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 1x74_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.542 177.584 -0.069 0.000 1.274 2 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 2 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 3 G N 0.439 109.181 108.800 -0.096 0.000 2.553 3 G HA2 0.517 4.477 3.960 -0.000 0.000 0.278 3 G HA3 0.517 4.477 3.960 -0.000 0.000 0.278 3 G C -0.663 174.086 174.900 -0.251 0.000 1.349 3 G CA -0.530 44.465 45.100 -0.175 0.000 1.037 3 G HN 0.099 nan 8.290 nan 0.000 0.508 4 P HA -0.007 nan 4.420 nan 0.000 0.226 4 P C 1.348 178.494 177.300 -0.257 0.000 1.153 4 P CA 0.767 63.620 63.100 -0.412 0.000 0.777 4 P CB 0.203 31.454 31.700 -0.749 0.000 0.794 5 L N -0.521 120.566 121.223 -0.227 0.000 2.627 5 L HA 0.139 4.479 4.340 -0.000 0.000 0.232 5 L C 1.223 178.035 176.870 -0.097 0.000 1.150 5 L CA -0.205 54.554 54.840 -0.135 0.000 0.917 5 L CB -0.505 41.490 42.059 -0.108 0.000 1.104 5 L HN -0.070 nan 8.230 nan 0.000 0.445 6 S N 0.481 116.122 115.700 -0.099 0.000 2.575 6 S HA 0.233 4.703 4.470 -0.000 0.000 0.295 6 S C 1.305 175.866 174.600 -0.064 0.000 1.267 6 S CA 0.968 59.127 58.200 -0.069 0.000 1.074 6 S CB 0.368 63.529 63.200 -0.065 0.000 0.829 6 S HN 0.691 nan 8.310 nan 0.000 0.497 7 G N 3.125 111.892 108.800 -0.054 0.000 2.232 7 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 7 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 7 G C -0.069 174.769 174.900 -0.103 0.000 0.996 7 G CA 0.023 45.080 45.100 -0.072 0.000 0.626 7 G HN 0.958 nan 8.290 nan 0.000 0.509 8 L N 2.366 123.537 121.223 -0.086 0.000 2.360 8 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 8 L C 0.691 177.495 176.870 -0.111 0.000 1.121 8 L CA -0.322 54.459 54.840 -0.099 0.000 0.845 8 L CB 0.401 42.419 42.059 -0.068 0.000 1.143 8 L HN 0.257 nan 8.230 nan 0.000 0.452 9 R N 4.079 124.452 120.500 -0.213 0.000 2.229 9 R HA 0.622 4.962 4.340 -0.000 0.000 0.328 9 R C -1.274 174.957 176.300 -0.114 0.000 1.009 9 R CA -0.632 55.286 56.100 -0.302 0.000 0.864 9 R CB 1.429 31.156 30.300 -0.955 0.000 1.085 9 R HN 0.460 nan 8.270 nan 0.000 0.453 10 V N 4.084 124.061 119.914 0.106 0.000 2.531 10 V HA 0.315 4.435 4.120 -0.000 0.000 0.301 10 V C -0.343 175.880 176.094 0.215 0.000 1.034 10 V CA -0.885 61.480 62.300 0.109 0.000 0.865 10 V CB 2.096 33.954 31.823 0.059 0.000 0.995 10 V HN 0.434 nan 8.190 nan 0.000 0.424 11 V N 4.248 124.252 119.914 0.149 0.000 2.370 11 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 11 V C 0.024 176.132 176.094 0.024 0.000 1.023 11 V CA -0.387 61.986 62.300 0.121 0.000 0.857 11 V CB 1.621 33.520 31.823 0.126 0.000 0.985 11 V HN 0.961 nan 8.190 nan 0.000 0.443 12 E N 5.441 125.648 120.200 0.012 0.000 2.165 12 E HA 0.453 4.803 4.350 -0.000 0.000 0.266 12 E C -1.324 175.261 176.600 -0.026 0.000 0.889 12 E CA -0.682 55.705 56.400 -0.022 0.000 0.756 12 E CB 1.388 31.083 29.700 -0.008 0.000 1.131 12 E HN 0.624 nan 8.360 nan 0.000 0.411 13 L N 3.807 124.992 121.223 -0.063 0.000 2.261 13 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 13 L C 0.528 177.365 176.870 -0.055 0.000 1.059 13 L CA -0.698 54.125 54.840 -0.028 0.000 0.816 13 L CB 1.085 43.130 42.059 -0.025 0.000 1.191 13 L HN 0.640 nan 8.230 nan 0.000 0.431 14 A N 3.326 126.165 122.820 0.033 0.000 2.584 14 A HA 0.451 4.771 4.320 -0.000 0.000 0.239 14 A C 0.682 178.293 177.584 0.046 0.000 1.043 14 A CA 0.883 52.944 52.037 0.040 0.000 0.756 14 A CB -0.069 18.971 19.000 0.067 0.000 0.963 14 A HN 0.898 nan 8.150 nan 0.000 0.511 15 G N 0.430 109.239 108.800 0.016 0.000 2.815 15 G HA2 0.593 4.553 3.960 -0.000 0.000 0.305 15 G HA3 0.593 4.553 3.960 -0.000 0.000 0.305 15 G C -1.208 173.725 174.900 0.056 0.000 1.277 15 G CA -0.663 44.451 45.100 0.023 0.000 0.795 15 G HN 0.737 nan 8.290 nan 0.000 0.528 16 I N 0.268 120.877 120.570 0.065 0.000 2.533 16 I HA 0.604 4.774 4.170 -0.000 0.000 0.290 16 I C 0.843 177.021 176.117 0.101 0.000 1.056 16 I CA 0.644 62.000 61.300 0.094 0.000 1.057 16 I CB 1.953 40.017 38.000 0.107 0.000 1.240 16 I HN 1.335 nan 8.210 nan 0.000 0.423 17 G N 6.746 115.635 108.800 0.149 0.000 2.728 17 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.269 17 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.269 17 G C -1.983 173.077 174.900 0.268 0.000 1.334 17 G CA 0.162 45.370 45.100 0.179 0.000 0.974 17 G HN 0.435 nan 8.290 nan 0.000 0.550 18 P HA 0.003 nan 4.420 nan 0.000 0.215 18 P C 2.148 179.574 177.300 0.209 0.000 1.157 18 P CA 2.850 66.071 63.100 0.202 0.000 0.863 18 P CB -0.825 30.903 31.700 0.046 0.000 0.787 19 G N 1.535 110.394 108.800 0.099 0.000 2.553 19 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 19 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 19 G C -0.613 174.335 174.900 0.079 0.000 1.195 19 G CA 1.542 46.673 45.100 0.052 0.000 0.779 19 G HN 0.302 nan 8.290 nan 0.000 0.577 20 P HA -0.065 nan 4.420 nan 0.000 0.223 20 P C 1.127 178.501 177.300 0.124 0.000 1.151 20 P CA 1.458 64.614 63.100 0.093 0.000 0.787 20 P CB -0.064 31.693 31.700 0.095 0.000 0.788 21 H N 0.844 119.975 119.070 0.102 0.000 2.363 21 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 21 H C 1.999 177.359 175.328 0.053 0.000 1.074 21 H CA 1.925 58.014 56.048 0.069 0.000 1.354 21 H CB -0.611 29.239 29.762 0.147 0.000 1.397 21 H HN -0.023 nan 8.280 nan 0.000 0.516 22 A N 1.023 123.898 122.820 0.090 0.000 1.883 22 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 22 A C 2.624 180.188 177.584 -0.033 0.000 1.186 22 A CA 1.977 54.021 52.037 0.011 0.000 0.624 22 A CB -1.488 17.551 19.000 0.066 0.000 0.822 22 A HN 0.614 nan 8.150 nan 0.000 0.444 23 A N -0.680 122.137 122.820 -0.006 0.000 1.908 23 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 23 A C 2.294 179.858 177.584 -0.032 0.000 1.181 23 A CA 2.056 54.086 52.037 -0.012 0.000 0.627 23 A CB -0.576 18.426 19.000 0.003 0.000 0.818 23 A HN 0.660 nan 8.150 nan 0.000 0.445 24 M N -0.494 119.073 119.600 -0.056 0.000 2.086 24 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 24 M C 1.972 178.212 176.300 -0.100 0.000 1.067 24 M CA 1.988 57.244 55.300 -0.072 0.000 1.116 24 M CB -0.328 32.217 32.600 -0.091 0.000 1.348 24 M HN 0.426 nan 8.290 nan 0.000 0.407 25 I N 0.494 120.963 120.570 -0.167 0.000 2.286 25 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 25 I C 2.257 178.336 176.117 -0.063 0.000 1.115 25 I CA 1.097 62.318 61.300 -0.131 0.000 1.392 25 I CB -0.418 37.477 38.000 -0.175 0.000 1.065 25 I HN 0.374 nan 8.210 nan 0.000 0.418 26 L N 0.333 121.525 121.223 -0.052 0.000 2.012 26 L HA -0.174 4.165 4.340 -0.000 0.000 0.210 26 L C 2.714 179.566 176.870 -0.030 0.000 1.073 26 L CA 1.775 56.596 54.840 -0.033 0.000 0.748 26 L CB -1.267 40.780 42.059 -0.020 0.000 0.891 26 L HN 0.328 nan 8.230 nan 0.000 0.431 27 G N -0.574 108.211 108.800 -0.024 0.000 2.418 27 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 27 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 27 G C 1.127 176.011 174.900 -0.028 0.000 1.158 27 G CA 0.909 45.998 45.100 -0.018 0.000 0.771 27 G HN 0.297 nan 8.290 nan 0.000 0.545 28 D N 0.584 120.965 120.400 -0.032 0.000 2.123 28 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 28 D C 2.386 178.671 176.300 -0.025 0.000 0.992 28 D CA 0.626 54.609 54.000 -0.028 0.000 0.833 28 D CB -0.249 40.538 40.800 -0.022 0.000 0.954 28 D HN 0.304 nan 8.370 nan 0.000 0.455 29 L N -1.094 120.110 121.223 -0.031 0.000 2.599 29 L HA 0.220 4.560 4.340 -0.000 0.000 0.230 29 L C 1.459 178.264 176.870 -0.108 0.000 1.141 29 L CA 0.515 55.314 54.840 -0.067 0.000 0.877 29 L CB -0.010 42.003 42.059 -0.076 0.000 1.009 29 L HN 0.186 nan 8.230 nan 0.000 0.447 30 G N -0.456 108.302 108.800 -0.070 0.000 2.229 30 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.189 30 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.189 30 G C 0.423 175.297 174.900 -0.043 0.000 1.000 30 G CA -0.181 44.881 45.100 -0.064 0.000 0.663 30 G HN 0.415 nan 8.290 nan 0.000 0.493 31 A N 0.322 123.121 122.820 -0.036 0.000 2.466 31 A HA 0.475 4.795 4.320 -0.000 0.000 0.238 31 A C 0.273 177.873 177.584 0.027 0.000 1.074 31 A CA 0.766 52.795 52.037 -0.013 0.000 0.774 31 A CB 0.335 19.327 19.000 -0.013 0.000 1.015 31 A HN 0.367 nan 8.150 nan 0.000 0.498 32 D N 1.904 122.345 120.400 0.069 0.000 2.441 32 D HA 0.370 5.010 4.640 -0.000 0.000 0.221 32 D C -0.818 175.619 176.300 0.227 0.000 1.156 32 D CA 0.069 54.168 54.000 0.164 0.000 0.896 32 D CB 0.279 41.231 40.800 0.254 0.000 1.028 32 D HN 0.102 nan 8.370 nan 0.000 0.509 33 V N 4.182 124.180 119.914 0.139 0.000 2.370 33 V HA 0.318 4.438 4.120 -0.000 0.000 0.283 33 V C 0.272 176.411 176.094 0.077 0.000 1.023 33 V CA -0.855 61.516 62.300 0.119 0.000 0.857 33 V CB 1.779 33.635 31.823 0.054 0.000 0.985 33 V HN 0.255 nan 8.190 nan 0.000 0.443 34 V N 5.930 125.888 119.914 0.074 0.000 2.357 34 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 34 V C 0.192 176.272 176.094 -0.022 0.000 1.018 34 V CA -0.666 61.601 62.300 -0.054 0.000 0.841 34 V CB 1.486 33.157 31.823 -0.253 0.000 0.991 34 V HN 0.878 nan 8.190 nan 0.000 0.437 35 R N 5.377 125.861 120.500 -0.028 0.000 2.229 35 R HA 0.584 4.924 4.340 -0.000 0.000 0.328 35 R C -0.868 175.422 176.300 -0.017 0.000 1.009 35 R CA -0.537 55.556 56.100 -0.012 0.000 0.864 35 R CB 0.815 31.113 30.300 -0.003 0.000 1.085 35 R HN 0.695 nan 8.270 nan 0.000 0.453 36 I N 4.331 124.900 120.570 -0.002 0.000 2.301 36 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 36 I C 0.067 176.201 176.117 0.030 0.000 1.046 36 I CA -0.261 61.043 61.300 0.007 0.000 1.282 36 I CB 1.071 39.082 38.000 0.019 0.000 1.409 36 I HN 0.560 nan 8.210 nan 0.000 0.484 37 D N 5.773 126.186 120.400 0.022 0.000 2.392 37 D HA 0.389 5.029 4.640 -0.000 0.000 0.246 37 D C -0.004 176.315 176.300 0.032 0.000 1.013 37 D CA -0.695 53.326 54.000 0.036 0.000 0.993 37 D CB 1.562 42.378 40.800 0.026 0.000 1.219 37 D HN 0.306 nan 8.370 nan 0.000 0.538 38 R N 1.250 121.772 120.500 0.037 0.000 2.623 38 R HA 0.205 4.545 4.340 -0.000 0.000 0.271 38 R C -1.528 174.782 176.300 0.015 0.000 1.043 38 R CA -0.868 55.248 56.100 0.026 0.000 1.083 38 R CB -0.048 30.268 30.300 0.027 0.000 0.974 38 R HN 0.351 nan 8.270 nan 0.000 0.436 46 S N 5.646 121.348 115.700 0.002 0.000 2.562 46 S HA 0.360 4.830 4.470 -0.000 0.000 0.281 46 S C 0.907 175.509 174.600 0.004 0.000 1.333 46 S CA -0.030 58.173 58.200 0.006 0.000 1.052 46 S CB 0.741 63.947 63.200 0.010 0.000 0.884 46 S HN 0.719 nan 8.310 nan 0.000 0.506 47 R N 1.666 122.168 120.500 0.003 0.000 2.388 47 R HA 0.143 4.483 4.340 -0.000 0.000 0.247 47 R C -0.488 175.813 176.300 0.001 0.000 0.931 47 R CA -0.117 55.982 56.100 -0.002 0.000 1.082 47 R CB 0.075 30.371 30.300 -0.006 0.000 1.135 47 R HN 0.543 nan 8.270 nan 0.000 0.525 48 D N 0.505 120.910 120.400 0.009 0.000 2.393 48 D HA 0.129 4.769 4.640 -0.000 0.000 0.232 48 D C 0.919 177.230 176.300 0.018 0.000 1.192 48 D CA -0.216 53.793 54.000 0.014 0.000 0.882 48 D CB 1.296 42.110 40.800 0.024 0.000 1.038 48 D HN 0.130 nan 8.370 nan 0.000 0.499 49 A N 4.676 127.504 122.820 0.013 0.000 2.076 49 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 49 A C 2.060 179.668 177.584 0.041 0.000 1.160 49 A CA 1.048 53.101 52.037 0.026 0.000 0.653 49 A CB -0.543 18.462 19.000 0.009 0.000 0.801 49 A HN 0.736 nan 8.150 nan 0.000 0.455 50 M N -0.573 119.048 119.600 0.036 0.000 2.358 50 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 50 M C 0.627 176.950 176.300 0.039 0.000 1.064 50 M CA 1.240 56.567 55.300 0.044 0.000 1.093 50 M CB -0.177 32.459 32.600 0.060 0.000 1.401 50 M HN 0.365 nan 8.290 nan 0.000 0.440 51 L N 1.583 122.826 121.223 0.035 0.000 2.672 51 L HA 0.115 4.455 4.340 -0.000 0.000 0.236 51 L C 0.846 177.731 176.870 0.024 0.000 1.186 51 L CA -0.393 54.463 54.840 0.027 0.000 0.977 51 L CB -0.969 41.104 42.059 0.024 0.000 1.203 51 L HN 0.333 nan 8.230 nan 0.000 0.448 52 R N -0.639 119.880 120.500 0.033 0.000 2.774 52 R HA 0.065 4.405 4.340 -0.000 0.000 0.269 52 R C -0.008 176.301 176.300 0.014 0.000 1.068 52 R CA -0.506 55.614 56.100 0.034 0.000 1.180 52 R CB 0.102 30.442 30.300 0.067 0.000 1.077 52 R HN 0.098 nan 8.270 nan 0.000 0.513 53 N N 0.440 119.142 118.700 0.004 0.000 2.738 53 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 53 N C -1.221 174.289 175.510 0.000 0.000 1.047 53 N CA 1.063 54.110 53.050 -0.005 0.000 0.707 53 N CB -0.501 37.979 38.487 -0.013 0.000 0.937 53 N HN 0.579 nan 8.380 nan 0.000 0.545 54 R N 0.197 120.697 120.500 -0.001 0.000 2.837 54 R HA 0.510 4.850 4.340 -0.000 0.000 0.271 54 R C 0.365 176.656 176.300 -0.015 0.000 0.993 54 R CA -0.643 55.456 56.100 -0.003 0.000 0.931 54 R CB 1.552 31.851 30.300 -0.002 0.000 1.206 54 R HN 0.097 nan 8.270 nan 0.000 0.474 55 R N 1.091 121.573 120.500 -0.030 0.000 2.445 55 R HA 0.522 4.862 4.340 -0.000 0.000 0.308 55 R C -0.205 176.060 176.300 -0.058 0.000 0.961 55 R CA -0.798 55.269 56.100 -0.055 0.000 0.862 55 R CB 1.347 31.590 30.300 -0.095 0.000 1.144 55 R HN 0.333 nan 8.270 nan 0.000 0.447 56 I N 4.717 125.257 120.570 -0.049 0.000 2.336 56 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 56 I C 0.453 176.538 176.117 -0.053 0.000 0.991 56 I CA -0.592 60.684 61.300 -0.040 0.000 1.227 56 I CB 1.247 39.234 38.000 -0.022 0.000 1.366 56 I HN 0.387 nan 8.210 nan 0.000 0.466 57 V N 3.153 123.033 119.914 -0.057 0.000 3.103 57 V HA 0.769 4.889 4.120 -0.000 0.000 0.318 57 V C -0.155 175.920 176.094 -0.032 0.000 1.114 57 V CA -0.442 61.824 62.300 -0.057 0.000 1.020 57 V CB 2.089 33.860 31.823 -0.087 0.000 1.085 57 V HN 0.727 nan 8.190 nan 0.000 0.446 58 T N 1.574 116.112 114.554 -0.027 0.000 2.848 58 T HA 0.861 5.211 4.350 -0.000 0.000 0.285 58 T C -0.525 174.169 174.700 -0.010 0.000 0.995 58 T CA 0.210 62.303 62.100 -0.012 0.000 0.970 58 T CB 1.234 70.096 68.868 -0.010 0.000 0.976 58 T HN 1.567 nan 8.240 nan 0.000 0.441 59 A N 2.543 125.364 122.820 0.001 0.000 2.547 59 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 59 A C -1.339 176.251 177.584 0.010 0.000 1.056 59 A CA -0.767 51.272 52.037 0.004 0.000 0.688 59 A CB 1.480 20.483 19.000 0.006 0.000 1.282 59 A HN 0.658 nan 8.150 nan 0.000 0.400 60 D N 2.576 122.981 120.400 0.007 0.000 2.422 60 D HA 0.297 4.937 4.640 -0.000 0.000 0.227 60 D C 0.914 177.219 176.300 0.008 0.000 1.190 60 D CA -0.199 53.804 54.000 0.006 0.000 0.905 60 D CB 0.174 40.975 40.800 0.003 0.000 1.034 60 D HN 0.428 nan 8.370 nan 0.000 0.507 61 L N 2.730 123.960 121.223 0.011 0.000 2.450 61 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 61 L C 1.909 178.782 176.870 0.006 0.000 1.149 61 L CA 0.796 55.646 54.840 0.016 0.000 0.816 61 L CB -0.128 41.947 42.059 0.026 0.000 0.932 61 L HN 0.234 nan 8.230 nan 0.000 0.449 62 K N -0.285 120.113 120.400 -0.004 0.000 2.400 62 K HA 0.020 4.340 4.320 -0.000 0.000 0.194 62 K C 1.053 177.653 176.600 -0.000 0.000 1.033 62 K CA 0.070 56.353 56.287 -0.006 0.000 1.021 62 K CB 0.292 32.783 32.500 -0.014 0.000 0.808 62 K HN 0.246 nan 8.250 nan 0.000 0.505 63 S N 0.177 115.878 115.700 0.003 0.000 2.646 63 S HA 0.108 4.578 4.470 -0.000 0.000 0.276 63 S C 0.506 175.111 174.600 0.008 0.000 1.222 63 S CA -0.808 57.395 58.200 0.004 0.000 1.014 63 S CB 1.351 64.553 63.200 0.003 0.000 0.991 63 S HN -0.020 nan 8.310 nan 0.000 0.533 64 D N 1.169 121.573 120.400 0.008 0.000 2.104 64 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 64 D C 1.825 178.132 176.300 0.011 0.000 0.994 64 D CA 1.504 55.510 54.000 0.010 0.000 0.830 64 D CB -0.345 40.460 40.800 0.008 0.000 0.959 64 D HN 0.790 nan 8.370 nan 0.000 0.452 65 Q N 0.273 120.078 119.800 0.008 0.000 2.050 65 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 65 Q C 2.156 178.162 176.000 0.009 0.000 0.980 65 Q CA 1.742 57.550 55.803 0.008 0.000 0.840 65 Q CB -0.293 28.447 28.738 0.004 0.000 0.898 65 Q HN 0.287 nan 8.270 nan 0.000 0.424 66 G N 1.051 109.857 108.800 0.010 0.000 2.408 66 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 66 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 66 G C 1.343 176.255 174.900 0.019 0.000 1.150 66 G CA 0.768 45.875 45.100 0.012 0.000 0.776 66 G HN 0.372 nan 8.290 nan 0.000 0.542 67 L N 0.657 121.893 121.223 0.022 0.000 2.027 67 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 67 L C 2.536 179.425 176.870 0.032 0.000 1.074 67 L CA 2.553 57.411 54.840 0.030 0.000 0.745 67 L CB -0.741 41.335 42.059 0.029 0.000 0.898 67 L HN 0.390 nan 8.230 nan 0.000 0.433 68 E N -0.531 119.685 120.200 0.025 0.000 2.070 68 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 68 E C 2.209 178.826 176.600 0.028 0.000 1.004 68 E CA 2.004 58.419 56.400 0.026 0.000 0.805 68 E CB -0.238 29.474 29.700 0.020 0.000 0.744 68 E HN 0.605 nan 8.360 nan 0.000 0.451 69 L N 0.102 121.337 121.223 0.021 0.000 2.056 69 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 69 L C 2.678 179.563 176.870 0.025 0.000 1.078 69 L CA 0.977 55.827 54.840 0.017 0.000 0.749 69 L CB -0.466 41.596 42.059 0.004 0.000 0.901 69 L HN 0.185 nan 8.230 nan 0.000 0.433 70 A N 0.146 122.984 122.820 0.030 0.000 1.908 70 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 70 A C 2.270 179.890 177.584 0.060 0.000 1.181 70 A CA 1.656 53.718 52.037 0.042 0.000 0.627 70 A CB -0.773 18.255 19.000 0.047 0.000 0.818 70 A HN 0.371 nan 8.150 nan 0.000 0.445 71 L N -1.278 119.980 121.223 0.058 0.000 2.093 71 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 71 L C 2.573 179.485 176.870 0.071 0.000 1.085 71 L CA 1.508 56.388 54.840 0.066 0.000 0.755 71 L CB -0.308 41.786 42.059 0.058 0.000 0.904 71 L HN 0.355 nan 8.230 nan 0.000 0.435 72 K N -0.435 120.004 120.400 0.064 0.000 2.097 72 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 72 K C 1.980 178.648 176.600 0.114 0.000 1.050 72 K CA 0.986 57.317 56.287 0.073 0.000 0.938 72 K CB -0.065 32.468 32.500 0.055 0.000 0.718 72 K HN 0.049 nan 8.250 nan 0.000 0.442 73 L N 1.028 122.320 121.223 0.116 0.000 2.027 73 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 73 L C 1.898 178.929 176.870 0.268 0.000 1.074 73 L CA 1.501 56.458 54.840 0.194 0.000 0.745 73 L CB -0.197 41.917 42.059 0.092 0.000 0.898 73 L HN 0.139 nan 8.230 nan 0.000 0.433 74 I N -0.856 119.811 120.570 0.163 0.000 2.286 74 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 74 I C 2.435 178.611 176.117 0.098 0.000 1.115 74 I CA 1.076 62.453 61.300 0.128 0.000 1.392 74 I CB -0.468 37.587 38.000 0.091 0.000 1.065 74 I HN 0.273 nan 8.210 nan 0.000 0.418 75 A N 0.046 122.922 122.820 0.094 0.000 2.076 75 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 75 A C 1.983 179.592 177.584 0.041 0.000 1.160 75 A CA 1.519 53.594 52.037 0.063 0.000 0.653 75 A CB -0.178 18.858 19.000 0.061 0.000 0.801 75 A HN 0.176 nan 8.150 nan 0.000 0.455 76 K N -0.824 119.617 120.400 0.068 0.000 2.358 76 K HA 0.435 4.755 4.320 -0.000 0.000 0.200 76 K C 0.471 176.921 176.600 -0.249 0.000 1.030 76 K CA 0.624 56.898 56.287 -0.022 0.000 1.097 76 K CB -0.057 32.524 32.500 0.135 0.000 0.862 76 K HN 0.412 nan 8.250 nan 0.000 0.534 77 A N 0.767 123.491 122.820 -0.160 0.000 2.269 77 A HA 0.340 4.660 4.320 -0.000 0.000 0.319 77 A C 0.412 177.888 177.584 -0.180 0.000 1.110 77 A CA -0.418 51.458 52.037 -0.268 0.000 0.847 77 A CB 0.689 19.669 19.000 -0.033 0.000 1.161 77 A HN 0.022 nan 8.150 nan 0.000 0.497 78 D N -0.648 119.641 120.400 -0.186 0.000 2.216 78 D HA 0.121 4.761 4.640 -0.000 0.000 0.208 78 D C -0.074 176.192 176.300 -0.056 0.000 0.960 78 D CA 1.399 55.333 54.000 -0.110 0.000 0.861 78 D CB 0.441 41.172 40.800 -0.115 0.000 0.985 78 D HN 0.201 nan 8.370 nan 0.000 0.493 79 V N 1.431 121.315 119.914 -0.049 0.000 2.760 79 V HA 0.331 4.451 4.120 -0.000 0.000 0.309 79 V C -0.941 175.128 176.094 -0.042 0.000 1.077 79 V CA -0.943 61.338 62.300 -0.031 0.000 0.910 79 V CB 2.883 34.692 31.823 -0.023 0.000 1.008 79 V HN -0.065 nan 8.190 nan 0.000 0.424 80 L N 5.503 126.667 121.223 -0.099 0.000 2.341 80 L HA 0.720 5.060 4.340 -0.000 0.000 0.278 80 L C -0.905 175.829 176.870 -0.226 0.000 1.005 80 L CA 0.040 54.771 54.840 -0.183 0.000 0.818 80 L CB 1.488 43.347 42.059 -0.333 0.000 1.259 80 L HN 0.580 nan 8.230 nan 0.000 0.418 81 I N 4.325 124.792 120.570 -0.171 0.000 2.378 81 I HA 0.480 4.650 4.170 -0.000 0.000 0.291 81 I C -0.869 175.126 176.117 -0.203 0.000 0.992 81 I CA -0.447 60.762 61.300 -0.153 0.000 1.154 81 I CB 1.759 39.710 38.000 -0.081 0.000 1.315 81 I HN 0.738 nan 8.210 nan 0.000 0.448 82 E N 4.251 124.319 120.200 -0.220 0.000 2.340 82 E HA 0.689 5.039 4.350 -0.000 0.000 0.273 82 E C -0.332 176.114 176.600 -0.257 0.000 0.891 82 E CA -0.892 55.329 56.400 -0.299 0.000 0.757 82 E CB 1.864 31.427 29.700 -0.229 0.000 1.231 82 E HN 0.545 nan 8.360 nan 0.000 0.439 83 G N 1.657 110.202 108.800 -0.425 0.000 4.238 83 G HA2 0.194 4.154 3.960 -0.000 0.000 0.292 83 G HA3 0.194 4.154 3.960 -0.000 0.000 0.292 83 G C -0.812 173.988 174.900 -0.166 0.000 1.036 83 G CA -0.348 44.613 45.100 -0.232 0.000 0.812 83 G HN 0.400 nan 8.290 nan 0.000 0.489 84 Y N 0.098 120.420 120.300 0.036 0.000 2.281 84 Y HA 0.386 4.936 4.550 -0.000 0.000 0.337 84 Y C 1.316 177.240 175.900 0.040 0.000 1.304 84 Y CA -1.015 57.109 58.100 0.039 0.000 1.465 84 Y CB 0.757 39.245 38.460 0.047 0.000 1.350 84 Y HN -0.052 nan 8.280 nan 0.000 0.575 85 R N 1.800 122.440 120.500 0.232 0.000 2.640 85 R HA 0.069 4.409 4.340 -0.000 0.000 0.270 85 R C -2.587 173.798 176.300 0.141 0.000 1.024 85 R CA -1.338 54.850 56.100 0.147 0.000 1.085 85 R CB 0.018 30.387 30.300 0.116 0.000 0.963 85 R HN 0.264 nan 8.270 nan 0.000 0.426 86 P HA -0.025 nan 4.420 nan 0.000 0.264 86 P C 0.176 177.524 177.300 0.081 0.000 1.183 86 P CA 1.211 64.368 63.100 0.094 0.000 0.763 86 P CB 0.709 32.453 31.700 0.073 0.000 0.807 87 G N 1.161 110.007 108.800 0.077 0.000 2.234 87 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.235 87 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.235 87 G C 0.987 175.924 174.900 0.062 0.000 0.997 87 G CA 0.208 45.342 45.100 0.057 0.000 0.623 87 G HN 0.397 nan 8.290 nan 0.000 0.514 88 V N 1.964 121.930 119.914 0.087 0.000 2.283 88 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 88 V C 3.230 179.368 176.094 0.073 0.000 1.039 88 V CA 3.448 65.778 62.300 0.050 0.000 1.016 88 V CB -1.064 30.769 31.823 0.016 0.000 0.650 88 V HN 0.868 nan 8.190 nan 0.000 0.449 89 T N -1.433 113.228 114.554 0.178 0.000 2.788 89 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 89 T C 1.644 176.422 174.700 0.129 0.000 1.044 89 T CA 1.750 63.970 62.100 0.200 0.000 1.139 89 T CB -0.423 68.642 68.868 0.329 0.000 0.867 89 T HN 0.445 nan 8.240 nan 0.000 0.454 90 E N 1.150 121.407 120.200 0.095 0.000 2.058 90 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 90 E C 2.516 179.140 176.600 0.039 0.000 0.997 90 E CA 1.158 57.589 56.400 0.050 0.000 0.801 90 E CB -0.237 29.479 29.700 0.027 0.000 0.746 90 E HN 0.500 nan 8.360 nan 0.000 0.450 91 R N -0.209 120.311 120.500 0.033 0.000 2.148 91 R HA 0.028 4.368 4.340 -0.000 0.000 0.223 91 R C 2.144 178.453 176.300 0.016 0.000 1.088 91 R CA 0.609 56.720 56.100 0.018 0.000 0.985 91 R CB -0.122 30.183 30.300 0.008 0.000 0.880 91 R HN 0.197 nan 8.270 nan 0.000 0.451 92 L N -0.936 120.302 121.223 0.024 0.000 2.291 92 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 92 L C 1.282 178.174 176.870 0.038 0.000 1.120 92 L CA 0.958 55.812 54.840 0.024 0.000 0.799 92 L CB -0.013 42.062 42.059 0.027 0.000 0.925 92 L HN 0.500 nan 8.230 nan 0.000 0.446 93 G N -0.316 108.513 108.800 0.048 0.000 2.144 93 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 93 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 93 G C 0.413 175.358 174.900 0.075 0.000 0.988 93 G CA -0.099 45.031 45.100 0.050 0.000 0.659 93 G HN 0.263 nan 8.290 nan 0.000 0.522 94 L N 1.027 122.313 121.223 0.106 0.000 3.066 94 L HA 0.437 4.777 4.340 -0.000 0.000 0.265 94 L C 1.679 178.697 176.870 0.247 0.000 1.232 94 L CA 0.018 54.956 54.840 0.163 0.000 1.031 94 L CB 0.411 42.569 42.059 0.165 0.000 1.379 94 L HN 0.309 nan 8.230 nan 0.000 0.563 95 G N 0.370 109.257 108.800 0.145 0.000 2.634 95 G HA2 0.180 4.140 3.960 -0.000 0.000 0.255 95 G HA3 0.180 4.140 3.960 -0.000 0.000 0.255 95 G C -1.803 173.042 174.900 -0.092 0.000 1.205 95 G CA -0.773 44.358 45.100 0.052 0.000 0.884 95 G HN -0.030 nan 8.290 nan 0.000 0.549 96 P HA -0.093 nan 4.420 nan 0.000 0.216 96 P C 1.474 178.666 177.300 -0.180 0.000 1.150 96 P CA 1.357 64.104 63.100 -0.588 0.000 0.843 96 P CB 0.240 31.537 31.700 -0.672 0.000 0.787 97 E N -0.676 119.451 120.200 -0.122 0.000 2.106 97 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 97 E C 1.946 178.539 176.600 -0.012 0.000 0.984 97 E CA 0.704 57.072 56.400 -0.053 0.000 0.806 97 E CB -0.280 29.393 29.700 -0.044 0.000 0.750 97 E HN 0.289 nan 8.360 nan 0.000 0.458 98 E N 0.240 120.443 120.200 0.006 0.000 2.072 98 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 98 E C 2.194 178.830 176.600 0.060 0.000 0.982 98 E CA 0.636 57.057 56.400 0.036 0.000 0.803 98 E CB -0.321 29.409 29.700 0.049 0.000 0.755 98 E HN 0.289 nan 8.360 nan 0.000 0.453 99 C N 0.887 120.244 119.300 0.095 0.000 2.435 99 C HA 0.008 4.468 4.460 -0.000 0.000 0.279 99 C C 2.794 177.836 174.990 0.087 0.000 1.321 99 C CA 0.596 59.691 59.018 0.130 0.000 1.752 99 C CB -0.987 26.908 27.740 0.258 0.000 1.959 99 C HN 0.449 nan 8.230 nan 0.000 0.500 100 A N 0.679 123.533 122.820 0.056 0.000 1.978 100 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 100 A C 2.123 179.723 177.584 0.026 0.000 1.170 100 A CA 1.617 53.674 52.037 0.034 0.000 0.636 100 A CB -0.426 18.579 19.000 0.008 0.000 0.810 100 A HN 0.713 nan 8.150 nan 0.000 0.448 101 K N -0.503 119.913 120.400 0.027 0.000 2.148 101 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 101 K C 1.708 178.323 176.600 0.025 0.000 1.050 101 K CA 1.546 57.846 56.287 0.022 0.000 0.942 101 K CB -0.173 32.339 32.500 0.021 0.000 0.724 101 K HN 0.567 nan 8.250 nan 0.000 0.446 102 V N -2.814 117.122 119.914 0.035 0.000 3.565 102 V HA 0.140 4.260 4.120 -0.000 0.000 0.260 102 V C 0.240 176.353 176.094 0.032 0.000 1.231 102 V CA 0.167 62.489 62.300 0.035 0.000 1.100 102 V CB -0.179 31.671 31.823 0.045 0.000 0.807 102 V HN 0.250 nan 8.190 nan 0.000 0.454 103 N N 1.180 119.901 118.700 0.035 0.000 2.969 103 N HA 0.097 4.837 4.740 -0.000 0.000 0.230 103 N C -0.273 175.255 175.510 0.030 0.000 1.397 103 N CA 0.422 53.489 53.050 0.028 0.000 0.762 103 N CB 0.960 39.466 38.487 0.033 0.000 1.495 103 N HN 0.394 nan 8.380 nan 0.000 0.583 104 D N 1.672 122.082 120.400 0.017 0.000 2.349 104 D HA -0.036 4.604 4.640 -0.000 0.000 0.224 104 D C 0.943 177.249 176.300 0.011 0.000 1.029 104 D CA 0.352 54.361 54.000 0.016 0.000 0.879 104 D CB 0.165 40.969 40.800 0.007 0.000 0.906 104 D HN 0.459 nan 8.370 nan 0.000 0.528 105 R N -0.626 119.877 120.500 0.004 0.000 2.317 105 R HA 0.220 4.560 4.340 -0.000 0.000 0.208 105 R C 0.200 176.502 176.300 0.003 0.000 0.914 105 R CA -0.568 55.529 56.100 -0.006 0.000 1.060 105 R CB 0.119 30.403 30.300 -0.026 0.000 1.015 105 R HN 0.128 nan 8.270 nan 0.000 0.498 106 L N 2.141 123.379 121.223 0.025 0.000 2.462 106 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 106 L C -0.304 176.607 176.870 0.068 0.000 1.166 106 L CA 0.295 55.161 54.840 0.043 0.000 0.880 106 L CB 0.457 42.564 42.059 0.080 0.000 1.142 106 L HN -0.042 nan 8.230 nan 0.000 0.473 107 I N 6.515 127.115 120.570 0.050 0.000 2.322 107 I HA 0.049 4.219 4.170 -0.000 0.000 0.292 107 I C -0.466 175.708 176.117 0.095 0.000 1.060 107 I CA -0.051 61.292 61.300 0.071 0.000 1.309 107 I CB -0.304 37.721 38.000 0.042 0.000 1.415 107 I HN 0.575 nan 8.210 nan 0.000 0.492 108 Y N 5.956 126.266 120.300 0.017 0.000 2.504 108 Y HA 0.587 5.137 4.550 -0.000 0.000 0.339 108 Y C 0.212 176.124 175.900 0.019 0.000 0.974 108 Y CA -0.690 57.422 58.100 0.020 0.000 1.232 108 Y CB 0.910 39.383 38.460 0.022 0.000 1.108 108 Y HN 0.669 nan 8.280 nan 0.000 0.509 109 A N 7.509 130.346 122.820 0.029 0.000 2.249 109 A HA 0.590 4.910 4.320 -0.000 0.000 0.314 109 A C -0.615 176.995 177.584 0.044 0.000 1.290 109 A CA -0.855 51.215 52.037 0.056 0.000 0.893 109 A CB 0.330 19.336 19.000 0.010 0.000 1.165 109 A HN 0.857 nan 8.150 nan 0.000 0.530 110 R N 2.490 123.056 120.500 0.111 0.000 2.246 110 R HA 0.400 4.740 4.340 -0.000 0.000 0.332 110 R C -0.998 175.323 176.300 0.035 0.000 0.974 110 R CA -0.570 55.589 56.100 0.098 0.000 0.837 110 R CB 1.450 31.846 30.300 0.160 0.000 1.145 110 R HN 0.687 nan 8.270 nan 0.000 0.467 111 M N 3.266 122.862 119.600 -0.006 0.000 2.055 111 M HA 0.199 4.679 4.480 -0.000 0.000 0.347 111 M C -0.649 175.612 176.300 -0.066 0.000 1.123 111 M CA -0.053 55.229 55.300 -0.029 0.000 1.035 111 M CB 1.111 33.695 32.600 -0.026 0.000 1.484 111 M HN 0.716 nan 8.290 nan 0.000 0.428 112 T N 0.700 115.189 114.554 -0.108 0.000 2.838 112 T HA 0.778 5.128 4.350 -0.000 0.000 0.292 112 T C 0.584 175.040 174.700 -0.406 0.000 1.113 112 T CA -0.429 61.563 62.100 -0.180 0.000 1.008 112 T CB 1.285 70.097 68.868 -0.093 0.000 1.259 112 T HN 0.498 nan 8.240 nan 0.000 0.520 113 G N -1.089 107.268 108.800 -0.739 0.000 2.441 113 G HA2 0.103 4.063 3.960 -0.000 0.000 0.212 113 G HA3 0.103 4.063 3.960 -0.000 0.000 0.212 113 G C 0.712 174.938 174.900 -1.124 0.000 1.164 113 G CA -0.358 43.703 45.100 -1.732 0.000 0.811 113 G HN 0.805 nan 8.290 nan 0.000 0.535 114 W N 0.509 121.561 121.300 -0.413 0.000 3.114 114 W HA 0.454 5.114 4.660 -0.000 0.000 0.279 114 W C 1.304 177.751 176.519 -0.120 0.000 1.277 114 W CA 0.199 57.443 57.345 -0.168 0.000 1.630 114 W CB 0.684 30.124 29.460 -0.034 0.000 1.087 114 W HN 0.503 nan 8.180 nan 0.000 0.637 115 G N 0.349 109.183 108.800 0.057 0.000 2.603 115 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 115 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 115 G C 0.200 175.134 174.900 0.057 0.000 1.286 115 G CA -0.480 44.642 45.100 0.038 0.000 0.871 115 G HN -0.065 nan 8.290 nan 0.000 0.568 116 Q N -0.566 119.257 119.800 0.038 0.000 2.230 116 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 116 Q C 1.853 177.874 176.000 0.035 0.000 0.963 116 Q CA 2.098 57.924 55.803 0.038 0.000 0.866 116 Q CB -0.111 28.643 28.738 0.026 0.000 0.931 116 Q HN 1.220 nan 8.270 nan 0.000 0.452 117 T N -3.932 110.640 114.554 0.029 0.000 2.864 117 T HA 0.742 5.092 4.350 -0.000 0.000 0.289 117 T C 0.161 174.869 174.700 0.014 0.000 1.082 117 T CA -0.285 61.825 62.100 0.017 0.000 1.009 117 T CB 2.464 71.335 68.868 0.005 0.000 1.234 117 T HN 0.329 nan 8.240 nan 0.000 0.526 118 G N 1.049 109.846 108.800 -0.006 0.000 2.570 118 G HA2 0.105 4.065 3.960 -0.000 0.000 0.686 118 G HA3 0.105 4.065 3.960 -0.000 0.000 0.686 118 G C -2.250 172.619 174.900 -0.053 0.000 1.257 118 G CA -0.297 44.787 45.100 -0.027 0.000 0.846 118 G HN 0.686 nan 8.290 nan 0.000 0.627 119 P HA -0.053 nan 4.420 nan 0.000 0.220 119 P C 1.355 178.557 177.300 -0.164 0.000 1.148 119 P CA 1.020 64.057 63.100 -0.105 0.000 0.803 119 P CB 0.091 31.725 31.700 -0.110 0.000 0.782 120 R N -0.099 120.242 120.500 -0.264 0.000 2.334 120 R HA 0.112 4.452 4.340 -0.000 0.000 0.216 120 R C 2.198 178.365 176.300 -0.222 0.000 0.905 120 R CA 0.532 56.361 56.100 -0.453 0.000 1.064 120 R CB -0.298 29.324 30.300 -1.131 0.000 1.046 120 R HN 0.261 nan 8.270 nan 0.000 0.508 121 S N 0.548 116.224 115.700 -0.039 0.000 2.442 121 S HA -0.131 4.339 4.470 -0.000 0.000 0.236 121 S C 1.566 176.244 174.600 0.131 0.000 1.007 121 S CA 0.837 59.098 58.200 0.103 0.000 0.965 121 S CB 0.090 63.331 63.200 0.067 0.000 0.773 121 S HN 0.210 nan 8.310 nan 0.000 0.504 122 Q N 0.652 120.499 119.800 0.078 0.000 2.247 122 Q HA 0.281 4.621 4.340 -0.000 0.000 0.204 122 Q C 0.281 176.348 176.000 0.111 0.000 0.872 122 Q CA 0.029 55.884 55.803 0.087 0.000 0.951 122 Q CB 0.269 29.035 28.738 0.047 0.000 1.099 122 Q HN 0.791 nan 8.270 nan 0.000 0.501 123 Q N 0.382 120.272 119.800 0.149 0.000 2.243 123 Q HA 0.499 4.839 4.340 -0.000 0.000 0.252 123 Q C -0.714 175.470 176.000 0.307 0.000 0.909 123 Q CA -0.315 55.590 55.803 0.169 0.000 0.922 123 Q CB 1.215 29.987 28.738 0.058 0.000 1.215 123 Q HN 0.167 nan 8.270 nan 0.000 0.427 124 A N 2.495 125.438 122.820 0.204 0.000 2.466 124 A HA 0.596 4.916 4.320 -0.000 0.000 0.238 124 A C 0.316 178.025 177.584 0.209 0.000 1.074 124 A CA 0.728 52.859 52.037 0.157 0.000 0.774 124 A CB 0.212 19.264 19.000 0.087 0.000 1.015 124 A HN 0.906 nan 8.150 nan 0.000 0.498 125 G N -0.090 108.716 108.800 0.010 0.000 2.495 125 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 125 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 125 G C -1.327 173.231 174.900 -0.571 0.000 1.397 125 G CA -0.649 44.348 45.100 -0.171 0.000 0.790 125 G HN 0.866 nan 8.290 nan 0.000 0.486 126 H N -0.998 117.752 119.070 -0.533 0.000 2.931 126 H HA 0.345 4.901 4.556 -0.000 0.000 0.331 126 H C 0.586 175.440 175.328 -0.790 0.000 1.273 126 H CA -0.215 55.567 56.048 -0.444 0.000 1.171 126 H CB 2.362 31.998 29.762 -0.211 0.000 1.898 126 H HN 0.641 nan 8.280 nan 0.000 0.562 127 D N 0.833 121.098 120.400 -0.226 0.000 2.154 127 D HA -0.182 4.458 4.640 -0.000 0.000 0.190 127 D C 1.849 178.001 176.300 -0.247 0.000 1.003 127 D CA 1.484 55.378 54.000 -0.177 0.000 0.849 127 D CB 0.076 40.812 40.800 -0.106 0.000 0.942 127 D HN 0.514 nan 8.370 nan 0.000 0.446 128 I N 0.300 120.759 120.570 -0.185 0.000 2.335 128 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 128 I C 1.625 177.658 176.117 -0.141 0.000 1.129 128 I CA 1.389 62.619 61.300 -0.118 0.000 1.402 128 I CB -0.158 37.800 38.000 -0.070 0.000 1.069 128 I HN 0.064 nan 8.210 nan 0.000 0.424 129 N N -0.517 118.002 118.700 -0.300 0.000 2.171 129 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 129 N C 1.571 176.985 175.510 -0.160 0.000 1.021 129 N CA 1.392 54.318 53.050 -0.207 0.000 0.854 129 N CB -0.242 38.100 38.487 -0.241 0.000 0.994 129 N HN 0.310 nan 8.380 nan 0.000 0.426 130 Y N 1.251 121.398 120.300 -0.256 0.000 2.200 130 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 130 Y C 2.098 177.970 175.900 -0.047 0.000 1.137 130 Y CA 0.311 58.200 58.100 -0.353 0.000 1.163 130 Y CB -0.927 37.232 38.460 -0.501 0.000 0.988 130 Y HN 0.148 nan 8.280 nan 0.000 0.518 131 I N -3.165 117.452 120.570 0.079 0.000 3.111 131 I HA -0.027 4.143 4.170 -0.000 0.000 0.272 131 I C 2.299 178.485 176.117 0.115 0.000 1.268 131 I CA 1.335 62.692 61.300 0.095 0.000 1.467 131 I CB -0.426 37.609 38.000 0.058 0.000 1.087 131 I HN 0.079 nan 8.210 nan 0.000 0.467 132 S N 1.559 117.326 115.700 0.112 0.000 2.402 132 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 132 S C 1.864 176.569 174.600 0.176 0.000 1.021 132 S CA 1.181 59.462 58.200 0.134 0.000 0.974 132 S CB -0.321 62.947 63.200 0.114 0.000 0.800 132 S HN 0.517 nan 8.310 nan 0.000 0.484 133 L N 2.366 123.733 121.223 0.240 0.000 2.446 133 L HA 0.278 4.617 4.340 -0.000 0.000 0.219 133 L C 1.323 178.319 176.870 0.210 0.000 1.116 133 L CA 1.025 56.010 54.840 0.242 0.000 0.844 133 L CB -0.313 41.966 42.059 0.367 0.000 0.970 133 L HN 0.661 nan 8.230 nan 0.000 0.457 134 N N -2.669 116.162 118.700 0.218 0.000 2.235 134 N HA 0.218 4.958 4.740 -0.000 0.000 0.231 134 N C 1.095 176.779 175.510 0.291 0.000 1.177 134 N CA 0.564 53.762 53.050 0.246 0.000 0.874 134 N CB 0.776 39.395 38.487 0.221 0.000 1.097 134 N HN 0.089 nan 8.380 nan 0.000 0.518 135 G N 1.420 110.338 108.800 0.197 0.000 2.217 135 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 135 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 135 G C 0.734 175.693 174.900 0.098 0.000 0.990 135 G CA 0.341 45.514 45.100 0.122 0.000 0.627 135 G HN 0.317 nan 8.290 nan 0.000 0.522 136 I N 0.092 120.730 120.570 0.114 0.000 2.163 136 I HA -0.065 4.105 4.170 -0.000 0.000 0.240 136 I C 2.611 178.783 176.117 0.091 0.000 1.081 136 I CA 1.569 62.916 61.300 0.078 0.000 1.353 136 I CB -0.317 37.730 38.000 0.078 0.000 1.054 136 I HN 0.287 nan 8.210 nan 0.000 0.407 137 L N 0.454 121.738 121.223 0.102 0.000 2.083 137 L HA -0.275 4.065 4.340 -0.000 0.000 0.209 137 L C 2.650 179.575 176.870 0.092 0.000 1.083 137 L CA 1.974 56.863 54.840 0.082 0.000 0.752 137 L CB -1.098 41.004 42.059 0.072 0.000 0.899 137 L HN 0.314 nan 8.230 nan 0.000 0.433 138 H N -0.259 118.835 119.070 0.040 0.000 2.457 138 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 138 H C 1.669 177.021 175.328 0.040 0.000 1.092 138 H CA 1.416 57.485 56.048 0.036 0.000 1.309 138 H CB 0.285 30.070 29.762 0.037 0.000 1.382 138 H HN 0.484 nan 8.280 nan 0.000 0.535 139 A N 0.444 123.368 122.820 0.173 0.000 2.251 139 A HA 0.221 4.541 4.320 -0.000 0.000 0.209 139 A C 0.976 178.623 177.584 0.105 0.000 1.187 139 A CA -0.170 51.969 52.037 0.171 0.000 0.823 139 A CB 0.039 19.167 19.000 0.214 0.000 0.846 139 A HN 0.244 nan 8.150 nan 0.000 0.486 140 I N 0.054 120.653 120.570 0.048 0.000 2.354 140 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 140 I C 0.628 176.739 176.117 -0.009 0.000 0.989 140 I CA 0.088 61.408 61.300 0.033 0.000 1.188 140 I CB 1.471 39.491 38.000 0.033 0.000 1.342 140 I HN 0.347 nan 8.210 nan 0.000 0.457 141 G N 5.344 114.136 108.800 -0.015 0.000 2.371 141 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.663 141 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.663 141 G C -1.086 173.782 174.900 -0.053 0.000 1.311 141 G CA -1.139 43.936 45.100 -0.041 0.000 0.985 141 G HN 0.410 nan 8.290 nan 0.000 0.566 142 R N 0.017 120.478 120.500 -0.064 0.000 2.594 142 R HA 0.423 4.763 4.340 -0.000 0.000 0.272 142 R C 1.799 178.059 176.300 -0.067 0.000 1.074 142 R CA 0.247 56.306 56.100 -0.068 0.000 1.105 142 R CB 0.543 30.801 30.300 -0.071 0.000 1.008 142 R HN 1.074 nan 8.270 nan 0.000 0.472 143 G N 1.306 110.068 108.800 -0.064 0.000 2.443 143 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 143 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 143 G C 0.588 175.455 174.900 -0.054 0.000 1.131 143 G CA 0.546 45.609 45.100 -0.062 0.000 0.775 143 G HN 0.671 nan 8.290 nan 0.000 0.547 144 D N 0.070 120.442 120.400 -0.047 0.000 2.336 144 D HA 0.121 4.761 4.640 -0.000 0.000 0.228 144 D C 0.367 176.643 176.300 -0.039 0.000 1.120 144 D CA 0.005 53.982 54.000 -0.038 0.000 0.839 144 D CB 0.115 40.896 40.800 -0.030 0.000 0.932 144 D HN 0.395 nan 8.370 nan 0.000 0.509 145 E N -0.097 120.073 120.200 -0.050 0.000 2.429 145 E HA 0.306 4.656 4.350 -0.000 0.000 0.276 145 E C -0.367 176.198 176.600 -0.059 0.000 0.953 145 E CA -1.202 55.169 56.400 -0.047 0.000 0.787 145 E CB 2.008 31.680 29.700 -0.045 0.000 1.307 145 E HN 0.076 nan 8.360 nan 0.000 0.458 146 R N 0.458 120.928 120.500 -0.050 0.000 2.694 146 R HA 0.283 4.623 4.340 -0.000 0.000 0.268 146 R C -2.361 173.900 176.300 -0.065 0.000 1.061 146 R CA -1.264 54.802 56.100 -0.057 0.000 1.133 146 R CB -0.598 29.681 30.300 -0.036 0.000 1.020 146 R HN 0.087 nan 8.270 nan 0.000 0.475 147 P HA -0.070 nan 4.420 nan 0.000 0.267 147 P C -0.816 176.461 177.300 -0.038 0.000 1.200 147 P CA -0.232 62.827 63.100 -0.068 0.000 0.772 147 P CB 0.705 32.367 31.700 -0.064 0.000 0.855 148 V N 4.509 124.405 119.914 -0.031 0.000 2.555 148 V HA 0.485 4.605 4.120 -0.000 0.000 0.302 148 V C -2.369 173.719 176.094 -0.010 0.000 1.038 148 V CA -2.755 59.532 62.300 -0.022 0.000 0.887 148 V CB 1.794 33.600 31.823 -0.029 0.000 0.991 148 V HN 0.464 nan 8.190 nan 0.000 0.434 149 P HA 0.287 nan 4.420 nan 0.000 0.271 149 P C -2.641 174.663 177.300 0.007 0.000 1.220 149 P CA -1.595 61.504 63.100 -0.002 0.000 0.768 149 P CB 0.135 31.830 31.700 -0.009 0.000 0.848 150 P HA 0.120 nan 4.420 nan 0.000 0.220 150 P C 0.460 177.787 177.300 0.044 0.000 1.806 150 P CA -0.059 63.059 63.100 0.029 0.000 0.976 150 P CB -0.322 31.400 31.700 0.036 0.000 1.952 151 L N -0.658 120.590 121.223 0.042 0.000 7.036 151 L HA -0.323 4.017 4.340 -0.000 0.000 0.055 151 L C 1.065 177.951 176.870 0.027 0.000 1.497 151 L CA 1.561 56.433 54.840 0.053 0.000 1.662 151 L CB -1.422 40.699 42.059 0.103 0.000 2.723 151 L HN 0.357 nan 8.230 nan 0.000 1.084 152 N N 0.294 119.011 118.700 0.029 0.000 2.453 152 N HA 0.244 4.984 4.740 -0.000 0.000 0.270 152 N C 0.694 176.168 175.510 -0.060 0.000 1.195 152 N CA -0.054 52.955 53.050 -0.068 0.000 0.902 152 N CB 0.136 38.519 38.487 -0.173 0.000 1.186 152 N HN 0.620 nan 8.380 nan 0.000 0.510 153 L N -0.625 120.650 121.223 0.086 0.000 2.156 153 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 153 L C 1.714 178.658 176.870 0.123 0.000 1.095 153 L CA 0.690 55.641 54.840 0.185 0.000 0.770 153 L CB 0.101 42.259 42.059 0.165 0.000 0.914 153 L HN 0.063 nan 8.230 nan 0.000 0.439 154 V N -1.065 118.883 119.914 0.057 0.000 2.575 154 V HA 0.068 4.188 4.120 -0.000 0.000 0.242 154 V C 2.319 178.435 176.094 0.037 0.000 1.045 154 V CA 1.460 63.798 62.300 0.063 0.000 1.065 154 V CB -0.369 31.487 31.823 0.055 0.000 0.717 154 V HN 0.451 nan 8.190 nan 0.000 0.467 155 G N -0.388 108.404 108.800 -0.014 0.000 2.439 155 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 155 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 155 G C 1.169 176.010 174.900 -0.099 0.000 1.199 155 G CA 0.703 45.791 45.100 -0.019 0.000 0.807 155 G HN 0.421 nan 8.290 nan 0.000 0.537 156 D N 0.069 120.305 120.400 -0.274 0.000 2.117 156 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 156 D C 2.005 178.032 176.300 -0.455 0.000 0.987 156 D CA 0.926 54.608 54.000 -0.531 0.000 0.829 156 D CB -0.060 40.068 40.800 -1.120 0.000 0.961 156 D HN 0.323 nan 8.370 nan 0.000 0.460 157 F N -0.244 119.705 119.950 -0.001 0.000 2.485 157 F HA 0.291 4.818 4.527 -0.000 0.000 0.274 157 F C 2.576 178.429 175.800 0.088 0.000 0.963 157 F CA 0.384 58.370 58.000 -0.023 0.000 1.169 157 F CB -1.159 37.720 39.000 -0.201 0.000 1.145 157 F HN -0.095 nan 8.300 nan 0.000 0.682 158 G N -0.283 108.676 108.800 0.265 0.000 2.440 158 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 158 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 158 G C 1.719 176.818 174.900 0.331 0.000 1.154 158 G CA 1.036 46.280 45.100 0.240 0.000 0.767 158 G HN 0.550 nan 8.290 nan 0.000 0.552 159 G N -0.735 108.224 108.800 0.266 0.000 3.393 159 G HA2 0.478 4.438 3.960 -0.000 0.000 0.255 159 G HA3 0.478 4.438 3.960 -0.000 0.000 0.255 159 G C 0.793 175.801 174.900 0.179 0.000 1.097 159 G CA 0.977 46.223 45.100 0.245 0.000 0.780 159 G HN 0.665 nan 8.290 nan 0.000 0.540 160 G N 0.694 109.627 108.800 0.222 0.000 2.543 160 G HA2 0.203 4.163 3.960 -0.000 0.000 0.202 160 G HA3 0.203 4.163 3.960 -0.000 0.000 0.202 160 G C 1.875 176.897 174.900 0.203 0.000 1.897 160 G CA 1.104 46.277 45.100 0.123 0.000 0.726 160 G HN 0.414 nan 8.290 nan 0.000 0.804 161 S N 0.538 116.381 115.700 0.238 0.000 2.387 161 S HA -0.169 4.301 4.470 -0.000 0.000 0.230 161 S C 2.376 177.114 174.600 0.230 0.000 1.035 161 S CA 1.997 60.363 58.200 0.277 0.000 1.014 161 S CB -0.380 63.116 63.200 0.494 0.000 0.836 161 S HN 0.146 nan 8.310 nan 0.000 0.466 162 M N 0.422 120.166 119.600 0.240 0.000 2.159 162 M HA 0.130 4.610 4.480 -0.000 0.000 0.263 162 M C 1.869 178.145 176.300 -0.041 0.000 1.063 162 M CA 1.093 56.444 55.300 0.086 0.000 1.110 162 M CB -1.624 31.001 32.600 0.042 0.000 1.374 162 M HN 0.338 nan 8.290 nan 0.000 0.411 163 F N -0.128 119.861 119.950 0.064 0.000 2.293 163 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 163 F C 2.211 178.032 175.800 0.036 0.000 1.089 163 F CA 0.522 58.546 58.000 0.040 0.000 1.377 163 F CB -0.619 38.396 39.000 0.026 0.000 1.051 163 F HN 0.022 nan 8.300 nan 0.000 0.511 164 L N 0.015 121.357 121.223 0.197 0.000 2.042 164 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 164 L C 2.079 178.993 176.870 0.073 0.000 1.076 164 L CA 1.790 56.700 54.840 0.117 0.000 0.749 164 L CB -0.666 41.450 42.059 0.095 0.000 0.893 164 L HN 0.107 nan 8.230 nan 0.000 0.432 165 L N -2.108 119.146 121.223 0.053 0.000 2.027 165 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 165 L C 2.410 179.281 176.870 0.003 0.000 1.074 165 L CA 1.032 55.884 54.840 0.020 0.000 0.745 165 L CB -0.622 41.441 42.059 0.006 0.000 0.898 165 L HN 0.073 nan 8.230 nan 0.000 0.433 166 V N 0.231 120.124 119.914 -0.034 0.000 2.332 166 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 166 V C 2.574 178.676 176.094 0.014 0.000 1.055 166 V CA 2.100 64.371 62.300 -0.048 0.000 1.038 166 V CB -1.302 30.428 31.823 -0.155 0.000 0.651 166 V HN 0.602 nan 8.190 nan 0.000 0.450 167 G N -0.455 108.377 108.800 0.053 0.000 2.402 167 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 167 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 167 G C 1.584 176.522 174.900 0.063 0.000 1.162 167 G CA 0.909 46.053 45.100 0.074 0.000 0.777 167 G HN 0.478 nan 8.290 nan 0.000 0.539 168 I N 0.368 120.969 120.570 0.052 0.000 2.142 168 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 168 I C 2.674 178.819 176.117 0.047 0.000 1.078 168 I CA 0.931 62.258 61.300 0.044 0.000 1.343 168 I CB -0.173 37.844 38.000 0.028 0.000 1.046 168 I HN 0.116 nan 8.210 nan 0.000 0.405 169 L N 0.132 121.380 121.223 0.042 0.000 2.156 169 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 169 L C 2.758 179.682 176.870 0.091 0.000 1.095 169 L CA 0.958 55.829 54.840 0.053 0.000 0.770 169 L CB -0.700 41.379 42.059 0.033 0.000 0.914 169 L HN 0.215 nan 8.230 nan 0.000 0.439 170 A N 0.297 123.163 122.820 0.078 0.000 1.898 170 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 170 A C 2.531 180.216 177.584 0.168 0.000 1.181 170 A CA 1.597 53.701 52.037 0.112 0.000 0.620 170 A CB -0.603 18.434 19.000 0.063 0.000 0.819 170 A HN 0.366 nan 8.150 nan 0.000 0.442 171 A N -0.432 122.458 122.820 0.116 0.000 2.015 171 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 171 A C 2.092 179.731 177.584 0.092 0.000 1.163 171 A CA 1.294 53.392 52.037 0.102 0.000 0.646 171 A CB -0.513 18.532 19.000 0.076 0.000 0.806 171 A HN 0.466 nan 8.150 nan 0.000 0.448 172 L N -1.516 119.763 121.223 0.094 0.000 2.093 172 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 172 L C 2.574 179.500 176.870 0.094 0.000 1.085 172 L CA 1.213 56.094 54.840 0.068 0.000 0.755 172 L CB -0.482 41.609 42.059 0.052 0.000 0.904 172 L HN 0.806 nan 8.230 nan 0.000 0.435 173 W N 1.480 122.775 121.300 -0.008 0.000 2.355 173 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 173 W C 2.236 178.753 176.519 -0.004 0.000 1.206 173 W CA 1.744 59.086 57.345 -0.006 0.000 1.284 173 W CB -0.133 29.326 29.460 -0.001 0.000 1.145 173 W HN 0.239 nan 8.180 nan 0.000 0.502 174 E N 1.183 121.453 120.200 0.117 0.000 2.118 174 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 174 E C 2.259 178.797 176.600 -0.104 0.000 0.992 174 E CA 1.459 57.861 56.400 0.004 0.000 0.804 174 E CB -0.510 29.249 29.700 0.098 0.000 0.741 174 E HN 0.323 nan 8.360 nan 0.000 0.458 175 R N 0.271 120.729 120.500 -0.069 0.000 2.152 175 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 175 R C 2.392 178.613 176.300 -0.133 0.000 1.117 175 R CA 1.292 57.346 56.100 -0.078 0.000 0.981 175 R CB 0.012 30.285 30.300 -0.044 0.000 0.870 175 R HN 0.250 nan 8.270 nan 0.000 0.451 176 Q N -0.385 119.286 119.800 -0.216 0.000 2.112 176 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 176 Q C 2.023 177.880 176.000 -0.238 0.000 0.987 176 Q CA 2.280 57.926 55.803 -0.262 0.000 0.858 176 Q CB 0.002 28.472 28.738 -0.448 0.000 0.905 176 Q HN 0.449 nan 8.270 nan 0.000 0.420 177 S N -1.022 114.525 115.700 -0.256 0.000 2.497 177 S HA 0.007 4.477 4.470 -0.000 0.000 0.221 177 S C 1.972 176.506 174.600 -0.111 0.000 1.037 177 S CA 0.439 58.529 58.200 -0.182 0.000 0.920 177 S CB 0.173 63.254 63.200 -0.198 0.000 0.800 177 S HN 0.327 nan 8.310 nan 0.000 0.505 178 S N 0.867 116.511 115.700 -0.094 0.000 2.446 178 S HA 0.402 4.872 4.470 -0.000 0.000 0.225 178 S C 1.870 176.439 174.600 -0.051 0.000 1.016 178 S CA 0.849 59.015 58.200 -0.057 0.000 0.943 178 S CB -0.777 62.401 63.200 -0.037 0.000 0.786 178 S HN 1.552 nan 8.310 nan 0.000 0.508 179 G N 0.901 109.664 108.800 -0.062 0.000 2.176 179 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 179 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 179 G C -0.045 174.833 174.900 -0.038 0.000 0.979 179 G CA 0.459 45.528 45.100 -0.052 0.000 0.641 179 G HN 0.626 nan 8.290 nan 0.000 0.530 180 K N -0.224 120.158 120.400 -0.030 0.000 2.395 180 K HA 0.630 4.950 4.320 -0.000 0.000 0.247 180 K C 0.735 177.332 176.600 -0.006 0.000 0.973 180 K CA -0.398 55.880 56.287 -0.015 0.000 0.828 180 K CB 2.056 34.551 32.500 -0.009 0.000 1.272 180 K HN 0.219 nan 8.250 nan 0.000 0.439 181 G N 0.237 109.041 108.800 0.008 0.000 2.574 181 G HA2 0.491 4.451 3.960 -0.000 0.000 0.248 181 G HA3 0.491 4.451 3.960 -0.000 0.000 0.248 181 G C -0.735 174.184 174.900 0.033 0.000 1.422 181 G CA -0.036 45.079 45.100 0.025 0.000 1.051 181 G HN 0.674 nan 8.290 nan 0.000 0.560 182 Q N -3.352 116.479 119.800 0.052 0.000 2.975 182 Q HA 0.425 4.765 4.340 -0.000 0.000 0.324 182 Q C -1.997 174.049 176.000 0.077 0.000 0.830 182 Q CA -0.916 54.916 55.803 0.048 0.000 0.818 182 Q CB 1.098 29.858 28.738 0.037 0.000 1.440 182 Q HN 0.449 nan 8.270 nan 0.000 0.475 183 V N 1.232 121.180 119.914 0.057 0.000 2.439 183 V HA 0.459 4.579 4.120 -0.000 0.000 0.282 183 V C -0.423 175.722 176.094 0.086 0.000 1.039 183 V CA -0.640 61.711 62.300 0.085 0.000 0.913 183 V CB 1.476 33.303 31.823 0.006 0.000 0.983 183 V HN 0.516 nan 8.190 nan 0.000 0.460 184 V N 3.777 123.761 119.914 0.116 0.000 2.370 184 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 184 V C -0.227 175.920 176.094 0.088 0.000 1.029 184 V CA -0.426 61.929 62.300 0.091 0.000 0.870 184 V CB 1.641 33.517 31.823 0.089 0.000 0.984 184 V HN 0.952 nan 8.190 nan 0.000 0.451 185 D N 4.882 125.320 120.400 0.063 0.000 2.467 185 D HA 0.493 5.133 4.640 -0.000 0.000 0.220 185 D C -0.001 176.318 176.300 0.032 0.000 1.103 185 D CA -0.230 53.798 54.000 0.046 0.000 0.886 185 D CB 1.280 42.098 40.800 0.030 0.000 1.025 185 D HN 0.655 nan 8.370 nan 0.000 0.514 186 A N 3.149 125.988 122.820 0.031 0.000 2.280 186 A HA 0.690 5.009 4.320 -0.000 0.000 0.320 186 A C -0.084 177.475 177.584 -0.042 0.000 1.366 186 A CA -0.616 51.433 52.037 0.021 0.000 0.938 186 A CB 0.565 19.607 19.000 0.069 0.000 1.157 186 A HN 0.618 nan 8.150 nan 0.000 0.536 187 A N 3.255 126.024 122.820 -0.085 0.000 2.276 187 A HA 0.567 4.887 4.320 -0.000 0.000 0.316 187 A C 0.996 178.451 177.584 -0.216 0.000 1.229 187 A CA -0.615 51.329 52.037 -0.155 0.000 0.851 187 A CB 0.203 19.142 19.000 -0.102 0.000 1.165 187 A HN 0.883 nan 8.150 nan 0.000 0.513 188 M N 2.462 121.868 119.600 -0.324 0.000 2.144 188 M HA -0.159 4.321 4.480 -0.000 0.000 0.260 188 M C 1.926 178.097 176.300 -0.216 0.000 1.067 188 M CA 1.699 56.826 55.300 -0.287 0.000 1.095 188 M CB -0.378 31.994 32.600 -0.381 0.000 1.365 188 M HN 0.634 nan 8.290 nan 0.000 0.406 189 V N 0.538 120.320 119.914 -0.219 0.000 2.490 189 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 189 V C 1.554 177.609 176.094 -0.064 0.000 1.061 189 V CA 2.100 64.376 62.300 -0.041 0.000 1.064 189 V CB -0.379 31.528 31.823 0.140 0.000 0.670 189 V HN 0.412 nan 8.190 nan 0.000 0.461 190 D N 0.144 120.463 120.400 -0.134 0.000 2.144 190 D HA 0.008 4.648 4.640 -0.000 0.000 0.207 190 D C 2.104 178.190 176.300 -0.357 0.000 0.970 190 D CA 1.486 55.373 54.000 -0.188 0.000 0.853 190 D CB -0.815 39.879 40.800 -0.176 0.000 1.007 190 D HN 0.498 nan 8.370 nan 0.000 0.469 191 G N 0.933 109.422 108.800 -0.517 0.000 2.440 191 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 191 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 191 G C 1.744 176.223 174.900 -0.701 0.000 1.154 191 G CA 1.768 46.172 45.100 -1.160 0.000 0.767 191 G HN 0.402 nan 8.290 nan 0.000 0.552 192 S N 0.584 116.125 115.700 -0.264 0.000 2.399 192 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 192 S C 2.419 177.011 174.600 -0.013 0.000 1.022 192 S CA 1.718 59.881 58.200 -0.062 0.000 0.983 192 S CB -0.401 62.802 63.200 0.005 0.000 0.803 192 S HN 0.239 nan 8.310 nan 0.000 0.480 193 S N 1.571 117.246 115.700 -0.042 0.000 2.356 193 S HA -0.033 4.437 4.470 -0.000 0.000 0.223 193 S C 1.961 176.579 174.600 0.031 0.000 1.032 193 S CA 1.334 59.563 58.200 0.048 0.000 1.005 193 S CB -0.629 62.541 63.200 -0.049 0.000 0.867 193 S HN 0.451 nan 8.310 nan 0.000 0.449 194 V N 1.708 121.560 119.914 -0.103 0.000 2.427 194 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 194 V C 2.197 178.377 176.094 0.143 0.000 1.051 194 V CA 1.212 63.512 62.300 0.000 0.000 1.048 194 V CB -0.644 31.161 31.823 -0.029 0.000 0.666 194 V HN 0.329 nan 8.190 nan 0.000 0.456 195 L N -0.408 120.907 121.223 0.153 0.000 2.127 195 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 195 L C 1.834 178.779 176.870 0.126 0.000 1.089 195 L CA 1.871 56.846 54.840 0.225 0.000 0.757 195 L CB -0.245 41.960 42.059 0.242 0.000 0.899 195 L HN 0.299 nan 8.230 nan 0.000 0.434 196 I N -0.906 119.731 120.570 0.113 0.000 3.884 196 I HA -0.020 4.149 4.170 -0.000 0.000 0.330 196 I C 1.751 177.940 176.117 0.119 0.000 1.451 196 I CA 0.010 61.343 61.300 0.056 0.000 1.165 196 I CB -0.205 37.802 38.000 0.011 0.000 1.097 196 I HN 0.385 nan 8.210 nan 0.000 0.404 197 Q N 0.982 120.883 119.800 0.167 0.000 2.181 197 Q HA -0.266 4.074 4.340 -0.000 0.000 0.205 197 Q C 1.983 178.052 176.000 0.115 0.000 0.980 197 Q CA 1.836 57.764 55.803 0.208 0.000 0.862 197 Q CB -0.114 28.700 28.738 0.127 0.000 0.905 197 Q HN 0.642 nan 8.270 nan 0.000 0.429 198 M N -0.630 118.974 119.600 0.007 0.000 2.149 198 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 198 M C 1.728 177.932 176.300 -0.160 0.000 1.064 198 M CA 1.424 56.688 55.300 -0.060 0.000 1.102 198 M CB 0.065 32.610 32.600 -0.092 0.000 1.369 198 M HN 0.197 nan 8.290 nan 0.000 0.408 199 M N -1.028 118.375 119.600 -0.328 0.000 2.175 199 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 199 M C 1.434 177.515 176.300 -0.364 0.000 1.063 199 M CA 1.946 56.886 55.300 -0.601 0.000 1.119 199 M CB -0.816 31.184 32.600 -1.000 0.000 1.377 199 M HN 0.363 nan 8.290 nan 0.000 0.415 200 W N -0.112 121.109 121.300 -0.130 0.000 2.342 200 W HA -0.133 4.527 4.660 -0.000 0.000 0.297 200 W C 2.549 179.053 176.519 -0.025 0.000 1.213 200 W CA 1.284 58.598 57.345 -0.053 0.000 1.251 200 W CB -0.699 28.737 29.460 -0.040 0.000 1.136 200 W HN 0.235 nan 8.180 nan 0.000 0.526 201 A N -0.090 122.832 122.820 0.170 0.000 1.858 201 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 201 A C 1.943 179.577 177.584 0.083 0.000 1.190 201 A CA 1.866 53.968 52.037 0.108 0.000 0.617 201 A CB -0.877 18.165 19.000 0.069 0.000 0.827 201 A HN 0.247 nan 8.150 nan 0.000 0.443 202 M N -1.530 118.100 119.600 0.050 0.000 2.159 202 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 202 M C 2.394 178.773 176.300 0.133 0.000 1.063 202 M CA 1.588 56.943 55.300 0.091 0.000 1.110 202 M CB -0.307 32.358 32.600 0.110 0.000 1.374 202 M HN 0.437 nan 8.290 nan 0.000 0.411 203 R N 0.384 120.954 120.500 0.117 0.000 2.117 203 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 203 R C 2.097 178.465 176.300 0.113 0.000 1.143 203 R CA 1.723 57.899 56.100 0.127 0.000 0.968 203 R CB -0.266 30.077 30.300 0.071 0.000 0.863 203 R HN 0.392 nan 8.270 nan 0.000 0.444 204 A N -0.361 122.529 122.820 0.118 0.000 2.067 204 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 204 A C 1.740 179.368 177.584 0.074 0.000 1.158 204 A CA 1.747 53.843 52.037 0.099 0.000 0.661 204 A CB -0.280 18.781 19.000 0.102 0.000 0.801 204 A HN 0.550 nan 8.150 nan 0.000 0.452 205 T N -5.385 109.212 114.554 0.073 0.000 3.174 205 T HA 0.454 4.804 4.350 -0.000 0.000 0.269 205 T C 1.156 175.888 174.700 0.053 0.000 1.017 205 T CA 0.902 63.036 62.100 0.057 0.000 0.899 205 T CB 0.187 69.087 68.868 0.053 0.000 1.077 205 T HN 1.601 nan 8.240 nan 0.000 0.552 206 G N 1.864 110.700 108.800 0.060 0.000 2.162 206 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 206 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 206 G C 0.637 175.569 174.900 0.053 0.000 0.976 206 G CA 0.449 45.576 45.100 0.044 0.000 0.655 206 G HN 0.547 nan 8.290 nan 0.000 0.533 207 M N -1.007 118.651 119.600 0.097 0.000 2.495 207 M HA 0.326 4.806 4.480 -0.000 0.000 0.237 207 M C 0.565 177.006 176.300 0.234 0.000 1.131 207 M CA 0.297 55.674 55.300 0.129 0.000 1.032 207 M CB 0.376 33.055 32.600 0.132 0.000 1.513 207 M HN 0.367 nan 8.290 nan 0.000 0.488 208 W N 0.567 121.851 121.300 -0.026 0.000 3.372 208 W HA 0.337 4.997 4.660 -0.000 0.000 0.315 208 W C -1.274 175.215 176.519 -0.049 0.000 1.223 208 W CA -0.583 56.736 57.345 -0.043 0.000 1.202 208 W CB 1.675 31.093 29.460 -0.071 0.000 1.367 208 W HN -0.086 nan 8.180 nan 0.000 0.531 209 T N 0.024 114.363 114.554 -0.358 0.000 2.924 209 T HA 0.272 4.622 4.350 -0.000 0.000 0.291 209 T C 0.100 174.727 174.700 -0.122 0.000 1.045 209 T CA -0.439 61.560 62.100 -0.168 0.000 1.015 209 T CB 2.060 70.815 68.868 -0.190 0.000 1.103 209 T HN 0.239 nan 8.240 nan 0.000 0.496 210 D N 0.942 121.333 120.400 -0.016 0.000 2.378 210 D HA 0.103 4.743 4.640 -0.000 0.000 0.227 210 D C 0.391 176.736 176.300 0.074 0.000 1.012 210 D CA 0.607 54.629 54.000 0.035 0.000 0.905 210 D CB -0.254 40.540 40.800 -0.010 0.000 0.895 210 D HN 0.590 nan 8.370 nan 0.000 0.532 211 T N 1.380 115.924 114.554 -0.016 0.000 2.769 211 T HA 0.064 4.414 4.350 -0.000 0.000 0.293 211 T C 0.571 175.245 174.700 -0.042 0.000 0.931 211 T CA -0.379 61.712 62.100 -0.014 0.000 1.139 211 T CB 0.835 69.664 68.868 -0.065 0.000 0.881 211 T HN 0.018 nan 8.240 nan 0.000 0.532 212 R N 2.409 122.904 120.500 -0.008 0.000 2.537 212 R HA 0.330 4.670 4.340 -0.000 0.000 0.280 212 R C 1.279 177.538 176.300 -0.068 0.000 1.058 212 R CA 1.106 57.179 56.100 -0.044 0.000 1.057 212 R CB -0.107 30.121 30.300 -0.119 0.000 0.973 212 R HN 0.958 nan 8.270 nan 0.000 0.438 213 G N 2.163 110.923 108.800 -0.068 0.000 2.147 213 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 213 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 213 G C 0.145 174.992 174.900 -0.089 0.000 1.005 213 G CA 0.212 45.269 45.100 -0.073 0.000 0.713 213 G HN 0.835 nan 8.290 nan 0.000 0.515 214 A N -0.522 122.216 122.820 -0.138 0.000 2.585 214 A HA 0.613 4.932 4.320 -0.000 0.000 0.281 214 A C 0.451 177.918 177.584 -0.195 0.000 0.945 214 A CA 0.080 52.051 52.037 -0.110 0.000 1.031 214 A CB 0.401 19.343 19.000 -0.096 0.000 1.221 214 A HN 0.313 nan 8.150 nan 0.000 0.496 215 N N -1.269 117.243 118.700 -0.314 0.000 2.761 215 N HA 0.320 5.060 4.740 -0.000 0.000 0.283 215 N C 0.716 176.064 175.510 -0.269 0.000 1.377 215 N CA -0.670 52.063 53.050 -0.529 0.000 0.791 215 N CB 1.022 38.563 38.487 -1.577 0.000 1.540 215 N HN 0.192 nan 8.380 nan 0.000 0.539 216 M N 0.301 119.793 119.600 -0.180 0.000 2.213 216 M HA 0.045 4.525 4.480 -0.000 0.000 0.263 216 M C 0.555 176.762 176.300 -0.155 0.000 1.062 216 M CA 1.773 57.048 55.300 -0.043 0.000 1.105 216 M CB 0.109 32.771 32.600 0.104 0.000 1.385 216 M HN 0.388 nan 8.290 nan 0.000 0.417 217 L N -0.388 120.842 121.223 0.012 0.000 2.959 217 L HA 0.151 4.491 4.340 -0.000 0.000 0.259 217 L C 0.302 177.291 176.870 0.200 0.000 1.185 217 L CA -0.309 54.455 54.840 -0.127 0.000 0.998 217 L CB 0.079 42.091 42.059 -0.079 0.000 1.337 217 L HN 0.247 nan 8.230 nan 0.000 0.555 218 D N -1.124 119.385 120.400 0.182 0.000 2.431 218 D HA 0.191 4.831 4.640 -0.000 0.000 0.213 218 D C 1.319 177.650 176.300 0.052 0.000 1.130 218 D CA 0.541 54.638 54.000 0.161 0.000 0.834 218 D CB 0.882 41.784 40.800 0.171 0.000 0.985 218 D HN 0.139 nan 8.370 nan 0.000 0.504 219 G N -0.308 108.508 108.800 0.027 0.000 2.218 219 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 219 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 219 G C 1.303 176.107 174.900 -0.160 0.000 0.994 219 G CA 0.162 45.216 45.100 -0.076 0.000 0.637 219 G HN 0.600 nan 8.290 nan 0.000 0.505 220 G N 0.747 109.455 108.800 -0.154 0.000 2.432 220 G HA2 0.379 4.339 3.960 -0.000 0.000 0.219 220 G HA3 0.379 4.339 3.960 -0.000 0.000 0.219 220 G C 0.970 175.619 174.900 -0.418 0.000 1.135 220 G CA 1.654 46.657 45.100 -0.161 0.000 0.767 220 G HN 1.766 nan 8.290 nan 0.000 0.550 221 A N 0.423 122.821 122.820 -0.704 0.000 2.289 221 A HA 0.639 4.959 4.320 -0.000 0.000 0.298 221 A C -1.155 175.795 177.584 -1.057 0.000 1.208 221 A CA -1.313 49.794 52.037 -1.550 0.000 0.845 221 A CB 1.375 19.453 19.000 -1.536 0.000 1.125 221 A HN 0.039 nan 8.150 nan 0.000 0.517 222 P HA -0.143 nan 4.420 nan 0.000 0.222 222 P C 0.456 177.730 177.300 -0.043 0.000 1.147 222 P CA 1.394 64.287 63.100 -0.345 0.000 0.790 222 P CB -0.117 31.460 31.700 -0.204 0.000 0.780 223 Y N -4.565 115.694 120.300 -0.069 0.000 2.468 223 Y HA 0.350 4.900 4.550 -0.000 0.000 0.268 223 Y C 0.223 176.206 175.900 0.139 0.000 1.177 223 Y CA -0.987 57.185 58.100 0.119 0.000 1.265 223 Y CB -0.845 37.724 38.460 0.182 0.000 1.103 223 Y HN -0.137 nan 8.280 nan 0.000 0.522 224 Y N 1.807 121.965 120.300 -0.237 0.000 2.592 224 Y HA 0.520 5.070 4.550 -0.000 0.000 0.354 224 Y C -1.360 174.436 175.900 -0.173 0.000 1.063 224 Y CA -1.136 56.887 58.100 -0.128 0.000 1.205 224 Y CB 0.266 38.650 38.460 -0.127 0.000 1.106 224 Y HN 0.227 nan 8.280 nan 0.000 0.649 225 D N 0.546 120.797 120.400 -0.247 0.000 2.764 225 D HA 0.225 4.865 4.640 -0.000 0.000 0.293 225 D C -0.914 175.210 176.300 -0.292 0.000 1.287 225 D CA -0.144 53.689 54.000 -0.277 0.000 0.768 225 D CB 1.613 42.211 40.800 -0.337 0.000 1.288 225 D HN 0.262 nan 8.370 nan 0.000 0.426 226 T N -1.215 113.134 114.554 -0.341 0.000 2.918 226 T HA 0.719 5.069 4.350 -0.000 0.000 0.283 226 T C -0.569 173.866 174.700 -0.443 0.000 1.001 226 T CA -0.242 61.686 62.100 -0.287 0.000 1.041 226 T CB 0.880 69.587 68.868 -0.269 0.000 1.028 226 T HN 0.280 nan 8.240 nan 0.000 0.511 227 Y N -0.510 119.676 120.300 -0.191 0.000 2.442 227 Y HA 0.447 4.997 4.550 -0.000 0.000 0.344 227 Y C 0.238 176.169 175.900 0.052 0.000 0.976 227 Y CA -1.097 56.930 58.100 -0.121 0.000 1.040 227 Y CB 2.065 40.319 38.460 -0.345 0.000 1.228 227 Y HN 0.839 nan 8.280 nan 0.000 0.451 228 E N 2.280 122.643 120.200 0.272 0.000 2.289 228 E HA 0.415 4.764 4.350 -0.000 0.000 0.278 228 E C -0.872 175.813 176.600 0.142 0.000 1.032 228 E CA -0.267 56.238 56.400 0.174 0.000 0.854 228 E CB 0.591 30.381 29.700 0.151 0.000 1.046 228 E HN 0.695 nan 8.360 nan 0.000 0.409 229 C N 2.544 121.881 119.300 0.061 0.000 2.484 229 C HA 0.493 4.953 4.460 -0.000 0.000 0.409 229 C C 1.835 176.884 174.990 0.097 0.000 1.434 229 C CA -0.061 59.074 59.018 0.194 0.000 1.913 229 C CB 0.788 28.700 27.740 0.287 0.000 2.028 229 C HN 0.991 nan 8.230 nan 0.000 0.516 230 A N 0.948 123.841 122.820 0.123 0.000 2.024 230 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 230 A C 1.541 179.126 177.584 0.001 0.000 1.164 230 A CA 2.320 54.383 52.037 0.043 0.000 0.643 230 A CB -0.527 18.481 19.000 0.014 0.000 0.806 230 A HN 0.959 nan 8.150 nan 0.000 0.451 231 D N -2.523 117.870 120.400 -0.011 0.000 2.349 231 D HA 0.269 4.909 4.640 -0.000 0.000 0.214 231 D C 1.148 177.394 176.300 -0.089 0.000 1.063 231 D CA 0.815 54.791 54.000 -0.041 0.000 0.847 231 D CB -0.553 40.228 40.800 -0.032 0.000 0.933 231 D HN 0.745 nan 8.370 nan 0.000 0.513 232 G N 0.617 109.335 108.800 -0.136 0.000 2.179 232 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 232 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 232 G C 0.382 174.975 174.900 -0.512 0.000 0.977 232 G CA 0.172 45.130 45.100 -0.236 0.000 0.641 232 G HN 0.472 nan 8.290 nan 0.000 0.533 233 R N -1.246 118.986 120.500 -0.447 0.000 2.606 233 R HA 0.734 5.074 4.340 -0.000 0.000 0.249 233 R C -0.516 175.374 176.300 -0.684 0.000 1.127 233 R CA -0.589 55.170 56.100 -0.568 0.000 1.133 233 R CB 0.610 30.798 30.300 -0.186 0.000 1.243 233 R HN 0.231 nan 8.270 nan 0.000 0.558 234 Y N -0.796 119.509 120.300 0.009 0.000 2.545 234 Y HA 0.449 4.999 4.550 -0.000 0.000 0.348 234 Y C -0.113 175.763 175.900 -0.040 0.000 1.002 234 Y CA -1.161 56.925 58.100 -0.023 0.000 1.039 234 Y CB 1.755 40.174 38.460 -0.070 0.000 1.271 234 Y HN 0.274 nan 8.280 nan 0.000 0.467 235 V N -0.784 119.156 119.914 0.045 0.000 2.919 235 V HA 1.021 5.141 4.120 -0.000 0.000 0.316 235 V C -0.441 175.557 176.094 -0.160 0.000 1.077 235 V CA -1.244 61.001 62.300 -0.091 0.000 0.977 235 V CB 1.457 33.118 31.823 -0.270 0.000 1.039 235 V HN 0.953 nan 8.190 nan 0.000 0.441 236 A N 2.159 124.870 122.820 -0.182 0.000 2.330 236 A HA 0.840 5.160 4.320 -0.000 0.000 0.327 236 A C -0.641 176.789 177.584 -0.256 0.000 1.155 236 A CA -0.664 51.243 52.037 -0.216 0.000 0.803 236 A CB 1.479 20.358 19.000 -0.200 0.000 1.208 236 A HN 1.196 nan 8.150 nan 0.000 0.477 237 V N 1.875 121.648 119.914 -0.235 0.000 2.417 237 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 237 V C 0.884 176.864 176.094 -0.190 0.000 1.024 237 V CA 0.337 62.528 62.300 -0.182 0.000 0.861 237 V CB 1.728 33.517 31.823 -0.056 0.000 0.985 237 V HN 1.179 nan 8.190 nan 0.000 0.436 238 G N 3.072 111.803 108.800 -0.115 0.000 4.250 238 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 238 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 238 G C 0.397 175.451 174.900 0.256 0.000 1.081 238 G CA 0.429 45.521 45.100 -0.013 0.000 0.854 238 G HN 0.895 nan 8.290 nan 0.000 0.524 239 A N 0.866 123.856 122.820 0.283 0.000 3.004 239 A HA 0.544 4.864 4.320 -0.000 0.000 0.286 239 A C 1.337 179.109 177.584 0.314 0.000 1.632 239 A CA -0.385 51.849 52.037 0.328 0.000 1.339 239 A CB -0.451 18.715 19.000 0.276 0.000 1.136 239 A HN 0.379 nan 8.150 nan 0.000 0.577 240 I N -0.086 120.677 120.570 0.321 0.000 2.193 240 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 240 I C 0.806 176.869 176.117 -0.091 0.000 1.084 240 I CA 0.746 62.113 61.300 0.111 0.000 1.365 240 I CB -0.145 37.999 38.000 0.241 0.000 1.064 240 I HN 0.463 nan 8.210 nan 0.000 0.410 241 E N 2.016 122.204 120.200 -0.021 0.000 2.373 241 E HA 0.010 4.360 4.350 -0.000 0.000 0.267 241 E C -1.522 174.948 176.600 -0.217 0.000 1.032 241 E CA -1.255 55.001 56.400 -0.239 0.000 0.889 241 E CB 0.152 29.496 29.700 -0.594 0.000 0.984 241 E HN 0.073 nan 8.360 nan 0.000 0.425 242 P HA -0.265 nan 4.420 nan 0.000 0.217 242 P C 0.946 178.233 177.300 -0.022 0.000 1.148 242 P CA 1.399 64.449 63.100 -0.083 0.000 0.828 242 P CB 0.282 31.928 31.700 -0.088 0.000 0.783 243 Q N -1.069 118.633 119.800 -0.163 0.000 2.245 243 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 243 Q C 1.867 177.927 176.000 0.100 0.000 0.955 243 Q CA 1.246 57.002 55.803 -0.078 0.000 0.870 243 Q CB -1.050 27.603 28.738 -0.143 0.000 0.945 243 Q HN 0.181 nan 8.270 nan 0.000 0.461 244 F N 0.365 120.351 119.950 0.061 0.000 2.187 244 F HA -0.002 4.525 4.527 -0.000 0.000 0.295 244 F C 2.362 178.199 175.800 0.062 0.000 1.091 244 F CA -0.127 57.906 58.000 0.055 0.000 1.308 244 F CB -1.408 37.624 39.000 0.053 0.000 1.030 244 F HN 0.055 nan 8.300 nan 0.000 0.487 245 Y N 1.156 121.529 120.300 0.121 0.000 2.165 245 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 245 Y C 2.425 178.352 175.900 0.045 0.000 1.155 245 Y CA 1.510 59.635 58.100 0.041 0.000 1.164 245 Y CB -0.606 37.822 38.460 -0.054 0.000 0.978 245 Y HN -0.015 nan 8.280 nan 0.000 0.513 246 A N 0.412 123.283 122.820 0.085 0.000 1.902 246 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 246 A C 2.428 180.010 177.584 -0.003 0.000 1.181 246 A CA 1.959 54.003 52.037 0.012 0.000 0.623 246 A CB -1.514 17.527 19.000 0.068 0.000 0.818 246 A HN 0.608 nan 8.150 nan 0.000 0.443 247 A N -0.963 121.900 122.820 0.073 0.000 1.933 247 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 247 A C 2.243 179.905 177.584 0.131 0.000 1.175 247 A CA 1.775 53.880 52.037 0.113 0.000 0.628 247 A CB -0.508 18.592 19.000 0.167 0.000 0.814 247 A HN 0.546 nan 8.150 nan 0.000 0.444 248 M N -0.367 119.244 119.600 0.019 0.000 2.086 248 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 248 M C 2.041 178.305 176.300 -0.061 0.000 1.067 248 M CA 1.666 56.923 55.300 -0.072 0.000 1.116 248 M CB -0.432 32.023 32.600 -0.240 0.000 1.348 248 M HN 0.461 nan 8.290 nan 0.000 0.407 249 L N -0.190 120.899 121.223 -0.223 0.000 2.046 249 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 249 L C 2.723 179.554 176.870 -0.065 0.000 1.077 249 L CA 1.247 55.966 54.840 -0.202 0.000 0.747 249 L CB -1.123 40.788 42.059 -0.246 0.000 0.896 249 L HN 0.352 nan 8.230 nan 0.000 0.432 250 A N 0.575 123.389 122.820 -0.010 0.000 1.877 250 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 250 A C 2.434 180.039 177.584 0.035 0.000 1.186 250 A CA 1.795 53.842 52.037 0.017 0.000 0.620 250 A CB -1.294 17.725 19.000 0.032 0.000 0.822 250 A HN 0.438 nan 8.150 nan 0.000 0.443 251 G N -0.214 108.655 108.800 0.115 0.000 2.442 251 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 251 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 251 G C 1.455 176.382 174.900 0.044 0.000 1.141 251 G CA 1.025 46.120 45.100 -0.008 0.000 0.763 251 G HN 0.451 nan 8.290 nan 0.000 0.554 252 L N 0.436 121.715 121.223 0.095 0.000 2.465 252 L HA 0.156 4.496 4.340 -0.000 0.000 0.224 252 L C 2.175 179.049 176.870 0.006 0.000 1.145 252 L CA 0.509 55.317 54.840 -0.054 0.000 0.834 252 L CB -0.343 41.511 42.059 -0.342 0.000 0.944 252 L HN 0.408 nan 8.230 nan 0.000 0.451 253 G N 0.644 109.448 108.800 0.008 0.000 2.160 253 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 253 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 253 G C 0.129 175.021 174.900 -0.015 0.000 1.008 253 G CA -0.069 45.036 45.100 0.008 0.000 0.724 253 G HN 0.248 nan 8.290 nan 0.000 0.514 254 L N 0.328 121.523 121.223 -0.046 0.000 2.334 254 L HA 0.464 4.804 4.340 -0.000 0.000 0.277 254 L C 0.163 177.014 176.870 -0.032 0.000 1.075 254 L CA -0.933 53.877 54.840 -0.050 0.000 0.804 254 L CB 1.164 43.169 42.059 -0.091 0.000 1.174 254 L HN 0.090 nan 8.230 nan 0.000 0.438 255 D N 1.644 122.035 120.400 -0.015 0.000 2.339 255 D HA 0.248 4.888 4.640 -0.000 0.000 0.241 255 D C 0.730 177.035 176.300 0.009 0.000 1.183 255 D CA -0.159 53.840 54.000 -0.001 0.000 0.859 255 D CB 1.979 42.782 40.800 0.005 0.000 1.067 255 D HN 0.594 nan 8.370 nan 0.000 0.484 256 A N 4.094 126.923 122.820 0.016 0.000 1.978 256 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 256 A C 2.059 179.675 177.584 0.053 0.000 1.170 256 A CA 1.828 53.892 52.037 0.046 0.000 0.636 256 A CB -0.510 18.527 19.000 0.061 0.000 0.810 256 A HN 0.656 nan 8.150 nan 0.000 0.448 257 A N -0.800 122.043 122.820 0.037 0.000 2.125 257 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 257 A C 1.661 179.265 177.584 0.033 0.000 1.156 257 A CA 1.511 53.568 52.037 0.034 0.000 0.671 257 A CB -0.198 18.817 19.000 0.024 0.000 0.794 257 A HN 0.437 nan 8.150 nan 0.000 0.459 258 E N -0.771 119.448 120.200 0.032 0.000 2.481 258 E HA 0.262 4.612 4.350 -0.000 0.000 0.198 258 E C -0.040 176.585 176.600 0.041 0.000 1.027 258 E CA 0.077 56.495 56.400 0.030 0.000 0.900 258 E CB 0.173 29.885 29.700 0.020 0.000 0.993 258 E HN 0.572 nan 8.360 nan 0.000 0.482 259 L N 1.232 122.489 121.223 0.057 0.000 2.322 259 L HA 0.450 4.790 4.340 -0.000 0.000 0.269 259 L C -2.249 174.680 176.870 0.098 0.000 1.012 259 L CA -2.300 52.589 54.840 0.082 0.000 0.815 259 L CB 0.902 43.025 42.059 0.106 0.000 1.295 259 L HN -0.260 nan 8.230 nan 0.000 0.438 260 P HA 0.176 nan 4.420 nan 0.000 0.269 260 P C -2.513 174.870 177.300 0.139 0.000 1.215 260 P CA -0.938 62.232 63.100 0.116 0.000 0.780 260 P CB -0.310 31.475 31.700 0.142 0.000 0.898 261 P HA -0.002 nan 4.420 nan 0.000 0.267 261 P C 0.925 178.284 177.300 0.099 0.000 1.200 261 P CA -0.032 63.118 63.100 0.084 0.000 0.772 261 P CB 0.390 32.113 31.700 0.037 0.000 0.855 262 Q N 2.072 121.855 119.800 -0.028 0.000 2.152 262 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 262 Q C 0.323 176.452 176.000 0.215 0.000 0.985 262 Q CA 1.584 57.264 55.803 -0.205 0.000 0.863 262 Q CB -0.062 28.164 28.738 -0.853 0.000 0.904 262 Q HN 0.402 nan 8.270 nan 0.000 0.422 263 N N 0.997 119.773 118.700 0.126 0.000 2.282 263 N HA 0.030 4.770 4.740 -0.000 0.000 0.240 263 N C -1.180 174.285 175.510 -0.075 0.000 1.182 263 N CA 0.036 53.190 53.050 0.173 0.000 0.874 263 N CB 0.624 39.142 38.487 0.051 0.000 1.126 263 N HN 0.151 nan 8.380 nan 0.000 0.516 264 D N 1.029 121.391 120.400 -0.063 0.000 2.453 264 D HA 0.152 4.792 4.640 -0.000 0.000 0.223 264 D C 1.124 177.171 176.300 -0.422 0.000 1.183 264 D CA -0.213 53.681 54.000 -0.176 0.000 0.933 264 D CB 0.491 41.258 40.800 -0.055 0.000 1.038 264 D HN 0.002 nan 8.370 nan 0.000 0.513 265 R N 2.482 122.540 120.500 -0.738 0.000 2.152 265 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 265 R C 1.836 177.861 176.300 -0.459 0.000 1.117 265 R CA 1.061 56.466 56.100 -1.158 0.000 0.981 265 R CB 0.001 29.635 30.300 -1.111 0.000 0.870 265 R HN 0.434 nan 8.270 nan 0.000 0.451 266 A N 1.049 123.709 122.820 -0.268 0.000 2.070 266 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 266 A C 1.700 179.264 177.584 -0.034 0.000 1.159 266 A CA 1.118 53.084 52.037 -0.119 0.000 0.656 266 A CB -0.089 18.854 19.000 -0.094 0.000 0.800 266 A HN 0.217 nan 8.150 nan 0.000 0.453 267 R N -2.486 118.011 120.500 -0.005 0.000 2.509 267 R HA 0.061 4.401 4.340 -0.000 0.000 0.300 267 R C 0.846 177.284 176.300 0.230 0.000 0.985 267 R CA -0.423 55.731 56.100 0.091 0.000 1.092 267 R CB 0.050 30.398 30.300 0.079 0.000 1.237 267 R HN 0.586 nan 8.270 nan 0.000 0.546 268 W N 1.807 123.121 121.300 0.022 0.000 2.338 268 W HA -0.033 4.627 4.660 -0.000 0.000 0.304 268 W C -0.965 175.575 176.519 0.036 0.000 1.212 268 W CA 0.883 58.246 57.345 0.030 0.000 1.264 268 W CB -1.602 27.858 29.460 -0.001 0.000 1.142 268 W HN 0.056 nan 8.180 nan 0.000 0.512 269 P HA -0.207 nan 4.420 nan 0.000 0.215 269 P C 1.509 178.880 177.300 0.119 0.000 1.153 269 P CA 2.396 65.576 63.100 0.134 0.000 0.853 269 P CB -0.142 31.616 31.700 0.097 0.000 0.788 270 E N -0.571 119.703 120.200 0.124 0.000 2.047 270 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 270 E C 1.871 178.543 176.600 0.121 0.000 0.987 270 E CA 0.825 57.288 56.400 0.105 0.000 0.799 270 E CB -0.553 29.203 29.700 0.094 0.000 0.752 270 E HN -0.013 nan 8.360 nan 0.000 0.449 271 L N 1.700 123.021 121.223 0.164 0.000 2.012 271 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 271 L C 2.571 179.533 176.870 0.154 0.000 1.073 271 L CA 2.001 56.945 54.840 0.175 0.000 0.748 271 L CB -0.620 41.587 42.059 0.247 0.000 0.891 271 L HN 0.052 nan 8.230 nan 0.000 0.431 272 R N -0.701 119.888 120.500 0.149 0.000 2.105 272 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 272 R C 2.132 178.549 176.300 0.196 0.000 1.135 272 R CA 1.366 57.577 56.100 0.185 0.000 0.967 272 R CB -0.370 29.988 30.300 0.097 0.000 0.861 272 R HN 0.526 nan 8.270 nan 0.000 0.442 273 A N 0.947 123.845 122.820 0.130 0.000 1.902 273 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 273 A C 2.162 179.801 177.584 0.092 0.000 1.181 273 A CA 1.216 53.316 52.037 0.106 0.000 0.623 273 A CB -0.470 18.576 19.000 0.077 0.000 0.818 273 A HN 0.342 nan 8.150 nan 0.000 0.443 274 L N -0.710 120.558 121.223 0.075 0.000 2.056 274 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 274 L C 2.502 179.363 176.870 -0.015 0.000 1.078 274 L CA 0.968 55.827 54.840 0.032 0.000 0.749 274 L CB -0.477 41.600 42.059 0.030 0.000 0.901 274 L HN 0.363 nan 8.230 nan 0.000 0.433 275 L N -1.151 120.068 121.223 -0.006 0.000 2.093 275 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 275 L C 2.595 179.420 176.870 -0.074 0.000 1.085 275 L CA 1.181 55.925 54.840 -0.160 0.000 0.755 275 L CB -0.943 40.983 42.059 -0.221 0.000 0.904 275 L HN 0.228 nan 8.230 nan 0.000 0.435 276 T N -0.710 113.969 114.554 0.209 0.000 2.684 276 T HA -0.260 4.090 4.350 -0.000 0.000 0.267 276 T C 1.797 176.595 174.700 0.164 0.000 1.036 276 T CA 1.726 64.023 62.100 0.328 0.000 1.148 276 T CB -0.138 68.898 68.868 0.280 0.000 0.863 276 T HN 0.399 nan 8.240 nan 0.000 0.436 277 E N 0.736 120.982 120.200 0.078 0.000 2.077 277 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 277 E C 2.368 178.968 176.600 0.000 0.000 0.989 277 E CA 1.073 57.495 56.400 0.038 0.000 0.800 277 E CB -0.204 29.507 29.700 0.018 0.000 0.746 277 E HN 0.473 nan 8.360 nan 0.000 0.452 278 A N 0.482 123.246 122.820 -0.094 0.000 1.845 278 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 278 A C 1.913 179.381 177.584 -0.194 0.000 1.195 278 A CA 1.381 53.296 52.037 -0.204 0.000 0.616 278 A CB -0.990 17.746 19.000 -0.441 0.000 0.832 278 A HN 0.355 nan 8.150 nan 0.000 0.443 279 F N 0.275 120.104 119.950 -0.202 0.000 2.216 279 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 279 F C 2.664 178.598 175.800 0.224 0.000 1.085 279 F CA 0.782 58.670 58.000 -0.186 0.000 1.326 279 F CB -0.467 38.343 39.000 -0.318 0.000 1.027 279 F HN 0.249 nan 8.300 nan 0.000 0.497 280 A N -0.548 122.443 122.820 0.285 0.000 2.168 280 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 280 A C 2.224 179.886 177.584 0.129 0.000 1.152 280 A CA 1.330 53.489 52.037 0.204 0.000 0.716 280 A CB -0.951 18.125 19.000 0.127 0.000 0.794 280 A HN 0.369 nan 8.150 nan 0.000 0.465 281 S N -1.085 114.685 115.700 0.116 0.000 2.489 281 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 281 S C 0.684 174.995 174.600 -0.482 0.000 0.995 281 S CA 0.146 58.254 58.200 -0.154 0.000 0.934 281 S CB -0.223 62.866 63.200 -0.185 0.000 0.771 281 S HN 0.609 nan 8.310 nan 0.000 0.522 282 H N 1.003 120.120 119.070 0.078 0.000 2.985 282 H HA 0.412 4.968 4.556 -0.000 0.000 0.360 282 H C -1.227 174.055 175.328 -0.076 0.000 1.221 282 H CA -0.734 55.143 56.048 -0.286 0.000 1.121 282 H CB 1.257 30.312 29.762 -1.179 0.000 1.854 282 H HN 0.366 nan 8.280 nan 0.000 0.551 283 D N -0.431 119.961 120.400 -0.013 0.000 2.360 283 D HA 0.023 4.663 4.640 -0.000 0.000 0.242 283 D C 1.322 177.693 176.300 0.119 0.000 1.184 283 D CA -0.554 53.476 54.000 0.051 0.000 0.930 283 D CB 1.337 42.143 40.800 0.011 0.000 1.161 283 D HN 0.497 nan 8.370 nan 0.000 0.447 284 R N 0.045 120.640 120.500 0.159 0.000 2.091 284 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 284 R C 0.682 177.090 176.300 0.179 0.000 1.136 284 R CA 1.707 57.944 56.100 0.230 0.000 0.959 284 R CB -0.255 30.112 30.300 0.112 0.000 0.856 284 R HN 0.494 nan 8.270 nan 0.000 0.437 285 D N -0.631 119.815 120.400 0.076 0.000 2.264 285 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 285 D C 1.714 178.009 176.300 -0.008 0.000 0.966 285 D CA 0.792 54.814 54.000 0.036 0.000 0.864 285 D CB -0.401 40.398 40.800 -0.001 0.000 0.933 285 D HN 0.407 nan 8.370 nan 0.000 0.499 286 H N -0.597 118.363 119.070 -0.184 0.000 2.290 286 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 286 H C 1.751 176.873 175.328 -0.344 0.000 1.087 286 H CA 1.586 57.398 56.048 -0.393 0.000 1.291 286 H CB -0.372 28.988 29.762 -0.670 0.000 1.369 286 H HN 0.283 nan 8.280 nan 0.000 0.492 287 W N 0.637 122.092 121.300 0.259 0.000 2.388 287 W HA -0.017 4.643 4.660 -0.000 0.000 0.294 287 W C 2.974 179.631 176.519 0.231 0.000 1.212 287 W CA 0.510 58.042 57.345 0.312 0.000 1.271 287 W CB -0.603 29.179 29.460 0.537 0.000 1.126 287 W HN 0.275 nan 8.180 nan 0.000 0.535 288 G N 0.753 109.750 108.800 0.328 0.000 2.469 288 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 288 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 288 G C 1.616 176.569 174.900 0.087 0.000 1.136 288 G CA 1.596 46.807 45.100 0.185 0.000 0.759 288 G HN 0.339 nan 8.290 nan 0.000 0.562 289 A N -0.152 122.653 122.820 -0.026 0.000 1.874 289 A HA 0.226 4.546 4.320 -0.000 0.000 0.214 289 A C 2.582 180.072 177.584 -0.157 0.000 1.189 289 A CA 1.500 53.468 52.037 -0.115 0.000 0.615 289 A CB -0.557 18.319 19.000 -0.207 0.000 0.830 289 A HN 0.230 nan 8.150 nan 0.000 0.443 290 V N -1.258 118.499 119.914 -0.261 0.000 2.332 290 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 290 V C 1.878 177.742 176.094 -0.382 0.000 1.055 290 V CA 1.905 63.961 62.300 -0.406 0.000 1.038 290 V CB -0.798 30.701 31.823 -0.541 0.000 0.651 290 V HN 0.599 nan 8.190 nan 0.000 0.450 291 F N -0.700 119.301 119.950 0.086 0.000 2.664 291 F HA 0.420 4.947 4.527 -0.000 0.000 0.303 291 F C 1.979 177.788 175.800 0.015 0.000 1.092 291 F CA 0.355 58.394 58.000 0.064 0.000 1.305 291 F CB -0.234 38.831 39.000 0.109 0.000 1.054 291 F HN 0.034 nan 8.300 nan 0.000 0.565 292 A N 1.010 123.901 122.820 0.119 0.000 1.948 292 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 292 A C 1.539 179.143 177.584 0.034 0.000 1.177 292 A CA 2.335 54.408 52.037 0.060 0.000 0.636 292 A CB -0.608 18.399 19.000 0.012 0.000 0.815 292 A HN 0.508 nan 8.150 nan 0.000 0.449 293 N N -1.370 117.348 118.700 0.030 0.000 2.171 293 N HA 0.127 4.867 4.740 -0.000 0.000 0.212 293 N C 0.351 175.871 175.510 0.017 0.000 1.184 293 N CA 0.478 53.533 53.050 0.009 0.000 0.888 293 N CB 0.673 39.159 38.487 -0.001 0.000 1.038 293 N HN 0.458 nan 8.380 nan 0.000 0.517 294 S N -0.503 115.232 115.700 0.058 0.000 2.707 294 S HA 0.279 4.749 4.470 -0.000 0.000 0.276 294 S C 0.145 174.751 174.600 0.011 0.000 1.179 294 S CA -0.588 57.651 58.200 0.065 0.000 0.992 294 S CB 1.197 64.481 63.200 0.140 0.000 1.030 294 S HN -0.095 nan 8.310 nan 0.000 0.554 295 D N 0.520 120.914 120.400 -0.010 0.000 2.336 295 D HA 0.331 4.970 4.640 -0.000 0.000 0.228 295 D C 1.489 177.689 176.300 -0.166 0.000 1.120 295 D CA 0.308 54.204 54.000 -0.172 0.000 0.839 295 D CB -0.181 40.529 40.800 -0.151 0.000 0.932 295 D HN 0.638 nan 8.370 nan 0.000 0.509 296 A N -0.420 122.393 122.820 -0.011 0.000 2.216 296 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 296 A C 1.467 178.970 177.584 -0.136 0.000 1.160 296 A CA 0.159 52.181 52.037 -0.025 0.000 0.725 296 A CB -0.601 18.390 19.000 -0.015 0.000 0.784 296 A HN 0.416 nan 8.150 nan 0.000 0.472 297 C N -1.363 117.827 119.300 -0.183 0.000 4.350 297 C HA -0.100 4.360 4.460 -0.000 0.000 0.302 297 C C 0.342 175.212 174.990 -0.201 0.000 1.390 297 C CA 0.168 59.085 59.018 -0.169 0.000 2.016 297 C CB -3.318 24.371 27.740 -0.084 0.000 1.271 297 C HN 0.413 nan 8.230 nan 0.000 0.760 298 V N 1.043 120.794 119.914 -0.272 0.000 2.409 298 V HA 0.766 4.886 4.120 -0.000 0.000 0.291 298 V C 0.427 176.442 176.094 -0.132 0.000 1.020 298 V CA 0.340 62.437 62.300 -0.339 0.000 0.848 298 V CB 2.230 33.565 31.823 -0.814 0.000 0.990 298 V HN 0.591 nan 8.190 nan 0.000 0.430 299 T N 3.389 117.878 114.554 -0.109 0.000 2.900 299 T HA 0.656 5.006 4.350 -0.000 0.000 0.295 299 T C -3.084 171.608 174.700 -0.014 0.000 1.044 299 T CA -2.341 59.739 62.100 -0.034 0.000 0.995 299 T CB 2.440 71.274 68.868 -0.058 0.000 1.072 299 T HN 0.424 nan 8.240 nan 0.000 0.473 300 P HA 0.240 nan 4.420 nan 0.000 0.271 300 P C -0.438 176.864 177.300 0.003 0.000 1.216 300 P CA -0.388 62.736 63.100 0.041 0.000 0.771 300 P CB 0.688 32.420 31.700 0.053 0.000 0.864 301 V N 5.275 125.199 119.914 0.016 0.000 2.372 301 V HA 0.108 4.228 4.120 -0.000 0.000 0.261 301 V C 0.794 176.883 176.094 -0.008 0.000 1.055 301 V CA -0.116 62.182 62.300 -0.004 0.000 0.930 301 V CB -0.207 31.635 31.823 0.032 0.000 1.031 301 V HN 0.376 nan 8.190 nan 0.000 0.479 302 L N 4.474 125.666 121.223 -0.051 0.000 2.334 302 L HA 0.688 5.028 4.340 -0.000 0.000 0.277 302 L C 0.735 177.527 176.870 -0.130 0.000 1.075 302 L CA -0.303 54.495 54.840 -0.069 0.000 0.804 302 L CB 1.404 43.420 42.059 -0.071 0.000 1.174 302 L HN 0.667 nan 8.230 nan 0.000 0.438 303 A N 2.192 124.944 122.820 -0.113 0.000 2.304 303 A HA 0.377 4.697 4.320 -0.000 0.000 0.271 303 A C 0.824 178.321 177.584 -0.144 0.000 1.091 303 A CA -0.272 51.659 52.037 -0.177 0.000 0.812 303 A CB 0.138 19.101 19.000 -0.063 0.000 1.056 303 A HN 0.715 nan 8.150 nan 0.000 0.489 304 F N 1.417 121.355 119.950 -0.021 0.000 2.085 304 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 304 F C 2.530 178.290 175.800 -0.066 0.000 1.096 304 F CA 1.917 59.886 58.000 -0.053 0.000 1.227 304 F CB -0.462 38.521 39.000 -0.029 0.000 0.983 304 F HN 0.677 nan 8.300 nan 0.000 0.482 305 G N -0.721 108.183 108.800 0.172 0.000 2.498 305 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 305 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 305 G C 1.343 176.312 174.900 0.115 0.000 1.119 305 G CA 0.695 45.876 45.100 0.136 0.000 0.766 305 G HN 0.411 nan 8.290 nan 0.000 0.552 306 E N -0.221 119.984 120.200 0.009 0.000 2.400 306 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 306 E C 2.440 178.913 176.600 -0.212 0.000 1.012 306 E CA -0.166 56.174 56.400 -0.099 0.000 0.875 306 E CB 0.316 29.967 29.700 -0.082 0.000 0.859 306 E HN 0.280 nan 8.360 nan 0.000 0.498 307 V N 2.779 122.589 119.914 -0.174 0.000 2.392 307 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 307 V C 2.460 178.330 176.094 -0.374 0.000 1.059 307 V CA 2.166 64.323 62.300 -0.239 0.000 1.051 307 V CB -0.871 30.797 31.823 -0.258 0.000 0.658 307 V HN 0.520 nan 8.190 nan 0.000 0.455 308 H N -0.499 118.213 119.070 -0.597 0.000 2.561 308 H HA -0.019 4.537 4.556 -0.000 0.000 0.278 308 H C 1.369 176.425 175.328 -0.453 0.000 1.014 308 H CA 1.220 56.765 56.048 -0.839 0.000 1.211 308 H CB -0.333 28.475 29.762 -1.591 0.000 1.365 308 H HN 0.405 nan 8.280 nan 0.000 0.594 309 N N 0.807 119.030 118.700 -0.795 0.000 2.280 309 N HA -0.030 4.710 4.740 -0.000 0.000 0.192 309 N C 0.017 175.379 175.510 -0.247 0.000 1.109 309 N CA 0.144 52.896 53.050 -0.498 0.000 0.855 309 N CB 0.426 38.626 38.487 -0.477 0.000 0.974 309 N HN 0.420 nan 8.380 nan 0.000 0.482 310 E N 1.439 121.519 120.200 -0.201 0.000 2.223 310 E HA 0.165 4.515 4.350 -0.000 0.000 0.282 310 E C -1.697 174.877 176.600 -0.044 0.000 1.046 310 E CA -1.963 54.383 56.400 -0.091 0.000 0.857 310 E CB 1.287 30.955 29.700 -0.054 0.000 1.055 310 E HN -0.013 nan 8.360 nan 0.000 0.409 311 P HA -0.192 nan 4.420 nan 0.000 0.216 311 P C 0.689 178.013 177.300 0.041 0.000 1.153 311 P CA 1.381 64.486 63.100 0.008 0.000 0.858 311 P CB 0.041 31.752 31.700 0.018 0.000 0.789 312 H N -0.762 118.301 119.070 -0.011 0.000 2.387 312 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 312 H C 1.810 177.148 175.328 0.016 0.000 1.090 312 H CA 1.303 57.352 56.048 0.002 0.000 1.332 312 H CB -0.607 29.156 29.762 0.001 0.000 1.386 312 H HN -0.062 nan 8.280 nan 0.000 0.516 313 I N 0.083 120.672 120.570 0.032 0.000 2.202 313 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 313 I C 2.363 178.477 176.117 -0.004 0.000 1.091 313 I CA 1.101 62.420 61.300 0.031 0.000 1.368 313 I CB -0.955 37.093 38.000 0.080 0.000 1.058 313 I HN 0.335 nan 8.210 nan 0.000 0.410 314 I N 0.844 121.397 120.570 -0.028 0.000 2.179 314 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 314 I C 2.450 178.564 176.117 -0.005 0.000 1.088 314 I CA 1.510 62.803 61.300 -0.012 0.000 1.357 314 I CB -0.377 37.611 38.000 -0.020 0.000 1.051 314 I HN 0.246 nan 8.210 nan 0.000 0.409 315 E N 0.325 120.497 120.200 -0.046 0.000 2.208 315 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 315 E C 2.033 178.589 176.600 -0.073 0.000 0.988 315 E CA 0.642 57.013 56.400 -0.048 0.000 0.828 315 E CB 0.028 29.700 29.700 -0.048 0.000 0.763 315 E HN 0.430 nan 8.360 nan 0.000 0.478 316 R N 0.563 120.980 120.500 -0.138 0.000 2.317 316 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 316 R C -0.029 176.243 176.300 -0.047 0.000 0.914 316 R CA -0.047 55.974 56.100 -0.132 0.000 1.060 316 R CB 0.185 30.331 30.300 -0.258 0.000 1.015 316 R HN 0.093 nan 8.270 nan 0.000 0.498 317 N N 0.939 119.645 118.700 0.009 0.000 2.725 317 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 317 N C 0.130 175.680 175.510 0.066 0.000 1.031 317 N CA 1.025 54.126 53.050 0.084 0.000 0.720 317 N CB -0.948 37.592 38.487 0.088 0.000 0.930 317 N HN 0.215 nan 8.380 nan 0.000 0.543 318 T N -1.119 113.451 114.554 0.027 0.000 2.915 318 T HA -0.024 4.326 4.350 -0.000 0.000 0.269 318 T C 0.538 175.038 174.700 -0.334 0.000 1.071 318 T CA 1.138 63.157 62.100 -0.136 0.000 1.132 318 T CB 0.018 68.808 68.868 -0.130 0.000 0.878 318 T HN 0.306 nan 8.240 nan 0.000 0.479 319 F N -0.057 119.996 119.950 0.172 0.000 2.593 319 F HA 0.568 5.095 4.527 -0.000 0.000 0.320 319 F C -0.438 175.654 175.800 0.486 0.000 1.060 319 F CA -1.869 56.305 58.000 0.291 0.000 0.940 319 F CB 1.525 40.683 39.000 0.263 0.000 1.268 319 F HN 0.052 nan 8.300 nan 0.000 0.475 320 Y N -1.702 118.915 120.300 0.529 0.000 2.602 320 Y HA 0.650 5.200 4.550 -0.000 0.000 0.342 320 Y C -1.027 174.920 175.900 0.078 0.000 1.029 320 Y CA -1.391 56.896 58.100 0.312 0.000 1.080 320 Y CB 1.058 39.594 38.460 0.127 0.000 1.284 320 Y HN 0.507 nan 8.280 nan 0.000 0.485 321 E N 1.571 121.581 120.200 -0.317 0.000 2.130 321 E HA 0.419 4.769 4.350 -0.000 0.000 0.284 321 E C -0.130 176.294 176.600 -0.292 0.000 1.018 321 E CA -0.165 55.802 56.400 -0.722 0.000 0.817 321 E CB 1.677 30.859 29.700 -0.864 0.000 1.078 321 E HN 0.878 nan 8.360 nan 0.000 0.396 322 A N 4.746 127.358 122.820 -0.347 0.000 1.865 322 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 322 A C 0.356 177.876 177.584 -0.107 0.000 1.315 322 A CA 0.753 52.730 52.037 -0.100 0.000 0.605 322 A CB 0.046 18.969 19.000 -0.127 0.000 0.984 322 A HN 0.718 nan 8.150 nan 0.000 0.470 323 N N -3.364 115.246 118.700 -0.151 0.000 3.127 323 N HA 0.397 5.137 4.740 -0.000 0.000 0.239 323 N C -0.078 175.354 175.510 -0.131 0.000 1.200 323 N CA 0.239 53.211 53.050 -0.130 0.000 0.924 323 N CB 0.134 38.577 38.487 -0.073 0.000 1.583 323 N HN 1.473 nan 8.380 nan 0.000 0.645 324 G N -0.187 108.520 108.800 -0.156 0.000 2.198 324 G HA2 0.351 4.311 3.960 -0.000 0.000 0.260 324 G HA3 0.351 4.311 3.960 -0.000 0.000 0.260 324 G C 0.358 175.167 174.900 -0.151 0.000 1.025 324 G CA 0.546 45.567 45.100 -0.133 0.000 0.769 324 G HN 1.808 nan 8.290 nan 0.000 0.507 325 G N -2.484 106.171 108.800 -0.243 0.000 2.384 325 G HA2 0.447 4.407 3.960 -0.000 0.000 0.300 325 G HA3 0.447 4.407 3.960 -0.000 0.000 0.300 325 G C -0.621 174.072 174.900 -0.344 0.000 1.582 325 G CA -0.501 44.463 45.100 -0.227 0.000 0.875 325 G HN 0.640 nan 8.290 nan 0.000 0.628 326 W N 0.666 121.844 121.300 -0.204 0.000 2.261 326 W HA 0.644 5.304 4.660 -0.000 0.000 0.323 326 W C 0.383 176.797 176.519 -0.175 0.000 1.243 326 W CA -0.058 57.163 57.345 -0.207 0.000 1.210 326 W CB 1.181 30.492 29.460 -0.249 0.000 1.149 326 W HN 0.314 nan 8.180 nan 0.000 0.562 327 Q N 3.274 123.055 119.800 -0.032 0.000 2.389 327 Q HA 0.363 4.703 4.340 -0.000 0.000 0.277 327 Q C -2.491 173.584 176.000 0.125 0.000 1.082 327 Q CA -2.371 53.390 55.803 -0.071 0.000 0.810 327 Q CB 1.808 30.262 28.738 -0.474 0.000 1.374 327 Q HN 0.130 nan 8.270 nan 0.000 0.422 328 P HA 0.114 nan 4.420 nan 0.000 0.276 328 P C -0.178 177.178 177.300 0.094 0.000 1.235 328 P CA -0.229 62.752 63.100 -0.198 0.000 0.772 328 P CB 0.558 32.123 31.700 -0.225 0.000 0.871 329 M N 4.272 123.925 119.600 0.089 0.000 2.240 329 M HA 0.168 4.648 4.480 -0.000 0.000 0.317 329 M C -1.836 174.479 176.300 0.025 0.000 1.087 329 M CA -1.558 53.826 55.300 0.140 0.000 1.176 329 M CB -1.199 31.453 32.600 0.088 0.000 1.439 329 M HN 0.193 nan 8.290 nan 0.000 0.452 330 P HA 0.164 nan 4.420 nan 0.000 0.265 330 P C -1.277 176.024 177.300 0.001 0.000 1.187 330 P CA 0.129 63.237 63.100 0.013 0.000 0.766 330 P CB 0.468 32.186 31.700 0.030 0.000 0.820 331 A N 3.503 126.322 122.820 -0.002 0.000 2.454 331 A HA 0.776 5.096 4.320 -0.000 0.000 0.302 331 A C -2.404 175.178 177.584 -0.003 0.000 1.079 331 A CA -1.246 50.773 52.037 -0.031 0.000 0.731 331 A CB 0.631 19.600 19.000 -0.052 0.000 1.299 331 A HN 0.402 nan 8.150 nan 0.000 0.413 332 P HA 0.476 nan 4.420 nan 0.000 0.307 332 P C -0.814 176.261 177.300 -0.375 0.000 1.306 332 P CA -0.394 62.564 63.100 -0.237 0.000 0.742 332 P CB 0.586 32.089 31.700 -0.329 0.000 1.349 333 R N -1.248 118.972 120.500 -0.466 0.000 2.664 333 R HA 0.610 4.950 4.340 -0.000 0.000 0.286 333 R C -0.810 175.127 176.300 -0.605 0.000 0.967 333 R CA -0.462 55.425 56.100 -0.354 0.000 0.933 333 R CB 0.973 31.181 30.300 -0.153 0.000 1.146 333 R HN 0.352 nan 8.270 nan 0.000 0.468 334 F N -0.010 119.930 119.950 -0.017 0.000 2.507 334 F HA 0.168 4.695 4.527 -0.000 0.000 0.325 334 F C 1.487 177.281 175.800 -0.011 0.000 1.116 334 F CA -0.682 57.310 58.000 -0.014 0.000 0.930 334 F CB 2.156 41.147 39.000 -0.015 0.000 1.146 334 F HN 0.602 nan 8.300 nan 0.000 0.447 335 S N 2.073 117.848 115.700 0.126 0.000 2.402 335 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 335 S C 1.851 176.498 174.600 0.078 0.000 1.021 335 S CA 1.244 59.489 58.200 0.075 0.000 0.974 335 S CB -0.092 63.135 63.200 0.044 0.000 0.800 335 S HN 0.781 nan 8.310 nan 0.000 0.484 336 R N 1.275 121.834 120.500 0.097 0.000 2.140 336 R HA 0.087 4.427 4.340 -0.000 0.000 0.200 336 R C 0.179 176.507 176.300 0.046 0.000 1.069 336 R CA 1.225 57.360 56.100 0.059 0.000 1.088 336 R CB 0.085 30.412 30.300 0.046 0.000 1.012 336 R HN 0.510 nan 8.270 nan 0.000 0.500 337 T N -0.357 114.226 114.554 0.048 0.000 3.355 337 T HA 0.641 4.991 4.350 -0.000 0.000 0.376 337 T C -0.223 174.485 174.700 0.013 0.000 1.683 337 T CA -0.678 61.416 62.100 -0.010 0.000 1.269 337 T CB 1.208 70.024 68.868 -0.087 0.000 1.158 337 T HN 0.271 nan 8.240 nan 0.000 0.703 338 A N 2.625 125.478 122.820 0.056 0.000 2.388 338 A HA 0.615 4.935 4.320 -0.000 0.000 0.257 338 A C 0.743 178.354 177.584 0.045 0.000 1.095 338 A CA -0.588 51.507 52.037 0.098 0.000 0.791 338 A CB 0.187 19.229 19.000 0.070 0.000 1.029 338 A HN 0.717 nan 8.150 nan 0.000 0.489 339 S N 1.140 116.887 115.700 0.078 0.000 2.576 339 S HA 0.313 4.783 4.470 -0.000 0.000 0.276 339 S C 0.756 175.352 174.600 -0.007 0.000 1.339 339 S CA -0.376 57.838 58.200 0.023 0.000 1.039 339 S CB 0.623 63.857 63.200 0.057 0.000 0.902 339 S HN 0.769 nan 8.310 nan 0.000 0.516 340 S N 1.612 117.289 115.700 -0.038 0.000 2.632 340 S HA 0.199 4.669 4.470 -0.000 0.000 0.267 340 S C 0.176 174.710 174.600 -0.110 0.000 1.276 340 S CA -0.709 57.454 58.200 -0.062 0.000 0.998 340 S CB 0.511 63.674 63.200 -0.063 0.000 0.953 340 S HN 0.743 nan 8.310 nan 0.000 0.547 341 Q N 1.294 121.002 119.800 -0.154 0.000 2.330 341 Q HA 0.090 4.430 4.340 -0.000 0.000 0.279 341 Q C -2.378 173.435 176.000 -0.311 0.000 1.024 341 Q CA -1.259 54.359 55.803 -0.308 0.000 0.900 341 Q CB 0.075 28.622 28.738 -0.319 0.000 1.221 341 Q HN 0.216 nan 8.270 nan 0.000 0.396 342 P HA -0.049 nan 4.420 nan 0.000 0.264 342 P C -1.118 176.086 177.300 -0.159 0.000 1.183 342 P CA 0.506 63.474 63.100 -0.220 0.000 0.763 342 P CB 0.463 32.075 31.700 -0.148 0.000 0.807 343 R N 5.008 125.461 120.500 -0.078 0.000 2.389 343 R HA 0.220 4.560 4.340 -0.000 0.000 0.295 343 R C -1.832 174.464 176.300 -0.006 0.000 1.075 343 R CA -1.438 54.636 56.100 -0.042 0.000 1.005 343 R CB -0.224 30.058 30.300 -0.030 0.000 0.987 343 R HN 0.438 nan 8.270 nan 0.000 0.452 344 P HA 0.086 nan 4.420 nan 0.000 0.272 344 P C -2.489 174.822 177.300 0.018 0.000 1.240 344 P CA -1.445 61.676 63.100 0.034 0.000 0.791 344 P CB -0.213 31.505 31.700 0.030 0.000 0.978 345 P HA 0.124 nan 4.420 nan 0.000 0.262 345 P C -0.470 176.831 177.300 0.002 0.000 1.182 345 P CA 0.756 63.862 63.100 0.010 0.000 0.761 345 P CB 0.061 31.769 31.700 0.012 0.000 0.795 346 A N 2.897 125.715 122.820 -0.004 0.000 2.389 346 A HA 0.800 5.119 4.320 -0.000 0.000 0.293 346 A C -0.328 177.250 177.584 -0.011 0.000 1.186 346 A CA -0.548 51.484 52.037 -0.009 0.000 0.828 346 A CB 0.814 19.807 19.000 -0.013 0.000 1.369 346 A HN 0.532 nan 8.150 nan 0.000 0.446 347 A N -0.074 122.738 122.820 -0.013 0.000 2.507 347 A HA 0.470 4.790 4.320 -0.000 0.000 0.235 347 A C 0.699 178.271 177.584 -0.020 0.000 1.070 347 A CA 0.562 52.590 52.037 -0.015 0.000 0.768 347 A CB -0.677 18.314 19.000 -0.015 0.000 1.011 347 A HN 0.893 nan 8.150 nan 0.000 0.502 348 T N 1.588 116.130 114.554 -0.019 0.000 2.908 348 T HA 0.350 4.700 4.350 -0.000 0.000 0.301 348 T C 0.431 175.113 174.700 -0.031 0.000 1.019 348 T CA 1.211 63.297 62.100 -0.025 0.000 1.152 348 T CB -0.585 68.271 68.868 -0.019 0.000 0.966 348 T HN 0.619 nan 8.240 nan 0.000 0.540 349 I N -0.070 120.474 120.570 -0.044 0.000 2.863 349 I HA 0.661 4.831 4.170 -0.000 0.000 0.311 349 I C -0.230 175.852 176.117 -0.057 0.000 1.026 349 I CA -1.312 59.958 61.300 -0.051 0.000 1.077 349 I CB 1.563 39.526 38.000 -0.062 0.000 1.262 349 I HN 0.266 nan 8.210 nan 0.000 0.461 350 D N 2.457 122.824 120.400 -0.055 0.000 2.383 350 D HA 0.142 4.782 4.640 -0.000 0.000 0.252 350 D C 0.978 177.233 176.300 -0.075 0.000 1.166 350 D CA 0.235 54.203 54.000 -0.054 0.000 0.879 350 D CB 1.023 41.798 40.800 -0.043 0.000 1.164 350 D HN 0.671 nan 8.370 nan 0.000 0.462 351 I N 3.214 123.742 120.570 -0.071 0.000 2.335 351 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 351 I C 1.598 177.660 176.117 -0.091 0.000 1.129 351 I CA 1.183 62.428 61.300 -0.091 0.000 1.402 351 I CB 0.198 38.159 38.000 -0.066 0.000 1.069 351 I HN 0.494 nan 8.210 nan 0.000 0.424 352 E N 0.762 120.925 120.200 -0.062 0.000 2.152 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 352 E C 2.214 178.780 176.600 -0.057 0.000 0.983 352 E CA 1.120 57.491 56.400 -0.048 0.000 0.818 352 E CB -0.175 29.507 29.700 -0.029 0.000 0.758 352 E HN 0.629 nan 8.360 nan 0.000 0.467 353 A N 1.118 123.897 122.820 -0.068 0.000 1.898 353 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 353 A C 2.586 180.104 177.584 -0.110 0.000 1.181 353 A CA 1.183 53.178 52.037 -0.071 0.000 0.620 353 A CB -0.582 18.378 19.000 -0.066 0.000 0.819 353 A HN 0.113 nan 8.150 nan 0.000 0.442 354 V N 0.128 119.935 119.914 -0.178 0.000 2.295 354 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 354 V C 2.554 178.480 176.094 -0.281 0.000 1.049 354 V CA 1.911 64.013 62.300 -0.330 0.000 1.024 354 V CB -0.830 30.711 31.823 -0.470 0.000 0.648 354 V HN 0.571 nan 8.190 nan 0.000 0.447 355 L N -0.252 120.875 121.223 -0.161 0.000 2.043 355 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 355 L C 2.653 179.539 176.870 0.027 0.000 1.075 355 L CA 2.107 56.927 54.840 -0.033 0.000 0.752 355 L CB -0.884 41.167 42.059 -0.012 0.000 0.891 355 L HN 0.386 nan 8.230 nan 0.000 0.432 356 T N -1.234 113.318 114.554 -0.003 0.000 2.746 356 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 356 T C 1.496 176.226 174.700 0.049 0.000 1.039 356 T CA 1.704 63.816 62.100 0.020 0.000 1.142 356 T CB -0.250 68.619 68.868 0.000 0.000 0.866 356 T HN 0.377 nan 8.240 nan 0.000 0.444 357 D N -0.177 120.241 120.400 0.030 0.000 2.104 357 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 357 D C 1.378 177.829 176.300 0.252 0.000 0.994 357 D CA 1.020 55.071 54.000 0.085 0.000 0.830 357 D CB -0.153 40.649 40.800 0.003 0.000 0.959 357 D HN 0.404 nan 8.370 nan 0.000 0.452 358 W N 0.837 122.133 121.300 -0.008 0.000 3.139 358 W HA 0.209 4.869 4.660 -0.000 0.000 0.260 358 W C -0.023 176.492 176.519 -0.006 0.000 1.312 358 W CA 0.453 57.793 57.345 -0.008 0.000 1.606 358 W CB -0.720 28.735 29.460 -0.008 0.000 1.118 358 W HN 0.055 nan 8.180 nan 0.000 0.675 359 D N -1.270 119.248 120.400 0.197 0.000 2.718 359 D HA -0.064 4.576 4.640 -0.000 0.000 0.242 359 D C 0.420 176.780 176.300 0.101 0.000 1.123 359 D CA 1.145 55.211 54.000 0.110 0.000 0.690 359 D CB -1.102 39.741 40.800 0.072 0.000 1.059 359 D HN 0.205 nan 8.370 nan 0.000 0.429 360 G N 0.000 108.871 108.800 0.118 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.160 45.100 0.101 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925