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 2wv7_1_D DATA FIRST_RESID 3 DATA SEQUENCE KFRLIPYKQV DKVSALSEVP MGVEIVEAPA VWRASAKGAG QIIGVIDTGC DATA SEQUENCE QVDHPDLAER IIGGVNLTTD YGGDETNFSD NNGHGTHVAG TVAAAETGSG DATA SEQUENCE VVGVAPKADL FIIKALSGDG SGEMGWIAKA IRYAVDWRGP KGEQMRIITM DATA SEQUENCE SLGGPTDSEE LHDAVKYAVS NNVSVVCAAG NXXXXXXXXN EFAYPAAYNE DATA SEQUENCE VIAVGAVDFD LRLXXXXXXX XEIDIVAPGV GIKSTYLDSG YAELSGTAMA DATA SEQUENCE APHVAGALAL IINLAEDAFK RSLSETEIYA QLVRRATPIG FTAQAEGNGF DATA SEQUENCE LTLDLVERIT GQFT 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.616 176.600 0.027 0.000 0.988 3 K CA 0.000 56.303 56.287 0.026 0.000 0.838 3 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 4 F N 3.105 123.024 119.950 -0.051 0.000 2.410 4 F HA 0.403 4.930 4.527 -0.001 0.000 0.348 4 F C 0.995 176.826 175.800 0.052 0.000 1.106 4 F CA -0.206 57.799 58.000 0.008 0.000 1.163 4 F CB 0.888 39.914 39.000 0.042 0.000 1.129 4 F HN 0.341 nan 8.300 nan 0.000 0.516 5 R N 2.276 122.910 120.500 0.223 0.000 2.795 5 R HA 0.628 4.967 4.340 -0.001 0.000 0.275 5 R C -1.495 174.962 176.300 0.260 0.000 0.981 5 R CA -1.298 54.938 56.100 0.226 0.000 0.917 5 R CB 0.839 31.246 30.300 0.179 0.000 1.202 5 R HN 0.270 nan 8.270 nan 0.000 0.469 6 L N 2.348 123.661 121.223 0.149 0.000 2.811 6 L HA -0.106 4.234 4.340 -0.001 0.000 0.304 6 L C 0.244 177.127 176.870 0.022 0.000 1.227 6 L CA 0.669 55.529 54.840 0.034 0.000 0.880 6 L CB -0.723 41.335 42.059 -0.001 0.000 1.169 6 L HN 0.637 nan 8.230 nan 0.000 0.498 7 I N 6.160 126.646 120.570 -0.140 0.000 2.648 7 I HA 0.051 4.220 4.170 -0.001 0.000 0.284 7 I C -1.647 174.317 176.117 -0.254 0.000 1.153 7 I CA -1.444 59.584 61.300 -0.452 0.000 1.426 7 I CB 0.240 38.031 38.000 -0.348 0.000 1.381 7 I HN 0.550 nan 8.210 nan 0.000 0.571 8 P HA 0.058 nan 4.420 nan 0.000 0.266 8 P C -1.507 175.764 177.300 -0.048 0.000 1.195 8 P CA 0.343 63.324 63.100 -0.198 0.000 0.768 8 P CB 0.198 31.772 31.700 -0.210 0.000 0.838 9 Y N -1.160 119.079 120.300 -0.103 0.000 2.521 9 Y HA 0.503 5.052 4.550 -0.001 0.000 0.332 9 Y C -1.086 174.785 175.900 -0.048 0.000 1.121 9 Y CA -1.409 56.648 58.100 -0.071 0.000 1.037 9 Y CB 1.268 39.697 38.460 -0.051 0.000 1.330 9 Y HN 0.100 nan 8.280 nan 0.000 0.452 10 K N 3.117 123.557 120.400 0.068 0.000 2.201 10 K HA 0.202 4.521 4.320 -0.001 0.000 0.278 10 K C -0.598 176.072 176.600 0.116 0.000 1.027 10 K CA -0.918 55.377 56.287 0.014 0.000 0.909 10 K CB 1.455 33.958 32.500 0.004 0.000 1.062 10 K HN 0.680 nan 8.250 nan 0.000 0.465 11 Q N 3.520 123.359 119.800 0.065 0.000 2.369 11 Q HA 0.058 4.398 4.340 -0.001 0.000 0.247 11 Q C 0.438 176.447 176.000 0.016 0.000 1.083 11 Q CA -0.018 55.823 55.803 0.064 0.000 0.905 11 Q CB 1.017 29.784 28.738 0.049 0.000 1.305 11 Q HN 0.533 nan 8.270 nan 0.000 0.465 12 V N 2.940 122.863 119.914 0.015 0.000 2.446 12 V HA -0.007 4.112 4.120 -0.001 0.000 0.244 12 V C 0.616 176.715 176.094 0.008 0.000 1.039 12 V CA 1.252 63.562 62.300 0.016 0.000 1.045 12 V CB 0.063 31.905 31.823 0.032 0.000 0.681 12 V HN 0.645 nan 8.190 nan 0.000 0.459 13 D N -1.396 119.001 120.400 -0.006 0.000 2.609 13 D HA 0.398 5.038 4.640 -0.001 0.000 0.239 13 D C -1.183 175.092 176.300 -0.042 0.000 1.229 13 D CA -0.602 53.395 54.000 -0.005 0.000 0.808 13 D CB 2.000 42.815 40.800 0.025 0.000 1.448 13 D HN -0.010 nan 8.370 nan 0.000 0.433 14 K N 1.480 121.870 120.400 -0.017 0.000 2.616 14 K HA 0.485 4.805 4.320 -0.001 0.000 0.241 14 K C -1.117 175.518 176.600 0.058 0.000 0.961 14 K CA -0.627 55.653 56.287 -0.012 0.000 0.942 14 K CB 1.652 34.145 32.500 -0.011 0.000 1.153 14 K HN 0.162 nan 8.250 nan 0.000 0.452 15 V N 1.004 120.986 119.914 0.113 0.000 2.547 15 V HA 0.226 4.345 4.120 -0.001 0.000 0.299 15 V C 1.056 177.280 176.094 0.217 0.000 1.040 15 V CA -0.667 61.722 62.300 0.150 0.000 0.913 15 V CB 1.721 33.632 31.823 0.147 0.000 0.992 15 V HN 0.686 nan 8.190 nan 0.000 0.449 16 S N 1.899 117.699 115.700 0.166 0.000 2.355 16 S HA 0.172 4.641 4.470 -0.001 0.000 0.222 16 S C 0.823 175.581 174.600 0.264 0.000 1.031 16 S CA 1.118 59.400 58.200 0.137 0.000 0.993 16 S CB -0.019 63.231 63.200 0.084 0.000 0.859 16 S HN 1.180 nan 8.310 nan 0.000 0.453 17 A N 0.606 123.615 122.820 0.314 0.000 2.398 17 A HA 0.780 5.100 4.320 -0.001 0.000 0.301 17 A C -0.802 176.870 177.584 0.146 0.000 1.041 17 A CA -0.625 51.630 52.037 0.363 0.000 0.711 17 A CB 1.094 20.206 19.000 0.187 0.000 1.240 17 A HN 0.281 nan 8.150 nan 0.000 0.420 18 L N 0.503 121.635 121.223 -0.151 0.000 2.230 18 L HA 0.843 5.183 4.340 -0.001 0.000 0.255 18 L C 0.224 176.958 176.870 -0.227 0.000 1.039 18 L CA -0.777 53.892 54.840 -0.285 0.000 0.846 18 L CB 2.411 44.160 42.059 -0.516 0.000 1.419 18 L HN 0.652 nan 8.230 nan 0.000 0.435 19 S N 0.502 116.105 115.700 -0.161 0.000 2.548 19 S HA 0.309 4.779 4.470 -0.001 0.000 0.168 19 S C -1.456 173.103 174.600 -0.069 0.000 1.068 19 S CA -0.585 57.559 58.200 -0.092 0.000 1.129 19 S CB 0.119 63.296 63.200 -0.039 0.000 1.435 19 S HN 0.690 nan 8.310 nan 0.000 0.410 20 E N 0.416 120.572 120.200 -0.075 0.000 2.429 20 E HA 0.524 4.873 4.350 -0.001 0.000 0.280 20 E C -1.566 175.028 176.600 -0.011 0.000 1.068 20 E CA -1.187 55.188 56.400 -0.041 0.000 0.837 20 E CB 1.018 30.685 29.700 -0.056 0.000 1.357 20 E HN 0.122 nan 8.360 nan 0.000 0.455 21 V N 2.027 121.952 119.914 0.019 0.000 2.288 21 V HA 0.292 4.411 4.120 -0.001 0.000 0.266 21 V C -2.150 173.959 176.094 0.025 0.000 1.048 21 V CA -1.563 60.773 62.300 0.061 0.000 0.842 21 V CB 0.132 32.025 31.823 0.116 0.000 1.064 21 V HN 0.585 nan 8.190 nan 0.000 0.472 22 P HA -0.040 nan 4.420 nan 0.000 0.266 22 P C 1.003 178.306 177.300 0.006 0.000 1.180 22 P CA 0.304 63.420 63.100 0.027 0.000 0.765 22 P CB 0.576 32.330 31.700 0.089 0.000 0.806 23 M N 2.903 122.444 119.600 -0.098 0.000 2.108 23 M HA -0.136 4.344 4.480 -0.001 0.000 0.261 23 M C 2.027 178.311 176.300 -0.026 0.000 1.066 23 M CA 2.655 57.791 55.300 -0.273 0.000 1.107 23 M CB -1.076 30.986 32.600 -0.896 0.000 1.356 23 M HN 0.542 nan 8.290 nan 0.000 0.406 24 G N -0.840 108.133 108.800 0.289 0.000 2.503 24 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.221 24 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.221 24 G C 1.360 176.353 174.900 0.155 0.000 1.131 24 G CA 1.333 46.619 45.100 0.311 0.000 0.756 24 G HN 0.423 nan 8.290 nan 0.000 0.572 25 V N 1.427 121.441 119.914 0.166 0.000 2.407 25 V HA -0.097 4.022 4.120 -0.001 0.000 0.245 25 V C 2.797 178.890 176.094 -0.002 0.000 1.041 25 V CA 2.217 64.590 62.300 0.121 0.000 1.040 25 V CB -0.087 31.830 31.823 0.156 0.000 0.671 25 V HN 0.792 nan 8.190 nan 0.000 0.455 26 E N 0.224 120.408 120.200 -0.026 0.000 2.112 26 E HA -0.189 4.161 4.350 -0.001 0.000 0.190 26 E C 2.254 178.830 176.600 -0.040 0.000 0.979 26 E CA 1.427 57.775 56.400 -0.087 0.000 0.814 26 E CB -0.324 29.316 29.700 -0.100 0.000 0.762 26 E HN 0.573 nan 8.360 nan 0.000 0.460 27 I N 0.943 121.530 120.570 0.029 0.000 2.614 27 I HA -0.140 4.030 4.170 -0.001 0.000 0.258 27 I C 1.981 178.226 176.117 0.212 0.000 1.189 27 I CA 0.495 61.864 61.300 0.114 0.000 1.462 27 I CB 0.285 38.395 38.000 0.182 0.000 1.092 27 I HN 0.057 nan 8.210 nan 0.000 0.442 28 V N 1.087 121.076 119.914 0.125 0.000 3.573 28 V HA -0.042 4.078 4.120 -0.001 0.000 0.270 28 V C 0.877 176.948 176.094 -0.037 0.000 1.221 28 V CA 1.142 63.451 62.300 0.015 0.000 1.163 28 V CB -0.793 30.983 31.823 -0.078 0.000 0.847 28 V HN 0.611 nan 8.190 nan 0.000 0.468 29 E N -1.820 118.347 120.200 -0.056 0.000 3.547 29 E HA -0.302 4.047 4.350 -0.001 0.000 0.309 29 E C 1.394 177.858 176.600 -0.226 0.000 0.855 29 E CA 0.514 56.843 56.400 -0.117 0.000 1.122 29 E CB -1.848 27.814 29.700 -0.063 0.000 1.569 29 E HN 0.640 nan 8.360 nan 0.000 0.429 30 A N 0.428 123.081 122.820 -0.278 0.000 1.927 30 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 30 A C -0.341 176.652 177.584 -0.986 0.000 1.185 30 A CA 2.108 53.883 52.037 -0.436 0.000 0.639 30 A CB -0.992 17.845 19.000 -0.271 0.000 0.820 30 A HN 0.266 nan 8.150 nan 0.000 0.451 31 P HA -0.013 nan 4.420 nan 0.000 0.219 31 P C 1.477 178.506 177.300 -0.451 0.000 1.150 31 P CA 1.513 63.854 63.100 -1.264 0.000 0.814 31 P CB -0.148 30.999 31.700 -0.922 0.000 0.787 32 A N -1.037 121.600 122.820 -0.306 0.000 2.285 32 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 32 A C 1.884 179.421 177.584 -0.078 0.000 1.188 32 A CA 1.578 53.531 52.037 -0.141 0.000 0.707 32 A CB -1.123 17.811 19.000 -0.109 0.000 0.771 32 A HN 0.195 nan 8.150 nan 0.000 0.488 33 V N -3.557 116.303 119.914 -0.091 0.000 3.356 33 V HA 0.019 4.139 4.120 -0.001 0.000 0.274 33 V C 1.429 177.608 176.094 0.142 0.000 1.631 33 V CA -0.496 61.809 62.300 0.008 0.000 1.025 33 V CB -0.382 31.431 31.823 -0.017 0.000 0.840 33 V HN 0.672 nan 8.190 nan 0.000 0.419 34 W N 1.548 122.857 121.300 0.015 0.000 2.290 34 W HA -0.252 4.407 4.660 -0.001 0.000 0.328 34 W C 2.487 179.015 176.519 0.014 0.000 1.272 34 W CA 2.339 59.693 57.345 0.015 0.000 1.262 34 W CB -0.995 28.473 29.460 0.014 0.000 1.151 34 W HN 0.265 nan 8.180 nan 0.000 0.473 35 R N 0.356 121.015 120.500 0.264 0.000 2.103 35 R HA -0.188 4.152 4.340 -0.001 0.000 0.234 35 R C 2.279 178.642 176.300 0.105 0.000 1.132 35 R CA 2.681 58.867 56.100 0.143 0.000 0.925 35 R CB -0.990 29.375 30.300 0.108 0.000 0.842 35 R HN 0.021 nan 8.270 nan 0.000 0.430 36 A N -0.156 122.720 122.820 0.093 0.000 2.178 36 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 36 A C 1.885 179.516 177.584 0.077 0.000 1.157 36 A CA 1.726 53.805 52.037 0.070 0.000 0.689 36 A CB -0.334 18.698 19.000 0.054 0.000 0.787 36 A HN 0.630 nan 8.150 nan 0.000 0.465 37 S N -2.860 112.904 115.700 0.105 0.000 2.539 37 S HA 0.497 4.967 4.470 -0.001 0.000 0.221 37 S C 0.985 175.639 174.600 0.089 0.000 0.987 37 S CA 1.044 59.307 58.200 0.104 0.000 0.929 37 S CB 0.036 63.318 63.200 0.137 0.000 0.832 37 S HN 1.948 nan 8.310 nan 0.000 0.492 38 A N 1.837 124.703 122.820 0.077 0.000 2.860 38 A HA -0.256 4.063 4.320 -0.001 0.000 0.267 38 A C 0.958 178.542 177.584 -0.001 0.000 1.421 38 A CA 1.158 53.216 52.037 0.036 0.000 0.831 38 A CB -2.743 16.273 19.000 0.027 0.000 1.041 38 A HN 0.727 nan 8.150 nan 0.000 0.623 39 K N -3.524 116.883 120.400 0.012 0.000 3.020 39 K HA -0.188 4.131 4.320 -0.001 0.000 0.266 39 K C 1.383 177.967 176.600 -0.027 0.000 1.067 39 K CA 1.339 57.568 56.287 -0.097 0.000 0.780 39 K CB -2.184 30.087 32.500 -0.381 0.000 1.220 39 K HN 2.416 nan 8.250 nan 0.000 0.483 40 G N -1.068 107.755 108.800 0.038 0.000 2.162 40 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.260 40 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.260 40 G C 0.356 175.269 174.900 0.020 0.000 0.976 40 G CA 0.442 45.566 45.100 0.041 0.000 0.655 40 G HN 0.987 nan 8.290 nan 0.000 0.533 41 A N -0.699 122.123 122.820 0.003 0.000 2.586 41 A HA 0.564 4.884 4.320 -0.001 0.000 0.231 41 A C 2.203 179.800 177.584 0.021 0.000 1.055 41 A CA 2.344 54.384 52.037 0.005 0.000 0.756 41 A CB -0.146 18.851 19.000 -0.005 0.000 0.988 41 A HN 2.452 nan 8.150 nan 0.000 0.509 42 G N 0.026 108.842 108.800 0.027 0.000 2.268 42 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.240 42 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.240 42 G C 0.222 175.148 174.900 0.043 0.000 1.010 42 G CA 0.454 45.575 45.100 0.034 0.000 0.618 42 G HN 0.919 nan 8.290 nan 0.000 0.516 43 Q N 0.226 120.051 119.800 0.042 0.000 2.230 43 Q HA 0.734 5.074 4.340 -0.001 0.000 0.253 43 Q C 0.001 176.031 176.000 0.051 0.000 0.919 43 Q CA -0.233 55.597 55.803 0.046 0.000 0.908 43 Q CB 1.813 30.576 28.738 0.041 0.000 1.245 43 Q HN 0.539 nan 8.270 nan 0.000 0.437 44 I N 2.401 123.005 120.570 0.056 0.000 2.433 44 I HA 0.339 4.509 4.170 -0.001 0.000 0.292 44 I C -0.509 175.623 176.117 0.026 0.000 1.001 44 I CA -0.812 60.516 61.300 0.048 0.000 1.119 44 I CB 1.427 39.467 38.000 0.068 0.000 1.289 44 I HN 0.375 nan 8.210 nan 0.000 0.438 45 I N 5.043 125.624 120.570 0.018 0.000 2.321 45 I HA 0.355 4.525 4.170 -0.001 0.000 0.291 45 I C 0.857 176.980 176.117 0.010 0.000 0.998 45 I CA 0.006 61.314 61.300 0.013 0.000 1.227 45 I CB 1.348 39.355 38.000 0.011 0.000 1.368 45 I HN 0.635 nan 8.210 nan 0.000 0.466 46 G N 6.451 115.257 108.800 0.009 0.000 2.444 46 G HA2 0.404 4.363 3.960 -0.001 0.000 0.303 46 G HA3 0.404 4.363 3.960 -0.001 0.000 0.303 46 G C -0.140 174.777 174.900 0.028 0.000 1.032 46 G CA -0.330 44.790 45.100 0.032 0.000 1.137 46 G HN 0.409 nan 8.290 nan 0.000 0.430 47 V N 4.970 124.888 119.914 0.006 0.000 2.387 47 V HA 0.153 4.272 4.120 -0.001 0.000 0.260 47 V C 0.535 176.630 176.094 0.002 0.000 1.054 47 V CA -0.172 62.125 62.300 -0.005 0.000 0.967 47 V CB 0.384 32.185 31.823 -0.038 0.000 1.036 47 V HN 0.558 nan 8.190 nan 0.000 0.481 48 I N 5.395 125.986 120.570 0.035 0.000 2.287 48 I HA 0.455 4.624 4.170 -0.001 0.000 0.290 48 I C 0.286 176.448 176.117 0.076 0.000 1.069 48 I CA 0.401 61.730 61.300 0.049 0.000 1.237 48 I CB 0.349 38.390 38.000 0.068 0.000 1.418 48 I HN 0.697 nan 8.210 nan 0.000 0.481 49 D N 2.392 122.833 120.400 0.068 0.000 3.831 49 D HA 0.122 4.762 4.640 -0.001 0.000 0.327 49 D C 0.514 176.872 176.300 0.098 0.000 1.505 49 D CA -0.037 54.031 54.000 0.114 0.000 0.976 49 D CB 1.572 42.448 40.800 0.127 0.000 1.421 49 D HN 0.360 nan 8.370 nan 0.000 0.624 50 T N -0.890 113.734 114.554 0.118 0.000 3.163 50 T HA 0.520 4.869 4.350 -0.001 0.000 0.252 50 T C 0.922 175.671 174.700 0.082 0.000 1.056 50 T CA 0.798 62.960 62.100 0.102 0.000 0.947 50 T CB 0.153 69.098 68.868 0.129 0.000 1.016 50 T HN 0.818 nan 8.240 nan 0.000 0.554 51 G N -0.349 108.490 108.800 0.066 0.000 2.631 51 G HA2 0.001 3.960 3.960 -0.001 0.000 0.504 51 G HA3 0.001 3.960 3.960 -0.001 0.000 0.504 51 G C -0.619 174.314 174.900 0.055 0.000 1.306 51 G CA -0.632 44.520 45.100 0.086 0.000 0.897 51 G HN 0.793 nan 8.290 nan 0.000 0.520 52 C N -0.466 118.884 119.300 0.085 0.000 2.802 52 C HA 0.755 5.215 4.460 -0.001 0.000 0.307 52 C C 0.436 175.435 174.990 0.015 0.000 1.222 52 C CA -0.383 58.654 59.018 0.032 0.000 1.580 52 C CB 1.621 29.379 27.740 0.030 0.000 2.119 52 C HN 0.924 nan 8.230 nan 0.000 0.479 53 Q N 2.706 122.496 119.800 -0.018 0.000 2.300 53 Q HA 0.154 4.493 4.340 -0.001 0.000 0.262 53 Q C 0.663 176.669 176.000 0.010 0.000 1.109 53 Q CA 0.085 55.879 55.803 -0.015 0.000 0.905 53 Q CB 1.077 29.820 28.738 0.008 0.000 1.280 53 Q HN 0.796 nan 8.270 nan 0.000 0.426 54 V N 3.529 123.432 119.914 -0.019 0.000 2.490 54 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 54 V C 1.243 177.340 176.094 0.004 0.000 1.061 54 V CA 2.305 64.600 62.300 -0.007 0.000 1.064 54 V CB -0.201 31.562 31.823 -0.099 0.000 0.670 54 V HN 0.830 nan 8.190 nan 0.000 0.461 55 D N -2.264 118.131 120.400 -0.008 0.000 2.559 55 D HA -0.007 4.632 4.640 -0.001 0.000 0.234 55 D C 0.558 176.861 176.300 0.005 0.000 1.226 55 D CA -0.453 53.541 54.000 -0.010 0.000 0.830 55 D CB -0.549 40.223 40.800 -0.046 0.000 1.028 55 D HN 0.409 nan 8.370 nan 0.000 0.492 56 H N 2.148 121.189 119.070 -0.048 0.000 2.899 56 H HA 0.097 4.652 4.556 -0.001 0.000 0.303 56 H C -1.524 173.790 175.328 -0.023 0.000 1.042 56 H CA -1.147 54.872 56.048 -0.050 0.000 1.479 56 H CB 1.672 31.399 29.762 -0.057 0.000 1.493 56 H HN -0.139 nan 8.280 nan 0.000 0.534 57 P HA -0.161 nan 4.420 nan 0.000 0.218 57 P C 0.579 177.980 177.300 0.170 0.000 1.147 57 P CA 1.344 64.475 63.100 0.051 0.000 0.827 57 P CB 0.388 32.079 31.700 -0.015 0.000 0.778 58 D N -2.198 118.438 120.400 0.394 0.000 2.349 58 D HA 0.155 4.794 4.640 -0.001 0.000 0.214 58 D C 1.586 177.948 176.300 0.104 0.000 1.063 58 D CA 0.426 54.570 54.000 0.239 0.000 0.847 58 D CB 0.462 41.427 40.800 0.274 0.000 0.933 58 D HN 0.256 nan 8.370 nan 0.000 0.513 59 L N -0.213 121.082 121.223 0.119 0.000 2.730 59 L HA 0.249 4.589 4.340 -0.001 0.000 0.236 59 L C 2.400 179.294 176.870 0.039 0.000 1.061 59 L CA 0.218 55.077 54.840 0.031 0.000 0.898 59 L CB -0.171 41.879 42.059 -0.014 0.000 1.270 59 L HN -0.166 nan 8.230 nan 0.000 0.500 60 A N 1.925 124.782 122.820 0.060 0.000 1.894 60 A HA -0.327 3.993 4.320 -0.001 0.000 0.220 60 A C 2.112 179.714 177.584 0.029 0.000 1.237 60 A CA 2.709 54.770 52.037 0.039 0.000 0.660 60 A CB -0.813 18.206 19.000 0.031 0.000 0.835 60 A HN 0.650 nan 8.150 nan 0.000 0.461 61 E N -1.259 118.957 120.200 0.026 0.000 2.204 61 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 61 E C 1.660 178.269 176.600 0.015 0.000 0.989 61 E CA 0.943 57.354 56.400 0.018 0.000 0.824 61 E CB -0.171 29.536 29.700 0.012 0.000 0.756 61 E HN 0.507 nan 8.360 nan 0.000 0.477 62 R N 0.356 120.862 120.500 0.010 0.000 2.317 62 R HA 0.273 4.612 4.340 -0.001 0.000 0.208 62 R C 0.339 176.644 176.300 0.007 0.000 0.914 62 R CA 0.042 56.144 56.100 0.003 0.000 1.060 62 R CB 0.076 30.369 30.300 -0.011 0.000 1.015 62 R HN 0.263 nan 8.270 nan 0.000 0.498 63 I N 1.899 122.477 120.570 0.013 0.000 2.365 63 I HA 0.086 4.255 4.170 -0.001 0.000 0.291 63 I C 1.666 177.802 176.117 0.031 0.000 1.004 63 I CA -0.078 61.224 61.300 0.003 0.000 1.311 63 I CB 1.246 39.254 38.000 0.015 0.000 1.401 63 I HN 0.004 nan 8.210 nan 0.000 0.491 64 I N 2.568 123.159 120.570 0.034 0.000 4.018 64 I HA 0.643 4.812 4.170 -0.001 0.000 0.337 64 I C 0.666 176.860 176.117 0.128 0.000 1.327 64 I CA -0.082 61.284 61.300 0.110 0.000 1.100 64 I CB 0.181 38.290 38.000 0.182 0.000 1.025 64 I HN 0.636 nan 8.210 nan 0.000 0.396 65 G N -0.117 108.642 108.800 -0.067 0.000 2.369 65 G HA2 0.450 4.409 3.960 -0.001 0.000 0.293 65 G HA3 0.450 4.409 3.960 -0.001 0.000 0.293 65 G C -0.853 173.284 174.900 -1.272 0.000 1.301 65 G CA -0.292 44.672 45.100 -0.227 0.000 0.913 65 G HN 0.620 nan 8.290 nan 0.000 0.540 66 G N -2.419 105.357 108.800 -1.706 0.000 2.494 66 G HA2 0.824 4.783 3.960 -0.001 0.000 0.308 66 G HA3 0.824 4.783 3.960 -0.001 0.000 0.308 66 G C -1.695 172.439 174.900 -1.277 0.000 1.263 66 G CA 0.625 44.153 45.100 -2.620 0.000 0.840 66 G HN 2.051 nan 8.290 nan 0.000 0.479 67 V N 0.012 119.367 119.914 -0.931 0.000 2.966 67 V HA 0.621 4.741 4.120 -0.001 0.000 0.288 67 V C -1.787 174.212 176.094 -0.158 0.000 1.380 67 V CA -0.924 61.198 62.300 -0.298 0.000 0.966 67 V CB 2.127 33.639 31.823 -0.518 0.000 1.115 67 V HN 1.001 nan 8.190 nan 0.000 0.436 68 N N 5.288 123.975 118.700 -0.021 0.000 2.426 68 N HA 0.473 5.213 4.740 -0.001 0.000 0.257 68 N C 0.077 175.471 175.510 -0.193 0.000 1.002 68 N CA -0.238 52.775 53.050 -0.062 0.000 0.942 68 N CB 1.199 39.702 38.487 0.026 0.000 1.112 68 N HN 0.708 nan 8.380 nan 0.000 0.499 69 L N 1.643 122.693 121.223 -0.288 0.000 2.808 69 L HA 0.227 4.566 4.340 -0.001 0.000 0.246 69 L C 0.373 176.781 176.870 -0.770 0.000 1.153 69 L CA 0.032 54.643 54.840 -0.382 0.000 0.956 69 L CB 0.144 42.035 42.059 -0.280 0.000 1.270 69 L HN 0.446 nan 8.230 nan 0.000 0.528 70 T N -1.139 112.935 114.554 -0.800 0.000 2.810 70 T HA 0.076 4.425 4.350 -0.001 0.000 0.277 70 T C 1.420 175.630 174.700 -0.817 0.000 0.973 70 T CA 0.070 61.404 62.100 -1.276 0.000 0.949 70 T CB 1.343 69.791 68.868 -0.699 0.000 1.075 70 T HN 0.202 nan 8.240 nan 0.000 0.537 71 T N -1.938 112.243 114.554 -0.623 0.000 3.081 71 T HA 0.110 4.460 4.350 -0.001 0.000 0.250 71 T C 0.209 174.803 174.700 -0.176 0.000 1.100 71 T CA -0.299 61.680 62.100 -0.202 0.000 1.038 71 T CB -0.268 68.622 68.868 0.037 0.000 0.962 71 T HN 0.322 nan 8.240 nan 0.000 0.516 72 D N 2.461 122.687 120.400 -0.290 0.000 2.488 72 D HA 0.122 4.762 4.640 -0.001 0.000 0.238 72 D C -0.187 175.861 176.300 -0.421 0.000 1.138 72 D CA 0.400 54.122 54.000 -0.463 0.000 0.873 72 D CB -0.204 40.145 40.800 -0.751 0.000 1.183 72 D HN 0.505 nan 8.370 nan 0.000 0.458 73 Y N 0.142 120.418 120.300 -0.040 0.000 3.001 73 Y HA -0.144 4.406 4.550 -0.001 0.000 0.187 73 Y C 1.430 177.304 175.900 -0.044 0.000 1.462 73 Y CA 0.328 58.403 58.100 -0.043 0.000 0.936 73 Y CB -1.945 36.480 38.460 -0.058 0.000 1.337 73 Y HN 0.714 nan 8.280 nan 0.000 0.428 74 G N -1.261 107.574 108.800 0.058 0.000 3.405 74 G HA2 0.085 4.044 3.960 -0.001 0.000 0.246 74 G HA3 0.085 4.044 3.960 -0.001 0.000 0.246 74 G C 0.378 175.279 174.900 0.003 0.000 1.852 74 G CA -0.231 44.889 45.100 0.033 0.000 1.510 74 G HN 1.485 nan 8.290 nan 0.000 0.570 75 G N 0.661 109.450 108.800 -0.018 0.000 2.417 75 G HA2 0.507 4.467 3.960 -0.001 0.000 0.320 75 G HA3 0.507 4.467 3.960 -0.001 0.000 0.320 75 G C -1.132 173.772 174.900 0.007 0.000 1.204 75 G CA 0.376 45.468 45.100 -0.012 0.000 0.923 75 G HN 0.415 nan 8.290 nan 0.000 0.466 76 D N 1.837 122.264 120.400 0.045 0.000 2.389 76 D HA 0.003 4.643 4.640 -0.001 0.000 0.263 76 D C 1.527 177.844 176.300 0.028 0.000 1.255 76 D CA 0.059 54.075 54.000 0.027 0.000 0.914 76 D CB 0.845 41.650 40.800 0.008 0.000 1.116 76 D HN 0.573 nan 8.370 nan 0.000 0.502 77 E N 1.673 121.886 120.200 0.021 0.000 2.204 77 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 77 E C 1.525 178.176 176.600 0.085 0.000 0.990 77 E CA 0.799 57.217 56.400 0.031 0.000 0.821 77 E CB 0.041 29.764 29.700 0.038 0.000 0.750 77 E HN 0.428 nan 8.360 nan 0.000 0.477 78 T N 1.095 115.685 114.554 0.060 0.000 2.803 78 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 78 T C 0.848 175.491 174.700 -0.094 0.000 1.052 78 T CA 0.792 62.912 62.100 0.034 0.000 1.136 78 T CB -0.194 68.665 68.868 -0.015 0.000 0.864 78 T HN 0.004 nan 8.240 nan 0.000 0.467 79 N N 1.181 119.827 118.700 -0.090 0.000 2.462 79 N HA 0.172 4.911 4.740 -0.001 0.000 0.242 79 N C -0.731 174.739 175.510 -0.067 0.000 1.010 79 N CA -0.611 52.297 53.050 -0.236 0.000 0.939 79 N CB 0.194 38.551 38.487 -0.217 0.000 1.127 79 N HN 0.305 nan 8.380 nan 0.000 0.509 80 F N 0.369 120.262 119.950 -0.094 0.000 2.835 80 F HA 0.475 5.002 4.527 -0.001 0.000 0.342 80 F C 0.128 175.891 175.800 -0.061 0.000 1.202 80 F CA -1.080 56.882 58.000 -0.063 0.000 1.240 80 F CB -0.765 38.142 39.000 -0.156 0.000 1.005 80 F HN -0.009 nan 8.300 nan 0.000 0.507 81 S N -0.099 115.516 115.700 -0.142 0.000 2.592 81 S HA 0.131 4.600 4.470 -0.001 0.000 0.271 81 S C -0.417 174.233 174.600 0.083 0.000 1.326 81 S CA -0.635 57.500 58.200 -0.108 0.000 1.024 81 S CB 1.256 64.286 63.200 -0.284 0.000 0.921 81 S HN 0.327 nan 8.310 nan 0.000 0.527 82 D N 0.776 121.204 120.400 0.046 0.000 2.317 82 D HA 0.116 4.755 4.640 -0.001 0.000 0.252 82 D C 0.380 176.729 176.300 0.083 0.000 1.174 82 D CA -0.391 53.648 54.000 0.064 0.000 0.866 82 D CB 0.183 40.974 40.800 -0.016 0.000 1.127 82 D HN 0.767 nan 8.370 nan 0.000 0.467 83 N N 2.301 121.079 118.700 0.130 0.000 2.275 83 N HA 0.022 4.762 4.740 -0.001 0.000 0.236 83 N C 0.449 175.996 175.510 0.060 0.000 1.154 83 N CA -0.472 52.641 53.050 0.106 0.000 0.866 83 N CB 0.467 39.048 38.487 0.156 0.000 1.093 83 N HN 0.160 nan 8.380 nan 0.000 0.515 84 N N 0.408 119.134 118.700 0.045 0.000 2.486 84 N HA 0.077 4.817 4.740 -0.001 0.000 0.242 84 N C 1.223 176.754 175.510 0.036 0.000 1.083 84 N CA 1.571 54.665 53.050 0.074 0.000 0.844 84 N CB 0.821 39.381 38.487 0.121 0.000 1.527 84 N HN 0.336 nan 8.380 nan 0.000 0.462 85 G N 0.788 109.526 108.800 -0.104 0.000 2.349 85 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.213 85 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.213 85 G C 0.967 175.801 174.900 -0.110 0.000 1.044 85 G CA 0.544 45.386 45.100 -0.429 0.000 0.633 85 G HN 0.535 nan 8.290 nan 0.000 0.506 86 H N 1.535 120.615 119.070 0.017 0.000 2.253 86 H HA -0.122 4.433 4.556 -0.001 0.000 0.296 86 H C 2.848 178.176 175.328 -0.000 0.000 1.074 86 H CA 3.047 59.079 56.048 -0.026 0.000 1.263 86 H CB -0.822 28.894 29.762 -0.076 0.000 1.363 86 H HN 0.507 nan 8.280 nan 0.000 0.489 87 G N -0.226 108.588 108.800 0.022 0.000 2.574 87 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.220 87 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.220 87 G C 1.794 176.634 174.900 -0.100 0.000 1.173 87 G CA 2.051 47.130 45.100 -0.035 0.000 0.772 87 G HN 0.494 nan 8.290 nan 0.000 0.585 88 T N -0.411 114.089 114.554 -0.090 0.000 2.803 88 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 88 T C 1.969 176.611 174.700 -0.096 0.000 1.052 88 T CA 1.737 63.771 62.100 -0.110 0.000 1.136 88 T CB -0.318 68.461 68.868 -0.148 0.000 0.864 88 T HN 0.612 nan 8.240 nan 0.000 0.467 89 H N 0.505 119.488 119.070 -0.145 0.000 2.293 89 H HA -0.019 4.537 4.556 -0.001 0.000 0.300 89 H C 2.120 177.331 175.328 -0.195 0.000 1.082 89 H CA 1.500 57.484 56.048 -0.107 0.000 1.308 89 H CB -0.370 29.335 29.762 -0.094 0.000 1.375 89 H HN 0.098 nan 8.280 nan 0.000 0.495 90 V N 0.838 120.653 119.914 -0.165 0.000 2.407 90 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 90 V C 2.695 178.695 176.094 -0.156 0.000 1.055 90 V CA 1.584 63.771 62.300 -0.188 0.000 1.049 90 V CB -1.228 30.463 31.823 -0.221 0.000 0.662 90 V HN 0.697 nan 8.190 nan 0.000 0.455 91 A N 0.687 123.424 122.820 -0.140 0.000 1.865 91 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 91 A C 2.463 179.969 177.584 -0.130 0.000 1.191 91 A CA 2.159 54.126 52.037 -0.117 0.000 0.623 91 A CB -1.382 17.553 19.000 -0.108 0.000 0.826 91 A HN 0.531 nan 8.150 nan 0.000 0.444 92 G N -1.360 107.335 108.800 -0.174 0.000 2.442 92 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.219 92 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.219 92 G C 1.551 176.361 174.900 -0.149 0.000 1.141 92 G CA 1.711 46.709 45.100 -0.169 0.000 0.763 92 G HN 0.461 nan 8.290 nan 0.000 0.554 93 T N 0.870 115.301 114.554 -0.206 0.000 2.737 93 T HA -0.093 4.256 4.350 -0.001 0.000 0.265 93 T C 2.572 177.196 174.700 -0.126 0.000 1.038 93 T CA 1.178 63.153 62.100 -0.208 0.000 1.144 93 T CB -0.310 68.338 68.868 -0.366 0.000 0.866 93 T HN 0.070 nan 8.240 nan 0.000 0.434 94 V N 1.132 120.981 119.914 -0.109 0.000 2.255 94 V HA -0.028 4.092 4.120 -0.001 0.000 0.247 94 V C 1.770 177.855 176.094 -0.015 0.000 1.051 94 V CA 1.732 64.003 62.300 -0.049 0.000 1.018 94 V CB -0.665 31.131 31.823 -0.045 0.000 0.641 94 V HN 0.618 nan 8.190 nan 0.000 0.445 95 A N -1.423 121.377 122.820 -0.033 0.000 3.019 95 A HA 0.702 5.022 4.320 -0.001 0.000 0.202 95 A C 0.196 177.758 177.584 -0.037 0.000 0.924 95 A CA 0.221 52.244 52.037 -0.025 0.000 1.156 95 A CB -0.354 18.633 19.000 -0.023 0.000 1.265 95 A HN 0.560 nan 8.150 nan 0.000 0.526 96 A N 0.526 123.324 122.820 -0.038 0.000 2.483 96 A HA 0.602 4.921 4.320 -0.001 0.000 0.238 96 A C 0.832 178.397 177.584 -0.032 0.000 1.070 96 A CA 0.602 52.620 52.037 -0.031 0.000 0.770 96 A CB 0.088 19.076 19.000 -0.020 0.000 1.008 96 A HN 1.932 nan 8.150 nan 0.000 0.497 97 A N 1.686 124.492 122.820 -0.023 0.000 2.327 97 A HA 0.465 4.785 4.320 -0.001 0.000 0.283 97 A C 0.286 177.838 177.584 -0.053 0.000 1.127 97 A CA -0.469 51.538 52.037 -0.050 0.000 0.810 97 A CB 0.051 19.033 19.000 -0.032 0.000 1.066 97 A HN 0.859 nan 8.150 nan 0.000 0.492 98 E N 1.253 121.387 120.200 -0.110 0.000 2.311 98 E HA 0.062 4.411 4.350 -0.001 0.000 0.247 98 E C 0.592 177.164 176.600 -0.047 0.000 1.215 98 E CA 0.758 57.101 56.400 -0.096 0.000 0.957 98 E CB 0.099 29.699 29.700 -0.165 0.000 1.020 98 E HN 0.724 nan 8.360 nan 0.000 0.461 99 T N -0.212 114.333 114.554 -0.014 0.000 3.043 99 T HA 0.268 4.618 4.350 -0.001 0.000 0.272 99 T C 1.300 176.005 174.700 0.009 0.000 0.990 99 T CA 0.044 62.145 62.100 0.003 0.000 0.897 99 T CB 0.749 69.632 68.868 0.026 0.000 1.111 99 T HN 0.500 nan 8.240 nan 0.000 0.529 100 G N 1.443 110.247 108.800 0.006 0.000 2.155 100 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.257 100 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.257 100 G C 0.166 175.075 174.900 0.015 0.000 0.983 100 G CA 0.666 45.773 45.100 0.010 0.000 0.676 100 G HN 1.686 nan 8.290 nan 0.000 0.528 101 S N -2.460 113.253 115.700 0.022 0.000 2.615 101 S HA 0.893 5.362 4.470 -0.001 0.000 0.269 101 S C 1.056 175.680 174.600 0.040 0.000 1.161 101 S CA 0.710 58.926 58.200 0.028 0.000 0.817 101 S CB 1.561 64.786 63.200 0.042 0.000 1.131 101 S HN 2.333 nan 8.310 nan 0.000 0.467 102 G N 0.738 109.549 108.800 0.019 0.000 2.557 102 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.292 102 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.292 102 G C -0.100 174.719 174.900 -0.135 0.000 1.162 102 G CA 0.333 45.420 45.100 -0.022 0.000 0.964 102 G HN 1.821 nan 8.290 nan 0.000 0.541 103 V N -0.948 118.947 119.914 -0.031 0.000 3.182 103 V HA 0.836 4.955 4.120 -0.001 0.000 0.308 103 V C -0.846 175.259 176.094 0.018 0.000 1.240 103 V CA 0.185 62.461 62.300 -0.040 0.000 1.063 103 V CB 1.973 33.756 31.823 -0.066 0.000 1.076 103 V HN 2.009 nan 8.190 nan 0.000 0.446 104 V N 0.832 120.768 119.914 0.035 0.000 2.851 104 V HA 0.915 5.035 4.120 -0.001 0.000 0.307 104 V C -0.002 176.149 176.094 0.094 0.000 1.129 104 V CA 0.555 62.886 62.300 0.052 0.000 0.932 104 V CB 1.740 33.603 31.823 0.066 0.000 1.024 104 V HN 1.155 nan 8.190 nan 0.000 0.426 105 G N 3.250 112.090 108.800 0.067 0.000 2.537 105 G HA2 0.463 4.423 3.960 -0.001 0.000 0.297 105 G HA3 0.463 4.423 3.960 -0.001 0.000 0.297 105 G C 0.784 175.812 174.900 0.215 0.000 1.310 105 G CA 0.206 45.359 45.100 0.087 0.000 1.027 105 G HN 0.957 nan 8.290 nan 0.000 0.505 106 V N 0.303 120.340 119.914 0.205 0.000 2.548 106 V HA 0.120 4.239 4.120 -0.001 0.000 0.249 106 V C 1.866 178.186 176.094 0.377 0.000 1.055 106 V CA 1.949 64.435 62.300 0.311 0.000 1.065 106 V CB -0.328 31.616 31.823 0.202 0.000 0.681 106 V HN 0.782 nan 8.190 nan 0.000 0.462 107 A N 0.576 123.504 122.820 0.181 0.000 3.064 107 A HA 0.533 4.853 4.320 -0.001 0.000 0.339 107 A C -1.537 176.038 177.584 -0.015 0.000 1.078 107 A CA -0.984 51.116 52.037 0.105 0.000 0.869 107 A CB 0.352 19.402 19.000 0.082 0.000 1.067 107 A HN 0.305 nan 8.150 nan 0.000 0.480 108 P HA -0.024 nan 4.420 nan 0.000 0.233 108 P C 0.762 177.967 177.300 -0.159 0.000 1.167 108 P CA 0.974 63.968 63.100 -0.176 0.000 0.770 108 P CB 0.407 31.894 31.700 -0.355 0.000 0.837 109 K N -0.668 119.641 120.400 -0.151 0.000 2.355 109 K HA 0.318 4.638 4.320 -0.001 0.000 0.198 109 K C 0.844 177.419 176.600 -0.043 0.000 1.039 109 K CA -0.132 56.096 56.287 -0.098 0.000 1.075 109 K CB 0.083 32.518 32.500 -0.109 0.000 0.870 109 K HN -0.026 nan 8.250 nan 0.000 0.540 110 A N 0.727 123.531 122.820 -0.027 0.000 2.346 110 A HA 0.203 4.522 4.320 -0.001 0.000 0.252 110 A C -0.572 177.014 177.584 0.004 0.000 1.089 110 A CA -0.115 51.923 52.037 0.002 0.000 0.797 110 A CB 0.198 19.207 19.000 0.015 0.000 1.047 110 A HN 0.165 nan 8.150 nan 0.000 0.494 111 D N -0.145 120.267 120.400 0.021 0.000 2.228 111 D HA 0.585 5.225 4.640 -0.001 0.000 0.247 111 D C -0.660 175.652 176.300 0.020 0.000 0.995 111 D CA 0.075 54.092 54.000 0.027 0.000 0.903 111 D CB 1.446 42.281 40.800 0.058 0.000 1.205 111 D HN 0.374 nan 8.370 nan 0.000 0.459 112 L N 1.236 122.462 121.223 0.005 0.000 2.329 112 L HA 0.501 4.840 4.340 -0.001 0.000 0.279 112 L C -0.609 176.239 176.870 -0.036 0.000 1.014 112 L CA -0.989 53.839 54.840 -0.019 0.000 0.814 112 L CB 1.393 43.423 42.059 -0.048 0.000 1.257 112 L HN 0.212 nan 8.230 nan 0.000 0.424 113 F N 4.068 123.875 119.950 -0.239 0.000 2.482 113 F HA 0.585 5.112 4.527 -0.001 0.000 0.331 113 F C -0.515 175.069 175.800 -0.360 0.000 1.115 113 F CA -0.705 57.064 58.000 -0.384 0.000 0.955 113 F CB 1.247 39.902 39.000 -0.575 0.000 1.136 113 F HN 0.158 nan 8.300 nan 0.000 0.452 114 I N 8.212 128.224 120.570 -0.931 0.000 2.371 114 I HA 0.272 4.442 4.170 -0.001 0.000 0.282 114 I C -0.488 175.230 176.117 -0.665 0.000 1.031 114 I CA -0.419 60.510 61.300 -0.619 0.000 1.180 114 I CB 0.918 38.605 38.000 -0.522 0.000 1.336 114 I HN 0.508 nan 8.210 nan 0.000 0.467 115 I N 5.990 126.388 120.570 -0.287 0.000 2.291 115 I HA 0.158 4.327 4.170 -0.001 0.000 0.292 115 I C 0.835 176.877 176.117 -0.124 0.000 1.064 115 I CA -0.317 60.864 61.300 -0.198 0.000 1.269 115 I CB 0.512 38.485 38.000 -0.044 0.000 1.418 115 I HN 0.429 nan 8.210 nan 0.000 0.485 116 K N 6.167 126.492 120.400 -0.125 0.000 2.171 116 K HA 0.362 4.682 4.320 -0.001 0.000 0.274 116 K C 0.805 177.359 176.600 -0.076 0.000 1.110 116 K CA -0.064 56.195 56.287 -0.046 0.000 0.952 116 K CB 0.528 33.041 32.500 0.022 0.000 1.309 116 K HN 0.771 nan 8.250 nan 0.000 0.414 117 A N 5.290 128.103 122.820 -0.011 0.000 2.195 117 A HA 0.233 4.552 4.320 -0.001 0.000 0.210 117 A C 0.194 177.878 177.584 0.166 0.000 1.165 117 A CA 0.096 52.160 52.037 0.046 0.000 0.806 117 A CB 0.143 19.198 19.000 0.092 0.000 0.847 117 A HN 0.585 nan 8.150 nan 0.000 0.482 118 L N -0.040 121.263 121.223 0.133 0.000 2.341 118 L HA 0.432 4.771 4.340 -0.001 0.000 0.267 118 L C -0.127 176.819 176.870 0.126 0.000 1.009 118 L CA -0.803 54.158 54.840 0.202 0.000 0.819 118 L CB 2.244 44.405 42.059 0.170 0.000 1.323 118 L HN 0.040 nan 8.230 nan 0.000 0.425 119 S N 0.161 115.963 115.700 0.170 0.000 2.624 119 S HA 0.166 4.636 4.470 -0.001 0.000 0.263 119 S C 1.230 175.861 174.600 0.051 0.000 1.287 119 S CA -0.101 58.139 58.200 0.067 0.000 0.990 119 S CB 1.337 64.602 63.200 0.108 0.000 0.950 119 S HN 0.885 nan 8.310 nan 0.000 0.561 120 G N 1.272 110.072 108.800 -0.000 0.000 2.475 120 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 120 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 120 G C 0.928 175.863 174.900 0.060 0.000 1.125 120 G CA 1.119 46.238 45.100 0.031 0.000 0.755 120 G HN 0.879 nan 8.290 nan 0.000 0.565 121 D N -0.406 120.026 120.400 0.054 0.000 2.392 121 D HA 0.184 4.823 4.640 -0.001 0.000 0.228 121 D C 1.793 178.138 176.300 0.076 0.000 1.003 121 D CA 1.093 55.129 54.000 0.059 0.000 0.917 121 D CB -0.561 40.269 40.800 0.049 0.000 0.890 121 D HN 0.573 nan 8.370 nan 0.000 0.532 122 G N -0.580 108.278 108.800 0.096 0.000 2.234 122 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.235 122 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.235 122 G C 0.447 175.420 174.900 0.123 0.000 0.997 122 G CA 0.502 45.667 45.100 0.109 0.000 0.623 122 G HN 0.922 nan 8.290 nan 0.000 0.514 123 S N -0.622 115.154 115.700 0.126 0.000 2.767 123 S HA 0.936 5.405 4.470 -0.001 0.000 0.300 123 S C 0.114 174.831 174.600 0.195 0.000 1.123 123 S CA 0.322 58.605 58.200 0.138 0.000 0.992 123 S CB 2.506 65.756 63.200 0.083 0.000 1.138 123 S HN 2.024 nan 8.310 nan 0.000 0.550 124 G N -0.286 108.606 108.800 0.153 0.000 2.702 124 G HA2 0.453 4.413 3.960 -0.001 0.000 0.296 124 G HA3 0.453 4.413 3.960 -0.001 0.000 0.296 124 G C -1.634 173.132 174.900 -0.224 0.000 1.463 124 G CA -0.872 44.314 45.100 0.143 0.000 0.890 124 G HN 0.741 nan 8.290 nan 0.000 0.534 125 E N 0.803 120.420 120.200 -0.971 0.000 2.437 125 E HA 0.091 4.441 4.350 -0.001 0.000 0.263 125 E C 1.785 178.119 176.600 -0.443 0.000 1.030 125 E CA 0.082 55.970 56.400 -0.853 0.000 0.934 125 E CB 0.998 29.830 29.700 -1.447 0.000 0.943 125 E HN 0.634 nan 8.360 nan 0.000 0.444 126 M N 2.729 122.157 119.600 -0.287 0.000 2.106 126 M HA -0.115 4.365 4.480 -0.001 0.000 0.259 126 M C 1.710 177.840 176.300 -0.283 0.000 1.068 126 M CA 2.584 57.636 55.300 -0.413 0.000 1.100 126 M CB -0.872 31.618 32.600 -0.184 0.000 1.351 126 M HN 0.527 nan 8.290 nan 0.000 0.404 127 G N -0.561 108.143 108.800 -0.161 0.000 2.440 127 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 127 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 127 G C 1.048 176.030 174.900 0.136 0.000 1.154 127 G CA 0.951 46.042 45.100 -0.014 0.000 0.767 127 G HN 0.657 nan 8.290 nan 0.000 0.552 128 W N 0.631 121.891 121.300 -0.066 0.000 2.325 128 W HA 0.005 4.664 4.660 -0.001 0.000 0.299 128 W C 2.411 178.895 176.519 -0.059 0.000 1.215 128 W CA 0.303 57.619 57.345 -0.048 0.000 1.244 128 W CB -1.006 28.432 29.460 -0.036 0.000 1.140 128 W HN 0.207 nan 8.180 nan 0.000 0.523 129 I N -0.165 120.469 120.570 0.106 0.000 2.339 129 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 129 I C 2.617 178.743 176.117 0.015 0.000 1.096 129 I CA 1.408 62.719 61.300 0.017 0.000 1.408 129 I CB -1.069 36.852 38.000 -0.130 0.000 1.092 129 I HN -0.147 nan 8.210 nan 0.000 0.423 130 A N 0.500 123.306 122.820 -0.024 0.000 1.917 130 A HA -0.317 4.003 4.320 -0.001 0.000 0.219 130 A C 2.339 179.958 177.584 0.059 0.000 1.182 130 A CA 2.230 54.274 52.037 0.011 0.000 0.633 130 A CB -0.630 18.363 19.000 -0.012 0.000 0.819 130 A HN 0.351 nan 8.150 nan 0.000 0.448 131 K N -0.691 119.758 120.400 0.083 0.000 2.217 131 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 131 K C 2.081 178.766 176.600 0.141 0.000 1.051 131 K CA 0.901 57.256 56.287 0.114 0.000 0.952 131 K CB -0.257 32.318 32.500 0.124 0.000 0.736 131 K HN 0.418 nan 8.250 nan 0.000 0.453 132 A N 1.331 124.217 122.820 0.110 0.000 1.855 132 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 132 A C 2.008 179.682 177.584 0.151 0.000 1.191 132 A CA 1.426 53.527 52.037 0.106 0.000 0.613 132 A CB -0.602 18.440 19.000 0.070 0.000 0.829 132 A HN 0.282 nan 8.150 nan 0.000 0.442 133 I N -0.578 120.068 120.570 0.126 0.000 2.163 133 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 133 I C 2.723 178.944 176.117 0.174 0.000 1.085 133 I CA 1.700 63.080 61.300 0.133 0.000 1.347 133 I CB -0.578 37.493 38.000 0.119 0.000 1.044 133 I HN 0.314 nan 8.210 nan 0.000 0.408 134 R N -0.093 120.517 120.500 0.183 0.000 2.096 134 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 134 R C 2.387 178.811 176.300 0.206 0.000 1.127 134 R CA 1.674 57.903 56.100 0.215 0.000 0.968 134 R CB -0.694 29.660 30.300 0.090 0.000 0.861 134 R HN 0.387 nan 8.270 nan 0.000 0.440 135 Y N 1.486 121.837 120.300 0.086 0.000 2.145 135 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 135 Y C 2.479 178.406 175.900 0.046 0.000 1.145 135 Y CA 1.673 59.818 58.100 0.075 0.000 1.148 135 Y CB -0.241 38.259 38.460 0.066 0.000 0.981 135 Y HN 0.068 nan 8.280 nan 0.000 0.507 136 A N -0.850 122.097 122.820 0.212 0.000 1.933 136 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 136 A C 2.216 179.813 177.584 0.022 0.000 1.175 136 A CA 1.953 54.014 52.037 0.040 0.000 0.628 136 A CB -1.208 17.814 19.000 0.038 0.000 0.814 136 A HN 0.353 nan 8.150 nan 0.000 0.444 137 V N 0.194 120.143 119.914 0.058 0.000 2.548 137 V HA -0.123 3.996 4.120 -0.001 0.000 0.249 137 V C 1.367 177.472 176.094 0.019 0.000 1.055 137 V CA 1.963 64.273 62.300 0.016 0.000 1.065 137 V CB -0.507 31.301 31.823 -0.026 0.000 0.681 137 V HN 0.461 nan 8.190 nan 0.000 0.462 138 D N -2.063 118.362 120.400 0.041 0.000 2.349 138 D HA 0.038 4.678 4.640 -0.001 0.000 0.214 138 D C 0.341 176.597 176.300 -0.074 0.000 1.063 138 D CA -0.172 53.828 54.000 0.001 0.000 0.847 138 D CB 0.144 40.955 40.800 0.019 0.000 0.933 138 D HN 0.598 nan 8.370 nan 0.000 0.513 139 W N 2.442 123.556 121.300 -0.310 0.000 2.261 139 W HA 0.304 4.964 4.660 -0.001 0.000 0.323 139 W C -0.167 176.205 176.519 -0.246 0.000 1.243 139 W CA -0.496 56.627 57.345 -0.371 0.000 1.210 139 W CB 0.719 29.851 29.460 -0.546 0.000 1.149 139 W HN -0.377 nan 8.180 nan 0.000 0.562 140 R N 4.314 124.254 120.500 -0.933 0.000 2.686 140 R HA 0.494 4.834 4.340 -0.001 0.000 0.286 140 R C 0.220 175.560 176.300 -1.600 0.000 0.969 140 R CA -0.832 54.687 56.100 -0.968 0.000 0.898 140 R CB 1.351 31.360 30.300 -0.486 0.000 1.183 140 R HN 0.792 nan 8.270 nan 0.000 0.456 141 G N 1.434 109.444 108.800 -1.316 0.000 2.588 141 G HA2 0.266 4.225 3.960 -0.001 0.000 0.281 141 G HA3 0.266 4.225 3.960 -0.001 0.000 0.281 141 G C -1.633 173.037 174.900 -0.383 0.000 1.236 141 G CA -1.020 43.585 45.100 -0.825 0.000 0.969 141 G HN 0.222 nan 8.290 nan 0.000 0.504 142 P HA -0.048 nan 4.420 nan 0.000 0.215 142 P C 1.311 178.555 177.300 -0.092 0.000 1.157 142 P CA 1.424 64.467 63.100 -0.095 0.000 0.868 142 P CB 0.180 31.870 31.700 -0.017 0.000 0.788 143 K N -1.688 118.667 120.400 -0.074 0.000 2.476 143 K HA 0.299 4.619 4.320 -0.001 0.000 0.196 143 K C 0.926 177.475 176.600 -0.084 0.000 1.025 143 K CA 0.553 56.804 56.287 -0.060 0.000 1.138 143 K CB -0.285 32.197 32.500 -0.029 0.000 0.860 143 K HN 0.164 nan 8.250 nan 0.000 0.515 144 G N 1.506 110.221 108.800 -0.141 0.000 2.141 144 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.231 144 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.231 144 G C -0.427 174.377 174.900 -0.160 0.000 0.984 144 G CA -0.339 44.663 45.100 -0.163 0.000 0.660 144 G HN 0.340 nan 8.290 nan 0.000 0.525 145 E N 0.475 120.587 120.200 -0.147 0.000 2.425 145 E HA 0.516 4.866 4.350 -0.001 0.000 0.258 145 E C 0.758 177.323 176.600 -0.059 0.000 1.151 145 E CA 0.598 56.965 56.400 -0.056 0.000 0.958 145 E CB 0.273 30.002 29.700 0.049 0.000 0.968 145 E HN 0.762 nan 8.360 nan 0.000 0.451 146 Q N 0.115 119.965 119.800 0.083 0.000 2.353 146 Q HA 0.434 4.773 4.340 -0.001 0.000 0.275 146 Q C -1.099 174.990 176.000 0.149 0.000 1.029 146 Q CA -0.757 55.135 55.803 0.148 0.000 0.848 146 Q CB 1.138 29.894 28.738 0.030 0.000 1.390 146 Q HN 0.375 nan 8.270 nan 0.000 0.401 147 M N 2.053 121.739 119.600 0.145 0.000 2.219 147 M HA 0.203 4.682 4.480 -0.001 0.000 0.353 147 M C 0.803 177.121 176.300 0.030 0.000 1.304 147 M CA 0.128 55.459 55.300 0.052 0.000 1.115 147 M CB 0.607 33.195 32.600 -0.019 0.000 1.664 147 M HN 0.543 nan 8.290 nan 0.000 0.459 148 R N 3.035 123.551 120.500 0.026 0.000 2.334 148 R HA 0.366 4.706 4.340 -0.001 0.000 0.212 148 R C -0.233 176.077 176.300 0.017 0.000 0.897 148 R CA 0.500 56.609 56.100 0.015 0.000 1.056 148 R CB 0.078 30.388 30.300 0.017 0.000 1.046 148 R HN 0.580 nan 8.270 nan 0.000 0.513 149 I N 0.857 121.439 120.570 0.021 0.000 2.647 149 I HA 0.373 4.543 4.170 -0.001 0.000 0.295 149 I C -0.785 175.347 176.117 0.026 0.000 1.078 149 I CA -0.883 60.434 61.300 0.027 0.000 1.048 149 I CB 2.562 40.582 38.000 0.033 0.000 1.239 149 I HN -0.280 nan 8.210 nan 0.000 0.421 150 I N 3.192 123.783 120.570 0.035 0.000 2.619 150 I HA 0.455 4.625 4.170 -0.001 0.000 0.292 150 I C -0.501 175.646 176.117 0.051 0.000 1.100 150 I CA -0.275 61.050 61.300 0.041 0.000 1.043 150 I CB 2.211 40.240 38.000 0.049 0.000 1.239 150 I HN 0.532 nan 8.210 nan 0.000 0.420 151 T N 8.044 122.628 114.554 0.050 0.000 2.921 151 T HA 0.816 5.165 4.350 -0.001 0.000 0.297 151 T C -0.796 173.946 174.700 0.070 0.000 1.013 151 T CA -0.521 61.613 62.100 0.056 0.000 0.990 151 T CB 0.812 69.703 68.868 0.038 0.000 1.023 151 T HN 0.551 nan 8.240 nan 0.000 0.447 152 M N 2.182 121.834 119.600 0.087 0.000 2.575 152 M HA 0.679 5.159 4.480 -0.001 0.000 0.284 152 M C -0.866 175.504 176.300 0.118 0.000 1.253 152 M CA -0.957 54.409 55.300 0.109 0.000 0.861 152 M CB 2.230 34.901 32.600 0.119 0.000 1.733 152 M HN 0.308 nan 8.290 nan 0.000 0.462 153 S N 2.176 117.959 115.700 0.139 0.000 2.740 153 S HA 0.476 4.946 4.470 -0.001 0.000 0.244 153 S C -0.685 173.957 174.600 0.070 0.000 1.101 153 S CA -0.690 57.577 58.200 0.113 0.000 1.123 153 S CB -0.276 63.035 63.200 0.184 0.000 1.012 153 S HN 0.582 nan 8.310 nan 0.000 0.491 154 L N -1.815 119.483 121.223 0.126 0.000 2.301 154 L HA 1.132 5.471 4.340 -0.001 0.000 0.264 154 L C -0.126 176.892 176.870 0.247 0.000 1.016 154 L CA -0.755 54.196 54.840 0.185 0.000 0.821 154 L CB 1.114 43.307 42.059 0.224 0.000 1.346 154 L HN 0.078 nan 8.230 nan 0.000 0.429 155 G N -1.419 107.582 108.800 0.335 0.000 2.698 155 G HA2 0.723 4.682 3.960 -0.001 0.000 0.293 155 G HA3 0.723 4.682 3.960 -0.001 0.000 0.293 155 G C -1.424 173.497 174.900 0.036 0.000 1.437 155 G CA -0.300 44.972 45.100 0.287 0.000 0.852 155 G HN 0.995 nan 8.290 nan 0.000 0.499 156 G N -0.681 107.862 108.800 -0.429 0.000 2.690 156 G HA2 0.736 4.695 3.960 -0.001 0.000 0.291 156 G HA3 0.736 4.695 3.960 -0.001 0.000 0.291 156 G C -2.357 172.133 174.900 -0.684 0.000 1.403 156 G CA -1.129 43.279 45.100 -1.153 0.000 0.864 156 G HN 0.367 nan 8.290 nan 0.000 0.480 157 P HA 0.146 nan 4.420 nan 0.000 0.251 157 P C 0.437 177.711 177.300 -0.043 0.000 1.223 157 P CA 0.413 63.373 63.100 -0.233 0.000 0.796 157 P CB 0.504 32.053 31.700 -0.252 0.000 1.068 158 T N 1.269 115.743 114.554 -0.133 0.000 2.795 158 T HA 0.188 4.538 4.350 -0.001 0.000 0.282 158 T C -0.250 174.302 174.700 -0.246 0.000 0.980 158 T CA -0.109 61.942 62.100 -0.082 0.000 1.012 158 T CB 0.845 69.714 68.868 0.001 0.000 0.936 158 T HN -0.137 nan 8.240 nan 0.000 0.457 159 D N 2.600 122.719 120.400 -0.469 0.000 2.558 159 D HA 0.129 4.768 4.640 -0.001 0.000 0.221 159 D C 0.144 176.332 176.300 -0.186 0.000 1.143 159 D CA -0.030 53.535 54.000 -0.725 0.000 1.010 159 D CB 0.029 40.438 40.800 -0.653 0.000 1.068 159 D HN 0.315 nan 8.370 nan 0.000 0.511 160 S N 1.881 117.564 115.700 -0.028 0.000 2.565 160 S HA 0.067 4.537 4.470 -0.001 0.000 0.276 160 S C 1.301 175.947 174.600 0.077 0.000 1.326 160 S CA -0.519 57.712 58.200 0.050 0.000 1.045 160 S CB 0.929 64.179 63.200 0.084 0.000 0.918 160 S HN 0.325 nan 8.310 nan 0.000 0.505 161 E N 2.532 122.758 120.200 0.044 0.000 2.112 161 E HA -0.091 4.259 4.350 -0.001 0.000 0.190 161 E C 1.818 178.427 176.600 0.015 0.000 0.979 161 E CA 0.822 57.244 56.400 0.037 0.000 0.814 161 E CB -0.232 29.475 29.700 0.011 0.000 0.762 161 E HN 0.870 nan 8.360 nan 0.000 0.460 162 E N 0.367 120.571 120.200 0.007 0.000 2.077 162 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 162 E C 2.059 178.659 176.600 0.000 0.000 0.989 162 E CA 0.740 57.134 56.400 -0.010 0.000 0.800 162 E CB 0.012 29.704 29.700 -0.014 0.000 0.746 162 E HN 0.058 nan 8.360 nan 0.000 0.452 163 L N 0.522 121.762 121.223 0.028 0.000 2.109 163 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 163 L C 2.186 179.086 176.870 0.050 0.000 1.086 163 L CA 1.995 56.871 54.840 0.060 0.000 0.760 163 L CB -0.707 41.418 42.059 0.111 0.000 0.910 163 L HN 0.260 nan 8.230 nan 0.000 0.437 164 H N -1.262 117.692 119.070 -0.193 0.000 2.387 164 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 164 H C 1.428 176.577 175.328 -0.299 0.000 1.090 164 H CA 1.236 56.943 56.048 -0.569 0.000 1.332 164 H CB 0.427 29.818 29.762 -0.619 0.000 1.386 164 H HN 0.382 nan 8.280 nan 0.000 0.516 165 D N 0.214 120.561 120.400 -0.088 0.000 2.144 165 D HA -0.086 4.553 4.640 -0.001 0.000 0.200 165 D C 2.226 178.521 176.300 -0.008 0.000 0.978 165 D CA 0.989 54.935 54.000 -0.090 0.000 0.833 165 D CB -0.440 40.312 40.800 -0.081 0.000 0.961 165 D HN 0.464 nan 8.370 nan 0.000 0.470 166 A N 0.734 123.564 122.820 0.017 0.000 1.883 166 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 166 A C 2.502 180.158 177.584 0.121 0.000 1.186 166 A CA 1.388 53.478 52.037 0.087 0.000 0.624 166 A CB -0.865 18.177 19.000 0.070 0.000 0.822 166 A HN 0.148 nan 8.150 nan 0.000 0.444 167 V N -0.007 119.951 119.914 0.073 0.000 2.392 167 V HA -0.297 3.823 4.120 -0.001 0.000 0.249 167 V C 2.447 178.568 176.094 0.044 0.000 1.059 167 V CA 2.486 64.832 62.300 0.076 0.000 1.051 167 V CB -0.649 31.225 31.823 0.085 0.000 0.658 167 V HN 0.566 nan 8.190 nan 0.000 0.455 168 K N -1.527 118.876 120.400 0.004 0.000 2.098 168 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 168 K C 2.193 178.811 176.600 0.031 0.000 1.051 168 K CA 1.052 57.324 56.287 -0.026 0.000 0.957 168 K CB -0.316 32.118 32.500 -0.110 0.000 0.738 168 K HN 0.416 nan 8.250 nan 0.000 0.447 169 Y N 2.023 122.289 120.300 -0.056 0.000 2.102 169 Y HA -0.350 4.199 4.550 -0.001 0.000 0.280 169 Y C 2.193 178.080 175.900 -0.022 0.000 1.178 169 Y CA 1.619 59.697 58.100 -0.037 0.000 1.146 169 Y CB -0.522 37.921 38.460 -0.027 0.000 0.968 169 Y HN 0.074 nan 8.280 nan 0.000 0.504 170 A N -1.263 121.549 122.820 -0.013 0.000 1.898 170 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 170 A C 2.383 179.908 177.584 -0.097 0.000 1.181 170 A CA 1.930 53.920 52.037 -0.079 0.000 0.620 170 A CB -1.180 17.831 19.000 0.017 0.000 0.819 170 A HN 0.304 nan 8.150 nan 0.000 0.442 171 V N 0.514 120.393 119.914 -0.057 0.000 2.488 171 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 171 V C 2.832 178.880 176.094 -0.077 0.000 1.046 171 V CA 2.067 64.333 62.300 -0.056 0.000 1.053 171 V CB -0.487 31.313 31.823 -0.039 0.000 0.679 171 V HN 0.778 nan 8.190 nan 0.000 0.458 172 S N 0.110 115.758 115.700 -0.088 0.000 2.507 172 S HA -0.096 4.373 4.470 -0.001 0.000 0.235 172 S C 1.322 175.841 174.600 -0.136 0.000 0.988 172 S CA 1.078 59.223 58.200 -0.091 0.000 0.944 172 S CB -0.465 62.697 63.200 -0.063 0.000 0.762 172 S HN 0.650 nan 8.310 nan 0.000 0.526 173 N N 1.867 120.448 118.700 -0.198 0.000 2.273 173 N HA 0.179 4.918 4.740 -0.001 0.000 0.231 173 N C -0.486 174.943 175.510 -0.135 0.000 1.134 173 N CA -0.043 52.878 53.050 -0.215 0.000 0.856 173 N CB 0.144 38.403 38.487 -0.379 0.000 1.068 173 N HN 0.320 nan 8.380 nan 0.000 0.510 174 N N -0.037 118.606 118.700 -0.095 0.000 2.782 174 N HA -0.144 4.596 4.740 -0.001 0.000 0.251 174 N C -0.748 174.734 175.510 -0.046 0.000 1.101 174 N CA 0.387 53.401 53.050 -0.060 0.000 0.764 174 N CB -1.334 37.122 38.487 -0.052 0.000 1.122 174 N HN 0.011 nan 8.380 nan 0.000 0.561 175 V N 1.073 120.955 119.914 -0.054 0.000 2.432 175 V HA 0.239 4.358 4.120 -0.001 0.000 0.275 175 V C 0.738 176.830 176.094 -0.005 0.000 1.043 175 V CA -0.350 61.934 62.300 -0.026 0.000 0.925 175 V CB 1.801 33.606 31.823 -0.030 0.000 0.985 175 V HN 0.148 nan 8.190 nan 0.000 0.466 176 S N 3.990 119.699 115.700 0.015 0.000 2.548 176 S HA 0.398 4.867 4.470 -0.001 0.000 0.277 176 S C -0.181 174.443 174.600 0.040 0.000 1.315 176 S CA -0.400 57.820 58.200 0.033 0.000 1.050 176 S CB 1.151 64.382 63.200 0.052 0.000 0.918 176 S HN 0.494 nan 8.310 nan 0.000 0.497 177 V N 4.762 124.704 119.914 0.047 0.000 2.326 177 V HA 0.315 4.434 4.120 -0.001 0.000 0.281 177 V C -0.407 175.732 176.094 0.075 0.000 1.015 177 V CA -0.662 61.675 62.300 0.063 0.000 0.823 177 V CB 1.297 33.163 31.823 0.072 0.000 1.009 177 V HN 0.638 nan 8.190 nan 0.000 0.436 178 V N 4.287 124.247 119.914 0.076 0.000 2.350 178 V HA 0.395 4.515 4.120 -0.001 0.000 0.276 178 V C 0.011 176.155 176.094 0.084 0.000 1.028 178 V CA -0.321 62.026 62.300 0.079 0.000 0.860 178 V CB 1.414 33.278 31.823 0.069 0.000 0.990 178 V HN 0.959 nan 8.190 nan 0.000 0.453 179 C N 5.225 124.577 119.300 0.088 0.000 2.455 179 C HA 0.847 5.306 4.460 -0.001 0.000 0.320 179 C C 0.768 175.800 174.990 0.070 0.000 1.226 179 C CA -0.593 58.478 59.018 0.089 0.000 1.569 179 C CB 0.761 28.565 27.740 0.108 0.000 2.200 179 C HN 1.041 nan 8.230 nan 0.000 0.491 180 A N 4.029 126.887 122.820 0.064 0.000 2.477 180 A HA 0.551 4.870 4.320 -0.001 0.000 0.246 180 A C 0.516 178.112 177.584 0.019 0.000 1.078 180 A CA 0.357 52.418 52.037 0.041 0.000 0.770 180 A CB 0.145 19.167 19.000 0.037 0.000 1.011 180 A HN 1.781 nan 8.150 nan 0.000 0.494 181 A N 2.892 125.714 122.820 0.003 0.000 2.404 181 A HA 0.534 4.853 4.320 -0.001 0.000 0.273 181 A C 1.012 178.568 177.584 -0.046 0.000 1.144 181 A CA 0.204 52.230 52.037 -0.019 0.000 0.806 181 A CB -0.421 18.567 19.000 -0.020 0.000 1.080 181 A HN 1.759 nan 8.150 nan 0.000 0.509 182 G N 2.962 111.734 108.800 -0.048 0.000 2.474 182 G HA2 0.244 4.204 3.960 -0.001 0.000 0.233 182 G HA3 0.244 4.204 3.960 -0.001 0.000 0.233 182 G C 0.487 175.330 174.900 -0.095 0.000 1.278 182 G CA 0.042 45.082 45.100 -0.100 0.000 0.861 182 G HN 1.057 nan 8.290 nan 0.000 0.567 193 E N -0.579 119.489 120.200 -0.220 0.000 5.289 193 E HA -0.277 4.072 4.350 -0.001 0.000 0.167 193 E C -0.163 176.078 176.600 -0.599 0.000 1.276 193 E CA 2.336 58.490 56.400 -0.410 0.000 2.067 193 E CB -0.930 28.497 29.700 -0.455 0.000 1.871 193 E HN 0.369 nan 8.360 nan 0.000 0.359 194 F N -1.009 118.838 119.950 -0.172 0.000 2.654 194 F HA 0.504 5.031 4.527 -0.001 0.000 0.303 194 F C 1.537 177.215 175.800 -0.203 0.000 1.099 194 F CA 0.424 58.326 58.000 -0.163 0.000 1.270 194 F CB 0.443 39.378 39.000 -0.108 0.000 1.024 194 F HN 0.191 nan 8.300 nan 0.000 0.548 195 A N -0.803 121.902 122.820 -0.192 0.000 1.969 195 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 195 A C 0.126 177.350 177.584 -0.601 0.000 1.169 195 A CA 1.269 53.037 52.037 -0.449 0.000 0.635 195 A CB -0.672 17.902 19.000 -0.711 0.000 0.810 195 A HN 0.279 nan 8.150 nan 0.000 0.445 196 Y N -1.405 118.792 120.300 -0.171 0.000 2.377 196 Y HA 0.417 4.967 4.550 -0.000 0.000 0.339 196 Y C -1.746 174.237 175.900 0.140 0.000 1.011 196 Y CA -2.342 55.644 58.100 -0.190 0.000 1.093 196 Y CB 1.406 39.706 38.460 -0.268 0.000 1.201 196 Y HN 0.031 nan 8.280 nan 0.000 0.455 197 P HA 0.053 nan 4.420 nan 0.000 0.255 197 P C 0.866 178.222 177.300 0.093 0.000 1.248 197 P CA 0.726 63.963 63.100 0.228 0.000 0.807 197 P CB 0.280 32.227 31.700 0.412 0.000 1.150 198 A N 1.144 123.981 122.820 0.027 0.000 2.024 198 A HA -0.079 4.241 4.320 -0.001 0.000 0.220 198 A C 2.313 179.858 177.584 -0.065 0.000 1.164 198 A CA 1.921 53.958 52.037 0.001 0.000 0.643 198 A CB -1.302 17.693 19.000 -0.009 0.000 0.806 198 A HN 0.268 nan 8.150 nan 0.000 0.451 199 A N -1.869 120.808 122.820 -0.237 0.000 2.119 199 A HA 0.256 4.575 4.320 -0.001 0.000 0.216 199 A C 0.544 178.101 177.584 -0.045 0.000 1.152 199 A CA 0.015 51.901 52.037 -0.251 0.000 0.708 199 A CB -0.347 18.297 19.000 -0.592 0.000 0.805 199 A HN 0.396 nan 8.150 nan 0.000 0.460 200 Y N 0.400 120.724 120.300 0.041 0.000 2.511 200 Y HA 0.062 4.612 4.550 -0.000 0.000 0.332 200 Y C 1.502 177.438 175.900 0.059 0.000 1.177 200 Y CA -0.247 57.873 58.100 0.034 0.000 1.422 200 Y CB 0.172 38.643 38.460 0.018 0.000 1.271 200 Y HN 0.335 nan 8.280 nan 0.000 0.550 201 N N 1.776 120.643 118.700 0.280 0.000 2.223 201 N HA -0.180 4.559 4.740 -0.001 0.000 0.185 201 N C 1.331 176.888 175.510 0.077 0.000 1.016 201 N CA 1.524 54.663 53.050 0.148 0.000 0.863 201 N CB 0.151 38.718 38.487 0.135 0.000 0.983 201 N HN 0.669 nan 8.380 nan 0.000 0.429 202 E N -0.472 119.792 120.200 0.107 0.000 2.482 202 E HA 0.001 4.350 4.350 -0.001 0.000 0.196 202 E C 0.121 176.722 176.600 0.002 0.000 1.047 202 E CA 0.070 56.480 56.400 0.017 0.000 0.869 202 E CB -0.198 29.514 29.700 0.020 0.000 0.836 202 E HN 0.104 nan 8.360 nan 0.000 0.520 203 V N 2.250 122.206 119.914 0.070 0.000 2.686 203 V HA 0.159 4.279 4.120 -0.001 0.000 0.295 203 V C 0.623 176.737 176.094 0.034 0.000 1.057 203 V CA -0.577 61.770 62.300 0.077 0.000 1.012 203 V CB 1.399 33.310 31.823 0.148 0.000 1.006 203 V HN 0.096 nan 8.190 nan 0.000 0.477 204 I N 4.263 124.866 120.570 0.054 0.000 2.308 204 I HA 0.389 4.559 4.170 -0.001 0.000 0.293 204 I C 0.602 176.776 176.117 0.095 0.000 1.078 204 I CA 0.125 61.483 61.300 0.097 0.000 1.292 204 I CB 0.736 38.825 38.000 0.148 0.000 1.423 204 I HN 0.663 nan 8.210 nan 0.000 0.493 205 A N 7.130 130.004 122.820 0.089 0.000 2.274 205 A HA 0.672 4.992 4.320 -0.001 0.000 0.309 205 A C -0.357 177.264 177.584 0.062 0.000 1.226 205 A CA -0.418 51.659 52.037 0.066 0.000 0.853 205 A CB 0.758 19.784 19.000 0.044 0.000 1.146 205 A HN 0.474 nan 8.150 nan 0.000 0.518 206 V N 2.896 122.841 119.914 0.051 0.000 2.409 206 V HA 0.653 4.772 4.120 -0.001 0.000 0.291 206 V C 0.894 177.005 176.094 0.027 0.000 1.020 206 V CA -0.105 62.221 62.300 0.044 0.000 0.848 206 V CB 1.346 33.199 31.823 0.051 0.000 0.990 206 V HN 1.102 nan 8.190 nan 0.000 0.430 207 G N 2.790 111.601 108.800 0.019 0.000 2.511 207 G HA2 0.769 4.729 3.960 -0.001 0.000 0.316 207 G HA3 0.769 4.729 3.960 -0.001 0.000 0.316 207 G C -0.596 174.308 174.900 0.006 0.000 1.210 207 G CA -0.290 44.810 45.100 0.000 0.000 0.969 207 G HN 1.079 nan 8.290 nan 0.000 0.492 208 A N -0.839 121.971 122.820 -0.016 0.000 2.355 208 A HA 0.827 5.146 4.320 -0.001 0.000 0.324 208 A C -0.128 177.431 177.584 -0.041 0.000 1.117 208 A CA -0.344 51.684 52.037 -0.015 0.000 0.785 208 A CB 1.619 20.604 19.000 -0.025 0.000 1.254 208 A HN 1.935 nan 8.150 nan 0.000 0.453 209 V N -0.533 119.370 119.914 -0.019 0.000 3.158 209 V HA 0.860 4.980 4.120 -0.001 0.000 0.311 209 V C -0.600 175.423 176.094 -0.119 0.000 1.181 209 V CA -0.625 61.644 62.300 -0.052 0.000 1.054 209 V CB 1.758 33.593 31.823 0.020 0.000 1.085 209 V HN 0.990 nan 8.190 nan 0.000 0.446 210 D N -0.457 119.859 120.400 -0.140 0.000 2.539 210 D HA 0.380 5.019 4.640 -0.001 0.000 0.276 210 D C 0.450 176.614 176.300 -0.226 0.000 1.206 210 D CA -0.632 53.225 54.000 -0.239 0.000 1.081 210 D CB 0.348 41.067 40.800 -0.135 0.000 1.142 210 D HN 0.310 nan 8.370 nan 0.000 0.595 211 F N -0.473 119.461 119.950 -0.027 0.000 2.502 211 F HA 0.039 4.566 4.527 -0.001 0.000 0.298 211 F C 1.427 177.176 175.800 -0.086 0.000 1.111 211 F CA 0.531 58.499 58.000 -0.052 0.000 1.445 211 F CB -0.344 38.640 39.000 -0.027 0.000 1.081 211 F HN 0.245 nan 8.300 nan 0.000 0.558 212 D N 0.218 120.665 120.400 0.078 0.000 2.340 212 D HA 0.100 4.740 4.640 -0.001 0.000 0.220 212 D C 0.964 177.242 176.300 -0.038 0.000 1.039 212 D CA 0.317 54.326 54.000 0.015 0.000 0.866 212 D CB -0.124 40.690 40.800 0.024 0.000 0.913 212 D HN 0.225 nan 8.370 nan 0.000 0.523 213 L N 0.016 121.189 121.223 -0.084 0.000 3.597 213 L HA -0.298 4.042 4.340 -0.001 0.000 0.440 213 L C 0.135 177.053 176.870 0.079 0.000 1.277 213 L CA 0.659 55.434 54.840 -0.108 0.000 0.852 213 L CB -1.901 39.995 42.059 -0.271 0.000 1.708 213 L HN 0.065 nan 8.230 nan 0.000 0.885 214 R N -0.031 120.501 120.500 0.053 0.000 2.782 214 R HA 0.906 5.246 4.340 -0.001 0.000 0.258 214 R C -0.013 176.255 176.300 -0.054 0.000 1.055 214 R CA -1.034 55.126 56.100 0.099 0.000 1.065 214 R CB 1.531 31.884 30.300 0.087 0.000 1.172 214 R HN 0.069 nan 8.270 nan 0.000 0.510 225 I N -0.716 119.871 120.570 0.028 0.000 2.525 225 I HA 0.495 4.665 4.170 -0.001 0.000 0.301 225 I C -0.088 176.071 176.117 0.069 0.000 0.992 225 I CA -0.198 61.126 61.300 0.041 0.000 1.162 225 I CB 1.679 39.693 38.000 0.024 0.000 1.332 225 I HN 0.318 nan 8.210 nan 0.000 0.458 226 D N 4.600 125.056 120.400 0.094 0.000 2.355 226 D HA 0.353 4.992 4.640 -0.001 0.000 0.206 226 D C 0.425 176.776 176.300 0.085 0.000 1.010 226 D CA 0.936 55.018 54.000 0.137 0.000 0.875 226 D CB 1.814 42.764 40.800 0.250 0.000 0.966 226 D HN 0.568 nan 8.370 nan 0.000 0.512 227 I N 0.473 121.079 120.570 0.061 0.000 2.800 227 I HA 0.086 4.256 4.170 -0.001 0.000 0.294 227 I C -1.887 174.244 176.117 0.023 0.000 1.538 227 I CA -0.828 60.488 61.300 0.028 0.000 1.010 227 I CB 2.227 40.225 38.000 -0.004 0.000 1.381 227 I HN -0.280 nan 8.210 nan 0.000 0.462 228 V N 3.353 123.280 119.914 0.022 0.000 2.628 228 V HA 1.052 5.172 4.120 -0.001 0.000 0.306 228 V C -0.350 175.719 176.094 -0.042 0.000 1.045 228 V CA -0.020 62.304 62.300 0.040 0.000 0.905 228 V CB 1.162 33.049 31.823 0.106 0.000 0.997 228 V HN 0.961 nan 8.190 nan 0.000 0.436 229 A N 4.258 127.062 122.820 -0.026 0.000 2.530 229 A HA 1.041 5.361 4.320 -0.001 0.000 0.288 229 A C -3.162 174.428 177.584 0.011 0.000 1.172 229 A CA -2.075 49.883 52.037 -0.131 0.000 0.733 229 A CB 1.745 20.664 19.000 -0.135 0.000 1.320 229 A HN 0.718 nan 8.150 nan 0.000 0.419 230 P HA 0.346 nan 4.420 nan 0.000 0.271 230 P C 0.508 177.735 177.300 -0.121 0.000 1.216 230 P CA 0.627 63.631 63.100 -0.160 0.000 0.771 230 P CB 0.954 32.499 31.700 -0.258 0.000 0.864 231 G N 1.266 109.989 108.800 -0.129 0.000 3.738 231 G HA2 0.187 4.147 3.960 -0.001 0.000 0.241 231 G HA3 0.187 4.147 3.960 -0.001 0.000 0.241 231 G C -0.617 174.234 174.900 -0.081 0.000 1.068 231 G CA 0.083 45.166 45.100 -0.028 0.000 0.899 231 G HN 0.396 nan 8.290 nan 0.000 0.519 232 V N 1.343 121.122 119.914 -0.225 0.000 2.334 232 V HA 0.668 4.788 4.120 -0.001 0.000 0.281 232 V C 0.951 176.931 176.094 -0.191 0.000 1.016 232 V CA 0.196 62.382 62.300 -0.191 0.000 0.832 232 V CB 0.633 32.343 31.823 -0.188 0.000 0.999 232 V HN 0.850 nan 8.190 nan 0.000 0.439 233 G N 5.635 114.425 108.800 -0.016 0.000 2.401 233 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.283 233 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.283 233 G C -0.376 174.648 174.900 0.208 0.000 1.117 233 G CA -0.472 44.688 45.100 0.100 0.000 1.051 233 G HN 0.494 nan 8.290 nan 0.000 0.510 234 I N 0.128 120.816 120.570 0.196 0.000 2.321 234 I HA 0.362 4.532 4.170 -0.001 0.000 0.291 234 I C 0.624 176.921 176.117 0.300 0.000 0.998 234 I CA -0.799 60.678 61.300 0.295 0.000 1.227 234 I CB 1.357 39.554 38.000 0.328 0.000 1.368 234 I HN 0.113 nan 8.210 nan 0.000 0.466 235 K N 3.858 124.395 120.400 0.229 0.000 2.227 235 K HA 0.536 4.855 4.320 -0.001 0.000 0.280 235 K C -0.062 176.557 176.600 0.031 0.000 1.041 235 K CA -0.074 56.303 56.287 0.151 0.000 0.905 235 K CB 1.537 34.091 32.500 0.090 0.000 1.068 235 K HN 0.663 nan 8.250 nan 0.000 0.470 236 S N 0.765 116.436 115.700 -0.050 0.000 2.819 236 S HA 0.379 4.849 4.470 -0.001 0.000 0.299 236 S C -0.984 173.651 174.600 0.058 0.000 1.192 236 S CA -0.830 57.235 58.200 -0.225 0.000 0.847 236 S CB 0.801 63.489 63.200 -0.853 0.000 1.224 236 S HN 0.663 nan 8.310 nan 0.000 0.537 237 T N 0.358 114.894 114.554 -0.029 0.000 2.903 237 T HA 0.487 4.837 4.350 -0.001 0.000 0.314 237 T C -0.715 174.046 174.700 0.102 0.000 1.078 237 T CA 0.236 62.303 62.100 -0.055 0.000 1.114 237 T CB 0.368 68.919 68.868 -0.528 0.000 0.987 237 T HN 0.552 nan 8.240 nan 0.000 0.548 238 Y N -0.166 120.095 120.300 -0.066 0.000 2.829 238 Y HA 0.526 5.076 4.550 -0.001 0.000 0.322 238 Y C -0.327 175.608 175.900 0.059 0.000 1.357 238 Y CA -1.685 56.434 58.100 0.033 0.000 1.081 238 Y CB 1.095 39.610 38.460 0.091 0.000 1.339 238 Y HN 0.748 nan 8.280 nan 0.000 0.469 239 L N 1.869 122.900 121.223 -0.320 0.000 2.472 239 L HA 0.037 4.377 4.340 -0.001 0.000 0.273 239 L C -0.047 176.817 176.870 -0.009 0.000 1.254 239 L CA 0.555 55.292 54.840 -0.171 0.000 0.823 239 L CB 0.011 41.922 42.059 -0.247 0.000 1.096 239 L HN 0.718 nan 8.230 nan 0.000 0.521 240 D N 0.802 121.179 120.400 -0.037 0.000 2.697 240 D HA -0.171 4.468 4.640 -0.001 0.000 0.235 240 D C 0.388 176.615 176.300 -0.122 0.000 1.167 240 D CA 1.040 55.008 54.000 -0.055 0.000 0.656 240 D CB -1.026 39.763 40.800 -0.019 0.000 1.025 240 D HN 0.764 nan 8.370 nan 0.000 0.419 241 S N -2.505 113.073 115.700 -0.204 0.000 3.549 241 S HA -0.128 4.341 4.470 -0.001 0.000 0.366 241 S C 0.846 175.118 174.600 -0.546 0.000 1.012 241 S CA 0.847 58.705 58.200 -0.571 0.000 1.141 241 S CB -1.307 61.628 63.200 -0.443 0.000 0.910 241 S HN 0.886 nan 8.310 nan 0.000 0.471 242 G N -0.694 107.920 108.800 -0.310 0.000 3.211 242 G HA2 0.769 4.729 3.960 -0.001 0.000 0.262 242 G HA3 0.769 4.729 3.960 -0.001 0.000 0.262 242 G C -1.273 173.296 174.900 -0.552 0.000 1.352 242 G CA -0.949 43.916 45.100 -0.391 0.000 1.004 242 G HN 0.252 nan 8.290 nan 0.000 0.559 243 Y N -1.227 119.221 120.300 0.246 0.000 2.534 243 Y HA 0.732 5.282 4.550 -0.001 0.000 0.345 243 Y C 0.276 176.221 175.900 0.075 0.000 1.031 243 Y CA -0.853 57.360 58.100 0.188 0.000 1.022 243 Y CB 2.411 40.944 38.460 0.122 0.000 1.292 243 Y HN 0.809 nan 8.280 nan 0.000 0.459 244 A N 1.222 124.163 122.820 0.203 0.000 2.498 244 A HA 0.675 4.994 4.320 -0.001 0.000 0.298 244 A C -1.435 176.243 177.584 0.156 0.000 1.075 244 A CA -0.872 51.155 52.037 -0.017 0.000 0.714 244 A CB 1.830 20.519 19.000 -0.519 0.000 1.299 244 A HN 0.743 nan 8.150 nan 0.000 0.407 245 E N 1.525 121.778 120.200 0.087 0.000 2.156 245 E HA 0.632 4.982 4.350 -0.001 0.000 0.279 245 E C -1.556 175.082 176.600 0.064 0.000 0.965 245 E CA -0.340 56.140 56.400 0.133 0.000 0.789 245 E CB 0.739 30.499 29.700 0.101 0.000 1.098 245 E HN 0.574 nan 8.360 nan 0.000 0.397 246 L N 3.124 124.384 121.223 0.061 0.000 2.410 246 L HA 0.445 4.785 4.340 -0.001 0.000 0.270 246 L C -0.875 176.006 176.870 0.018 0.000 0.983 246 L CA -0.882 53.929 54.840 -0.048 0.000 0.822 246 L CB 2.304 44.116 42.059 -0.411 0.000 1.285 246 L HN 0.502 nan 8.230 nan 0.000 0.409 247 S N 1.239 116.967 115.700 0.046 0.000 2.473 247 S HA 0.952 5.422 4.470 -0.001 0.000 0.307 247 S C 0.008 174.639 174.600 0.052 0.000 1.094 247 S CA -0.622 57.598 58.200 0.033 0.000 1.070 247 S CB 2.127 65.336 63.200 0.014 0.000 1.019 247 S HN 0.988 nan 8.310 nan 0.000 0.480 248 G N 0.975 109.792 108.800 0.029 0.000 2.336 248 G HA2 0.293 4.253 3.960 -0.001 0.000 0.300 248 G HA3 0.293 4.253 3.960 -0.001 0.000 0.300 248 G C 0.070 174.977 174.900 0.011 0.000 1.375 248 G CA -0.450 44.667 45.100 0.028 0.000 0.885 248 G HN 0.404 nan 8.290 nan 0.000 0.599 249 T N 0.989 115.535 114.554 -0.013 0.000 2.896 249 T HA 0.156 4.506 4.350 -0.001 0.000 0.263 249 T C 2.668 177.377 174.700 0.015 0.000 1.050 249 T CA 2.162 64.252 62.100 -0.016 0.000 1.140 249 T CB -0.310 68.526 68.868 -0.053 0.000 0.877 249 T HN 1.298 nan 8.240 nan 0.000 0.457 250 A N 0.776 123.607 122.820 0.017 0.000 2.234 250 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 250 A C 1.915 179.559 177.584 0.099 0.000 1.167 250 A CA 1.113 53.189 52.037 0.066 0.000 0.698 250 A CB -0.640 18.399 19.000 0.064 0.000 0.779 250 A HN 0.349 nan 8.150 nan 0.000 0.475 251 M N -1.504 118.142 119.600 0.077 0.000 2.509 251 M HA 0.264 4.744 4.480 -0.001 0.000 0.250 251 M C 2.087 178.489 176.300 0.170 0.000 1.132 251 M CA 0.936 56.294 55.300 0.096 0.000 1.080 251 M CB -0.114 32.544 32.600 0.096 0.000 1.408 251 M HN 0.387 nan 8.290 nan 0.000 0.484 252 A N -0.328 122.588 122.820 0.160 0.000 1.878 252 A HA 0.226 4.545 4.320 -0.001 0.000 0.213 252 A C 2.307 180.022 177.584 0.218 0.000 1.192 252 A CA 1.362 53.541 52.037 0.237 0.000 0.619 252 A CB -0.998 18.066 19.000 0.106 0.000 0.837 252 A HN 0.390 nan 8.150 nan 0.000 0.446 253 A N 0.411 123.294 122.820 0.105 0.000 1.940 253 A HA -0.042 4.278 4.320 -0.001 0.000 0.219 253 A C 0.130 177.738 177.584 0.040 0.000 1.176 253 A CA 1.902 53.982 52.037 0.072 0.000 0.631 253 A CB -1.666 17.372 19.000 0.064 0.000 0.814 253 A HN 0.438 nan 8.150 nan 0.000 0.446 254 P HA -0.159 nan 4.420 nan 0.000 0.216 254 P C 0.681 177.912 177.300 -0.116 0.000 1.150 254 P CA 1.616 64.653 63.100 -0.104 0.000 0.837 254 P CB -0.252 31.326 31.700 -0.203 0.000 0.786 255 H N -1.611 117.472 119.070 0.021 0.000 2.422 255 H HA -0.081 4.474 4.556 -0.001 0.000 0.298 255 H C 1.776 177.104 175.328 -0.001 0.000 1.098 255 H CA 0.985 57.041 56.048 0.014 0.000 1.315 255 H CB -0.880 28.884 29.762 0.003 0.000 1.382 255 H HN -0.052 nan 8.280 nan 0.000 0.523 256 V N 0.529 120.509 119.914 0.109 0.000 2.379 256 V HA -0.196 3.924 4.120 -0.001 0.000 0.245 256 V C 2.575 178.700 176.094 0.051 0.000 1.044 256 V CA 1.413 63.748 62.300 0.059 0.000 1.036 256 V CB -0.877 30.976 31.823 0.050 0.000 0.664 256 V HN 0.581 nan 8.190 nan 0.000 0.453 257 A N 0.755 123.601 122.820 0.043 0.000 1.883 257 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 257 A C 2.425 180.032 177.584 0.039 0.000 1.186 257 A CA 2.122 54.181 52.037 0.037 0.000 0.624 257 A CB -1.335 17.678 19.000 0.022 0.000 0.822 257 A HN 0.518 nan 8.150 nan 0.000 0.444 258 G N -0.479 108.344 108.800 0.038 0.000 2.459 258 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.217 258 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.217 258 G C 1.806 176.753 174.900 0.079 0.000 1.183 258 G CA 1.757 46.893 45.100 0.060 0.000 0.776 258 G HN 0.882 nan 8.290 nan 0.000 0.552 259 A N 0.594 123.458 122.820 0.073 0.000 1.917 259 A HA -0.005 4.314 4.320 -0.001 0.000 0.219 259 A C 2.477 180.094 177.584 0.055 0.000 1.182 259 A CA 1.558 53.631 52.037 0.060 0.000 0.633 259 A CB -0.497 18.520 19.000 0.028 0.000 0.819 259 A HN 0.375 nan 8.150 nan 0.000 0.448 260 L N -0.854 120.400 121.223 0.050 0.000 2.042 260 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 260 L C 3.108 180.009 176.870 0.053 0.000 1.076 260 L CA 1.164 56.034 54.840 0.049 0.000 0.749 260 L CB -0.562 41.528 42.059 0.051 0.000 0.893 260 L HN 0.459 nan 8.230 nan 0.000 0.432 261 A N 0.261 123.114 122.820 0.056 0.000 1.902 261 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 261 A C 2.218 179.843 177.584 0.068 0.000 1.181 261 A CA 1.526 53.597 52.037 0.057 0.000 0.623 261 A CB -0.725 18.306 19.000 0.052 0.000 0.818 261 A HN 0.405 nan 8.150 nan 0.000 0.443 262 L N -0.565 120.711 121.223 0.088 0.000 2.083 262 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 262 L C 2.449 179.367 176.870 0.080 0.000 1.083 262 L CA 1.051 55.953 54.840 0.103 0.000 0.752 262 L CB -0.701 41.440 42.059 0.137 0.000 0.899 262 L HN 0.356 nan 8.230 nan 0.000 0.433 263 I N 0.144 120.752 120.570 0.064 0.000 2.233 263 I HA -0.262 3.908 4.170 -0.001 0.000 0.243 263 I C 2.567 178.719 176.117 0.058 0.000 1.093 263 I CA 1.476 62.809 61.300 0.055 0.000 1.380 263 I CB -0.269 37.755 38.000 0.039 0.000 1.067 263 I HN 0.169 nan 8.210 nan 0.000 0.413 264 I N 1.165 121.765 120.570 0.051 0.000 2.151 264 I HA -0.358 3.812 4.170 -0.001 0.000 0.243 264 I C 2.299 178.448 176.117 0.055 0.000 1.080 264 I CA 1.578 62.906 61.300 0.046 0.000 1.339 264 I CB -0.616 37.407 38.000 0.039 0.000 1.039 264 I HN 0.324 nan 8.210 nan 0.000 0.409 265 N N 0.988 119.723 118.700 0.058 0.000 2.039 265 N HA -0.166 4.574 4.740 -0.001 0.000 0.193 265 N C 1.814 177.366 175.510 0.070 0.000 1.044 265 N CA 1.684 54.770 53.050 0.060 0.000 0.847 265 N CB -0.657 37.866 38.487 0.060 0.000 1.030 265 N HN 0.367 nan 8.380 nan 0.000 0.422 266 L N -1.154 120.115 121.223 0.076 0.000 2.141 266 L HA 0.246 4.585 4.340 -0.001 0.000 0.209 266 L C 1.996 178.927 176.870 0.100 0.000 1.094 266 L CA 1.674 56.561 54.840 0.078 0.000 0.763 266 L CB -0.956 41.146 42.059 0.071 0.000 0.908 266 L HN 0.012 nan 8.230 nan 0.000 0.437 267 A N -0.018 122.875 122.820 0.123 0.000 1.898 267 A HA -0.074 4.245 4.320 -0.001 0.000 0.214 267 A C 2.200 179.940 177.584 0.260 0.000 1.183 267 A CA 1.277 53.440 52.037 0.209 0.000 0.622 267 A CB -0.569 18.531 19.000 0.167 0.000 0.824 267 A HN 0.576 nan 8.150 nan 0.000 0.444 268 E N -0.637 119.652 120.200 0.147 0.000 2.338 268 E HA -0.158 4.192 4.350 -0.001 0.000 0.197 268 E C 1.203 177.880 176.600 0.127 0.000 1.007 268 E CA 0.914 57.391 56.400 0.127 0.000 0.849 268 E CB -0.021 29.719 29.700 0.067 0.000 0.774 268 E HN 0.668 nan 8.360 nan 0.000 0.506 269 D N 0.258 120.724 120.400 0.110 0.000 2.197 269 D HA 0.009 4.648 4.640 -0.001 0.000 0.212 269 D C 1.950 178.291 176.300 0.069 0.000 0.963 269 D CA 1.169 55.216 54.000 0.078 0.000 0.864 269 D CB 0.001 40.835 40.800 0.057 0.000 1.009 269 D HN 0.069 nan 8.370 nan 0.000 0.479 270 A N -0.213 122.648 122.820 0.069 0.000 1.903 270 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 270 A C 2.079 179.598 177.584 -0.109 0.000 1.191 270 A CA 1.458 53.478 52.037 -0.028 0.000 0.638 270 A CB -1.224 17.750 19.000 -0.043 0.000 0.823 270 A HN 0.363 nan 8.150 nan 0.000 0.451 271 F N -1.406 118.554 119.950 0.015 0.000 2.367 271 F HA 0.097 4.624 4.527 -0.001 0.000 0.298 271 F C 0.807 176.615 175.800 0.013 0.000 1.094 271 F CA 1.098 59.107 58.000 0.014 0.000 1.409 271 F CB 0.277 39.286 39.000 0.015 0.000 1.064 271 F HN 0.034 nan 8.300 nan 0.000 0.528 272 K N 1.171 121.667 120.400 0.160 0.000 3.125 272 K HA -0.224 4.095 4.320 -0.001 0.000 0.268 272 K C -0.268 176.391 176.600 0.098 0.000 1.078 272 K CA 0.472 56.818 56.287 0.097 0.000 0.775 272 K CB -1.469 31.067 32.500 0.059 0.000 1.253 272 K HN 0.470 nan 8.250 nan 0.000 0.486 273 R N -0.653 119.913 120.500 0.110 0.000 2.664 273 R HA 0.192 4.531 4.340 -0.001 0.000 0.260 273 R C -1.008 175.322 176.300 0.050 0.000 1.062 273 R CA -0.440 55.707 56.100 0.079 0.000 0.902 273 R CB 1.424 31.788 30.300 0.106 0.000 1.258 273 R HN 0.041 nan 8.270 nan 0.000 0.465 274 S N 2.925 118.637 115.700 0.019 0.000 2.549 274 S HA 0.297 4.766 4.470 -0.001 0.000 0.286 274 S C -0.093 174.486 174.600 -0.035 0.000 1.314 274 S CA -0.088 58.110 58.200 -0.002 0.000 1.062 274 S CB 0.256 63.452 63.200 -0.007 0.000 0.865 274 S HN 0.277 nan 8.310 nan 0.000 0.498 275 L N 3.036 124.227 121.223 -0.053 0.000 2.329 275 L HA 0.444 4.784 4.340 -0.001 0.000 0.279 275 L C 0.726 177.556 176.870 -0.066 0.000 1.014 275 L CA -0.735 54.044 54.840 -0.101 0.000 0.814 275 L CB 1.803 43.767 42.059 -0.158 0.000 1.257 275 L HN 0.697 nan 8.230 nan 0.000 0.424 276 S N 0.527 116.186 115.700 -0.069 0.000 2.608 276 S HA 0.036 4.505 4.470 -0.001 0.000 0.261 276 S C 0.980 175.563 174.600 -0.029 0.000 1.314 276 S CA -0.372 57.801 58.200 -0.045 0.000 0.992 276 S CB 1.144 64.319 63.200 -0.043 0.000 0.935 276 S HN 0.761 nan 8.310 nan 0.000 0.564 277 E N 0.850 121.038 120.200 -0.020 0.000 2.130 277 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 277 E C 1.786 178.404 176.600 0.029 0.000 0.998 277 E CA 2.039 58.439 56.400 -0.000 0.000 0.806 277 E CB -0.859 28.830 29.700 -0.017 0.000 0.738 277 E HN 0.832 nan 8.360 nan 0.000 0.459 278 T N 0.881 115.444 114.554 0.016 0.000 2.746 278 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 278 T C 1.651 176.395 174.700 0.074 0.000 1.039 278 T CA 1.579 63.711 62.100 0.053 0.000 1.142 278 T CB -0.145 68.738 68.868 0.025 0.000 0.866 278 T HN 0.319 nan 8.240 nan 0.000 0.444 279 E N 0.349 120.547 120.200 -0.003 0.000 2.152 279 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 279 E C 2.117 178.696 176.600 -0.036 0.000 0.983 279 E CA 0.462 56.826 56.400 -0.061 0.000 0.818 279 E CB -0.051 29.544 29.700 -0.175 0.000 0.758 279 E HN 0.308 nan 8.360 nan 0.000 0.467 280 I N 0.704 121.274 120.570 -0.000 0.000 2.179 280 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 280 I C 2.330 178.489 176.117 0.069 0.000 1.088 280 I CA 1.425 62.740 61.300 0.025 0.000 1.357 280 I CB -1.058 36.964 38.000 0.037 0.000 1.051 280 I HN 0.186 nan 8.210 nan 0.000 0.409 281 Y N 2.188 122.480 120.300 -0.014 0.000 2.165 281 Y HA -0.247 4.303 4.550 -0.001 0.000 0.286 281 Y C 2.567 178.467 175.900 0.001 0.000 1.155 281 Y CA 1.867 59.967 58.100 -0.001 0.000 1.164 281 Y CB -0.441 38.022 38.460 0.004 0.000 0.978 281 Y HN 0.129 nan 8.280 nan 0.000 0.513 282 A N 0.021 122.802 122.820 -0.066 0.000 1.978 282 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 282 A C 2.043 179.555 177.584 -0.120 0.000 1.170 282 A CA 1.769 53.725 52.037 -0.134 0.000 0.636 282 A CB -0.558 18.425 19.000 -0.028 0.000 0.810 282 A HN 0.546 nan 8.150 nan 0.000 0.448 283 Q N -1.080 118.681 119.800 -0.066 0.000 2.230 283 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 283 Q C 2.003 177.972 176.000 -0.051 0.000 0.963 283 Q CA 1.156 56.944 55.803 -0.025 0.000 0.866 283 Q CB -0.492 28.253 28.738 0.012 0.000 0.931 283 Q HN 0.635 nan 8.270 nan 0.000 0.452 284 L N 0.224 121.388 121.223 -0.097 0.000 2.068 284 L HA -0.062 4.277 4.340 -0.001 0.000 0.204 284 L C 2.075 178.857 176.870 -0.147 0.000 1.076 284 L CA 1.335 56.116 54.840 -0.099 0.000 0.753 284 L CB -0.566 41.447 42.059 -0.077 0.000 0.910 284 L HN 0.100 nan 8.230 nan 0.000 0.439 285 V N -1.144 118.613 119.914 -0.260 0.000 3.217 285 V HA -0.047 4.073 4.120 -0.001 0.000 0.264 285 V C 2.360 178.372 176.094 -0.137 0.000 1.135 285 V CA 1.215 63.373 62.300 -0.236 0.000 1.142 285 V CB -1.166 30.436 31.823 -0.367 0.000 0.754 285 V HN 0.682 nan 8.190 nan 0.000 0.484 286 R N 0.581 121.016 120.500 -0.109 0.000 2.313 286 R HA 0.177 4.516 4.340 -0.001 0.000 0.199 286 R C 1.593 177.869 176.300 -0.040 0.000 0.958 286 R CA 0.408 56.474 56.100 -0.057 0.000 1.047 286 R CB -0.174 30.108 30.300 -0.030 0.000 0.955 286 R HN 0.453 nan 8.270 nan 0.000 0.481 287 R N 0.693 121.162 120.500 -0.052 0.000 2.767 287 R HA 0.348 4.688 4.340 -0.001 0.000 0.377 287 R C -0.998 175.269 176.300 -0.055 0.000 1.151 287 R CA -0.067 56.008 56.100 -0.043 0.000 1.046 287 R CB 1.687 31.964 30.300 -0.039 0.000 1.404 287 R HN 0.176 nan 8.270 nan 0.000 0.580 288 A N 0.290 123.083 122.820 -0.045 0.000 2.343 288 A HA 0.532 4.852 4.320 -0.001 0.000 0.316 288 A C -0.381 177.216 177.584 0.021 0.000 1.104 288 A CA -0.514 51.505 52.037 -0.029 0.000 0.768 288 A CB 1.324 20.300 19.000 -0.039 0.000 1.213 288 A HN 0.080 nan 8.150 nan 0.000 0.456 289 T N 4.382 118.983 114.554 0.079 0.000 2.767 289 T HA 0.509 4.859 4.350 -0.001 0.000 0.284 289 T C -2.723 172.045 174.700 0.114 0.000 0.973 289 T CA -1.065 61.089 62.100 0.091 0.000 0.996 289 T CB 1.145 70.076 68.868 0.105 0.000 0.927 289 T HN 0.384 nan 8.240 nan 0.000 0.456 290 P HA 0.209 nan 4.420 nan 0.000 0.267 290 P C 0.406 177.732 177.300 0.044 0.000 1.205 290 P CA -0.062 63.078 63.100 0.066 0.000 0.765 290 P CB 0.383 32.102 31.700 0.032 0.000 0.828 291 I N 1.478 122.084 120.570 0.059 0.000 3.030 291 I HA 0.124 4.293 4.170 -0.001 0.000 0.270 291 I C 1.579 177.573 176.117 -0.204 0.000 1.211 291 I CA 0.789 62.071 61.300 -0.029 0.000 1.479 291 I CB -0.382 37.671 38.000 0.089 0.000 1.105 291 I HN 0.597 nan 8.210 nan 0.000 0.447 292 G N 0.700 109.398 108.800 -0.170 0.000 2.192 292 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.193 292 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.193 292 G C 0.137 174.867 174.900 -0.283 0.000 0.999 292 G CA -0.653 44.303 45.100 -0.241 0.000 0.659 292 G HN 0.126 nan 8.290 nan 0.000 0.503 293 F N 2.126 122.079 119.950 0.005 0.000 2.373 293 F HA 0.569 5.095 4.527 -0.001 0.000 0.302 293 F C 1.718 177.524 175.800 0.010 0.000 1.247 293 F CA 0.353 58.357 58.000 0.006 0.000 1.169 293 F CB 0.119 39.124 39.000 0.009 0.000 1.309 293 F HN 0.141 nan 8.300 nan 0.000 0.537 294 T N -1.142 113.556 114.554 0.240 0.000 2.898 294 T HA 0.371 4.721 4.350 -0.001 0.000 0.301 294 T C 1.067 175.837 174.700 0.117 0.000 1.049 294 T CA -0.347 61.831 62.100 0.130 0.000 1.095 294 T CB 1.077 70.002 68.868 0.095 0.000 0.976 294 T HN 0.713 nan 8.240 nan 0.000 0.539 295 A N 1.598 124.466 122.820 0.081 0.000 1.958 295 A HA -0.205 4.114 4.320 -0.001 0.000 0.221 295 A C 2.424 180.042 177.584 0.057 0.000 1.178 295 A CA 2.138 54.216 52.037 0.069 0.000 0.642 295 A CB -1.159 17.874 19.000 0.055 0.000 0.816 295 A HN 0.908 nan 8.150 nan 0.000 0.453 296 Q N -0.695 119.133 119.800 0.047 0.000 2.061 296 Q HA -0.089 4.251 4.340 -0.001 0.000 0.204 296 Q C 2.363 178.370 176.000 0.012 0.000 0.984 296 Q CA 2.232 58.051 55.803 0.026 0.000 0.846 296 Q CB -0.466 28.284 28.738 0.020 0.000 0.902 296 Q HN 0.697 nan 8.270 nan 0.000 0.421 297 A N 0.517 123.347 122.820 0.016 0.000 1.930 297 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 297 A C 1.729 179.289 177.584 -0.040 0.000 1.176 297 A CA 1.536 53.543 52.037 -0.050 0.000 0.632 297 A CB -0.255 18.677 19.000 -0.112 0.000 0.819 297 A HN 0.532 nan 8.150 nan 0.000 0.445 298 E N -1.940 118.290 120.200 0.051 0.000 2.514 298 E HA 0.402 4.751 4.350 -0.001 0.000 0.215 298 E C 1.124 177.773 176.600 0.080 0.000 0.946 298 E CA 0.470 56.922 56.400 0.086 0.000 1.038 298 E CB -0.201 29.622 29.700 0.206 0.000 1.069 298 E HN 0.633 nan 8.360 nan 0.000 0.503 299 G N 2.542 111.383 108.800 0.068 0.000 2.574 299 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.286 299 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.286 299 G C 0.519 175.459 174.900 0.067 0.000 1.212 299 G CA 0.300 45.440 45.100 0.066 0.000 0.979 299 G HN 0.304 nan 8.290 nan 0.000 0.557 300 N N 3.094 121.826 118.700 0.053 0.000 2.515 300 N HA 0.290 5.029 4.740 -0.001 0.000 0.185 300 N C 1.201 176.738 175.510 0.046 0.000 1.109 300 N CA 1.975 55.046 53.050 0.035 0.000 0.903 300 N CB 0.348 38.832 38.487 -0.004 0.000 0.969 300 N HN 1.757 nan 8.380 nan 0.000 0.450 301 G N 0.571 109.416 108.800 0.075 0.000 2.331 301 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.479 301 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.479 301 G C -1.449 173.537 174.900 0.144 0.000 1.262 301 G CA -0.927 44.246 45.100 0.123 0.000 1.029 301 G HN 0.088 nan 8.290 nan 0.000 0.487 302 F N 0.785 120.756 119.950 0.035 0.000 2.427 302 F HA 0.644 5.170 4.527 -0.001 0.000 0.352 302 F C 0.814 176.619 175.800 0.008 0.000 1.100 302 F CA -0.941 57.074 58.000 0.024 0.000 1.191 302 F CB 1.095 40.114 39.000 0.032 0.000 1.128 302 F HN 0.552 nan 8.300 nan 0.000 0.533 303 L N 6.761 127.556 121.223 -0.714 0.000 2.745 303 L HA 0.102 4.442 4.340 -0.001 0.000 0.273 303 L C -0.027 176.553 176.870 -0.484 0.000 1.156 303 L CA 0.732 55.242 54.840 -0.551 0.000 0.982 303 L CB -0.629 41.123 42.059 -0.512 0.000 1.295 303 L HN 0.741 nan 8.230 nan 0.000 0.483 304 T N 2.590 117.055 114.554 -0.149 0.000 2.991 304 T HA 0.329 4.679 4.350 -0.001 0.000 0.347 304 T C 1.177 175.855 174.700 -0.038 0.000 1.122 304 T CA -0.678 61.408 62.100 -0.022 0.000 1.062 304 T CB 0.361 69.280 68.868 0.085 0.000 1.043 304 T HN 0.523 nan 8.240 nan 0.000 0.491 305 L N 1.373 122.564 121.223 -0.054 0.000 2.265 305 L HA 0.019 4.359 4.340 -0.001 0.000 0.215 305 L C 1.736 178.588 176.870 -0.031 0.000 1.117 305 L CA 1.165 55.977 54.840 -0.046 0.000 0.782 305 L CB -0.019 42.008 42.059 -0.053 0.000 0.914 305 L HN 0.628 nan 8.230 nan 0.000 0.441 306 D N -0.961 119.421 120.400 -0.030 0.000 2.388 306 D HA 0.005 4.644 4.640 -0.001 0.000 0.221 306 D C 1.805 178.095 176.300 -0.018 0.000 1.133 306 D CA 0.013 53.998 54.000 -0.025 0.000 0.831 306 D CB 0.302 41.081 40.800 -0.035 0.000 0.962 306 D HN 0.105 nan 8.370 nan 0.000 0.502 307 L N -0.173 121.041 121.223 -0.015 0.000 2.046 307 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 307 L C 1.734 178.592 176.870 -0.021 0.000 1.077 307 L CA 1.109 55.941 54.840 -0.014 0.000 0.747 307 L CB -0.139 41.914 42.059 -0.011 0.000 0.896 307 L HN 0.022 nan 8.230 nan 0.000 0.432 308 V N 0.041 119.945 119.914 -0.017 0.000 2.287 308 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 308 V C 2.543 178.622 176.094 -0.024 0.000 1.053 308 V CA 1.800 64.089 62.300 -0.017 0.000 1.027 308 V CB -0.623 31.198 31.823 -0.003 0.000 0.646 308 V HN 0.469 nan 8.190 nan 0.000 0.447 309 E N 0.029 120.217 120.200 -0.019 0.000 2.153 309 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 309 E C 2.392 178.976 176.600 -0.026 0.000 0.988 309 E CA 0.999 57.387 56.400 -0.019 0.000 0.811 309 E CB -0.236 29.455 29.700 -0.015 0.000 0.746 309 E HN 0.571 nan 8.360 nan 0.000 0.466 310 R N 0.403 120.886 120.500 -0.029 0.000 2.093 310 R HA 0.018 4.358 4.340 -0.001 0.000 0.224 310 R C 2.598 178.867 176.300 -0.052 0.000 1.101 310 R CA 0.967 57.046 56.100 -0.034 0.000 0.979 310 R CB -0.256 30.027 30.300 -0.028 0.000 0.877 310 R HN 0.262 nan 8.270 nan 0.000 0.441 311 I N -1.242 119.289 120.570 -0.064 0.000 2.761 311 I HA 0.036 4.206 4.170 -0.001 0.000 0.261 311 I C 0.318 176.351 176.117 -0.140 0.000 1.198 311 I CA 0.315 61.551 61.300 -0.107 0.000 1.482 311 I CB -0.494 37.439 38.000 -0.111 0.000 1.100 311 I HN -0.239 nan 8.210 nan 0.000 0.445 312 T N 3.058 117.560 114.554 -0.087 0.000 2.866 312 T HA 0.226 4.576 4.350 -0.001 0.000 0.293 312 T C 1.263 175.930 174.700 -0.056 0.000 1.005 312 T CA 1.195 63.257 62.100 -0.063 0.000 1.162 312 T CB 0.408 69.263 68.868 -0.023 0.000 0.968 312 T HN 0.789 nan 8.240 nan 0.000 0.530 313 G N 3.107 111.893 108.800 -0.023 0.000 2.162 313 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.260 313 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.260 313 G C 0.122 175.005 174.900 -0.028 0.000 0.976 313 G CA -0.348 44.832 45.100 0.132 0.000 0.655 313 G HN 0.661 nan 8.290 nan 0.000 0.533 314 Q N -0.146 119.418 119.800 -0.393 0.000 2.389 314 Q HA 0.615 4.954 4.340 -0.001 0.000 0.244 314 Q C -0.485 175.145 176.000 -0.616 0.000 1.056 314 Q CA 0.277 55.868 55.803 -0.353 0.000 0.908 314 Q CB 0.207 28.788 28.738 -0.262 0.000 1.273 314 Q HN 0.380 nan 8.270 nan 0.000 0.471 315 F N -0.326 119.623 119.950 -0.003 0.000 2.563 315 F HA 0.340 4.866 4.527 -0.001 0.000 0.316 315 F C 1.023 176.822 175.800 -0.002 0.000 1.076 315 F CA -0.739 57.260 58.000 -0.002 0.000 0.921 315 F CB 1.554 40.552 39.000 -0.002 0.000 1.209 315 F HN 0.136 nan 8.300 nan 0.000 0.462 316 T N 0.000 114.672 114.554 0.197 0.000 3.816 316 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 316 T CA 0.000 62.165 62.100 0.108 0.000 1.349 316 T CB 0.000 68.917 68.868 0.081 0.000 0.612 316 T HN 0.000 nan 8.240 nan 0.000 0.658