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 1t5h_1_X DATA FIRST_RESID 2 DATA SEQUENCE QTVNEXLRRA ATRAPDHCAL AVPARGLRLT HAELRARVEA VAARLHADGL DATA SEQUENCE RPQQRVAVVA PNSADVVIAI LALHRLGAVP ALLNPRLKSA ELAELIKRGE DATA SEQUENCE XTAAVIAVXX QVADAIFQSG SGARIIFLGD LVRDGEPYSY GPPIEDPQRE DATA SEQUENCE PAQPAFIFYT SXXXGLPKAA IIPQRAAESR VLFXSTQVGL RHGRHNVVLG DATA SEQUENCE LXPLYHVVGF FAVLVAALAL DGTYVVVEEF RPVDALQLVQ QEQVTSLFAT DATA SEQUENCE PTHLDALAAA AAHAGSSLKL DSLRHVTFAG ATXPDAVLET VHQHLPGEKV DATA SEQUENCE NIYGTTEAXN SLYXRQPKTG TEXAPGFFSE VRIVRIGGGV DEIVANGEEG DATA SEQUENCE ELIVAASDSA FVGYLNQPQA TAEKLQDGWY RTSDVAVWTP EGTVRILGRV DATA SEQUENCE DDXIISGGEN IHPSEIERVL GTAPGVTEVV VIGLADQRWG QSVTACVVPR DATA SEQUENCE LGETLSADAL DTFCRSSELA DFKRPKRYFI LDQLPKNALN KVLRRQLVQQ DATA SEQUENCE VS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.067 176.000 0.112 0.000 1.003 2 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 2 Q CB 0.000 28.782 28.738 0.074 0.000 1.108 3 T N -2.447 112.193 114.554 0.143 0.000 2.701 3 T HA 0.235 4.585 4.350 -0.000 0.000 0.303 3 T C 1.472 176.335 174.700 0.272 0.000 1.030 3 T CA -0.487 61.751 62.100 0.231 0.000 1.010 3 T CB 0.692 69.722 68.868 0.271 0.000 1.007 3 T HN 0.282 nan 8.240 nan 0.000 0.532 4 V N 1.659 121.798 119.914 0.375 0.000 2.252 4 V HA -0.236 3.883 4.120 -0.000 0.000 0.249 4 V C 2.865 179.161 176.094 0.338 0.000 1.056 4 V CA 2.582 65.069 62.300 0.311 0.000 1.022 4 V CB -1.416 30.559 31.823 0.253 0.000 0.641 4 V HN 1.001 nan 8.190 nan 0.000 0.445 5 N N -0.253 118.775 118.700 0.546 0.000 2.069 5 N HA -0.162 4.577 4.740 -0.000 0.000 0.191 5 N C 1.076 176.687 175.510 0.168 0.000 1.031 5 N CA 1.343 54.575 53.050 0.303 0.000 0.852 5 N CB -0.086 38.454 38.487 0.087 0.000 1.018 5 N HN 0.642 nan 8.380 nan 0.000 0.423 9 R N 1.594 122.147 120.500 0.089 0.000 2.083 9 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 9 R C 2.228 178.562 176.300 0.057 0.000 1.137 9 R CA 2.139 58.281 56.100 0.069 0.000 0.951 9 R CB 0.003 30.335 30.300 0.054 0.000 0.851 9 R HN 0.278 nan 8.270 nan 0.000 0.434 10 R N -0.267 120.264 120.500 0.052 0.000 2.073 10 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 10 R C 2.379 178.695 176.300 0.027 0.000 1.134 10 R CA 1.305 57.426 56.100 0.035 0.000 0.952 10 R CB -0.401 29.917 30.300 0.031 0.000 0.850 10 R HN 0.278 nan 8.270 nan 0.000 0.433 11 A N 1.395 124.237 122.820 0.037 0.000 1.917 11 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 11 A C 2.368 179.916 177.584 -0.059 0.000 1.182 11 A CA 1.931 53.963 52.037 -0.008 0.000 0.633 11 A CB -0.653 18.366 19.000 0.032 0.000 0.819 11 A HN 0.427 nan 8.150 nan 0.000 0.448 12 A N -0.480 122.367 122.820 0.044 0.000 1.969 12 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 12 A C 2.388 179.991 177.584 0.031 0.000 1.169 12 A CA 2.310 54.389 52.037 0.070 0.000 0.635 12 A CB -1.292 17.782 19.000 0.122 0.000 0.810 12 A HN 0.819 nan 8.150 nan 0.000 0.445 13 T N -2.434 112.132 114.554 0.021 0.000 2.867 13 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 13 T C 1.915 176.614 174.700 -0.001 0.000 1.057 13 T CA 1.300 63.408 62.100 0.013 0.000 1.136 13 T CB -0.279 68.596 68.868 0.011 0.000 0.874 13 T HN 0.520 nan 8.240 nan 0.000 0.466 14 R N 1.135 121.625 120.500 -0.017 0.000 2.100 14 R HA 0.398 4.737 4.340 -0.000 0.000 0.220 14 R C 1.326 177.601 176.300 -0.043 0.000 1.091 14 R CA 0.923 57.010 56.100 -0.021 0.000 0.986 14 R CB 0.129 30.427 30.300 -0.003 0.000 0.888 14 R HN 0.445 nan 8.270 nan 0.000 0.444 15 A N 1.034 123.798 122.820 -0.093 0.000 3.176 15 A HA 0.281 4.601 4.320 -0.000 0.000 0.265 15 A C -2.075 175.501 177.584 -0.014 0.000 0.936 15 A CA -1.058 50.916 52.037 -0.104 0.000 1.033 15 A CB 0.541 19.382 19.000 -0.264 0.000 1.158 15 A HN -0.032 nan 8.150 nan 0.000 0.485 16 P HA -0.145 nan 4.420 nan 0.000 0.216 16 P C 0.099 177.471 177.300 0.121 0.000 1.150 16 P CA 1.396 64.548 63.100 0.087 0.000 0.837 16 P CB 0.275 32.008 31.700 0.056 0.000 0.786 17 D N -2.631 117.835 120.400 0.109 0.000 2.363 17 D HA 0.034 4.673 4.640 -0.000 0.000 0.214 17 D C 0.457 176.842 176.300 0.143 0.000 1.093 17 D CA 0.067 54.130 54.000 0.105 0.000 0.837 17 D CB -0.624 40.220 40.800 0.073 0.000 0.948 17 D HN 0.298 nan 8.370 nan 0.000 0.507 18 H N 0.320 119.445 119.070 0.092 0.000 2.525 18 H HA 0.190 4.746 4.556 -0.000 0.000 0.339 18 H C -0.241 175.200 175.328 0.187 0.000 1.109 18 H CA -0.642 55.474 56.048 0.113 0.000 1.352 18 H CB 0.894 30.701 29.762 0.076 0.000 1.461 18 H HN -0.078 nan 8.280 nan 0.000 0.533 19 C N 4.517 123.561 119.300 -0.427 0.000 2.633 19 C HA 0.405 4.865 4.460 -0.000 0.000 0.415 19 C C 1.465 176.361 174.990 -0.156 0.000 1.393 19 C CA 0.445 59.310 59.018 -0.254 0.000 1.700 19 C CB -1.758 25.818 27.740 -0.274 0.000 2.541 19 C HN 0.913 nan 8.230 nan 0.000 0.603 20 A N 4.705 127.413 122.820 -0.186 0.000 1.984 20 A HA 0.446 4.766 4.320 -0.000 0.000 0.203 20 A C 0.108 177.604 177.584 -0.147 0.000 1.292 20 A CA 0.405 52.216 52.037 -0.378 0.000 0.782 20 A CB -0.072 18.488 19.000 -0.732 0.000 0.924 20 A HN 0.658 nan 8.150 nan 0.000 0.475 21 L N -0.021 121.150 121.223 -0.086 0.000 2.376 21 L HA 0.730 5.070 4.340 -0.000 0.000 0.275 21 L C -0.454 176.413 176.870 -0.006 0.000 0.987 21 L CA -0.267 54.577 54.840 0.007 0.000 0.828 21 L CB 1.604 43.673 42.059 0.016 0.000 1.249 21 L HN 0.259 nan 8.230 nan 0.000 0.409 22 A N 4.152 126.971 122.820 -0.002 0.000 2.330 22 A HA 0.787 5.106 4.320 -0.000 0.000 0.313 22 A C -1.156 176.415 177.584 -0.022 0.000 1.124 22 A CA -0.496 51.526 52.037 -0.024 0.000 0.774 22 A CB 1.381 20.354 19.000 -0.044 0.000 1.198 22 A HN 0.373 nan 8.150 nan 0.000 0.465 23 V N 4.773 124.680 119.914 -0.011 0.000 2.266 23 V HA 0.239 4.359 4.120 -0.000 0.000 0.266 23 V C -2.005 174.081 176.094 -0.013 0.000 1.036 23 V CA -1.017 61.278 62.300 -0.009 0.000 0.828 23 V CB 0.922 32.752 31.823 0.011 0.000 1.081 23 V HN 0.741 nan 8.190 nan 0.000 0.449 24 P HA -0.108 nan 4.420 nan 0.000 0.217 24 P C 1.678 178.968 177.300 -0.017 0.000 1.150 24 P CA 1.560 64.647 63.100 -0.021 0.000 0.832 24 P CB 0.397 32.081 31.700 -0.028 0.000 0.787 25 A N -0.193 122.617 122.820 -0.016 0.000 1.969 25 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 25 A C 2.212 179.792 177.584 -0.007 0.000 1.169 25 A CA 1.300 53.329 52.037 -0.013 0.000 0.635 25 A CB -0.895 18.097 19.000 -0.013 0.000 0.810 25 A HN 0.071 nan 8.150 nan 0.000 0.445 26 R N -1.686 118.813 120.500 -0.003 0.000 2.300 26 R HA 0.187 4.527 4.340 -0.000 0.000 0.199 26 R C 1.149 177.449 176.300 0.001 0.000 0.920 26 R CA 0.522 56.623 56.100 0.002 0.000 1.046 26 R CB 0.015 30.320 30.300 0.009 0.000 0.984 26 R HN 0.646 nan 8.270 nan 0.000 0.493 27 G N 1.746 110.544 108.800 -0.003 0.000 2.198 27 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.260 27 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.260 27 G C -0.327 174.571 174.900 -0.002 0.000 1.025 27 G CA 0.199 45.296 45.100 -0.004 0.000 0.769 27 G HN 0.222 nan 8.290 nan 0.000 0.507 28 L N 0.520 121.742 121.223 -0.001 0.000 2.282 28 L HA 0.833 5.173 4.340 -0.000 0.000 0.288 28 L C 0.280 177.148 176.870 -0.004 0.000 1.033 28 L CA -0.905 53.936 54.840 0.002 0.000 0.807 28 L CB 0.783 42.848 42.059 0.011 0.000 1.209 28 L HN 0.237 nan 8.230 nan 0.000 0.423 29 R N 6.255 126.751 120.500 -0.008 0.000 2.574 29 R HA 0.665 5.005 4.340 -0.000 0.000 0.288 29 R C -1.667 174.622 176.300 -0.017 0.000 1.004 29 R CA -0.832 55.256 56.100 -0.019 0.000 0.895 29 R CB 1.857 32.141 30.300 -0.027 0.000 1.191 29 R HN 0.580 nan 8.270 nan 0.000 0.444 30 L N 1.836 123.043 121.223 -0.026 0.000 2.410 30 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 30 L C 0.704 177.547 176.870 -0.044 0.000 0.983 30 L CA -0.894 53.931 54.840 -0.025 0.000 0.822 30 L CB 2.403 44.452 42.059 -0.018 0.000 1.285 30 L HN 0.742 nan 8.230 nan 0.000 0.409 31 T N -3.387 111.157 114.554 -0.016 0.000 2.754 31 T HA 0.133 4.483 4.350 -0.000 0.000 0.286 31 T C 1.222 175.931 174.700 0.016 0.000 0.997 31 T CA -0.264 61.845 62.100 0.016 0.000 0.982 31 T CB 0.656 69.561 68.868 0.061 0.000 1.027 31 T HN 0.512 nan 8.240 nan 0.000 0.529 32 H N 0.567 119.658 119.070 0.034 0.000 2.352 32 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 32 H C 2.541 177.889 175.328 0.034 0.000 1.097 32 H CA 1.840 57.913 56.048 0.041 0.000 1.311 32 H CB -0.490 29.308 29.762 0.059 0.000 1.377 32 H HN 0.802 nan 8.280 nan 0.000 0.504 33 A N 1.116 124.026 122.820 0.150 0.000 1.898 33 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 33 A C 2.283 179.900 177.584 0.055 0.000 1.181 33 A CA 1.516 53.606 52.037 0.088 0.000 0.620 33 A CB -0.339 18.705 19.000 0.072 0.000 0.819 33 A HN 0.431 nan 8.150 nan 0.000 0.442 34 E N -0.789 119.437 120.200 0.043 0.000 2.077 34 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 34 E C 1.929 178.540 176.600 0.018 0.000 0.989 34 E CA 1.167 57.582 56.400 0.025 0.000 0.800 34 E CB -0.219 29.492 29.700 0.017 0.000 0.746 34 E HN 0.492 nan 8.360 nan 0.000 0.452 35 L N 1.216 122.444 121.223 0.008 0.000 2.017 35 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 35 L C 2.082 178.963 176.870 0.018 0.000 1.073 35 L CA 1.728 56.567 54.840 -0.001 0.000 0.745 35 L CB -0.256 41.777 42.059 -0.043 0.000 0.894 35 L HN -0.051 nan 8.230 nan 0.000 0.432 36 R N -0.133 120.387 120.500 0.032 0.000 2.105 36 R HA -0.117 4.222 4.340 -0.000 0.000 0.239 36 R C 2.157 178.474 176.300 0.029 0.000 1.135 36 R CA 1.418 57.542 56.100 0.040 0.000 0.967 36 R CB -1.097 29.236 30.300 0.054 0.000 0.861 36 R HN 0.564 nan 8.270 nan 0.000 0.442 37 A N 0.958 123.794 122.820 0.026 0.000 1.898 37 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 37 A C 2.249 179.842 177.584 0.015 0.000 1.181 37 A CA 1.294 53.342 52.037 0.018 0.000 0.620 37 A CB -0.307 18.704 19.000 0.018 0.000 0.819 37 A HN 0.239 nan 8.150 nan 0.000 0.442 38 R N -0.804 119.708 120.500 0.019 0.000 2.090 38 R HA -0.017 4.323 4.340 -0.000 0.000 0.228 38 R C 1.993 178.307 176.300 0.024 0.000 1.110 38 R CA 1.203 57.316 56.100 0.022 0.000 0.973 38 R CB -0.527 29.788 30.300 0.025 0.000 0.869 38 R HN 0.352 nan 8.270 nan 0.000 0.440 39 V N 1.568 121.498 119.914 0.027 0.000 2.255 39 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 39 V C 2.192 178.298 176.094 0.020 0.000 1.051 39 V CA 1.825 64.145 62.300 0.033 0.000 1.018 39 V CB -0.396 31.455 31.823 0.045 0.000 0.641 39 V HN 0.312 nan 8.190 nan 0.000 0.445 40 E N 0.214 120.421 120.200 0.012 0.000 2.085 40 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 40 E C 2.342 178.933 176.600 -0.015 0.000 0.994 40 E CA 1.550 57.948 56.400 -0.004 0.000 0.801 40 E CB -0.452 29.244 29.700 -0.005 0.000 0.743 40 E HN 0.599 nan 8.360 nan 0.000 0.453 41 A N 1.108 123.923 122.820 -0.009 0.000 1.877 41 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 41 A C 2.625 180.192 177.584 -0.028 0.000 1.186 41 A CA 1.460 53.485 52.037 -0.020 0.000 0.620 41 A CB -0.672 18.323 19.000 -0.007 0.000 0.822 41 A HN 0.131 nan 8.150 nan 0.000 0.443 42 V N -0.094 119.817 119.914 -0.006 0.000 2.427 42 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 42 V C 3.032 179.116 176.094 -0.017 0.000 1.051 42 V CA 1.786 64.085 62.300 -0.002 0.000 1.048 42 V CB -1.285 30.554 31.823 0.026 0.000 0.666 42 V HN 0.613 nan 8.190 nan 0.000 0.456 43 A N 0.290 123.105 122.820 -0.009 0.000 1.883 43 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 43 A C 2.459 180.034 177.584 -0.015 0.000 1.186 43 A CA 2.236 54.269 52.037 -0.006 0.000 0.624 43 A CB -0.889 18.105 19.000 -0.009 0.000 0.822 43 A HN 0.570 nan 8.150 nan 0.000 0.444 44 A N -0.526 122.267 122.820 -0.045 0.000 1.908 44 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 44 A C 2.304 179.829 177.584 -0.098 0.000 1.181 44 A CA 1.807 53.807 52.037 -0.061 0.000 0.627 44 A CB -0.539 18.418 19.000 -0.073 0.000 0.818 44 A HN 0.463 nan 8.150 nan 0.000 0.445 45 R N 0.028 120.419 120.500 -0.181 0.000 2.075 45 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 45 R C 1.998 178.158 176.300 -0.233 0.000 1.126 45 R CA 1.658 57.527 56.100 -0.384 0.000 0.963 45 R CB -0.675 29.398 30.300 -0.378 0.000 0.858 45 R HN 0.562 nan 8.270 nan 0.000 0.435 46 L N -0.169 120.998 121.223 -0.093 0.000 2.046 46 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 46 L C 2.888 179.749 176.870 -0.014 0.000 1.077 46 L CA 1.526 56.343 54.840 -0.038 0.000 0.747 46 L CB -0.780 41.273 42.059 -0.010 0.000 0.896 46 L HN 0.374 nan 8.230 nan 0.000 0.432 47 H N 0.252 119.276 119.070 -0.076 0.000 2.357 47 H HA -0.128 4.427 4.556 -0.000 0.000 0.301 47 H C 2.147 177.448 175.328 -0.045 0.000 1.082 47 H CA 1.554 57.569 56.048 -0.054 0.000 1.342 47 H CB 0.335 30.066 29.762 -0.051 0.000 1.389 47 H HN 0.325 nan 8.280 nan 0.000 0.511 48 A N 0.847 123.702 122.820 0.058 0.000 1.940 48 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 48 A C 1.919 179.520 177.584 0.027 0.000 1.176 48 A CA 1.838 53.901 52.037 0.043 0.000 0.631 48 A CB -0.305 18.700 19.000 0.008 0.000 0.814 48 A HN 0.413 nan 8.150 nan 0.000 0.446 49 D N -1.691 118.706 120.400 -0.005 0.000 2.371 49 D HA 0.226 4.865 4.640 -0.000 0.000 0.221 49 D C 1.420 177.706 176.300 -0.023 0.000 0.986 49 D CA 1.314 55.330 54.000 0.025 0.000 0.899 49 D CB 0.199 41.018 40.800 0.031 0.000 0.902 49 D HN 0.628 nan 8.370 nan 0.000 0.530 50 G N -0.390 108.356 108.800 -0.090 0.000 2.296 50 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.188 50 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.188 50 G C 0.040 174.839 174.900 -0.169 0.000 1.000 50 G CA -0.367 44.658 45.100 -0.126 0.000 0.672 50 G HN 0.211 nan 8.290 nan 0.000 0.483 51 L N 2.261 123.394 121.223 -0.150 0.000 2.453 51 L HA 0.628 4.968 4.340 -0.000 0.000 0.272 51 L C 0.548 177.318 176.870 -0.166 0.000 1.182 51 L CA 0.122 54.890 54.840 -0.119 0.000 0.858 51 L CB 0.366 42.387 42.059 -0.063 0.000 1.120 51 L HN 0.228 nan 8.230 nan 0.000 0.474 52 R N 4.159 124.598 120.500 -0.102 0.000 2.854 52 R HA 0.532 4.871 4.340 -0.000 0.000 0.271 52 R C -2.515 173.775 176.300 -0.017 0.000 0.994 52 R CA -2.330 53.730 56.100 -0.067 0.000 0.945 52 R CB 1.106 31.359 30.300 -0.077 0.000 1.194 52 R HN 0.315 nan 8.270 nan 0.000 0.476 53 P HA -0.029 nan 4.420 nan 0.000 0.266 53 P C -0.122 177.165 177.300 -0.023 0.000 1.193 53 P CA 0.459 63.554 63.100 -0.008 0.000 0.770 53 P CB 0.486 32.185 31.700 -0.001 0.000 0.836 54 Q N -1.683 118.096 119.800 -0.035 0.000 2.305 54 Q HA -0.250 4.090 4.340 -0.000 0.000 0.203 54 Q C -0.273 175.706 176.000 -0.035 0.000 0.663 54 Q CA 1.349 57.130 55.803 -0.037 0.000 1.389 54 Q CB -1.779 26.942 28.738 -0.029 0.000 1.566 54 Q HN 0.695 nan 8.270 nan 0.000 0.755 55 Q N 0.463 120.243 119.800 -0.035 0.000 2.327 55 Q HA 0.324 4.663 4.340 -0.000 0.000 0.254 55 Q C 0.008 175.985 176.000 -0.038 0.000 0.952 55 Q CA -0.046 55.736 55.803 -0.034 0.000 0.884 55 Q CB 0.753 29.468 28.738 -0.037 0.000 1.224 55 Q HN 0.084 nan 8.270 nan 0.000 0.422 56 R N 1.106 121.587 120.500 -0.032 0.000 2.297 56 R HA 0.402 4.742 4.340 -0.000 0.000 0.308 56 R C -1.006 175.275 176.300 -0.031 0.000 1.029 56 R CA -0.344 55.737 56.100 -0.031 0.000 0.929 56 R CB 0.986 31.277 30.300 -0.016 0.000 1.046 56 R HN 0.300 nan 8.270 nan 0.000 0.461 57 V N 2.787 122.679 119.914 -0.037 0.000 2.443 57 V HA 0.370 4.490 4.120 -0.000 0.000 0.293 57 V C 0.028 176.097 176.094 -0.042 0.000 1.021 57 V CA -1.006 61.270 62.300 -0.040 0.000 0.848 57 V CB 1.639 33.438 31.823 -0.041 0.000 0.998 57 V HN 0.943 nan 8.190 nan 0.000 0.424 58 A N 4.756 127.550 122.820 -0.043 0.000 2.407 58 A HA 0.668 4.988 4.320 -0.000 0.000 0.248 58 A C -0.286 177.258 177.584 -0.068 0.000 1.082 58 A CA -0.125 51.880 52.037 -0.053 0.000 0.785 58 A CB 0.571 19.531 19.000 -0.067 0.000 1.020 58 A HN 0.811 nan 8.150 nan 0.000 0.489 59 V N 2.880 122.748 119.914 -0.077 0.000 2.483 59 V HA 0.404 4.523 4.120 -0.000 0.000 0.297 59 V C -0.586 175.461 176.094 -0.079 0.000 1.027 59 V CA -0.423 61.837 62.300 -0.066 0.000 0.855 59 V CB 1.587 33.377 31.823 -0.056 0.000 0.995 59 V HN 0.615 nan 8.190 nan 0.000 0.424 60 V N 4.001 123.872 119.914 -0.071 0.000 2.289 60 V HA 0.886 5.006 4.120 -0.000 0.000 0.272 60 V C 0.164 176.235 176.094 -0.039 0.000 1.026 60 V CA -0.158 62.089 62.300 -0.088 0.000 0.807 60 V CB 0.878 32.639 31.823 -0.103 0.000 1.044 60 V HN 1.035 nan 8.190 nan 0.000 0.443 61 A N 5.894 128.709 122.820 -0.008 0.000 2.589 61 A HA 0.957 5.276 4.320 -0.000 0.000 0.296 61 A C -3.143 174.508 177.584 0.112 0.000 1.062 61 A CA -1.198 50.866 52.037 0.046 0.000 0.686 61 A CB 1.989 21.024 19.000 0.058 0.000 1.282 61 A HN 0.447 nan 8.150 nan 0.000 0.404 62 P HA 0.212 nan 4.420 nan 0.000 0.274 62 P C -0.587 176.814 177.300 0.168 0.000 1.246 62 P CA -0.400 62.809 63.100 0.182 0.000 0.795 62 P CB 0.341 32.121 31.700 0.133 0.000 1.006 63 N N 0.298 119.104 118.700 0.177 0.000 2.357 63 N HA 0.205 4.944 4.740 -0.000 0.000 0.257 63 N C 0.194 175.783 175.510 0.132 0.000 1.250 63 N CA 0.710 53.852 53.050 0.153 0.000 0.862 63 N CB -0.277 38.298 38.487 0.147 0.000 1.066 63 N HN 0.566 nan 8.380 nan 0.000 0.468 64 S N -0.684 115.096 115.700 0.134 0.000 2.611 64 S HA 0.570 5.040 4.470 -0.000 0.000 0.270 64 S C 0.397 175.066 174.600 0.115 0.000 1.131 64 S CA -0.383 57.884 58.200 0.111 0.000 0.826 64 S CB 0.489 63.741 63.200 0.087 0.000 1.095 64 S HN 0.413 nan 8.310 nan 0.000 0.461 65 A N 0.960 123.839 122.820 0.098 0.000 1.972 65 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 65 A C 1.599 179.225 177.584 0.069 0.000 1.169 65 A CA 2.038 54.127 52.037 0.087 0.000 0.635 65 A CB -1.084 17.956 19.000 0.067 0.000 0.810 65 A HN 0.831 nan 8.150 nan 0.000 0.446 66 D N -0.597 119.843 120.400 0.067 0.000 2.117 66 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 66 D C 1.992 178.331 176.300 0.064 0.000 0.982 66 D CA 1.383 55.421 54.000 0.062 0.000 0.828 66 D CB -0.576 40.261 40.800 0.061 0.000 0.967 66 D HN 0.204 nan 8.370 nan 0.000 0.464 67 V N 0.576 120.532 119.914 0.071 0.000 2.427 67 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 67 V C 2.402 178.538 176.094 0.070 0.000 1.051 67 V CA 1.063 63.405 62.300 0.070 0.000 1.048 67 V CB -0.122 31.750 31.823 0.081 0.000 0.666 67 V HN -0.012 nan 8.190 nan 0.000 0.456 68 V N 0.187 120.141 119.914 0.066 0.000 2.287 68 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 68 V C 2.243 178.370 176.094 0.054 0.000 1.053 68 V CA 2.701 65.028 62.300 0.043 0.000 1.027 68 V CB -0.512 31.310 31.823 -0.003 0.000 0.646 68 V HN 0.517 nan 8.190 nan 0.000 0.447 69 I N 0.175 120.776 120.570 0.051 0.000 2.226 69 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 69 I C 2.638 178.794 176.117 0.064 0.000 1.100 69 I CA 1.474 62.806 61.300 0.053 0.000 1.374 69 I CB -0.583 37.445 38.000 0.047 0.000 1.057 69 I HN 0.287 nan 8.210 nan 0.000 0.413 70 A N 1.063 123.920 122.820 0.062 0.000 1.877 70 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 70 A C 2.292 179.918 177.584 0.070 0.000 1.186 70 A CA 1.613 53.684 52.037 0.057 0.000 0.620 70 A CB -0.878 18.150 19.000 0.047 0.000 0.822 70 A HN 0.370 nan 8.150 nan 0.000 0.443 71 I N -0.264 120.355 120.570 0.082 0.000 2.163 71 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 71 I C 2.360 178.598 176.117 0.203 0.000 1.085 71 I CA 1.275 62.642 61.300 0.111 0.000 1.347 71 I CB -0.357 37.699 38.000 0.093 0.000 1.044 71 I HN 0.284 nan 8.210 nan 0.000 0.408 72 L N 0.315 121.659 121.223 0.202 0.000 2.141 72 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 72 L C 2.825 179.808 176.870 0.187 0.000 1.094 72 L CA 1.094 56.079 54.840 0.241 0.000 0.763 72 L CB -0.752 41.406 42.059 0.166 0.000 0.908 72 L HN 0.246 nan 8.230 nan 0.000 0.437 73 A N 0.362 123.252 122.820 0.117 0.000 1.902 73 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 73 A C 2.267 179.890 177.584 0.065 0.000 1.181 73 A CA 1.290 53.371 52.037 0.073 0.000 0.623 73 A CB -0.637 18.392 19.000 0.049 0.000 0.818 73 A HN 0.322 nan 8.150 nan 0.000 0.443 74 L N -1.473 119.796 121.223 0.076 0.000 2.012 74 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 74 L C 2.701 179.605 176.870 0.056 0.000 1.073 74 L CA 1.966 56.836 54.840 0.050 0.000 0.748 74 L CB -0.699 41.381 42.059 0.036 0.000 0.891 74 L HN 0.647 nan 8.230 nan 0.000 0.431 75 H N 0.156 119.229 119.070 0.004 0.000 2.353 75 H HA -0.212 4.344 4.556 -0.000 0.000 0.300 75 H C 2.275 177.603 175.328 0.000 0.000 1.090 75 H CA 1.914 57.943 56.048 -0.031 0.000 1.327 75 H CB 0.032 29.856 29.762 0.103 0.000 1.383 75 H HN 0.040 nan 8.280 nan 0.000 0.508 76 R N 0.622 121.086 120.500 -0.059 0.000 2.091 76 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 76 R C 2.486 178.721 176.300 -0.108 0.000 1.136 76 R CA 1.785 57.818 56.100 -0.111 0.000 0.959 76 R CB -1.179 29.112 30.300 -0.015 0.000 0.856 76 R HN 0.543 nan 8.270 nan 0.000 0.437 77 L N -1.263 119.928 121.223 -0.054 0.000 2.083 77 L HA 0.032 4.372 4.340 -0.000 0.000 0.209 77 L C 1.124 177.968 176.870 -0.044 0.000 1.083 77 L CA 1.874 56.700 54.840 -0.025 0.000 0.752 77 L CB -0.211 41.863 42.059 0.025 0.000 0.899 77 L HN 0.619 nan 8.230 nan 0.000 0.433 78 G N -1.765 106.981 108.800 -0.089 0.000 2.184 78 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.206 78 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.206 78 G C 0.346 175.205 174.900 -0.069 0.000 0.995 78 G CA 0.010 45.050 45.100 -0.101 0.000 0.651 78 G HN 0.758 nan 8.290 nan 0.000 0.511 79 A N -0.348 122.442 122.820 -0.050 0.000 2.386 79 A HA 0.669 4.988 4.320 -0.000 0.000 0.246 79 A C 0.551 178.083 177.584 -0.086 0.000 1.089 79 A CA 0.506 52.512 52.037 -0.052 0.000 0.790 79 A CB 0.826 19.805 19.000 -0.035 0.000 1.042 79 A HN 1.149 nan 8.150 nan 0.000 0.497 80 V N 3.035 122.893 119.914 -0.092 0.000 2.294 80 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 80 V C -2.374 173.651 176.094 -0.115 0.000 1.027 80 V CA -1.409 60.806 62.300 -0.141 0.000 0.823 80 V CB 0.853 32.615 31.823 -0.103 0.000 1.030 80 V HN 0.712 nan 8.190 nan 0.000 0.457 81 P HA 0.325 nan 4.420 nan 0.000 0.271 81 P C -0.557 176.677 177.300 -0.110 0.000 1.220 81 P CA 0.008 63.057 63.100 -0.086 0.000 0.768 81 P CB 0.881 32.557 31.700 -0.040 0.000 0.848 82 A N 4.890 127.659 122.820 -0.084 0.000 2.328 82 A HA 0.456 4.775 4.320 -0.000 0.000 0.318 82 A C -0.285 177.264 177.584 -0.059 0.000 1.347 82 A CA -0.695 51.321 52.037 -0.035 0.000 0.842 82 A CB -0.179 18.884 19.000 0.105 0.000 1.148 82 A HN 0.464 nan 8.150 nan 0.000 0.499 83 L N 3.212 124.307 121.223 -0.212 0.000 2.290 83 L HA 0.445 4.785 4.340 -0.000 0.000 0.284 83 L C -0.471 176.372 176.870 -0.045 0.000 1.078 83 L CA -0.072 54.655 54.840 -0.188 0.000 0.815 83 L CB 0.650 42.481 42.059 -0.380 0.000 1.162 83 L HN 0.548 nan 8.230 nan 0.000 0.435 84 L N 3.203 124.347 121.223 -0.130 0.000 2.362 84 L HA 0.387 4.727 4.340 -0.000 0.000 0.271 84 L C 0.167 176.756 176.870 -0.467 0.000 1.002 84 L CA -0.724 53.945 54.840 -0.285 0.000 0.818 84 L CB 2.063 43.906 42.059 -0.359 0.000 1.298 84 L HN 0.534 nan 8.230 nan 0.000 0.420 85 N N 4.501 122.829 118.700 -0.620 0.000 2.427 85 N HA 0.062 4.802 4.740 -0.000 0.000 0.269 85 N C -1.732 173.443 175.510 -0.558 0.000 1.235 85 N CA -1.392 51.048 53.050 -1.017 0.000 0.934 85 N CB 1.077 39.231 38.487 -0.555 0.000 1.121 85 N HN 0.318 nan 8.380 nan 0.000 0.480 86 P HA -0.061 nan 4.420 nan 0.000 0.237 86 P C 0.845 178.060 177.300 -0.142 0.000 1.178 86 P CA 0.792 63.757 63.100 -0.225 0.000 0.766 86 P CB 0.132 31.755 31.700 -0.129 0.000 0.876 87 R N -0.046 120.366 120.500 -0.146 0.000 2.275 87 R HA 0.158 4.498 4.340 -0.000 0.000 0.199 87 R C 1.451 177.710 176.300 -0.069 0.000 0.989 87 R CA 0.355 56.416 56.100 -0.065 0.000 1.016 87 R CB -1.505 28.787 30.300 -0.014 0.000 0.918 87 R HN 0.231 nan 8.270 nan 0.000 0.473 88 L N 1.358 122.515 121.223 -0.110 0.000 2.452 88 L HA 0.177 4.517 4.340 -0.000 0.000 0.267 88 L C 0.444 177.269 176.870 -0.076 0.000 1.188 88 L CA -0.361 54.422 54.840 -0.094 0.000 0.821 88 L CB 0.855 42.835 42.059 -0.131 0.000 1.102 88 L HN 0.281 nan 8.230 nan 0.000 0.470 89 K N 0.879 121.244 120.400 -0.059 0.000 2.355 89 K HA 0.039 4.359 4.320 -0.000 0.000 0.270 89 K C 1.062 177.629 176.600 -0.055 0.000 1.003 89 K CA -0.259 56.000 56.287 -0.046 0.000 0.957 89 K CB 0.811 33.290 32.500 -0.035 0.000 0.939 89 K HN 0.569 nan 8.250 nan 0.000 0.482 90 S N 1.717 117.391 115.700 -0.044 0.000 2.359 90 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 90 S C 1.906 176.478 174.600 -0.048 0.000 1.035 90 S CA 1.730 59.903 58.200 -0.045 0.000 1.018 90 S CB -0.172 63.010 63.200 -0.029 0.000 0.876 90 S HN 0.774 nan 8.310 nan 0.000 0.448 91 A N 0.906 123.703 122.820 -0.039 0.000 2.015 91 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 91 A C 1.974 179.531 177.584 -0.045 0.000 1.163 91 A CA 1.729 53.745 52.037 -0.036 0.000 0.646 91 A CB -0.509 18.475 19.000 -0.026 0.000 0.806 91 A HN 0.644 nan 8.150 nan 0.000 0.448 92 E N -0.040 120.129 120.200 -0.052 0.000 2.072 92 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 92 E C 1.835 178.380 176.600 -0.092 0.000 0.982 92 E CA 0.961 57.324 56.400 -0.063 0.000 0.803 92 E CB -0.249 29.413 29.700 -0.063 0.000 0.755 92 E HN 0.586 nan 8.360 nan 0.000 0.453 93 L N 0.528 121.686 121.223 -0.108 0.000 2.046 93 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 93 L C 2.683 179.484 176.870 -0.115 0.000 1.077 93 L CA 1.169 55.924 54.840 -0.143 0.000 0.747 93 L CB -0.487 41.487 42.059 -0.141 0.000 0.896 93 L HN 0.258 nan 8.230 nan 0.000 0.432 94 A N -0.214 122.557 122.820 -0.081 0.000 1.902 94 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 94 A C 2.186 179.739 177.584 -0.051 0.000 1.181 94 A CA 1.955 53.955 52.037 -0.062 0.000 0.623 94 A CB -0.510 18.462 19.000 -0.047 0.000 0.818 94 A HN 0.391 nan 8.150 nan 0.000 0.443 95 E N 0.219 120.391 120.200 -0.047 0.000 2.058 95 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 95 E C 1.817 178.402 176.600 -0.025 0.000 0.997 95 E CA 1.476 57.857 56.400 -0.031 0.000 0.801 95 E CB -0.427 29.256 29.700 -0.027 0.000 0.746 95 E HN 0.605 nan 8.360 nan 0.000 0.450 96 L N -0.218 120.976 121.223 -0.049 0.000 2.093 96 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 96 L C 2.493 179.361 176.870 -0.004 0.000 1.085 96 L CA 0.900 55.723 54.840 -0.030 0.000 0.755 96 L CB -0.331 41.631 42.059 -0.162 0.000 0.904 96 L HN 0.189 nan 8.230 nan 0.000 0.435 97 I N -0.213 120.328 120.570 -0.048 0.000 2.226 97 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 97 I C 2.712 178.823 176.117 -0.009 0.000 1.100 97 I CA 1.291 62.573 61.300 -0.030 0.000 1.374 97 I CB -0.270 37.694 38.000 -0.060 0.000 1.057 97 I HN 0.237 nan 8.210 nan 0.000 0.413 98 K N 1.231 121.623 120.400 -0.014 0.000 2.002 98 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 98 K C 2.345 178.950 176.600 0.009 0.000 1.048 98 K CA 1.453 57.736 56.287 -0.006 0.000 0.930 98 K CB -0.088 32.406 32.500 -0.011 0.000 0.714 98 K HN 0.156 nan 8.250 nan 0.000 0.438 99 R N -0.518 119.994 120.500 0.019 0.000 2.117 99 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 99 R C 2.290 178.618 176.300 0.045 0.000 1.143 99 R CA 1.411 57.532 56.100 0.034 0.000 0.968 99 R CB -0.416 29.912 30.300 0.047 0.000 0.863 99 R HN 0.406 nan 8.270 nan 0.000 0.444 100 G N 0.257 109.093 108.800 0.059 0.000 2.744 100 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.211 100 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.211 100 G C -0.358 174.562 174.900 0.034 0.000 1.143 100 G CA -0.026 45.114 45.100 0.066 0.000 0.788 100 G HN 0.368 nan 8.290 nan 0.000 0.534 104 A N 0.408 123.200 122.820 -0.048 0.000 2.602 104 A HA 0.952 5.272 4.320 -0.000 0.000 0.290 104 A C -1.850 175.692 177.584 -0.071 0.000 1.114 104 A CA -0.208 51.791 52.037 -0.063 0.000 0.683 104 A CB 1.228 20.191 19.000 -0.062 0.000 1.281 104 A HN 0.929 nan 8.150 nan 0.000 0.416 105 A N 0.209 122.971 122.820 -0.096 0.000 2.375 105 A HA 0.631 4.951 4.320 -0.000 0.000 0.295 105 A C -1.148 176.359 177.584 -0.128 0.000 1.066 105 A CA -0.377 51.596 52.037 -0.105 0.000 0.722 105 A CB 1.133 20.063 19.000 -0.115 0.000 1.206 105 A HN 1.373 nan 8.150 nan 0.000 0.435 106 V N 4.417 124.274 119.914 -0.094 0.000 2.364 106 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 106 V C -0.025 176.029 176.094 -0.067 0.000 1.036 106 V CA 0.029 62.282 62.300 -0.079 0.000 0.880 106 V CB 0.325 32.126 31.823 -0.037 0.000 0.991 106 V HN 0.758 nan 8.190 nan 0.000 0.460 107 I N 2.295 122.821 120.570 -0.073 0.000 2.608 107 I HA 0.952 5.122 4.170 -0.000 0.000 0.295 107 I C 0.046 176.205 176.117 0.070 0.000 1.049 107 I CA -0.968 60.316 61.300 -0.027 0.000 1.063 107 I CB 2.174 40.135 38.000 -0.065 0.000 1.248 107 I HN 0.492 nan 8.210 nan 0.000 0.424 108 A N 5.335 128.197 122.820 0.069 0.000 2.302 108 A HA 0.782 5.101 4.320 -0.000 0.000 0.295 108 A C 0.149 177.799 177.584 0.110 0.000 1.235 108 A CA 0.007 52.103 52.037 0.098 0.000 0.876 108 A CB 0.026 19.066 19.000 0.067 0.000 1.133 108 A HN 1.107 nan 8.150 nan 0.000 0.533 113 V N -0.370 119.558 119.914 0.023 0.000 2.515 113 V HA 0.222 4.342 4.120 -0.000 0.000 0.250 113 V C 2.618 178.707 176.094 -0.008 0.000 1.058 113 V CA 3.176 65.474 62.300 -0.004 0.000 1.064 113 V CB -0.792 31.019 31.823 -0.019 0.000 0.675 113 V HN 1.098 nan 8.190 nan 0.000 0.461 114 A N 0.641 123.475 122.820 0.024 0.000 1.877 114 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 114 A C 2.161 179.751 177.584 0.010 0.000 1.186 114 A CA 2.450 54.489 52.037 0.004 0.000 0.620 114 A CB -1.328 17.724 19.000 0.088 0.000 0.822 114 A HN 0.865 nan 8.150 nan 0.000 0.443 115 D N -0.423 119.997 120.400 0.033 0.000 2.178 115 D HA 0.119 4.758 4.640 -0.000 0.000 0.201 115 D C 2.103 178.404 176.300 0.001 0.000 0.980 115 D CA 2.105 56.117 54.000 0.020 0.000 0.842 115 D CB -0.604 40.211 40.800 0.024 0.000 0.948 115 D HN 0.733 nan 8.370 nan 0.000 0.472 116 A N 0.013 122.829 122.820 -0.006 0.000 1.929 116 A HA 0.167 4.486 4.320 -0.000 0.000 0.216 116 A C 2.330 179.899 177.584 -0.026 0.000 1.176 116 A CA 1.221 53.248 52.037 -0.017 0.000 0.628 116 A CB -0.358 18.628 19.000 -0.023 0.000 0.816 116 A HN 0.527 nan 8.150 nan 0.000 0.444 117 I N -0.773 119.776 120.570 -0.034 0.000 2.315 117 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 117 I C 2.798 178.895 176.117 -0.034 0.000 1.117 117 I CA 1.733 63.007 61.300 -0.043 0.000 1.404 117 I CB -0.522 37.440 38.000 -0.063 0.000 1.071 117 I HN 0.396 nan 8.210 nan 0.000 0.419 118 F N 0.358 120.293 119.950 -0.025 0.000 2.234 118 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 118 F C 2.396 178.188 175.800 -0.013 0.000 1.087 118 F CA 1.727 59.716 58.000 -0.017 0.000 1.340 118 F CB -1.040 37.956 39.000 -0.007 0.000 1.031 118 F HN 0.167 nan 8.300 nan 0.000 0.500 119 Q N -0.112 119.680 119.800 -0.013 0.000 2.398 119 Q HA -0.034 4.306 4.340 -0.000 0.000 0.204 119 Q C 2.361 178.353 176.000 -0.013 0.000 0.932 119 Q CA 1.058 56.855 55.803 -0.011 0.000 0.916 119 Q CB -0.060 28.672 28.738 -0.009 0.000 1.024 119 Q HN 0.768 nan 8.270 nan 0.000 0.504 120 S N -1.049 114.640 115.700 -0.017 0.000 2.453 120 S HA 0.035 4.504 4.470 -0.000 0.000 0.231 120 S C 1.662 176.253 174.600 -0.015 0.000 1.005 120 S CA 0.806 58.996 58.200 -0.018 0.000 0.949 120 S CB 0.077 63.263 63.200 -0.023 0.000 0.774 120 S HN 0.499 nan 8.310 nan 0.000 0.510 121 G N 0.435 109.226 108.800 -0.015 0.000 2.213 121 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 121 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 121 G C 0.232 175.123 174.900 -0.015 0.000 0.991 121 G CA 0.226 45.318 45.100 -0.013 0.000 0.629 121 G HN 0.839 nan 8.290 nan 0.000 0.517 122 S N 0.541 116.230 115.700 -0.019 0.000 2.561 122 S HA 0.371 4.841 4.470 -0.000 0.000 0.294 122 S C 1.625 176.211 174.600 -0.024 0.000 1.294 122 S CA 1.114 59.301 58.200 -0.022 0.000 1.055 122 S CB 0.632 63.815 63.200 -0.028 0.000 0.819 122 S HN 1.501 nan 8.310 nan 0.000 0.503 123 G N 2.428 111.215 108.800 -0.023 0.000 3.314 123 G HA2 0.454 4.414 3.960 -0.000 0.000 0.238 123 G HA3 0.454 4.414 3.960 -0.000 0.000 0.238 123 G C 0.203 175.084 174.900 -0.031 0.000 1.184 123 G CA 0.219 45.305 45.100 -0.024 0.000 0.806 123 G HN 0.949 nan 8.290 nan 0.000 0.536 124 A N 0.806 123.603 122.820 -0.038 0.000 2.404 124 A HA 0.552 4.872 4.320 -0.000 0.000 0.273 124 A C 0.648 178.194 177.584 -0.063 0.000 1.144 124 A CA -0.575 51.432 52.037 -0.049 0.000 0.806 124 A CB 0.178 19.146 19.000 -0.054 0.000 1.080 124 A HN 0.406 nan 8.150 nan 0.000 0.509 125 R N 2.747 123.208 120.500 -0.064 0.000 2.442 125 R HA 0.339 4.679 4.340 -0.000 0.000 0.291 125 R C -0.842 175.387 176.300 -0.119 0.000 1.069 125 R CA -0.128 55.927 56.100 -0.076 0.000 1.022 125 R CB 0.123 30.389 30.300 -0.058 0.000 0.976 125 R HN 0.652 nan 8.270 nan 0.000 0.443 126 I N 6.204 126.675 120.570 -0.166 0.000 2.371 126 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 126 I C -0.105 175.799 176.117 -0.354 0.000 1.028 126 I CA -0.012 61.106 61.300 -0.303 0.000 1.345 126 I CB 1.094 38.846 38.000 -0.413 0.000 1.407 126 I HN 0.500 nan 8.210 nan 0.000 0.501 127 I N 6.840 127.206 120.570 -0.340 0.000 2.382 127 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 127 I C -0.637 175.319 176.117 -0.268 0.000 1.002 127 I CA -0.442 60.718 61.300 -0.233 0.000 1.135 127 I CB 0.918 38.861 38.000 -0.096 0.000 1.288 127 I HN 0.302 nan 8.210 nan 0.000 0.448 128 F N 5.496 125.442 119.950 -0.006 0.000 2.427 128 F HA 0.111 4.638 4.527 -0.000 0.000 0.352 128 F C 1.156 176.956 175.800 -0.000 0.000 1.100 128 F CA -0.469 57.527 58.000 -0.007 0.000 1.191 128 F CB 0.906 39.899 39.000 -0.012 0.000 1.128 128 F HN 0.458 nan 8.300 nan 0.000 0.533 129 L N 3.760 125.084 121.223 0.169 0.000 2.079 129 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 129 L C 2.224 179.157 176.870 0.105 0.000 1.081 129 L CA 2.125 57.029 54.840 0.106 0.000 0.752 129 L CB -1.101 41.008 42.059 0.083 0.000 0.896 129 L HN 0.767 nan 8.230 nan 0.000 0.433 130 G N -1.643 107.226 108.800 0.114 0.000 2.559 130 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 130 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 130 G C 1.109 176.044 174.900 0.058 0.000 1.126 130 G CA 0.744 45.886 45.100 0.069 0.000 0.778 130 G HN 0.415 nan 8.290 nan 0.000 0.543 131 D N -0.220 120.234 120.400 0.090 0.000 2.333 131 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 131 D C 2.440 178.780 176.300 0.067 0.000 0.984 131 D CA 0.197 54.228 54.000 0.051 0.000 0.873 131 D CB 0.336 41.194 40.800 0.097 0.000 0.935 131 D HN 0.334 nan 8.370 nan 0.000 0.521 132 L N -0.767 120.512 121.223 0.094 0.000 2.269 132 L HA 0.214 4.554 4.340 -0.000 0.000 0.200 132 L C 0.567 177.510 176.870 0.121 0.000 1.069 132 L CA 0.164 55.071 54.840 0.111 0.000 0.804 132 L CB 0.748 42.855 42.059 0.080 0.000 0.987 132 L HN -0.189 nan 8.230 nan 0.000 0.468 133 V N 0.144 120.116 119.914 0.096 0.000 2.924 133 V HA 0.458 4.577 4.120 -0.000 0.000 0.300 133 V C -1.617 174.520 176.094 0.072 0.000 1.227 133 V CA -0.438 61.914 62.300 0.087 0.000 0.954 133 V CB 2.323 34.189 31.823 0.072 0.000 1.055 133 V HN 0.199 nan 8.190 nan 0.000 0.429 134 R N 4.381 124.922 120.500 0.068 0.000 2.483 134 R HA 0.469 4.809 4.340 -0.000 0.000 0.303 134 R C -0.941 175.388 176.300 0.048 0.000 0.987 134 R CA -0.679 55.453 56.100 0.054 0.000 0.881 134 R CB 1.384 31.714 30.300 0.050 0.000 1.177 134 R HN 0.840 nan 8.270 nan 0.000 0.451 135 D N 2.317 122.743 120.400 0.042 0.000 2.704 135 D HA -0.200 4.440 4.640 -0.000 0.000 0.232 135 D C 1.058 177.380 176.300 0.037 0.000 1.183 135 D CA 2.117 56.139 54.000 0.037 0.000 0.647 135 D CB -0.790 40.028 40.800 0.030 0.000 1.013 135 D HN 1.084 nan 8.370 nan 0.000 0.415 136 G N -0.811 108.014 108.800 0.041 0.000 2.234 136 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 136 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 136 G C 0.022 174.947 174.900 0.041 0.000 0.987 136 G CA 0.347 45.470 45.100 0.038 0.000 0.625 136 G HN 0.396 nan 8.290 nan 0.000 0.532 137 E N 1.934 122.163 120.200 0.048 0.000 2.115 137 E HA 0.437 4.787 4.350 -0.000 0.000 0.282 137 E C -2.365 174.281 176.600 0.077 0.000 0.987 137 E CA -1.856 54.578 56.400 0.055 0.000 0.797 137 E CB 1.851 31.584 29.700 0.055 0.000 1.086 137 E HN 0.315 nan 8.360 nan 0.000 0.397 138 P HA 0.121 nan 4.420 nan 0.000 0.281 138 P C -0.738 176.651 177.300 0.147 0.000 1.249 138 P CA -0.601 62.559 63.100 0.100 0.000 0.810 138 P CB 0.464 32.201 31.700 0.061 0.000 1.008 139 Y N 1.560 121.898 120.300 0.065 0.000 2.486 139 Y HA 0.242 4.792 4.550 -0.000 0.000 0.348 139 Y C -0.144 175.827 175.900 0.118 0.000 1.000 139 Y CA 0.395 58.558 58.100 0.104 0.000 1.253 139 Y CB 0.197 38.738 38.460 0.136 0.000 1.140 139 Y HN 0.211 nan 8.280 nan 0.000 0.526 140 S N 7.516 123.093 115.700 -0.204 0.000 2.438 140 S HA 0.532 5.002 4.470 -0.000 0.000 0.293 140 S C -1.452 173.111 174.600 -0.063 0.000 1.141 140 S CA -0.405 57.724 58.200 -0.119 0.000 1.080 140 S CB 0.192 63.345 63.200 -0.078 0.000 0.978 140 S HN 0.667 nan 8.310 nan 0.000 0.479 141 Y N -0.576 119.643 120.300 -0.134 0.000 2.702 141 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 141 Y C -0.351 175.539 175.900 -0.018 0.000 1.203 141 Y CA -0.629 57.419 58.100 -0.088 0.000 1.072 141 Y CB 0.443 38.845 38.460 -0.097 0.000 1.327 141 Y HN 1.058 nan 8.280 nan 0.000 0.456 142 G N 1.421 110.313 108.800 0.154 0.000 2.663 142 G HA2 0.183 4.143 3.960 -0.000 0.000 0.686 142 G HA3 0.183 4.143 3.960 -0.000 0.000 0.686 142 G C -2.992 171.926 174.900 0.030 0.000 1.246 142 G CA -0.775 44.370 45.100 0.076 0.000 0.795 142 G HN 0.755 nan 8.290 nan 0.000 0.627 143 P HA 0.374 nan 4.420 nan 0.000 0.270 143 P C -2.243 175.038 177.300 -0.031 0.000 1.223 143 P CA -0.872 62.231 63.100 0.005 0.000 0.785 143 P CB -0.136 31.571 31.700 0.012 0.000 0.923 144 P HA 0.161 nan 4.420 nan 0.000 0.269 144 P C -0.130 177.107 177.300 -0.106 0.000 1.209 144 P CA 0.144 63.206 63.100 -0.062 0.000 0.776 144 P CB 0.374 32.048 31.700 -0.044 0.000 0.876 145 I N -1.519 118.962 120.570 -0.149 0.000 2.648 145 I HA 0.479 4.649 4.170 -0.000 0.000 0.304 145 I C 0.149 176.158 176.117 -0.179 0.000 1.009 145 I CA -1.279 59.870 61.300 -0.252 0.000 1.114 145 I CB 1.564 39.308 38.000 -0.426 0.000 1.293 145 I HN 0.071 nan 8.210 nan 0.000 0.449 146 E N 2.905 122.995 120.200 -0.183 0.000 2.404 146 E HA 0.112 4.462 4.350 -0.000 0.000 0.261 146 E C -0.866 175.673 176.600 -0.102 0.000 1.074 146 E CA -0.167 56.166 56.400 -0.112 0.000 0.917 146 E CB 0.483 30.132 29.700 -0.084 0.000 0.965 146 E HN 0.531 nan 8.360 nan 0.000 0.433 147 D N 3.494 123.852 120.400 -0.071 0.000 2.348 147 D HA 0.162 4.802 4.640 -0.000 0.000 0.253 147 D C -1.767 174.499 176.300 -0.057 0.000 1.161 147 D CA -0.926 53.035 54.000 -0.065 0.000 0.876 147 D CB 0.563 41.334 40.800 -0.049 0.000 1.160 147 D HN 0.166 nan 8.370 nan 0.000 0.459 148 P HA 0.160 nan 4.420 nan 0.000 0.274 148 P C -0.354 176.921 177.300 -0.041 0.000 1.231 148 P CA -0.342 62.730 63.100 -0.046 0.000 0.790 148 P CB 0.416 32.085 31.700 -0.051 0.000 0.951 149 Q N 2.560 122.344 119.800 -0.027 0.000 2.286 149 Q HA 0.181 4.521 4.340 -0.000 0.000 0.267 149 Q C 0.178 176.166 176.000 -0.020 0.000 1.028 149 Q CA 0.048 55.839 55.803 -0.020 0.000 0.901 149 Q CB -0.184 28.546 28.738 -0.013 0.000 1.183 149 Q HN 0.412 nan 8.270 nan 0.000 0.392 150 R N 2.226 122.718 120.500 -0.014 0.000 2.346 150 R HA 0.473 4.813 4.340 -0.000 0.000 0.311 150 R C -0.742 175.563 176.300 0.008 0.000 0.983 150 R CA -0.742 55.356 56.100 -0.003 0.000 0.880 150 R CB 1.345 31.650 30.300 0.007 0.000 1.100 150 R HN 0.705 nan 8.270 nan 0.000 0.453 151 E N 2.951 123.156 120.200 0.008 0.000 2.227 151 E HA 0.212 4.562 4.350 -0.000 0.000 0.268 151 E C -1.890 174.717 176.600 0.013 0.000 0.907 151 E CA -2.225 54.180 56.400 0.007 0.000 0.786 151 E CB 1.892 31.591 29.700 -0.002 0.000 1.191 151 E HN 0.253 nan 8.360 nan 0.000 0.411 152 P HA -0.178 nan 4.420 nan 0.000 0.215 152 P C 0.845 178.145 177.300 0.001 0.000 1.157 152 P CA 1.868 64.974 63.100 0.010 0.000 0.874 152 P CB 0.279 31.980 31.700 0.001 0.000 0.790 153 A N -1.078 121.735 122.820 -0.012 0.000 2.208 153 A HA -0.071 4.249 4.320 -0.000 0.000 0.209 153 A C 1.370 178.941 177.584 -0.021 0.000 1.161 153 A CA 0.062 52.084 52.037 -0.025 0.000 0.782 153 A CB -0.995 17.984 19.000 -0.035 0.000 0.816 153 A HN 0.222 nan 8.150 nan 0.000 0.477 154 Q N 0.936 120.730 119.800 -0.009 0.000 2.352 154 Q HA 0.183 4.523 4.340 -0.000 0.000 0.260 154 Q C -2.546 173.453 176.000 -0.002 0.000 0.976 154 Q CA -1.981 53.816 55.803 -0.010 0.000 0.881 154 Q CB 0.524 29.257 28.738 -0.007 0.000 1.235 154 Q HN 0.098 nan 8.270 nan 0.000 0.419 155 P HA -0.086 nan 4.420 nan 0.000 0.262 155 P C -1.071 176.215 177.300 -0.024 0.000 1.182 155 P CA 0.573 63.669 63.100 -0.006 0.000 0.761 155 P CB 0.908 32.596 31.700 -0.019 0.000 0.795 156 A N 2.813 125.624 122.820 -0.015 0.000 1.964 156 A HA 0.403 4.723 4.320 -0.000 0.000 0.198 156 A C -0.145 177.106 177.584 -0.555 0.000 1.599 156 A CA 0.756 52.684 52.037 -0.183 0.000 0.968 156 A CB 0.175 19.195 19.000 0.033 0.000 1.029 156 A HN 0.434 nan 8.150 nan 0.000 0.508 157 F N -1.011 119.009 119.950 0.118 0.000 2.613 157 F HA 0.667 5.194 4.527 -0.000 0.000 0.310 157 F C -0.654 175.177 175.800 0.052 0.000 1.085 157 F CA -0.736 57.287 58.000 0.038 0.000 0.945 157 F CB 1.838 40.921 39.000 0.138 0.000 1.298 157 F HN -0.087 nan 8.300 nan 0.000 0.455 158 I N 2.408 123.011 120.570 0.055 0.000 2.406 158 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 158 I C -1.231 174.765 176.117 -0.203 0.000 0.999 158 I CA -0.374 60.919 61.300 -0.011 0.000 1.124 158 I CB 1.377 39.333 38.000 -0.075 0.000 1.289 158 I HN 0.377 nan 8.210 nan 0.000 0.441 159 F N 4.688 124.619 119.950 -0.032 0.000 2.563 159 F HA 0.535 5.062 4.527 -0.000 0.000 0.316 159 F C -0.652 175.085 175.800 -0.105 0.000 1.076 159 F CA -0.656 57.355 58.000 0.018 0.000 0.921 159 F CB 1.620 40.637 39.000 0.028 0.000 1.209 159 F HN 0.188 nan 8.300 nan 0.000 0.462 160 Y N 0.447 120.853 120.300 0.177 0.000 2.387 160 Y HA 0.442 4.991 4.550 -0.000 0.000 0.336 160 Y C 0.804 176.737 175.900 0.055 0.000 1.067 160 Y CA -0.959 57.195 58.100 0.089 0.000 1.114 160 Y CB 1.632 40.111 38.460 0.033 0.000 1.208 160 Y HN 0.662 nan 8.280 nan 0.000 0.458 161 T N -1.808 112.826 114.554 0.134 0.000 2.833 161 T HA 0.612 4.962 4.350 -0.000 0.000 0.312 161 T C 0.874 175.608 174.700 0.056 0.000 1.085 161 T CA -0.410 61.718 62.100 0.047 0.000 0.955 161 T CB 0.013 68.877 68.868 -0.006 0.000 1.353 161 T HN 0.844 nan 8.240 nan 0.000 0.544 167 L N 3.089 124.307 121.223 -0.009 0.000 2.439 167 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 167 L C -1.839 175.037 176.870 0.009 0.000 1.179 167 L CA -1.361 53.478 54.840 -0.001 0.000 0.828 167 L CB 0.799 42.860 42.059 0.004 0.000 1.106 167 L HN 0.185 nan 8.230 nan 0.000 0.467 168 P HA 0.071 nan 4.420 nan 0.000 0.267 168 P C -1.165 176.214 177.300 0.132 0.000 1.200 168 P CA -0.013 63.143 63.100 0.094 0.000 0.772 168 P CB 0.414 32.207 31.700 0.156 0.000 0.855 169 K N 1.074 121.487 120.400 0.021 0.000 2.123 169 K HA 0.627 4.947 4.320 -0.000 0.000 0.259 169 K C -0.356 176.164 176.600 -0.133 0.000 0.960 169 K CA -0.876 55.346 56.287 -0.108 0.000 0.872 169 K CB 1.668 33.862 32.500 -0.509 0.000 1.079 169 K HN 0.371 nan 8.250 nan 0.000 0.440 170 A N 2.044 124.751 122.820 -0.190 0.000 2.650 170 A HA 0.410 4.730 4.320 -0.000 0.000 0.320 170 A C -0.011 177.552 177.584 -0.036 0.000 1.466 170 A CA -0.498 51.236 52.037 -0.505 0.000 1.099 170 A CB -0.263 18.490 19.000 -0.412 0.000 1.136 170 A HN 0.717 nan 8.150 nan 0.000 0.532 171 A N 3.372 126.216 122.820 0.040 0.000 2.404 171 A HA 0.544 4.864 4.320 -0.000 0.000 0.273 171 A C 0.058 177.748 177.584 0.175 0.000 1.144 171 A CA -0.202 51.972 52.037 0.229 0.000 0.806 171 A CB -0.279 18.772 19.000 0.086 0.000 1.080 171 A HN 0.744 nan 8.150 nan 0.000 0.509 172 I N 4.198 124.885 120.570 0.195 0.000 2.337 172 I HA 0.159 4.329 4.170 -0.000 0.000 0.291 172 I C -0.378 175.832 176.117 0.154 0.000 1.046 172 I CA -0.269 61.104 61.300 0.121 0.000 1.324 172 I CB 0.744 38.764 38.000 0.034 0.000 1.409 172 I HN 0.406 nan 8.210 nan 0.000 0.494 173 I N 9.148 129.846 120.570 0.212 0.000 2.312 173 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 173 I C -2.057 174.167 176.117 0.178 0.000 1.008 173 I CA -2.658 58.774 61.300 0.219 0.000 1.226 173 I CB 0.671 38.901 38.000 0.383 0.000 1.371 173 I HN 0.260 nan 8.210 nan 0.000 0.468 174 P HA 0.178 nan 4.420 nan 0.000 0.276 174 P C 0.302 177.662 177.300 0.099 0.000 1.252 174 P CA -0.386 62.749 63.100 0.058 0.000 0.802 174 P CB 1.125 32.824 31.700 -0.002 0.000 1.035 175 Q N 1.295 121.150 119.800 0.092 0.000 2.135 175 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 175 Q C 1.995 178.057 176.000 0.104 0.000 0.981 175 Q CA 1.812 57.695 55.803 0.133 0.000 0.856 175 Q CB -0.509 28.292 28.738 0.105 0.000 0.902 175 Q HN 0.616 nan 8.270 nan 0.000 0.425 176 R N 0.055 120.581 120.500 0.043 0.000 2.285 176 R HA 0.107 4.447 4.340 -0.000 0.000 0.213 176 R C 1.806 178.082 176.300 -0.039 0.000 1.068 176 R CA 0.986 57.090 56.100 0.007 0.000 1.004 176 R CB -0.233 30.059 30.300 -0.013 0.000 0.873 176 R HN 0.102 nan 8.270 nan 0.000 0.467 177 A N 1.349 124.136 122.820 -0.056 0.000 2.021 177 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 177 A C 2.418 179.851 177.584 -0.252 0.000 1.163 177 A CA 0.817 52.750 52.037 -0.174 0.000 0.676 177 A CB -0.311 18.570 19.000 -0.198 0.000 0.818 177 A HN 0.476 nan 8.150 nan 0.000 0.453 178 A N 0.170 122.928 122.820 -0.104 0.000 1.883 178 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 178 A C 1.972 179.530 177.584 -0.044 0.000 1.186 178 A CA 1.937 53.958 52.037 -0.027 0.000 0.624 178 A CB -0.618 18.536 19.000 0.255 0.000 0.822 178 A HN 0.623 nan 8.150 nan 0.000 0.444 179 E N -0.054 120.129 120.200 -0.028 0.000 2.038 179 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 179 E C 2.297 178.843 176.600 -0.090 0.000 1.000 179 E CA 1.844 58.233 56.400 -0.017 0.000 0.803 179 E CB -0.115 29.593 29.700 0.013 0.000 0.750 179 E HN 0.780 nan 8.360 nan 0.000 0.448 180 S N -0.102 115.433 115.700 -0.276 0.000 2.461 180 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 180 S C 1.800 176.216 174.600 -0.308 0.000 1.005 180 S CA 0.337 58.161 58.200 -0.627 0.000 0.942 180 S CB -0.127 62.293 63.200 -1.300 0.000 0.776 180 S HN 0.179 nan 8.310 nan 0.000 0.514 181 R N 0.303 120.662 120.500 -0.235 0.000 2.235 181 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 181 R C 1.651 178.051 176.300 0.166 0.000 1.059 181 R CA 0.873 56.908 56.100 -0.107 0.000 0.997 181 R CB -0.247 29.719 30.300 -0.558 0.000 0.884 181 R HN 0.364 nan 8.270 nan 0.000 0.462 182 V N 0.372 120.327 119.914 0.068 0.000 2.581 182 V HA -0.063 4.057 4.120 -0.000 0.000 0.240 182 V C 1.942 178.024 176.094 -0.019 0.000 1.054 182 V CA 0.958 63.275 62.300 0.029 0.000 1.076 182 V CB -0.042 31.794 31.823 0.021 0.000 0.748 182 V HN 0.221 nan 8.190 nan 0.000 0.474 183 L N 0.132 121.403 121.223 0.080 0.000 2.376 183 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 183 L C 1.491 178.509 176.870 0.246 0.000 1.133 183 L CA 0.435 55.367 54.840 0.153 0.000 0.816 183 L CB -0.526 41.705 42.059 0.287 0.000 0.933 183 L HN 0.472 nan 8.230 nan 0.000 0.449 187 T N 0.171 114.648 114.554 -0.129 0.000 2.821 187 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 187 T C 1.673 176.274 174.700 -0.165 0.000 1.046 187 T CA 1.754 63.749 62.100 -0.175 0.000 1.139 187 T CB -0.348 68.368 68.868 -0.252 0.000 0.871 187 T HN 0.352 nan 8.240 nan 0.000 0.454 188 Q N 0.175 119.861 119.800 -0.190 0.000 2.200 188 Q HA 0.319 4.659 4.340 -0.000 0.000 0.197 188 Q C 2.413 178.307 176.000 -0.177 0.000 0.953 188 Q CA 0.754 56.301 55.803 -0.426 0.000 0.851 188 Q CB 0.012 28.493 28.738 -0.429 0.000 0.938 188 Q HN 0.436 nan 8.270 nan 0.000 0.488 189 V N -1.254 118.575 119.914 -0.140 0.000 3.354 189 V HA 0.235 4.355 4.120 -0.000 0.000 0.258 189 V C 1.149 177.166 176.094 -0.127 0.000 1.159 189 V CA 0.976 63.210 62.300 -0.111 0.000 1.125 189 V CB 0.164 31.873 31.823 -0.190 0.000 0.774 189 V HN 0.548 nan 8.190 nan 0.000 0.464 190 G N 0.537 109.255 108.800 -0.137 0.000 2.141 190 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 190 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 190 G C 0.120 174.916 174.900 -0.173 0.000 0.982 190 G CA 0.072 45.122 45.100 -0.084 0.000 0.662 190 G HN 0.407 nan 8.290 nan 0.000 0.527 191 L N 0.325 121.359 121.223 -0.315 0.000 2.467 191 L HA 0.521 4.860 4.340 -0.000 0.000 0.270 191 L C 1.277 178.107 176.870 -0.066 0.000 1.205 191 L CA 0.109 54.808 54.840 -0.236 0.000 0.828 191 L CB 0.417 42.328 42.059 -0.247 0.000 1.101 191 L HN 0.586 nan 8.230 nan 0.000 0.479 192 R N 0.342 120.869 120.500 0.045 0.000 2.817 192 R HA 0.394 4.734 4.340 -0.000 0.000 0.268 192 R C -0.598 175.778 176.300 0.127 0.000 1.027 192 R CA -0.988 55.164 56.100 0.088 0.000 0.928 192 R CB 1.311 31.674 30.300 0.104 0.000 1.228 192 R HN 0.560 nan 8.270 nan 0.000 0.469 193 H N 0.015 119.108 119.070 0.039 0.000 2.897 193 H HA 0.378 4.934 4.556 -0.000 0.000 0.347 193 H C -0.299 175.072 175.328 0.072 0.000 1.068 193 H CA 1.960 58.013 56.048 0.009 0.000 1.426 193 H CB 0.790 30.546 29.762 -0.009 0.000 1.410 193 H HN 0.907 nan 8.280 nan 0.000 0.597 194 G N 3.939 112.304 108.800 -0.725 0.000 2.352 194 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.305 194 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.305 194 G C 0.059 174.630 174.900 -0.548 0.000 1.537 194 G CA -0.739 44.077 45.100 -0.474 0.000 0.959 194 G HN 0.602 nan 8.290 nan 0.000 0.668 195 R N -0.185 120.095 120.500 -0.366 0.000 2.323 195 R HA 0.010 4.350 4.340 -0.000 0.000 0.198 195 R C 2.065 178.254 176.300 -0.185 0.000 0.988 195 R CA 0.934 56.759 56.100 -0.457 0.000 1.041 195 R CB -0.178 29.742 30.300 -0.633 0.000 0.926 195 R HN 0.765 nan 8.270 nan 0.000 0.476 196 H N -0.452 118.570 119.070 -0.080 0.000 2.491 196 H HA 0.042 4.598 4.556 -0.000 0.000 0.290 196 H C -0.009 175.339 175.328 0.033 0.000 1.050 196 H CA 0.271 56.319 56.048 -0.001 0.000 1.309 196 H CB -0.279 29.480 29.762 -0.004 0.000 1.392 196 H HN -0.050 nan 8.280 nan 0.000 0.554 197 N N 1.966 120.330 118.700 -0.560 0.000 2.434 197 N HA 0.060 4.800 4.740 -0.000 0.000 0.268 197 N C -0.874 174.609 175.510 -0.044 0.000 1.256 197 N CA 0.230 53.105 53.050 -0.291 0.000 0.914 197 N CB 1.613 39.896 38.487 -0.340 0.000 1.088 197 N HN 0.074 nan 8.380 nan 0.000 0.478 198 V N 3.576 123.502 119.914 0.020 0.000 2.409 198 V HA 0.241 4.360 4.120 -0.000 0.000 0.290 198 V C 0.062 176.175 176.094 0.031 0.000 1.017 198 V CA -0.792 61.529 62.300 0.034 0.000 0.841 198 V CB 1.876 33.723 31.823 0.039 0.000 1.003 198 V HN 0.220 nan 8.190 nan 0.000 0.426 199 V N 6.056 125.984 119.914 0.023 0.000 2.370 199 V HA 0.410 4.530 4.120 -0.000 0.000 0.283 199 V C -0.130 175.931 176.094 -0.056 0.000 1.023 199 V CA -0.638 61.679 62.300 0.028 0.000 0.857 199 V CB 1.712 33.584 31.823 0.081 0.000 0.985 199 V HN 0.666 nan 8.190 nan 0.000 0.443 200 L N 4.772 125.973 121.223 -0.036 0.000 2.313 200 L HA 0.569 4.909 4.340 -0.000 0.000 0.282 200 L C 1.075 177.874 176.870 -0.119 0.000 1.092 200 L CA 0.532 55.317 54.840 -0.093 0.000 0.831 200 L CB 1.033 43.086 42.059 -0.010 0.000 1.159 200 L HN 0.714 nan 8.230 nan 0.000 0.442 201 G N 6.733 115.339 108.800 -0.323 0.000 3.343 201 G HA2 0.321 4.281 3.960 -0.000 0.000 0.264 201 G HA3 0.321 4.281 3.960 -0.000 0.000 0.264 201 G C 0.203 175.081 174.900 -0.036 0.000 0.884 201 G CA -0.441 44.505 45.100 -0.256 0.000 1.916 201 G HN 0.546 nan 8.290 nan 0.000 0.618 205 L N 0.410 121.519 121.223 -0.190 0.000 2.362 205 L HA -0.099 4.241 4.340 -0.000 0.000 0.219 205 L C 1.491 178.433 176.870 0.121 0.000 1.134 205 L CA 0.999 55.859 54.840 0.035 0.000 0.807 205 L CB -0.528 41.600 42.059 0.114 0.000 0.927 205 L HN 0.585 nan 8.230 nan 0.000 0.447 206 Y N -3.514 116.898 120.300 0.187 0.000 2.490 206 Y HA 0.199 4.748 4.550 -0.000 0.000 0.281 206 Y C 1.089 177.222 175.900 0.389 0.000 1.174 206 Y CA -0.622 57.595 58.100 0.194 0.000 1.295 206 Y CB -0.841 37.667 38.460 0.081 0.000 1.062 206 Y HN 0.042 nan 8.280 nan 0.000 0.522 207 H N 1.661 120.791 119.070 0.100 0.000 2.457 207 H HA 0.228 4.784 4.556 -0.000 0.000 0.335 207 H C 1.329 176.617 175.328 -0.066 0.000 1.115 207 H CA -0.252 55.827 56.048 0.051 0.000 1.219 207 H CB 2.482 32.170 29.762 -0.123 0.000 1.471 207 H HN 0.162 nan 8.280 nan 0.000 0.491 208 V N 3.328 123.137 119.914 -0.174 0.000 2.469 208 V HA -0.188 3.932 4.120 -0.000 0.000 0.251 208 V C 1.929 178.046 176.094 0.038 0.000 1.064 208 V CA 1.689 63.776 62.300 -0.355 0.000 1.066 208 V CB -1.176 30.383 31.823 -0.441 0.000 0.667 208 V HN 0.448 nan 8.190 nan 0.000 0.461 209 V N 1.906 121.920 119.914 0.166 0.000 2.270 209 V HA -0.074 4.045 4.120 -0.000 0.000 0.245 209 V C 3.000 178.968 176.094 -0.209 0.000 1.043 209 V CA 2.370 64.567 62.300 -0.171 0.000 1.014 209 V CB -1.584 29.844 31.823 -0.658 0.000 0.645 209 V HN 0.633 nan 8.190 nan 0.000 0.447 210 G N -1.295 107.389 108.800 -0.193 0.000 2.475 210 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 210 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 210 G C 1.485 176.362 174.900 -0.037 0.000 1.125 210 G CA 1.201 46.235 45.100 -0.110 0.000 0.755 210 G HN 0.476 nan 8.290 nan 0.000 0.565 211 F N 0.130 119.966 119.950 -0.190 0.000 2.138 211 F HA 0.305 4.831 4.527 -0.000 0.000 0.283 211 F C 2.355 177.919 175.800 -0.394 0.000 1.100 211 F CA 0.690 58.486 58.000 -0.340 0.000 1.189 211 F CB -0.238 38.532 39.000 -0.383 0.000 1.060 211 F HN 0.084 nan 8.300 nan 0.000 0.492 212 F N 0.506 120.326 119.950 -0.216 0.000 2.098 212 F HA 0.013 4.540 4.527 -0.000 0.000 0.294 212 F C 2.546 178.225 175.800 -0.202 0.000 1.107 212 F CA 1.213 59.046 58.000 -0.278 0.000 1.234 212 F CB -1.173 37.750 39.000 -0.129 0.000 1.002 212 F HN 0.059 nan 8.300 nan 0.000 0.472 213 A N -0.703 122.170 122.820 0.088 0.000 2.119 213 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 213 A C 1.921 179.477 177.584 -0.047 0.000 1.152 213 A CA 1.346 53.399 52.037 0.026 0.000 0.708 213 A CB -0.596 18.484 19.000 0.134 0.000 0.805 213 A HN 0.207 nan 8.150 nan 0.000 0.460 214 V N -1.375 118.494 119.914 -0.075 0.000 3.050 214 V HA 0.050 4.170 4.120 -0.000 0.000 0.223 214 V C 2.104 178.176 176.094 -0.036 0.000 1.162 214 V CA 0.784 63.083 62.300 -0.002 0.000 1.247 214 V CB -0.789 31.063 31.823 0.048 0.000 1.125 214 V HN 0.444 nan 8.190 nan 0.000 0.508 215 L N 0.659 121.739 121.223 -0.238 0.000 1.976 215 L HA -0.101 4.238 4.340 -0.000 0.000 0.209 215 L C 2.284 178.881 176.870 -0.455 0.000 1.071 215 L CA 2.279 56.766 54.840 -0.587 0.000 0.746 215 L CB -0.575 40.957 42.059 -0.879 0.000 0.890 215 L HN 0.142 nan 8.230 nan 0.000 0.432 216 V N 0.272 119.856 119.914 -0.551 0.000 2.358 216 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 216 V C 2.835 178.812 176.094 -0.195 0.000 1.047 216 V CA 1.556 63.599 62.300 -0.429 0.000 1.035 216 V CB -1.489 30.007 31.823 -0.546 0.000 0.658 216 V HN 0.635 nan 8.190 nan 0.000 0.452 217 A N 0.267 122.998 122.820 -0.149 0.000 1.883 217 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 217 A C 2.464 180.013 177.584 -0.059 0.000 1.186 217 A CA 2.398 54.382 52.037 -0.088 0.000 0.624 217 A CB -0.922 18.018 19.000 -0.100 0.000 0.822 217 A HN 0.589 nan 8.150 nan 0.000 0.444 218 A N -0.274 122.521 122.820 -0.040 0.000 1.865 218 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 218 A C 2.200 179.805 177.584 0.035 0.000 1.191 218 A CA 1.747 53.793 52.037 0.016 0.000 0.623 218 A CB -0.673 18.393 19.000 0.111 0.000 0.826 218 A HN 0.506 nan 8.150 nan 0.000 0.444 219 L N -1.120 120.113 121.223 0.017 0.000 2.109 219 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 219 L C 3.014 179.975 176.870 0.151 0.000 1.086 219 L CA 0.850 55.766 54.840 0.127 0.000 0.760 219 L CB -0.587 41.481 42.059 0.016 0.000 0.910 219 L HN 0.403 nan 8.230 nan 0.000 0.437 220 A N 0.170 123.018 122.820 0.047 0.000 2.019 220 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 220 A C 2.056 179.670 177.584 0.051 0.000 1.164 220 A CA 1.309 53.374 52.037 0.047 0.000 0.644 220 A CB -0.563 18.449 19.000 0.020 0.000 0.805 220 A HN 0.421 nan 8.150 nan 0.000 0.449 221 L N -0.994 120.234 121.223 0.008 0.000 2.611 221 L HA 0.109 4.449 4.340 -0.000 0.000 0.229 221 L C -0.331 176.396 176.870 -0.238 0.000 1.137 221 L CA 0.020 54.827 54.840 -0.054 0.000 0.901 221 L CB -0.133 41.867 42.059 -0.098 0.000 1.098 221 L HN 0.244 nan 8.230 nan 0.000 0.456 222 D N -0.547 119.772 120.400 -0.134 0.000 3.017 222 D HA -0.129 4.511 4.640 -0.000 0.000 0.220 222 D C 0.556 176.790 176.300 -0.109 0.000 1.141 222 D CA 1.074 54.923 54.000 -0.251 0.000 0.848 222 D CB -1.285 39.288 40.800 -0.380 0.000 1.102 222 D HN 0.477 nan 8.370 nan 0.000 0.427 223 G N -1.408 107.431 108.800 0.066 0.000 2.828 223 G HA2 0.685 4.645 3.960 -0.000 0.000 0.244 223 G HA3 0.685 4.645 3.960 -0.000 0.000 0.244 223 G C -0.370 174.693 174.900 0.271 0.000 1.365 223 G CA -0.255 44.922 45.100 0.129 0.000 1.041 223 G HN 0.065 nan 8.290 nan 0.000 0.560 224 T N -0.253 114.392 114.554 0.151 0.000 2.807 224 T HA 0.383 4.733 4.350 -0.000 0.000 0.279 224 T C -1.543 173.212 174.700 0.092 0.000 0.993 224 T CA -0.064 62.086 62.100 0.083 0.000 0.970 224 T CB 1.431 70.312 68.868 0.021 0.000 0.950 224 T HN 0.364 nan 8.240 nan 0.000 0.441 225 Y N 3.526 123.797 120.300 -0.049 0.000 2.367 225 Y HA 0.531 5.081 4.550 -0.000 0.000 0.342 225 Y C -0.643 175.238 175.900 -0.033 0.000 0.979 225 Y CA -0.848 57.226 58.100 -0.043 0.000 1.161 225 Y CB 0.618 39.040 38.460 -0.063 0.000 1.155 225 Y HN 0.374 nan 8.280 nan 0.000 0.503 226 V N 7.793 127.458 119.914 -0.415 0.000 2.385 226 V HA 0.192 4.311 4.120 -0.000 0.000 0.269 226 V C -0.193 175.571 176.094 -0.551 0.000 1.043 226 V CA -0.860 61.235 62.300 -0.341 0.000 0.906 226 V CB 0.820 32.524 31.823 -0.197 0.000 0.995 226 V HN 0.594 nan 8.190 nan 0.000 0.467 227 V N 6.240 125.969 119.914 -0.309 0.000 2.555 227 V HA 0.241 4.361 4.120 -0.000 0.000 0.286 227 V C 0.141 176.175 176.094 -0.100 0.000 1.044 227 V CA -0.106 62.089 62.300 -0.175 0.000 1.026 227 V CB 1.520 33.364 31.823 0.035 0.000 0.981 227 V HN 0.614 nan 8.190 nan 0.000 0.480 228 V N 5.088 124.967 119.914 -0.058 0.000 2.409 228 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 228 V C 0.679 176.803 176.094 0.051 0.000 1.017 228 V CA -0.387 61.913 62.300 0.001 0.000 0.841 228 V CB 1.287 33.124 31.823 0.023 0.000 1.003 228 V HN 0.969 nan 8.190 nan 0.000 0.426 229 E N 2.696 122.926 120.200 0.051 0.000 2.170 229 E HA 0.035 4.384 4.350 -0.000 0.000 0.191 229 E C 0.664 177.315 176.600 0.084 0.000 0.981 229 E CA 0.499 56.941 56.400 0.071 0.000 0.830 229 E CB 0.783 30.517 29.700 0.056 0.000 0.775 229 E HN 0.728 nan 8.360 nan 0.000 0.470 230 E N 0.257 120.500 120.200 0.071 0.000 2.275 230 E HA 0.144 4.494 4.350 -0.000 0.000 0.270 230 E C -1.537 175.114 176.600 0.085 0.000 0.882 230 E CA -0.602 55.848 56.400 0.083 0.000 0.758 230 E CB 1.211 30.938 29.700 0.045 0.000 1.195 230 E HN -0.120 nan 8.360 nan 0.000 0.419 231 F N 4.407 124.334 119.950 -0.037 0.000 2.467 231 F HA 0.388 4.915 4.527 -0.000 0.000 0.362 231 F C -0.469 175.263 175.800 -0.113 0.000 1.090 231 F CA 0.029 57.953 58.000 -0.126 0.000 1.202 231 F CB 0.452 39.274 39.000 -0.297 0.000 1.113 231 F HN 0.398 nan 8.300 nan 0.000 0.541 232 R N 7.005 126.915 120.500 -0.983 0.000 2.510 232 R HA 0.221 4.561 4.340 -0.000 0.000 0.287 232 R C -2.209 173.534 176.300 -0.927 0.000 1.084 232 R CA -1.547 54.071 56.100 -0.805 0.000 0.934 232 R CB 1.849 31.937 30.300 -0.354 0.000 1.201 232 R HN 0.328 nan 8.270 nan 0.000 0.431 233 P HA -0.151 nan 4.420 nan 0.000 0.215 233 P C 1.227 178.381 177.300 -0.244 0.000 1.153 233 P CA 0.820 63.624 63.100 -0.493 0.000 0.853 233 P CB 0.348 31.929 31.700 -0.198 0.000 0.788 234 V N 0.285 120.086 119.914 -0.188 0.000 2.307 234 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 234 V C 1.832 177.858 176.094 -0.114 0.000 1.045 234 V CA 2.303 64.539 62.300 -0.108 0.000 1.024 234 V CB -1.485 30.289 31.823 -0.081 0.000 0.651 234 V HN 0.050 nan 8.190 nan 0.000 0.449 235 D N 0.548 120.853 120.400 -0.157 0.000 2.144 235 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 235 D C 2.174 178.406 176.300 -0.113 0.000 0.984 235 D CA 1.520 55.443 54.000 -0.129 0.000 0.834 235 D CB -0.323 40.391 40.800 -0.143 0.000 0.955 235 D HN 0.439 nan 8.370 nan 0.000 0.465 236 A N 0.217 122.943 122.820 -0.156 0.000 1.902 236 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 236 A C 2.165 179.734 177.584 -0.025 0.000 1.181 236 A CA 0.916 52.910 52.037 -0.072 0.000 0.623 236 A CB -0.712 18.270 19.000 -0.031 0.000 0.818 236 A HN 0.203 nan 8.150 nan 0.000 0.443 237 L N -0.885 120.320 121.223 -0.030 0.000 2.093 237 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 237 L C 2.840 179.705 176.870 -0.008 0.000 1.085 237 L CA 1.268 56.106 54.840 -0.004 0.000 0.755 237 L CB -0.620 41.440 42.059 0.001 0.000 0.904 237 L HN 0.489 nan 8.230 nan 0.000 0.435 238 Q N 0.004 119.790 119.800 -0.023 0.000 2.124 238 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 238 Q C 2.370 178.359 176.000 -0.018 0.000 0.977 238 Q CA 1.285 57.076 55.803 -0.021 0.000 0.850 238 Q CB -0.142 28.578 28.738 -0.030 0.000 0.901 238 Q HN 0.526 nan 8.270 nan 0.000 0.429 239 L N -0.047 121.162 121.223 -0.023 0.000 2.093 239 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 239 L C 2.333 179.197 176.870 -0.010 0.000 1.085 239 L CA 0.607 55.434 54.840 -0.021 0.000 0.755 239 L CB -0.403 41.638 42.059 -0.029 0.000 0.904 239 L HN 0.118 nan 8.230 nan 0.000 0.435 240 V N -0.194 119.720 119.914 0.000 0.000 2.282 240 V HA -0.387 3.733 4.120 -0.000 0.000 0.249 240 V C 2.472 178.572 176.094 0.010 0.000 1.057 240 V CA 2.182 64.489 62.300 0.011 0.000 1.032 240 V CB -0.533 31.303 31.823 0.022 0.000 0.645 240 V HN 0.548 nan 8.190 nan 0.000 0.447 241 Q N -0.516 119.288 119.800 0.006 0.000 2.016 241 Q HA -0.282 4.058 4.340 -0.000 0.000 0.200 241 Q C 2.434 178.437 176.000 0.004 0.000 0.978 241 Q CA 2.169 57.976 55.803 0.007 0.000 0.833 241 Q CB -0.168 28.573 28.738 0.005 0.000 0.895 241 Q HN 0.750 nan 8.270 nan 0.000 0.427 242 Q N -0.406 119.393 119.800 -0.002 0.000 2.084 242 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 242 Q C 1.098 177.097 176.000 -0.003 0.000 0.978 242 Q CA 1.393 57.194 55.803 -0.004 0.000 0.844 242 Q CB 0.223 28.954 28.738 -0.011 0.000 0.898 242 Q HN 0.313 nan 8.270 nan 0.000 0.426 243 E N 0.057 120.254 120.200 -0.004 0.000 2.474 243 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 243 E C -0.228 176.378 176.600 0.010 0.000 1.039 243 E CA 0.063 56.460 56.400 -0.004 0.000 0.881 243 E CB 0.609 30.299 29.700 -0.017 0.000 0.970 243 E HN 0.321 nan 8.360 nan 0.000 0.486 244 Q N 0.121 119.931 119.800 0.016 0.000 2.452 244 Q HA -0.152 4.188 4.340 -0.000 0.000 0.318 244 Q C -0.271 175.752 176.000 0.038 0.000 1.386 244 Q CA 0.338 56.158 55.803 0.029 0.000 0.872 244 Q CB -2.442 26.318 28.738 0.036 0.000 1.151 244 Q HN 0.081 nan 8.270 nan 0.000 0.417 245 V N 1.147 121.079 119.914 0.030 0.000 2.617 245 V HA -0.044 4.076 4.120 -0.000 0.000 0.304 245 V C 1.954 178.083 176.094 0.059 0.000 1.040 245 V CA 1.604 63.927 62.300 0.038 0.000 1.149 245 V CB 0.994 32.835 31.823 0.029 0.000 0.914 245 V HN 0.683 nan 8.190 nan 0.000 0.487 246 T N -0.337 114.268 114.554 0.085 0.000 3.015 246 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 246 T C 0.546 175.348 174.700 0.170 0.000 1.057 246 T CA 0.448 62.623 62.100 0.125 0.000 1.066 246 T CB 0.264 69.247 68.868 0.190 0.000 0.959 246 T HN 0.805 nan 8.240 nan 0.000 0.488 247 S N 1.316 117.105 115.700 0.148 0.000 2.536 247 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 247 S C -1.356 173.315 174.600 0.119 0.000 1.134 247 S CA -1.171 57.130 58.200 0.168 0.000 0.897 247 S CB 2.097 65.399 63.200 0.171 0.000 1.094 247 S HN 0.698 nan 8.310 nan 0.000 0.473 248 L N -0.500 120.797 121.223 0.123 0.000 2.422 248 L HA 0.926 5.266 4.340 -0.000 0.000 0.264 248 L C -1.538 175.428 176.870 0.160 0.000 0.984 248 L CA -0.837 54.084 54.840 0.135 0.000 0.819 248 L CB 1.437 43.567 42.059 0.118 0.000 1.330 248 L HN 0.672 nan 8.230 nan 0.000 0.410 249 F N 2.430 122.417 119.950 0.061 0.000 2.449 249 F HA 0.913 5.440 4.527 -0.000 0.000 0.342 249 F C -0.093 175.735 175.800 0.046 0.000 1.127 249 F CA -0.330 57.705 58.000 0.060 0.000 0.975 249 F CB 1.531 40.545 39.000 0.024 0.000 1.146 249 F HN 1.015 nan 8.300 nan 0.000 0.444 250 A N 2.643 125.695 122.820 0.387 0.000 2.566 250 A HA 0.700 5.019 4.320 -0.000 0.000 0.292 250 A C -0.465 177.225 177.584 0.177 0.000 1.112 250 A CA -0.446 51.724 52.037 0.222 0.000 0.707 250 A CB 0.933 20.020 19.000 0.144 0.000 1.302 250 A HN 0.724 nan 8.150 nan 0.000 0.409 251 T N -0.775 113.766 114.554 -0.022 0.000 2.860 251 T HA 0.391 4.741 4.350 -0.000 0.000 0.299 251 T C -1.876 172.789 174.700 -0.059 0.000 1.045 251 T CA -0.847 61.205 62.100 -0.079 0.000 1.071 251 T CB 0.446 69.134 68.868 -0.299 0.000 0.985 251 T HN 0.262 nan 8.240 nan 0.000 0.537 252 P HA -0.085 nan 4.420 nan 0.000 0.216 252 P C 1.712 178.973 177.300 -0.065 0.000 1.153 252 P CA 1.147 64.196 63.100 -0.085 0.000 0.858 252 P CB -0.244 31.424 31.700 -0.054 0.000 0.789 253 T N -1.777 112.738 114.554 -0.065 0.000 2.708 253 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 253 T C 1.572 176.312 174.700 0.068 0.000 1.037 253 T CA 1.412 63.502 62.100 -0.017 0.000 1.146 253 T CB -1.025 67.815 68.868 -0.048 0.000 0.865 253 T HN 0.369 nan 8.240 nan 0.000 0.435 254 H N 0.176 119.154 119.070 -0.155 0.000 2.389 254 H HA 0.070 4.626 4.556 -0.000 0.000 0.299 254 H C 2.290 177.596 175.328 -0.036 0.000 1.081 254 H CA 0.760 56.654 56.048 -0.258 0.000 1.345 254 H CB -0.088 29.295 29.762 -0.633 0.000 1.393 254 H HN 0.216 nan 8.280 nan 0.000 0.520 255 L N 0.225 121.487 121.223 0.065 0.000 2.083 255 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 255 L C 2.212 179.093 176.870 0.017 0.000 1.083 255 L CA 1.217 56.067 54.840 0.016 0.000 0.752 255 L CB -0.236 41.758 42.059 -0.109 0.000 0.899 255 L HN 0.271 nan 8.230 nan 0.000 0.433 256 D N -0.071 120.336 120.400 0.012 0.000 2.117 256 D HA -0.180 4.459 4.640 -0.000 0.000 0.197 256 D C 2.163 178.498 176.300 0.058 0.000 0.987 256 D CA 1.362 55.374 54.000 0.021 0.000 0.829 256 D CB 0.146 40.955 40.800 0.016 0.000 0.961 256 D HN 0.259 nan 8.370 nan 0.000 0.460 257 A N -0.013 122.877 122.820 0.118 0.000 1.902 257 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 257 A C 2.385 180.042 177.584 0.122 0.000 1.181 257 A CA 1.103 53.231 52.037 0.151 0.000 0.623 257 A CB -0.836 18.338 19.000 0.291 0.000 0.818 257 A HN 0.347 nan 8.150 nan 0.000 0.443 258 L N -0.825 120.495 121.223 0.162 0.000 2.046 258 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 258 L C 3.118 180.013 176.870 0.041 0.000 1.077 258 L CA 1.055 55.964 54.840 0.115 0.000 0.747 258 L CB -0.589 41.561 42.059 0.152 0.000 0.896 258 L HN 0.436 nan 8.230 nan 0.000 0.432 259 A N 0.110 122.950 122.820 0.033 0.000 1.902 259 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 259 A C 2.540 180.059 177.584 -0.108 0.000 1.181 259 A CA 1.842 53.889 52.037 0.017 0.000 0.623 259 A CB -0.754 18.282 19.000 0.059 0.000 0.818 259 A HN 0.406 nan 8.150 nan 0.000 0.443 260 A N -0.173 122.585 122.820 -0.103 0.000 1.902 260 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 260 A C 2.488 179.912 177.584 -0.267 0.000 1.181 260 A CA 2.139 54.062 52.037 -0.190 0.000 0.623 260 A CB -1.019 17.938 19.000 -0.071 0.000 0.818 260 A HN 1.124 nan 8.150 nan 0.000 0.443 261 A N -0.527 122.233 122.820 -0.100 0.000 2.015 261 A HA 0.253 4.573 4.320 -0.000 0.000 0.219 261 A C 2.273 179.810 177.584 -0.079 0.000 1.163 261 A CA 1.728 53.761 52.037 -0.007 0.000 0.646 261 A CB -0.662 18.355 19.000 0.028 0.000 0.806 261 A HN 1.046 nan 8.150 nan 0.000 0.448 262 A N -0.813 121.926 122.820 -0.137 0.000 2.169 262 A HA 0.469 4.789 4.320 -0.000 0.000 0.212 262 A C 2.057 179.514 177.584 -0.213 0.000 1.153 262 A CA 1.092 53.070 52.037 -0.100 0.000 0.756 262 A CB -0.460 18.529 19.000 -0.018 0.000 0.813 262 A HN 0.881 nan 8.150 nan 0.000 0.471 263 A N -0.394 122.117 122.820 -0.516 0.000 2.208 263 A HA 0.123 4.443 4.320 -0.000 0.000 0.209 263 A C 0.608 177.935 177.584 -0.429 0.000 1.161 263 A CA -0.203 51.450 52.037 -0.640 0.000 0.782 263 A CB -0.474 17.896 19.000 -1.050 0.000 0.816 263 A HN 0.590 nan 8.150 nan 0.000 0.477 264 H N -0.543 118.474 119.070 -0.089 0.000 2.722 264 H HA 0.384 4.939 4.556 -0.000 0.000 0.328 264 H C 1.328 176.644 175.328 -0.020 0.000 1.067 264 H CA 0.308 56.327 56.048 -0.049 0.000 1.447 264 H CB 1.109 30.845 29.762 -0.043 0.000 1.469 264 H HN 0.215 nan 8.280 nan 0.000 0.544 265 A N 3.284 126.163 122.820 0.098 0.000 1.968 265 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 265 A C 2.382 180.001 177.584 0.057 0.000 1.169 265 A CA 1.201 53.276 52.037 0.063 0.000 0.638 265 A CB -0.683 18.345 19.000 0.048 0.000 0.812 265 A HN 0.789 nan 8.150 nan 0.000 0.446 266 G N -0.619 108.217 108.800 0.061 0.000 2.776 266 G HA2 0.184 4.143 3.960 -0.000 0.000 0.209 266 G HA3 0.184 4.143 3.960 -0.000 0.000 0.209 266 G C 0.732 175.648 174.900 0.027 0.000 1.145 266 G CA 0.748 45.866 45.100 0.030 0.000 0.791 266 G HN 0.486 nan 8.290 nan 0.000 0.530 267 S N -0.136 115.598 115.700 0.057 0.000 2.586 267 S HA 0.353 4.823 4.470 -0.000 0.000 0.274 267 S C 1.572 176.191 174.600 0.031 0.000 1.281 267 S CA 0.187 58.417 58.200 0.049 0.000 1.035 267 S CB 1.215 64.474 63.200 0.099 0.000 0.962 267 S HN 0.311 nan 8.310 nan 0.000 0.512 268 S N 4.287 119.998 115.700 0.019 0.000 2.556 268 S HA 0.269 4.739 4.470 -0.000 0.000 0.216 268 S C 0.424 175.032 174.600 0.014 0.000 0.970 268 S CA -0.409 57.799 58.200 0.013 0.000 0.912 268 S CB -0.576 62.627 63.200 0.005 0.000 0.790 268 S HN 0.646 nan 8.310 nan 0.000 0.504 269 L N 2.105 123.340 121.223 0.020 0.000 2.540 269 L HA 0.177 4.517 4.340 -0.000 0.000 0.276 269 L C 0.335 177.216 176.870 0.018 0.000 1.212 269 L CA 0.413 55.264 54.840 0.018 0.000 0.893 269 L CB 0.295 42.368 42.059 0.023 0.000 1.138 269 L HN 0.156 nan 8.230 nan 0.000 0.491 270 K N 5.042 125.450 120.400 0.014 0.000 2.449 270 K HA 0.344 4.664 4.320 -0.000 0.000 0.257 270 K C 0.096 176.706 176.600 0.015 0.000 0.989 270 K CA -0.318 55.977 56.287 0.014 0.000 0.916 270 K CB 1.208 33.715 32.500 0.012 0.000 1.136 270 K HN 0.550 nan 8.250 nan 0.000 0.439 271 L N 2.071 123.305 121.223 0.018 0.000 2.700 271 L HA 0.068 4.408 4.340 -0.000 0.000 0.234 271 L C 0.346 177.225 176.870 0.016 0.000 1.156 271 L CA -0.011 54.841 54.840 0.020 0.000 0.946 271 L CB 0.017 42.091 42.059 0.025 0.000 1.216 271 L HN 0.543 nan 8.230 nan 0.000 0.493 272 D N 0.417 120.825 120.400 0.012 0.000 2.190 272 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 272 D C 2.305 178.607 176.300 0.003 0.000 0.992 272 D CA 1.744 55.747 54.000 0.006 0.000 0.854 272 D CB 0.004 40.808 40.800 0.006 0.000 0.936 272 D HN 0.347 nan 8.370 nan 0.000 0.462 273 S N -0.279 115.427 115.700 0.011 0.000 2.447 273 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 273 S C 0.897 175.505 174.600 0.013 0.000 1.006 273 S CA -0.178 58.032 58.200 0.017 0.000 0.957 273 S CB -0.301 62.917 63.200 0.029 0.000 0.773 273 S HN 0.189 nan 8.310 nan 0.000 0.507 274 L N 2.831 124.059 121.223 0.009 0.000 2.385 274 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 274 L C 0.999 177.841 176.870 -0.047 0.000 1.106 274 L CA -0.026 54.819 54.840 0.007 0.000 0.856 274 L CB 0.372 42.446 42.059 0.025 0.000 1.186 274 L HN -0.004 nan 8.230 nan 0.000 0.453 275 R N 3.289 123.716 120.500 -0.120 0.000 2.373 275 R HA 0.293 4.632 4.340 -0.000 0.000 0.221 275 R C -0.479 175.461 176.300 -0.599 0.000 0.893 275 R CA 0.139 56.024 56.100 -0.357 0.000 1.049 275 R CB 0.229 30.247 30.300 -0.470 0.000 1.119 275 R HN 0.645 nan 8.270 nan 0.000 0.535 276 H N -0.193 118.894 119.070 0.028 0.000 2.840 276 H HA 0.348 4.904 4.556 -0.000 0.000 0.340 276 H C -0.959 174.373 175.328 0.007 0.000 1.004 276 H CA -0.601 55.452 56.048 0.009 0.000 1.288 276 H CB 2.392 32.151 29.762 -0.004 0.000 1.607 276 H HN -0.284 nan 8.280 nan 0.000 0.522 277 V N 3.898 123.874 119.914 0.103 0.000 2.350 277 V HA 0.278 4.398 4.120 -0.000 0.000 0.285 277 V C 0.115 176.215 176.094 0.009 0.000 1.014 277 V CA -0.381 61.974 62.300 0.093 0.000 0.831 277 V CB 1.674 33.578 31.823 0.134 0.000 1.000 277 V HN 0.780 nan 8.190 nan 0.000 0.433 278 T N 5.944 120.395 114.554 -0.172 0.000 2.885 278 T HA 0.886 5.236 4.350 -0.000 0.000 0.285 278 T C -0.741 173.507 174.700 -0.753 0.000 1.019 278 T CA -0.347 61.360 62.100 -0.656 0.000 1.010 278 T CB 1.463 69.797 68.868 -0.890 0.000 1.022 278 T HN 0.559 nan 8.240 nan 0.000 0.466 279 F N -1.167 118.400 119.950 -0.638 0.000 2.719 279 F HA 0.764 5.291 4.527 -0.000 0.000 0.309 279 F C -0.878 174.907 175.800 -0.025 0.000 1.138 279 F CA -1.862 55.971 58.000 -0.278 0.000 0.943 279 F CB 0.815 39.751 39.000 -0.108 0.000 1.304 279 F HN 0.616 nan 8.300 nan 0.000 0.445 280 A N 0.870 123.916 122.820 0.376 0.000 2.506 280 A HA 0.594 4.914 4.320 -0.000 0.000 0.320 280 A C 0.662 178.438 177.584 0.319 0.000 1.424 280 A CA 0.100 52.317 52.037 0.299 0.000 1.044 280 A CB -0.593 18.561 19.000 0.256 0.000 1.140 280 A HN 1.424 nan 8.150 nan 0.000 0.538 281 G N 1.144 110.171 108.800 0.379 0.000 3.502 281 G HA2 0.338 4.298 3.960 -0.000 0.000 0.267 281 G HA3 0.338 4.298 3.960 -0.000 0.000 0.267 281 G C 1.099 176.123 174.900 0.207 0.000 1.090 281 G CA 0.778 46.083 45.100 0.342 0.000 0.795 281 G HN 0.943 nan 8.290 nan 0.000 0.535 282 A N 0.846 123.781 122.820 0.192 0.000 1.917 282 A HA 0.010 4.329 4.320 -0.000 0.000 0.219 282 A C 2.054 179.703 177.584 0.108 0.000 1.182 282 A CA 1.958 54.087 52.037 0.153 0.000 0.633 282 A CB -0.819 18.296 19.000 0.190 0.000 0.819 282 A HN 0.569 nan 8.150 nan 0.000 0.448 286 D N 0.217 120.639 120.400 0.036 0.000 2.149 286 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 286 D C 1.721 178.042 176.300 0.035 0.000 1.001 286 D CA 2.079 56.104 54.000 0.042 0.000 0.849 286 D CB -0.269 40.558 40.800 0.045 0.000 0.939 286 D HN 0.492 nan 8.370 nan 0.000 0.449 287 A N 0.292 123.131 122.820 0.031 0.000 1.902 287 A HA -0.134 4.185 4.320 -0.000 0.000 0.217 287 A C 2.519 180.110 177.584 0.012 0.000 1.181 287 A CA 1.255 53.309 52.037 0.027 0.000 0.623 287 A CB -0.677 18.341 19.000 0.030 0.000 0.818 287 A HN 0.165 nan 8.150 nan 0.000 0.443 288 V N -0.339 119.571 119.914 -0.007 0.000 2.358 288 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 288 V C 2.469 178.514 176.094 -0.082 0.000 1.047 288 V CA 1.837 64.112 62.300 -0.041 0.000 1.035 288 V CB -0.729 31.058 31.823 -0.059 0.000 0.658 288 V HN 0.573 nan 8.190 nan 0.000 0.452 289 L N 1.315 122.494 121.223 -0.073 0.000 2.046 289 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 289 L C 2.569 179.442 176.870 0.005 0.000 1.077 289 L CA 2.470 57.255 54.840 -0.092 0.000 0.747 289 L CB -0.816 41.246 42.059 0.004 0.000 0.896 289 L HN 0.650 nan 8.230 nan 0.000 0.432 290 E N -1.451 118.791 120.200 0.069 0.000 2.110 290 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 290 E C 1.893 178.516 176.600 0.039 0.000 0.988 290 E CA 1.762 58.219 56.400 0.095 0.000 0.804 290 E CB -1.137 28.596 29.700 0.055 0.000 0.745 290 E HN 0.618 nan 8.360 nan 0.000 0.458 291 T N -0.998 113.567 114.554 0.017 0.000 2.867 291 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 291 T C 2.037 176.750 174.700 0.023 0.000 1.057 291 T CA 1.019 63.146 62.100 0.046 0.000 1.136 291 T CB -0.562 68.375 68.868 0.115 0.000 0.874 291 T HN 0.079 nan 8.240 nan 0.000 0.466 292 V N 1.564 121.445 119.914 -0.056 0.000 2.307 292 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 292 V C 2.856 178.895 176.094 -0.091 0.000 1.045 292 V CA 1.814 64.045 62.300 -0.115 0.000 1.024 292 V CB -0.808 30.841 31.823 -0.290 0.000 0.651 292 V HN 0.593 nan 8.190 nan 0.000 0.449 293 H N -0.227 118.824 119.070 -0.031 0.000 2.387 293 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 293 H C 2.495 177.776 175.328 -0.078 0.000 1.099 293 H CA 1.636 57.668 56.048 -0.027 0.000 1.315 293 H CB -0.042 29.708 29.762 -0.019 0.000 1.380 293 H HN 0.454 nan 8.280 nan 0.000 0.513 294 Q N -0.229 119.543 119.800 -0.046 0.000 2.083 294 Q HA -0.084 4.256 4.340 -0.000 0.000 0.198 294 Q C 1.490 177.290 176.000 -0.332 0.000 0.969 294 Q CA 0.997 56.635 55.803 -0.275 0.000 0.838 294 Q CB 0.211 28.629 28.738 -0.535 0.000 0.900 294 Q HN 0.676 nan 8.270 nan 0.000 0.436 295 H N -1.594 117.481 119.070 0.008 0.000 2.874 295 H HA 0.323 4.879 4.556 -0.000 0.000 0.264 295 H C 0.201 175.525 175.328 -0.008 0.000 1.007 295 H CA 0.064 56.104 56.048 -0.012 0.000 1.207 295 H CB 1.090 30.830 29.762 -0.037 0.000 1.487 295 H HN 0.037 nan 8.280 nan 0.000 0.505 296 L N 3.041 124.317 121.223 0.087 0.000 2.346 296 L HA 0.371 4.711 4.340 -0.000 0.000 0.274 296 L C -2.159 174.738 176.870 0.046 0.000 1.007 296 L CA -1.871 53.005 54.840 0.060 0.000 0.818 296 L CB 2.480 44.566 42.059 0.045 0.000 1.284 296 L HN -0.061 nan 8.230 nan 0.000 0.424 297 P HA 0.463 nan 4.420 nan 0.000 0.297 297 P C -0.145 177.168 177.300 0.021 0.000 1.307 297 P CA -0.018 63.099 63.100 0.028 0.000 0.773 297 P CB 1.149 32.859 31.700 0.017 0.000 1.265 298 G N -0.936 107.863 108.800 -0.002 0.000 2.746 298 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.685 298 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.685 298 G C -0.801 174.101 174.900 0.002 0.000 1.350 298 G CA -0.533 44.545 45.100 -0.037 0.000 0.837 298 G HN 0.778 nan 8.290 nan 0.000 0.564 299 E N 0.399 120.586 120.200 -0.021 0.000 2.316 299 E HA 0.343 4.693 4.350 -0.000 0.000 0.275 299 E C 0.082 176.729 176.600 0.078 0.000 1.029 299 E CA -0.624 55.805 56.400 0.049 0.000 0.871 299 E CB 0.330 30.067 29.700 0.062 0.000 1.022 299 E HN 0.300 nan 8.360 nan 0.000 0.418 300 K N 3.275 123.741 120.400 0.110 0.000 2.258 300 K HA 0.320 4.640 4.320 -0.000 0.000 0.284 300 K C -0.798 175.787 176.600 -0.024 0.000 1.051 300 K CA -0.626 55.723 56.287 0.104 0.000 0.923 300 K CB 1.590 34.193 32.500 0.172 0.000 1.046 300 K HN 0.239 nan 8.250 nan 0.000 0.474 301 V N 2.807 122.554 119.914 -0.278 0.000 2.483 301 V HA 0.178 4.298 4.120 -0.000 0.000 0.297 301 V C -0.226 175.396 176.094 -0.787 0.000 1.027 301 V CA -1.117 60.992 62.300 -0.317 0.000 0.855 301 V CB 1.830 33.591 31.823 -0.104 0.000 0.995 301 V HN 0.647 nan 8.190 nan 0.000 0.424 302 N N 4.071 122.444 118.700 -0.544 0.000 2.472 302 N HA 0.586 5.326 4.740 -0.000 0.000 0.277 302 N C -0.755 174.697 175.510 -0.097 0.000 1.081 302 N CA -0.289 52.492 53.050 -0.447 0.000 0.973 302 N CB 1.148 39.585 38.487 -0.083 0.000 1.105 302 N HN 0.728 nan 8.380 nan 0.000 0.470 303 I N 0.271 120.829 120.570 -0.019 0.000 2.785 303 I HA 0.526 4.696 4.170 -0.000 0.000 0.302 303 I C -1.364 174.887 176.117 0.223 0.000 1.069 303 I CA -1.095 60.308 61.300 0.171 0.000 1.045 303 I CB 1.725 39.872 38.000 0.245 0.000 1.236 303 I HN 0.412 nan 8.210 nan 0.000 0.429 304 Y N 3.648 124.007 120.300 0.099 0.000 2.328 304 Y HA 0.864 5.414 4.550 -0.000 0.000 0.337 304 Y C -0.194 175.726 175.900 0.033 0.000 0.966 304 Y CA -0.400 57.743 58.100 0.072 0.000 1.136 304 Y CB 1.488 39.980 38.460 0.053 0.000 1.170 304 Y HN 0.977 nan 8.280 nan 0.000 0.470 305 G N 2.765 111.278 108.800 -0.478 0.000 2.690 305 G HA2 0.548 4.508 3.960 -0.000 0.000 0.293 305 G HA3 0.548 4.508 3.960 -0.000 0.000 0.293 305 G C -1.471 173.172 174.900 -0.428 0.000 1.399 305 G CA -0.788 44.087 45.100 -0.374 0.000 0.890 305 G HN 0.729 nan 8.290 nan 0.000 0.485 306 T N -2.337 112.019 114.554 -0.330 0.000 2.907 306 T HA 0.526 4.875 4.350 -0.000 0.000 0.292 306 T C 1.200 175.709 174.700 -0.318 0.000 1.043 306 T CA -0.075 61.852 62.100 -0.289 0.000 1.003 306 T CB 1.617 70.350 68.868 -0.225 0.000 1.084 306 T HN 0.282 nan 8.240 nan 0.000 0.483 307 T N 1.356 115.722 114.554 -0.313 0.000 2.699 307 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 307 T C 1.586 176.029 174.700 -0.429 0.000 1.036 307 T CA 2.125 64.025 62.100 -0.334 0.000 1.147 307 T CB -0.362 68.357 68.868 -0.248 0.000 0.862 307 T HN 0.781 nan 8.240 nan 0.000 0.446 308 E N 0.741 120.561 120.200 -0.633 0.000 2.107 308 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 308 E C 0.864 177.046 176.600 -0.697 0.000 0.982 308 E CA 0.852 56.616 56.400 -1.060 0.000 0.809 308 E CB 0.035 28.613 29.700 -1.869 0.000 0.756 308 E HN 0.549 nan 8.360 nan 0.000 0.459 312 S N 1.572 117.313 115.700 0.069 0.000 2.575 312 S HA 0.475 4.945 4.470 -0.000 0.000 0.230 312 S C -0.250 174.483 174.600 0.221 0.000 1.062 312 S CA 0.098 58.408 58.200 0.183 0.000 0.913 312 S CB 0.403 63.775 63.200 0.285 0.000 0.837 312 S HN 0.473 nan 8.310 nan 0.000 0.487 313 L N 0.979 122.369 121.223 0.277 0.000 2.469 313 L HA 0.669 5.009 4.340 -0.000 0.000 0.256 313 L C -1.045 176.043 176.870 0.363 0.000 1.006 313 L CA -1.230 53.769 54.840 0.265 0.000 0.832 313 L CB 1.882 43.998 42.059 0.095 0.000 1.421 313 L HN 0.299 nan 8.230 nan 0.000 0.410 317 Q N 0.403 120.260 119.800 0.094 0.000 2.443 317 Q HA -0.146 4.194 4.340 -0.000 0.000 0.337 317 Q C -2.270 173.831 176.000 0.167 0.000 1.401 317 Q CA 0.550 56.452 55.803 0.166 0.000 0.943 317 Q CB -1.200 27.589 28.738 0.085 0.000 1.177 317 Q HN 0.365 nan 8.270 nan 0.000 0.394 318 P HA -0.055 nan 4.420 nan 0.000 0.268 318 P C -0.067 177.380 177.300 0.246 0.000 1.205 318 P CA 0.261 63.474 63.100 0.188 0.000 0.771 318 P CB 0.953 32.779 31.700 0.210 0.000 0.858 319 K N 0.208 120.686 120.400 0.130 0.000 2.313 319 K HA 0.097 4.417 4.320 -0.000 0.000 0.197 319 K C 0.983 177.643 176.600 0.101 0.000 1.061 319 K CA 0.806 57.149 56.287 0.093 0.000 0.980 319 K CB 0.273 32.791 32.500 0.031 0.000 0.888 319 K HN 0.645 nan 8.250 nan 0.000 0.502 320 T N -3.880 110.731 114.554 0.094 0.000 2.887 320 T HA 0.404 4.754 4.350 -0.000 0.000 0.292 320 T C 0.902 175.665 174.700 0.106 0.000 1.087 320 T CA -0.736 61.415 62.100 0.085 0.000 1.009 320 T CB 1.889 70.789 68.868 0.053 0.000 1.203 320 T HN 0.027 nan 8.240 nan 0.000 0.518 321 G N -0.310 108.551 108.800 0.102 0.000 2.880 321 G HA2 0.144 4.104 3.960 -0.000 0.000 0.209 321 G HA3 0.144 4.104 3.960 -0.000 0.000 0.209 321 G C 1.122 176.082 174.900 0.100 0.000 1.157 321 G CA 0.734 45.913 45.100 0.130 0.000 0.779 321 G HN 0.997 nan 8.290 nan 0.000 0.539 322 T N -2.619 111.969 114.554 0.056 0.000 3.054 322 T HA 0.292 4.642 4.350 -0.000 0.000 0.255 322 T C 0.594 175.283 174.700 -0.017 0.000 1.035 322 T CA -0.172 61.939 62.100 0.019 0.000 0.941 322 T CB 0.694 69.560 68.868 -0.003 0.000 1.026 322 T HN 0.342 nan 8.240 nan 0.000 0.533 326 P HA 0.408 nan 4.420 nan 0.000 0.271 326 P C 0.411 177.912 177.300 0.335 0.000 1.216 326 P CA 0.635 63.888 63.100 0.255 0.000 0.776 326 P CB 1.252 33.080 31.700 0.213 0.000 0.881 327 G N 1.846 110.844 108.800 0.330 0.000 2.828 327 G HA2 0.408 4.367 3.960 -0.000 0.000 0.244 327 G HA3 0.408 4.367 3.960 -0.000 0.000 0.244 327 G C -1.022 173.973 174.900 0.159 0.000 1.365 327 G CA -0.829 44.429 45.100 0.263 0.000 1.041 327 G HN 0.399 nan 8.290 nan 0.000 0.560 328 F N -0.633 119.281 119.950 -0.061 0.000 2.595 328 F HA 0.327 4.854 4.527 -0.000 0.000 0.359 328 F C 1.007 176.714 175.800 -0.155 0.000 1.147 328 F CA 0.927 58.797 58.000 -0.217 0.000 1.341 328 F CB 0.122 38.862 39.000 -0.434 0.000 1.104 328 F HN 0.439 nan 8.300 nan 0.000 0.603 329 F N -0.037 119.602 119.950 -0.519 0.000 2.511 329 F HA -0.305 4.222 4.527 -0.000 0.000 0.625 329 F C 0.939 176.630 175.800 -0.182 0.000 0.499 329 F CA 0.773 58.598 58.000 -0.292 0.000 1.029 329 F CB -1.994 36.980 39.000 -0.042 0.000 1.823 329 F HN 0.353 nan 8.300 nan 0.000 0.261 330 S N 0.649 116.386 115.700 0.063 0.000 2.585 330 S HA 0.533 5.003 4.470 -0.000 0.000 0.277 330 S C -0.202 174.434 174.600 0.061 0.000 1.241 330 S CA -0.562 57.686 58.200 0.079 0.000 1.041 330 S CB 2.312 65.590 63.200 0.129 0.000 0.987 330 S HN 0.319 nan 8.310 nan 0.000 0.512 331 E N 1.367 121.615 120.200 0.081 0.000 2.263 331 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 331 E C -1.418 175.352 176.600 0.284 0.000 0.884 331 E CA -0.758 55.727 56.400 0.141 0.000 0.766 331 E CB 1.427 31.158 29.700 0.052 0.000 1.196 331 E HN 0.507 nan 8.360 nan 0.000 0.416 332 V N 1.210 121.338 119.914 0.356 0.000 2.962 332 V HA 0.791 4.911 4.120 -0.000 0.000 0.313 332 V C -0.865 175.455 176.094 0.378 0.000 1.099 332 V CA -0.825 61.705 62.300 0.382 0.000 0.971 332 V CB 2.032 33.981 31.823 0.211 0.000 1.028 332 V HN 0.739 nan 8.190 nan 0.000 0.430 333 R N 2.195 122.826 120.500 0.218 0.000 2.808 333 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 333 R C -1.493 174.817 176.300 0.017 0.000 0.995 333 R CA -0.837 55.325 56.100 0.104 0.000 0.917 333 R CB 2.629 32.786 30.300 -0.239 0.000 1.217 333 R HN 0.807 nan 8.270 nan 0.000 0.471 334 I N 2.954 123.573 120.570 0.082 0.000 2.382 334 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 334 I C -0.124 175.985 176.117 -0.013 0.000 1.002 334 I CA -0.898 60.383 61.300 -0.032 0.000 1.135 334 I CB 1.698 39.620 38.000 -0.129 0.000 1.288 334 I HN 0.301 nan 8.210 nan 0.000 0.448 335 V N 3.024 122.895 119.914 -0.070 0.000 2.919 335 V HA 0.571 4.691 4.120 -0.000 0.000 0.316 335 V C 0.229 176.293 176.094 -0.050 0.000 1.077 335 V CA -1.177 61.078 62.300 -0.075 0.000 0.977 335 V CB 1.721 33.462 31.823 -0.136 0.000 1.039 335 V HN 0.820 nan 8.190 nan 0.000 0.441 336 R N 1.598 122.074 120.500 -0.039 0.000 2.537 336 R HA 0.170 4.509 4.340 -0.000 0.000 0.281 336 R C -0.168 176.116 176.300 -0.028 0.000 0.988 336 R CA -0.030 56.055 56.100 -0.025 0.000 1.077 336 R CB -0.083 30.203 30.300 -0.023 0.000 0.932 336 R HN 0.778 nan 8.270 nan 0.000 0.409 337 I N 4.606 125.167 120.570 -0.016 0.000 2.742 337 I HA -0.090 4.080 4.170 -0.000 0.000 0.287 337 I C 1.474 177.584 176.117 -0.012 0.000 1.186 337 I CA 1.686 62.979 61.300 -0.012 0.000 1.417 337 I CB 0.649 38.651 38.000 0.003 0.000 1.377 337 I HN 1.066 nan 8.210 nan 0.000 0.556 338 G N 4.054 112.845 108.800 -0.015 0.000 2.159 338 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.256 338 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.256 338 G C 0.405 175.296 174.900 -0.016 0.000 0.977 338 G CA -0.032 45.061 45.100 -0.012 0.000 0.652 338 G HN 0.994 nan 8.290 nan 0.000 0.531 339 G N -0.666 108.119 108.800 -0.026 0.000 2.613 339 G HA2 0.779 4.738 3.960 -0.000 0.000 0.303 339 G HA3 0.779 4.738 3.960 -0.000 0.000 0.303 339 G C 0.688 175.563 174.900 -0.041 0.000 1.312 339 G CA 0.100 45.182 45.100 -0.030 0.000 1.036 339 G HN 1.156 nan 8.290 nan 0.000 0.513 340 G N -1.862 106.912 108.800 -0.043 0.000 2.572 340 G HA2 0.418 4.377 3.960 -0.000 0.000 0.261 340 G HA3 0.418 4.377 3.960 -0.000 0.000 0.261 340 G C 1.284 176.122 174.900 -0.103 0.000 1.197 340 G CA 0.328 45.397 45.100 -0.052 0.000 0.870 340 G HN 1.242 nan 8.290 nan 0.000 0.548 341 V N -2.034 117.800 119.914 -0.132 0.000 2.913 341 V HA -0.023 4.097 4.120 -0.000 0.000 0.260 341 V C 1.187 177.068 176.094 -0.354 0.000 1.098 341 V CA 1.952 64.069 62.300 -0.305 0.000 1.121 341 V CB -0.279 31.336 31.823 -0.346 0.000 0.714 341 V HN 0.489 nan 8.190 nan 0.000 0.487 342 D N 0.303 120.593 120.400 -0.182 0.000 2.349 342 D HA 0.083 4.723 4.640 -0.000 0.000 0.214 342 D C 0.801 177.039 176.300 -0.102 0.000 1.063 342 D CA 0.209 54.129 54.000 -0.134 0.000 0.847 342 D CB 0.156 40.922 40.800 -0.057 0.000 0.933 342 D HN 0.636 nan 8.370 nan 0.000 0.513 343 E N 1.646 121.786 120.200 -0.100 0.000 2.222 343 E HA 0.043 4.393 4.350 -0.000 0.000 0.312 343 E C 0.202 176.764 176.600 -0.064 0.000 1.263 343 E CA -0.249 56.110 56.400 -0.067 0.000 1.356 343 E CB 0.233 29.901 29.700 -0.054 0.000 1.180 343 E HN 0.077 nan 8.360 nan 0.000 0.494 344 I N 2.337 122.871 120.570 -0.059 0.000 2.775 344 I HA -0.077 4.092 4.170 -0.000 0.000 0.290 344 I C 1.093 177.211 176.117 0.001 0.000 1.203 344 I CA 0.153 61.437 61.300 -0.028 0.000 1.433 344 I CB -0.419 37.569 38.000 -0.021 0.000 1.354 344 I HN 0.037 nan 8.210 nan 0.000 0.579 345 V N 3.697 123.631 119.914 0.034 0.000 3.051 345 V HA 0.625 4.745 4.120 -0.000 0.000 0.306 345 V C 0.675 176.802 176.094 0.054 0.000 1.083 345 V CA -1.035 61.292 62.300 0.045 0.000 1.104 345 V CB 0.717 32.578 31.823 0.064 0.000 1.027 345 V HN 0.887 nan 8.190 nan 0.000 0.483 346 A N 2.505 125.349 122.820 0.040 0.000 2.388 346 A HA 0.576 4.895 4.320 -0.000 0.000 0.257 346 A C 0.834 178.458 177.584 0.066 0.000 1.095 346 A CA 0.221 52.278 52.037 0.033 0.000 0.791 346 A CB -0.911 18.099 19.000 0.018 0.000 1.029 346 A HN 1.970 nan 8.150 nan 0.000 0.489 347 N N 0.062 118.792 118.700 0.050 0.000 2.356 347 N HA 0.448 5.187 4.740 -0.000 0.000 0.252 347 N C 1.514 177.080 175.510 0.093 0.000 1.241 347 N CA 0.835 53.938 53.050 0.088 0.000 0.861 347 N CB 0.020 38.515 38.487 0.012 0.000 1.075 347 N HN 2.363 nan 8.380 nan 0.000 0.461 348 G N -0.764 108.116 108.800 0.132 0.000 2.241 348 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 348 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 348 G C -0.033 174.913 174.900 0.077 0.000 0.998 348 G CA 0.444 45.601 45.100 0.093 0.000 0.621 348 G HN 0.834 nan 8.290 nan 0.000 0.519 349 E N 1.454 121.701 120.200 0.079 0.000 2.266 349 E HA 0.428 4.778 4.350 -0.000 0.000 0.277 349 E C 0.260 176.892 176.600 0.054 0.000 1.018 349 E CA -0.402 56.034 56.400 0.059 0.000 0.840 349 E CB 1.008 30.736 29.700 0.046 0.000 1.082 349 E HN 0.622 nan 8.360 nan 0.000 0.395 350 E N 0.581 120.809 120.200 0.046 0.000 2.354 350 E HA 0.491 4.841 4.350 -0.000 0.000 0.269 350 E C 0.123 176.734 176.600 0.018 0.000 1.036 350 E CA -0.261 56.159 56.400 0.032 0.000 0.876 350 E CB 1.140 30.891 29.700 0.085 0.000 1.009 350 E HN 0.585 nan 8.360 nan 0.000 0.416 351 G N 1.553 110.343 108.800 -0.017 0.000 2.682 351 G HA2 0.172 4.132 3.960 -0.000 0.000 0.303 351 G HA3 0.172 4.132 3.960 -0.000 0.000 0.303 351 G C -1.378 173.491 174.900 -0.051 0.000 1.341 351 G CA -0.693 44.393 45.100 -0.023 0.000 0.784 351 G HN 0.485 nan 8.290 nan 0.000 0.497 352 E N -0.171 119.997 120.200 -0.053 0.000 2.289 352 E HA 0.335 4.685 4.350 -0.000 0.000 0.278 352 E C -0.628 175.914 176.600 -0.096 0.000 1.032 352 E CA -0.650 55.711 56.400 -0.066 0.000 0.854 352 E CB 1.191 30.858 29.700 -0.055 0.000 1.046 352 E HN 0.339 nan 8.360 nan 0.000 0.409 353 L N 7.046 128.202 121.223 -0.112 0.000 2.410 353 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 353 L C -0.520 176.318 176.870 -0.052 0.000 1.144 353 L CA 0.339 55.107 54.840 -0.121 0.000 0.863 353 L CB 0.274 42.226 42.059 -0.178 0.000 1.140 353 L HN 0.451 nan 8.230 nan 0.000 0.463 354 I N 4.178 124.739 120.570 -0.015 0.000 2.689 354 I HA 0.807 4.977 4.170 -0.000 0.000 0.299 354 I C -0.862 175.439 176.117 0.308 0.000 1.059 354 I CA -1.025 60.327 61.300 0.087 0.000 1.055 354 I CB 2.203 40.203 38.000 -0.001 0.000 1.243 354 I HN 0.472 nan 8.210 nan 0.000 0.425 355 V N 2.089 122.278 119.914 0.459 0.000 2.735 355 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 355 V C 0.341 176.665 176.094 0.383 0.000 1.061 355 V CA -0.572 62.004 62.300 0.460 0.000 0.913 355 V CB 1.218 33.236 31.823 0.324 0.000 1.005 355 V HN 1.163 nan 8.190 nan 0.000 0.428 356 A N 3.501 126.324 122.820 0.004 0.000 2.511 356 A HA 0.656 4.976 4.320 -0.000 0.000 0.242 356 A C 0.847 178.292 177.584 -0.231 0.000 1.069 356 A CA 0.292 51.977 52.037 -0.586 0.000 0.763 356 A CB 0.173 18.742 19.000 -0.719 0.000 1.001 356 A HN 2.321 nan 8.150 nan 0.000 0.498 357 A N 3.684 126.357 122.820 -0.244 0.000 2.807 357 A HA 0.523 4.843 4.320 -0.000 0.000 0.307 357 A C 0.968 178.461 177.584 -0.152 0.000 1.532 357 A CA 0.164 52.136 52.037 -0.107 0.000 1.215 357 A CB -0.953 18.021 19.000 -0.043 0.000 1.127 357 A HN 1.312 nan 8.150 nan 0.000 0.543 358 S N 0.862 116.481 115.700 -0.136 0.000 2.521 358 S HA 0.309 4.779 4.470 -0.000 0.000 0.278 358 S C 0.616 175.148 174.600 -0.114 0.000 1.140 358 S CA -0.146 57.980 58.200 -0.124 0.000 1.028 358 S CB 0.103 63.240 63.200 -0.105 0.000 1.203 358 S HN 0.415 nan 8.310 nan 0.000 0.491 359 D N 1.685 122.019 120.400 -0.109 0.000 2.190 359 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 359 D C 2.169 178.371 176.300 -0.162 0.000 0.992 359 D CA 1.819 55.747 54.000 -0.120 0.000 0.854 359 D CB -0.629 40.106 40.800 -0.109 0.000 0.936 359 D HN 0.604 nan 8.370 nan 0.000 0.462 360 S N -0.259 115.314 115.700 -0.212 0.000 2.481 360 S HA 0.123 4.593 4.470 -0.000 0.000 0.231 360 S C 1.036 175.513 174.600 -0.205 0.000 0.996 360 S CA 0.232 58.276 58.200 -0.260 0.000 0.942 360 S CB -0.058 62.952 63.200 -0.317 0.000 0.768 360 S HN 0.211 nan 8.310 nan 0.000 0.520 361 A N 1.953 124.692 122.820 -0.135 0.000 2.371 361 A HA 0.540 4.860 4.320 -0.000 0.000 0.257 361 A C 0.254 177.841 177.584 0.005 0.000 1.089 361 A CA -0.890 51.111 52.037 -0.060 0.000 0.794 361 A CB -0.314 18.670 19.000 -0.026 0.000 1.029 361 A HN 0.705 nan 8.150 nan 0.000 0.488 362 F N 1.288 121.090 119.950 -0.247 0.000 2.535 362 F HA 0.367 4.894 4.527 -0.000 0.000 0.332 362 F C 1.057 176.748 175.800 -0.182 0.000 1.208 362 F CA -0.275 57.601 58.000 -0.207 0.000 1.330 362 F CB 0.573 39.421 39.000 -0.254 0.000 1.167 362 F HN 0.350 nan 8.300 nan 0.000 0.597 363 V N -0.825 118.827 119.914 -0.436 0.000 3.621 363 V HA 0.705 4.825 4.120 -0.000 0.000 0.285 363 V C 0.499 176.193 176.094 -0.666 0.000 1.346 363 V CA 0.270 62.274 62.300 -0.493 0.000 1.104 363 V CB -0.766 30.919 31.823 -0.230 0.000 0.913 363 V HN 1.556 nan 8.190 nan 0.000 0.432 364 G N -0.768 107.411 108.800 -1.036 0.000 2.347 364 G HA2 0.225 4.185 3.960 -0.000 0.000 0.321 364 G HA3 0.225 4.185 3.960 -0.000 0.000 0.321 364 G C -1.597 173.147 174.900 -0.261 0.000 1.412 364 G CA -0.842 43.801 45.100 -0.760 0.000 0.990 364 G HN 0.140 nan 8.290 nan 0.000 0.637 365 Y N -0.263 120.111 120.300 0.125 0.000 2.313 365 Y HA 0.545 5.095 4.550 -0.000 0.000 0.332 365 Y C 0.920 176.844 175.900 0.040 0.000 1.071 365 Y CA -0.855 57.326 58.100 0.136 0.000 1.169 365 Y CB 1.587 40.137 38.460 0.150 0.000 1.192 365 Y HN 0.601 nan 8.280 nan 0.000 0.487 366 L N 4.698 126.021 121.223 0.166 0.000 2.534 366 L HA 0.051 4.390 4.340 -0.000 0.000 0.271 366 L C 0.408 177.327 176.870 0.082 0.000 1.178 366 L CA 0.462 55.349 54.840 0.079 0.000 0.907 366 L CB -0.793 41.287 42.059 0.035 0.000 1.164 366 L HN 0.878 nan 8.230 nan 0.000 0.482 367 N N 2.438 121.176 118.700 0.062 0.000 2.753 367 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 367 N C -0.648 174.901 175.510 0.065 0.000 1.097 367 N CA 1.076 54.158 53.050 0.053 0.000 0.786 367 N CB -0.747 37.765 38.487 0.042 0.000 1.137 367 N HN 0.791 nan 8.380 nan 0.000 0.566 368 Q N -1.066 118.793 119.800 0.099 0.000 2.965 368 Q HA 0.179 4.519 4.340 -0.000 0.000 0.288 368 Q C -2.071 174.010 176.000 0.135 0.000 0.974 368 Q CA -1.602 54.268 55.803 0.111 0.000 0.849 368 Q CB 1.350 30.157 28.738 0.114 0.000 1.280 368 Q HN 0.145 nan 8.270 nan 0.000 0.441 369 P HA -0.256 nan 4.420 nan 0.000 0.216 369 P C 1.469 178.821 177.300 0.087 0.000 1.150 369 P CA 1.263 64.406 63.100 0.072 0.000 0.837 369 P CB 0.308 32.034 31.700 0.043 0.000 0.786 370 Q N 0.381 120.231 119.800 0.084 0.000 2.046 370 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 370 Q C 2.043 178.115 176.000 0.120 0.000 0.975 370 Q CA 2.355 58.207 55.803 0.081 0.000 0.836 370 Q CB -1.687 27.085 28.738 0.057 0.000 0.896 370 Q HN 0.165 nan 8.270 nan 0.000 0.428 371 A N 1.180 124.094 122.820 0.156 0.000 1.933 371 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 371 A C 2.324 180.158 177.584 0.416 0.000 1.175 371 A CA 1.930 54.103 52.037 0.227 0.000 0.628 371 A CB -0.988 18.086 19.000 0.122 0.000 0.814 371 A HN 0.533 nan 8.150 nan 0.000 0.444 372 T N 0.417 115.209 114.554 0.397 0.000 2.708 372 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 372 T C 2.224 177.015 174.700 0.152 0.000 1.037 372 T CA 1.673 63.917 62.100 0.241 0.000 1.146 372 T CB -0.487 68.425 68.868 0.074 0.000 0.865 372 T HN 0.604 nan 8.240 nan 0.000 0.435 373 A N 1.388 124.278 122.820 0.117 0.000 2.024 373 A HA -0.147 4.172 4.320 -0.000 0.000 0.220 373 A C 2.157 179.802 177.584 0.102 0.000 1.164 373 A CA 1.546 53.634 52.037 0.085 0.000 0.643 373 A CB -0.478 18.560 19.000 0.063 0.000 0.806 373 A HN 0.598 nan 8.150 nan 0.000 0.451 374 E N -0.743 119.537 120.200 0.134 0.000 2.158 374 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 374 E C 1.635 178.318 176.600 0.138 0.000 0.982 374 E CA 0.763 57.236 56.400 0.121 0.000 0.823 374 E CB 0.023 29.794 29.700 0.119 0.000 0.766 374 E HN 0.357 nan 8.360 nan 0.000 0.468 375 K N 0.029 120.565 120.400 0.227 0.000 2.276 375 K HA 0.170 4.490 4.320 -0.000 0.000 0.198 375 K C 0.648 177.419 176.600 0.284 0.000 1.052 375 K CA 0.272 56.720 56.287 0.269 0.000 0.984 375 K CB 0.525 33.353 32.500 0.546 0.000 0.836 375 K HN 0.080 nan 8.250 nan 0.000 0.490 376 L N 2.823 124.186 121.223 0.233 0.000 2.295 376 L HA 0.254 4.594 4.340 -0.000 0.000 0.281 376 L C -0.854 176.087 176.870 0.118 0.000 1.018 376 L CA -0.245 54.700 54.840 0.176 0.000 0.841 376 L CB 1.173 43.243 42.059 0.020 0.000 1.218 376 L HN -0.024 nan 8.230 nan 0.000 0.424 377 Q N 3.331 123.224 119.800 0.155 0.000 2.292 377 Q HA 0.249 4.589 4.340 -0.000 0.000 0.270 377 Q C -0.939 175.180 176.000 0.199 0.000 1.024 377 Q CA -0.904 54.980 55.803 0.136 0.000 0.768 377 Q CB 2.325 31.128 28.738 0.108 0.000 1.250 377 Q HN 0.451 nan 8.270 nan 0.000 0.447 378 D N 1.789 122.277 120.400 0.147 0.000 2.708 378 D HA -0.213 4.427 4.640 -0.000 0.000 0.236 378 D C 0.741 177.170 176.300 0.215 0.000 1.146 378 D CA 1.756 55.859 54.000 0.172 0.000 0.662 378 D CB -0.946 39.971 40.800 0.194 0.000 1.059 378 D HN 1.167 nan 8.370 nan 0.000 0.428 379 G N -1.702 107.147 108.800 0.082 0.000 2.157 379 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 379 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 379 G C -0.147 174.582 174.900 -0.285 0.000 0.979 379 G CA 0.275 45.305 45.100 -0.116 0.000 0.650 379 G HN 0.292 nan 8.290 nan 0.000 0.529 380 W N -0.727 120.609 121.300 0.060 0.000 2.819 380 W HA 0.688 5.348 4.660 -0.000 0.000 0.337 380 W C -0.210 176.396 176.519 0.145 0.000 1.077 380 W CA -1.567 55.831 57.345 0.089 0.000 1.226 380 W CB 0.964 30.458 29.460 0.056 0.000 1.419 380 W HN 0.162 nan 8.180 nan 0.000 0.502 381 Y N 3.633 124.106 120.300 0.289 0.000 2.326 381 Y HA 0.488 5.038 4.550 -0.000 0.000 0.337 381 Y C 0.176 176.213 175.900 0.228 0.000 1.023 381 Y CA -1.259 56.984 58.100 0.238 0.000 1.143 381 Y CB 0.685 39.262 38.460 0.195 0.000 1.183 381 Y HN 0.337 nan 8.280 nan 0.000 0.485 382 R N 4.250 124.429 120.500 -0.535 0.000 2.202 382 R HA 0.144 4.484 4.340 -0.000 0.000 0.334 382 R C 1.130 176.946 176.300 -0.806 0.000 1.036 382 R CA 0.421 56.245 56.100 -0.461 0.000 0.878 382 R CB 0.707 30.887 30.300 -0.199 0.000 1.067 382 R HN 0.901 nan 8.270 nan 0.000 0.457 383 T N -1.307 112.992 114.554 -0.425 0.000 2.995 383 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 383 T C 0.991 175.656 174.700 -0.058 0.000 1.091 383 T CA 0.731 62.728 62.100 -0.172 0.000 1.128 383 T CB -0.055 68.894 68.868 0.136 0.000 0.891 383 T HN 0.599 nan 8.240 nan 0.000 0.492 384 S N 0.701 116.357 115.700 -0.073 0.000 3.382 384 S HA -0.122 4.348 4.470 -0.000 0.000 0.293 384 S C -0.488 174.127 174.600 0.024 0.000 1.262 384 S CA 0.896 59.088 58.200 -0.013 0.000 0.969 384 S CB -1.665 61.540 63.200 0.008 0.000 1.136 384 S HN 0.743 nan 8.310 nan 0.000 0.635 385 D N 0.720 121.139 120.400 0.032 0.000 2.163 385 D HA 0.545 5.184 4.640 -0.000 0.000 0.248 385 D C 0.201 176.487 176.300 -0.023 0.000 1.035 385 D CA -0.329 53.691 54.000 0.033 0.000 0.872 385 D CB 1.521 42.372 40.800 0.084 0.000 1.183 385 D HN 0.107 nan 8.370 nan 0.000 0.445 386 V N 1.024 120.919 119.914 -0.032 0.000 2.607 386 V HA 0.735 4.855 4.120 -0.000 0.000 0.289 386 V C 0.486 176.482 176.094 -0.165 0.000 1.053 386 V CA -0.304 61.957 62.300 -0.066 0.000 0.996 386 V CB 1.007 32.837 31.823 0.012 0.000 0.995 386 V HN 0.747 nan 8.190 nan 0.000 0.476 387 A N 3.747 126.459 122.820 -0.180 0.000 2.588 387 A HA 0.924 5.244 4.320 -0.000 0.000 0.290 387 A C -1.311 176.138 177.584 -0.226 0.000 1.136 387 A CA -0.609 51.279 52.037 -0.247 0.000 0.681 387 A CB 2.167 20.965 19.000 -0.335 0.000 1.282 387 A HN 1.102 nan 8.150 nan 0.000 0.421 388 V N -0.649 119.111 119.914 -0.255 0.000 2.932 388 V HA 0.615 4.734 4.120 -0.000 0.000 0.307 388 V C -1.973 173.995 176.094 -0.210 0.000 1.147 388 V CA -0.715 61.482 62.300 -0.172 0.000 0.951 388 V CB 1.840 33.633 31.823 -0.051 0.000 1.031 388 V HN 0.912 nan 8.190 nan 0.000 0.426 389 W N 4.485 125.768 121.300 -0.028 0.000 2.304 389 W HA 0.488 5.148 4.660 -0.000 0.000 0.313 389 W C 1.103 177.612 176.519 -0.017 0.000 1.323 389 W CA 0.044 57.375 57.345 -0.023 0.000 1.223 389 W CB 1.227 30.676 29.460 -0.019 0.000 1.237 389 W HN 0.772 nan 8.180 nan 0.000 0.535 390 T N 0.850 115.539 114.554 0.225 0.000 2.816 390 T HA 0.200 4.550 4.350 -0.000 0.000 0.282 390 T C -1.602 173.173 174.700 0.125 0.000 0.993 390 T CA -1.497 60.681 62.100 0.129 0.000 0.994 390 T CB 1.149 70.066 68.868 0.081 0.000 1.025 390 T HN 0.164 nan 8.240 nan 0.000 0.529 391 P HA -0.026 nan 4.420 nan 0.000 0.221 391 P C 0.748 178.075 177.300 0.045 0.000 1.145 391 P CA 0.901 64.033 63.100 0.053 0.000 0.795 391 P CB 0.003 31.725 31.700 0.037 0.000 0.775 392 E N -1.732 118.501 120.200 0.056 0.000 2.479 392 E HA 0.270 4.620 4.350 -0.000 0.000 0.193 392 E C 1.330 177.969 176.600 0.065 0.000 1.049 392 E CA 0.524 56.953 56.400 0.047 0.000 0.870 392 E CB -0.717 29.006 29.700 0.039 0.000 0.944 392 E HN 0.125 nan 8.360 nan 0.000 0.492 393 G N 1.196 110.060 108.800 0.106 0.000 2.147 393 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 393 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 393 G C 0.496 175.573 174.900 0.296 0.000 1.005 393 G CA 0.626 45.813 45.100 0.145 0.000 0.713 393 G HN 0.385 nan 8.290 nan 0.000 0.515 394 T N -2.873 111.836 114.554 0.259 0.000 2.923 394 T HA 0.728 5.078 4.350 -0.000 0.000 0.281 394 T C 0.110 174.883 174.700 0.122 0.000 0.995 394 T CA -0.485 61.735 62.100 0.200 0.000 0.985 394 T CB 2.636 71.545 68.868 0.068 0.000 1.114 394 T HN 0.744 nan 8.240 nan 0.000 0.548 395 V N 1.428 121.281 119.914 -0.103 0.000 2.383 395 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 395 V C 0.460 176.422 176.094 -0.220 0.000 1.036 395 V CA -0.802 61.289 62.300 -0.347 0.000 0.889 395 V CB 0.826 32.345 31.823 -0.507 0.000 0.985 395 V HN 0.858 nan 8.190 nan 0.000 0.459 396 R N 5.288 125.664 120.500 -0.206 0.000 2.215 396 R HA 0.429 4.769 4.340 -0.000 0.000 0.336 396 R C -0.572 175.608 176.300 -0.200 0.000 0.996 396 R CA -0.643 55.367 56.100 -0.151 0.000 0.847 396 R CB 0.524 30.768 30.300 -0.092 0.000 1.127 396 R HN 0.566 nan 8.270 nan 0.000 0.465 397 I N 7.226 127.684 120.570 -0.187 0.000 2.517 397 I HA -0.035 4.135 4.170 -0.000 0.000 0.285 397 I C 1.010 177.027 176.117 -0.167 0.000 1.106 397 I CA 0.339 61.524 61.300 -0.192 0.000 1.402 397 I CB 0.932 38.844 38.000 -0.146 0.000 1.399 397 I HN 0.836 nan 8.210 nan 0.000 0.535 398 L N 5.553 126.629 121.223 -0.245 0.000 2.556 398 L HA 0.374 4.713 4.340 -0.000 0.000 0.226 398 L C 1.014 177.688 176.870 -0.326 0.000 1.089 398 L CA 0.192 54.797 54.840 -0.392 0.000 0.864 398 L CB 0.079 41.680 42.059 -0.763 0.000 1.067 398 L HN 0.891 nan 8.230 nan 0.000 0.477 399 G N 0.114 108.819 108.800 -0.158 0.000 2.353 399 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.424 399 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.424 399 G C -1.163 173.764 174.900 0.044 0.000 1.320 399 G CA -1.060 44.036 45.100 -0.006 0.000 0.995 399 G HN -0.044 nan 8.290 nan 0.000 0.580 400 R N -0.270 120.280 120.500 0.083 0.000 2.543 400 R HA 0.388 4.728 4.340 -0.000 0.000 0.277 400 R C 1.641 177.997 176.300 0.094 0.000 1.074 400 R CA -0.153 55.994 56.100 0.079 0.000 1.076 400 R CB 1.311 31.653 30.300 0.070 0.000 0.993 400 R HN 0.329 nan 8.270 nan 0.000 0.459 401 V N 2.185 122.142 119.914 0.071 0.000 2.324 401 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 401 V C 1.334 177.462 176.094 0.058 0.000 1.060 401 V CA 1.976 64.316 62.300 0.067 0.000 1.042 401 V CB -0.340 31.506 31.823 0.038 0.000 0.650 401 V HN 0.733 nan 8.190 nan 0.000 0.450 402 D N -0.634 119.795 120.400 0.048 0.000 2.310 402 D HA -0.029 4.611 4.640 -0.000 0.000 0.212 402 D C 0.753 177.077 176.300 0.039 0.000 0.965 402 D CA 0.642 54.664 54.000 0.038 0.000 0.879 402 D CB -0.131 40.688 40.800 0.032 0.000 0.921 402 D HN 0.487 nan 8.370 nan 0.000 0.510 406 I N 4.374 124.939 120.570 -0.009 0.000 2.330 406 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 406 I C -0.047 176.081 176.117 0.019 0.000 1.025 406 I CA -0.185 61.115 61.300 -0.000 0.000 1.197 406 I CB 1.567 39.566 38.000 -0.000 0.000 1.358 406 I HN 0.460 nan 8.210 nan 0.000 0.467 407 S N 4.448 120.167 115.700 0.030 0.000 2.498 407 S HA 0.564 5.034 4.470 -0.000 0.000 0.317 407 S C 0.769 175.384 174.600 0.025 0.000 1.090 407 S CA 0.017 58.241 58.200 0.039 0.000 1.089 407 S CB 1.181 64.420 63.200 0.065 0.000 0.997 407 S HN 1.010 nan 8.310 nan 0.000 0.470 408 G N 3.192 112.002 108.800 0.016 0.000 2.379 408 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.297 408 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.297 408 G C 1.203 176.089 174.900 -0.022 0.000 1.004 408 G CA 0.651 45.752 45.100 0.000 0.000 0.921 408 G HN 2.188 nan 8.290 nan 0.000 0.511 409 G N -1.708 107.086 108.800 -0.010 0.000 2.168 409 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.263 409 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.263 409 G C 0.071 174.935 174.900 -0.060 0.000 0.977 409 G CA 0.955 46.040 45.100 -0.025 0.000 0.659 409 G HN 1.016 nan 8.290 nan 0.000 0.533 410 E N 0.463 120.615 120.200 -0.080 0.000 2.171 410 E HA 0.379 4.728 4.350 -0.000 0.000 0.271 410 E C -0.556 176.031 176.600 -0.022 0.000 0.916 410 E CA -1.011 55.313 56.400 -0.128 0.000 0.774 410 E CB 0.745 30.222 29.700 -0.371 0.000 1.128 410 E HN 0.173 nan 8.360 nan 0.000 0.403 411 N N 2.494 121.184 118.700 -0.016 0.000 2.452 411 N HA 0.204 4.944 4.740 -0.000 0.000 0.266 411 N C -0.821 174.671 175.510 -0.030 0.000 1.175 411 N CA 0.229 53.244 53.050 -0.059 0.000 0.945 411 N CB 0.338 38.780 38.487 -0.076 0.000 1.063 411 N HN 0.351 nan 8.380 nan 0.000 0.472 412 I N 2.383 122.877 120.570 -0.126 0.000 2.433 412 I HA 0.168 4.337 4.170 -0.000 0.000 0.292 412 I C -0.122 175.801 176.117 -0.323 0.000 1.001 412 I CA -0.674 60.557 61.300 -0.115 0.000 1.119 412 I CB 1.411 39.417 38.000 0.010 0.000 1.289 412 I HN 0.308 nan 8.210 nan 0.000 0.438 413 H N 7.006 126.101 119.070 0.042 0.000 2.597 413 H HA 0.222 4.778 4.556 -0.000 0.000 0.303 413 H C -1.786 173.552 175.328 0.016 0.000 1.057 413 H CA -1.853 54.212 56.048 0.028 0.000 1.261 413 H CB 1.288 31.065 29.762 0.025 0.000 1.397 413 H HN 0.383 nan 8.280 nan 0.000 0.461 414 P HA -0.211 nan 4.420 nan 0.000 0.216 414 P C 1.584 178.927 177.300 0.071 0.000 1.150 414 P CA 1.415 64.552 63.100 0.062 0.000 0.843 414 P CB 0.260 31.990 31.700 0.051 0.000 0.787 415 S N 0.254 116.008 115.700 0.089 0.000 2.370 415 S HA -0.245 4.224 4.470 -0.000 0.000 0.226 415 S C 2.163 176.801 174.600 0.063 0.000 1.033 415 S CA 1.447 59.690 58.200 0.071 0.000 1.011 415 S CB -1.333 61.907 63.200 0.066 0.000 0.852 415 S HN 0.252 nan 8.310 nan 0.000 0.457 416 E N 1.273 121.515 120.200 0.070 0.000 2.051 416 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 416 E C 2.027 178.653 176.600 0.043 0.000 0.991 416 E CA 1.570 58.001 56.400 0.051 0.000 0.799 416 E CB -0.303 29.428 29.700 0.052 0.000 0.748 416 E HN 0.712 nan 8.360 nan 0.000 0.449 417 I N 0.811 121.405 120.570 0.039 0.000 2.315 417 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 417 I C 2.247 178.403 176.117 0.064 0.000 1.117 417 I CA 1.138 62.461 61.300 0.038 0.000 1.404 417 I CB -0.297 37.711 38.000 0.013 0.000 1.071 417 I HN 0.124 nan 8.210 nan 0.000 0.419 418 E N 0.786 121.022 120.200 0.060 0.000 2.110 418 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 418 E C 2.356 178.998 176.600 0.069 0.000 0.988 418 E CA 0.973 57.412 56.400 0.065 0.000 0.804 418 E CB -0.051 29.683 29.700 0.056 0.000 0.745 418 E HN 0.417 nan 8.360 nan 0.000 0.458 419 R N 0.305 120.844 120.500 0.066 0.000 2.075 419 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 419 R C 2.443 178.798 176.300 0.093 0.000 1.126 419 R CA 1.097 57.237 56.100 0.067 0.000 0.963 419 R CB -0.340 29.994 30.300 0.056 0.000 0.858 419 R HN 0.068 nan 8.270 nan 0.000 0.435 420 V N 1.730 121.708 119.914 0.107 0.000 2.237 420 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 420 V C 2.374 178.625 176.094 0.261 0.000 1.046 420 V CA 1.747 64.149 62.300 0.170 0.000 1.007 420 V CB -0.489 31.410 31.823 0.128 0.000 0.638 420 V HN 0.284 nan 8.190 nan 0.000 0.445 421 L N 0.570 121.912 121.223 0.198 0.000 2.191 421 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 421 L C 2.571 179.471 176.870 0.050 0.000 1.103 421 L CA 1.450 56.387 54.840 0.161 0.000 0.769 421 L CB -1.048 41.107 42.059 0.161 0.000 0.908 421 L HN 0.517 nan 8.230 nan 0.000 0.438 422 G N -0.652 108.182 108.800 0.058 0.000 2.479 422 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 422 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 422 G C 1.505 176.396 174.900 -0.015 0.000 1.115 422 G CA 1.350 46.462 45.100 0.021 0.000 0.757 422 G HN 0.483 nan 8.290 nan 0.000 0.560 423 T N -2.573 111.978 114.554 -0.005 0.000 3.069 423 T HA 0.626 4.976 4.350 -0.000 0.000 0.252 423 T C 1.053 175.570 174.700 -0.306 0.000 1.053 423 T CA 0.418 62.500 62.100 -0.030 0.000 0.964 423 T CB 0.398 69.345 68.868 0.132 0.000 1.005 423 T HN 0.347 nan 8.240 nan 0.000 0.532 424 A N 2.835 125.274 122.820 -0.635 0.000 2.425 424 A HA 0.568 4.888 4.320 -0.000 0.000 0.249 424 A C -2.358 174.882 177.584 -0.573 0.000 1.084 424 A CA -1.445 49.841 52.037 -1.251 0.000 0.781 424 A CB -0.278 18.091 19.000 -1.050 0.000 1.019 424 A HN 0.259 nan 8.150 nan 0.000 0.490 425 P HA 0.222 nan 4.420 nan 0.000 0.262 425 P C 1.064 178.256 177.300 -0.180 0.000 1.182 425 P CA 1.940 64.905 63.100 -0.225 0.000 0.761 425 P CB 0.540 32.149 31.700 -0.152 0.000 0.795 426 G N 1.406 110.134 108.800 -0.120 0.000 2.225 426 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 426 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 426 G C 0.077 174.932 174.900 -0.076 0.000 0.988 426 G CA -0.113 44.935 45.100 -0.085 0.000 0.625 426 G HN 0.537 nan 8.290 nan 0.000 0.527 427 V N 1.277 121.132 119.914 -0.098 0.000 2.432 427 V HA 0.583 4.703 4.120 -0.000 0.000 0.271 427 V C 1.329 177.399 176.094 -0.040 0.000 1.046 427 V CA 1.032 63.292 62.300 -0.065 0.000 0.945 427 V CB 1.332 33.107 31.823 -0.080 0.000 0.992 427 V HN 0.357 nan 8.190 nan 0.000 0.471 428 T N 3.578 118.122 114.554 -0.016 0.000 3.023 428 T HA 0.243 4.593 4.350 -0.000 0.000 0.249 428 T C 0.465 175.170 174.700 0.008 0.000 1.050 428 T CA 0.534 62.631 62.100 -0.004 0.000 1.088 428 T CB 0.142 69.010 68.868 -0.000 0.000 0.946 428 T HN 0.737 nan 8.240 nan 0.000 0.480 429 E N -0.034 120.176 120.200 0.015 0.000 2.366 429 E HA 0.587 4.936 4.350 -0.000 0.000 0.278 429 E C -2.107 174.516 176.600 0.039 0.000 0.923 429 E CA -0.676 55.739 56.400 0.026 0.000 0.761 429 E CB 3.097 32.813 29.700 0.027 0.000 1.231 429 E HN 0.048 nan 8.360 nan 0.000 0.443 430 V N 2.725 122.666 119.914 0.045 0.000 2.891 430 V HA 0.549 4.669 4.120 -0.000 0.000 0.304 430 V C -1.871 174.257 176.094 0.055 0.000 1.171 430 V CA -0.426 61.911 62.300 0.062 0.000 0.943 430 V CB 1.988 33.855 31.823 0.073 0.000 1.037 430 V HN 0.425 nan 8.190 nan 0.000 0.427 431 V N 6.549 126.498 119.914 0.058 0.000 2.577 431 V HA 0.564 4.684 4.120 -0.000 0.000 0.303 431 V C -0.457 175.665 176.094 0.046 0.000 1.042 431 V CA -0.621 61.707 62.300 0.047 0.000 0.872 431 V CB 2.063 33.907 31.823 0.036 0.000 0.998 431 V HN 0.705 nan 8.190 nan 0.000 0.423 432 V N 6.540 126.477 119.914 0.037 0.000 2.398 432 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 432 V C -0.104 176.002 176.094 0.021 0.000 1.026 432 V CA -0.307 62.007 62.300 0.023 0.000 0.868 432 V CB 1.398 33.230 31.823 0.016 0.000 0.982 432 V HN 0.803 nan 8.190 nan 0.000 0.443 433 I N 1.699 122.280 120.570 0.019 0.000 3.042 433 I HA 0.983 5.153 4.170 -0.000 0.000 0.310 433 I C 0.223 176.350 176.117 0.017 0.000 1.117 433 I CA -0.933 60.378 61.300 0.018 0.000 1.003 433 I CB 2.427 40.436 38.000 0.016 0.000 1.228 433 I HN 0.592 nan 8.210 nan 0.000 0.443 434 G N 3.724 112.533 108.800 0.016 0.000 2.343 434 G HA2 0.667 4.626 3.960 -0.000 0.000 0.319 434 G HA3 0.667 4.626 3.960 -0.000 0.000 0.319 434 G C -0.971 173.944 174.900 0.024 0.000 1.126 434 G CA -0.664 44.447 45.100 0.017 0.000 0.889 434 G HN 0.557 nan 8.290 nan 0.000 0.457 435 L N 1.477 122.720 121.223 0.033 0.000 2.342 435 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 435 L C 0.835 177.722 176.870 0.029 0.000 1.008 435 L CA -1.187 53.676 54.840 0.038 0.000 0.818 435 L CB 2.106 44.208 42.059 0.072 0.000 1.296 435 L HN 0.617 nan 8.230 nan 0.000 0.427 436 A N 1.422 124.257 122.820 0.026 0.000 2.520 436 A HA 0.270 4.589 4.320 -0.000 0.000 0.245 436 A C -0.320 177.265 177.584 0.001 0.000 1.072 436 A CA -0.255 51.794 52.037 0.019 0.000 0.761 436 A CB -0.252 18.763 19.000 0.025 0.000 1.004 436 A HN 0.773 nan 8.150 nan 0.000 0.499 437 D N 1.470 121.859 120.400 -0.018 0.000 2.539 437 D HA 0.280 4.920 4.640 -0.000 0.000 0.280 437 D C 0.342 176.575 176.300 -0.111 0.000 1.208 437 D CA -0.314 53.655 54.000 -0.052 0.000 1.088 437 D CB 0.254 41.024 40.800 -0.050 0.000 1.149 437 D HN 0.301 nan 8.370 nan 0.000 0.596 438 Q N -1.162 118.542 119.800 -0.160 0.000 2.246 438 Q HA 0.148 4.488 4.340 -0.000 0.000 0.202 438 Q C 0.031 175.744 176.000 -0.477 0.000 0.883 438 Q CA 0.097 55.745 55.803 -0.259 0.000 0.952 438 Q CB 0.109 28.732 28.738 -0.191 0.000 1.078 438 Q HN 0.624 nan 8.270 nan 0.000 0.493 439 R N -1.542 118.691 120.500 -0.445 0.000 2.698 439 R HA 0.172 4.512 4.340 -0.000 0.000 0.422 439 R C -0.713 175.428 176.300 -0.265 0.000 1.073 439 R CA -0.526 55.217 56.100 -0.595 0.000 1.054 439 R CB -0.215 29.915 30.300 -0.283 0.000 1.373 439 R HN -0.049 nan 8.270 nan 0.000 0.593 440 W N -0.292 121.009 121.300 0.001 0.000 3.834 440 W HA -0.224 4.435 4.660 -0.000 0.000 0.320 440 W C 0.037 176.555 176.519 -0.001 0.000 1.201 440 W CA 0.878 58.223 57.345 0.000 0.000 0.701 440 W CB -1.969 27.490 29.460 -0.002 0.000 2.264 440 W HN 0.547 nan 8.180 nan 0.000 1.413 441 G N -0.447 108.422 108.800 0.114 0.000 3.257 441 G HA2 0.707 4.667 3.960 -0.000 0.000 0.205 441 G HA3 0.707 4.667 3.960 -0.000 0.000 0.205 441 G C -0.613 174.312 174.900 0.042 0.000 1.234 441 G CA -0.613 44.533 45.100 0.077 0.000 0.918 441 G HN -0.013 nan 8.290 nan 0.000 0.602 442 Q N -0.854 118.964 119.800 0.029 0.000 2.413 442 Q HA 0.581 4.921 4.340 -0.000 0.000 0.276 442 Q C -1.156 174.853 176.000 0.014 0.000 1.099 442 Q CA -0.643 55.173 55.803 0.021 0.000 0.814 442 Q CB 2.449 31.200 28.738 0.022 0.000 1.379 442 Q HN 0.461 nan 8.270 nan 0.000 0.436 443 S N 0.793 116.499 115.700 0.010 0.000 2.451 443 S HA 0.417 4.886 4.470 -0.000 0.000 0.301 443 S C -0.499 174.099 174.600 -0.003 0.000 1.116 443 S CA -0.591 57.610 58.200 0.002 0.000 1.093 443 S CB 0.918 64.115 63.200 -0.006 0.000 1.017 443 S HN 0.391 nan 8.310 nan 0.000 0.482 444 V N 5.516 125.421 119.914 -0.016 0.000 2.485 444 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 444 V C 0.435 176.480 176.094 -0.081 0.000 1.022 444 V CA 0.342 62.620 62.300 -0.038 0.000 1.067 444 V CB 0.606 32.402 31.823 -0.045 0.000 0.967 444 V HN 0.956 nan 8.190 nan 0.000 0.479 445 T N 4.538 119.053 114.554 -0.065 0.000 2.881 445 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 445 T C -0.247 174.410 174.700 -0.072 0.000 1.000 445 T CA -0.304 61.752 62.100 -0.073 0.000 0.978 445 T CB 1.684 70.602 68.868 0.082 0.000 0.997 445 T HN 0.870 nan 8.240 nan 0.000 0.443 446 A N 1.884 124.588 122.820 -0.195 0.000 2.287 446 A HA 0.629 4.949 4.320 -0.000 0.000 0.317 446 A C -0.124 177.523 177.584 0.106 0.000 1.220 446 A CA -0.612 51.372 52.037 -0.089 0.000 0.835 446 A CB 0.257 19.134 19.000 -0.206 0.000 1.180 446 A HN 0.963 nan 8.150 nan 0.000 0.500 447 C N 3.188 122.577 119.300 0.149 0.000 2.255 447 C HA 0.653 5.113 4.460 -0.000 0.000 0.326 447 C C 0.439 175.519 174.990 0.149 0.000 1.258 447 C CA -0.597 58.535 59.018 0.190 0.000 1.676 447 C CB -0.430 27.383 27.740 0.120 0.000 2.314 447 C HN 0.787 nan 8.230 nan 0.000 0.509 448 V N 2.309 122.323 119.914 0.166 0.000 2.823 448 V HA 0.899 5.018 4.120 -0.000 0.000 0.312 448 V C -0.696 175.448 176.094 0.084 0.000 1.072 448 V CA -0.518 61.855 62.300 0.122 0.000 0.937 448 V CB 1.596 33.503 31.823 0.140 0.000 1.013 448 V HN 0.490 nan 8.190 nan 0.000 0.430 449 V N 4.823 124.768 119.914 0.053 0.000 2.495 449 V HA 0.559 4.678 4.120 -0.000 0.000 0.298 449 V C -2.272 173.832 176.094 0.017 0.000 1.031 449 V CA -1.699 60.622 62.300 0.036 0.000 0.871 449 V CB 1.983 33.825 31.823 0.030 0.000 0.988 449 V HN 0.920 nan 8.190 nan 0.000 0.432 450 P HA 0.287 nan 4.420 nan 0.000 0.278 450 P C -0.312 176.984 177.300 -0.006 0.000 1.238 450 P CA -0.586 62.510 63.100 -0.006 0.000 0.794 450 P CB 0.939 32.635 31.700 -0.007 0.000 0.955 451 R N 1.100 121.592 120.500 -0.015 0.000 2.756 451 R HA 0.053 4.393 4.340 -0.000 0.000 0.264 451 R C 0.381 176.676 176.300 -0.008 0.000 1.026 451 R CA -0.556 55.537 56.100 -0.011 0.000 1.121 451 R CB -0.110 30.179 30.300 -0.019 0.000 0.999 451 R HN 0.454 nan 8.270 nan 0.000 0.449 452 L N 2.535 123.756 121.223 -0.003 0.000 2.628 452 L HA -0.012 4.328 4.340 -0.000 0.000 0.274 452 L C 1.162 178.030 176.870 -0.004 0.000 1.209 452 L CA 2.032 56.871 54.840 -0.001 0.000 0.930 452 L CB 0.277 42.337 42.059 0.001 0.000 1.183 452 L HN 0.937 nan 8.230 nan 0.000 0.492 453 G N 2.392 111.190 108.800 -0.003 0.000 2.205 453 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.261 453 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.261 453 G C 0.313 175.208 174.900 -0.008 0.000 0.980 453 G CA 0.270 45.367 45.100 -0.005 0.000 0.632 453 G HN 0.629 nan 8.290 nan 0.000 0.533 454 E N 0.726 120.919 120.200 -0.012 0.000 2.319 454 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 454 E C -0.292 176.297 176.600 -0.019 0.000 1.050 454 E CA 0.020 56.409 56.400 -0.018 0.000 0.878 454 E CB 1.152 30.836 29.700 -0.025 0.000 1.066 454 E HN 0.160 nan 8.360 nan 0.000 0.406 455 T N 2.420 116.959 114.554 -0.024 0.000 2.770 455 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 455 T C 0.273 174.950 174.700 -0.039 0.000 0.988 455 T CA -0.544 61.541 62.100 -0.025 0.000 0.957 455 T CB 0.471 69.327 68.868 -0.021 0.000 0.930 455 T HN 0.141 nan 8.240 nan 0.000 0.443 456 L N 2.899 124.098 121.223 -0.041 0.000 2.360 456 L HA 0.757 5.096 4.340 -0.000 0.000 0.271 456 L C 0.490 177.317 176.870 -0.071 0.000 1.057 456 L CA -0.699 54.102 54.840 -0.065 0.000 0.803 456 L CB 1.622 43.644 42.059 -0.061 0.000 1.207 456 L HN 0.739 nan 8.230 nan 0.000 0.445 457 S N 0.334 115.969 115.700 -0.108 0.000 2.546 457 S HA 0.572 5.042 4.470 -0.000 0.000 0.274 457 S C 0.369 174.845 174.600 -0.206 0.000 1.121 457 S CA -0.164 57.968 58.200 -0.114 0.000 0.887 457 S CB 1.850 65.003 63.200 -0.079 0.000 1.094 457 S HN 0.701 nan 8.310 nan 0.000 0.474 458 A N 1.642 124.345 122.820 -0.195 0.000 1.917 458 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 458 A C 1.754 179.181 177.584 -0.262 0.000 1.182 458 A CA 2.405 54.263 52.037 -0.299 0.000 0.633 458 A CB -1.376 17.590 19.000 -0.057 0.000 0.819 458 A HN 0.987 nan 8.150 nan 0.000 0.448 459 D N -0.246 120.075 120.400 -0.131 0.000 2.104 459 D HA -0.060 4.580 4.640 -0.000 0.000 0.194 459 D C 2.021 178.270 176.300 -0.085 0.000 0.994 459 D CA 1.864 55.816 54.000 -0.079 0.000 0.830 459 D CB -0.276 40.495 40.800 -0.047 0.000 0.959 459 D HN 0.338 nan 8.370 nan 0.000 0.452 460 A N -0.068 122.690 122.820 -0.103 0.000 1.930 460 A HA -0.030 4.289 4.320 -0.000 0.000 0.217 460 A C 2.496 180.032 177.584 -0.080 0.000 1.175 460 A CA 0.958 52.952 52.037 -0.072 0.000 0.627 460 A CB -0.733 18.224 19.000 -0.072 0.000 0.815 460 A HN 0.365 nan 8.150 nan 0.000 0.443 461 L N -0.679 120.408 121.223 -0.226 0.000 2.056 461 L HA -0.180 4.159 4.340 -0.000 0.000 0.207 461 L C 2.387 179.197 176.870 -0.100 0.000 1.078 461 L CA 1.741 56.417 54.840 -0.274 0.000 0.749 461 L CB -0.515 41.088 42.059 -0.760 0.000 0.901 461 L HN 0.447 nan 8.230 nan 0.000 0.433 462 D N -0.553 119.766 120.400 -0.135 0.000 2.117 462 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 462 D C 2.003 178.342 176.300 0.065 0.000 0.982 462 D CA 1.561 55.602 54.000 0.068 0.000 0.828 462 D CB 0.159 41.010 40.800 0.086 0.000 0.967 462 D HN 0.094 nan 8.370 nan 0.000 0.464 463 T N -0.414 114.162 114.554 0.037 0.000 2.720 463 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 463 T C 1.599 176.343 174.700 0.074 0.000 1.037 463 T CA 1.166 63.292 62.100 0.044 0.000 1.144 463 T CB -0.627 68.261 68.868 0.034 0.000 0.864 463 T HN 0.219 nan 8.240 nan 0.000 0.444 464 F N 1.249 121.182 119.950 -0.028 0.000 2.095 464 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 464 F C 2.522 178.325 175.800 0.005 0.000 1.104 464 F CA 0.766 58.758 58.000 -0.014 0.000 1.232 464 F CB -0.684 38.303 39.000 -0.021 0.000 0.987 464 F HN 0.166 nan 8.300 nan 0.000 0.475 465 C N 0.503 119.869 119.300 0.109 0.000 2.425 465 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 465 C C 2.793 177.743 174.990 -0.067 0.000 1.280 465 C CA 0.995 60.028 59.018 0.024 0.000 1.744 465 C CB -1.306 26.516 27.740 0.137 0.000 1.989 465 C HN 0.416 nan 8.230 nan 0.000 0.491 466 R N 0.398 120.874 120.500 -0.039 0.000 2.148 466 R HA -0.082 4.257 4.340 -0.000 0.000 0.227 466 R C 2.063 178.308 176.300 -0.091 0.000 1.103 466 R CA 1.224 57.296 56.100 -0.047 0.000 0.983 466 R CB -0.223 30.066 30.300 -0.018 0.000 0.874 466 R HN 0.438 nan 8.270 nan 0.000 0.451 467 S N 0.176 115.782 115.700 -0.155 0.000 2.558 467 S HA 0.001 4.470 4.470 -0.000 0.000 0.217 467 S C 0.771 175.230 174.600 -0.236 0.000 0.975 467 S CA 0.106 58.195 58.200 -0.185 0.000 0.912 467 S CB 0.265 63.338 63.200 -0.212 0.000 0.776 467 S HN 0.373 nan 8.310 nan 0.000 0.526 468 S N 0.996 116.535 115.700 -0.269 0.000 2.686 468 S HA 0.326 4.796 4.470 -0.000 0.000 0.270 468 S C 0.619 175.140 174.600 -0.132 0.000 1.194 468 S CA -0.577 57.479 58.200 -0.241 0.000 0.990 468 S CB 0.550 63.593 63.200 -0.262 0.000 1.029 468 S HN 0.016 nan 8.310 nan 0.000 0.560 469 E N 0.066 120.207 120.200 -0.099 0.000 2.502 469 E HA 0.226 4.576 4.350 -0.000 0.000 0.194 469 E C 0.047 176.608 176.600 -0.064 0.000 1.062 469 E CA -0.047 56.314 56.400 -0.065 0.000 0.867 469 E CB -0.436 29.238 29.700 -0.044 0.000 0.888 469 E HN 0.537 nan 8.360 nan 0.000 0.510 470 L N 1.519 122.693 121.223 -0.081 0.000 2.540 470 L HA -0.006 4.334 4.340 -0.000 0.000 0.276 470 L C 0.771 177.570 176.870 -0.119 0.000 1.212 470 L CA -0.318 54.459 54.840 -0.105 0.000 0.893 470 L CB 0.254 42.253 42.059 -0.101 0.000 1.138 470 L HN -0.026 nan 8.230 nan 0.000 0.491 471 A N 2.961 125.677 122.820 -0.173 0.000 2.466 471 A HA 0.005 4.325 4.320 -0.000 0.000 0.238 471 A C 1.004 178.483 177.584 -0.175 0.000 1.074 471 A CA -0.368 51.579 52.037 -0.151 0.000 0.774 471 A CB 0.159 19.049 19.000 -0.183 0.000 1.015 471 A HN 0.854 nan 8.150 nan 0.000 0.498 472 D N 0.867 121.254 120.400 -0.022 0.000 2.133 472 D HA -0.236 4.404 4.640 -0.000 0.000 0.192 472 D C 1.440 177.747 176.300 0.011 0.000 1.001 472 D CA 2.439 56.448 54.000 0.015 0.000 0.844 472 D CB -0.496 40.351 40.800 0.079 0.000 0.944 472 D HN 0.777 nan 8.370 nan 0.000 0.447 473 F N 0.516 120.467 119.950 0.001 0.000 2.546 473 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 473 F C 1.628 177.425 175.800 -0.005 0.000 1.120 473 F CA 0.617 58.616 58.000 -0.003 0.000 1.456 473 F CB -0.244 38.754 39.000 -0.004 0.000 1.088 473 F HN -0.177 nan 8.300 nan 0.000 0.572 474 K N 0.427 120.490 120.400 -0.560 0.000 2.356 474 K HA 0.148 4.468 4.320 -0.000 0.000 0.195 474 K C 0.471 176.962 176.600 -0.181 0.000 1.037 474 K CA -0.129 55.897 56.287 -0.436 0.000 1.014 474 K CB 0.110 32.278 32.500 -0.553 0.000 0.815 474 K HN 0.190 nan 8.250 nan 0.000 0.507 475 R N 2.224 122.652 120.500 -0.120 0.000 2.537 475 R HA 0.089 4.429 4.340 -0.000 0.000 0.280 475 R C -2.502 173.767 176.300 -0.051 0.000 1.058 475 R CA -1.726 54.345 56.100 -0.048 0.000 1.057 475 R CB -0.135 30.160 30.300 -0.008 0.000 0.973 475 R HN -0.096 nan 8.270 nan 0.000 0.438 476 P HA -0.057 nan 4.420 nan 0.000 0.264 476 P C 0.009 177.213 177.300 -0.160 0.000 1.183 476 P CA 0.196 63.168 63.100 -0.213 0.000 0.763 476 P CB 0.586 31.965 31.700 -0.534 0.000 0.807 477 K N 2.091 122.406 120.400 -0.141 0.000 2.418 477 K HA 0.053 4.373 4.320 -0.000 0.000 0.195 477 K C 0.830 177.364 176.600 -0.111 0.000 1.035 477 K CA 0.665 56.903 56.287 -0.082 0.000 1.003 477 K CB 0.437 32.906 32.500 -0.053 0.000 0.793 477 K HN 0.445 nan 8.250 nan 0.000 0.494 478 R N -0.408 119.944 120.500 -0.247 0.000 2.629 478 R HA 0.251 4.591 4.340 -0.000 0.000 0.266 478 R C -1.851 174.162 176.300 -0.479 0.000 1.051 478 R CA -0.543 55.401 56.100 -0.260 0.000 0.895 478 R CB 1.202 31.351 30.300 -0.252 0.000 1.246 478 R HN -0.180 nan 8.270 nan 0.000 0.459 479 Y N 2.315 122.473 120.300 -0.237 0.000 2.409 479 Y HA 0.497 5.047 4.550 -0.000 0.000 0.343 479 Y C -0.760 174.926 175.900 -0.356 0.000 0.973 479 Y CA -0.603 57.390 58.100 -0.179 0.000 1.064 479 Y CB 1.772 40.185 38.460 -0.079 0.000 1.207 479 Y HN 0.366 nan 8.280 nan 0.000 0.452 480 F N 4.056 124.085 119.950 0.132 0.000 2.402 480 F HA 0.450 4.976 4.527 -0.000 0.000 0.355 480 F C -0.486 175.369 175.800 0.091 0.000 1.123 480 F CA -0.846 57.205 58.000 0.086 0.000 1.021 480 F CB 0.934 39.960 39.000 0.044 0.000 1.160 480 F HN 0.189 nan 8.300 nan 0.000 0.451 481 I N 5.877 126.578 120.570 0.219 0.000 2.304 481 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 481 I C -0.267 175.926 176.117 0.126 0.000 1.018 481 I CA -0.315 61.069 61.300 0.139 0.000 1.260 481 I CB 0.568 38.612 38.000 0.074 0.000 1.390 481 I HN 0.492 nan 8.210 nan 0.000 0.475 482 L N 5.311 126.595 121.223 0.103 0.000 2.341 482 L HA 0.419 4.759 4.340 -0.000 0.000 0.267 482 L C 1.224 178.123 176.870 0.048 0.000 1.009 482 L CA -0.745 54.140 54.840 0.074 0.000 0.819 482 L CB 2.141 44.238 42.059 0.064 0.000 1.323 482 L HN 0.504 nan 8.230 nan 0.000 0.425 483 D N 0.352 120.774 120.400 0.035 0.000 2.277 483 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 483 D C 0.132 176.445 176.300 0.022 0.000 0.962 483 D CA 0.683 54.698 54.000 0.025 0.000 0.865 483 D CB 0.588 41.400 40.800 0.020 0.000 0.939 483 D HN 0.658 nan 8.370 nan 0.000 0.510 484 Q N -0.648 119.165 119.800 0.022 0.000 2.578 484 Q HA 0.434 4.774 4.340 -0.000 0.000 0.284 484 Q C -1.650 174.360 176.000 0.016 0.000 0.960 484 Q CA -0.957 54.857 55.803 0.018 0.000 0.809 484 Q CB 1.010 29.756 28.738 0.014 0.000 1.462 484 Q HN 0.059 nan 8.270 nan 0.000 0.392 485 L N 1.732 122.964 121.223 0.015 0.000 2.322 485 L HA 0.612 4.951 4.340 -0.000 0.000 0.279 485 L C -2.112 174.761 176.870 0.005 0.000 1.036 485 L CA -2.178 52.669 54.840 0.010 0.000 0.807 485 L CB 1.427 43.495 42.059 0.016 0.000 1.226 485 L HN 0.542 nan 8.230 nan 0.000 0.433 486 P HA 0.239 nan 4.420 nan 0.000 0.276 486 P C -1.285 176.016 177.300 0.002 0.000 1.235 486 P CA -0.241 62.857 63.100 -0.003 0.000 0.772 486 P CB 0.925 32.618 31.700 -0.012 0.000 0.871 487 K N 2.177 122.579 120.400 0.005 0.000 2.469 487 K HA 0.283 4.603 4.320 -0.000 0.000 0.254 487 K C 0.348 176.952 176.600 0.007 0.000 0.939 487 K CA -0.846 55.446 56.287 0.008 0.000 0.812 487 K CB 1.617 34.125 32.500 0.013 0.000 1.301 487 K HN 0.430 nan 8.250 nan 0.000 0.433 488 N N 0.327 119.032 118.700 0.008 0.000 2.328 488 N HA 0.087 4.827 4.740 -0.000 0.000 0.277 488 N C 0.671 176.186 175.510 0.009 0.000 1.286 488 N CA -0.084 52.969 53.050 0.006 0.000 0.949 488 N CB -0.036 38.454 38.487 0.004 0.000 1.136 488 N HN 0.540 nan 8.380 nan 0.000 0.550 489 A N -1.185 121.638 122.820 0.006 0.000 2.216 489 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 489 A C 1.439 179.032 177.584 0.015 0.000 1.160 489 A CA 0.577 52.619 52.037 0.008 0.000 0.725 489 A CB -0.860 18.141 19.000 0.001 0.000 0.784 489 A HN 0.565 nan 8.150 nan 0.000 0.472 490 L N -1.552 119.681 121.223 0.018 0.000 2.818 490 L HA 0.263 4.603 4.340 -0.000 0.000 0.243 490 L C 1.279 178.167 176.870 0.030 0.000 1.185 490 L CA 0.341 55.198 54.840 0.027 0.000 0.988 490 L CB -0.889 41.187 42.059 0.028 0.000 1.292 490 L HN 0.571 nan 8.230 nan 0.000 0.519 491 N N -0.540 118.176 118.700 0.026 0.000 2.741 491 N HA -0.250 4.489 4.740 -0.000 0.000 0.250 491 N C 0.189 175.713 175.510 0.024 0.000 1.115 491 N CA 1.332 54.398 53.050 0.026 0.000 0.724 491 N CB -2.310 36.196 38.487 0.032 0.000 1.090 491 N HN 0.492 nan 8.380 nan 0.000 0.558 492 K N 0.308 120.722 120.400 0.022 0.000 2.185 492 K HA 0.809 5.129 4.320 -0.000 0.000 0.269 492 K C 0.472 177.083 176.600 0.017 0.000 0.987 492 K CA 0.147 56.447 56.287 0.022 0.000 0.865 492 K CB 1.274 33.787 32.500 0.023 0.000 1.090 492 K HN 1.133 nan 8.250 nan 0.000 0.450 493 V N 3.563 123.488 119.914 0.018 0.000 2.540 493 V HA 0.083 4.203 4.120 -0.000 0.000 0.297 493 V C 0.469 176.569 176.094 0.011 0.000 1.024 493 V CA -0.123 62.186 62.300 0.015 0.000 1.105 493 V CB 0.354 32.187 31.823 0.018 0.000 0.938 493 V HN 0.723 nan 8.190 nan 0.000 0.482 494 L N 7.323 128.549 121.223 0.005 0.000 2.334 494 L HA 0.338 4.677 4.340 -0.000 0.000 0.286 494 L C 1.623 178.491 176.870 -0.003 0.000 1.108 494 L CA -0.033 54.808 54.840 0.001 0.000 0.875 494 L CB -0.123 41.934 42.059 -0.003 0.000 1.246 494 L HN 0.595 nan 8.230 nan 0.000 0.439 495 R N 1.718 122.219 120.500 0.001 0.000 2.096 495 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 495 R C 2.616 178.910 176.300 -0.010 0.000 1.127 495 R CA 1.682 57.782 56.100 -0.001 0.000 0.968 495 R CB -0.227 30.078 30.300 0.008 0.000 0.861 495 R HN 0.726 nan 8.270 nan 0.000 0.440 496 R N 1.053 121.548 120.500 -0.008 0.000 2.115 496 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 496 R C 1.813 178.101 176.300 -0.021 0.000 1.100 496 R CA 1.430 57.523 56.100 -0.012 0.000 0.980 496 R CB -0.981 29.315 30.300 -0.006 0.000 0.875 496 R HN 0.375 nan 8.270 nan 0.000 0.445 497 Q N -0.546 119.241 119.800 -0.021 0.000 2.172 497 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 497 Q C 2.082 178.056 176.000 -0.043 0.000 0.964 497 Q CA 1.269 57.056 55.803 -0.027 0.000 0.855 497 Q CB -0.038 28.688 28.738 -0.020 0.000 0.918 497 Q HN 0.471 nan 8.270 nan 0.000 0.444 498 L N -0.341 120.855 121.223 -0.045 0.000 2.056 498 L HA -0.117 4.222 4.340 -0.000 0.000 0.207 498 L C 2.055 178.860 176.870 -0.107 0.000 1.078 498 L CA 1.332 56.130 54.840 -0.070 0.000 0.749 498 L CB -0.591 41.438 42.059 -0.050 0.000 0.901 498 L HN 0.021 nan 8.230 nan 0.000 0.433 499 V N 0.009 119.875 119.914 -0.079 0.000 2.282 499 V HA -0.392 3.728 4.120 -0.000 0.000 0.249 499 V C 3.096 179.130 176.094 -0.100 0.000 1.057 499 V CA 2.464 64.712 62.300 -0.086 0.000 1.032 499 V CB -1.526 30.271 31.823 -0.043 0.000 0.645 499 V HN 0.720 nan 8.190 nan 0.000 0.447 500 Q N -0.524 119.232 119.800 -0.074 0.000 2.119 500 Q HA -0.293 4.047 4.340 -0.000 0.000 0.201 500 Q C 2.171 178.120 176.000 -0.086 0.000 0.972 500 Q CA 2.144 57.908 55.803 -0.064 0.000 0.847 500 Q CB -0.712 28.001 28.738 -0.041 0.000 0.903 500 Q HN 0.811 nan 8.270 nan 0.000 0.433 501 Q N 0.128 119.865 119.800 -0.106 0.000 2.119 501 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 501 Q C 2.144 178.030 176.000 -0.189 0.000 0.972 501 Q CA 2.204 57.937 55.803 -0.117 0.000 0.847 501 Q CB -0.152 28.524 28.738 -0.104 0.000 0.903 501 Q HN 0.762 nan 8.270 nan 0.000 0.433 502 V N -2.456 117.267 119.914 -0.319 0.000 2.725 502 V HA 0.258 4.378 4.120 -0.000 0.000 0.247 502 V C 1.254 177.118 176.094 -0.384 0.000 1.058 502 V CA 0.879 62.805 62.300 -0.622 0.000 1.080 502 V CB -0.778 30.268 31.823 -1.294 0.000 0.713 502 V HN 0.351 nan 8.190 nan 0.000 0.465 503 S N 0.000 115.574 115.700 -0.210 0.000 2.498 503 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 503 S CA 0.000 58.157 58.200 -0.072 0.000 1.107 503 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517