.000 1.187 232 R HN 0.541 nan 8.270 nan 0.000 0.440 233 V N 3.171 123.064 119.914 -0.036 0.000 2.432 233 V HA 0.186 4.310 4.120 0.007 0.000 0.271 233 V C 0.185 176.279 176.094 -0.001 0.000 1.046 233 V CA -0.124 62.162 62.300 -0.023 0.000 0.945 233 V CB 1.522 33.335 31.823 -0.017 0.000 0.992 233 V HN 0.684 nan 8.190 nan 0.000 0.471 234 S N 6.568 122.269 115.700 0.001 0.000 2.464 234 S HA 0.546 5.021 4.470 0.007 0.000 0.313 234 S C -0.505 174.100 174.600 0.008 0.000 1.078 234 S CA -0.384 57.823 58.200 0.012 0.000 1.096 234 S CB 0.171 63.381 63.200 0.017 0.000 1.032 234 S HN 0.401 nan 8.310 nan 0.000 0.498 235 L N 2.747 123.975 121.223 0.009 0.000 2.341 235 L HA 0.419 4.763 4.340 0.007 0.000 0.278 235 L C 0.890 177.764 176.870 0.008 0.000 1.005 235 L CA -0.229 54.615 54.840 0.007 0.000 0.818 235 L CB 1.608 43.671 42.059 0.008 0.000 1.259 235 L HN 0.509 nan 8.230 nan 0.000 0.418 236 T N 1.771 116.329 114.554 0.006 0.000 4.219 236 T HA 0.337 4.691 4.350 0.007 0.000 0.263 236 T C -0.339 174.364 174.700 0.005 0.000 1.217 236 T CA 0.215 62.318 62.100 0.005 0.000 1.145 236 T CB -0.862 68.008 68.868 0.005 0.000 1.298 236 T HN 0.686 nan 8.240 nan 0.000 0.999 237 D N 1.402 121.806 120.400 0.006 0.000 2.992 237 D HA 0.208 4.852 4.640 0.007 0.000 0.349 237 D C -1.485 174.819 176.300 0.008 0.000 1.393 237 D CA -0.593 53.411 54.000 0.006 0.000 0.887 237 D CB 0.892 41.697 40.800 0.007 0.000 1.447 237 D HN 0.291 nan 8.370 nan 0.000 0.524 238 D N -0.217 120.189 120.400 0.009 0.000 2.458 238 D HA 0.211 4.855 4.640 0.007 0.000 0.243 238 D C -1.630 174.679 176.300 0.015 0.000 1.146 238 D CA -1.120 52.886 54.000 0.011 0.000 0.877 238 D CB 1.558 42.364 40.800 0.011 0.000 1.176 238 D HN -0.002 nan 8.370 nan 0.000 0.461 239 P HA -0.120 nan 4.420 nan 0.000 0.222 239 P C 1.232 178.551 177.300 0.032 0.000 1.147 239 P CA 0.420 63.535 63.100 0.024 0.000 0.790 239 P CB 0.291 32.006 31.700 0.025 0.000 0.780 240 V N -0.673 119.259 119.914 0.030 0.000 2.427 240 V HA -0.174 3.950 4.120 0.007 0.000 0.248 240 V C 2.397 178.513 176.094 0.037 0.000 1.051 240 V CA 1.583 63.904 62.300 0.035 0.000 1.048 240 V CB -1.111 30.727 31.823 0.026 0.000 0.666 240 V HN -0.012 nan 8.190 nan 0.000 0.456 241 V N 0.093 120.024 119.914 0.028 0.000 2.407 241 V HA -0.254 3.870 4.120 0.007 0.000 0.248 241 V C 2.400 178.513 176.094 0.031 0.000 1.055 241 V CA 1.899 64.215 62.300 0.026 0.000 1.049 241 V CB -0.747 31.086 31.823 0.018 0.000 0.662 241 V HN 0.634 nan 8.190 nan 0.000 0.455 242 E N 0.096 120.313 120.200 0.029 0.000 2.085 242 E HA -0.182 4.172 4.350 0.007 0.000 0.194 242 E C 2.254 178.875 176.600 0.035 0.000 0.994 242 E CA 1.594 58.010 56.400 0.025 0.000 0.801 242 E CB -0.243 29.471 29.700 0.023 0.000 0.743 242 E HN 0.500 nan 8.360 nan 0.000 0.453 243 V N 1.455 121.405 119.914 0.060 0.000 2.379 243 V HA -0.218 3.906 4.120 0.007 0.000 0.245 243 V C 2.047 178.248 176.094 0.179 0.000 1.044 243 V CA 1.743 64.109 62.300 0.109 0.000 1.036 243 V CB -0.473 31.434 31.823 0.140 0.000 0.664 243 V HN 0.206 nan 8.190 nan 0.000 0.453 244 E N 0.180 120.455 120.200 0.125 0.000 2.085 244 E HA -0.197 4.157 4.350 0.007 0.000 0.194 244 E C 2.287 178.949 176.600 0.103 0.000 0.994 244 E CA 1.900 58.368 56.400 0.113 0.000 0.801 244 E CB -0.265 29.468 29.700 0.054 0.000 0.743 244 E HN 0.606 nan 8.360 nan 0.000 0.453 245 T N 0.792 115.384 114.554 0.063 0.000 2.777 245 T HA -0.114 4.240 4.350 0.007 0.000 0.266 245 T C 2.013 176.729 174.700 0.027 0.000 1.040 245 T CA 1.077 63.200 62.100 0.038 0.000 1.141 245 T CB -0.212 68.667 68.868 0.018 0.000 0.868 245 T HN 0.239 nan 8.240 nan 0.000 0.444 246 A N 0.600 123.424 122.820 0.007 0.000 1.883 246 A HA -0.106 4.218 4.320 0.007 0.000 0.217 246 A C 2.069 179.599 177.584 -0.090 0.000 1.186 246 A CA 1.449 53.442 52.037 -0.073 0.000 0.624 246 A CB -1.151 17.762 19.000 -0.145 0.000 0.822 246 A HN 0.582 nan 8.150 nan 0.000 0.444 247 Y N -0.063 120.231 120.300 -0.009 0.000 2.293 247 Y HA -0.153 4.402 4.550 0.007 0.000 0.291 247 Y C 2.679 178.574 175.900 -0.007 0.000 1.137 247 Y CA 1.392 59.487 58.100 -0.009 0.000 1.202 247 Y CB 0.074 38.526 38.460 -0.013 0.000 0.990 247 Y HN 0.287 nan 8.280 nan 0.000 0.537 248 E N 0.324 120.606 120.200 0.138 0.000 2.051 248 E HA -0.189 4.165 4.350 0.007 0.000 0.192 248 E C 2.224 178.852 176.600 0.045 0.000 0.991 248 E CA 1.264 57.710 56.400 0.076 0.000 0.799 248 E CB -0.384 29.347 29.700 0.052 0.000 0.748 248 E HN 0.527 nan 8.360 nan 0.000 0.449 249 I N 0.826 121.410 120.570 0.024 0.000 2.208 249 I HA -0.289 3.885 4.170 0.007 0.000 0.245 249 I C 2.455 178.577 176.117 0.009 0.000 1.097 249 I CA 0.929 62.232 61.300 0.006 0.000 1.363 249 I CB -0.260 37.732 38.000 -0.015 0.000 1.051 249 I HN 0.040 nan 8.210 nan 0.000 0.413 250 L N 0.267 121.491 121.223 0.002 0.000 2.141 250 L HA -0.178 4.166 4.340 0.007 0.000 0.209 250 L C 2.546 179.442 176.870 0.042 0.000 1.094 250 L CA 1.253 56.096 54.840 0.006 0.000 0.763 250 L CB -0.435 41.603 42.059 -0.035 0.000 0.908 250 L HN 0.152 nan 8.230 nan 0.000 0.437 251 K N -0.369 120.070 120.400 0.065 0.000 2.148 251 K HA -0.112 4.212 4.320 0.007 0.000 0.204 251 K C 2.249 178.875 176.600 0.043 0.000 1.050 251 K CA 1.143 57.468 56.287 0.063 0.000 0.942 251 K CB 0.090 32.631 32.500 0.069 0.000 0.724 251 K HN 0.122 nan 8.250 nan 0.000 0.446 252 S N 0.891 116.612 115.700 0.036 0.000 2.402 252 S HA -0.109 4.365 4.470 0.007 0.000 0.233 252 S C 1.350 175.971 174.600 0.034 0.000 1.030 252 S CA 1.054 59.270 58.200 0.028 0.000 1.003 252 S CB -0.041 63.171 63.200 0.020 0.000 0.813 252 S HN 0.275 nan 8.310 nan 0.000 0.477 253 L N 0.318 121.565 121.223 0.041 0.000 2.769 253 L HA 0.330 4.674 4.340 0.007 0.000 0.240 253 L C 1.247 178.145 176.870 0.046 0.000 1.163 253 L CA -0.031 54.840 54.840 0.052 0.000 0.962 253 L CB -0.126 41.969 42.059 0.062 0.000 1.258 253 L HN 0.373 nan 8.230 nan 0.000 0.513 254 G N 0.803 109.629 108.800 0.043 0.000 2.305 254 G HA2 -0.284 3.681 3.960 0.007 0.000 0.287 254 G HA3 -0.284 3.681 3.960 0.007 0.000 0.287 254 G C 0.581 175.508 174.900 0.044 0.000 1.036 254 G CA 0.665 45.791 45.100 0.044 0.000 0.887 254 G HN 0.399 nan 8.290 nan 0.000 0.505 255 L N -1.918 119.330 121.223 0.043 0.000 2.362 255 L HA 0.431 4.775 4.340 0.007 0.000 0.204 255 L C 1.439 178.339 176.870 0.051 0.000 1.060 255 L CA 0.365 55.227 54.840 0.036 0.000 0.827 255 L CB 0.021 42.090 42.059 0.017 0.000 1.027 255 L HN 0.103 nan 8.230 nan 0.000 0.474 256 R N 1.121 121.666 120.500 0.075 0.000 2.651 256 R HA 0.494 4.838 4.340 0.007 0.000 0.278 256 R C -1.238 175.168 176.300 0.177 0.000 1.010 256 R CA -0.541 55.643 56.100 0.141 0.000 0.896 256 R CB 2.258 32.660 30.300 0.171 0.000 1.211 256 R HN 0.049 nan 8.270 nan 0.000 0.456 257 R N 1.505 122.093 120.500 0.147 0.000 2.628 257 R HA 0.501 4.845 4.340 0.007 0.000 0.288 257 R C -0.500 175.769 176.300 -0.052 0.000 0.980 257 R CA -0.990 55.153 56.100 0.070 0.000 0.891 257 R CB 2.040 32.356 30.300 0.027 0.000 1.188 257 R HN 0.270 nan 8.270 nan 0.000 0.450 258 R N 1.588 121.975 120.500 -0.189 0.000 2.204 258 R HA 0.375 4.720 4.340 0.007 0.000 0.341 258 R C 0.224 176.411 176.300 -0.188 0.000 1.035 258 R CA 0.803 56.691 56.100 -0.353 0.000 0.887 258 R CB 0.851 30.784 30.300 -0.611 0.000 1.114 258 R HN 1.030 nan 8.270 nan 0.000 0.473 259 G N 1.160 109.872 108.800 -0.147 0.000 2.760 259 G HA2 -0.279 3.686 3.960 0.007 0.000 0.246 259 G HA3 -0.279 3.686 3.960 0.007 0.000 0.246 259 G C -0.664 174.197 174.900 -0.064 0.000 1.359 259 G CA -0.381 44.662 45.100 -0.095 0.000 0.861 259 G HN 0.496 nan 8.290 nan 0.000 0.541 260 V N 0.443 120.327 119.914 -0.050 0.000 2.637 260 V HA 0.554 4.678 4.120 0.007 0.000 0.296 260 V C 0.673 176.748 176.094 -0.032 0.000 1.046 260 V CA 0.875 63.153 62.300 -0.038 0.000 1.066 260 V CB 1.381 33.182 31.823 -0.036 0.000 0.968 260 V HN 0.905 nan 8.190 nan 0.000 0.483 261 E N 6.211 126.397 120.200 -0.023 0.000 2.165 261 E HA 0.440 4.795 4.350 0.007 0.000 0.266 261 E C -1.137 175.454 176.600 -0.015 0.000 0.889 261 E CA -0.673 55.718 56.400 -0.015 0.000 0.756 261 E CB 1.358 31.055 29.700 -0.005 0.000 1.131 261 E HN 0.737 nan 8.360 nan 0.000 0.411 262 I N 4.709 125.270 120.570 -0.015 0.000 2.321 262 I HA 0.280 4.455 4.170 0.007 0.000 0.291 262 I C -0.666 175.448 176.117 -0.004 0.000 0.998 262 I CA -0.851 60.440 61.300 -0.014 0.000 1.227 262 I CB 1.518 39.507 38.000 -0.019 0.000 1.368 262 I HN 0.241 nan 8.210 nan 0.000 0.466 263 V N 5.497 125.413 119.914 0.003 0.000 2.540 263 V HA 0.706 4.830 4.120 0.007 0.000 0.302 263 V C 0.251 176.357 176.094 0.019 0.000 1.035 263 V CA -0.625 61.682 62.300 0.012 0.000 0.873 263 V CB 1.611 33.446 31.823 0.019 0.000 0.992 263 V HN 0.830 nan 8.190 nan 0.000 0.428 264 A N 2.888 125.717 122.820 0.016 0.000 2.269 264 A HA 0.749 5.073 4.320 0.007 0.000 0.319 264 A C 0.440 178.038 177.584 0.023 0.000 1.110 264 A CA -0.243 51.806 52.037 0.020 0.000 0.847 264 A CB 0.895 19.901 19.000 0.011 0.000 1.161 264 A HN 1.368 nan 8.150 nan 0.000 0.497 265 C N -0.357 118.958 119.300 0.025 0.000 2.639 265 C HA 0.534 4.998 4.460 0.007 0.000 0.360 265 C C -1.151 173.845 174.990 0.010 0.000 1.351 265 C CA -0.782 58.248 59.018 0.019 0.000 2.408 265 C CB -0.088 27.663 27.740 0.019 0.000 2.517 265 C HN 0.653 nan 8.230 nan 0.000 0.696 266 P HA 0.064 nan 4.420 nan 0.000 0.222 266 P C 0.925 178.226 177.300 0.001 0.000 1.153 266 P CA 1.777 64.879 63.100 0.003 0.000 0.798 266 P CB -0.061 31.640 31.700 0.002 0.000 0.796 267 T N -3.183 111.372 114.554 0.001 0.000 2.797 267 T HA 0.561 4.915 4.350 0.007 0.000 0.267 267 T C 0.201 174.900 174.700 -0.001 0.000 0.986 267 T CA -0.546 61.555 62.100 0.000 0.000 0.999 267 T CB 0.877 69.745 68.868 0.000 0.000 1.508 267 T HN 0.197 nan 8.240 nan 0.000 0.595 268 C N -1.530 117.768 119.300 -0.002 0.000 3.256 268 C HA 0.908 5.372 4.460 0.007 0.000 0.361 268 C C 2.084 177.072 174.990 -0.003 0.000 1.665 268 C CA -0.074 58.942 59.018 -0.003 0.000 1.445 268 C CB 0.458 28.195 27.740 -0.005 0.000 2.144 268 C HN 1.132 nan 8.230 nan 0.000 0.448 269 G N -0.137 108.662 108.800 -0.002 0.000 2.776 269 G HA2 0.064 4.028 3.960 0.007 0.000 0.209 269 G HA3 0.064 4.028 3.960 0.007 0.000 0.209 269 G C 1.400 176.300 174.900 -0.000 0.000 1.145 269 G CA 0.017 45.116 45.100 -0.001 0.000 0.791 269 G HN 0.803 nan 8.290 nan 0.000 0.530 270 R N -0.041 120.458 120.500 -0.002 0.000 2.276 270 R HA 0.147 4.491 4.340 0.007 0.000 0.196 270 R C 0.901 177.200 176.300 -0.001 0.000 0.961 270 R CA -0.277 55.823 56.100 -0.000 0.000 1.024 270 R CB -0.194 30.105 30.300 -0.002 0.000 0.940 270 R HN 0.546 nan 8.270 nan 0.000 0.480 271 I N 0.811 121.379 120.570 -0.003 0.000 3.089 271 I HA -0.197 3.977 4.170 0.007 0.000 0.321 271 I C 0.324 176.436 176.117 -0.009 0.000 1.222 271 I CA 1.019 62.315 61.300 -0.007 0.000 1.452 271 I CB 0.328 38.324 38.000 -0.006 0.000 1.321 271 I HN 0.086 nan 8.210 nan 0.000 0.539 272 E N 4.376 124.565 120.200 -0.019 0.000 2.511 272 E HA 0.188 4.542 4.350 0.007 0.000 0.209 272 E C -0.042 176.539 176.600 -0.033 0.000 0.986 272 E CA -0.036 56.349 56.400 -0.025 0.000 0.974 272 E CB 1.041 30.717 29.700 -0.041 0.000 1.030 272 E HN 0.708 nan 8.360 nan 0.000 0.490 273 V N -1.563 118.331 119.914 -0.032 0.000 3.078 273 V HA 0.386 4.511 4.120 0.007 0.000 0.311 273 V C -0.760 175.322 176.094 -0.020 0.000 1.138 273 V CA -1.321 60.960 62.300 -0.032 0.000 1.007 273 V CB 1.979 33.774 31.823 -0.047 0.000 1.045 273 V HN -0.180 nan 8.190 nan 0.000 0.432 274 D N 1.545 121.934 120.400 -0.018 0.000 2.441 274 D HA 0.098 4.743 4.640 0.007 0.000 0.243 274 D C 0.736 177.027 176.300 -0.014 0.000 1.257 274 D CA 0.067 54.059 54.000 -0.013 0.000 1.027 274 D CB 0.720 41.513 40.800 -0.011 0.000 1.084 274 D HN 0.669 nan 8.370 nan 0.000 0.514 275 L N 6.053 127.269 121.223 -0.011 0.000 2.083 275 L HA 0.045 4.389 4.340 0.007 0.000 0.209 275 L C -0.980 175.885 176.870 -0.008 0.000 1.083 275 L CA 1.472 56.307 54.840 -0.009 0.000 0.752 275 L CB -0.828 41.228 42.059 -0.005 0.000 0.899 275 L HN 0.318 nan 8.230 nan 0.000 0.433 276 P HA -0.213 nan 4.420 nan 0.000 0.216 276 P C 1.431 178.726 177.300 -0.009 0.000 1.150 276 P CA 1.489 64.585 63.100 -0.007 0.000 0.837 276 P CB -0.034 31.662 31.700 -0.006 0.000 0.786 277 K N -0.304 120.090 120.400 -0.010 0.000 2.097 277 K HA -0.105 4.219 4.320 0.007 0.000 0.206 277 K C 1.933 178.525 176.600 -0.014 0.000 1.049 277 K CA 1.040 57.320 56.287 -0.011 0.000 0.933 277 K CB -0.615 31.878 32.500 -0.011 0.000 0.717 277 K HN -0.069 nan 8.250 nan 0.000 0.442 278 V N 0.305 120.210 119.914 -0.015 0.000 2.591 278 V HA -0.134 3.990 4.120 0.007 0.000 0.249 278 V C 1.925 178.008 176.094 -0.017 0.000 1.053 278 V CA 1.162 63.451 62.300 -0.018 0.000 1.068 278 V CB 0.245 32.054 31.823 -0.022 0.000 0.689 278 V HN 0.155 nan 8.190 nan 0.000 0.462 279 V N 0.240 120.146 119.914 -0.014 0.000 2.343 279 V HA -0.259 3.865 4.120 0.007 0.000 0.247 279 V C 2.489 178.574 176.094 -0.014 0.000 1.051 279 V CA 2.462 64.754 62.300 -0.013 0.000 1.036 279 V CB -0.742 31.076 31.823 -0.008 0.000 0.654 279 V HN 0.536 nan 8.190 nan 0.000 0.451 280 K N -0.261 120.131 120.400 -0.013 0.000 2.147 280 K HA -0.222 4.102 4.320 0.007 0.000 0.205 280 K C 2.212 178.803 176.600 -0.015 0.000 1.049 280 K CA 1.583 57.862 56.287 -0.013 0.000 0.936 280 K CB -0.150 32.344 32.500 -0.011 0.000 0.722 280 K HN 0.517 nan 8.250 nan 0.000 0.446 281 E N 0.594 120.785 120.200 -0.016 0.000 2.150 281 E HA -0.138 4.216 4.350 0.007 0.000 0.193 281 E C 1.774 178.361 176.600 -0.021 0.000 0.985 281 E CA 0.738 57.127 56.400 -0.018 0.000 0.814 281 E CB 0.291 29.980 29.700 -0.018 0.000 0.752 281 E HN 0.048 nan 8.360 nan 0.000 0.466 282 V N 0.916 120.816 119.914 -0.023 0.000 2.379 282 V HA -0.223 3.901 4.120 0.007 0.000 0.245 282 V C 2.187 178.266 176.094 -0.025 0.000 1.044 282 V CA 1.626 63.910 62.300 -0.028 0.000 1.036 282 V CB -0.429 31.375 31.823 -0.031 0.000 0.664 282 V HN 0.260 nan 8.190 nan 0.000 0.453 283 Q N -0.369 119.419 119.800 -0.021 0.000 2.291 283 Q HA -0.200 4.144 4.340 0.007 0.000 0.205 283 Q C 2.176 178.165 176.000 -0.019 0.000 0.970 283 Q CA 1.410 57.201 55.803 -0.019 0.000 0.876 283 Q CB -0.024 28.705 28.738 -0.016 0.000 0.935 283 Q HN 0.710 nan 8.270 nan 0.000 0.455 284 E N 0.279 120.468 120.200 -0.018 0.000 2.042 284 E HA -0.100 4.254 4.350 0.007 0.000 0.189 284 E C 1.686 178.275 176.600 -0.018 0.000 0.974 284 E CA 0.693 57.083 56.400 -0.017 0.000 0.806 284 E CB 0.231 29.922 29.700 -0.015 0.000 0.769 284 E HN 0.019 nan 8.360 nan 0.000 0.451 285 K N 0.169 120.556 120.400 -0.020 0.000 2.288 285 K HA 0.009 4.333 4.320 0.007 0.000 0.201 285 K C 1.189 177.775 176.600 -0.023 0.000 1.048 285 K CA 0.537 56.811 56.287 -0.021 0.000 0.956 285 K CB 0.319 32.805 32.500 -0.023 0.000 0.746 285 K HN 0.015 nan 8.250 nan 0.000 0.461 286 L N 0.816 122.024 121.223 -0.026 0.000 2.640 286 L HA 0.164 4.508 4.340 0.007 0.000 0.230 286 L C 0.038 176.893 176.870 -0.026 0.000 1.123 286 L CA 0.325 55.148 54.840 -0.028 0.000 0.900 286 L CB -0.683 41.357 42.059 -0.033 0.000 1.146 286 L HN 0.008 nan 8.230 nan 0.000 0.484 287 S N -0.028 115.658 115.700 -0.023 0.000 2.488 287 S HA 0.437 4.912 4.470 0.007 0.000 0.278 287 S C 1.221 175.807 174.600 -0.022 0.000 1.259 287 S CA 0.338 58.525 58.200 -0.022 0.000 1.061 287 S CB 0.960 64.149 63.200 -0.019 0.000 0.910 287 S HN 0.542 nan 8.310 nan 0.000 0.491 288 G N 1.591 110.377 108.800 -0.024 0.000 2.134 288 G HA2 -0.188 3.777 3.960 0.007 0.000 0.209 288 G HA3 -0.188 3.777 3.960 0.007 0.000 0.209 288 G C -0.164 174.720 174.900 -0.026 0.000 0.993 288 G CA -0.217 44.869 45.100 -0.024 0.000 0.669 288 G HN 1.100 nan 8.290 nan 0.000 0.519 289 V N 1.630 121.527 119.914 -0.029 0.000 2.383 289 V HA 0.430 4.554 4.120 0.007 0.000 0.275 289 V C 1.012 177.084 176.094 -0.037 0.000 1.036 289 V CA -0.468 61.814 62.300 -0.030 0.000 0.889 289 V CB 1.585 33.390 31.823 -0.030 0.000 0.985 289 V HN 0.192 nan 8.190 nan 0.000 0.459 290 K N 1.556 121.933 120.400 -0.038 0.000 2.367 290 K HA 0.135 4.459 4.320 0.007 0.000 0.194 290 K C 0.732 177.300 176.600 -0.053 0.000 1.027 290 K CA 0.091 56.348 56.287 -0.050 0.000 1.075 290 K CB 0.154 32.624 32.500 -0.050 0.000 0.845 290 K HN 0.629 nan 8.250 nan 0.000 0.529 291 T N 5.122 119.652 114.554 -0.040 0.000 2.853 291 T HA 0.065 4.420 4.350 0.007 0.000 0.298 291 T C -2.362 172.316 174.700 -0.036 0.000 0.978 291 T CA -0.988 61.092 62.100 -0.033 0.000 1.152 291 T CB 0.841 69.697 68.868 -0.021 0.000 0.914 291 T HN 0.033 nan 8.240 nan 0.000 0.539 292 P HA 0.201 nan 4.420 nan 0.000 0.244 292 P C -0.761 176.534 177.300 -0.008 0.000 1.723 292 P CA 0.111 63.193 63.100 -0.031 0.000 1.110 292 P CB -0.256 31.427 31.700 -0.027 0.000 1.972 293 L N 1.496 122.710 121.223 -0.016 0.000 2.342 293 L HA 0.482 4.826 4.340 0.007 0.000 0.271 293 L C 0.683 177.542 176.870 -0.019 0.000 1.008 293 L CA -1.069 53.762 54.840 -0.014 0.000 0.818 293 L CB 2.719 44.763 42.059 -0.025 0.000 1.296 293 L HN 0.012 nan 8.230 nan 0.000 0.427 294 K N 1.949 122.337 120.400 -0.020 0.000 2.264 294 K HA 0.501 4.825 4.320 0.007 0.000 0.277 294 K C -1.341 175.236 176.600 -0.039 0.000 1.067 294 K CA -0.446 55.830 56.287 -0.018 0.000 0.900 294 K CB 1.114 33.614 32.500 0.001 0.000 1.124 294 K HN 0.342 nan 8.250 nan 0.000 0.469 295 V N 3.378 123.269 119.914 -0.038 0.000 2.398 295 V HA 0.522 4.647 4.120 0.007 0.000 0.286 295 V C -0.255 175.819 176.094 -0.033 0.000 1.026 295 V CA -0.958 61.305 62.300 -0.062 0.000 0.868 295 V CB 1.270 33.052 31.823 -0.069 0.000 0.982 295 V HN 0.868 nan 8.190 nan 0.000 0.443 296 A N 4.894 127.696 122.820 -0.030 0.000 2.287 296 A HA 0.775 5.099 4.320 0.007 0.000 0.317 296 A C -0.593 177.022 177.584 0.052 0.000 1.220 296 A CA -0.500 51.573 52.037 0.061 0.000 0.835 296 A CB 1.139 20.268 19.000 0.214 0.000 1.180 296 A HN 0.704 nan 8.150 nan 0.000 0.500 297 V N 4.540 124.483 119.914 0.048 0.000 2.318 297 V HA 0.365 4.489 4.120 0.007 0.000 0.271 297 V C -0.252 175.886 176.094 0.073 0.000 1.030 297 V CA -0.427 61.897 62.300 0.040 0.000 0.844 297 V CB 0.649 32.476 31.823 0.007 0.000 1.015 297 V HN 0.850 nan 8.190 nan 0.000 0.460 298 M N 2.944 122.614 119.600 0.116 0.000 2.404 298 M HA 0.444 4.928 4.480 0.007 0.000 0.338 298 M C 1.375 177.706 176.300 0.051 0.000 1.150 298 M CA -0.542 54.820 55.300 0.102 0.000 1.016 298 M CB 1.225 33.918 32.600 0.156 0.000 1.672 298 M HN 0.589 nan 8.290 nan 0.000 0.448 299 G N 1.438 110.252 108.800 0.025 0.000 2.448 299 G HA2 0.028 3.992 3.960 0.007 0.000 0.218 299 G HA3 0.028 3.992 3.960 0.007 0.000 0.218 299 G C 0.643 175.537 174.900 -0.009 0.000 1.135 299 G CA 0.673 45.775 45.100 0.003 0.000 0.784 299 G HN 0.816 nan 8.290 nan 0.000 0.543 300 C N -2.787 116.511 119.300 -0.002 0.000 3.082 300 C HA 0.814 5.278 4.460 0.007 0.000 0.384 300 C C 1.466 176.460 174.990 0.006 0.000 1.832 300 C CA -0.255 58.756 59.018 -0.010 0.000 1.605 300 C CB 1.351 29.089 27.740 -0.004 0.000 2.303 300 C HN 0.022 nan 8.230 nan 0.000 0.473 301 V N -0.192 119.737 119.914 0.024 0.000 2.868 301 V HA 0.055 4.179 4.120 0.007 0.000 0.227 301 V C 2.231 178.358 176.094 0.055 0.000 1.136 301 V CA 1.256 63.610 62.300 0.091 0.000 1.206 301 V CB -0.769 31.164 31.823 0.183 0.000 0.997 301 V HN 0.823 nan 8.190 nan 0.000 0.505 302 V N 1.177 121.116 119.914 0.041 0.000 2.237 302 V HA -0.255 3.869 4.120 0.007 0.000 0.245 302 V C 1.969 178.018 176.094 -0.076 0.000 1.046 302 V CA 2.742 65.028 62.300 -0.022 0.000 1.007 302 V CB -0.998 30.827 31.823 0.003 0.000 0.638 302 V HN 0.613 nan 8.190 nan 0.000 0.445 303 N N 0.022 118.688 118.700 -0.056 0.000 2.494 303 N HA 0.072 4.816 4.740 0.007 0.000 0.182 303 N C 1.654 177.102 175.510 -0.104 0.000 1.076 303 N CA 0.799 53.805 53.050 -0.074 0.000 0.908 303 N CB -0.178 38.281 38.487 -0.046 0.000 0.967 303 N HN 0.477 nan 8.380 nan 0.000 0.449 304 A N 0.907 123.664 122.820 -0.106 0.000 1.902 304 A HA -0.096 4.228 4.320 0.007 0.000 0.217 304 A C 2.025 179.411 177.584 -0.329 0.000 1.181 304 A CA 0.968 52.922 52.037 -0.139 0.000 0.623 304 A CB -0.550 18.416 19.000 -0.057 0.000 0.818 304 A HN 0.208 nan 8.150 nan 0.000 0.443 305 I N -0.177 120.141 120.570 -0.421 0.000 2.163 305 I HA -0.215 3.959 4.170 0.007 0.000 0.243 305 I C 2.687 178.522 176.117 -0.469 0.000 1.085 305 I CA 1.264 62.149 61.300 -0.692 0.000 1.347 305 I CB -0.671 37.042 38.000 -0.478 0.000 1.044 305 I HN 0.374 nan 8.210 nan 0.000 0.408 306 G N 0.010 108.646 108.800 -0.274 0.000 2.408 306 G HA2 -0.261 3.703 3.960 0.007 0.000 0.217 306 G HA3 -0.261 3.703 3.960 0.007 0.000 0.217 306 G C 1.553 176.365 174.900 -0.147 0.000 1.150 306 G CA 0.725 45.719 45.100 -0.176 0.000 0.776 306 G HN 0.455 nan 8.290 nan 0.000 0.542 307 E N 0.514 120.625 120.200 -0.149 0.000 2.058 307 E HA -0.023 4.331 4.350 0.007 0.000 0.194 307 E C 2.026 178.572 176.600 -0.091 0.000 0.997 307 E CA 0.900 57.241 56.400 -0.099 0.000 0.801 307 E CB -0.183 29.470 29.700 -0.078 0.000 0.746 307 E HN 0.326 nan 8.360 nan 0.000 0.450 308 A N 0.751 123.478 122.820 -0.155 0.000 2.734 308 A HA 0.186 4.510 4.320 0.007 0.000 0.279 308 A C 1.196 178.745 177.584 -0.058 0.000 1.386 308 A CA -0.336 51.658 52.037 -0.071 0.000 0.987 308 A CB -0.225 18.791 19.000 0.026 0.000 1.041 308 A HN 0.168 nan 8.150 nan 0.000 0.569 309 R N 0.087 120.548 120.500 -0.064 0.000 2.103 309 R HA -0.140 4.205 4.340 0.007 0.000 0.242 309 R C 0.958 177.289 176.300 0.051 0.000 1.142 309 R CA 1.587 57.675 56.100 -0.020 0.000 0.960 309 R CB 0.082 30.371 30.300 -0.018 0.000 0.858 309 R HN 0.473 nan 8.270 nan 0.000 0.439 310 E N -0.251 119.980 120.200 0.052 0.000 2.474 310 E HA 0.115 4.469 4.350 0.007 0.000 0.194 310 E C 0.073 176.711 176.600 0.062 0.000 1.041 310 E CA 0.063 56.511 56.400 0.079 0.000 0.874 310 E CB 0.478 30.214 29.700 0.060 0.000 0.914 310 E HN 0.226 nan 8.360 nan 0.000 0.498 311 A N 1.550 124.397 122.820 0.044 0.000 2.407 311 A HA 0.058 4.382 4.320 0.007 0.000 0.248 311 A C 0.822 178.286 177.584 -0.200 0.000 1.082 311 A CA -0.283 51.753 52.037 -0.002 0.000 0.785 311 A CB 0.429 19.483 19.000 0.089 0.000 1.020 311 A HN -0.092 nan 8.150 nan 0.000 0.489 312 D N 0.250 120.485 120.400 -0.275 0.000 2.144 312 D HA 0.014 4.658 4.640 0.007 0.000 0.200 312 D C 0.492 176.536 176.300 -0.427 0.000 0.978 312 D CA 1.667 55.330 54.000 -0.561 0.000 0.833 312 D CB 0.148 40.839 40.800 -0.182 0.000 0.961 312 D HN 0.539 nan 8.370 nan 0.000 0.470 313 I N -1.579 118.847 120.570 -0.240 0.000 2.984 313 I HA 0.494 4.668 4.170 0.007 0.000 0.303 313 I C -1.256 174.609 176.117 -0.420 0.000 1.381 313 I CA -0.463 60.677 61.300 -0.267 0.000 0.988 313 I CB 2.265 40.153 38.000 -0.188 0.000 1.307 313 I HN 0.072 nan 8.210 nan 0.000 0.460 314 G N 4.493 112.771 108.800 -0.870 0.000 2.441 314 G HA2 0.478 4.442 3.960 0.007 0.000 0.294 314 G HA3 0.478 4.442 3.960 0.007 0.000 0.294 314 G C -2.407 171.809 174.900 -1.140 0.000 1.393 314 G CA -0.777 43.698 45.100 -1.041 0.000 0.796 314 G HN 0.570 nan 8.290 nan 0.000 0.494 315 L N 0.590 121.522 121.223 -0.485 0.000 2.333 315 L HA 0.708 5.052 4.340 0.007 0.000 0.280 315 L C 0.361 177.379 176.870 0.245 0.000 1.004 315 L CA -0.982 53.794 54.840 -0.105 0.000 0.820 315 L CB 2.161 44.183 42.059 -0.061 0.000 1.247 315 L HN 0.769 nan 8.230 nan 0.000 0.416 316 A N 3.026 126.098 122.820 0.419 0.000 2.341 316 A HA 0.520 4.845 4.320 0.007 0.000 0.326 316 A C -0.347 177.313 177.584 0.126 0.000 1.402 316 A CA -0.400 51.840 52.037 0.338 0.000 0.957 316 A CB 0.030 19.252 19.000 0.370 0.000 1.151 316 A HN 0.754 nan 8.150 nan 0.000 0.533 317 C N 2.290 121.599 119.300 0.015 0.000 2.388 317 C HA 0.777 5.242 4.460 0.007 0.000 0.362 317 C C 1.290 176.134 174.990 -0.243 0.000 1.266 317 C CA 0.060 59.004 59.018 -0.122 0.000 2.028 317 C CB 0.410 28.104 27.740 -0.075 0.000 2.440 317 C HN 0.983 nan 8.230 nan 0.000 0.547 318 G N 1.805 110.295 108.800 -0.517 0.000 3.175 318 G HA2 0.470 4.434 3.960 0.007 0.000 0.255 318 G HA3 0.470 4.434 3.960 0.007 0.000 0.255 318 G C 0.501 175.190 174.900 -0.351 0.000 1.352 318 G CA -0.515 44.245 45.100 -0.566 0.000 1.037 318 G HN 0.679 nan 8.290 nan 0.000 0.556 319 R N -1.276 119.122 120.500 -0.171 0.000 2.080 319 R HA -0.022 4.322 4.340 0.007 0.000 0.236 319 R C 1.916 178.222 176.300 0.009 0.000 1.137 319 R CA 2.096 58.182 56.100 -0.023 0.000 0.943 319 R CB -0.368 29.967 30.300 0.059 0.000 0.846 319 R HN 0.528 nan 8.270 nan 0.000 0.431 320 G N -1.296 107.571 108.800 0.111 0.000 3.596 320 G HA2 0.224 4.188 3.960 0.007 0.000 0.274 320 G HA3 0.224 4.188 3.960 0.007 0.000 0.274 320 G C -0.299 174.721 174.900 0.201 0.000 1.007 320 G CA -0.322 44.856 45.100 0.130 0.000 0.825 320 G HN 0.322 nan 8.290 nan 0.000 0.508 321 F N -1.631 118.303 119.950 -0.026 0.000 2.789 321 F HA 0.882 5.413 4.527 0.007 0.000 0.319 321 F C -0.855 174.925 175.800 -0.034 0.000 1.168 321 F CA -1.568 56.398 58.000 -0.056 0.000 0.934 321 F CB 1.266 40.208 39.000 -0.096 0.000 1.375 321 F HN 0.191 nan 8.300 nan 0.000 0.480 322 A N -0.088 122.715 122.820 -0.027 0.000 2.606 322 A HA 0.612 4.936 4.320 0.007 0.000 0.293 322 A C -2.603 175.044 177.584 0.104 0.000 1.082 322 A CA -0.683 51.311 52.037 -0.072 0.000 0.685 322 A CB 0.889 19.865 19.000 -0.041 0.000 1.284 322 A HN 0.853 nan 8.150 nan 0.000 0.408 323 W N 1.079 122.483 121.300 0.173 0.000 2.335 323 W HA 0.529 5.193 4.660 0.007 0.000 0.307 323 W C -0.138 176.481 176.519 0.168 0.000 1.117 323 W CA -0.155 57.320 57.345 0.216 0.000 1.228 323 W CB 1.721 31.333 29.460 0.255 0.000 1.240 323 W HN 0.581 nan 8.180 nan 0.000 0.468 324 L N 7.768 129.195 121.223 0.341 0.000 2.283 324 L HA 0.413 4.757 4.340 0.007 0.000 0.287 324 L C -0.582 176.439 176.870 0.252 0.000 1.073 324 L CA -0.353 54.569 54.840 0.136 0.000 0.822 324 L CB -0.863 41.226 42.059 0.050 0.000 1.186 324 L HN 0.276 nan 8.230 nan 0.000 0.436 325 F N 2.729 122.771 119.950 0.153 0.000 2.541 325 F HA 0.780 5.311 4.527 0.007 0.000 0.331 325 F C -0.458 175.370 175.800 0.046 0.000 1.057 325 F CA -1.199 56.862 58.000 0.102 0.000 0.975 325 F CB 1.184 40.219 39.000 0.057 0.000 1.246 325 F HN 0.414 nan 8.300 nan 0.000 0.484 326 K N 0.911 121.483 120.400 0.288 0.000 2.601 326 K HA 0.231 4.555 4.320 0.007 0.000 0.249 326 K C -0.968 175.780 176.600 0.246 0.000 0.966 326 K CA -0.649 55.734 56.287 0.161 0.000 0.827 326 K CB 0.356 32.948 32.500 0.153 0.000 1.178 326 K HN 0.884 nan 8.250 nan 0.000 0.437 327 H N 1.992 121.170 119.070 0.181 0.000 2.626 327 H HA -0.210 4.350 4.556 0.007 0.000 0.317 327 H C 0.656 176.034 175.328 0.083 0.000 1.140 327 H CA 1.412 57.530 56.048 0.117 0.000 1.134 327 H CB -1.084 28.718 29.762 0.068 0.000 1.486 327 H HN 1.156 nan 8.280 nan 0.000 0.417 328 G N 0.145 109.033 108.800 0.147 0.000 2.148 328 G HA2 -0.332 3.632 3.960 0.007 0.000 0.254 328 G HA3 -0.332 3.632 3.960 0.007 0.000 0.254 328 G C 0.212 175.107 174.900 -0.009 0.000 0.981 328 G CA 0.738 45.831 45.100 -0.011 0.000 0.670 328 G HN 0.665 nan 8.290 nan 0.000 0.528 329 K N 1.167 121.621 120.400 0.090 0.000 2.394 329 K HA 0.540 4.864 4.320 0.007 0.000 0.260 329 K C -2.543 174.124 176.600 0.111 0.000 0.967 329 K CA -2.399 53.923 56.287 0.057 0.000 0.855 329 K CB 2.341 34.885 32.500 0.075 0.000 1.101 329 K HN 0.006 nan 8.250 nan 0.000 0.433 330 P HA 0.054 nan 4.420 nan 0.000 0.271 330 P C -0.166 177.248 177.300 0.190 0.000 1.216 330 P CA 0.049 63.164 63.100 0.024 0.000 0.771 330 P CB 1.010 32.329 31.700 -0.635 0.000 0.864 331 I N 2.525 123.344 120.570 0.414 0.000 3.341 331 I HA 0.132 4.306 4.170 0.007 0.000 0.243 331 I C 0.903 177.293 176.117 0.455 0.000 1.094 331 I CA 0.644 62.149 61.300 0.342 0.000 1.507 331 I CB -0.157 37.971 38.000 0.213 0.000 1.441 331 I HN 0.303 nan 8.210 nan 0.000 0.465 332 K N 1.532 122.154 120.400 0.369 0.000 2.464 332 K HA 0.447 4.771 4.320 0.007 0.000 0.253 332 K C -0.939 175.434 176.600 -0.377 0.000 0.933 332 K CA -0.841 55.471 56.287 0.042 0.000 0.801 332 K CB 2.434 34.937 32.500 0.006 0.000 1.271 332 K HN -0.161 nan 8.250 nan 0.000 0.430 333 K N 2.694 122.572 120.400 -0.871 0.000 2.316 333 K HA 0.196 4.521 4.320 0.007 0.000 0.289 333 K C -1.009 175.355 176.600 -0.393 0.000 1.070 333 K CA -0.522 55.178 56.287 -0.978 0.000 0.928 333 K CB 0.756 32.610 32.500 -1.077 0.000 1.039 333 K HN 0.513 nan 8.250 nan 0.000 0.480 334 V N 3.435 123.217 119.914 -0.220 0.000 2.680 334 V HA 0.177 4.302 4.120 0.007 0.000 0.309 334 V C -0.245 175.841 176.094 -0.014 0.000 1.052 334 V CA -1.164 61.078 62.300 -0.096 0.000 0.908 334 V CB 1.800 33.586 31.823 -0.062 0.000 1.001 334 V HN 0.795 nan 8.190 nan 0.000 0.431 335 D N 1.289 121.683 120.400 -0.011 0.000 2.349 335 D HA 0.072 4.716 4.640 0.007 0.000 0.239 335 D C 1.297 177.609 176.300 0.021 0.000 1.315 335 D CA -0.070 53.946 54.000 0.025 0.000 0.937 335 D CB 0.522 41.323 40.800 0.002 0.000 1.133 335 D HN 0.667 nan 8.370 nan 0.000 0.489 336 E N -0.599 119.615 120.200 0.023 0.000 2.393 336 E HA -0.126 4.228 4.350 0.007 0.000 0.201 336 E C 0.341 176.936 176.600 -0.009 0.000 1.025 336 E CA 0.636 57.037 56.400 0.002 0.000 0.856 336 E CB -0.005 29.697 29.700 0.003 0.000 0.771 336 E HN 0.144 nan 8.360 nan 0.000 0.526 337 S N 1.523 117.218 115.700 -0.009 0.000 2.930 337 S HA -0.025 4.449 4.470 0.007 0.000 0.257 337 S C 1.183 175.771 174.600 -0.020 0.000 1.208 337 S CA -0.121 58.070 58.200 -0.014 0.000 1.233 337 S CB -0.240 62.952 63.200 -0.014 0.000 0.900 337 S HN 0.354 nan 8.310 nan 0.000 0.472 338 E N 0.699 120.886 120.200 -0.021 0.000 2.274 338 E HA -0.086 4.268 4.350 0.007 0.000 0.194 338 E C 1.611 178.192 176.600 -0.033 0.000 0.996 338 E CA 0.517 56.901 56.400 -0.027 0.000 0.840 338 E CB -0.147 29.537 29.700 -0.028 0.000 0.772 338 E HN 0.397 nan 8.360 nan 0.000 0.491 339 M N 1.895 121.476 119.600 -0.031 0.000 2.099 339 M HA -0.102 4.382 4.480 0.007 0.000 0.262 339 M C 2.594 178.876 176.300 -0.031 0.000 1.067 339 M CA 1.332 56.612 55.300 -0.033 0.000 1.124 339 M CB -0.449 32.134 32.600 -0.028 0.000 1.353 339 M HN 0.220 nan 8.290 nan 0.000 0.410 340 V N -2.422 117.476 119.914 -0.026 0.000 2.626 340 V HA -0.179 3.945 4.120 0.007 0.000 0.252 340 V C 1.577 177.657 176.094 -0.024 0.000 1.067 340 V CA 2.238 64.525 62.300 -0.023 0.000 1.081 340 V CB -1.198 30.614 31.823 -0.019 0.000 0.686 340 V HN 0.273 nan 8.190 nan 0.000 0.468 341 D N -0.352 120.032 120.400 -0.026 0.000 2.323 341 D HA -0.055 4.589 4.640 0.007 0.000 0.209 341 D C 2.181 178.462 176.300 -0.031 0.000 0.973 341 D CA 0.532 54.516 54.000 -0.026 0.000 0.874 341 D CB 0.021 40.805 40.800 -0.027 0.000 0.930 341 D HN 0.473 nan 8.370 nan 0.000 0.521 342 E N -0.145 120.030 120.200 -0.041 0.000 2.170 342 E HA -0.075 4.279 4.350 0.007 0.000 0.191 342 E C 1.897 178.467 176.600 -0.050 0.000 0.981 342 E CA 0.167 56.533 56.400 -0.056 0.000 0.830 342 E CB 0.123 29.780 29.700 -0.072 0.000 0.775 342 E HN 0.289 nan 8.360 nan 0.000 0.470 343 L N 0.687 121.887 121.223 -0.039 0.000 2.109 343 L HA -0.054 4.290 4.340 0.007 0.000 0.207 343 L C 2.172 179.027 176.870 -0.025 0.000 1.086 343 L CA 1.222 56.042 54.840 -0.032 0.000 0.760 343 L CB -0.454 41.589 42.059 -0.027 0.000 0.910 343 L HN 0.074 nan 8.230 nan 0.000 0.437 344 L N -0.296 120.913 121.223 -0.022 0.000 2.046 344 L HA -0.215 4.129 4.340 0.007 0.000 0.208 344 L C 2.608 179.471 176.870 -0.012 0.000 1.077 344 L CA 1.570 56.400 54.840 -0.015 0.000 0.747 344 L CB -0.575 41.476 42.059 -0.013 0.000 0.896 344 L HN 0.261 nan 8.230 nan 0.000 0.432 345 K N 0.580 120.971 120.400 -0.015 0.000 2.147 345 K HA -0.178 4.146 4.320 0.007 0.000 0.205 345 K C 1.853 178.447 176.600 -0.010 0.000 1.049 345 K CA 1.447 57.728 56.287 -0.010 0.000 0.936 345 K CB -0.050 32.443 32.500 -0.013 0.000 0.722 345 K HN 0.307 nan 8.250 nan 0.000 0.446 346 E N -0.229 119.959 120.200 -0.021 0.000 2.150 346 E HA -0.111 4.243 4.350 0.007 0.000 0.193 346 E C 1.950 178.544 176.600 -0.011 0.000 0.985 346 E CA 1.189 57.577 56.400 -0.020 0.000 0.814 346 E CB -0.110 29.572 29.700 -0.031 0.000 0.752 346 E HN 0.326 nan 8.360 nan 0.000 0.466 347 I N 0.860 121.423 120.570 -0.011 0.000 2.226 347 I HA -0.272 3.902 4.170 0.007 0.000 0.245 347 I C 2.170 178.287 176.117 -0.001 0.000 1.100 347 I CA 1.117 62.413 61.300 -0.007 0.000 1.374 347 I CB -0.064 37.931 38.000 -0.008 0.000 1.057 347 I HN 0.016 nan 8.210 nan 0.000 0.413 348 Q N 0.410 120.211 119.800 0.001 0.000 2.369 348 Q HA -0.106 4.238 4.340 0.007 0.000 0.206 348 Q C 1.755 177.763 176.000 0.012 0.000 0.963 348 Q CA 0.906 56.714 55.803 0.007 0.000 0.894 348 Q CB -0.175 28.568 28.738 0.009 0.000 0.965 348 Q HN 0.375 nan 8.270 nan 0.000 0.475 349 N N -0.770 117.937 118.700 0.011 0.000 2.396 349 N HA -0.022 4.722 4.740 0.007 0.000 0.180 349 N C 1.099 176.619 175.510 0.017 0.000 1.028 349 N CA 0.780 53.841 53.050 0.019 0.000 0.893 349 N CB 0.049 38.547 38.487 0.019 0.000 0.967 349 N HN 0.327 nan 8.380 nan 0.000 0.440 350 M N 0.251 119.857 119.600 0.009 0.000 2.229 350 M HA -0.109 4.376 4.480 0.007 0.000 0.264 350 M C 0.529 176.835 176.300 0.011 0.000 1.063 350 M CA 0.939 56.243 55.300 0.008 0.000 1.114 350 M CB -0.152 32.450 32.600 0.002 0.000 1.387 350 M HN 0.118 nan 8.290 nan 0.000 0.420 351 E N 0.000 120.207 120.200 0.011 0.000 2.725 351 E HA 0.000 4.354 4.350 0.007 0.000 0.291 351 E CA 0.000 56.407 56.400 0.012 0.000 0.976 351 E CB 0.000 29.706 29.700 0.011 0.000 0.812 351 E HN 0.000 nan 8.360 nan 0.000 0.440