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 1ldy_1_A DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.011 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 T N 1.068 115.600 114.554 -0.036 0.000 3.040 2 T HA 0.698 5.065 4.350 0.029 0.000 0.250 2 T C 0.802 175.463 174.700 -0.065 0.000 1.058 2 T CA 0.617 62.676 62.100 -0.068 0.000 0.988 2 T CB 0.229 69.023 68.868 -0.123 0.000 0.993 2 T HN 0.882 nan 8.240 nan 0.000 0.519 3 A N 1.034 123.829 122.820 -0.042 0.000 2.561 3 A HA 0.479 4.816 4.320 0.029 0.000 0.234 3 A C 1.835 179.395 177.584 -0.040 0.000 1.055 3 A CA 0.420 52.434 52.037 -0.037 0.000 0.756 3 A CB -1.107 17.879 19.000 -0.025 0.000 0.986 3 A HN 1.450 nan 8.150 nan 0.000 0.505 4 G N 1.282 110.057 108.800 -0.043 0.000 2.196 4 G HA2 -0.265 3.712 3.960 0.029 0.000 0.268 4 G HA3 -0.265 3.712 3.960 0.029 0.000 0.268 4 G C 0.251 175.125 174.900 -0.043 0.000 0.975 4 G CA 1.138 46.214 45.100 -0.040 0.000 0.648 4 G HN 0.944 nan 8.290 nan 0.000 0.538 5 K N -0.262 120.106 120.400 -0.054 0.000 2.281 5 K HA 0.666 5.004 4.320 0.029 0.000 0.242 5 K C 0.008 176.567 176.600 -0.069 0.000 0.971 5 K CA -1.073 55.182 56.287 -0.054 0.000 0.834 5 K CB 2.642 35.110 32.500 -0.053 0.000 1.181 5 K HN -0.006 nan 8.250 nan 0.000 0.435 6 V N 2.710 122.590 119.914 -0.056 0.000 2.585 6 V HA 0.097 4.234 4.120 0.029 0.000 0.296 6 V C 0.345 176.391 176.094 -0.080 0.000 1.035 6 V CA 0.125 62.391 62.300 -0.056 0.000 1.084 6 V CB 0.159 31.964 31.823 -0.029 0.000 0.953 6 V HN 0.520 nan 8.190 nan 0.000 0.483 7 I N 5.148 125.651 120.570 -0.111 0.000 2.460 7 I HA 0.441 4.629 4.170 0.029 0.000 0.298 7 I C 0.116 176.192 176.117 -0.068 0.000 0.989 7 I CA -0.683 60.519 61.300 -0.162 0.000 1.173 7 I CB 1.669 39.439 38.000 -0.383 0.000 1.338 7 I HN 0.490 nan 8.210 nan 0.000 0.456 8 K N 5.120 125.497 120.400 -0.039 0.000 2.206 8 K HA 0.655 4.993 4.320 0.029 0.000 0.264 8 K C -1.002 175.633 176.600 0.058 0.000 0.967 8 K CA -0.427 55.876 56.287 0.027 0.000 0.844 8 K CB 1.527 34.045 32.500 0.030 0.000 1.099 8 K HN 0.824 nan 8.250 nan 0.000 0.441 9 C N -0.009 119.362 119.300 0.117 0.000 3.314 9 C HA 0.549 5.027 4.460 0.029 0.000 0.344 9 C C -1.474 173.629 174.990 0.188 0.000 1.461 9 C CA -1.368 57.758 59.018 0.179 0.000 1.249 9 C CB 1.181 29.093 27.740 0.287 0.000 1.632 9 C HN 0.522 nan 8.230 nan 0.000 0.452 10 K N 0.993 121.529 120.400 0.227 0.000 2.118 10 K HA 0.841 5.178 4.320 0.029 0.000 0.267 10 K C -0.174 176.620 176.600 0.324 0.000 0.991 10 K CA 0.237 56.681 56.287 0.263 0.000 0.916 10 K CB 1.710 34.398 32.500 0.314 0.000 1.041 10 K HN 1.297 nan 8.250 nan 0.000 0.455 11 A N 0.510 123.525 122.820 0.326 0.000 2.594 11 A HA 0.648 4.986 4.320 0.029 0.000 0.295 11 A C -1.444 176.315 177.584 0.291 0.000 1.071 11 A CA -0.714 51.519 52.037 0.326 0.000 0.685 11 A CB 1.553 20.590 19.000 0.061 0.000 1.285 11 A HN 0.582 nan 8.150 nan 0.000 0.405 12 A N 1.294 124.322 122.820 0.346 0.000 2.316 12 A HA 0.576 4.913 4.320 0.029 0.000 0.311 12 A C -0.248 177.402 177.584 0.110 0.000 1.339 12 A CA -0.246 51.858 52.037 0.112 0.000 0.960 12 A CB -0.398 18.534 19.000 -0.113 0.000 1.152 12 A HN 1.239 nan 8.150 nan 0.000 0.547 13 V N 3.633 123.552 119.914 0.008 0.000 2.439 13 V HA 0.263 4.400 4.120 0.029 0.000 0.282 13 V C -0.067 175.891 176.094 -0.226 0.000 1.039 13 V CA -0.492 61.662 62.300 -0.242 0.000 0.913 13 V CB 1.345 32.791 31.823 -0.628 0.000 0.983 13 V HN 0.760 nan 8.190 nan 0.000 0.460 14 L N 4.809 125.882 121.223 -0.250 0.000 2.272 14 L HA 0.413 4.770 4.340 0.029 0.000 0.284 14 L C 0.013 176.698 176.870 -0.308 0.000 1.045 14 L CA 0.288 54.964 54.840 -0.274 0.000 0.842 14 L CB 0.573 42.480 42.059 -0.254 0.000 1.224 14 L HN 0.732 nan 8.230 nan 0.000 0.430 15 W N 2.289 123.543 121.300 -0.077 0.000 2.576 15 W HA 0.219 4.897 4.660 0.031 0.000 0.275 15 W C 0.677 177.163 176.519 -0.056 0.000 1.241 15 W CA -0.071 57.248 57.345 -0.042 0.000 1.328 15 W CB 0.411 29.851 29.460 -0.034 0.000 1.092 15 W HN 0.400 nan 8.180 nan 0.000 0.586 16 E N -0.645 119.622 120.200 0.111 0.000 2.413 16 E HA 0.153 4.521 4.350 0.029 0.000 0.277 16 E C -0.962 175.606 176.600 -0.053 0.000 0.958 16 E CA -0.807 55.615 56.400 0.037 0.000 0.779 16 E CB 2.270 31.994 29.700 0.041 0.000 1.278 16 E HN -0.174 nan 8.360 nan 0.000 0.456 17 E N 0.985 121.155 120.200 -0.050 0.000 2.425 17 E HA -0.006 4.362 4.350 0.029 0.000 0.258 17 E C -0.637 175.909 176.600 -0.090 0.000 1.151 17 E CA 0.385 56.736 56.400 -0.081 0.000 0.958 17 E CB 0.346 30.016 29.700 -0.049 0.000 0.968 17 E HN 0.350 nan 8.360 nan 0.000 0.451 18 K N 0.487 120.822 120.400 -0.109 0.000 3.071 18 K HA -0.211 4.127 4.320 0.029 0.000 0.262 18 K C -0.699 175.832 176.600 -0.115 0.000 0.977 18 K CA 0.684 56.912 56.287 -0.098 0.000 0.721 18 K CB -0.803 31.665 32.500 -0.053 0.000 1.293 18 K HN 0.198 nan 8.250 nan 0.000 0.475 19 K N -0.419 119.875 120.400 -0.176 0.000 2.443 19 K HA 0.482 4.820 4.320 0.029 0.000 0.251 19 K C -2.637 173.802 176.600 -0.268 0.000 0.972 19 K CA -2.437 53.755 56.287 -0.158 0.000 0.833 19 K CB 1.342 33.779 32.500 -0.104 0.000 1.317 19 K HN -0.240 nan 8.250 nan 0.000 0.441 20 P HA 0.215 nan 4.420 nan 0.000 0.272 20 P C -0.340 176.816 177.300 -0.241 0.000 1.230 20 P CA -0.238 62.743 63.100 -0.198 0.000 0.788 20 P CB 0.255 31.911 31.700 -0.074 0.000 0.949 21 F N -0.181 119.657 119.950 -0.186 0.000 2.459 21 F HA 0.181 4.726 4.527 0.030 0.000 0.346 21 F C 1.510 177.254 175.800 -0.092 0.000 1.128 21 F CA 0.635 58.528 58.000 -0.179 0.000 1.268 21 F CB 0.432 39.267 39.000 -0.276 0.000 1.161 21 F HN 0.092 nan 8.300 nan 0.000 0.583 22 S N 4.409 120.201 115.700 0.153 0.000 2.461 22 S HA 0.420 4.908 4.470 0.029 0.000 0.322 22 S C -0.407 174.261 174.600 0.114 0.000 1.063 22 S CA -0.810 57.486 58.200 0.161 0.000 1.120 22 S CB -0.342 63.071 63.200 0.354 0.000 0.968 22 S HN 0.354 nan 8.310 nan 0.000 0.467 23 I N 6.404 126.999 120.570 0.042 0.000 2.483 23 I HA 0.197 4.384 4.170 0.029 0.000 0.291 23 I C 0.695 176.861 176.117 0.081 0.000 1.112 23 I CA 0.527 61.830 61.300 0.006 0.000 1.350 23 I CB -0.801 37.145 38.000 -0.090 0.000 1.419 23 I HN 0.745 nan 8.210 nan 0.000 0.523 24 E N 4.721 124.994 120.200 0.122 0.000 2.460 24 E HA 0.440 4.808 4.350 0.029 0.000 0.277 24 E C -1.048 175.637 176.600 0.142 0.000 1.010 24 E CA -1.017 55.467 56.400 0.140 0.000 0.838 24 E CB 1.579 31.395 29.700 0.193 0.000 1.448 24 E HN 0.414 nan 8.360 nan 0.000 0.462 25 E N 1.138 121.418 120.200 0.133 0.000 2.316 25 E HA 0.298 4.665 4.350 0.029 0.000 0.275 25 E C -0.547 176.131 176.600 0.130 0.000 1.029 25 E CA -0.649 55.827 56.400 0.126 0.000 0.871 25 E CB 1.166 30.929 29.700 0.105 0.000 1.022 25 E HN 0.429 nan 8.360 nan 0.000 0.418 26 V N 0.932 120.924 119.914 0.130 0.000 3.001 26 V HA 0.561 4.699 4.120 0.029 0.000 0.314 26 V C -0.785 175.392 176.094 0.139 0.000 1.099 26 V CA -0.932 61.449 62.300 0.135 0.000 0.989 26 V CB 1.932 33.829 31.823 0.122 0.000 1.040 26 V HN 0.712 nan 8.190 nan 0.000 0.434 27 E N 1.615 121.900 120.200 0.142 0.000 2.129 27 E HA 0.590 4.958 4.350 0.029 0.000 0.268 27 E C -1.415 175.263 176.600 0.131 0.000 0.900 27 E CA -0.660 55.801 56.400 0.103 0.000 0.755 27 E CB 2.284 32.028 29.700 0.073 0.000 1.117 27 E HN 0.626 nan 8.360 nan 0.000 0.410 28 V N 2.845 122.807 119.914 0.081 0.000 2.334 28 V HA 0.351 4.489 4.120 0.029 0.000 0.281 28 V C 0.403 176.459 176.094 -0.063 0.000 1.016 28 V CA -0.729 61.581 62.300 0.016 0.000 0.832 28 V CB 1.036 32.889 31.823 0.051 0.000 0.999 28 V HN 0.777 nan 8.190 nan 0.000 0.439 29 A N 8.483 131.248 122.820 -0.092 0.000 2.406 29 A HA 0.595 4.932 4.320 0.029 0.000 0.243 29 A C -2.098 175.435 177.584 -0.085 0.000 1.082 29 A CA -0.965 51.026 52.037 -0.076 0.000 0.786 29 A CB -0.166 18.794 19.000 -0.068 0.000 1.029 29 A HN 0.636 nan 8.150 nan 0.000 0.495 30 P HA 0.209 nan 4.420 nan 0.000 0.271 30 P C -2.672 174.592 177.300 -0.060 0.000 1.218 30 P CA -1.225 61.837 63.100 -0.063 0.000 0.780 30 P CB -0.292 31.376 31.700 -0.054 0.000 0.901 31 P HA 0.135 nan 4.420 nan 0.000 0.268 31 P C 0.023 177.293 177.300 -0.050 0.000 1.204 31 P CA 0.344 63.414 63.100 -0.050 0.000 0.768 31 P CB 0.907 32.583 31.700 -0.040 0.000 0.842 32 K N 1.428 121.799 120.400 -0.048 0.000 2.646 32 K HA 0.546 4.884 4.320 0.029 0.000 0.270 32 K C 0.396 176.963 176.600 -0.054 0.000 1.026 32 K CA -0.844 55.416 56.287 -0.044 0.000 1.043 32 K CB 0.392 32.871 32.500 -0.035 0.000 1.383 32 K HN 0.481 nan 8.250 nan 0.000 0.513 33 A N 1.351 124.137 122.820 -0.056 0.000 2.546 33 A HA -0.019 4.319 4.320 0.029 0.000 0.243 33 A C -0.174 177.370 177.584 -0.067 0.000 1.063 33 A CA 0.452 52.416 52.037 -0.122 0.000 0.757 33 A CB -0.471 18.510 19.000 -0.031 0.000 0.991 33 A HN 0.897 nan 8.150 nan 0.000 0.503 34 H N -0.202 118.852 119.070 -0.027 0.000 2.899 34 H HA -0.128 4.445 4.556 0.027 0.000 0.282 34 H C -0.145 175.164 175.328 -0.033 0.000 1.198 34 H CA 1.599 57.630 56.048 -0.028 0.000 1.140 34 H CB -1.514 28.230 29.762 -0.030 0.000 1.317 34 H HN 0.902 nan 8.280 nan 0.000 0.375 35 E N -0.010 120.196 120.200 0.011 0.000 2.244 35 E HA 0.657 5.025 4.350 0.029 0.000 0.266 35 E C -0.259 176.333 176.600 -0.013 0.000 0.914 35 E CA -0.990 55.409 56.400 -0.002 0.000 0.794 35 E CB 2.997 32.684 29.700 -0.022 0.000 1.210 35 E HN -0.044 nan 8.360 nan 0.000 0.414 36 V N 2.040 121.950 119.914 -0.006 0.000 2.531 36 V HA 0.365 4.503 4.120 0.029 0.000 0.301 36 V C -0.416 175.681 176.094 0.004 0.000 1.034 36 V CA -0.773 61.525 62.300 -0.003 0.000 0.865 36 V CB 1.703 33.527 31.823 0.002 0.000 0.995 36 V HN 0.549 nan 8.190 nan 0.000 0.424 37 R N 4.642 125.148 120.500 0.009 0.000 2.229 37 R HA 0.703 5.061 4.340 0.029 0.000 0.328 37 R C -1.143 175.194 176.300 0.060 0.000 1.009 37 R CA -0.356 55.765 56.100 0.036 0.000 0.864 37 R CB 0.771 31.088 30.300 0.029 0.000 1.085 37 R HN 0.711 nan 8.270 nan 0.000 0.453 38 I N 3.904 124.509 120.570 0.058 0.000 2.474 38 I HA 0.279 4.466 4.170 0.029 0.000 0.294 38 I C -0.199 175.868 176.117 -0.083 0.000 1.005 38 I CA -0.819 60.481 61.300 -0.001 0.000 1.113 38 I CB 1.952 39.925 38.000 -0.045 0.000 1.289 38 I HN 0.453 nan 8.210 nan 0.000 0.436 39 K N 6.634 126.912 120.400 -0.203 0.000 2.262 39 K HA 0.377 4.714 4.320 0.029 0.000 0.282 39 K C -0.579 175.700 176.600 -0.536 0.000 1.066 39 K CA -0.697 55.200 56.287 -0.649 0.000 0.901 39 K CB 0.900 33.087 32.500 -0.522 0.000 1.089 39 K HN 0.489 nan 8.250 nan 0.000 0.476 40 M N 4.336 123.487 119.600 -0.748 0.000 2.239 40 M HA -0.018 4.480 4.480 0.029 0.000 0.348 40 M C 0.253 176.176 176.300 -0.630 0.000 1.239 40 M CA 0.318 55.149 55.300 -0.782 0.000 1.114 40 M CB 1.355 33.136 32.600 -1.366 0.000 1.641 40 M HN 0.569 nan 8.290 nan 0.000 0.453 41 V N 2.744 122.514 119.914 -0.240 0.000 2.908 41 V HA 0.512 4.650 4.120 0.029 0.000 0.240 41 V C 0.284 176.516 176.094 0.230 0.000 1.117 41 V CA 0.839 63.139 62.300 0.001 0.000 1.133 41 V CB 0.139 31.952 31.823 -0.016 0.000 0.857 41 V HN 0.901 nan 8.190 nan 0.000 0.478 42 A N -1.048 121.899 122.820 0.211 0.000 2.566 42 A HA 0.714 5.052 4.320 0.029 0.000 0.297 42 A C -0.736 176.992 177.584 0.241 0.000 1.059 42 A CA -0.148 52.037 52.037 0.247 0.000 0.691 42 A CB 2.035 21.098 19.000 0.105 0.000 1.282 42 A HN 0.006 nan 8.150 nan 0.000 0.401 43 T N 0.497 115.201 114.554 0.251 0.000 2.952 43 T HA 0.646 5.014 4.350 0.029 0.000 0.305 43 T C 0.167 174.961 174.700 0.156 0.000 1.064 43 T CA 0.363 62.605 62.100 0.236 0.000 1.008 43 T CB 1.160 70.282 68.868 0.424 0.000 1.078 43 T HN 1.650 nan 8.240 nan 0.000 0.459 44 G N 2.811 111.672 108.800 0.102 0.000 2.477 44 G HA2 0.646 4.624 3.960 0.029 0.000 0.304 44 G HA3 0.646 4.624 3.960 0.029 0.000 0.304 44 G C -0.504 174.435 174.900 0.065 0.000 1.175 44 G CA -0.700 44.428 45.100 0.047 0.000 0.907 44 G HN 0.820 nan 8.290 nan 0.000 0.509 45 I N 1.005 121.550 120.570 -0.042 0.000 2.307 45 I HA 0.196 4.384 4.170 0.029 0.000 0.287 45 I C 0.364 176.404 176.117 -0.129 0.000 1.054 45 I CA -0.416 60.793 61.300 -0.152 0.000 1.218 45 I CB 0.840 38.528 38.000 -0.520 0.000 1.398 45 I HN 0.383 nan 8.210 nan 0.000 0.475 46 C N 6.125 125.414 119.300 -0.018 0.000 2.364 46 C HA 0.387 4.864 4.460 0.029 0.000 0.356 46 C C 2.036 177.042 174.990 0.027 0.000 1.201 46 C CA -0.586 58.448 59.018 0.026 0.000 2.227 46 C CB 1.401 29.201 27.740 0.100 0.000 2.387 46 C HN 0.937 nan 8.230 nan 0.000 0.546 47 R N 2.078 122.558 120.500 -0.034 0.000 2.127 47 R HA -0.052 4.305 4.340 0.029 0.000 0.238 47 R C 2.122 178.237 176.300 -0.308 0.000 1.134 47 R CA 2.366 58.368 56.100 -0.163 0.000 0.975 47 R CB -0.740 29.456 30.300 -0.174 0.000 0.865 47 R HN 0.847 nan 8.270 nan 0.000 0.447 48 S N 0.812 116.453 115.700 -0.099 0.000 2.399 48 S HA -0.111 4.377 4.470 0.029 0.000 0.231 48 S C 1.151 175.840 174.600 0.147 0.000 1.022 48 S CA 1.357 59.558 58.200 0.001 0.000 0.983 48 S CB -0.263 62.934 63.200 -0.005 0.000 0.803 48 S HN 0.440 nan 8.310 nan 0.000 0.480 49 D N 1.236 121.811 120.400 0.291 0.000 2.117 49 D HA -0.117 4.541 4.640 0.029 0.000 0.198 49 D C 1.651 178.208 176.300 0.430 0.000 0.982 49 D CA 1.172 55.400 54.000 0.380 0.000 0.828 49 D CB -0.416 40.777 40.800 0.656 0.000 0.967 49 D HN 0.388 nan 8.370 nan 0.000 0.464 50 D N -0.131 120.545 120.400 0.461 0.000 2.178 50 D HA -0.175 4.483 4.640 0.029 0.000 0.201 50 D C 1.842 178.278 176.300 0.227 0.000 0.980 50 D CA 1.000 55.243 54.000 0.406 0.000 0.842 50 D CB 0.087 41.074 40.800 0.312 0.000 0.948 50 D HN 0.118 nan 8.370 nan 0.000 0.472 51 H N -0.622 118.536 119.070 0.147 0.000 2.421 51 H HA -0.040 4.534 4.556 0.029 0.000 0.298 51 H C 2.241 177.584 175.328 0.024 0.000 1.087 51 H CA 1.006 57.099 56.048 0.075 0.000 1.330 51 H CB -0.437 29.367 29.762 0.070 0.000 1.388 51 H HN 0.141 nan 8.280 nan 0.000 0.526 52 V N 0.023 120.001 119.914 0.105 0.000 2.427 52 V HA -0.160 3.978 4.120 0.029 0.000 0.248 52 V C 2.641 178.696 176.094 -0.065 0.000 1.051 52 V CA 1.119 63.395 62.300 -0.041 0.000 1.048 52 V CB -0.570 31.108 31.823 -0.242 0.000 0.666 52 V HN 0.189 nan 8.190 nan 0.000 0.456 53 V N 0.976 120.851 119.914 -0.065 0.000 2.323 53 V HA -0.182 3.956 4.120 0.029 0.000 0.244 53 V C 2.655 178.705 176.094 -0.074 0.000 1.041 53 V CA 2.203 64.405 62.300 -0.164 0.000 1.025 53 V CB -0.709 30.956 31.823 -0.263 0.000 0.656 53 V HN 0.742 nan 8.190 nan 0.000 0.451 54 S N 0.015 115.723 115.700 0.012 0.000 2.481 54 S HA 0.133 4.621 4.470 0.029 0.000 0.231 54 S C 1.718 176.326 174.600 0.014 0.000 0.996 54 S CA 1.110 59.327 58.200 0.029 0.000 0.942 54 S CB 0.281 63.535 63.200 0.089 0.000 0.768 54 S HN 1.244 nan 8.310 nan 0.000 0.520 55 G N -0.134 108.671 108.800 0.008 0.000 2.175 55 G HA2 -0.283 3.695 3.960 0.029 0.000 0.244 55 G HA3 -0.283 3.695 3.960 0.029 0.000 0.244 55 G C 0.811 175.703 174.900 -0.012 0.000 0.982 55 G CA 0.546 45.642 45.100 -0.007 0.000 0.641 55 G HN 0.484 nan 8.290 nan 0.000 0.527 56 T N -0.323 114.224 114.554 -0.013 0.000 2.746 56 T HA 0.072 4.439 4.350 0.029 0.000 0.267 56 T C 0.921 175.566 174.700 -0.091 0.000 1.039 56 T CA 1.521 63.557 62.100 -0.106 0.000 1.142 56 T CB -0.008 68.683 68.868 -0.295 0.000 0.866 56 T HN 0.425 nan 8.240 nan 0.000 0.444 57 L N 2.649 123.872 121.223 0.000 0.000 2.262 57 L HA 0.465 4.823 4.340 0.029 0.000 0.288 57 L C -0.763 176.132 176.870 0.040 0.000 1.035 57 L CA -0.552 54.314 54.840 0.044 0.000 0.820 57 L CB 0.894 43.040 42.059 0.146 0.000 1.204 57 L HN -0.133 nan 8.230 nan 0.000 0.424 58 V N 4.593 124.523 119.914 0.027 0.000 2.498 58 V HA 0.604 4.741 4.120 0.029 0.000 0.279 58 V C 0.399 176.515 176.094 0.036 0.000 1.048 58 V CA -0.134 62.176 62.300 0.017 0.000 0.967 58 V CB 1.237 33.062 31.823 0.003 0.000 0.988 58 V HN 0.887 nan 8.190 nan 0.000 0.473 59 T N 5.608 120.171 114.554 0.015 0.000 2.942 59 T HA 0.467 4.834 4.350 0.029 0.000 0.327 59 T C -2.986 171.668 174.700 -0.077 0.000 1.360 59 T CA -1.123 60.989 62.100 0.020 0.000 1.055 59 T CB 2.098 71.047 68.868 0.135 0.000 1.261 59 T HN 0.450 nan 8.240 nan 0.000 0.485 60 P HA 0.296 nan 4.420 nan 0.000 0.263 60 P C -0.801 176.302 177.300 -0.329 0.000 1.195 60 P CA 0.001 62.849 63.100 -0.420 0.000 0.762 60 P CB 0.205 31.323 31.700 -0.969 0.000 0.799 61 L N 5.103 126.268 121.223 -0.097 0.000 2.334 61 L HA 0.587 4.945 4.340 0.029 0.000 0.270 61 L C -1.838 175.178 176.870 0.244 0.000 1.018 61 L CA -2.407 52.470 54.840 0.061 0.000 0.811 61 L CB 1.313 43.384 42.059 0.021 0.000 1.271 61 L HN 0.248 nan 8.230 nan 0.000 0.443 62 P HA 0.238 nan 4.420 nan 0.000 0.274 62 P C -1.042 176.277 177.300 0.032 0.000 1.237 62 P CA -0.197 62.919 63.100 0.027 0.000 0.793 62 P CB 2.324 33.939 31.700 -0.142 0.000 0.977 63 V N 1.803 121.653 119.914 -0.106 0.000 3.147 63 V HA 0.432 4.569 4.120 0.029 0.000 0.306 63 V C -0.919 175.087 176.094 -0.147 0.000 1.209 63 V CA -1.098 61.168 62.300 -0.056 0.000 1.023 63 V CB 2.313 34.124 31.823 -0.020 0.000 1.059 63 V HN 0.344 nan 8.190 nan 0.000 0.435 64 I N 4.758 125.233 120.570 -0.160 0.000 2.307 64 I HA 0.588 4.776 4.170 0.029 0.000 0.287 64 I C 0.780 176.858 176.117 -0.064 0.000 1.054 64 I CA 0.028 61.206 61.300 -0.203 0.000 1.218 64 I CB 1.225 38.906 38.000 -0.532 0.000 1.398 64 I HN 0.821 nan 8.210 nan 0.000 0.475 65 A N 4.760 127.552 122.820 -0.046 0.000 2.267 65 A HA 0.822 5.160 4.320 0.029 0.000 0.276 65 A C 0.649 177.911 177.584 -0.536 0.000 1.336 65 A CA 0.275 52.156 52.037 -0.260 0.000 0.815 65 A CB -0.172 18.658 19.000 -0.284 0.000 1.256 65 A HN 0.992 nan 8.150 nan 0.000 0.512 66 G N -1.868 106.437 108.800 -0.824 0.000 3.209 66 G HA2 0.223 4.200 3.960 0.029 0.000 0.686 66 G HA3 0.223 4.200 3.960 0.029 0.000 0.686 66 G C -0.280 174.563 174.900 -0.094 0.000 1.065 66 G CA 0.305 44.718 45.100 -1.146 0.000 0.812 66 G HN 2.111 nan 8.290 nan 0.000 0.573 67 H N 0.222 119.230 119.070 -0.104 0.000 3.787 67 H HA 0.301 4.873 4.556 0.028 0.000 0.262 67 H C 0.271 175.632 175.328 0.056 0.000 1.181 67 H CA 0.425 56.459 56.048 -0.023 0.000 1.159 67 H CB 0.896 30.560 29.762 -0.163 0.000 1.563 67 H HN 0.557 nan 8.280 nan 0.000 0.699 68 E N 1.501 121.437 120.200 -0.440 0.000 2.028 68 E HA 0.616 4.983 4.350 0.029 0.000 0.266 68 E C -0.952 175.635 176.600 -0.021 0.000 0.962 68 E CA -0.431 55.873 56.400 -0.160 0.000 0.784 68 E CB 0.674 30.257 29.700 -0.195 0.000 1.114 68 E HN 0.531 nan 8.360 nan 0.000 0.414 69 A N 2.663 125.499 122.820 0.026 0.000 2.536 69 A HA 0.898 5.236 4.320 0.029 0.000 0.293 69 A C -1.683 175.916 177.584 0.024 0.000 1.119 69 A CA -0.204 51.858 52.037 0.043 0.000 0.654 69 A CB 1.416 20.443 19.000 0.044 0.000 1.291 69 A HN 0.568 nan 8.150 nan 0.000 0.439 70 A N -1.074 121.752 122.820 0.011 0.000 2.547 70 A HA 0.935 5.273 4.320 0.029 0.000 0.297 70 A C -0.139 177.417 177.584 -0.047 0.000 1.056 70 A CA 0.226 52.256 52.037 -0.012 0.000 0.688 70 A CB 1.264 20.261 19.000 -0.005 0.000 1.282 70 A HN 2.577 nan 8.150 nan 0.000 0.400 71 G N -0.259 108.504 108.800 -0.062 0.000 2.706 71 G HA2 0.616 4.594 3.960 0.029 0.000 0.307 71 G HA3 0.616 4.594 3.960 0.029 0.000 0.307 71 G C -1.673 173.182 174.900 -0.075 0.000 1.307 71 G CA -0.524 44.512 45.100 -0.106 0.000 0.790 71 G HN 0.781 nan 8.290 nan 0.000 0.503 72 I N 0.539 121.056 120.570 -0.089 0.000 2.465 72 I HA 0.353 4.540 4.170 0.029 0.000 0.291 72 I C 0.007 176.102 176.117 -0.036 0.000 1.014 72 I CA -1.013 60.257 61.300 -0.051 0.000 1.093 72 I CB 2.324 40.297 38.000 -0.045 0.000 1.267 72 I HN 0.165 nan 8.210 nan 0.000 0.431 73 V N 5.901 125.806 119.914 -0.015 0.000 2.540 73 V HA -0.027 4.111 4.120 0.029 0.000 0.297 73 V C 1.273 177.379 176.094 0.021 0.000 1.024 73 V CA 0.284 62.585 62.300 0.002 0.000 1.105 73 V CB 0.810 32.634 31.823 0.001 0.000 0.938 73 V HN 0.865 nan 8.190 nan 0.000 0.482 74 E N 3.167 123.397 120.200 0.050 0.000 2.166 74 E HA 0.024 4.392 4.350 0.029 0.000 0.192 74 E C 0.690 177.313 176.600 0.038 0.000 0.967 74 E CA 1.088 57.536 56.400 0.080 0.000 0.840 74 E CB 0.796 30.606 29.700 0.183 0.000 0.795 74 E HN 0.864 nan 8.360 nan 0.000 0.470 75 S N -0.381 115.333 115.700 0.023 0.000 2.595 75 S HA 0.518 5.005 4.470 0.029 0.000 0.270 75 S C -0.678 173.917 174.600 -0.008 0.000 1.145 75 S CA -0.825 57.375 58.200 0.000 0.000 0.825 75 S CB 0.776 63.969 63.200 -0.011 0.000 1.107 75 S HN 0.245 nan 8.310 nan 0.000 0.461 76 I N -0.607 119.951 120.570 -0.021 0.000 2.689 76 I HA 0.920 5.107 4.170 0.029 0.000 0.299 76 I C 0.372 176.459 176.117 -0.049 0.000 1.059 76 I CA -1.069 60.213 61.300 -0.031 0.000 1.055 76 I CB 1.660 39.642 38.000 -0.030 0.000 1.243 76 I HN 0.879 nan 8.210 nan 0.000 0.425 77 G N 2.508 111.268 108.800 -0.066 0.000 2.580 77 G HA2 0.277 4.254 3.960 0.029 0.000 0.278 77 G HA3 0.277 4.254 3.960 0.029 0.000 0.278 77 G C -0.573 174.245 174.900 -0.136 0.000 1.212 77 G CA -0.521 44.525 45.100 -0.090 0.000 0.939 77 G HN 0.884 nan 8.290 nan 0.000 0.513 78 E N -0.899 119.212 120.200 -0.149 0.000 2.452 78 E HA 0.339 4.706 4.350 0.029 0.000 0.261 78 E C 1.425 177.818 176.600 -0.344 0.000 0.987 78 E CA 1.427 57.720 56.400 -0.178 0.000 0.926 78 E CB 0.121 29.741 29.700 -0.135 0.000 0.934 78 E HN 1.042 nan 8.360 nan 0.000 0.452 79 G N 2.493 111.129 108.800 -0.273 0.000 2.225 79 G HA2 -0.283 3.695 3.960 0.029 0.000 0.254 79 G HA3 -0.283 3.695 3.960 0.029 0.000 0.254 79 G C 0.226 174.980 174.900 -0.244 0.000 0.988 79 G CA 0.081 44.967 45.100 -0.358 0.000 0.625 79 G HN 0.558 nan 8.290 nan 0.000 0.527 80 V N 1.859 121.658 119.914 -0.191 0.000 2.673 80 V HA 0.431 4.569 4.120 0.029 0.000 0.303 80 V C 1.694 177.788 176.094 -0.001 0.000 1.046 80 V CA 1.667 63.946 62.300 -0.035 0.000 1.126 80 V CB 1.333 33.136 31.823 -0.032 0.000 0.934 80 V HN 0.895 nan 8.190 nan 0.000 0.487 81 T N -1.667 112.910 114.554 0.038 0.000 2.969 81 T HA -0.032 4.336 4.350 0.029 0.000 0.258 81 T C 1.309 176.022 174.700 0.020 0.000 0.962 81 T CA 0.504 62.619 62.100 0.025 0.000 0.903 81 T CB 0.111 69.001 68.868 0.037 0.000 1.177 81 T HN 0.709 nan 8.240 nan 0.000 0.511 82 T N 1.044 115.613 114.554 0.025 0.000 3.100 82 T HA 0.438 4.805 4.350 0.029 0.000 0.253 82 T C 0.593 175.299 174.700 0.010 0.000 1.118 82 T CA 0.394 62.504 62.100 0.016 0.000 1.058 82 T CB -0.424 68.454 68.868 0.017 0.000 0.953 82 T HN 0.690 nan 8.240 nan 0.000 0.515 83 V N -2.580 117.338 119.914 0.008 0.000 3.188 83 V HA 0.863 5.001 4.120 0.029 0.000 0.305 83 V C -1.295 174.799 176.094 -0.000 0.000 1.232 83 V CA -1.757 60.545 62.300 0.003 0.000 1.043 83 V CB 2.111 33.936 31.823 0.002 0.000 1.068 83 V HN 0.153 nan 8.190 nan 0.000 0.439 84 R N 0.921 121.421 120.500 -0.001 0.000 2.808 84 R HA 0.698 5.055 4.340 0.029 0.000 0.272 84 R C -3.056 173.243 176.300 -0.002 0.000 0.995 84 R CA -2.015 54.084 56.100 -0.003 0.000 0.917 84 R CB 2.668 32.966 30.300 -0.003 0.000 1.217 84 R HN 0.559 nan 8.270 nan 0.000 0.471 85 P HA 0.010 nan 4.420 nan 0.000 0.262 85 P C 0.388 177.689 177.300 0.003 0.000 1.182 85 P CA 1.186 64.288 63.100 0.003 0.000 0.761 85 P CB 0.605 32.306 31.700 0.003 0.000 0.795 86 G N 2.009 110.811 108.800 0.003 0.000 2.258 86 G HA2 -0.194 3.784 3.960 0.029 0.000 0.233 86 G HA3 -0.194 3.784 3.960 0.029 0.000 0.233 86 G C 0.020 174.919 174.900 -0.002 0.000 1.006 86 G CA -0.274 44.827 45.100 0.001 0.000 0.620 86 G HN 0.502 nan 8.290 nan 0.000 0.511 87 D N 1.498 121.896 120.400 -0.002 0.000 2.399 87 D HA 0.412 5.069 4.640 0.029 0.000 0.241 87 D C 0.769 177.064 176.300 -0.007 0.000 1.133 87 D CA 0.349 54.347 54.000 -0.003 0.000 0.890 87 D CB 0.657 41.456 40.800 -0.002 0.000 1.201 87 D HN 0.369 nan 8.370 nan 0.000 0.432 88 K N 0.606 121.002 120.400 -0.006 0.000 2.249 88 K HA 0.430 4.768 4.320 0.029 0.000 0.280 88 K C -0.255 176.340 176.600 -0.008 0.000 1.033 88 K CA -0.603 55.678 56.287 -0.009 0.000 0.946 88 K CB 1.092 33.589 32.500 -0.005 0.000 1.005 88 K HN 0.246 nan 8.250 nan 0.000 0.469 89 V N -0.078 119.828 119.914 -0.014 0.000 3.159 89 V HA 0.626 4.763 4.120 0.029 0.000 0.308 89 V C -0.729 175.360 176.094 -0.009 0.000 1.190 89 V CA -1.142 61.152 62.300 -0.009 0.000 1.037 89 V CB 1.822 33.639 31.823 -0.011 0.000 1.060 89 V HN 0.622 nan 8.190 nan 0.000 0.437 90 I N 2.349 122.918 120.570 -0.002 0.000 2.478 90 I HA 0.512 4.700 4.170 0.029 0.000 0.287 90 I C -2.679 173.436 176.117 -0.003 0.000 1.042 90 I CA -2.112 59.191 61.300 0.005 0.000 1.067 90 I CB 2.991 41.005 38.000 0.023 0.000 1.233 90 I HN 0.509 nan 8.210 nan 0.000 0.431 91 P HA 0.169 nan 4.420 nan 0.000 0.271 91 P C -0.957 176.329 177.300 -0.024 0.000 1.216 91 P CA -0.038 63.062 63.100 0.000 0.000 0.771 91 P CB 0.464 32.178 31.700 0.024 0.000 0.864 92 L N 4.572 125.753 121.223 -0.071 0.000 2.277 92 L HA 0.315 4.672 4.340 0.029 0.000 0.284 92 L C 1.496 178.251 176.870 -0.191 0.000 1.028 92 L CA -0.664 54.057 54.840 -0.199 0.000 0.835 92 L CB 0.272 42.213 42.059 -0.197 0.000 1.215 92 L HN 0.405 nan 8.230 nan 0.000 0.425 93 F N 0.454 120.269 119.950 -0.226 0.000 2.269 93 F HA -0.003 4.548 4.527 0.039 0.000 0.301 93 F C 0.791 176.472 175.800 -0.199 0.000 1.082 93 F CA 0.208 58.085 58.000 -0.204 0.000 1.360 93 F CB -0.470 38.422 39.000 -0.181 0.000 1.041 93 F HN 0.247 nan 8.300 nan 0.000 0.512 94 T N 4.343 118.524 114.554 -0.623 0.000 2.788 94 T HA 0.348 4.716 4.350 0.029 0.000 0.296 94 T C -2.488 172.037 174.700 -0.292 0.000 1.009 94 T CA -1.513 60.351 62.100 -0.393 0.000 0.949 94 T CB 1.647 70.234 68.868 -0.468 0.000 0.946 94 T HN -0.080 nan 8.240 nan 0.000 0.453 95 P HA 0.183 nan 4.420 nan 0.000 0.274 95 P C -0.639 176.600 177.300 -0.101 0.000 1.260 95 P CA -0.490 62.530 63.100 -0.133 0.000 0.793 95 P CB 0.780 32.413 31.700 -0.113 0.000 1.048 96 Q N -0.076 119.682 119.800 -0.071 0.000 3.244 96 Q HA 0.209 4.566 4.340 0.029 0.000 0.249 96 Q C 0.851 176.828 176.000 -0.039 0.000 0.951 96 Q CA -0.384 55.395 55.803 -0.039 0.000 0.740 96 Q CB -0.224 28.506 28.738 -0.013 0.000 1.334 96 Q HN 0.600 nan 8.270 nan 0.000 0.448 97 C N 0.072 119.342 119.300 -0.050 0.000 2.419 97 C HA 0.201 4.678 4.460 0.029 0.000 0.281 97 C C 1.714 176.682 174.990 -0.036 0.000 1.336 97 C CA 0.935 59.922 59.018 -0.051 0.000 1.770 97 C CB -1.158 26.544 27.740 -0.063 0.000 1.929 97 C HN 1.000 nan 8.230 nan 0.000 0.509 98 G N 0.515 109.303 108.800 -0.021 0.000 2.168 98 G HA2 -0.322 3.655 3.960 0.029 0.000 0.263 98 G HA3 -0.322 3.655 3.960 0.029 0.000 0.263 98 G C 0.792 175.686 174.900 -0.011 0.000 0.977 98 G CA 0.984 46.079 45.100 -0.008 0.000 0.659 98 G HN 0.683 nan 8.290 nan 0.000 0.533 99 K N -0.921 119.467 120.400 -0.019 0.000 2.464 99 K HA 0.249 4.587 4.320 0.029 0.000 0.206 99 K C 1.654 178.245 176.600 -0.015 0.000 1.186 99 K CA 0.404 56.680 56.287 -0.019 0.000 0.990 99 K CB 0.510 32.991 32.500 -0.032 0.000 1.003 99 K HN 0.658 nan 8.250 nan 0.000 0.562 100 C N -0.054 119.235 119.300 -0.019 0.000 2.480 100 C HA 0.366 4.844 4.460 0.029 0.000 0.358 100 C C 1.758 176.751 174.990 0.006 0.000 1.309 100 C CA -0.834 58.175 59.018 -0.016 0.000 2.465 100 C CB 1.084 28.804 27.740 -0.034 0.000 2.379 100 C HN 0.434 nan 8.230 nan 0.000 0.642 101 R N 0.232 120.738 120.500 0.011 0.000 2.139 101 R HA -0.089 4.269 4.340 0.029 0.000 0.243 101 R C 1.763 178.103 176.300 0.066 0.000 1.145 101 R CA 1.996 58.118 56.100 0.037 0.000 0.976 101 R CB -0.295 30.023 30.300 0.030 0.000 0.866 101 R HN 0.811 nan 8.270 nan 0.000 0.449 102 V N -0.856 119.081 119.914 0.038 0.000 2.407 102 V HA -0.248 3.890 4.120 0.029 0.000 0.245 102 V C 2.390 178.533 176.094 0.082 0.000 1.041 102 V CA 1.417 63.747 62.300 0.049 0.000 1.040 102 V CB -0.334 31.497 31.823 0.014 0.000 0.671 102 V HN 0.495 nan 8.190 nan 0.000 0.455 103 C N -0.046 119.281 119.300 0.046 0.000 2.425 103 C HA -0.150 4.328 4.460 0.029 0.000 0.277 103 C C 2.739 177.767 174.990 0.062 0.000 1.280 103 C CA 1.121 60.166 59.018 0.045 0.000 1.744 103 C CB -0.919 26.829 27.740 0.013 0.000 1.989 103 C HN 0.512 nan 8.230 nan 0.000 0.491 104 K N -0.859 119.579 120.400 0.063 0.000 2.366 104 K HA -0.043 4.295 4.320 0.029 0.000 0.198 104 K C 0.916 177.560 176.600 0.074 0.000 1.044 104 K CA 0.248 56.568 56.287 0.054 0.000 0.973 104 K CB -0.148 32.375 32.500 0.038 0.000 0.767 104 K HN 0.595 nan 8.250 nan 0.000 0.475 105 H N 1.145 120.225 119.070 0.016 0.000 2.683 105 H HA 0.039 4.611 4.556 0.027 0.000 0.339 105 H C -1.963 173.379 175.328 0.024 0.000 1.081 105 H CA -1.794 54.266 56.048 0.019 0.000 1.432 105 H CB 1.594 31.369 29.762 0.022 0.000 1.462 105 H HN -0.105 nan 8.280 nan 0.000 0.557 106 P HA -0.115 nan 4.420 nan 0.000 0.218 106 P C 0.586 177.973 177.300 0.145 0.000 1.148 106 P CA 1.200 64.281 63.100 -0.032 0.000 0.822 106 P CB 0.534 32.157 31.700 -0.129 0.000 0.784 107 E N -0.997 119.463 120.200 0.433 0.000 2.489 107 E HA 0.199 4.567 4.350 0.029 0.000 0.204 107 E C 1.208 177.925 176.600 0.196 0.000 1.006 107 E CA 0.079 56.646 56.400 0.279 0.000 0.936 107 E CB 0.187 30.037 29.700 0.250 0.000 1.002 107 E HN 0.140 nan 8.360 nan 0.000 0.488 108 G N 2.074 111.013 108.800 0.231 0.000 2.448 108 G HA2 0.233 4.210 3.960 0.029 0.000 0.285 108 G HA3 0.233 4.210 3.960 0.029 0.000 0.285 108 G C 0.562 175.525 174.900 0.104 0.000 1.176 108 G CA -0.289 44.847 45.100 0.059 0.000 0.852 108 G HN 0.128 nan 8.290 nan 0.000 0.530 109 N N -0.088 118.679 118.700 0.112 0.000 2.008 109 N HA 0.006 4.764 4.740 0.029 0.000 0.228 109 N C -0.173 175.443 175.510 0.176 0.000 1.375 109 N CA -0.375 52.759 53.050 0.140 0.000 0.856 109 N CB 0.266 38.848 38.487 0.159 0.000 1.096 109 N HN 0.296 nan 8.380 nan 0.000 0.489 110 F N 3.658 123.608 119.950 -0.000 0.000 2.661 110 F HA 0.336 4.879 4.527 0.026 0.000 0.356 110 F C 0.666 176.455 175.800 -0.019 0.000 1.244 110 F CA -1.510 56.484 58.000 -0.010 0.000 1.290 110 F CB -0.905 38.089 39.000 -0.011 0.000 1.677 110 F HN 0.133 nan 8.300 nan 0.000 0.649 111 C N 5.020 124.250 119.300 -0.116 0.000 2.348 111 C HA -0.109 4.368 4.460 0.029 0.000 0.391 111 C C 2.056 176.872 174.990 -0.290 0.000 1.463 111 C CA -0.136 58.785 59.018 -0.161 0.000 1.550 111 C CB -0.781 26.885 27.740 -0.123 0.000 2.539 111 C HN 0.854 nan 8.230 nan 0.000 0.588 112 L N 4.643 125.748 121.223 -0.198 0.000 2.549 112 L HA -0.049 4.308 4.340 0.029 0.000 0.229 112 L C 2.202 178.955 176.870 -0.195 0.000 1.158 112 L CA 1.064 55.782 54.840 -0.204 0.000 0.842 112 L CB -0.504 41.486 42.059 -0.116 0.000 0.952 112 L HN 0.713 nan 8.230 nan 0.000 0.452 113 K N 0.683 120.975 120.400 -0.179 0.000 2.444 113 K HA 0.050 4.388 4.320 0.029 0.000 0.193 113 K C 0.307 176.806 176.600 -0.168 0.000 1.024 113 K CA -0.109 56.090 56.287 -0.147 0.000 1.077 113 K CB -0.537 31.895 32.500 -0.113 0.000 0.833 113 K HN 0.512 nan 8.250 nan 0.000 0.517 114 N N 0.837 119.385 118.700 -0.254 0.000 2.344 114 N HA -0.110 4.648 4.740 0.029 0.000 0.236 114 N C 0.096 175.515 175.510 -0.152 0.000 1.279 114 N CA 0.133 53.038 53.050 -0.242 0.000 0.882 114 N CB 0.475 38.696 38.487 -0.444 0.000 1.110 114 N HN -0.190 nan 8.380 nan 0.000 0.436 115 D N -0.254 120.095 120.400 -0.084 0.000 2.501 115 D HA 0.210 4.867 4.640 0.029 0.000 0.226 115 D C 0.412 176.714 176.300 0.003 0.000 1.198 115 D CA -0.137 53.841 54.000 -0.037 0.000 0.830 115 D CB 0.036 40.821 40.800 -0.026 0.000 1.014 115 D HN 0.546 nan 8.370 nan 0.000 0.496 116 L N -0.610 120.638 121.223 0.042 0.000 2.200 116 L HA 0.157 4.514 4.340 0.029 0.000 0.200 116 L C 2.388 179.353 176.870 0.157 0.000 1.072 116 L CA 0.721 55.642 54.840 0.136 0.000 0.787 116 L CB -0.633 41.611 42.059 0.308 0.000 0.957 116 L HN -0.080 nan 8.230 nan 0.000 0.459 117 S N -0.148 115.660 115.700 0.180 0.000 2.348 117 S HA 0.034 4.521 4.470 0.029 0.000 0.221 117 S C 0.929 175.571 174.600 0.070 0.000 1.033 117 S CA 1.200 59.489 58.200 0.148 0.000 1.010 117 S CB -0.105 63.168 63.200 0.122 0.000 0.891 117 S HN 0.231 nan 8.310 nan 0.000 0.442 118 M N 1.545 121.168 119.600 0.038 0.000 1.986 118 M HA 0.360 4.858 4.480 0.029 0.000 0.247 118 M C -3.180 173.132 176.300 0.020 0.000 0.851 118 M CA -1.998 53.316 55.300 0.024 0.000 0.785 118 M CB 0.518 33.126 32.600 0.013 0.000 1.554 118 M HN -0.163 nan 8.290 nan 0.000 0.361 119 P HA 0.155 nan 4.420 nan 0.000 0.260 119 P C 0.329 177.639 177.300 0.018 0.000 1.185 119 P CA 0.253 63.371 63.100 0.030 0.000 0.763 119 P CB 0.704 32.433 31.700 0.048 0.000 0.776 120 R N 2.441 122.960 120.500 0.033 0.000 2.250 120 R HA 0.196 4.554 4.340 0.029 0.000 0.194 120 R C 1.183 177.548 176.300 0.108 0.000 0.927 120 R CA 0.498 56.630 56.100 0.052 0.000 1.052 120 R CB 0.010 30.343 30.300 0.054 0.000 1.055 120 R HN 0.727 nan 8.270 nan 0.000 0.537 121 G N 2.460 111.338 108.800 0.131 0.000 2.246 121 G HA2 -0.290 3.688 3.960 0.029 0.000 0.273 121 G HA3 -0.290 3.688 3.960 0.029 0.000 0.273 121 G C 0.149 175.266 174.900 0.363 0.000 1.055 121 G CA 0.846 46.100 45.100 0.258 0.000 0.851 121 G HN 0.488 nan 8.290 nan 0.000 0.500 122 T N -3.940 110.722 114.554 0.180 0.000 2.693 122 T HA 0.815 5.182 4.350 0.029 0.000 0.278 122 T C 0.626 175.215 174.700 -0.185 0.000 0.994 122 T CA -1.034 61.090 62.100 0.040 0.000 1.033 122 T CB 1.600 70.490 68.868 0.037 0.000 1.342 122 T HN 0.127 nan 8.240 nan 0.000 0.538 123 M N 1.142 120.547 119.600 -0.324 0.000 2.159 123 M HA 0.316 4.813 4.480 0.029 0.000 0.293 123 M C 1.705 177.921 176.300 -0.140 0.000 1.186 123 M CA -0.496 54.620 55.300 -0.305 0.000 1.073 123 M CB 0.552 32.978 32.600 -0.291 0.000 1.419 123 M HN 0.718 nan 8.290 nan 0.000 0.490 124 Q N 1.151 120.885 119.800 -0.110 0.000 2.135 124 Q HA -0.182 4.175 4.340 0.029 0.000 0.204 124 Q C 1.019 176.984 176.000 -0.059 0.000 0.981 124 Q CA 1.848 57.607 55.803 -0.074 0.000 0.856 124 Q CB -0.561 28.138 28.738 -0.065 0.000 0.902 124 Q HN 0.736 nan 8.270 nan 0.000 0.425 125 D N -1.108 119.257 120.400 -0.058 0.000 2.371 125 D HA 0.015 4.672 4.640 0.029 0.000 0.234 125 D C 1.001 177.282 176.300 -0.032 0.000 1.049 125 D CA 0.862 54.838 54.000 -0.040 0.000 0.907 125 D CB -0.429 40.350 40.800 -0.034 0.000 0.891 125 D HN 0.312 nan 8.370 nan 0.000 0.531 126 G N -0.291 108.490 108.800 -0.033 0.000 2.159 126 G HA2 -0.258 3.720 3.960 0.029 0.000 0.256 126 G HA3 -0.258 3.720 3.960 0.029 0.000 0.256 126 G C 0.413 175.312 174.900 -0.001 0.000 0.977 126 G CA 0.773 45.867 45.100 -0.009 0.000 0.652 126 G HN 0.901 nan 8.290 nan 0.000 0.531 127 T N -2.543 111.997 114.554 -0.023 0.000 2.930 127 T HA 0.770 5.137 4.350 0.029 0.000 0.290 127 T C -0.117 174.566 174.700 -0.028 0.000 1.052 127 T CA 0.350 62.442 62.100 -0.013 0.000 1.017 127 T CB 2.254 71.112 68.868 -0.016 0.000 1.137 127 T HN 1.126 nan 8.240 nan 0.000 0.511 128 S N -0.490 115.232 115.700 0.035 0.000 2.549 128 S HA 0.470 4.958 4.470 0.029 0.000 0.297 128 S C 0.613 175.280 174.600 0.112 0.000 1.115 128 S CA -0.951 57.345 58.200 0.160 0.000 1.059 128 S CB 0.889 64.215 63.200 0.210 0.000 1.046 128 S HN 0.671 nan 8.310 nan 0.000 0.506 129 R N 1.992 122.611 120.500 0.198 0.000 2.393 129 R HA 0.218 4.575 4.340 0.029 0.000 0.244 129 R C -0.968 175.167 176.300 -0.275 0.000 0.920 129 R CA 0.181 56.204 56.100 -0.127 0.000 1.076 129 R CB -0.242 29.918 30.300 -0.233 0.000 1.119 129 R HN 0.495 nan 8.270 nan 0.000 0.524 130 F N 0.213 120.192 119.950 0.048 0.000 2.469 130 F HA 0.382 4.926 4.527 0.028 0.000 0.332 130 F C 0.501 176.296 175.800 -0.008 0.000 1.103 130 F CA -0.559 57.426 58.000 -0.026 0.000 0.979 130 F CB 1.952 40.876 39.000 -0.128 0.000 1.137 130 F HN -0.320 nan 8.300 nan 0.000 0.463 131 T N 1.634 116.322 114.554 0.223 0.000 2.893 131 T HA 0.545 4.912 4.350 0.029 0.000 0.293 131 T C -1.517 173.270 174.700 0.144 0.000 1.027 131 T CA -0.683 61.503 62.100 0.145 0.000 0.988 131 T CB 1.684 70.615 68.868 0.105 0.000 1.043 131 T HN 0.771 nan 8.240 nan 0.000 0.461 132 C N 3.532 122.925 119.300 0.154 0.000 2.701 132 C HA 0.590 5.067 4.460 0.029 0.000 0.336 132 C C 0.445 175.597 174.990 0.269 0.000 1.123 132 C CA -0.544 58.596 59.018 0.202 0.000 1.326 132 C CB 0.101 27.948 27.740 0.178 0.000 1.833 132 C HN 1.084 nan 8.230 nan 0.000 0.473 133 R N 3.783 124.408 120.500 0.208 0.000 3.627 133 R HA -0.199 4.158 4.340 0.029 0.000 0.281 133 R C 1.212 177.580 176.300 0.114 0.000 1.140 133 R CA 1.229 57.417 56.100 0.146 0.000 0.761 133 R CB -1.949 28.426 30.300 0.125 0.000 1.181 133 R HN 2.112 nan 8.270 nan 0.000 0.472 134 G N -0.518 108.346 108.800 0.106 0.000 2.205 134 G HA2 -0.375 3.602 3.960 0.029 0.000 0.261 134 G HA3 -0.375 3.602 3.960 0.029 0.000 0.261 134 G C 0.014 174.969 174.900 0.091 0.000 0.980 134 G CA 0.921 46.070 45.100 0.081 0.000 0.632 134 G HN 0.415 nan 8.290 nan 0.000 0.533 135 K N 1.111 121.589 120.400 0.131 0.000 2.164 135 K HA 0.557 4.895 4.320 0.029 0.000 0.258 135 K C -2.928 173.740 176.600 0.114 0.000 0.951 135 K CA -2.199 54.166 56.287 0.131 0.000 0.844 135 K CB 2.398 35.013 32.500 0.193 0.000 1.099 135 K HN 0.015 nan 8.250 nan 0.000 0.435 136 P HA 0.147 nan 4.420 nan 0.000 0.271 136 P C -0.515 176.773 177.300 -0.019 0.000 1.220 136 P CA -0.071 63.048 63.100 0.031 0.000 0.768 136 P CB 0.447 32.141 31.700 -0.009 0.000 0.848 137 I N 3.257 123.827 120.570 -0.000 0.000 2.441 137 I HA 0.284 4.472 4.170 0.029 0.000 0.295 137 I C 0.916 177.029 176.117 -0.006 0.000 0.994 137 I CA -0.813 60.450 61.300 -0.062 0.000 1.144 137 I CB 0.765 38.691 38.000 -0.122 0.000 1.314 137 I HN 0.423 nan 8.210 nan 0.000 0.445 138 H N 4.331 123.456 119.070 0.092 0.000 2.679 138 H HA 0.224 4.798 4.556 0.029 0.000 0.369 138 H C 0.171 175.628 175.328 0.216 0.000 1.178 138 H CA 0.330 56.490 56.048 0.188 0.000 1.419 138 H CB 0.632 30.474 29.762 0.135 0.000 1.458 138 H HN 0.416 nan 8.280 nan 0.000 0.605 139 H N 0.637 119.934 119.070 0.378 0.000 2.499 139 H HA 0.179 4.752 4.556 0.029 0.000 0.352 139 H C -0.868 174.664 175.328 0.339 0.000 1.237 139 H CA -0.342 55.925 56.048 0.365 0.000 1.343 139 H CB 1.369 31.308 29.762 0.295 0.000 1.578 139 H HN 0.375 nan 8.280 nan 0.000 0.577 140 F N 1.719 121.810 119.950 0.236 0.000 2.539 140 F HA 0.191 4.737 4.527 0.033 0.000 0.328 140 F C -0.068 175.799 175.800 0.111 0.000 1.148 140 F CA -0.972 57.098 58.000 0.116 0.000 0.940 140 F CB 0.124 39.149 39.000 0.042 0.000 1.194 140 F HN 0.574 nan 8.300 nan 0.000 0.438 141 L N 5.945 126.981 121.223 -0.312 0.000 3.839 141 L HA -0.269 4.088 4.340 0.029 0.000 0.416 141 L C 1.165 177.981 176.870 -0.089 0.000 1.195 141 L CA 0.883 55.533 54.840 -0.316 0.000 0.946 141 L CB -2.057 39.642 42.059 -0.601 0.000 1.891 141 L HN 1.251 nan 8.230 nan 0.000 0.963 142 G N -0.856 107.958 108.800 0.023 0.000 2.225 142 G HA2 -0.365 3.613 3.960 0.029 0.000 0.267 142 G HA3 -0.365 3.613 3.960 0.029 0.000 0.267 142 G C 0.658 175.618 174.900 0.101 0.000 1.024 142 G CA 1.403 46.535 45.100 0.053 0.000 0.784 142 G HN 0.745 nan 8.290 nan 0.000 0.507 143 T N -5.178 109.461 114.554 0.141 0.000 3.361 143 T HA 0.488 4.856 4.350 0.029 0.000 0.241 143 T C 1.109 175.934 174.700 0.207 0.000 0.998 143 T CA 1.077 63.263 62.100 0.142 0.000 1.215 143 T CB 0.290 69.222 68.868 0.106 0.000 1.196 143 T HN 1.348 nan 8.240 nan 0.000 0.376 144 S N 1.961 117.792 115.700 0.218 0.000 3.477 144 S HA -0.126 4.362 4.470 0.029 0.000 0.426 144 S C 0.847 175.508 174.600 0.101 0.000 0.874 144 S CA 0.728 59.032 58.200 0.173 0.000 1.341 144 S CB -1.605 61.755 63.200 0.265 0.000 0.917 144 S HN 1.129 nan 8.310 nan 0.000 0.607 145 T N -2.298 112.268 114.554 0.021 0.000 3.060 145 T HA 0.272 4.640 4.350 0.029 0.000 0.249 145 T C 0.407 175.222 174.700 0.193 0.000 1.079 145 T CA -0.023 62.099 62.100 0.038 0.000 1.013 145 T CB -0.106 68.779 68.868 0.029 0.000 0.975 145 T HN 0.327 nan 8.240 nan 0.000 0.518 146 F N 3.059 123.065 119.950 0.094 0.000 2.733 146 F HA 0.679 5.224 4.527 0.030 0.000 0.344 146 F C 0.747 176.623 175.800 0.125 0.000 1.179 146 F CA -1.562 56.550 58.000 0.185 0.000 1.316 146 F CB -1.010 38.060 39.000 0.116 0.000 1.577 146 F HN 0.206 nan 8.300 nan 0.000 0.591 147 S N -0.537 115.201 115.700 0.064 0.000 2.537 147 S HA 0.275 4.762 4.470 0.029 0.000 0.271 147 S C 0.580 174.974 174.600 -0.345 0.000 1.148 147 S CA -0.515 57.657 58.200 -0.046 0.000 0.868 147 S CB 1.438 64.637 63.200 -0.002 0.000 1.115 147 S HN 0.363 nan 8.310 nan 0.000 0.461 148 Q N 0.749 120.407 119.800 -0.236 0.000 2.226 148 Q HA 0.009 4.367 4.340 0.029 0.000 0.204 148 Q C -0.695 174.926 176.000 -0.632 0.000 0.975 148 Q CA 1.388 56.925 55.803 -0.444 0.000 0.866 148 Q CB 0.050 28.787 28.738 -0.001 0.000 0.915 148 Q HN 0.654 nan 8.270 nan 0.000 0.440 149 Y N -1.680 118.533 120.300 -0.144 0.000 2.492 149 Y HA 0.416 4.983 4.550 0.029 0.000 0.346 149 Y C -0.124 175.810 175.900 0.056 0.000 0.997 149 Y CA -0.705 57.355 58.100 -0.068 0.000 1.025 149 Y CB 2.474 40.925 38.460 -0.017 0.000 1.263 149 Y HN -0.323 nan 8.280 nan 0.000 0.454 150 T N 1.459 116.118 114.554 0.175 0.000 2.865 150 T HA 0.783 5.151 4.350 0.029 0.000 0.294 150 T C -1.931 172.818 174.700 0.082 0.000 1.119 150 T CA -0.560 61.669 62.100 0.214 0.000 1.007 150 T CB 1.290 70.279 68.868 0.203 0.000 1.225 150 T HN 0.330 nan 8.240 nan 0.000 0.515 151 V N 3.172 123.095 119.914 0.015 0.000 2.531 151 V HA 0.729 4.867 4.120 0.029 0.000 0.301 151 V C -0.208 175.928 176.094 0.069 0.000 1.034 151 V CA -0.669 61.631 62.300 0.001 0.000 0.865 151 V CB 1.329 33.104 31.823 -0.079 0.000 0.995 151 V HN 0.829 nan 8.190 nan 0.000 0.424 152 V N 0.650 120.585 119.914 0.035 0.000 2.914 152 V HA 0.685 4.823 4.120 0.029 0.000 0.314 152 V C -0.416 175.675 176.094 -0.006 0.000 1.084 152 V CA -0.798 61.517 62.300 0.026 0.000 0.963 152 V CB 2.186 34.030 31.823 0.035 0.000 1.025 152 V HN 0.718 nan 8.190 nan 0.000 0.432 153 D N 2.069 122.456 120.400 -0.021 0.000 2.399 153 D HA 0.078 4.735 4.640 0.029 0.000 0.241 153 D C 0.943 177.241 176.300 -0.004 0.000 1.133 153 D CA 0.535 54.524 54.000 -0.019 0.000 0.890 153 D CB 1.969 42.745 40.800 -0.040 0.000 1.201 153 D HN 0.956 nan 8.370 nan 0.000 0.432 154 E N 1.515 121.728 120.200 0.021 0.000 2.085 154 E HA -0.207 4.161 4.350 0.029 0.000 0.194 154 E C 1.941 178.541 176.600 -0.001 0.000 0.994 154 E CA 1.061 57.478 56.400 0.028 0.000 0.801 154 E CB -0.064 29.684 29.700 0.079 0.000 0.743 154 E HN 0.628 nan 8.360 nan 0.000 0.453 155 I N -1.758 118.799 120.570 -0.021 0.000 3.334 155 I HA -0.008 4.180 4.170 0.029 0.000 0.282 155 I C 1.041 177.130 176.117 -0.047 0.000 1.313 155 I CA 0.707 61.985 61.300 -0.038 0.000 1.396 155 I CB 0.246 38.213 38.000 -0.055 0.000 1.054 155 I HN -0.113 nan 8.210 nan 0.000 0.495 156 S N 0.583 116.257 115.700 -0.043 0.000 2.574 156 S HA 0.399 4.887 4.470 0.029 0.000 0.242 156 S C -0.019 174.557 174.600 -0.040 0.000 0.982 156 S CA -0.272 57.896 58.200 -0.053 0.000 0.977 156 S CB 0.474 63.648 63.200 -0.043 0.000 0.814 156 S HN 0.337 nan 8.310 nan 0.000 0.464 157 V N 1.008 120.904 119.914 -0.030 0.000 2.932 157 V HA 0.858 4.995 4.120 0.029 0.000 0.307 157 V C -1.743 174.342 176.094 -0.014 0.000 1.147 157 V CA -0.685 61.603 62.300 -0.019 0.000 0.951 157 V CB 1.909 33.728 31.823 -0.008 0.000 1.031 157 V HN 0.199 nan 8.190 nan 0.000 0.426 158 A N 5.353 128.167 122.820 -0.010 0.000 2.330 158 A HA 0.710 5.048 4.320 0.029 0.000 0.313 158 A C -0.545 177.041 177.584 0.003 0.000 1.124 158 A CA -0.742 51.295 52.037 -0.001 0.000 0.774 158 A CB 1.250 20.253 19.000 0.004 0.000 1.198 158 A HN 0.951 nan 8.150 nan 0.000 0.465 159 K N 3.354 123.757 120.400 0.005 0.000 2.379 159 K HA 0.450 4.787 4.320 0.029 0.000 0.284 159 K C -0.271 176.334 176.600 0.008 0.000 1.044 159 K CA -0.076 56.214 56.287 0.005 0.000 0.974 159 K CB 0.096 32.599 32.500 0.006 0.000 0.962 159 K HN 0.702 nan 8.250 nan 0.000 0.474 160 I N -0.566 120.009 120.570 0.008 0.000 3.170 160 I HA 0.391 4.579 4.170 0.029 0.000 0.312 160 I C -0.237 175.886 176.117 0.010 0.000 1.085 160 I CA -1.302 60.005 61.300 0.012 0.000 0.999 160 I CB 1.259 39.267 38.000 0.014 0.000 1.233 160 I HN 0.512 nan 8.210 nan 0.000 0.467 161 D N 1.862 122.270 120.400 0.013 0.000 2.571 161 D HA 0.022 4.679 4.640 0.029 0.000 0.231 161 D C 1.030 177.335 176.300 0.009 0.000 1.133 161 D CA 0.742 54.748 54.000 0.010 0.000 0.862 161 D CB 1.644 42.452 40.800 0.013 0.000 1.179 161 D HN 0.730 nan 8.370 nan 0.000 0.474 162 A N 3.639 126.462 122.820 0.004 0.000 2.067 162 A HA 0.060 4.398 4.320 0.029 0.000 0.219 162 A C 1.799 179.385 177.584 0.004 0.000 1.158 162 A CA 1.565 53.603 52.037 0.003 0.000 0.661 162 A CB -0.146 18.855 19.000 0.001 0.000 0.801 162 A HN 0.595 nan 8.150 nan 0.000 0.452 163 A N 0.024 122.847 122.820 0.004 0.000 2.308 163 A HA 0.421 4.758 4.320 0.029 0.000 0.217 163 A C 1.021 178.615 177.584 0.016 0.000 1.216 163 A CA 0.437 52.477 52.037 0.005 0.000 0.864 163 A CB -0.436 18.562 19.000 -0.004 0.000 0.902 163 A HN 0.452 nan 8.150 nan 0.000 0.499 164 S N 1.856 117.572 115.700 0.026 0.000 2.572 164 S HA 0.396 4.883 4.470 0.029 0.000 0.279 164 S C -2.737 171.890 174.600 0.045 0.000 1.341 164 S CA -1.129 57.103 58.200 0.052 0.000 1.043 164 S CB 0.232 63.465 63.200 0.055 0.000 0.887 164 S HN 0.296 nan 8.310 nan 0.000 0.516 165 P HA 0.259 nan 4.420 nan 0.000 0.280 165 P C 0.561 177.870 177.300 0.015 0.000 1.386 165 P CA -0.436 62.694 63.100 0.052 0.000 0.899 165 P CB 0.404 32.159 31.700 0.091 0.000 1.098 166 L N 2.516 123.743 121.223 0.007 0.000 2.131 166 L HA -0.171 4.187 4.340 0.029 0.000 0.210 166 L C 2.305 179.173 176.870 -0.004 0.000 1.092 166 L CA 1.524 56.362 54.840 -0.004 0.000 0.759 166 L CB -0.688 41.372 42.059 0.002 0.000 0.903 166 L HN 0.390 nan 8.230 nan 0.000 0.435 167 E N 0.352 120.556 120.200 0.006 0.000 2.478 167 E HA -0.161 4.207 4.350 0.029 0.000 0.198 167 E C 1.278 177.867 176.600 -0.018 0.000 1.046 167 E CA 0.790 57.195 56.400 0.008 0.000 0.870 167 E CB 0.098 29.809 29.700 0.018 0.000 0.818 167 E HN 0.449 nan 8.360 nan 0.000 0.527 168 K N 0.647 121.013 120.400 -0.057 0.000 2.312 168 K HA 0.077 4.414 4.320 0.029 0.000 0.206 168 K C 2.305 178.751 176.600 -0.256 0.000 1.121 168 K CA 1.145 57.348 56.287 -0.140 0.000 0.923 168 K CB -0.530 31.884 32.500 -0.143 0.000 1.162 168 K HN 0.149 nan 8.250 nan 0.000 0.478 169 V N 1.304 121.053 119.914 -0.275 0.000 3.186 169 V HA -0.190 3.948 4.120 0.029 0.000 0.270 169 V C 2.410 178.437 176.094 -0.111 0.000 1.149 169 V CA 1.478 63.616 62.300 -0.271 0.000 1.160 169 V CB -2.015 29.692 31.823 -0.192 0.000 0.758 169 V HN 0.336 nan 8.190 nan 0.000 0.516 170 C N -0.348 118.916 119.300 -0.059 0.000 2.422 170 C HA 0.005 4.483 4.460 0.029 0.000 0.279 170 C C 2.434 177.439 174.990 0.025 0.000 1.305 170 C CA 0.550 59.569 59.018 0.000 0.000 1.757 170 C CB -1.820 25.932 27.740 0.020 0.000 1.962 170 C HN 0.564 nan 8.230 nan 0.000 0.499 171 L N 0.893 122.115 121.223 -0.002 0.000 2.187 171 L HA -0.083 4.275 4.340 0.029 0.000 0.213 171 L C 2.652 179.608 176.870 0.143 0.000 1.100 171 L CA 1.411 56.287 54.840 0.060 0.000 0.765 171 L CB -0.601 41.480 42.059 0.037 0.000 0.904 171 L HN 0.338 nan 8.230 nan 0.000 0.437 172 I N 0.016 120.648 120.570 0.103 0.000 2.916 172 I HA -0.137 4.050 4.170 0.029 0.000 0.267 172 I C 2.374 178.671 176.117 0.300 0.000 1.263 172 I CA 0.938 62.349 61.300 0.187 0.000 1.471 172 I CB -0.573 37.483 38.000 0.093 0.000 1.089 172 I HN 0.250 nan 8.210 nan 0.000 0.468 173 G N -0.808 108.151 108.800 0.265 0.000 2.572 173 G HA2 -0.108 3.870 3.960 0.029 0.000 0.216 173 G HA3 -0.108 3.870 3.960 0.029 0.000 0.216 173 G C 1.027 176.219 174.900 0.486 0.000 1.133 173 G CA 0.790 46.055 45.100 0.276 0.000 0.791 173 G HN 0.479 nan 8.290 nan 0.000 0.538 174 C N -2.583 117.039 119.300 0.536 0.000 3.404 174 C HA 0.480 4.957 4.460 0.029 0.000 0.115 174 C C 2.860 178.126 174.990 0.460 0.000 2.694 174 C CA 1.474 60.895 59.018 0.672 0.000 0.824 174 C CB -0.365 27.626 27.740 0.418 0.000 1.534 174 C HN 0.389 nan 8.230 nan 0.000 0.643 175 G N 0.976 109.945 108.800 0.282 0.000 2.681 175 G HA2 -0.333 3.644 3.960 0.029 0.000 0.220 175 G HA3 -0.333 3.644 3.960 0.029 0.000 0.220 175 G C 1.334 176.324 174.900 0.151 0.000 1.210 175 G CA 1.895 47.112 45.100 0.195 0.000 0.783 175 G HN 0.658 nan 8.290 nan 0.000 0.609 176 F N 2.127 122.101 119.950 0.041 0.000 2.046 176 F HA -0.116 4.424 4.527 0.021 0.000 0.297 176 F C 3.064 178.826 175.800 -0.064 0.000 1.123 176 F CA 2.156 60.128 58.000 -0.046 0.000 1.199 176 F CB -0.611 38.301 39.000 -0.147 0.000 0.972 176 F HN 0.185 nan 8.300 nan 0.000 0.474 177 S N -0.275 115.348 115.700 -0.129 0.000 2.365 177 S HA -0.240 4.247 4.470 0.029 0.000 0.225 177 S C 1.987 176.451 174.600 -0.226 0.000 1.039 177 S CA 1.874 59.889 58.200 -0.309 0.000 1.033 177 S CB -0.998 61.877 63.200 -0.541 0.000 0.887 177 S HN 0.517 nan 8.310 nan 0.000 0.447 178 T N 1.682 116.170 114.554 -0.110 0.000 2.635 178 T HA -0.109 4.259 4.350 0.029 0.000 0.267 178 T C 2.055 176.700 174.700 -0.093 0.000 1.040 178 T CA 1.583 63.678 62.100 -0.008 0.000 1.156 178 T CB -1.039 67.946 68.868 0.196 0.000 0.863 178 T HN 0.573 nan 8.240 nan 0.000 0.430 179 G N -0.421 108.304 108.800 -0.125 0.000 2.453 179 G HA2 -0.247 3.730 3.960 0.029 0.000 0.215 179 G HA3 -0.247 3.730 3.960 0.029 0.000 0.215 179 G C 1.378 176.109 174.900 -0.281 0.000 1.201 179 G CA 0.898 45.890 45.100 -0.180 0.000 0.784 179 G HN 0.504 nan 8.290 nan 0.000 0.545 180 Y N 1.835 121.785 120.300 -0.583 0.000 2.097 180 Y HA -0.111 4.455 4.550 0.026 0.000 0.282 180 Y C 2.915 178.597 175.900 -0.364 0.000 1.152 180 Y CA 1.939 59.691 58.100 -0.580 0.000 1.136 180 Y CB -0.548 37.256 38.460 -1.094 0.000 0.975 180 Y HN 0.151 nan 8.280 nan 0.000 0.498 181 G N -1.587 107.089 108.800 -0.207 0.000 2.422 181 G HA2 -0.242 3.735 3.960 0.029 0.000 0.218 181 G HA3 -0.242 3.735 3.960 0.029 0.000 0.218 181 G C 1.874 176.525 174.900 -0.414 0.000 1.146 181 G CA 1.032 45.801 45.100 -0.551 0.000 0.769 181 G HN 0.431 nan 8.290 nan 0.000 0.547 182 S N 0.946 116.485 115.700 -0.269 0.000 2.365 182 S HA -0.105 4.383 4.470 0.029 0.000 0.225 182 S C 2.751 177.351 174.600 0.001 0.000 1.039 182 S CA 1.456 59.603 58.200 -0.090 0.000 1.033 182 S CB -0.378 62.831 63.200 0.015 0.000 0.887 182 S HN 0.616 nan 8.310 nan 0.000 0.447 183 A N 0.790 123.465 122.820 -0.242 0.000 1.840 183 A HA 0.025 4.363 4.320 0.029 0.000 0.214 183 A C 2.325 179.761 177.584 -0.247 0.000 1.198 183 A CA 1.404 53.292 52.037 -0.248 0.000 0.608 183 A CB -0.880 17.790 19.000 -0.550 0.000 0.839 183 A HN 0.334 nan 8.150 nan 0.000 0.443 184 V N -0.178 119.507 119.914 -0.382 0.000 2.667 184 V HA -0.117 4.021 4.120 0.029 0.000 0.252 184 V C 2.390 178.343 176.094 -0.235 0.000 1.065 184 V CA 2.288 64.392 62.300 -0.327 0.000 1.083 184 V CB -0.404 31.151 31.823 -0.446 0.000 0.692 184 V HN 0.652 nan 8.190 nan 0.000 0.468 185 K N -0.872 119.364 120.400 -0.273 0.000 2.329 185 K HA 0.074 4.411 4.320 0.029 0.000 0.198 185 K C 1.830 178.327 176.600 -0.171 0.000 1.085 185 K CA 0.569 56.710 56.287 -0.244 0.000 0.961 185 K CB 0.675 32.914 32.500 -0.434 0.000 0.971 185 K HN 0.251 nan 8.250 nan 0.000 0.502 186 V N 0.811 120.632 119.914 -0.156 0.000 2.436 186 V HA 0.041 4.178 4.120 0.029 0.000 0.240 186 V C 2.254 178.337 176.094 -0.019 0.000 1.040 186 V CA 1.631 63.887 62.300 -0.074 0.000 1.052 186 V CB -0.042 31.746 31.823 -0.058 0.000 0.707 186 V HN 0.357 nan 8.190 nan 0.000 0.469 187 A N -0.982 121.843 122.820 0.008 0.000 1.898 187 A HA -0.110 4.228 4.320 0.029 0.000 0.216 187 A C 1.294 178.824 177.584 -0.090 0.000 1.181 187 A CA 1.268 53.311 52.037 0.010 0.000 0.620 187 A CB -0.349 18.657 19.000 0.011 0.000 0.819 187 A HN 0.565 nan 8.150 nan 0.000 0.442 188 K N -0.998 119.293 120.400 -0.183 0.000 3.372 188 K HA -0.102 4.235 4.320 0.029 0.000 0.272 188 K C -0.509 175.855 176.600 -0.393 0.000 1.037 188 K CA 0.274 56.446 56.287 -0.192 0.000 0.777 188 K CB -2.067 30.395 32.500 -0.062 0.000 1.347 188 K HN 0.262 nan 8.250 nan 0.000 0.460 189 V N 1.521 121.031 119.914 -0.674 0.000 2.720 189 V HA -0.079 4.058 4.120 0.029 0.000 0.307 189 V C 1.326 177.182 176.094 -0.396 0.000 1.071 189 V CA 1.118 62.820 62.300 -0.997 0.000 1.199 189 V CB 0.813 32.289 31.823 -0.579 0.000 0.900 189 V HN 0.537 nan 8.190 nan 0.000 0.494 190 T N 2.683 117.145 114.554 -0.154 0.000 2.952 190 T HA 0.435 4.802 4.350 0.029 0.000 0.286 190 T C -0.299 174.431 174.700 0.051 0.000 1.024 190 T CA -0.796 61.326 62.100 0.037 0.000 1.029 190 T CB 1.340 70.311 68.868 0.173 0.000 1.094 190 T HN 0.639 nan 8.240 nan 0.000 0.515 191 Q N -0.018 119.802 119.800 0.033 0.000 2.300 191 Q HA 0.365 4.723 4.340 0.029 0.000 0.280 191 Q C 1.392 177.421 176.000 0.048 0.000 1.033 191 Q CA 1.292 57.113 55.803 0.030 0.000 0.903 191 Q CB -0.173 28.576 28.738 0.019 0.000 1.195 191 Q HN 1.268 nan 8.270 nan 0.000 0.386 192 G N 2.405 111.234 108.800 0.048 0.000 2.179 192 G HA2 -0.327 3.651 3.960 0.029 0.000 0.260 192 G HA3 -0.327 3.651 3.960 0.029 0.000 0.260 192 G C 0.161 175.105 174.900 0.073 0.000 0.977 192 G CA 0.422 45.551 45.100 0.050 0.000 0.641 192 G HN 0.853 nan 8.290 nan 0.000 0.533 193 S N -0.596 115.175 115.700 0.119 0.000 2.617 193 S HA 0.653 5.140 4.470 0.029 0.000 0.259 193 S C 0.163 174.860 174.600 0.162 0.000 1.301 193 S CA 0.665 58.972 58.200 0.178 0.000 0.984 193 S CB 1.653 65.070 63.200 0.362 0.000 0.954 193 S HN 0.597 nan 8.310 nan 0.000 0.572 194 T N 0.960 115.615 114.554 0.167 0.000 2.797 194 T HA 0.561 4.929 4.350 0.029 0.000 0.279 194 T C -0.583 174.235 174.700 0.196 0.000 0.991 194 T CA -0.449 61.730 62.100 0.132 0.000 0.979 194 T CB 0.373 69.288 68.868 0.078 0.000 0.943 194 T HN 0.770 nan 8.240 nan 0.000 0.444 195 C N 2.591 122.004 119.300 0.189 0.000 2.529 195 C HA 0.944 5.421 4.460 0.029 0.000 0.329 195 C C 0.212 175.317 174.990 0.191 0.000 1.194 195 C CA -0.736 58.444 59.018 0.270 0.000 1.779 195 C CB 0.952 28.867 27.740 0.292 0.000 2.322 195 C HN 1.006 nan 8.230 nan 0.000 0.500 196 A N 1.885 124.859 122.820 0.256 0.000 2.353 196 A HA 0.744 5.082 4.320 0.029 0.000 0.299 196 A C -1.193 176.573 177.584 0.304 0.000 1.089 196 A CA -0.252 51.877 52.037 0.153 0.000 0.736 196 A CB 0.824 19.898 19.000 0.123 0.000 1.195 196 A HN 0.720 nan 8.150 nan 0.000 0.447 197 V N 3.019 123.023 119.914 0.151 0.000 2.350 197 V HA 0.387 4.524 4.120 0.029 0.000 0.285 197 V C -1.100 175.058 176.094 0.107 0.000 1.014 197 V CA -0.249 62.184 62.300 0.221 0.000 0.831 197 V CB 0.580 32.454 31.823 0.086 0.000 1.000 197 V HN 0.708 nan 8.190 nan 0.000 0.433 198 F N 3.119 123.160 119.950 0.152 0.000 2.390 198 F HA 0.710 5.255 4.527 0.028 0.000 0.361 198 F C 0.939 176.814 175.800 0.125 0.000 1.124 198 F CA -0.030 58.046 58.000 0.127 0.000 1.149 198 F CB 1.418 40.489 39.000 0.118 0.000 1.160 198 F HN 0.749 nan 8.300 nan 0.000 0.501 199 G N 4.185 113.128 108.800 0.237 0.000 3.448 199 G HA2 -0.116 3.862 3.960 0.029 0.000 0.685 199 G HA3 -0.116 3.862 3.960 0.029 0.000 0.685 199 G C -0.756 174.230 174.900 0.144 0.000 1.151 199 G CA -1.100 44.113 45.100 0.188 0.000 1.023 199 G HN 0.671 nan 8.290 nan 0.000 0.499 200 L N 2.667 123.971 121.223 0.135 0.000 3.034 200 L HA 0.450 4.808 4.340 0.029 0.000 0.245 200 L C 1.674 178.603 176.870 0.099 0.000 1.295 200 L CA 0.167 55.078 54.840 0.120 0.000 1.068 200 L CB 0.149 42.305 42.059 0.161 0.000 1.426 200 L HN 0.735 nan 8.230 nan 0.000 0.531 201 G N -0.596 108.257 108.800 0.089 0.000 2.494 201 G HA2 0.317 4.294 3.960 0.029 0.000 0.270 201 G HA3 0.317 4.294 3.960 0.029 0.000 0.270 201 G C 1.079 176.022 174.900 0.073 0.000 1.423 201 G CA 0.199 45.343 45.100 0.072 0.000 1.055 201 G HN 0.245 nan 8.290 nan 0.000 0.536 202 G N -1.261 107.579 108.800 0.066 0.000 2.440 202 G HA2 -0.170 3.808 3.960 0.029 0.000 0.218 202 G HA3 -0.170 3.808 3.960 0.029 0.000 0.218 202 G C 1.620 176.569 174.900 0.080 0.000 1.154 202 G CA 1.576 46.721 45.100 0.076 0.000 0.767 202 G HN 0.424 nan 8.290 nan 0.000 0.552 203 V N 1.370 121.328 119.914 0.073 0.000 2.453 203 V HA 0.016 4.154 4.120 0.029 0.000 0.247 203 V C 3.117 179.228 176.094 0.028 0.000 1.048 203 V CA 1.685 64.019 62.300 0.057 0.000 1.049 203 V CB -0.976 30.892 31.823 0.076 0.000 0.672 203 V HN 0.429 nan 8.190 nan 0.000 0.457 204 G N 0.377 109.207 108.800 0.051 0.000 2.440 204 G HA2 -0.216 3.762 3.960 0.029 0.000 0.218 204 G HA3 -0.216 3.762 3.960 0.029 0.000 0.218 204 G C 1.578 176.484 174.900 0.011 0.000 1.154 204 G CA 1.017 46.141 45.100 0.039 0.000 0.767 204 G HN 0.483 nan 8.290 nan 0.000 0.552 205 L N 0.998 122.248 121.223 0.045 0.000 2.093 205 L HA -0.048 4.310 4.340 0.029 0.000 0.208 205 L C 3.068 179.973 176.870 0.057 0.000 1.085 205 L CA 1.248 56.123 54.840 0.058 0.000 0.755 205 L CB -0.256 41.855 42.059 0.087 0.000 0.904 205 L HN 0.157 nan 8.230 nan 0.000 0.435 206 S N -0.810 114.919 115.700 0.049 0.000 2.428 206 S HA -0.073 4.415 4.470 0.029 0.000 0.230 206 S C 2.025 176.565 174.600 -0.099 0.000 1.014 206 S CA 0.670 58.888 58.200 0.028 0.000 0.957 206 S CB -0.102 63.072 63.200 -0.044 0.000 0.784 206 S HN 0.153 nan 8.310 nan 0.000 0.499 207 V N 2.309 122.121 119.914 -0.171 0.000 2.379 207 V HA -0.107 4.030 4.120 0.029 0.000 0.245 207 V C 2.128 178.024 176.094 -0.329 0.000 1.044 207 V CA 1.311 63.388 62.300 -0.371 0.000 1.036 207 V CB -0.615 30.912 31.823 -0.494 0.000 0.664 207 V HN 0.449 nan 8.190 nan 0.000 0.453 208 I N -0.538 119.930 120.570 -0.170 0.000 2.151 208 I HA -0.361 3.827 4.170 0.029 0.000 0.243 208 I C 2.563 178.649 176.117 -0.052 0.000 1.080 208 I CA 2.030 63.271 61.300 -0.097 0.000 1.339 208 I CB -0.329 37.658 38.000 -0.020 0.000 1.039 208 I HN 0.292 nan 8.210 nan 0.000 0.409 209 M N 0.124 119.743 119.600 0.032 0.000 2.149 209 M HA -0.159 4.338 4.480 0.029 0.000 0.261 209 M C 2.310 178.656 176.300 0.077 0.000 1.064 209 M CA 2.057 57.450 55.300 0.155 0.000 1.102 209 M CB -0.818 31.996 32.600 0.356 0.000 1.369 209 M HN 0.386 nan 8.290 nan 0.000 0.408 210 G N -0.784 107.902 108.800 -0.190 0.000 2.403 210 G HA2 -0.170 3.808 3.960 0.029 0.000 0.216 210 G HA3 -0.170 3.808 3.960 0.029 0.000 0.216 210 G C 1.500 176.176 174.900 -0.373 0.000 1.154 210 G CA 0.721 45.431 45.100 -0.651 0.000 0.784 210 G HN 0.450 nan 8.290 nan 0.000 0.538 211 C N 0.052 119.186 119.300 -0.277 0.000 2.429 211 C HA 0.047 4.525 4.460 0.029 0.000 0.277 211 C C 2.746 177.680 174.990 -0.092 0.000 1.262 211 C CA 1.257 60.168 59.018 -0.180 0.000 1.733 211 C CB -0.547 27.113 27.740 -0.133 0.000 2.010 211 C HN 0.579 nan 8.230 nan 0.000 0.483 212 K N 1.189 121.559 120.400 -0.050 0.000 2.026 212 K HA -0.104 4.234 4.320 0.029 0.000 0.208 212 K C 2.068 178.677 176.600 0.016 0.000 1.048 212 K CA 1.629 57.919 56.287 0.005 0.000 0.929 212 K CB -0.327 32.197 32.500 0.041 0.000 0.713 212 K HN 0.374 nan 8.250 nan 0.000 0.439 213 A N 0.699 123.534 122.820 0.024 0.000 2.019 213 A HA -0.043 4.294 4.320 0.029 0.000 0.219 213 A C 2.178 179.757 177.584 -0.008 0.000 1.164 213 A CA 1.669 53.739 52.037 0.056 0.000 0.644 213 A CB -0.646 18.446 19.000 0.153 0.000 0.805 213 A HN 0.475 nan 8.150 nan 0.000 0.449 214 A N -1.860 120.912 122.820 -0.080 0.000 2.206 214 A HA 0.392 4.730 4.320 0.029 0.000 0.211 214 A C 1.781 179.341 177.584 -0.039 0.000 1.158 214 A CA 1.273 53.260 52.037 -0.084 0.000 0.761 214 A CB -0.821 18.084 19.000 -0.159 0.000 0.801 214 A HN 1.869 nan 8.150 nan 0.000 0.473 215 G N -2.026 106.765 108.800 -0.016 0.000 2.131 215 G HA2 0.133 4.111 3.960 0.029 0.000 0.223 215 G HA3 0.133 4.111 3.960 0.029 0.000 0.223 215 G C 0.433 175.342 174.900 0.014 0.000 0.990 215 G CA 0.216 45.319 45.100 0.006 0.000 0.671 215 G HN 1.579 nan 8.290 nan 0.000 0.521 216 A N -0.186 122.639 122.820 0.009 0.000 2.555 216 A HA 0.688 5.026 4.320 0.029 0.000 0.233 216 A C 1.681 179.289 177.584 0.040 0.000 1.060 216 A CA 1.208 53.269 52.037 0.041 0.000 0.759 216 A CB 0.385 19.413 19.000 0.046 0.000 0.995 216 A HN 1.815 nan 8.150 nan 0.000 0.506 217 A N 2.537 125.387 122.820 0.051 0.000 1.943 217 A HA 0.232 4.570 4.320 0.029 0.000 0.213 217 A C 1.177 178.782 177.584 0.036 0.000 1.181 217 A CA 0.684 52.744 52.037 0.039 0.000 0.653 217 A CB 0.103 19.126 19.000 0.039 0.000 0.833 217 A HN 0.781 nan 8.150 nan 0.000 0.451 218 R N -1.188 119.340 120.500 0.046 0.000 2.686 218 R HA 0.715 5.073 4.340 0.029 0.000 0.283 218 R C -1.799 174.525 176.300 0.041 0.000 0.978 218 R CA -0.419 55.701 56.100 0.033 0.000 0.897 218 R CB 1.875 32.191 30.300 0.027 0.000 1.192 218 R HN 0.195 nan 8.270 nan 0.000 0.457 219 I N 3.856 124.437 120.570 0.019 0.000 2.560 219 I HA 0.293 4.481 4.170 0.029 0.000 0.278 219 I C -0.722 175.383 176.117 -0.020 0.000 1.089 219 I CA -0.346 60.965 61.300 0.018 0.000 1.086 219 I CB 1.610 39.614 38.000 0.008 0.000 1.202 219 I HN 0.417 nan 8.210 nan 0.000 0.471 220 I N 5.096 125.649 120.570 -0.030 0.000 2.312 220 I HA 0.358 4.546 4.170 0.029 0.000 0.291 220 I C 1.048 177.087 176.117 -0.130 0.000 1.031 220 I CA -0.056 61.188 61.300 -0.094 0.000 1.293 220 I CB 1.079 39.017 38.000 -0.104 0.000 1.403 220 I HN 0.569 nan 8.210 nan 0.000 0.484 221 G N 5.876 114.572 108.800 -0.174 0.000 2.353 221 G HA2 0.526 4.504 3.960 0.029 0.000 0.284 221 G HA3 0.526 4.504 3.960 0.029 0.000 0.284 221 G C -0.643 174.125 174.900 -0.220 0.000 1.172 221 G CA -0.241 44.762 45.100 -0.161 0.000 0.854 221 G HN 0.373 nan 8.290 nan 0.000 0.485 222 V N 3.170 122.978 119.914 -0.177 0.000 2.540 222 V HA 0.593 4.730 4.120 0.029 0.000 0.302 222 V C -0.793 175.351 176.094 0.083 0.000 1.035 222 V CA -0.684 61.511 62.300 -0.175 0.000 0.873 222 V CB 1.892 33.372 31.823 -0.571 0.000 0.992 222 V HN 0.820 nan 8.190 nan 0.000 0.428 223 D N 2.392 122.960 120.400 0.280 0.000 2.769 223 D HA 0.317 4.975 4.640 0.029 0.000 0.219 223 D C 0.365 176.788 176.300 0.204 0.000 1.245 223 D CA -0.447 53.710 54.000 0.263 0.000 0.801 223 D CB 2.384 43.362 40.800 0.298 0.000 1.598 223 D HN 0.493 nan 8.370 nan 0.000 0.485 224 I N -0.318 120.324 120.570 0.120 0.000 3.684 224 I HA 0.241 4.429 4.170 0.029 0.000 0.304 224 I C 0.517 176.620 176.117 -0.022 0.000 1.278 224 I CA 0.011 61.356 61.300 0.074 0.000 1.272 224 I CB -0.054 37.994 38.000 0.080 0.000 1.029 224 I HN -0.047 nan 8.210 nan 0.000 0.458 225 N N 2.909 121.559 118.700 -0.083 0.000 2.609 225 N HA 0.116 4.874 4.740 0.029 0.000 0.234 225 N C 0.948 176.194 175.510 -0.439 0.000 1.001 225 N CA -0.391 52.560 53.050 -0.165 0.000 0.926 225 N CB 1.053 39.485 38.487 -0.091 0.000 1.130 225 N HN 0.403 nan 8.380 nan 0.000 0.510 226 K N 1.515 121.583 120.400 -0.553 0.000 2.211 226 K HA -0.116 4.222 4.320 0.029 0.000 0.204 226 K C 0.088 176.293 176.600 -0.659 0.000 1.047 226 K CA 1.224 56.915 56.287 -0.994 0.000 0.935 226 K CB 0.172 32.365 32.500 -0.512 0.000 0.728 226 K HN 0.218 nan 8.250 nan 0.000 0.452 227 D N 1.261 121.472 120.400 -0.314 0.000 2.351 227 D HA -0.086 4.572 4.640 0.029 0.000 0.216 227 D C 1.209 177.455 176.300 -0.091 0.000 0.968 227 D CA 0.804 54.715 54.000 -0.150 0.000 0.899 227 D CB 0.124 40.876 40.800 -0.080 0.000 0.907 227 D HN 0.302 nan 8.370 nan 0.000 0.514 228 K N -0.079 120.242 120.400 -0.132 0.000 2.400 228 K HA 0.030 4.368 4.320 0.029 0.000 0.194 228 K C 1.659 178.387 176.600 0.214 0.000 1.033 228 K CA -0.037 56.275 56.287 0.041 0.000 1.021 228 K CB -0.095 32.447 32.500 0.069 0.000 0.808 228 K HN 0.137 nan 8.250 nan 0.000 0.505 229 F N 1.965 121.930 119.950 0.026 0.000 2.126 229 F HA -0.147 4.398 4.527 0.029 0.000 0.299 229 F C 2.530 178.344 175.800 0.022 0.000 1.096 229 F CA 0.577 58.590 58.000 0.023 0.000 1.255 229 F CB -1.458 37.554 39.000 0.021 0.000 0.997 229 F HN 0.005 nan 8.300 nan 0.000 0.479 230 A N 0.182 123.131 122.820 0.216 0.000 1.859 230 A HA -0.298 4.039 4.320 0.029 0.000 0.217 230 A C 2.274 179.917 177.584 0.099 0.000 1.198 230 A CA 2.438 54.551 52.037 0.125 0.000 0.629 230 A CB -0.829 18.222 19.000 0.086 0.000 0.830 230 A HN 0.235 nan 8.150 nan 0.000 0.446 231 K N 0.216 120.675 120.400 0.097 0.000 2.097 231 K HA 0.015 4.352 4.320 0.029 0.000 0.206 231 K C 1.968 178.620 176.600 0.086 0.000 1.049 231 K CA 1.793 58.129 56.287 0.082 0.000 0.933 231 K CB -0.763 31.782 32.500 0.076 0.000 0.717 231 K HN 0.348 nan 8.250 nan 0.000 0.442 232 A N 0.812 123.696 122.820 0.108 0.000 1.883 232 A HA -0.207 4.131 4.320 0.029 0.000 0.217 232 A C 2.076 179.693 177.584 0.055 0.000 1.186 232 A CA 2.153 54.242 52.037 0.086 0.000 0.624 232 A CB -0.554 18.511 19.000 0.109 0.000 0.822 232 A HN 0.397 nan 8.150 nan 0.000 0.444 233 K N -0.139 120.296 120.400 0.057 0.000 2.057 233 K HA -0.151 4.186 4.320 0.029 0.000 0.207 233 K C 1.938 178.562 176.600 0.040 0.000 1.049 233 K CA 1.694 58.001 56.287 0.033 0.000 0.931 233 K CB -0.189 32.331 32.500 0.034 0.000 0.714 233 K HN 0.684 nan 8.250 nan 0.000 0.440 234 E N 0.246 120.477 120.200 0.052 0.000 2.118 234 E HA -0.166 4.202 4.350 0.029 0.000 0.195 234 E C 1.699 178.332 176.600 0.055 0.000 0.992 234 E CA 1.592 58.022 56.400 0.050 0.000 0.804 234 E CB -0.118 29.612 29.700 0.051 0.000 0.741 234 E HN 0.284 nan 8.360 nan 0.000 0.458 235 V N -2.901 117.051 119.914 0.063 0.000 3.646 235 V HA 0.405 4.543 4.120 0.029 0.000 0.277 235 V C 1.150 177.282 176.094 0.064 0.000 1.274 235 V CA 0.696 63.042 62.300 0.075 0.000 1.164 235 V CB 0.102 31.983 31.823 0.097 0.000 0.926 235 V HN 0.322 nan 8.190 nan 0.000 0.442 236 G N -0.727 108.100 108.800 0.044 0.000 2.672 236 G HA2 0.100 4.078 3.960 0.029 0.000 0.197 236 G HA3 0.100 4.078 3.960 0.029 0.000 0.197 236 G C 0.436 175.345 174.900 0.014 0.000 0.995 236 G CA -0.033 45.087 45.100 0.032 0.000 0.754 236 G HN 1.373 nan 8.290 nan 0.000 0.505 237 A N 1.213 124.037 122.820 0.008 0.000 2.520 237 A HA 0.547 4.884 4.320 0.029 0.000 0.245 237 A C 1.645 179.216 177.584 -0.021 0.000 1.072 237 A CA 1.676 53.703 52.037 -0.017 0.000 0.761 237 A CB 0.260 19.236 19.000 -0.040 0.000 1.004 237 A HN 1.310 nan 8.150 nan 0.000 0.499 238 T N -0.123 114.415 114.554 -0.026 0.000 3.051 238 T HA 0.257 4.625 4.350 0.029 0.000 0.255 238 T C 0.419 175.093 174.700 -0.044 0.000 1.085 238 T CA 0.961 63.048 62.100 -0.022 0.000 1.109 238 T CB -0.061 68.802 68.868 -0.009 0.000 0.921 238 T HN 0.726 nan 8.240 nan 0.000 0.488 239 E N -1.099 119.053 120.200 -0.080 0.000 2.412 239 E HA 0.602 4.970 4.350 0.029 0.000 0.279 239 E C -1.803 174.662 176.600 -0.225 0.000 0.984 239 E CA -0.987 55.343 56.400 -0.118 0.000 0.788 239 E CB 2.402 32.047 29.700 -0.092 0.000 1.277 239 E HN 0.160 nan 8.360 nan 0.000 0.455 240 C N 1.534 120.614 119.300 -0.367 0.000 2.547 240 C HA 0.728 5.206 4.460 0.029 0.000 0.313 240 C C -0.826 173.757 174.990 -0.678 0.000 1.191 240 C CA -0.680 57.898 59.018 -0.733 0.000 1.474 240 C CB 0.944 27.789 27.740 -1.492 0.000 2.081 240 C HN 0.518 nan 8.230 nan 0.000 0.476 241 V N 1.272 120.898 119.914 -0.481 0.000 2.735 241 V HA 0.721 4.858 4.120 0.029 0.000 0.310 241 V C -0.854 175.362 176.094 0.204 0.000 1.061 241 V CA -0.478 61.785 62.300 -0.062 0.000 0.913 241 V CB 1.950 33.759 31.823 -0.024 0.000 1.005 241 V HN 0.819 nan 8.190 nan 0.000 0.428 242 N N 4.017 122.983 118.700 0.443 0.000 2.443 242 N HA 0.547 5.305 4.740 0.029 0.000 0.269 242 N C -2.044 173.690 175.510 0.374 0.000 0.985 242 N CA -2.395 50.917 53.050 0.437 0.000 0.921 242 N CB 2.377 41.087 38.487 0.372 0.000 1.195 242 N HN 0.337 nan 8.380 nan 0.000 0.492 243 P HA -0.131 nan 4.420 nan 0.000 0.218 243 P C 0.650 178.105 177.300 0.259 0.000 1.146 243 P CA 1.349 64.609 63.100 0.266 0.000 0.813 243 P CB 0.367 32.173 31.700 0.178 0.000 0.778 244 Q N -1.051 118.859 119.800 0.184 0.000 2.369 244 Q HA -0.102 4.256 4.340 0.029 0.000 0.206 244 Q C 1.003 177.051 176.000 0.080 0.000 0.963 244 Q CA 0.780 56.653 55.803 0.116 0.000 0.894 244 Q CB -0.297 28.487 28.738 0.076 0.000 0.965 244 Q HN 0.308 nan 8.270 nan 0.000 0.475 245 D N -0.833 119.606 120.400 0.064 0.000 2.347 245 D HA -0.015 4.642 4.640 0.029 0.000 0.213 245 D C -0.388 175.715 176.300 -0.329 0.000 0.985 245 D CA 0.680 54.592 54.000 -0.146 0.000 0.879 245 D CB 0.237 40.873 40.800 -0.274 0.000 0.919 245 D HN 0.151 nan 8.370 nan 0.000 0.526 246 Y N -0.011 120.312 120.300 0.039 0.000 2.528 246 Y HA 0.330 4.897 4.550 0.029 0.000 0.335 246 Y C 1.593 177.509 175.900 0.027 0.000 1.093 246 Y CA -0.808 57.310 58.100 0.030 0.000 1.134 246 Y CB 1.538 40.016 38.460 0.030 0.000 1.253 246 Y HN -0.433 nan 8.280 nan 0.000 0.478 247 K N 0.681 121.192 120.400 0.186 0.000 2.356 247 K HA 0.063 4.400 4.320 0.029 0.000 0.195 247 K C -0.180 176.482 176.600 0.104 0.000 1.037 247 K CA 0.400 56.753 56.287 0.109 0.000 1.014 247 K CB 0.303 32.843 32.500 0.068 0.000 0.815 247 K HN 0.578 nan 8.250 nan 0.000 0.507 248 K N 1.595 122.070 120.400 0.124 0.000 2.118 248 K HA 0.375 4.713 4.320 0.029 0.000 0.254 248 K C -2.877 173.756 176.600 0.056 0.000 0.961 248 K CA -2.340 53.989 56.287 0.070 0.000 0.876 248 K CB 0.602 33.131 32.500 0.048 0.000 1.077 248 K HN -0.321 nan 8.250 nan 0.000 0.440 249 P HA -0.067 nan 4.420 nan 0.000 0.264 249 P C 0.582 177.877 177.300 -0.009 0.000 1.183 249 P CA -0.206 62.907 63.100 0.023 0.000 0.763 249 P CB 0.285 31.991 31.700 0.011 0.000 0.807 250 I N 2.989 123.565 120.570 0.009 0.000 2.335 250 I HA -0.284 3.904 4.170 0.029 0.000 0.251 250 I C 2.161 178.268 176.117 -0.017 0.000 1.129 250 I CA 1.619 62.898 61.300 -0.035 0.000 1.402 250 I CB -0.665 37.367 38.000 0.053 0.000 1.069 250 I HN 0.420 nan 8.210 nan 0.000 0.424 251 Q N 0.063 119.882 119.800 0.033 0.000 2.170 251 Q HA -0.244 4.114 4.340 0.029 0.000 0.203 251 Q C 1.767 177.747 176.000 -0.034 0.000 0.976 251 Q CA 1.860 57.674 55.803 0.019 0.000 0.858 251 Q CB -0.763 27.970 28.738 -0.009 0.000 0.907 251 Q HN 0.618 nan 8.270 nan 0.000 0.433 252 E N 0.919 121.091 120.200 -0.047 0.000 2.072 252 E HA -0.102 4.266 4.350 0.029 0.000 0.191 252 E C 2.305 178.857 176.600 -0.080 0.000 0.985 252 E CA 1.279 57.646 56.400 -0.055 0.000 0.801 252 E CB -0.027 29.650 29.700 -0.040 0.000 0.750 252 E HN 0.143 nan 8.360 nan 0.000 0.452 253 V N 1.655 121.488 119.914 -0.134 0.000 2.252 253 V HA -0.297 3.841 4.120 0.029 0.000 0.249 253 V C 2.350 178.342 176.094 -0.169 0.000 1.056 253 V CA 1.766 63.933 62.300 -0.222 0.000 1.022 253 V CB -0.508 31.002 31.823 -0.522 0.000 0.641 253 V HN 0.256 nan 8.190 nan 0.000 0.445 254 L N -0.576 120.561 121.223 -0.144 0.000 2.141 254 L HA -0.144 4.214 4.340 0.029 0.000 0.209 254 L C 2.562 179.394 176.870 -0.064 0.000 1.094 254 L CA 1.703 56.486 54.840 -0.096 0.000 0.763 254 L CB -0.820 41.206 42.059 -0.056 0.000 0.908 254 L HN 0.359 nan 8.230 nan 0.000 0.437 255 T N -0.903 113.615 114.554 -0.060 0.000 2.777 255 T HA -0.147 4.220 4.350 0.029 0.000 0.266 255 T C 1.732 176.402 174.700 -0.051 0.000 1.040 255 T CA 1.162 63.227 62.100 -0.058 0.000 1.141 255 T CB -0.059 68.771 68.868 -0.063 0.000 0.868 255 T HN 0.379 nan 8.240 nan 0.000 0.444 256 E N 0.953 121.122 120.200 -0.051 0.000 2.031 256 E HA -0.081 4.287 4.350 0.029 0.000 0.193 256 E C 2.265 178.846 176.600 -0.032 0.000 0.994 256 E CA 1.132 57.510 56.400 -0.037 0.000 0.800 256 E CB -0.251 29.430 29.700 -0.032 0.000 0.752 256 E HN 0.458 nan 8.360 nan 0.000 0.447 257 M N 0.711 120.285 119.600 -0.043 0.000 2.195 257 M HA -0.144 4.353 4.480 0.029 0.000 0.260 257 M C 2.063 178.348 176.300 -0.024 0.000 1.066 257 M CA 1.470 56.750 55.300 -0.034 0.000 1.089 257 M CB -0.211 32.358 32.600 -0.053 0.000 1.377 257 M HN 0.036 nan 8.290 nan 0.000 0.411 258 S N -1.037 114.647 115.700 -0.027 0.000 2.577 258 S HA 0.174 4.662 4.470 0.029 0.000 0.219 258 S C 0.123 174.716 174.600 -0.011 0.000 0.962 258 S CA -0.354 57.838 58.200 -0.014 0.000 0.921 258 S CB -0.755 62.435 63.200 -0.016 0.000 0.789 258 S HN 0.597 nan 8.310 nan 0.000 0.497 259 N N 1.269 119.959 118.700 -0.016 0.000 2.714 259 N HA -0.144 4.613 4.740 0.029 0.000 0.253 259 N C 0.598 176.095 175.510 -0.021 0.000 1.024 259 N CA 0.246 53.288 53.050 -0.014 0.000 0.726 259 N CB -1.437 37.049 38.487 -0.002 0.000 0.908 259 N HN 0.803 nan 8.380 nan 0.000 0.542 260 G N -1.695 107.081 108.800 -0.039 0.000 2.205 260 G HA2 0.327 4.304 3.960 0.029 0.000 0.180 260 G HA3 0.327 4.304 3.960 0.029 0.000 0.180 260 G C 0.333 175.174 174.900 -0.097 0.000 1.004 260 G CA -0.003 45.059 45.100 -0.063 0.000 0.670 260 G HN 1.416 nan 8.290 nan 0.000 0.496 261 G N -1.542 107.210 108.800 -0.081 0.000 2.841 261 G HA2 0.474 4.452 3.960 0.029 0.000 0.684 261 G HA3 0.474 4.452 3.960 0.029 0.000 0.684 261 G C 0.125 174.974 174.900 -0.085 0.000 1.273 261 G CA 0.182 45.220 45.100 -0.103 0.000 0.811 261 G HN 1.932 nan 8.290 nan 0.000 0.631 262 V N -0.291 119.586 119.914 -0.061 0.000 3.185 262 V HA 0.500 4.638 4.120 0.029 0.000 0.305 262 V C 1.155 177.196 176.094 -0.089 0.000 1.090 262 V CA 0.876 63.158 62.300 -0.030 0.000 1.107 262 V CB 1.338 33.173 31.823 0.020 0.000 1.061 262 V HN 0.731 nan 8.190 nan 0.000 0.480 263 D N 0.927 121.276 120.400 -0.085 0.000 2.162 263 D HA 0.080 4.737 4.640 0.029 0.000 0.203 263 D C -0.106 175.717 176.300 -0.794 0.000 0.967 263 D CA 1.758 55.553 54.000 -0.341 0.000 0.840 263 D CB 0.148 40.738 40.800 -0.350 0.000 0.972 263 D HN 0.560 nan 8.370 nan 0.000 0.482 264 F N 0.442 120.398 119.950 0.011 0.000 2.539 264 F HA 0.239 4.785 4.527 0.032 0.000 0.318 264 F C 0.063 175.791 175.800 -0.119 0.000 1.135 264 F CA -0.982 56.965 58.000 -0.089 0.000 0.915 264 F CB 2.053 41.062 39.000 0.015 0.000 1.176 264 F HN -0.309 nan 8.300 nan 0.000 0.440 265 S N 1.823 117.440 115.700 -0.139 0.000 2.568 265 S HA 0.878 5.366 4.470 0.029 0.000 0.293 265 S C -1.341 173.081 174.600 -0.296 0.000 1.089 265 S CA -0.734 57.464 58.200 -0.003 0.000 0.945 265 S CB 1.896 65.151 63.200 0.092 0.000 1.077 265 S HN 0.318 nan 8.310 nan 0.000 0.485 266 F N 0.599 120.699 119.950 0.250 0.000 2.557 266 F HA 0.474 5.019 4.527 0.028 0.000 0.316 266 F C 0.059 175.989 175.800 0.216 0.000 1.141 266 F CA -0.559 57.556 58.000 0.193 0.000 0.922 266 F CB 2.001 41.089 39.000 0.146 0.000 1.194 266 F HN 0.621 nan 8.300 nan 0.000 0.443 267 E N 3.156 123.515 120.200 0.265 0.000 2.109 267 E HA 0.409 4.777 4.350 0.029 0.000 0.278 267 E C -0.883 175.845 176.600 0.213 0.000 0.954 267 E CA -0.175 56.333 56.400 0.180 0.000 0.779 267 E CB 1.635 31.365 29.700 0.051 0.000 1.093 267 E HN 0.501 nan 8.360 nan 0.000 0.401 268 V N 6.760 126.815 119.914 0.235 0.000 2.804 268 V HA 0.227 4.365 4.120 0.029 0.000 0.360 268 V C 0.869 177.065 176.094 0.171 0.000 1.282 268 V CA -0.056 62.356 62.300 0.186 0.000 1.274 268 V CB -0.480 31.445 31.823 0.169 0.000 1.415 268 V HN 0.621 nan 8.190 nan 0.000 0.610 269 I N 0.459 121.128 120.570 0.166 0.000 3.674 269 I HA 0.588 4.776 4.170 0.029 0.000 0.248 269 I C 1.504 177.716 176.117 0.159 0.000 1.134 269 I CA 0.737 62.133 61.300 0.160 0.000 1.519 269 I CB 0.615 38.713 38.000 0.163 0.000 1.598 269 I HN 0.422 nan 8.210 nan 0.000 0.442 270 G N 2.300 111.172 108.800 0.121 0.000 2.330 270 G HA2 -0.056 3.921 3.960 0.029 0.000 0.125 270 G HA3 -0.056 3.921 3.960 0.029 0.000 0.125 270 G C -0.352 174.576 174.900 0.047 0.000 1.060 270 G CA -0.726 44.428 45.100 0.089 0.000 0.743 270 G HN 0.188 nan 8.290 nan 0.000 0.480 271 R N -0.459 120.069 120.500 0.047 0.000 2.686 271 R HA 0.630 4.987 4.340 0.029 0.000 0.286 271 R C 1.414 177.726 176.300 0.020 0.000 0.969 271 R CA -0.987 55.132 56.100 0.031 0.000 0.898 271 R CB 1.547 31.875 30.300 0.046 0.000 1.183 271 R HN 0.075 nan 8.270 nan 0.000 0.456 272 L N 1.438 122.670 121.223 0.015 0.000 2.017 272 L HA -0.240 4.117 4.340 0.029 0.000 0.208 272 L C 1.920 178.806 176.870 0.027 0.000 1.073 272 L CA 1.638 56.491 54.840 0.022 0.000 0.745 272 L CB -0.415 41.654 42.059 0.017 0.000 0.894 272 L HN 0.771 nan 8.230 nan 0.000 0.432 273 D N -0.513 119.897 120.400 0.015 0.000 2.144 273 D HA -0.202 4.455 4.640 0.029 0.000 0.199 273 D C 1.881 178.162 176.300 -0.031 0.000 0.984 273 D CA 2.054 56.056 54.000 0.002 0.000 0.834 273 D CB -0.870 39.937 40.800 0.012 0.000 0.955 273 D HN 0.386 nan 8.370 nan 0.000 0.465 274 T N -1.720 112.810 114.554 -0.039 0.000 2.904 274 T HA -0.030 4.337 4.350 0.029 0.000 0.267 274 T C 2.258 176.821 174.700 -0.229 0.000 1.059 274 T CA 0.934 62.950 62.100 -0.141 0.000 1.137 274 T CB -0.418 68.418 68.868 -0.054 0.000 0.879 274 T HN 0.092 nan 8.240 nan 0.000 0.467 275 M N 0.924 120.485 119.600 -0.065 0.000 2.067 275 M HA -0.058 4.440 4.480 0.029 0.000 0.260 275 M C 2.510 178.843 176.300 0.056 0.000 1.069 275 M CA 1.428 56.761 55.300 0.055 0.000 1.117 275 M CB -0.590 32.110 32.600 0.167 0.000 1.334 275 M HN 0.133 nan 8.290 nan 0.000 0.407 276 V N -0.388 119.538 119.914 0.019 0.000 2.343 276 V HA -0.243 3.895 4.120 0.029 0.000 0.247 276 V C 2.298 178.265 176.094 -0.212 0.000 1.051 276 V CA 2.196 64.432 62.300 -0.107 0.000 1.036 276 V CB -1.159 30.631 31.823 -0.055 0.000 0.654 276 V HN 0.505 nan 8.190 nan 0.000 0.451 277 T N 0.486 114.918 114.554 -0.203 0.000 2.708 277 T HA -0.171 4.197 4.350 0.029 0.000 0.266 277 T C 2.064 176.566 174.700 -0.330 0.000 1.037 277 T CA 1.750 63.716 62.100 -0.224 0.000 1.146 277 T CB -0.421 68.337 68.868 -0.184 0.000 0.865 277 T HN 0.579 nan 8.240 nan 0.000 0.435 278 A N 0.893 123.366 122.820 -0.578 0.000 1.933 278 A HA 0.008 4.346 4.320 0.029 0.000 0.218 278 A C 2.222 179.643 177.584 -0.272 0.000 1.175 278 A CA 1.223 52.931 52.037 -0.547 0.000 0.628 278 A CB -0.688 17.936 19.000 -0.628 0.000 0.814 278 A HN 0.437 nan 8.150 nan 0.000 0.444 279 L N 0.047 121.060 121.223 -0.350 0.000 2.056 279 L HA -0.088 4.270 4.340 0.029 0.000 0.207 279 L C 2.500 179.146 176.870 -0.375 0.000 1.078 279 L CA 2.574 57.113 54.840 -0.500 0.000 0.749 279 L CB -0.491 40.949 42.059 -1.032 0.000 0.901 279 L HN 0.295 nan 8.230 nan 0.000 0.433 280 S N -0.775 114.742 115.700 -0.306 0.000 2.382 280 S HA -0.242 4.245 4.470 0.029 0.000 0.228 280 S C 2.195 176.701 174.600 -0.156 0.000 1.027 280 S CA 1.268 59.335 58.200 -0.221 0.000 0.991 280 S CB -1.314 61.786 63.200 -0.167 0.000 0.823 280 S HN 0.815 nan 8.310 nan 0.000 0.469 281 C N 2.283 121.521 119.300 -0.104 0.000 2.437 281 C HA 0.179 4.657 4.460 0.029 0.000 0.283 281 C C 1.673 176.619 174.990 -0.073 0.000 1.424 281 C CA -0.947 58.047 59.018 -0.040 0.000 1.782 281 C CB -2.290 25.506 27.740 0.095 0.000 1.833 281 C HN 0.695 nan 8.230 nan 0.000 0.532 282 C N 1.906 121.130 119.300 -0.125 0.000 2.536 282 C HA 0.380 4.857 4.460 0.029 0.000 0.396 282 C C 0.619 175.475 174.990 -0.224 0.000 1.279 282 C CA -0.616 58.303 59.018 -0.165 0.000 2.148 282 C CB -0.090 27.540 27.740 -0.183 0.000 2.584 282 C HN 0.686 nan 8.230 nan 0.000 0.579 283 Q N 2.488 122.120 119.800 -0.281 0.000 2.308 283 Q HA -0.065 4.292 4.340 0.029 0.000 0.313 283 Q C 1.518 177.264 176.000 -0.424 0.000 1.075 283 Q CA 1.205 56.763 55.803 -0.409 0.000 0.995 283 Q CB 0.571 28.910 28.738 -0.664 0.000 1.107 283 Q HN 1.064 nan 8.270 nan 0.000 0.380 284 E N 3.511 123.512 120.200 -0.332 0.000 2.219 284 E HA -0.233 4.135 4.350 0.029 0.000 0.198 284 E C 0.909 177.355 176.600 -0.258 0.000 0.998 284 E CA 1.499 57.742 56.400 -0.262 0.000 0.818 284 E CB 0.025 29.608 29.700 -0.195 0.000 0.741 284 E HN 0.599 nan 8.360 nan 0.000 0.477 285 A N 0.212 122.829 122.820 -0.338 0.000 1.997 285 A HA 0.054 4.391 4.320 0.029 0.000 0.212 285 A C 1.128 178.629 177.584 -0.139 0.000 1.178 285 A CA 0.697 52.609 52.037 -0.208 0.000 0.698 285 A CB -0.150 18.777 19.000 -0.121 0.000 0.842 285 A HN 0.566 nan 8.150 nan 0.000 0.458 286 Y N -2.903 117.332 120.300 -0.109 0.000 2.728 286 Y HA 0.535 5.102 4.550 0.029 0.000 0.256 286 Y C 0.728 176.512 175.900 -0.194 0.000 1.112 286 Y CA -1.258 56.767 58.100 -0.125 0.000 1.240 286 Y CB -0.896 37.497 38.460 -0.111 0.000 1.337 286 Y HN 0.090 nan 8.280 nan 0.000 0.559 287 G N 1.257 109.895 108.800 -0.269 0.000 2.614 287 G HA2 0.436 4.414 3.960 0.029 0.000 0.239 287 G HA3 0.436 4.414 3.960 0.029 0.000 0.239 287 G C -0.973 173.801 174.900 -0.210 0.000 1.240 287 G CA -0.077 44.863 45.100 -0.266 0.000 0.842 287 G HN 0.120 nan 8.290 nan 0.000 0.584 288 V N 0.317 120.076 119.914 -0.257 0.000 2.638 288 V HA 0.619 4.756 4.120 0.029 0.000 0.306 288 V C -0.109 175.914 176.094 -0.119 0.000 1.052 288 V CA -0.709 61.518 62.300 -0.122 0.000 0.885 288 V CB 1.893 33.714 31.823 -0.004 0.000 0.999 288 V HN 0.855 nan 8.190 nan 0.000 0.424 289 S N 3.616 119.277 115.700 -0.065 0.000 2.532 289 S HA 0.790 5.277 4.470 0.029 0.000 0.299 289 S C -1.133 173.505 174.600 0.063 0.000 1.105 289 S CA -0.435 57.723 58.200 -0.071 0.000 1.018 289 S CB 1.682 64.830 63.200 -0.086 0.000 1.021 289 S HN 0.480 nan 8.310 nan 0.000 0.483 290 V N 6.225 126.086 119.914 -0.088 0.000 2.384 290 V HA 0.502 4.640 4.120 0.029 0.000 0.287 290 V C -0.238 175.903 176.094 0.078 0.000 1.020 290 V CA -0.652 61.644 62.300 -0.006 0.000 0.850 290 V CB 1.370 33.170 31.823 -0.038 0.000 0.987 290 V HN 0.839 nan 8.190 nan 0.000 0.436 291 I N 4.750 125.346 120.570 0.042 0.000 2.371 291 I HA 0.257 4.445 4.170 0.029 0.000 0.290 291 I C 0.719 176.861 176.117 0.043 0.000 1.028 291 I CA 0.145 61.465 61.300 0.033 0.000 1.345 291 I CB 1.567 39.518 38.000 -0.082 0.000 1.407 291 I HN 0.416 nan 8.210 nan 0.000 0.501 292 V N 4.781 124.751 119.914 0.093 0.000 3.219 292 V HA 0.194 4.332 4.120 0.029 0.000 0.240 292 V C 1.271 177.419 176.094 0.091 0.000 1.222 292 V CA 0.226 62.585 62.300 0.098 0.000 1.181 292 V CB 0.008 31.912 31.823 0.135 0.000 0.941 292 V HN 0.849 nan 8.190 nan 0.000 0.471 293 G N 0.867 109.727 108.800 0.100 0.000 2.484 293 G HA2 0.347 4.325 3.960 0.029 0.000 0.235 293 G HA3 0.347 4.325 3.960 0.029 0.000 0.235 293 G C -0.558 174.385 174.900 0.072 0.000 1.282 293 G CA 0.143 45.308 45.100 0.109 0.000 0.857 293 G HN 0.137 nan 8.290 nan 0.000 0.571 294 V N 5.229 125.203 119.914 0.101 0.000 2.347 294 V HA 0.359 4.496 4.120 0.029 0.000 0.280 294 V C -1.577 174.479 176.094 -0.063 0.000 1.021 294 V CA -1.204 61.114 62.300 0.029 0.000 0.847 294 V CB 1.604 33.483 31.823 0.094 0.000 0.990 294 V HN 0.722 nan 8.190 nan 0.000 0.444 295 P HA 0.447 nan 4.420 nan 0.000 0.280 295 P C -2.911 174.308 177.300 -0.136 0.000 1.272 295 P CA -2.419 60.625 63.100 -0.093 0.000 0.819 295 P CB 0.385 32.052 31.700 -0.055 0.000 1.122 296 P HA 0.063 nan 4.420 nan 0.000 0.264 296 P C -0.232 177.024 177.300 -0.072 0.000 1.193 296 P CA 0.387 63.424 63.100 -0.105 0.000 0.763 296 P CB -0.249 31.411 31.700 -0.067 0.000 0.810 297 D N 2.475 122.837 120.400 -0.064 0.000 2.648 297 D HA -0.082 4.576 4.640 0.029 0.000 0.229 297 D C 0.175 176.456 176.300 -0.031 0.000 1.119 297 D CA 1.315 55.291 54.000 -0.040 0.000 0.850 297 D CB -0.003 40.780 40.800 -0.028 0.000 1.169 297 D HN 0.315 nan 8.370 nan 0.000 0.489 298 S N 0.346 116.030 115.700 -0.027 0.000 3.358 298 S HA -0.272 4.216 4.470 0.029 0.000 0.309 298 S C -0.110 174.477 174.600 -0.023 0.000 1.247 298 S CA 0.762 58.949 58.200 -0.022 0.000 0.961 298 S CB -1.257 61.934 63.200 -0.015 0.000 1.074 298 S HN 0.701 nan 8.310 nan 0.000 0.625 299 Q N 0.638 120.422 119.800 -0.027 0.000 2.256 299 Q HA 0.474 4.831 4.340 0.029 0.000 0.257 299 Q C -0.328 175.658 176.000 -0.023 0.000 0.936 299 Q CA -0.696 55.094 55.803 -0.022 0.000 0.903 299 Q CB 0.786 29.511 28.738 -0.021 0.000 1.263 299 Q HN 0.217 nan 8.270 nan 0.000 0.440 300 N N 1.300 119.991 118.700 -0.015 0.000 2.487 300 N HA 0.392 5.150 4.740 0.029 0.000 0.292 300 N C -0.935 174.576 175.510 0.001 0.000 1.108 300 N CA -0.482 52.561 53.050 -0.012 0.000 0.956 300 N CB 0.862 39.344 38.487 -0.008 0.000 1.176 300 N HN 0.357 nan 8.380 nan 0.000 0.484 301 L N -1.469 119.761 121.223 0.011 0.000 2.358 301 L HA 0.788 5.146 4.340 0.029 0.000 0.268 301 L C 0.316 177.215 176.870 0.048 0.000 1.032 301 L CA -0.670 54.193 54.840 0.038 0.000 0.805 301 L CB 1.187 43.292 42.059 0.078 0.000 1.253 301 L HN 0.309 nan 8.230 nan 0.000 0.452 302 S N 1.397 117.127 115.700 0.050 0.000 2.519 302 S HA 0.901 5.389 4.470 0.029 0.000 0.309 302 S C -0.648 173.979 174.600 0.045 0.000 1.100 302 S CA -0.616 57.608 58.200 0.040 0.000 1.059 302 S CB 0.705 63.917 63.200 0.021 0.000 1.008 302 S HN 0.833 nan 8.310 nan 0.000 0.478 303 M N 3.153 122.780 119.600 0.046 0.000 2.578 303 M HA 0.598 5.095 4.480 0.029 0.000 0.276 303 M C -1.231 175.066 176.300 -0.005 0.000 1.245 303 M CA -0.787 54.522 55.300 0.014 0.000 0.871 303 M CB 1.126 33.742 32.600 0.027 0.000 1.722 303 M HN 0.386 nan 8.290 nan 0.000 0.473 304 N N 2.027 120.699 118.700 -0.046 0.000 2.419 304 N HA 0.469 5.226 4.740 0.029 0.000 0.264 304 N C -2.060 173.419 175.510 -0.052 0.000 1.031 304 N CA -1.960 51.064 53.050 -0.043 0.000 0.951 304 N CB 1.346 39.801 38.487 -0.053 0.000 1.101 304 N HN 0.550 nan 8.380 nan 0.000 0.488 305 P HA -0.129 nan 4.420 nan 0.000 0.223 305 P C 1.277 178.552 177.300 -0.041 0.000 1.144 305 P CA 0.717 63.805 63.100 -0.019 0.000 0.783 305 P CB 0.204 31.905 31.700 0.003 0.000 0.771 306 M N -0.656 118.913 119.600 -0.051 0.000 2.358 306 M HA -0.057 4.441 4.480 0.029 0.000 0.264 306 M C 1.751 177.999 176.300 -0.086 0.000 1.064 306 M CA 1.460 56.725 55.300 -0.059 0.000 1.093 306 M CB -1.156 31.412 32.600 -0.054 0.000 1.401 306 M HN -0.194 nan 8.290 nan 0.000 0.440 307 L N -1.118 120.035 121.223 -0.116 0.000 2.131 307 L HA -0.199 4.159 4.340 0.029 0.000 0.210 307 L C 2.085 178.858 176.870 -0.161 0.000 1.092 307 L CA 1.009 55.748 54.840 -0.168 0.000 0.759 307 L CB -0.666 41.243 42.059 -0.250 0.000 0.903 307 L HN 0.369 nan 8.230 nan 0.000 0.435 308 L N -1.419 119.736 121.223 -0.114 0.000 2.168 308 L HA -0.116 4.242 4.340 0.029 0.000 0.203 308 L C 2.402 179.240 176.870 -0.053 0.000 1.078 308 L CA 0.291 55.087 54.840 -0.073 0.000 0.780 308 L CB -0.308 41.742 42.059 -0.014 0.000 0.939 308 L HN 0.156 nan 8.230 nan 0.000 0.451 309 L N 0.331 121.527 121.223 -0.045 0.000 2.127 309 L HA -0.222 4.135 4.340 0.029 0.000 0.211 309 L C 2.697 179.541 176.870 -0.044 0.000 1.089 309 L CA 1.882 56.701 54.840 -0.035 0.000 0.757 309 L CB -0.365 41.677 42.059 -0.029 0.000 0.899 309 L HN 0.314 nan 8.230 nan 0.000 0.434 310 S N -1.661 114.000 115.700 -0.064 0.000 2.474 310 S HA 0.157 4.645 4.470 0.029 0.000 0.235 310 S C 1.551 176.110 174.600 -0.068 0.000 0.997 310 S CA 0.613 58.771 58.200 -0.070 0.000 0.949 310 S CB -0.035 63.109 63.200 -0.094 0.000 0.766 310 S HN 0.615 nan 8.310 nan 0.000 0.517 311 G N 0.514 109.274 108.800 -0.067 0.000 2.613 311 G HA2 -0.104 3.874 3.960 0.029 0.000 0.199 311 G HA3 -0.104 3.874 3.960 0.029 0.000 0.199 311 G C 0.099 174.960 174.900 -0.065 0.000 0.991 311 G CA -0.714 44.356 45.100 -0.051 0.000 0.756 311 G HN 0.391 nan 8.290 nan 0.000 0.515 312 R N 0.639 121.077 120.500 -0.104 0.000 2.811 312 R HA 0.463 4.820 4.340 0.029 0.000 0.265 312 R C -0.333 175.934 176.300 -0.055 0.000 1.026 312 R CA 0.944 56.973 56.100 -0.118 0.000 1.142 312 R CB 0.287 30.477 30.300 -0.183 0.000 1.027 312 R HN 0.131 nan 8.270 nan 0.000 0.465 313 T N 1.542 116.073 114.554 -0.038 0.000 2.812 313 T HA 0.246 4.614 4.350 0.029 0.000 0.282 313 T C -1.408 173.355 174.700 0.106 0.000 0.990 313 T CA -0.484 61.638 62.100 0.036 0.000 0.960 313 T CB 0.861 69.751 68.868 0.037 0.000 0.948 313 T HN 0.379 nan 8.240 nan 0.000 0.438 314 W N 5.757 127.021 121.300 -0.059 0.000 2.600 314 W HA 0.600 5.278 4.660 0.030 0.000 0.325 314 W C -0.546 175.939 176.519 -0.057 0.000 1.034 314 W CA -1.540 55.764 57.345 -0.068 0.000 1.226 314 W CB 1.015 30.434 29.460 -0.067 0.000 1.379 314 W HN 0.676 nan 8.180 nan 0.000 0.466 315 K N 3.663 124.127 120.400 0.106 0.000 2.522 315 K HA 0.937 5.274 4.320 0.029 0.000 0.275 315 K C -0.739 175.790 176.600 -0.119 0.000 1.006 315 K CA -0.964 55.290 56.287 -0.055 0.000 0.890 315 K CB 1.856 34.353 32.500 -0.005 0.000 1.475 315 K HN 0.517 nan 8.250 nan 0.000 0.441 316 G N -0.617 108.101 108.800 -0.136 0.000 2.694 316 G HA2 0.795 4.773 3.960 0.029 0.000 0.290 316 G HA3 0.795 4.773 3.960 0.029 0.000 0.290 316 G C -1.768 173.070 174.900 -0.103 0.000 1.386 316 G CA -0.595 44.428 45.100 -0.128 0.000 0.872 316 G HN 0.815 nan 8.290 nan 0.000 0.475 317 A N -0.331 122.439 122.820 -0.084 0.000 2.608 317 A HA 0.676 5.014 4.320 0.029 0.000 0.292 317 A C -1.635 175.929 177.584 -0.034 0.000 1.066 317 A CA -0.536 51.456 52.037 -0.075 0.000 0.676 317 A CB 1.301 20.269 19.000 -0.053 0.000 1.277 317 A HN 0.681 nan 8.150 nan 0.000 0.413 318 I N 1.225 121.789 120.570 -0.011 0.000 2.377 318 I HA 0.448 4.635 4.170 0.029 0.000 0.293 318 I C 0.325 176.608 176.117 0.277 0.000 0.987 318 I CA -0.192 61.182 61.300 0.124 0.000 1.185 318 I CB 0.803 38.854 38.000 0.085 0.000 1.341 318 I HN 0.916 nan 8.210 nan 0.000 0.455 319 F N 5.893 125.954 119.950 0.185 0.000 3.074 319 F HA -0.229 4.307 4.527 0.016 0.000 0.287 319 F C 1.308 177.186 175.800 0.130 0.000 0.932 319 F CA 0.847 58.949 58.000 0.170 0.000 0.995 319 F CB -1.200 37.774 39.000 -0.044 0.000 0.966 319 F HN 0.904 nan 8.300 nan 0.000 0.721 320 G N 0.343 109.122 108.800 -0.036 0.000 2.269 320 G HA2 0.071 4.048 3.960 0.029 0.000 0.277 320 G HA3 0.071 4.048 3.960 0.029 0.000 0.277 320 G C 2.233 176.867 174.900 -0.443 0.000 1.008 320 G CA 1.300 46.243 45.100 -0.262 0.000 0.774 320 G HN 2.408 nan 8.290 nan 0.000 0.511 321 G N -2.265 106.410 108.800 -0.208 0.000 2.184 321 G HA2 -0.239 3.739 3.960 0.029 0.000 0.264 321 G HA3 -0.239 3.739 3.960 0.029 0.000 0.264 321 G C 0.391 175.215 174.900 -0.126 0.000 0.975 321 G CA 0.513 45.512 45.100 -0.169 0.000 0.642 321 G HN 1.114 nan 8.290 nan 0.000 0.536 322 F N 1.504 121.447 119.950 -0.012 0.000 2.484 322 F HA 0.409 4.958 4.527 0.036 0.000 0.360 322 F C 1.326 177.212 175.800 0.143 0.000 1.101 322 F CA -0.272 57.742 58.000 0.024 0.000 1.251 322 F CB 0.736 39.661 39.000 -0.125 0.000 1.132 322 F HN -0.071 nan 8.300 nan 0.000 0.570 323 K N 2.374 122.971 120.400 0.328 0.000 2.363 323 K HA 0.075 4.413 4.320 0.029 0.000 0.289 323 K C 1.208 177.946 176.600 0.230 0.000 1.063 323 K CA 0.136 56.554 56.287 0.217 0.000 0.967 323 K CB 0.641 33.232 32.500 0.151 0.000 0.987 323 K HN 0.797 nan 8.250 nan 0.000 0.473 324 S N 3.564 119.384 115.700 0.200 0.000 2.359 324 S HA -0.282 4.205 4.470 0.029 0.000 0.222 324 S C 1.894 176.543 174.600 0.082 0.000 1.038 324 S CA 1.211 59.505 58.200 0.157 0.000 1.051 324 S CB -0.121 63.015 63.200 -0.106 0.000 0.944 324 S HN 0.643 nan 8.310 nan 0.000 0.433 325 K N 0.877 121.298 120.400 0.035 0.000 2.097 325 K HA -0.103 4.234 4.320 0.029 0.000 0.205 325 K C 1.591 178.213 176.600 0.037 0.000 1.050 325 K CA 1.606 57.906 56.287 0.021 0.000 0.938 325 K CB -0.184 32.319 32.500 0.006 0.000 0.718 325 K HN 0.384 nan 8.250 nan 0.000 0.442 326 D N -0.465 119.967 120.400 0.054 0.000 2.137 326 D HA -0.054 4.604 4.640 0.029 0.000 0.202 326 D C 1.843 178.171 176.300 0.046 0.000 0.970 326 D CA 1.083 55.114 54.000 0.053 0.000 0.837 326 D CB 0.023 40.865 40.800 0.069 0.000 0.981 326 D HN 0.107 nan 8.370 nan 0.000 0.475 327 S N 0.163 115.891 115.700 0.047 0.000 2.414 327 S HA -0.032 4.456 4.470 0.029 0.000 0.227 327 S C 2.361 176.907 174.600 -0.091 0.000 1.022 327 S CA 0.143 58.313 58.200 -0.050 0.000 0.958 327 S CB -0.102 62.974 63.200 -0.207 0.000 0.797 327 S HN 0.041 nan 8.310 nan 0.000 0.493 328 V N 3.259 123.170 119.914 -0.006 0.000 2.255 328 V HA -0.138 4.000 4.120 0.029 0.000 0.247 328 V C -0.649 175.457 176.094 0.018 0.000 1.051 328 V CA 1.951 64.265 62.300 0.024 0.000 1.018 328 V CB -1.788 30.085 31.823 0.084 0.000 0.641 328 V HN 0.334 nan 8.190 nan 0.000 0.445 329 P HA -0.147 nan 4.420 nan 0.000 0.216 329 P C 1.541 178.857 177.300 0.026 0.000 1.150 329 P CA 1.482 64.596 63.100 0.023 0.000 0.837 329 P CB -0.051 31.661 31.700 0.020 0.000 0.786 330 K N -0.688 119.725 120.400 0.021 0.000 2.062 330 K HA -0.024 4.314 4.320 0.029 0.000 0.205 330 K C 2.102 178.736 176.600 0.057 0.000 1.051 330 K CA 0.976 57.282 56.287 0.033 0.000 0.941 330 K CB -0.685 31.834 32.500 0.032 0.000 0.719 330 K HN 0.120 nan 8.250 nan 0.000 0.440 331 L N 0.600 121.847 121.223 0.039 0.000 2.083 331 L HA -0.201 4.157 4.340 0.029 0.000 0.209 331 L C 2.284 179.286 176.870 0.219 0.000 1.083 331 L CA 0.892 55.819 54.840 0.144 0.000 0.752 331 L CB -0.411 41.654 42.059 0.010 0.000 0.899 331 L HN -0.004 nan 8.230 nan 0.000 0.433 332 V N -0.164 119.819 119.914 0.114 0.000 2.307 332 V HA -0.286 3.852 4.120 0.029 0.000 0.245 332 V C 2.752 178.891 176.094 0.074 0.000 1.045 332 V CA 1.725 64.084 62.300 0.099 0.000 1.024 332 V CB -0.889 30.968 31.823 0.057 0.000 0.651 332 V HN 0.483 nan 8.190 nan 0.000 0.449 333 A N 0.218 123.064 122.820 0.043 0.000 1.873 333 A HA -0.316 4.022 4.320 0.029 0.000 0.218 333 A C 1.990 179.554 177.584 -0.032 0.000 1.193 333 A CA 2.349 54.391 52.037 0.007 0.000 0.629 333 A CB -0.812 18.197 19.000 0.014 0.000 0.826 333 A HN 0.556 nan 8.150 nan 0.000 0.447 334 D N -1.303 119.097 120.400 0.000 0.000 2.144 334 D HA -0.138 4.520 4.640 0.029 0.000 0.199 334 D C 1.593 177.695 176.300 -0.329 0.000 0.984 334 D CA 1.351 55.317 54.000 -0.056 0.000 0.834 334 D CB -0.459 40.419 40.800 0.131 0.000 0.955 334 D HN 0.521 nan 8.370 nan 0.000 0.465 335 F N 1.014 120.574 119.950 -0.650 0.000 2.186 335 F HA -0.148 4.393 4.527 0.023 0.000 0.299 335 F C 2.056 177.564 175.800 -0.488 0.000 1.090 335 F CA 0.964 58.369 58.000 -0.992 0.000 1.307 335 F CB -0.069 38.422 39.000 -0.850 0.000 1.019 335 F HN -0.201 nan 8.300 nan 0.000 0.489 336 M N 0.451 119.851 119.600 -0.333 0.000 2.229 336 M HA -0.035 4.462 4.480 0.029 0.000 0.264 336 M C 2.274 178.375 176.300 -0.332 0.000 1.063 336 M CA 1.398 56.514 55.300 -0.307 0.000 1.114 336 M CB -1.958 30.574 32.600 -0.112 0.000 1.387 336 M HN 0.302 nan 8.290 nan 0.000 0.420 337 A N -0.858 121.792 122.820 -0.283 0.000 2.238 337 A HA 0.034 4.371 4.320 0.029 0.000 0.208 337 A C 1.332 178.758 177.584 -0.264 0.000 1.177 337 A CA 0.527 52.435 52.037 -0.216 0.000 0.804 337 A CB -0.410 18.510 19.000 -0.134 0.000 0.823 337 A HN 0.534 nan 8.150 nan 0.000 0.482 338 K N -1.464 118.679 120.400 -0.428 0.000 3.230 338 K HA -0.170 4.168 4.320 0.029 0.000 0.285 338 K C 0.752 177.191 176.600 -0.269 0.000 1.196 338 K CA 1.153 57.196 56.287 -0.407 0.000 0.838 338 K CB -0.972 31.358 32.500 -0.285 0.000 1.262 338 K HN 0.408 nan 8.250 nan 0.000 0.492 339 K N -0.267 119.976 120.400 -0.262 0.000 2.296 339 K HA 0.006 4.343 4.320 0.029 0.000 0.200 339 K C 0.757 177.394 176.600 0.062 0.000 1.048 339 K CA 1.347 57.599 56.287 -0.059 0.000 0.966 339 K CB -0.067 32.456 32.500 0.038 0.000 0.754 339 K HN 0.399 nan 8.250 nan 0.000 0.466 340 F N -2.006 117.910 119.950 -0.057 0.000 2.686 340 F HA 0.682 5.220 4.527 0.019 0.000 0.311 340 F C -1.265 174.515 175.800 -0.035 0.000 1.128 340 F CA -2.003 55.972 58.000 -0.041 0.000 0.946 340 F CB 0.799 39.708 39.000 -0.150 0.000 1.336 340 F HN -0.219 nan 8.300 nan 0.000 0.457 341 A N 1.488 124.469 122.820 0.268 0.000 2.325 341 A HA 0.804 5.141 4.320 0.029 0.000 0.333 341 A C -0.451 177.271 177.584 0.229 0.000 1.155 341 A CA -0.711 51.453 52.037 0.211 0.000 0.814 341 A CB 1.221 20.305 19.000 0.140 0.000 1.206 341 A HN 0.996 nan 8.150 nan 0.000 0.482 342 L N 0.062 121.417 121.223 0.219 0.000 2.685 342 L HA 0.104 4.462 4.340 0.029 0.000 0.235 342 L C 1.120 178.029 176.870 0.065 0.000 1.070 342 L CA 0.108 54.974 54.840 0.044 0.000 0.888 342 L CB -0.095 41.836 42.059 -0.215 0.000 1.203 342 L HN 0.667 nan 8.230 nan 0.000 0.499 343 D N 1.288 121.747 120.400 0.099 0.000 2.116 343 D HA -0.162 4.496 4.640 0.029 0.000 0.193 343 D C -0.694 175.642 176.300 0.059 0.000 0.998 343 D CA 1.565 55.607 54.000 0.069 0.000 0.836 343 D CB -1.327 39.514 40.800 0.068 0.000 0.951 343 D HN 0.225 nan 8.370 nan 0.000 0.449 344 P HA -0.093 nan 4.420 nan 0.000 0.218 344 P C 1.572 178.915 177.300 0.072 0.000 1.146 344 P CA 0.840 63.982 63.100 0.070 0.000 0.813 344 P CB -0.102 31.649 31.700 0.085 0.000 0.778 345 L N -1.653 119.618 121.223 0.080 0.000 2.270 345 L HA 0.051 4.409 4.340 0.029 0.000 0.210 345 L C 1.262 178.169 176.870 0.062 0.000 1.104 345 L CA 0.312 55.200 54.840 0.080 0.000 0.804 345 L CB -0.535 41.581 42.059 0.095 0.000 0.937 345 L HN -0.116 nan 8.230 nan 0.000 0.450 346 I N 0.920 121.518 120.570 0.048 0.000 2.347 346 I HA -0.010 4.177 4.170 0.029 0.000 0.294 346 I C 1.298 177.430 176.117 0.026 0.000 1.090 346 I CA 0.033 61.356 61.300 0.038 0.000 1.314 346 I CB 0.994 39.008 38.000 0.023 0.000 1.423 346 I HN 0.116 nan 8.210 nan 0.000 0.503 347 T N 0.489 115.073 114.554 0.050 0.000 2.971 347 T HA 0.218 4.586 4.350 0.029 0.000 0.252 347 T C 0.362 174.948 174.700 -0.190 0.000 1.022 347 T CA 0.151 62.234 62.100 -0.027 0.000 0.980 347 T CB 0.047 68.961 68.868 0.077 0.000 1.044 347 T HN 0.518 nan 8.240 nan 0.000 0.501 348 H N -0.551 118.509 119.070 -0.018 0.000 2.930 348 H HA 0.739 5.312 4.556 0.029 0.000 0.371 348 H C -1.522 173.788 175.328 -0.030 0.000 1.169 348 H CA -0.717 55.316 56.048 -0.025 0.000 1.157 348 H CB 2.309 32.050 29.762 -0.035 0.000 1.789 348 H HN 0.051 nan 8.280 nan 0.000 0.547 349 V N 3.785 123.752 119.914 0.089 0.000 2.577 349 V HA 0.487 4.625 4.120 0.029 0.000 0.303 349 V C -0.716 175.389 176.094 0.018 0.000 1.042 349 V CA -0.555 61.765 62.300 0.033 0.000 0.872 349 V CB 1.622 33.452 31.823 0.011 0.000 0.998 349 V HN 0.494 nan 8.190 nan 0.000 0.423 350 L N 5.707 126.922 121.223 -0.014 0.000 2.415 350 L HA 0.638 4.996 4.340 0.029 0.000 0.256 350 L C -2.669 174.160 176.870 -0.068 0.000 1.010 350 L CA -1.946 52.871 54.840 -0.038 0.000 0.826 350 L CB 3.570 45.594 42.059 -0.059 0.000 1.405 350 L HN 0.395 nan 8.230 nan 0.000 0.410 351 P HA 0.051 nan 4.420 nan 0.000 0.279 351 P C 0.572 177.794 177.300 -0.129 0.000 1.239 351 P CA -0.295 62.757 63.100 -0.080 0.000 0.789 351 P CB 0.724 32.395 31.700 -0.048 0.000 0.933 352 F N 3.442 123.157 119.950 -0.392 0.000 2.111 352 F HA -0.275 4.271 4.527 0.031 0.000 0.300 352 F C 1.638 177.254 175.800 -0.307 0.000 1.088 352 F CA 2.060 59.750 58.000 -0.516 0.000 1.243 352 F CB -0.826 37.682 39.000 -0.821 0.000 0.996 352 F HN 0.321 nan 8.300 nan 0.000 0.483 353 E N -0.089 119.889 120.200 -0.371 0.000 2.267 353 E HA -0.183 4.184 4.350 0.029 0.000 0.197 353 E C 1.453 177.860 176.600 -0.323 0.000 0.998 353 E CA 1.233 57.406 56.400 -0.379 0.000 0.830 353 E CB -0.253 29.360 29.700 -0.146 0.000 0.751 353 E HN 0.367 nan 8.360 nan 0.000 0.491 354 K N 0.261 120.505 120.400 -0.260 0.000 2.577 354 K HA 0.203 4.541 4.320 0.029 0.000 0.210 354 K C 1.259 177.739 176.600 -0.201 0.000 1.048 354 K CA -0.193 55.984 56.287 -0.184 0.000 1.188 354 K CB 0.084 32.514 32.500 -0.117 0.000 0.910 354 K HN 0.132 nan 8.250 nan 0.000 0.483 355 I N 0.921 121.294 120.570 -0.329 0.000 2.145 355 I HA -0.441 3.746 4.170 0.029 0.000 0.244 355 I C 1.444 177.536 176.117 -0.041 0.000 1.075 355 I CA 1.581 62.703 61.300 -0.297 0.000 1.332 355 I CB 0.092 37.732 38.000 -0.599 0.000 1.033 355 I HN 0.397 nan 8.210 nan 0.000 0.410 356 N N 0.709 119.387 118.700 -0.036 0.000 2.104 356 N HA -0.253 4.505 4.740 0.029 0.000 0.190 356 N C 1.739 177.294 175.510 0.075 0.000 1.024 356 N CA 1.596 54.686 53.050 0.066 0.000 0.853 356 N CB -0.390 38.105 38.487 0.014 0.000 1.008 356 N HN 0.546 nan 8.380 nan 0.000 0.424 357 E N 0.150 120.350 120.200 -0.001 0.000 2.058 357 E HA -0.118 4.249 4.350 0.029 0.000 0.194 357 E C 1.997 178.572 176.600 -0.042 0.000 0.997 357 E CA 1.093 57.478 56.400 -0.025 0.000 0.801 357 E CB -0.251 29.418 29.700 -0.052 0.000 0.746 357 E HN 0.403 nan 8.360 nan 0.000 0.450 358 G N 0.118 108.881 108.800 -0.061 0.000 2.442 358 G HA2 -0.246 3.732 3.960 0.029 0.000 0.219 358 G HA3 -0.246 3.732 3.960 0.029 0.000 0.219 358 G C 1.252 176.063 174.900 -0.148 0.000 1.141 358 G CA 0.469 45.485 45.100 -0.141 0.000 0.763 358 G HN 0.159 nan 8.290 nan 0.000 0.554 359 F N 1.384 121.284 119.950 -0.082 0.000 2.259 359 F HA 0.052 4.597 4.527 0.029 0.000 0.298 359 F C 2.383 178.166 175.800 -0.029 0.000 1.088 359 F CA 1.171 59.161 58.000 -0.018 0.000 1.358 359 F CB 0.043 39.086 39.000 0.071 0.000 1.040 359 F HN 0.061 nan 8.300 nan 0.000 0.505 360 D N 0.253 120.719 120.400 0.111 0.000 2.117 360 D HA -0.139 4.519 4.640 0.029 0.000 0.197 360 D C 2.452 178.734 176.300 -0.029 0.000 0.987 360 D CA 1.129 55.153 54.000 0.039 0.000 0.829 360 D CB -0.554 40.256 40.800 0.015 0.000 0.961 360 D HN 0.243 nan 8.370 nan 0.000 0.460 361 L N 0.154 121.316 121.223 -0.101 0.000 2.083 361 L HA -0.153 4.205 4.340 0.029 0.000 0.209 361 L C 2.443 179.230 176.870 -0.140 0.000 1.083 361 L CA 0.453 55.184 54.840 -0.181 0.000 0.752 361 L CB -0.355 41.468 42.059 -0.394 0.000 0.899 361 L HN 0.060 nan 8.230 nan 0.000 0.433 362 L N 0.077 121.219 121.223 -0.135 0.000 1.994 362 L HA -0.180 4.177 4.340 0.029 0.000 0.208 362 L C 2.736 179.586 176.870 -0.033 0.000 1.071 362 L CA 1.707 56.485 54.840 -0.104 0.000 0.745 362 L CB -0.380 41.582 42.059 -0.162 0.000 0.892 362 L HN 0.052 nan 8.230 nan 0.000 0.431 363 R N -0.651 119.853 120.500 0.007 0.000 2.152 363 R HA -0.107 4.251 4.340 0.029 0.000 0.232 363 R C 2.327 178.638 176.300 0.019 0.000 1.117 363 R CA 1.304 57.426 56.100 0.036 0.000 0.981 363 R CB -0.533 29.807 30.300 0.066 0.000 0.870 363 R HN 0.645 nan 8.270 nan 0.000 0.451 364 S N -0.970 114.730 115.700 -0.001 0.000 2.522 364 S HA 0.068 4.556 4.470 0.029 0.000 0.227 364 S C 1.518 176.115 174.600 -0.004 0.000 0.986 364 S CA 0.613 58.811 58.200 -0.003 0.000 0.929 364 S CB 0.503 63.695 63.200 -0.013 0.000 0.769 364 S HN 0.505 nan 8.310 nan 0.000 0.529 365 G N 0.981 109.777 108.800 -0.007 0.000 2.175 365 G HA2 -0.276 3.702 3.960 0.029 0.000 0.244 365 G HA3 -0.276 3.702 3.960 0.029 0.000 0.244 365 G C 0.592 175.491 174.900 -0.001 0.000 0.982 365 G CA 0.386 45.485 45.100 -0.002 0.000 0.641 365 G HN 0.577 nan 8.290 nan 0.000 0.527 366 E N 0.527 120.721 120.200 -0.010 0.000 2.107 366 E HA 0.106 4.474 4.350 0.029 0.000 0.191 366 E C 1.832 178.469 176.600 0.062 0.000 0.982 366 E CA 1.134 57.546 56.400 0.020 0.000 0.809 366 E CB -0.020 29.688 29.700 0.014 0.000 0.756 366 E HN 0.721 nan 8.360 nan 0.000 0.459 367 S N -0.678 115.013 115.700 -0.015 0.000 2.767 367 S HA 0.367 4.855 4.470 0.029 0.000 0.300 367 S C 0.689 175.316 174.600 0.044 0.000 1.123 367 S CA -0.930 57.306 58.200 0.059 0.000 0.992 367 S CB 1.413 64.545 63.200 -0.114 0.000 1.138 367 S HN -0.092 nan 8.310 nan 0.000 0.550 368 I N -0.213 120.402 120.570 0.076 0.000 4.728 368 I HA 0.394 4.582 4.170 0.029 0.000 0.233 368 I C 0.368 176.502 176.117 0.029 0.000 1.004 368 I CA 0.305 61.638 61.300 0.055 0.000 1.677 368 I CB -0.502 37.540 38.000 0.070 0.000 1.509 368 I HN 0.474 nan 8.210 nan 0.000 0.463 369 R N 1.282 121.808 120.500 0.044 0.000 2.437 369 R HA 0.440 4.798 4.340 0.029 0.000 0.310 369 R C -1.012 175.305 176.300 0.028 0.000 0.955 369 R CA -0.357 55.752 56.100 0.016 0.000 0.851 369 R CB 1.323 31.641 30.300 0.029 0.000 1.161 369 R HN 0.203 nan 8.270 nan 0.000 0.446 370 T N 4.360 118.897 114.554 -0.028 0.000 2.767 370 T HA 0.434 4.802 4.350 0.029 0.000 0.288 370 T C 0.547 175.230 174.700 -0.028 0.000 0.963 370 T CA -0.452 61.636 62.100 -0.020 0.000 1.019 370 T CB 0.788 69.588 68.868 -0.115 0.000 0.923 370 T HN 0.192 nan 8.240 nan 0.000 0.468 371 I N 4.201 124.770 120.570 -0.001 0.000 2.353 371 I HA 0.344 4.532 4.170 0.029 0.000 0.293 371 I C 0.108 176.210 176.117 -0.025 0.000 0.992 371 I CA -0.722 60.577 61.300 -0.003 0.000 1.268 371 I CB 1.024 39.030 38.000 0.010 0.000 1.387 371 I HN 0.471 nan 8.210 nan 0.000 0.478 372 L N 6.076 127.278 121.223 -0.036 0.000 2.295 372 L HA 0.447 4.804 4.340 0.029 0.000 0.285 372 L C 0.267 177.053 176.870 -0.140 0.000 1.035 372 L CA -0.451 54.324 54.840 -0.107 0.000 0.806 372 L CB 1.649 43.622 42.059 -0.144 0.000 1.214 372 L HN 0.644 nan 8.230 nan 0.000 0.426 373 T N -0.756 113.703 114.554 -0.160 0.000 2.888 373 T HA 0.635 5.003 4.350 0.029 0.000 0.284 373 T C -0.282 174.268 174.700 -0.251 0.000 1.017 373 T CA -0.619 61.424 62.100 -0.095 0.000 1.022 373 T CB 1.580 70.446 68.868 -0.003 0.000 1.013 373 T HN 0.062 nan 8.240 nan 0.000 0.465 374 F N 0.000 119.944 119.950 -0.010 0.000 2.286 374 F HA 0.000 4.545 4.527 0.030 0.000 0.279 374 F CA 0.000 57.980 58.000 -0.034 0.000 1.383 374 F CB 0.000 38.901 39.000 -0.165 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574