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 2q6e_1_B DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDMHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVMRWTDV SIEAFWAMSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV MTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERMDPVYMA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAMMIGV KKRVHPALGD AGDFVGKASM DGVEHLLREY PNNKFLVTML DATA SEQUENCE SRENQHELVV LARKFSNLMI FGCWWFMNNP EIINEMTRMR MEMLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.588 174.600 -0.021 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 2 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 3 I N 3.416 123.972 120.570 -0.024 0.000 2.297 3 I HA 0.430 4.588 4.170 -0.019 0.000 0.291 3 I C -0.274 175.843 176.117 0.001 0.000 1.033 3 I CA -0.465 60.826 61.300 -0.014 0.000 1.253 3 I CB 0.576 38.559 38.000 -0.029 0.000 1.396 3 I HN 0.687 nan 8.210 nan 0.000 0.476 4 N N 3.955 122.660 118.700 0.009 0.000 2.545 4 N HA 0.101 4.830 4.740 -0.019 0.000 0.283 4 N C -0.686 174.839 175.510 0.024 0.000 1.596 4 N CA -0.275 52.786 53.050 0.019 0.000 0.862 4 N CB 1.238 39.731 38.487 0.010 0.000 1.422 4 N HN 0.446 nan 8.380 nan 0.000 0.489 5 S N -0.151 115.566 115.700 0.028 0.000 2.543 5 S HA 0.346 4.804 4.470 -0.019 0.000 0.273 5 S C 0.595 175.217 174.600 0.038 0.000 1.152 5 S CA -0.617 57.601 58.200 0.030 0.000 0.910 5 S CB 2.225 65.438 63.200 0.022 0.000 1.105 5 S HN 0.292 nan 8.310 nan 0.000 0.465 6 R N 1.992 122.519 120.500 0.044 0.000 2.083 6 R HA -0.125 4.203 4.340 -0.019 0.000 0.237 6 R C 1.332 177.660 176.300 0.047 0.000 1.137 6 R CA 2.472 58.605 56.100 0.053 0.000 0.951 6 R CB -0.282 30.050 30.300 0.053 0.000 0.851 6 R HN 0.740 nan 8.270 nan 0.000 0.434 7 E N -0.319 119.904 120.200 0.038 0.000 2.070 7 E HA -0.183 4.156 4.350 -0.019 0.000 0.197 7 E C 1.932 178.550 176.600 0.029 0.000 1.004 7 E CA 1.644 58.064 56.400 0.033 0.000 0.805 7 E CB -0.229 29.487 29.700 0.027 0.000 0.744 7 E HN 0.132 nan 8.360 nan 0.000 0.451 8 V N 0.681 120.610 119.914 0.024 0.000 2.295 8 V HA -0.236 3.872 4.120 -0.019 0.000 0.246 8 V C 2.231 178.334 176.094 0.016 0.000 1.049 8 V CA 1.601 63.911 62.300 0.016 0.000 1.024 8 V CB -0.526 31.303 31.823 0.010 0.000 0.648 8 V HN 0.219 nan 8.190 nan 0.000 0.447 9 L N 1.023 122.260 121.223 0.023 0.000 1.989 9 L HA -0.129 4.200 4.340 -0.019 0.000 0.211 9 L C 2.503 179.400 176.870 0.045 0.000 1.071 9 L CA 2.459 57.314 54.840 0.025 0.000 0.749 9 L CB -1.056 41.035 42.059 0.053 0.000 0.890 9 L HN 0.232 nan 8.230 nan 0.000 0.431 10 A N -0.963 121.892 122.820 0.059 0.000 1.948 10 A HA -0.311 3.998 4.320 -0.019 0.000 0.220 10 A C 2.348 179.963 177.584 0.052 0.000 1.177 10 A CA 2.093 54.170 52.037 0.067 0.000 0.636 10 A CB -0.771 18.264 19.000 0.060 0.000 0.815 10 A HN 0.678 nan 8.150 nan 0.000 0.449 11 E N -0.542 119.679 120.200 0.036 0.000 2.046 11 E HA -0.188 4.150 4.350 -0.019 0.000 0.190 11 E C 1.763 178.374 176.600 0.019 0.000 0.982 11 E CA 1.035 57.450 56.400 0.026 0.000 0.800 11 E CB -0.046 29.665 29.700 0.018 0.000 0.756 11 E HN 0.342 nan 8.360 nan 0.000 0.449 12 K N 0.468 120.875 120.400 0.011 0.000 2.057 12 K HA -0.098 4.211 4.320 -0.019 0.000 0.207 12 K C 2.241 178.848 176.600 0.012 0.000 1.049 12 K CA 0.915 57.200 56.287 -0.002 0.000 0.931 12 K CB -0.638 31.846 32.500 -0.028 0.000 0.714 12 K HN 0.123 nan 8.250 nan 0.000 0.440 13 V N 1.890 121.827 119.914 0.038 0.000 2.261 13 V HA -0.240 3.868 4.120 -0.019 0.000 0.246 13 V C 2.305 178.447 176.094 0.080 0.000 1.047 13 V CA 1.745 64.101 62.300 0.093 0.000 1.015 13 V CB -0.441 31.485 31.823 0.172 0.000 0.642 13 V HN 0.327 nan 8.190 nan 0.000 0.446 14 K N 0.338 120.775 120.400 0.062 0.000 2.074 14 K HA -0.227 4.082 4.320 -0.019 0.000 0.209 14 K C 1.957 178.561 176.600 0.006 0.000 1.048 14 K CA 2.091 58.401 56.287 0.037 0.000 0.926 14 K CB -0.430 32.089 32.500 0.033 0.000 0.713 14 K HN 0.595 nan 8.250 nan 0.000 0.444 15 N N 0.506 119.209 118.700 0.005 0.000 2.084 15 N HA -0.169 4.559 4.740 -0.019 0.000 0.190 15 N C 1.975 177.473 175.510 -0.021 0.000 1.030 15 N CA 0.877 53.920 53.050 -0.011 0.000 0.849 15 N CB -0.179 38.304 38.487 -0.006 0.000 1.012 15 N HN 0.188 nan 8.380 nan 0.000 0.423 16 A N 1.001 123.820 122.820 -0.002 0.000 1.883 16 A HA -0.134 4.175 4.320 -0.019 0.000 0.217 16 A C 2.440 180.005 177.584 -0.032 0.000 1.186 16 A CA 1.383 53.421 52.037 0.002 0.000 0.624 16 A CB -0.874 18.151 19.000 0.042 0.000 0.822 16 A HN 0.117 nan 8.150 nan 0.000 0.444 17 V N 0.872 120.768 119.914 -0.030 0.000 2.307 17 V HA -0.238 3.871 4.120 -0.019 0.000 0.245 17 V C 2.277 178.224 176.094 -0.246 0.000 1.045 17 V CA 2.075 64.291 62.300 -0.140 0.000 1.024 17 V CB -0.904 30.896 31.823 -0.038 0.000 0.651 17 V HN 0.564 nan 8.190 nan 0.000 0.449 18 N N 0.743 119.354 118.700 -0.148 0.000 2.188 18 N HA -0.113 4.616 4.740 -0.019 0.000 0.184 18 N C 1.591 177.012 175.510 -0.149 0.000 1.018 18 N CA 1.225 54.183 53.050 -0.152 0.000 0.858 18 N CB -0.393 38.035 38.487 -0.099 0.000 0.989 18 N HN 0.503 nan 8.380 nan 0.000 0.426 19 N N 0.914 119.544 118.700 -0.117 0.000 2.376 19 N HA -0.084 4.645 4.740 -0.019 0.000 0.177 19 N C 0.584 176.022 175.510 -0.120 0.000 1.024 19 N CA 0.246 53.238 53.050 -0.098 0.000 0.893 19 N CB -0.241 38.210 38.487 -0.060 0.000 0.980 19 N HN 0.271 nan 8.380 nan 0.000 0.439 20 Q N 2.658 122.367 119.800 -0.153 0.000 2.247 20 Q HA 0.111 4.440 4.340 -0.019 0.000 0.288 20 Q C -2.568 173.311 176.000 -0.202 0.000 1.079 20 Q CA -1.139 54.574 55.803 -0.151 0.000 0.932 20 Q CB 0.579 29.222 28.738 -0.158 0.000 1.133 20 Q HN 0.042 nan 8.270 nan 0.000 0.377 21 P HA 0.033 nan 4.420 nan 0.000 0.271 21 P C -1.137 176.056 177.300 -0.177 0.000 1.226 21 P CA -0.147 62.863 63.100 -0.150 0.000 0.765 21 P CB 0.847 32.496 31.700 -0.085 0.000 0.835 22 V N 4.258 123.985 119.914 -0.310 0.000 2.509 22 V HA 0.241 4.350 4.120 -0.019 0.000 0.284 22 V C 0.608 176.516 176.094 -0.312 0.000 1.047 22 V CA 0.071 62.117 62.300 -0.424 0.000 0.952 22 V CB 1.359 32.588 31.823 -0.990 0.000 0.988 22 V HN 0.455 nan 8.190 nan 0.000 0.469 23 T N 3.466 117.908 114.554 -0.187 0.000 2.770 23 T HA 0.177 4.515 4.350 -0.019 0.000 0.297 23 T C -0.268 174.302 174.700 -0.215 0.000 0.997 23 T CA -0.198 61.839 62.100 -0.105 0.000 0.949 23 T CB 0.338 69.242 68.868 0.059 0.000 0.941 23 T HN 0.686 nan 8.240 nan 0.000 0.457 24 D N 4.498 124.798 120.400 -0.166 0.000 2.422 24 D HA 0.136 4.764 4.640 -0.019 0.000 0.227 24 D C 1.181 177.370 176.300 -0.185 0.000 1.190 24 D CA -0.596 53.432 54.000 0.048 0.000 0.905 24 D CB 0.849 41.766 40.800 0.195 0.000 1.034 24 D HN 0.439 nan 8.370 nan 0.000 0.507 25 M N 2.162 121.519 119.600 -0.405 0.000 2.722 25 M HA 0.148 4.616 4.480 -0.019 0.000 0.238 25 M C -0.248 175.832 176.300 -0.366 0.000 1.098 25 M CA 0.481 55.291 55.300 -0.817 0.000 1.062 25 M CB -0.369 31.170 32.600 -1.768 0.000 1.573 25 M HN 0.234 nan 8.290 nan 0.000 0.531 26 H N -0.446 118.482 119.070 -0.237 0.000 3.184 26 H HA 0.557 5.102 4.556 -0.019 0.000 0.317 26 H C -1.254 174.039 175.328 -0.058 0.000 1.065 26 H CA -0.227 55.719 56.048 -0.171 0.000 1.462 26 H CB 0.805 30.386 29.762 -0.303 0.000 2.037 26 H HN 0.367 nan 8.280 nan 0.000 0.431 27 T N 1.293 115.410 114.554 -0.728 0.000 2.731 27 T HA 0.308 4.647 4.350 -0.019 0.000 0.300 27 T C -0.684 173.531 174.700 -0.808 0.000 1.283 27 T CA -0.860 60.873 62.100 -0.612 0.000 1.005 27 T CB 1.599 70.316 68.868 -0.252 0.000 1.420 27 T HN 0.678 nan 8.240 nan 0.000 0.503 28 H N 0.542 119.430 119.070 -0.304 0.000 2.467 28 H HA 0.450 4.995 4.556 -0.019 0.000 0.275 28 H C -0.215 174.895 175.328 -0.363 0.000 1.131 28 H CA -0.165 55.708 56.048 -0.291 0.000 0.989 28 H CB 0.071 29.774 29.762 -0.099 0.000 1.696 28 H HN 0.327 nan 8.280 nan 0.000 0.574 29 L N 0.112 121.137 121.223 -0.330 0.000 2.358 29 L HA 0.458 4.786 4.340 -0.019 0.000 0.268 29 L C -0.514 176.045 176.870 -0.519 0.000 1.032 29 L CA -0.727 53.996 54.840 -0.194 0.000 0.805 29 L CB 1.118 43.216 42.059 0.066 0.000 1.253 29 L HN -0.074 nan 8.230 nan 0.000 0.452 30 F N -1.136 118.775 119.950 -0.065 0.000 2.599 30 F HA 0.282 4.798 4.527 -0.019 0.000 0.311 30 F C 0.447 175.762 175.800 -0.809 0.000 1.076 30 F CA -0.708 57.066 58.000 -0.376 0.000 0.937 30 F CB 1.975 40.763 39.000 -0.354 0.000 1.282 30 F HN 0.257 nan 8.300 nan 0.000 0.460 31 S N 3.976 119.101 115.700 -0.959 0.000 2.544 31 S HA 0.064 4.523 4.470 -0.019 0.000 0.290 31 S C -1.173 173.183 174.600 -0.406 0.000 1.276 31 S CA -1.090 56.401 58.200 -1.182 0.000 1.075 31 S CB 0.576 63.508 63.200 -0.446 0.000 0.849 31 S HN 0.436 nan 8.310 nan 0.000 0.494 32 P HA -0.216 nan 4.420 nan 0.000 0.217 32 P C 0.938 178.221 177.300 -0.029 0.000 1.148 32 P CA 1.259 64.284 63.100 -0.126 0.000 0.834 32 P CB -0.277 31.349 31.700 -0.123 0.000 0.783 33 N N -0.692 117.997 118.700 -0.019 0.000 2.609 33 N HA -0.125 4.603 4.740 -0.019 0.000 0.190 33 N C 1.125 176.589 175.510 -0.077 0.000 1.157 33 N CA 0.535 53.558 53.050 -0.044 0.000 0.918 33 N CB -1.061 37.378 38.487 -0.080 0.000 0.978 33 N HN 0.140 nan 8.380 nan 0.000 0.448 34 F N 0.683 120.521 119.950 -0.186 0.000 2.743 34 F HA 0.264 4.779 4.527 -0.020 0.000 0.297 34 F C 2.047 177.746 175.800 -0.168 0.000 1.131 34 F CA 0.578 58.452 58.000 -0.210 0.000 1.426 34 F CB -0.138 38.717 39.000 -0.241 0.000 1.116 34 F HN 0.309 nan 8.300 nan 0.000 0.583 35 G N 0.235 109.060 108.800 0.042 0.000 2.488 35 G HA2 -0.283 3.666 3.960 -0.019 0.000 0.237 35 G HA3 -0.283 3.666 3.960 -0.019 0.000 0.237 35 G C 0.981 175.917 174.900 0.061 0.000 1.209 35 G CA 0.079 45.194 45.100 0.027 0.000 0.929 35 G HN 0.084 nan 8.290 nan 0.000 0.578 36 E N 0.668 120.892 120.200 0.041 0.000 2.108 36 E HA -0.263 4.075 4.350 -0.019 0.000 0.203 36 E C 2.668 179.303 176.600 0.059 0.000 1.022 36 E CA 2.136 58.568 56.400 0.054 0.000 0.823 36 E CB -0.554 29.159 29.700 0.021 0.000 0.744 36 E HN 0.957 nan 8.360 nan 0.000 0.456 37 I N -0.258 120.299 120.570 -0.021 0.000 2.381 37 I HA -0.205 3.954 4.170 -0.019 0.000 0.255 37 I C 1.340 177.556 176.117 0.165 0.000 1.140 37 I CA 0.475 61.736 61.300 -0.065 0.000 1.404 37 I CB -0.658 37.014 38.000 -0.546 0.000 1.075 37 I HN -0.034 nan 8.210 nan 0.000 0.433 38 L N 3.305 124.654 121.223 0.210 0.000 2.385 38 L HA 0.380 4.709 4.340 -0.019 0.000 0.281 38 L C -0.369 176.706 176.870 0.342 0.000 1.106 38 L CA 0.036 55.067 54.840 0.319 0.000 0.856 38 L CB 0.275 42.472 42.059 0.230 0.000 1.186 38 L HN 0.118 nan 8.230 nan 0.000 0.453 39 L N 6.812 128.220 121.223 0.308 0.000 2.307 39 L HA 0.579 4.908 4.340 -0.019 0.000 0.282 39 L C -0.668 176.406 176.870 0.339 0.000 1.051 39 L CA -0.526 54.463 54.840 0.249 0.000 0.804 39 L CB 0.989 43.137 42.059 0.149 0.000 1.197 39 L HN 0.732 nan 8.230 nan 0.000 0.431 40 W N 2.427 123.729 121.300 0.003 0.000 3.419 40 W HA 0.669 5.318 4.660 -0.019 0.000 0.298 40 W C -1.568 174.872 176.519 -0.132 0.000 1.260 40 W CA -0.751 56.574 57.345 -0.033 0.000 1.199 40 W CB 1.466 30.952 29.460 0.043 0.000 1.349 40 W HN 0.541 nan 8.180 nan 0.000 0.557 41 D N 1.194 121.386 120.400 -0.347 0.000 3.344 41 D HA -0.114 4.515 4.640 -0.019 0.000 0.303 41 D C -0.235 175.583 176.300 -0.803 0.000 0.982 41 D CA -0.353 53.153 54.000 -0.824 0.000 0.731 41 D CB 1.136 41.581 40.800 -0.592 0.000 2.071 41 D HN 0.364 nan 8.370 nan 0.000 0.521 42 I N 1.242 121.199 120.570 -1.022 0.000 2.546 42 I HA -0.079 4.079 4.170 -0.019 0.000 0.255 42 I C 1.517 177.488 176.117 -0.244 0.000 1.163 42 I CA 1.621 62.636 61.300 -0.475 0.000 1.457 42 I CB -0.005 37.892 38.000 -0.171 0.000 1.092 42 I HN 0.295 nan 8.210 nan 0.000 0.434 43 D N 0.575 120.827 120.400 -0.247 0.000 2.149 43 D HA -0.136 4.492 4.640 -0.019 0.000 0.201 43 D C 1.932 178.191 176.300 -0.068 0.000 0.972 43 D CA 0.894 54.819 54.000 -0.124 0.000 0.835 43 D CB -0.032 40.693 40.800 -0.126 0.000 0.966 43 D HN 0.410 nan 8.370 nan 0.000 0.476 44 E N 0.855 120.980 120.200 -0.125 0.000 2.072 44 E HA -0.084 4.255 4.350 -0.019 0.000 0.191 44 E C 2.562 179.170 176.600 0.012 0.000 0.985 44 E CA 0.200 56.572 56.400 -0.046 0.000 0.801 44 E CB -0.300 29.348 29.700 -0.086 0.000 0.750 44 E HN 0.355 nan 8.360 nan 0.000 0.452 45 L N 0.427 121.627 121.223 -0.038 0.000 2.012 45 L HA -0.186 4.142 4.340 -0.019 0.000 0.210 45 L C 2.584 179.537 176.870 0.138 0.000 1.073 45 L CA 1.025 55.873 54.840 0.013 0.000 0.748 45 L CB -0.474 41.579 42.059 -0.010 0.000 0.891 45 L HN 0.116 nan 8.230 nan 0.000 0.431 46 L N -0.579 120.723 121.223 0.131 0.000 2.275 46 L HA -0.119 4.210 4.340 -0.019 0.000 0.215 46 L C 2.115 179.150 176.870 0.275 0.000 1.119 46 L CA 1.390 56.365 54.840 0.225 0.000 0.790 46 L CB -0.631 41.538 42.059 0.184 0.000 0.919 46 L HN 0.438 nan 8.230 nan 0.000 0.443 47 T N -4.772 109.932 114.554 0.251 0.000 3.145 47 T HA 0.016 4.354 4.350 -0.019 0.000 0.255 47 T C 0.334 175.257 174.700 0.371 0.000 1.039 47 T CA -0.436 61.856 62.100 0.320 0.000 0.928 47 T CB -0.400 68.630 68.868 0.270 0.000 1.029 47 T HN 0.061 nan 8.240 nan 0.000 0.554 48 Y N 4.224 124.624 120.300 0.167 0.000 2.712 48 Y HA 0.115 4.653 4.550 -0.019 0.000 0.333 48 Y C 1.583 177.596 175.900 0.190 0.000 1.225 48 Y CA -0.822 57.342 58.100 0.107 0.000 1.499 48 Y CB 0.393 38.848 38.460 -0.008 0.000 1.288 48 Y HN 0.526 nan 8.280 nan 0.000 0.575 49 H N 3.081 122.252 119.070 0.168 0.000 2.466 49 H HA -0.242 4.303 4.556 -0.018 0.000 0.297 49 H C 1.055 176.422 175.328 0.064 0.000 1.113 49 H CA 2.283 58.412 56.048 0.135 0.000 1.273 49 H CB -0.784 29.078 29.762 0.167 0.000 1.371 49 H HN 0.691 nan 8.280 nan 0.000 0.528 50 Y N 0.817 120.617 120.300 -0.834 0.000 2.128 50 Y HA -0.132 4.406 4.550 -0.019 0.000 0.284 50 Y C 2.517 178.351 175.900 -0.110 0.000 1.154 50 Y CA 1.342 59.159 58.100 -0.472 0.000 1.149 50 Y CB -0.514 37.531 38.460 -0.692 0.000 0.976 50 Y HN 0.261 nan 8.280 nan 0.000 0.505 51 L N -1.658 119.649 121.223 0.141 0.000 2.240 51 L HA -0.114 4.215 4.340 -0.019 0.000 0.211 51 L C 2.189 179.106 176.870 0.079 0.000 1.106 51 L CA 0.219 55.154 54.840 0.159 0.000 0.793 51 L CB -0.564 41.645 42.059 0.250 0.000 0.927 51 L HN 0.030 nan 8.230 nan 0.000 0.446 52 V N 0.320 120.268 119.914 0.058 0.000 2.307 52 V HA -0.278 3.830 4.120 -0.019 0.000 0.245 52 V C 2.803 178.794 176.094 -0.171 0.000 1.045 52 V CA 1.843 64.057 62.300 -0.144 0.000 1.024 52 V CB -0.786 30.995 31.823 -0.071 0.000 0.651 52 V HN 0.472 nan 8.190 nan 0.000 0.449 53 A N -0.315 122.487 122.820 -0.029 0.000 1.865 53 A HA -0.279 4.030 4.320 -0.019 0.000 0.217 53 A C 2.174 179.724 177.584 -0.057 0.000 1.191 53 A CA 2.126 54.143 52.037 -0.033 0.000 0.623 53 A CB -0.552 18.478 19.000 0.050 0.000 0.826 53 A HN 0.622 nan 8.150 nan 0.000 0.444 54 E N -0.832 119.361 120.200 -0.013 0.000 2.051 54 E HA -0.146 4.193 4.350 -0.019 0.000 0.192 54 E C 1.995 178.611 176.600 0.027 0.000 0.991 54 E CA 1.229 57.632 56.400 0.004 0.000 0.799 54 E CB -0.376 29.355 29.700 0.051 0.000 0.748 54 E HN 0.365 nan 8.360 nan 0.000 0.449 55 V N 1.113 121.034 119.914 0.011 0.000 2.392 55 V HA -0.255 3.854 4.120 -0.019 0.000 0.249 55 V C 1.970 178.049 176.094 -0.025 0.000 1.059 55 V CA 1.481 63.799 62.300 0.030 0.000 1.051 55 V CB -0.205 31.594 31.823 -0.040 0.000 0.658 55 V HN 0.320 nan 8.190 nan 0.000 0.455 56 M N -0.658 118.853 119.600 -0.147 0.000 2.446 56 M HA -0.077 4.392 4.480 -0.019 0.000 0.263 56 M C 2.079 178.316 176.300 -0.104 0.000 1.066 56 M CA 1.353 56.559 55.300 -0.157 0.000 1.087 56 M CB -1.351 31.120 32.600 -0.215 0.000 1.406 56 M HN 0.357 nan 8.290 nan 0.000 0.459 57 R N -2.131 118.293 120.500 -0.126 0.000 2.236 57 R HA -0.097 4.232 4.340 -0.019 0.000 0.208 57 R C 1.558 177.683 176.300 -0.292 0.000 1.036 57 R CA 0.911 56.859 56.100 -0.254 0.000 1.001 57 R CB 0.101 30.169 30.300 -0.387 0.000 0.896 57 R HN 0.450 nan 8.270 nan 0.000 0.464 58 W N -0.717 120.543 121.300 -0.066 0.000 3.127 58 W HA 0.122 4.771 4.660 -0.019 0.000 0.248 58 W C 1.182 177.676 176.519 -0.042 0.000 1.058 58 W CA -0.331 56.983 57.345 -0.052 0.000 1.783 58 W CB -0.314 29.116 29.460 -0.051 0.000 1.030 58 W HN -0.227 nan 8.180 nan 0.000 0.653 59 T N 1.167 115.851 114.554 0.216 0.000 2.906 59 T HA -0.069 4.270 4.350 -0.019 0.000 0.320 59 T C 0.705 175.448 174.700 0.073 0.000 1.088 59 T CA 0.429 62.598 62.100 0.115 0.000 1.120 59 T CB 0.554 69.465 68.868 0.072 0.000 1.000 59 T HN 0.008 nan 8.240 nan 0.000 0.550 60 D N 1.858 122.296 120.400 0.064 0.000 2.354 60 D HA 0.094 4.722 4.640 -0.019 0.000 0.209 60 D C 0.474 176.798 176.300 0.040 0.000 1.015 60 D CA 0.227 54.255 54.000 0.047 0.000 0.867 60 D CB 0.193 41.021 40.800 0.046 0.000 0.933 60 D HN 0.296 nan 8.370 nan 0.000 0.520 61 V N 2.619 122.562 119.914 0.048 0.000 2.529 61 V HA -0.017 4.091 4.120 -0.019 0.000 0.292 61 V C 1.102 177.217 176.094 0.036 0.000 1.028 61 V CA -0.359 61.974 62.300 0.056 0.000 1.074 61 V CB 0.845 32.724 31.823 0.093 0.000 0.958 61 V HN 0.161 nan 8.190 nan 0.000 0.481 62 S N 4.928 120.653 115.700 0.040 0.000 2.584 62 S HA 0.134 4.593 4.470 -0.019 0.000 0.270 62 S C 1.024 175.635 174.600 0.020 0.000 1.346 62 S CA -0.248 57.971 58.200 0.031 0.000 1.018 62 S CB 0.649 63.877 63.200 0.047 0.000 0.899 62 S HN 0.622 nan 8.310 nan 0.000 0.542 63 I N 1.284 121.846 120.570 -0.013 0.000 2.361 63 I HA -0.059 4.099 4.170 -0.019 0.000 0.251 63 I C 1.975 178.095 176.117 0.005 0.000 1.133 63 I CA 1.614 62.856 61.300 -0.096 0.000 1.413 63 I CB -0.787 37.166 38.000 -0.079 0.000 1.073 63 I HN 0.799 nan 8.210 nan 0.000 0.424 64 E N 0.967 121.239 120.200 0.120 0.000 2.051 64 E HA -0.128 4.210 4.350 -0.019 0.000 0.192 64 E C 2.309 179.014 176.600 0.175 0.000 0.991 64 E CA 1.621 58.140 56.400 0.199 0.000 0.799 64 E CB -0.843 28.946 29.700 0.147 0.000 0.748 64 E HN 0.565 nan 8.360 nan 0.000 0.449 65 A N 0.442 123.332 122.820 0.116 0.000 1.883 65 A HA -0.200 4.108 4.320 -0.019 0.000 0.217 65 A C 2.164 179.803 177.584 0.091 0.000 1.186 65 A CA 1.502 53.596 52.037 0.096 0.000 0.624 65 A CB -0.952 18.094 19.000 0.077 0.000 0.822 65 A HN 0.334 nan 8.150 nan 0.000 0.444 66 F N -0.832 119.071 119.950 -0.078 0.000 2.095 66 F HA -0.224 4.291 4.527 -0.020 0.000 0.298 66 F C 2.054 177.822 175.800 -0.053 0.000 1.104 66 F CA 1.829 59.734 58.000 -0.158 0.000 1.232 66 F CB -0.463 38.301 39.000 -0.393 0.000 0.987 66 F HN 0.437 nan 8.300 nan 0.000 0.475 67 W N -0.315 121.050 121.300 0.109 0.000 2.465 67 W HA -0.034 4.616 4.660 -0.017 0.000 0.268 67 W C 2.441 178.927 176.519 -0.054 0.000 1.242 67 W CA 0.520 57.876 57.345 0.018 0.000 1.248 67 W CB -0.369 29.157 29.460 0.110 0.000 1.118 67 W HN 0.092 nan 8.180 nan 0.000 0.587 68 A N -0.085 122.844 122.820 0.183 0.000 2.016 68 A HA -0.004 4.305 4.320 -0.019 0.000 0.217 68 A C 1.266 178.862 177.584 0.020 0.000 1.162 68 A CA 0.485 52.579 52.037 0.095 0.000 0.662 68 A CB -0.519 18.530 19.000 0.082 0.000 0.812 68 A HN 0.079 nan 8.150 nan 0.000 0.450 69 M N 0.725 120.294 119.600 -0.053 0.000 2.184 69 M HA 0.153 4.622 4.480 -0.019 0.000 0.296 69 M C 0.921 177.166 176.300 -0.093 0.000 1.165 69 M CA 0.062 55.303 55.300 -0.097 0.000 1.175 69 M CB 0.370 32.857 32.600 -0.188 0.000 1.392 69 M HN 0.419 nan 8.290 nan 0.000 0.457 70 S N 0.059 115.715 115.700 -0.074 0.000 2.652 70 S HA 0.235 4.694 4.470 -0.019 0.000 0.270 70 S C 0.651 175.207 174.600 -0.074 0.000 1.243 70 S CA -0.837 57.331 58.200 -0.054 0.000 0.999 70 S CB 1.520 64.698 63.200 -0.036 0.000 0.973 70 S HN 0.749 nan 8.310 nan 0.000 0.544 71 K N 1.142 121.514 120.400 -0.047 0.000 2.044 71 K HA -0.201 4.108 4.320 -0.019 0.000 0.210 71 K C 2.392 178.968 176.600 -0.040 0.000 1.049 71 K CA 1.926 58.191 56.287 -0.036 0.000 0.927 71 K CB -0.317 32.168 32.500 -0.026 0.000 0.713 71 K HN 0.737 nan 8.250 nan 0.000 0.443 72 R N 0.521 120.995 120.500 -0.043 0.000 2.075 72 R HA -0.127 4.202 4.340 -0.019 0.000 0.232 72 R C 1.898 178.183 176.300 -0.026 0.000 1.126 72 R CA 1.910 57.987 56.100 -0.039 0.000 0.963 72 R CB -0.108 30.166 30.300 -0.043 0.000 0.858 72 R HN 0.354 nan 8.270 nan 0.000 0.435 73 E N 0.299 120.477 120.200 -0.036 0.000 2.051 73 E HA -0.248 4.091 4.350 -0.019 0.000 0.192 73 E C 2.194 178.782 176.600 -0.020 0.000 0.991 73 E CA 1.632 58.016 56.400 -0.027 0.000 0.799 73 E CB -0.056 29.617 29.700 -0.044 0.000 0.748 73 E HN 0.531 nan 8.360 nan 0.000 0.449 74 Q N 0.319 120.062 119.800 -0.094 0.000 2.096 74 Q HA -0.154 4.174 4.340 -0.019 0.000 0.204 74 Q C 2.256 178.340 176.000 0.139 0.000 0.982 74 Q CA 1.380 57.125 55.803 -0.097 0.000 0.850 74 Q CB -0.224 28.279 28.738 -0.391 0.000 0.901 74 Q HN 0.235 nan 8.270 nan 0.000 0.422 75 A N 1.355 124.229 122.820 0.091 0.000 1.972 75 A HA -0.216 4.092 4.320 -0.019 0.000 0.219 75 A C 1.579 179.253 177.584 0.149 0.000 1.169 75 A CA 1.687 53.798 52.037 0.124 0.000 0.635 75 A CB -0.302 18.722 19.000 0.039 0.000 0.810 75 A HN 0.234 nan 8.150 nan 0.000 0.446 76 D N -0.521 119.942 120.400 0.106 0.000 2.123 76 D HA -0.093 4.535 4.640 -0.019 0.000 0.200 76 D C 1.879 178.303 176.300 0.206 0.000 0.976 76 D CA 1.139 55.216 54.000 0.129 0.000 0.831 76 D CB -0.353 40.487 40.800 0.068 0.000 0.974 76 D HN 0.359 nan 8.370 nan 0.000 0.469 77 L N 0.983 122.319 121.223 0.187 0.000 2.017 77 L HA -0.097 4.232 4.340 -0.019 0.000 0.208 77 L C 2.172 179.186 176.870 0.239 0.000 1.073 77 L CA 1.368 56.329 54.840 0.202 0.000 0.745 77 L CB -0.491 41.702 42.059 0.223 0.000 0.894 77 L HN -0.035 nan 8.230 nan 0.000 0.432 78 I N -1.600 119.147 120.570 0.295 0.000 2.226 78 I HA -0.335 3.823 4.170 -0.019 0.000 0.245 78 I C 2.371 178.728 176.117 0.401 0.000 1.100 78 I CA 1.569 63.058 61.300 0.315 0.000 1.374 78 I CB -0.537 37.669 38.000 0.343 0.000 1.057 78 I HN 0.585 nan 8.210 nan 0.000 0.413 79 W N 2.168 123.580 121.300 0.187 0.000 2.355 79 W HA -0.266 4.382 4.660 -0.019 0.000 0.309 79 W C 2.403 179.049 176.519 0.212 0.000 1.206 79 W CA 2.074 59.509 57.345 0.151 0.000 1.284 79 W CB -0.104 29.328 29.460 -0.047 0.000 1.145 79 W HN 0.158 nan 8.180 nan 0.000 0.502 80 E N 0.801 121.159 120.200 0.264 0.000 2.017 80 E HA -0.240 4.099 4.350 -0.019 0.000 0.193 80 E C 2.004 178.605 176.600 0.002 0.000 0.997 80 E CA 2.155 58.622 56.400 0.111 0.000 0.804 80 E CB -0.649 29.133 29.700 0.137 0.000 0.757 80 E HN 0.126 nan 8.360 nan 0.000 0.448 81 E N -0.046 120.175 120.200 0.036 0.000 2.077 81 E HA -0.131 4.208 4.350 -0.019 0.000 0.193 81 E C 2.223 178.724 176.600 -0.164 0.000 0.989 81 E CA 1.111 57.478 56.400 -0.054 0.000 0.800 81 E CB -0.101 29.621 29.700 0.036 0.000 0.746 81 E HN 0.389 nan 8.360 nan 0.000 0.452 82 L N -1.338 119.851 121.223 -0.056 0.000 2.463 82 L HA 0.121 4.450 4.340 -0.019 0.000 0.219 82 L C 1.811 178.424 176.870 -0.428 0.000 1.088 82 L CA 0.204 54.922 54.840 -0.202 0.000 0.849 82 L CB 0.005 41.985 42.059 -0.132 0.000 1.012 82 L HN 0.012 nan 8.230 nan 0.000 0.468 83 F N -1.109 118.599 119.950 -0.403 0.000 2.602 83 F HA 0.139 4.654 4.527 -0.019 0.000 0.284 83 F C 2.054 177.554 175.800 -0.499 0.000 1.111 83 F CA 0.058 57.710 58.000 -0.580 0.000 1.405 83 F CB 0.374 38.660 39.000 -1.190 0.000 1.121 83 F HN -0.165 nan 8.300 nan 0.000 0.603 84 I N 0.284 120.702 120.570 -0.254 0.000 2.512 84 I HA -0.047 4.112 4.170 -0.019 0.000 0.247 84 I C 1.884 177.898 176.117 -0.170 0.000 1.094 84 I CA 1.116 62.309 61.300 -0.178 0.000 1.427 84 I CB -1.195 36.743 38.000 -0.102 0.000 1.149 84 I HN 0.041 nan 8.210 nan 0.000 0.438 85 K N 0.742 121.020 120.400 -0.203 0.000 2.283 85 K HA -0.052 4.256 4.320 -0.019 0.000 0.202 85 K C 0.133 176.525 176.600 -0.346 0.000 1.048 85 K CA 0.733 56.867 56.287 -0.255 0.000 0.948 85 K CB 0.142 32.469 32.500 -0.288 0.000 0.742 85 K HN 0.212 nan 8.250 nan 0.000 0.458 86 R N -0.806 119.473 120.500 -0.369 0.000 2.739 86 R HA 0.237 4.566 4.340 -0.019 0.000 0.271 86 R C -1.115 175.019 176.300 -0.277 0.000 1.010 86 R CA -0.505 55.379 56.100 -0.360 0.000 0.897 86 R CB 1.740 31.730 30.300 -0.517 0.000 1.236 86 R HN -0.168 nan 8.270 nan 0.000 0.466 87 S N 3.284 118.860 115.700 -0.206 0.000 2.549 87 S HA 0.183 4.642 4.470 -0.019 0.000 0.279 87 S C -1.934 172.516 174.600 -0.250 0.000 1.321 87 S CA -0.734 57.353 58.200 -0.188 0.000 1.054 87 S CB 0.641 63.768 63.200 -0.121 0.000 0.899 87 S HN 0.445 nan 8.310 nan 0.000 0.497 88 P HA 0.059 nan 4.420 nan 0.000 0.232 88 P C 0.877 178.012 177.300 -0.275 0.000 1.738 88 P CA -0.067 62.729 63.100 -0.506 0.000 0.948 88 P CB -0.566 30.694 31.700 -0.734 0.000 1.943 89 V N -1.008 118.797 119.914 -0.182 0.000 3.041 89 V HA -0.025 4.083 4.120 -0.019 0.000 0.260 89 V C 1.292 177.335 176.094 -0.085 0.000 1.105 89 V CA 0.655 62.891 62.300 -0.108 0.000 1.125 89 V CB -1.448 30.333 31.823 -0.070 0.000 0.730 89 V HN 0.393 nan 8.190 nan 0.000 0.479 90 S N 0.611 116.256 115.700 -0.092 0.000 2.576 90 S HA 0.055 4.513 4.470 -0.019 0.000 0.272 90 S C 1.126 175.711 174.600 -0.025 0.000 1.352 90 S CA 0.647 58.822 58.200 -0.040 0.000 1.021 90 S CB 1.214 64.399 63.200 -0.026 0.000 0.887 90 S HN 0.531 nan 8.310 nan 0.000 0.542 91 E N 2.290 122.510 120.200 0.034 0.000 2.051 91 E HA -0.098 4.241 4.350 -0.019 0.000 0.192 91 E C 2.100 178.747 176.600 0.078 0.000 0.991 91 E CA 1.999 58.447 56.400 0.080 0.000 0.799 91 E CB -0.991 28.801 29.700 0.155 0.000 0.748 91 E HN 0.824 nan 8.360 nan 0.000 0.449 92 A N -0.224 122.671 122.820 0.126 0.000 1.933 92 A HA -0.185 4.124 4.320 -0.019 0.000 0.218 92 A C 2.591 180.180 177.584 0.009 0.000 1.175 92 A CA 1.524 53.647 52.037 0.143 0.000 0.628 92 A CB -0.974 18.200 19.000 0.290 0.000 0.814 92 A HN 0.504 nan 8.150 nan 0.000 0.444 93 C N -1.276 118.002 119.300 -0.035 0.000 2.476 93 C HA -0.010 4.439 4.460 -0.019 0.000 0.278 93 C C 2.788 177.749 174.990 -0.049 0.000 1.274 93 C CA 0.978 59.924 59.018 -0.119 0.000 1.713 93 C CB -1.136 26.310 27.740 -0.491 0.000 2.039 93 C HN 0.726 nan 8.230 nan 0.000 0.484 94 R N 1.104 121.555 120.500 -0.080 0.000 2.103 94 R HA -0.147 4.182 4.340 -0.019 0.000 0.242 94 R C 2.185 178.467 176.300 -0.029 0.000 1.142 94 R CA 2.150 58.231 56.100 -0.031 0.000 0.960 94 R CB -0.782 29.491 30.300 -0.044 0.000 0.858 94 R HN 0.571 nan 8.270 nan 0.000 0.439 95 G N 0.139 108.766 108.800 -0.288 0.000 2.422 95 G HA2 -0.202 3.746 3.960 -0.019 0.000 0.218 95 G HA3 -0.202 3.746 3.960 -0.019 0.000 0.218 95 G C 1.447 175.995 174.900 -0.586 0.000 1.146 95 G CA 0.831 45.264 45.100 -1.112 0.000 0.769 95 G HN 0.243 nan 8.290 nan 0.000 0.547 96 V N 1.041 120.835 119.914 -0.200 0.000 2.343 96 V HA -0.139 3.969 4.120 -0.019 0.000 0.247 96 V C 2.925 179.052 176.094 0.055 0.000 1.051 96 V CA 1.496 63.820 62.300 0.040 0.000 1.036 96 V CB -0.426 31.559 31.823 0.271 0.000 0.654 96 V HN 0.359 nan 8.190 nan 0.000 0.451 97 L N -0.433 120.854 121.223 0.107 0.000 2.017 97 L HA -0.181 4.148 4.340 -0.019 0.000 0.208 97 L C 2.631 179.507 176.870 0.010 0.000 1.073 97 L CA 2.055 56.941 54.840 0.077 0.000 0.745 97 L CB -1.287 40.841 42.059 0.114 0.000 0.894 97 L HN 0.318 nan 8.230 nan 0.000 0.432 98 T N -0.897 113.663 114.554 0.010 0.000 2.803 98 T HA -0.206 4.133 4.350 -0.019 0.000 0.269 98 T C 2.045 176.747 174.700 0.002 0.000 1.052 98 T CA 1.479 63.578 62.100 -0.003 0.000 1.136 98 T CB -0.378 68.517 68.868 0.045 0.000 0.864 98 T HN 0.390 nan 8.240 nan 0.000 0.467 99 C N 0.698 120.015 119.300 0.029 0.000 2.462 99 C HA 0.099 4.548 4.460 -0.019 0.000 0.278 99 C C 2.675 177.662 174.990 -0.006 0.000 1.253 99 C CA 0.178 59.232 59.018 0.059 0.000 1.713 99 C CB -1.335 26.469 27.740 0.107 0.000 2.049 99 C HN 0.524 nan 8.230 nan 0.000 0.477 100 L N 0.508 121.693 121.223 -0.064 0.000 1.971 100 L HA -0.297 4.031 4.340 -0.019 0.000 0.215 100 L C 2.777 179.554 176.870 -0.156 0.000 1.072 100 L CA 2.131 56.860 54.840 -0.184 0.000 0.758 100 L CB -1.003 40.847 42.059 -0.348 0.000 0.889 100 L HN 0.472 nan 8.230 nan 0.000 0.433 101 Q N -0.096 119.648 119.800 -0.093 0.000 2.152 101 Q HA -0.202 4.127 4.340 -0.019 0.000 0.206 101 Q C 2.118 178.099 176.000 -0.032 0.000 0.985 101 Q CA 1.861 57.634 55.803 -0.051 0.000 0.863 101 Q CB -0.274 28.452 28.738 -0.021 0.000 0.904 101 Q HN 0.559 nan 8.270 nan 0.000 0.422 102 G N 0.723 109.514 108.800 -0.016 0.000 2.408 102 G HA2 -0.200 3.748 3.960 -0.019 0.000 0.217 102 G HA3 -0.200 3.748 3.960 -0.019 0.000 0.217 102 G C 1.283 176.176 174.900 -0.013 0.000 1.150 102 G CA 0.514 45.625 45.100 0.019 0.000 0.776 102 G HN 0.340 nan 8.290 nan 0.000 0.542 103 L N 0.281 121.455 121.223 -0.083 0.000 2.551 103 L HA 0.175 4.504 4.340 -0.019 0.000 0.228 103 L C 2.198 178.952 176.870 -0.193 0.000 1.153 103 L CA 0.648 55.380 54.840 -0.181 0.000 0.851 103 L CB -0.014 41.779 42.059 -0.444 0.000 0.959 103 L HN 0.453 nan 8.230 nan 0.000 0.451 104 G N -0.615 108.115 108.800 -0.117 0.000 2.195 104 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.224 104 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.224 104 G C 0.350 175.212 174.900 -0.063 0.000 0.990 104 G CA -0.251 44.814 45.100 -0.057 0.000 0.639 104 G HN 0.169 nan 8.290 nan 0.000 0.514 105 L N 0.434 121.571 121.223 -0.143 0.000 2.475 105 L HA 0.572 4.900 4.340 -0.019 0.000 0.250 105 L C 0.284 177.153 176.870 -0.001 0.000 1.224 105 L CA -0.130 54.674 54.840 -0.060 0.000 0.821 105 L CB 0.401 42.362 42.059 -0.162 0.000 1.141 105 L HN 0.164 nan 8.230 nan 0.000 0.494 106 D N -0.455 120.025 120.400 0.134 0.000 2.440 106 D HA 0.300 4.929 4.640 -0.019 0.000 0.252 106 D C -1.966 174.465 176.300 0.218 0.000 1.180 106 D CA -1.881 52.197 54.000 0.131 0.000 0.894 106 D CB 1.774 42.648 40.800 0.124 0.000 1.111 106 D HN 0.048 nan 8.370 nan 0.000 0.544 107 P HA -0.128 nan 4.420 nan 0.000 0.218 107 P C 1.139 178.585 177.300 0.244 0.000 1.146 107 P CA 1.171 64.380 63.100 0.182 0.000 0.813 107 P CB 0.244 32.002 31.700 0.096 0.000 0.778 108 A N -0.244 122.676 122.820 0.167 0.000 1.958 108 A HA -0.258 4.051 4.320 -0.019 0.000 0.221 108 A C 2.243 179.918 177.584 0.152 0.000 1.178 108 A CA 2.674 54.792 52.037 0.135 0.000 0.642 108 A CB -1.935 17.122 19.000 0.095 0.000 0.816 108 A HN 0.383 nan 8.150 nan 0.000 0.453 109 T N -4.383 110.281 114.554 0.184 0.000 3.067 109 T HA 0.055 4.394 4.350 -0.019 0.000 0.261 109 T C 0.899 175.697 174.700 0.163 0.000 1.110 109 T CA 0.593 62.774 62.100 0.134 0.000 1.113 109 T CB -0.335 68.576 68.868 0.073 0.000 0.917 109 T HN 0.586 nan 8.240 nan 0.000 0.499 110 R N 1.142 121.843 120.500 0.335 0.000 3.627 110 R HA -0.126 4.202 4.340 -0.019 0.000 0.281 110 R C -0.797 175.597 176.300 0.158 0.000 1.140 110 R CA 0.815 57.210 56.100 0.490 0.000 0.761 110 R CB -2.193 28.358 30.300 0.419 0.000 1.181 110 R HN 0.469 nan 8.270 nan 0.000 0.472 111 D N 1.054 121.275 120.400 -0.298 0.000 2.494 111 D HA 0.061 4.690 4.640 -0.019 0.000 0.217 111 D C 1.046 176.652 176.300 -1.156 0.000 1.153 111 D CA -0.204 53.437 54.000 -0.598 0.000 0.954 111 D CB 0.706 41.209 40.800 -0.495 0.000 1.034 111 D HN 0.072 nan 8.370 nan 0.000 0.518 112 L N 3.562 124.327 121.223 -0.763 0.000 2.079 112 L HA -0.194 4.134 4.340 -0.019 0.000 0.210 112 L C 1.997 178.613 176.870 -0.425 0.000 1.081 112 L CA 1.744 56.174 54.840 -0.685 0.000 0.752 112 L CB -0.185 41.386 42.059 -0.813 0.000 0.896 112 L HN 0.315 nan 8.230 nan 0.000 0.433 113 Q N -0.894 118.702 119.800 -0.341 0.000 2.124 113 Q HA -0.106 4.223 4.340 -0.019 0.000 0.202 113 Q C 2.377 178.274 176.000 -0.172 0.000 0.977 113 Q CA 1.660 57.343 55.803 -0.199 0.000 0.850 113 Q CB -0.710 27.939 28.738 -0.149 0.000 0.901 113 Q HN 0.462 nan 8.270 nan 0.000 0.429 114 V N 0.283 120.028 119.914 -0.282 0.000 2.379 114 V HA -0.230 3.879 4.120 -0.019 0.000 0.245 114 V C 1.935 177.990 176.094 -0.065 0.000 1.044 114 V CA 1.397 63.582 62.300 -0.192 0.000 1.036 114 V CB -0.723 30.951 31.823 -0.247 0.000 0.664 114 V HN 0.215 nan 8.190 nan 0.000 0.453 115 Y N 0.952 121.227 120.300 -0.041 0.000 2.165 115 Y HA -0.215 4.323 4.550 -0.019 0.000 0.286 115 Y C 2.639 178.629 175.900 0.149 0.000 1.155 115 Y CA 1.230 59.331 58.100 0.001 0.000 1.164 115 Y CB -1.022 37.413 38.460 -0.042 0.000 0.978 115 Y HN 0.163 nan 8.280 nan 0.000 0.513 116 R N 0.299 120.953 120.500 0.258 0.000 2.091 116 R HA -0.178 4.151 4.340 -0.019 0.000 0.238 116 R C 2.112 178.563 176.300 0.251 0.000 1.136 116 R CA 1.726 57.995 56.100 0.282 0.000 0.959 116 R CB -0.345 30.004 30.300 0.082 0.000 0.856 116 R HN 0.485 nan 8.270 nan 0.000 0.437 117 E N -0.496 119.780 120.200 0.128 0.000 2.118 117 E HA -0.273 4.066 4.350 -0.019 0.000 0.195 117 E C 1.643 178.292 176.600 0.083 0.000 0.992 117 E CA 1.363 57.812 56.400 0.081 0.000 0.804 117 E CB -0.238 29.482 29.700 0.033 0.000 0.741 117 E HN 0.432 nan 8.360 nan 0.000 0.458 118 Y N 0.457 120.711 120.300 -0.076 0.000 2.128 118 Y HA -0.296 4.242 4.550 -0.019 0.000 0.284 118 Y C 1.748 177.510 175.900 -0.230 0.000 1.154 118 Y CA 1.743 59.705 58.100 -0.229 0.000 1.149 118 Y CB -0.202 37.984 38.460 -0.458 0.000 0.976 118 Y HN -0.056 nan 8.280 nan 0.000 0.505 119 F N -0.143 120.002 119.950 0.325 0.000 2.234 119 F HA 0.019 4.535 4.527 -0.018 0.000 0.296 119 F C 2.591 178.474 175.800 0.138 0.000 1.089 119 F CA 0.868 59.041 58.000 0.288 0.000 1.343 119 F CB -1.209 37.919 39.000 0.214 0.000 1.040 119 F HN 0.101 nan 8.300 nan 0.000 0.498 120 A N 0.840 123.792 122.820 0.219 0.000 2.084 120 A HA -0.214 4.095 4.320 -0.019 0.000 0.221 120 A C 1.899 179.535 177.584 0.087 0.000 1.161 120 A CA 1.731 53.835 52.037 0.112 0.000 0.653 120 A CB -0.891 18.149 19.000 0.067 0.000 0.802 120 A HN 0.546 nan 8.150 nan 0.000 0.457 121 K N -0.650 119.778 120.400 0.047 0.000 2.437 121 K HA 0.282 4.590 4.320 -0.019 0.000 0.205 121 K C -0.198 176.406 176.600 0.007 0.000 1.026 121 K CA -0.194 56.096 56.287 0.006 0.000 1.153 121 K CB 0.317 32.785 32.500 -0.053 0.000 0.863 121 K HN 0.277 nan 8.250 nan 0.000 0.502 122 K N 1.103 121.567 120.400 0.106 0.000 2.352 122 K HA 0.287 4.596 4.320 -0.019 0.000 0.240 122 K C -0.440 176.288 176.600 0.213 0.000 1.017 122 K CA -0.892 55.451 56.287 0.094 0.000 0.851 122 K CB 1.883 34.407 32.500 0.039 0.000 1.261 122 K HN 0.122 nan 8.250 nan 0.000 0.451 123 T N -2.554 112.027 114.554 0.046 0.000 2.950 123 T HA 0.212 4.550 4.350 -0.019 0.000 0.288 123 T C 1.021 175.575 174.700 -0.243 0.000 1.035 123 T CA -0.770 61.356 62.100 0.044 0.000 1.028 123 T CB 1.595 70.469 68.868 0.011 0.000 1.109 123 T HN 0.367 nan 8.240 nan 0.000 0.514 124 S N 0.969 116.552 115.700 -0.194 0.000 2.369 124 S HA -0.183 4.276 4.470 -0.019 0.000 0.225 124 S C 1.912 176.272 174.600 -0.401 0.000 1.043 124 S CA 1.952 59.855 58.200 -0.494 0.000 1.074 124 S CB -0.635 62.493 63.200 -0.120 0.000 0.962 124 S HN 0.875 nan 8.310 nan 0.000 0.433 125 E N 1.169 121.253 120.200 -0.195 0.000 2.130 125 E HA -0.163 4.176 4.350 -0.019 0.000 0.196 125 E C 2.050 178.569 176.600 -0.135 0.000 0.998 125 E CA 1.315 57.638 56.400 -0.129 0.000 0.806 125 E CB -0.261 29.395 29.700 -0.072 0.000 0.738 125 E HN 0.626 nan 8.360 nan 0.000 0.459 126 E N -0.100 120.003 120.200 -0.163 0.000 2.046 126 E HA -0.205 4.134 4.350 -0.019 0.000 0.190 126 E C 2.100 178.607 176.600 -0.155 0.000 0.982 126 E CA 1.021 57.343 56.400 -0.132 0.000 0.800 126 E CB -0.063 29.570 29.700 -0.111 0.000 0.756 126 E HN 0.087 nan 8.360 nan 0.000 0.449 127 Q N 0.997 120.618 119.800 -0.299 0.000 2.124 127 Q HA -0.134 4.194 4.340 -0.019 0.000 0.202 127 Q C 2.070 177.982 176.000 -0.147 0.000 0.977 127 Q CA 1.208 56.860 55.803 -0.251 0.000 0.850 127 Q CB -0.186 28.182 28.738 -0.618 0.000 0.901 127 Q HN 0.098 nan 8.270 nan 0.000 0.429 128 V N 1.226 121.028 119.914 -0.187 0.000 2.255 128 V HA -0.296 3.813 4.120 -0.019 0.000 0.247 128 V C 1.805 177.898 176.094 -0.001 0.000 1.051 128 V CA 2.269 64.541 62.300 -0.047 0.000 1.018 128 V CB -0.703 31.120 31.823 -0.000 0.000 0.641 128 V HN 0.448 nan 8.190 nan 0.000 0.445 129 D N -0.234 120.155 120.400 -0.018 0.000 2.123 129 D HA -0.146 4.483 4.640 -0.019 0.000 0.196 129 D C 2.229 178.530 176.300 0.002 0.000 0.992 129 D CA 1.967 55.964 54.000 -0.004 0.000 0.833 129 D CB -0.390 40.401 40.800 -0.014 0.000 0.954 129 D HN 0.448 nan 8.370 nan 0.000 0.455 130 T N 0.980 115.538 114.554 0.006 0.000 2.643 130 T HA -0.097 4.241 4.350 -0.019 0.000 0.264 130 T C 2.361 177.091 174.700 0.050 0.000 1.045 130 T CA 1.049 63.172 62.100 0.038 0.000 1.155 130 T CB -0.460 68.453 68.868 0.074 0.000 0.863 130 T HN -0.032 nan 8.240 nan 0.000 0.420 131 V N 1.792 121.741 119.914 0.058 0.000 2.261 131 V HA -0.124 3.985 4.120 -0.019 0.000 0.246 131 V C 2.568 178.684 176.094 0.036 0.000 1.047 131 V CA 1.515 63.855 62.300 0.067 0.000 1.015 131 V CB -0.846 31.028 31.823 0.085 0.000 0.642 131 V HN 0.428 nan 8.190 nan 0.000 0.446 132 L N -0.100 121.133 121.223 0.016 0.000 2.187 132 L HA -0.218 4.110 4.340 -0.019 0.000 0.213 132 L C 2.694 179.544 176.870 -0.033 0.000 1.100 132 L CA 1.559 56.385 54.840 -0.023 0.000 0.765 132 L CB -0.576 41.461 42.059 -0.036 0.000 0.904 132 L HN 0.435 nan 8.230 nan 0.000 0.437 133 Q N 0.554 120.347 119.800 -0.012 0.000 2.062 133 Q HA -0.127 4.201 4.340 -0.019 0.000 0.196 133 Q C 2.331 178.326 176.000 -0.008 0.000 0.967 133 Q CA 1.319 57.113 55.803 -0.015 0.000 0.832 133 Q CB -0.002 28.734 28.738 -0.003 0.000 0.899 133 Q HN 0.522 nan 8.270 nan 0.000 0.442 134 L N 0.277 121.510 121.223 0.016 0.000 2.046 134 L HA -0.136 4.193 4.340 -0.019 0.000 0.208 134 L C 2.399 179.287 176.870 0.030 0.000 1.077 134 L CA 1.278 56.137 54.840 0.033 0.000 0.747 134 L CB -0.568 41.525 42.059 0.058 0.000 0.896 134 L HN 0.153 nan 8.230 nan 0.000 0.432 135 A N -0.964 121.871 122.820 0.025 0.000 2.206 135 A HA -0.119 4.190 4.320 -0.019 0.000 0.211 135 A C 1.050 178.582 177.584 -0.086 0.000 1.158 135 A CA 0.569 52.620 52.037 0.024 0.000 0.761 135 A CB -0.392 18.649 19.000 0.070 0.000 0.801 135 A HN 0.599 nan 8.150 nan 0.000 0.473 136 N N -1.120 117.522 118.700 -0.096 0.000 2.740 136 N HA -0.140 4.589 4.740 -0.019 0.000 0.248 136 N C -0.829 174.542 175.510 -0.232 0.000 1.062 136 N CA 0.936 53.899 53.050 -0.145 0.000 0.704 136 N CB -1.774 36.620 38.487 -0.155 0.000 0.968 136 N HN 0.160 nan 8.380 nan 0.000 0.547 137 V N 1.391 121.172 119.914 -0.223 0.000 2.350 137 V HA 0.276 4.384 4.120 -0.019 0.000 0.276 137 V C 1.557 177.540 176.094 -0.186 0.000 1.028 137 V CA 0.261 62.391 62.300 -0.283 0.000 0.860 137 V CB 1.437 33.095 31.823 -0.274 0.000 0.990 137 V HN 0.503 nan 8.190 nan 0.000 0.453 138 S N 2.376 117.982 115.700 -0.157 0.000 2.439 138 S HA 0.151 4.609 4.470 -0.019 0.000 0.224 138 S C 0.373 174.938 174.600 -0.059 0.000 1.029 138 S CA 0.101 58.248 58.200 -0.089 0.000 0.946 138 S CB 0.259 63.428 63.200 -0.052 0.000 0.797 138 S HN 0.717 nan 8.310 nan 0.000 0.504 139 D N 0.577 120.953 120.400 -0.040 0.000 2.879 139 D HA 0.498 5.127 4.640 -0.019 0.000 0.236 139 D C -1.693 174.567 176.300 -0.067 0.000 1.171 139 D CA -0.347 53.683 54.000 0.050 0.000 0.868 139 D CB 2.700 43.684 40.800 0.307 0.000 1.598 139 D HN 0.033 nan 8.370 nan 0.000 0.497 140 V N 2.191 122.014 119.914 -0.151 0.000 2.407 140 V HA 0.215 4.323 4.120 -0.019 0.000 0.291 140 V C 0.159 176.232 176.094 -0.035 0.000 1.018 140 V CA -0.755 61.414 62.300 -0.218 0.000 0.842 140 V CB 1.895 33.392 31.823 -0.543 0.000 0.996 140 V HN 0.313 nan 8.190 nan 0.000 0.426 141 V N 6.867 126.739 119.914 -0.071 0.000 2.461 141 V HA 0.397 4.505 4.120 -0.019 0.000 0.275 141 V C 0.432 176.467 176.094 -0.098 0.000 1.047 141 V CA -0.107 62.161 62.300 -0.052 0.000 0.955 141 V CB 1.242 32.945 31.823 -0.201 0.000 0.988 141 V HN 0.814 nan 8.190 nan 0.000 0.471 142 M N 2.808 122.370 119.600 -0.063 0.000 2.527 142 M HA 0.448 4.917 4.480 -0.019 0.000 0.283 142 M C 0.007 176.191 176.300 -0.193 0.000 1.188 142 M CA -0.355 54.831 55.300 -0.192 0.000 0.941 142 M CB 1.070 33.563 32.600 -0.177 0.000 1.498 142 M HN 0.442 nan 8.290 nan 0.000 0.510 143 T N 1.819 116.218 114.554 -0.258 0.000 2.842 143 T HA 0.358 4.697 4.350 -0.019 0.000 0.308 143 T C -0.745 174.000 174.700 0.075 0.000 1.041 143 T CA -0.807 61.252 62.100 -0.069 0.000 0.964 143 T CB -0.035 68.795 68.868 -0.064 0.000 0.972 143 T HN 0.445 nan 8.240 nan 0.000 0.460 144 N N 3.252 122.023 118.700 0.118 0.000 2.469 144 N HA 0.230 4.959 4.740 -0.019 0.000 0.253 144 N C -1.185 174.379 175.510 0.090 0.000 0.970 144 N CA -0.555 52.624 53.050 0.215 0.000 0.940 144 N CB 2.000 40.602 38.487 0.192 0.000 1.128 144 N HN 0.537 nan 8.380 nan 0.000 0.503 145 D N 2.770 123.266 120.400 0.160 0.000 2.454 145 D HA 0.219 4.848 4.640 -0.019 0.000 0.225 145 D C -1.625 174.627 176.300 -0.079 0.000 1.081 145 D CA -2.171 51.891 54.000 0.103 0.000 0.864 145 D CB 1.373 42.322 40.800 0.248 0.000 1.040 145 D HN 0.244 nan 8.370 nan 0.000 0.517 146 P HA -0.044 nan 4.420 nan 0.000 0.244 146 P C 0.448 177.326 177.300 -0.703 0.000 1.211 146 P CA 0.353 62.847 63.100 -1.010 0.000 0.760 146 P CB -0.122 30.177 31.700 -2.336 0.000 0.961 147 F N -0.207 119.751 119.950 0.013 0.000 2.731 147 F HA 0.199 4.713 4.527 -0.021 0.000 0.298 147 F C 0.998 176.922 175.800 0.208 0.000 1.106 147 F CA -0.306 57.833 58.000 0.232 0.000 1.329 147 F CB -0.231 38.894 39.000 0.208 0.000 1.100 147 F HN -0.116 nan 8.300 nan 0.000 0.592 148 D N 0.247 120.801 120.400 0.256 0.000 2.295 148 D HA 0.047 4.675 4.640 -0.019 0.000 0.248 148 D C 0.912 177.314 176.300 0.171 0.000 1.154 148 D CA 0.029 54.158 54.000 0.214 0.000 0.857 148 D CB 0.708 41.622 40.800 0.191 0.000 1.117 148 D HN -0.069 nan 8.370 nan 0.000 0.468 149 D N 3.141 123.648 120.400 0.178 0.000 2.106 149 D HA -0.197 4.431 4.640 -0.019 0.000 0.191 149 D C 1.331 177.696 176.300 0.108 0.000 0.997 149 D CA 1.026 55.117 54.000 0.152 0.000 0.834 149 D CB -0.002 40.888 40.800 0.150 0.000 0.956 149 D HN 0.487 nan 8.370 nan 0.000 0.448 150 N N 1.009 119.762 118.700 0.088 0.000 2.043 150 N HA -0.175 4.554 4.740 -0.019 0.000 0.193 150 N C 1.806 177.352 175.510 0.059 0.000 1.037 150 N CA 0.820 53.901 53.050 0.051 0.000 0.851 150 N CB -0.474 38.028 38.487 0.024 0.000 1.027 150 N HN 0.408 nan 8.380 nan 0.000 0.422 151 E N 0.741 120.997 120.200 0.093 0.000 2.085 151 E HA -0.144 4.194 4.350 -0.019 0.000 0.194 151 E C 2.087 178.872 176.600 0.310 0.000 0.994 151 E CA 0.722 57.228 56.400 0.177 0.000 0.801 151 E CB 0.063 29.895 29.700 0.221 0.000 0.743 151 E HN 0.217 nan 8.360 nan 0.000 0.453 152 R N 0.331 120.972 120.500 0.235 0.000 2.152 152 R HA -0.110 4.219 4.340 -0.019 0.000 0.232 152 R C 2.211 178.652 176.300 0.235 0.000 1.117 152 R CA 0.870 57.136 56.100 0.275 0.000 0.981 152 R CB -0.109 30.243 30.300 0.086 0.000 0.870 152 R HN 0.215 nan 8.270 nan 0.000 0.451 153 I N 0.044 120.686 120.570 0.119 0.000 2.099 153 I HA -0.308 3.850 4.170 -0.019 0.000 0.239 153 I C 2.182 178.294 176.117 -0.008 0.000 1.066 153 I CA 1.486 62.812 61.300 0.043 0.000 1.324 153 I CB -0.464 37.537 38.000 0.003 0.000 1.037 153 I HN 0.152 nan 8.210 nan 0.000 0.401 154 S N 0.189 115.834 115.700 -0.092 0.000 2.368 154 S HA -0.260 4.199 4.470 -0.019 0.000 0.226 154 S C 1.626 176.051 174.600 -0.291 0.000 1.044 154 S CA 1.934 59.930 58.200 -0.341 0.000 1.062 154 S CB -0.680 62.121 63.200 -0.664 0.000 0.931 154 S HN 0.446 nan 8.310 nan 0.000 0.440 155 W N 1.605 122.917 121.300 0.020 0.000 2.358 155 W HA 0.026 4.674 4.660 -0.020 0.000 0.303 155 W C 2.054 178.546 176.519 -0.044 0.000 1.208 155 W CA 0.385 57.768 57.345 0.064 0.000 1.274 155 W CB -0.548 29.081 29.460 0.283 0.000 1.138 155 W HN 0.223 nan 8.180 nan 0.000 0.515 156 L N -0.047 121.277 121.223 0.169 0.000 2.291 156 L HA -0.119 4.209 4.340 -0.019 0.000 0.214 156 L C 1.791 178.647 176.870 -0.023 0.000 1.120 156 L CA 1.129 55.983 54.840 0.023 0.000 0.799 156 L CB -0.625 41.439 42.059 0.009 0.000 0.925 156 L HN 0.068 nan 8.230 nan 0.000 0.446 157 E N -0.177 119.996 120.200 -0.047 0.000 2.502 157 E HA 0.020 4.359 4.350 -0.019 0.000 0.194 157 E C 1.394 177.934 176.600 -0.101 0.000 1.062 157 E CA 0.476 56.826 56.400 -0.084 0.000 0.867 157 E CB 0.243 29.872 29.700 -0.118 0.000 0.888 157 E HN 0.539 nan 8.360 nan 0.000 0.510 158 G N 2.038 110.784 108.800 -0.089 0.000 2.175 158 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.244 158 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.244 158 G C 0.044 174.851 174.900 -0.154 0.000 0.982 158 G CA -0.164 44.886 45.100 -0.084 0.000 0.641 158 G HN 0.151 nan 8.290 nan 0.000 0.527 159 K N 0.957 121.181 120.400 -0.293 0.000 2.451 159 K HA 0.366 4.675 4.320 -0.019 0.000 0.280 159 K C 0.191 176.504 176.600 -0.479 0.000 1.020 159 K CA 0.339 56.349 56.287 -0.461 0.000 1.008 159 K CB 0.417 32.457 32.500 -0.767 0.000 0.917 159 K HN 0.238 nan 8.250 nan 0.000 0.478 160 Q N 2.989 122.617 119.800 -0.288 0.000 2.377 160 Q HA 0.402 4.730 4.340 -0.019 0.000 0.271 160 Q C -2.357 173.647 176.000 0.006 0.000 1.077 160 Q CA -2.132 53.606 55.803 -0.109 0.000 0.820 160 Q CB 1.801 30.534 28.738 -0.008 0.000 1.347 160 Q HN 0.464 nan 8.270 nan 0.000 0.444 161 P HA 0.072 nan 4.420 nan 0.000 0.276 161 P C -0.797 176.569 177.300 0.110 0.000 1.244 161 P CA -0.357 62.862 63.100 0.198 0.000 0.801 161 P CB 0.738 32.552 31.700 0.191 0.000 1.006 162 D N -0.906 119.561 120.400 0.112 0.000 2.357 162 D HA 0.006 4.635 4.640 -0.019 0.000 0.242 162 D C 1.314 177.673 176.300 0.098 0.000 1.153 162 D CA -0.446 53.614 54.000 0.100 0.000 0.918 162 D CB 0.140 41.004 40.800 0.107 0.000 1.181 162 D HN 0.253 nan 8.370 nan 0.000 0.435 163 S N 0.981 116.699 115.700 0.029 0.000 2.461 163 S HA -0.320 4.139 4.470 -0.019 0.000 0.249 163 S C 1.532 176.085 174.600 -0.079 0.000 1.012 163 S CA 0.888 59.064 58.200 -0.041 0.000 0.982 163 S CB -0.503 62.683 63.200 -0.025 0.000 0.764 163 S HN 0.577 nan 8.310 nan 0.000 0.506 164 R N -0.588 119.922 120.500 0.016 0.000 2.200 164 R HA 0.296 4.625 4.340 -0.019 0.000 0.208 164 R C -0.406 175.756 176.300 -0.230 0.000 1.033 164 R CA 0.398 56.457 56.100 -0.069 0.000 1.000 164 R CB 0.015 30.263 30.300 -0.087 0.000 0.906 164 R HN 0.440 nan 8.270 nan 0.000 0.462 165 F N 0.126 120.017 119.950 -0.099 0.000 2.443 165 F HA 0.305 4.820 4.527 -0.019 0.000 0.335 165 F C 0.097 175.784 175.800 -0.188 0.000 1.104 165 F CA -1.025 56.947 58.000 -0.046 0.000 1.013 165 F CB 1.354 40.330 39.000 -0.041 0.000 1.136 165 F HN -0.088 nan 8.300 nan 0.000 0.470 166 H N 0.807 120.007 119.070 0.218 0.000 2.569 166 H HA 0.710 5.254 4.556 -0.019 0.000 0.357 166 H C -0.456 174.957 175.328 0.141 0.000 1.153 166 H CA -1.015 55.157 56.048 0.208 0.000 1.193 166 H CB 1.477 31.396 29.762 0.262 0.000 1.602 166 H HN 0.730 nan 8.280 nan 0.000 0.523 167 A N 1.394 124.366 122.820 0.253 0.000 2.302 167 A HA 0.782 5.090 4.320 -0.019 0.000 0.285 167 A C -0.456 177.098 177.584 -0.051 0.000 1.105 167 A CA -0.037 52.088 52.037 0.146 0.000 0.816 167 A CB 0.222 19.337 19.000 0.192 0.000 1.067 167 A HN 0.823 nan 8.150 nan 0.000 0.489 168 A N 1.162 123.902 122.820 -0.132 0.000 2.408 168 A HA 0.553 4.862 4.320 -0.019 0.000 0.295 168 A C -1.065 176.447 177.584 -0.121 0.000 1.040 168 A CA -0.473 51.383 52.037 -0.301 0.000 0.707 168 A CB 0.907 19.594 19.000 -0.522 0.000 1.235 168 A HN 1.451 nan 8.150 nan 0.000 0.418 169 L N 2.756 123.928 121.223 -0.085 0.000 2.342 169 L HA 0.399 4.727 4.340 -0.019 0.000 0.285 169 L C 0.690 177.597 176.870 0.062 0.000 1.095 169 L CA 0.111 54.922 54.840 -0.049 0.000 0.843 169 L CB 0.140 42.159 42.059 -0.066 0.000 1.201 169 L HN 0.707 nan 8.230 nan 0.000 0.445 170 R N 5.037 125.589 120.500 0.087 0.000 2.298 170 R HA 0.293 4.622 4.340 -0.019 0.000 0.310 170 R C -0.213 176.225 176.300 0.230 0.000 1.068 170 R CA -0.169 56.032 56.100 0.168 0.000 0.957 170 R CB 0.433 30.849 30.300 0.194 0.000 1.003 170 R HN 0.882 nan 8.270 nan 0.000 0.454 171 L N 3.793 125.153 121.223 0.228 0.000 2.959 171 L HA 0.165 4.493 4.340 -0.019 0.000 0.259 171 L C 0.564 177.504 176.870 0.117 0.000 1.185 171 L CA -0.324 54.671 54.840 0.259 0.000 0.998 171 L CB 0.450 42.646 42.059 0.229 0.000 1.337 171 L HN 0.669 nan 8.230 nan 0.000 0.555 172 D N 1.621 122.078 120.400 0.095 0.000 2.154 172 D HA -0.200 4.428 4.640 -0.019 0.000 0.190 172 D C -0.701 175.542 176.300 -0.095 0.000 1.003 172 D CA 1.778 55.796 54.000 0.030 0.000 0.849 172 D CB -1.121 39.722 40.800 0.071 0.000 0.942 172 D HN 0.237 nan 8.370 nan 0.000 0.446 173 P HA -0.095 nan 4.420 nan 0.000 0.217 173 P C 1.582 178.577 177.300 -0.507 0.000 1.150 173 P CA 0.655 63.453 63.100 -0.503 0.000 0.832 173 P CB 0.060 31.181 31.700 -0.964 0.000 0.787 174 L N -1.572 119.335 121.223 -0.526 0.000 2.072 174 L HA -0.081 4.248 4.340 -0.019 0.000 0.205 174 L C 1.912 178.771 176.870 -0.019 0.000 1.079 174 L CA 1.943 56.681 54.840 -0.170 0.000 0.752 174 L CB -1.199 40.893 42.059 0.055 0.000 0.906 174 L HN -0.158 nan 8.230 nan 0.000 0.436 175 L N -0.315 120.892 121.223 -0.026 0.000 2.162 175 L HA 0.017 4.346 4.340 -0.019 0.000 0.205 175 L C 1.941 178.816 176.870 0.008 0.000 1.086 175 L CA 1.168 56.005 54.840 -0.004 0.000 0.778 175 L CB -0.885 41.204 42.059 0.049 0.000 0.928 175 L HN 0.333 nan 8.230 nan 0.000 0.446 176 N N -0.507 118.195 118.700 0.004 0.000 2.282 176 N HA 0.035 4.764 4.740 -0.019 0.000 0.185 176 N C 0.103 175.617 175.510 0.007 0.000 1.099 176 N CA 0.289 53.351 53.050 0.020 0.000 0.878 176 N CB 0.401 38.907 38.487 0.032 0.000 0.993 176 N HN 0.409 nan 8.380 nan 0.000 0.481 177 E N -0.568 119.619 120.200 -0.022 0.000 3.729 177 E HA 0.080 4.419 4.350 -0.019 0.000 0.195 177 E C -0.167 176.407 176.600 -0.044 0.000 1.005 177 E CA -0.249 56.130 56.400 -0.034 0.000 1.356 177 E CB 0.155 29.814 29.700 -0.068 0.000 1.138 177 E HN 0.092 nan 8.360 nan 0.000 0.450 178 Y N 2.187 122.407 120.300 -0.134 0.000 2.165 178 Y HA -0.248 4.294 4.550 -0.013 0.000 0.286 178 Y C 2.013 177.832 175.900 -0.136 0.000 1.155 178 Y CA 1.772 59.783 58.100 -0.148 0.000 1.164 178 Y CB 0.359 38.727 38.460 -0.154 0.000 0.978 178 Y HN 0.091 nan 8.280 nan 0.000 0.513 179 E N 0.101 120.222 120.200 -0.132 0.000 2.171 179 E HA -0.246 4.093 4.350 -0.019 0.000 0.197 179 E C 1.966 178.433 176.600 -0.222 0.000 0.997 179 E CA 1.736 58.022 56.400 -0.190 0.000 0.810 179 E CB -0.193 29.476 29.700 -0.051 0.000 0.738 179 E HN 0.653 nan 8.360 nan 0.000 0.467 180 Q N -0.896 118.817 119.800 -0.145 0.000 2.204 180 Q HA 0.058 4.387 4.340 -0.019 0.000 0.198 180 Q C 2.152 178.067 176.000 -0.141 0.000 0.946 180 Q CA 1.233 57.004 55.803 -0.054 0.000 0.859 180 Q CB -0.145 28.575 28.738 -0.030 0.000 0.946 180 Q HN 0.107 nan 8.270 nan 0.000 0.474 181 T N 1.896 116.298 114.554 -0.253 0.000 2.867 181 T HA -0.142 4.197 4.350 -0.019 0.000 0.268 181 T C 1.556 176.015 174.700 -0.402 0.000 1.057 181 T CA 1.398 63.325 62.100 -0.288 0.000 1.136 181 T CB -0.168 68.518 68.868 -0.304 0.000 0.874 181 T HN 0.417 nan 8.240 nan 0.000 0.466 182 K N 1.043 121.027 120.400 -0.695 0.000 2.113 182 K HA -0.242 4.067 4.320 -0.019 0.000 0.208 182 K C 1.840 178.162 176.600 -0.464 0.000 1.047 182 K CA 1.691 57.531 56.287 -0.744 0.000 0.928 182 K CB -0.568 31.311 32.500 -1.036 0.000 0.716 182 K HN 0.397 nan 8.250 nan 0.000 0.446 183 H N 1.283 120.188 119.070 -0.275 0.000 2.353 183 H HA 0.010 4.566 4.556 -0.000 0.000 0.300 183 H C 2.253 177.414 175.328 -0.279 0.000 1.090 183 H CA 1.574 57.495 56.048 -0.211 0.000 1.327 183 H CB -0.106 29.556 29.762 -0.168 0.000 1.383 183 H HN 0.337 nan 8.280 nan 0.000 0.508 184 R N 0.278 120.608 120.500 -0.283 0.000 2.115 184 R HA -0.021 4.307 4.340 -0.019 0.000 0.230 184 R C 2.582 178.314 176.300 -0.946 0.000 1.111 184 R CA 0.504 56.193 56.100 -0.686 0.000 0.976 184 R CB -0.106 29.741 30.300 -0.754 0.000 0.870 184 R HN 0.217 nan 8.270 nan 0.000 0.445 185 L N 0.957 121.903 121.223 -0.463 0.000 1.976 185 L HA -0.181 4.147 4.340 -0.019 0.000 0.209 185 L C 2.676 179.621 176.870 0.126 0.000 1.071 185 L CA 1.596 56.393 54.840 -0.072 0.000 0.746 185 L CB -0.512 41.535 42.059 -0.021 0.000 0.890 185 L HN 0.234 nan 8.230 nan 0.000 0.432 186 R N -0.181 120.336 120.500 0.027 0.000 2.193 186 R HA -0.195 4.134 4.340 -0.019 0.000 0.229 186 R C 1.433 177.757 176.300 0.041 0.000 1.110 186 R CA 1.892 58.033 56.100 0.069 0.000 0.988 186 R CB -0.736 29.586 30.300 0.036 0.000 0.871 186 R HN 0.318 nan 8.270 nan 0.000 0.458 187 D N -0.154 120.206 120.400 -0.068 0.000 2.224 187 D HA -0.107 4.522 4.640 -0.019 0.000 0.205 187 D C 0.540 176.902 176.300 0.103 0.000 0.965 187 D CA 0.809 54.765 54.000 -0.074 0.000 0.852 187 D CB 0.130 40.773 40.800 -0.263 0.000 0.947 187 D HN 0.338 nan 8.370 nan 0.000 0.494 188 W N -0.229 121.178 121.300 0.179 0.000 3.239 188 W HA 0.455 5.109 4.660 -0.010 0.000 0.368 188 W C 1.331 177.830 176.519 -0.034 0.000 1.154 188 W CA 0.432 57.879 57.345 0.170 0.000 1.860 188 W CB -0.130 29.564 29.460 0.390 0.000 1.094 188 W HN 0.082 nan 8.180 nan 0.000 0.643 189 G N -0.058 108.810 108.800 0.113 0.000 2.175 189 G HA2 -0.308 3.640 3.960 -0.019 0.000 0.244 189 G HA3 -0.308 3.640 3.960 -0.019 0.000 0.244 189 G C -0.393 174.385 174.900 -0.204 0.000 0.982 189 G CA -0.400 44.645 45.100 -0.091 0.000 0.641 189 G HN 0.200 nan 8.290 nan 0.000 0.527 190 Y N 1.517 121.950 120.300 0.222 0.000 2.518 190 Y HA 0.490 5.028 4.550 -0.021 0.000 0.344 190 Y C 0.747 176.721 175.900 0.123 0.000 0.982 190 Y CA -1.033 57.187 58.100 0.200 0.000 1.234 190 Y CB 1.069 39.701 38.460 0.287 0.000 1.114 190 Y HN -0.117 nan 8.280 nan 0.000 0.515 191 K N 3.434 123.944 120.400 0.182 0.000 2.686 191 K HA 0.097 4.406 4.320 -0.019 0.000 0.244 191 K C -0.162 176.505 176.600 0.110 0.000 1.262 191 K CA -0.178 56.178 56.287 0.116 0.000 1.199 191 K CB -1.230 31.313 32.500 0.072 0.000 1.428 191 K HN 0.471 nan 8.250 nan 0.000 0.247 192 V N -0.752 119.240 119.914 0.130 0.000 2.649 192 V HA 0.274 4.383 4.120 -0.019 0.000 0.292 192 V C 0.270 176.412 176.094 0.081 0.000 1.055 192 V CA -1.043 61.329 62.300 0.121 0.000 1.023 192 V CB 0.649 32.593 31.823 0.201 0.000 0.992 192 V HN 0.324 nan 8.190 nan 0.000 0.480 193 N N 2.790 121.534 118.700 0.074 0.000 2.447 193 N HA 0.309 5.037 4.740 -0.019 0.000 0.271 193 N C 0.533 176.094 175.510 0.085 0.000 1.226 193 N CA -0.452 52.634 53.050 0.061 0.000 0.980 193 N CB 0.432 38.945 38.487 0.044 0.000 1.206 193 N HN 0.719 nan 8.380 nan 0.000 0.558 194 D N -0.071 120.368 120.400 0.065 0.000 2.144 194 D HA -0.112 4.517 4.640 -0.019 0.000 0.200 194 D C 0.226 176.603 176.300 0.129 0.000 0.978 194 D CA 1.128 55.167 54.000 0.066 0.000 0.833 194 D CB -0.066 40.764 40.800 0.051 0.000 0.961 194 D HN 0.701 nan 8.370 nan 0.000 0.470 195 E N -0.306 119.970 120.200 0.126 0.000 2.319 195 E HA 0.032 4.371 4.350 -0.019 0.000 0.268 195 E C -0.360 176.381 176.600 0.236 0.000 1.050 195 E CA -0.854 55.644 56.400 0.164 0.000 0.878 195 E CB 1.007 30.772 29.700 0.107 0.000 1.066 195 E HN 0.087 nan 8.360 nan 0.000 0.406 196 W N 5.295 126.624 121.300 0.048 0.000 2.507 196 W HA 0.095 4.741 4.660 -0.022 0.000 0.334 196 W C -1.181 175.354 176.519 0.026 0.000 1.165 196 W CA -0.424 56.943 57.345 0.036 0.000 1.460 196 W CB 0.236 29.701 29.460 0.009 0.000 1.404 196 W HN 0.769 nan 8.180 nan 0.000 0.435 197 N N 1.539 120.058 118.700 -0.302 0.000 3.167 197 N HA 0.150 4.878 4.740 -0.019 0.000 0.323 197 N C 0.526 175.801 175.510 -0.392 0.000 1.478 197 N CA -0.568 52.328 53.050 -0.256 0.000 0.753 197 N CB 0.268 38.692 38.487 -0.105 0.000 1.721 197 N HN 0.126 nan 8.380 nan 0.000 0.618 198 E N -0.404 119.660 120.200 -0.228 0.000 2.130 198 E HA -0.056 4.283 4.350 -0.019 0.000 0.196 198 E C 1.689 178.171 176.600 -0.196 0.000 0.998 198 E CA 2.133 58.415 56.400 -0.197 0.000 0.806 198 E CB -0.957 28.683 29.700 -0.100 0.000 0.738 198 E HN 0.744 nan 8.360 nan 0.000 0.459 199 G N -0.593 108.115 108.800 -0.154 0.000 2.433 199 G HA2 -0.269 3.679 3.960 -0.019 0.000 0.216 199 G HA3 -0.269 3.679 3.960 -0.019 0.000 0.216 199 G C 1.836 176.653 174.900 -0.138 0.000 1.186 199 G CA 1.081 46.118 45.100 -0.104 0.000 0.779 199 G HN 0.341 nan 8.290 nan 0.000 0.543 200 S N 0.614 116.170 115.700 -0.240 0.000 2.368 200 S HA -0.055 4.404 4.470 -0.019 0.000 0.225 200 S C 2.285 176.615 174.600 -0.449 0.000 1.030 200 S CA 0.975 59.009 58.200 -0.277 0.000 0.999 200 S CB -0.248 62.761 63.200 -0.319 0.000 0.844 200 S HN 0.380 nan 8.310 nan 0.000 0.459 201 I N 1.650 121.771 120.570 -0.749 0.000 2.163 201 I HA -0.236 3.923 4.170 -0.019 0.000 0.243 201 I C 2.717 178.739 176.117 -0.157 0.000 1.085 201 I CA 1.136 62.108 61.300 -0.546 0.000 1.347 201 I CB -0.384 37.342 38.000 -0.458 0.000 1.044 201 I HN 0.263 nan 8.210 nan 0.000 0.408 202 Q N 0.417 120.150 119.800 -0.113 0.000 2.084 202 Q HA -0.182 4.147 4.340 -0.019 0.000 0.202 202 Q C 2.125 178.166 176.000 0.068 0.000 0.978 202 Q CA 1.301 57.100 55.803 -0.007 0.000 0.844 202 Q CB -0.327 28.407 28.738 -0.005 0.000 0.898 202 Q HN 0.513 nan 8.270 nan 0.000 0.426 203 E N 0.122 120.371 120.200 0.083 0.000 2.072 203 E HA -0.082 4.257 4.350 -0.019 0.000 0.191 203 E C 2.229 178.965 176.600 0.227 0.000 0.985 203 E CA 0.634 57.160 56.400 0.210 0.000 0.801 203 E CB -0.111 29.725 29.700 0.227 0.000 0.750 203 E HN 0.123 nan 8.360 nan 0.000 0.452 204 V N 1.684 121.700 119.914 0.170 0.000 2.407 204 V HA -0.241 3.868 4.120 -0.019 0.000 0.248 204 V C 2.208 178.423 176.094 0.201 0.000 1.055 204 V CA 1.672 64.096 62.300 0.205 0.000 1.049 204 V CB -0.363 31.622 31.823 0.269 0.000 0.662 204 V HN 0.215 nan 8.190 nan 0.000 0.455 205 K N -0.279 120.207 120.400 0.143 0.000 2.097 205 K HA -0.158 4.150 4.320 -0.019 0.000 0.205 205 K C 2.414 179.080 176.600 0.111 0.000 1.050 205 K CA 1.238 57.590 56.287 0.107 0.000 0.938 205 K CB -0.229 32.318 32.500 0.077 0.000 0.718 205 K HN 0.279 nan 8.250 nan 0.000 0.442 206 R N 0.277 120.871 120.500 0.155 0.000 2.081 206 R HA -0.148 4.181 4.340 -0.019 0.000 0.235 206 R C 2.213 178.613 176.300 0.165 0.000 1.131 206 R CA 1.443 57.660 56.100 0.195 0.000 0.960 206 R CB -0.287 30.199 30.300 0.310 0.000 0.856 206 R HN 0.164 nan 8.270 nan 0.000 0.436 207 F N 1.361 121.226 119.950 -0.140 0.000 2.069 207 F HA -0.229 4.289 4.527 -0.016 0.000 0.298 207 F C 1.830 177.618 175.800 -0.019 0.000 1.113 207 F CA 1.607 59.334 58.000 -0.455 0.000 1.214 207 F CB -0.341 38.305 39.000 -0.590 0.000 0.978 207 F HN -0.030 nan 8.300 nan 0.000 0.474 208 L N -0.525 120.738 121.223 0.067 0.000 2.017 208 L HA -0.243 4.085 4.340 -0.019 0.000 0.208 208 L C 2.380 179.177 176.870 -0.121 0.000 1.073 208 L CA 1.899 56.725 54.840 -0.024 0.000 0.745 208 L CB -1.300 40.780 42.059 0.034 0.000 0.894 208 L HN 0.169 nan 8.230 nan 0.000 0.432 209 T N -0.977 113.517 114.554 -0.098 0.000 2.746 209 T HA -0.169 4.170 4.350 -0.019 0.000 0.267 209 T C 1.457 176.095 174.700 -0.103 0.000 1.039 209 T CA 1.448 63.475 62.100 -0.121 0.000 1.142 209 T CB -0.251 68.608 68.868 -0.014 0.000 0.866 209 T HN 0.311 nan 8.240 nan 0.000 0.444 210 D N 0.159 120.490 120.400 -0.115 0.000 2.123 210 D HA -0.081 4.548 4.640 -0.019 0.000 0.196 210 D C 1.682 177.749 176.300 -0.389 0.000 0.992 210 D CA 0.966 54.837 54.000 -0.216 0.000 0.833 210 D CB -0.322 40.360 40.800 -0.197 0.000 0.954 210 D HN 0.555 nan 8.370 nan 0.000 0.455 211 W N 0.847 121.918 121.300 -0.381 0.000 2.467 211 W HA 0.135 4.783 4.660 -0.020 0.000 0.275 211 W C 2.325 178.645 176.519 -0.332 0.000 1.239 211 W CA -0.039 57.046 57.345 -0.432 0.000 1.266 211 W CB -0.244 28.835 29.460 -0.635 0.000 1.112 211 W HN -0.078 nan 8.180 nan 0.000 0.576 212 I N -0.003 120.519 120.570 -0.080 0.000 2.315 212 I HA -0.260 3.898 4.170 -0.019 0.000 0.248 212 I C 2.431 178.515 176.117 -0.055 0.000 1.117 212 I CA 1.497 62.745 61.300 -0.086 0.000 1.404 212 I CB -0.388 37.513 38.000 -0.165 0.000 1.071 212 I HN 0.028 nan 8.210 nan 0.000 0.419 213 E N 1.056 121.214 120.200 -0.069 0.000 2.106 213 E HA -0.249 4.090 4.350 -0.019 0.000 0.192 213 E C 2.359 178.916 176.600 -0.072 0.000 0.984 213 E CA 0.894 57.267 56.400 -0.045 0.000 0.806 213 E CB 0.089 29.758 29.700 -0.051 0.000 0.750 213 E HN 0.288 nan 8.360 nan 0.000 0.458 214 R N -0.541 119.863 120.500 -0.160 0.000 2.119 214 R HA 0.028 4.356 4.340 -0.019 0.000 0.222 214 R C 2.003 178.268 176.300 -0.059 0.000 1.088 214 R CA 1.023 57.030 56.100 -0.155 0.000 0.984 214 R CB 0.142 30.193 30.300 -0.416 0.000 0.884 214 R HN 0.236 nan 8.270 nan 0.000 0.447 215 M N -0.684 118.820 119.600 -0.159 0.000 2.514 215 M HA 0.051 4.520 4.480 -0.019 0.000 0.258 215 M C -0.155 176.143 176.300 -0.004 0.000 1.159 215 M CA 0.168 55.322 55.300 -0.243 0.000 1.116 215 M CB 0.547 32.844 32.600 -0.504 0.000 1.333 215 M HN -0.030 nan 8.290 nan 0.000 0.487 216 D N 2.084 122.488 120.400 0.007 0.000 2.735 216 D HA -0.096 4.533 4.640 -0.019 0.000 0.235 216 D C -2.303 174.035 176.300 0.064 0.000 1.175 216 D CA 0.120 54.152 54.000 0.055 0.000 0.683 216 D CB -0.182 40.674 40.800 0.093 0.000 1.008 216 D HN 0.182 nan 8.370 nan 0.000 0.416 217 P HA 0.071 nan 4.420 nan 0.000 0.274 217 P C 1.346 178.644 177.300 -0.004 0.000 1.231 217 P CA -0.267 62.819 63.100 -0.022 0.000 0.790 217 P CB 1.402 33.051 31.700 -0.084 0.000 0.951 218 V N -0.489 119.393 119.914 -0.054 0.000 3.041 218 V HA 0.045 4.153 4.120 -0.019 0.000 0.260 218 V C 0.435 176.544 176.094 0.025 0.000 1.105 218 V CA 0.989 63.286 62.300 -0.005 0.000 1.125 218 V CB -1.940 29.909 31.823 0.044 0.000 0.730 218 V HN 0.674 nan 8.190 nan 0.000 0.479 219 Y N -3.555 116.771 120.300 0.042 0.000 2.774 219 Y HA 0.736 5.274 4.550 -0.019 0.000 0.346 219 Y C -1.134 174.785 175.900 0.032 0.000 1.222 219 Y CA -2.557 55.556 58.100 0.022 0.000 1.088 219 Y CB 0.672 39.142 38.460 0.017 0.000 1.354 219 Y HN -0.047 nan 8.280 nan 0.000 0.455 220 M N 2.212 122.026 119.600 0.357 0.000 2.404 220 M HA 0.869 5.337 4.480 -0.019 0.000 0.338 220 M C -0.516 176.043 176.300 0.431 0.000 1.150 220 M CA -0.742 54.727 55.300 0.282 0.000 1.016 220 M CB 2.105 34.793 32.600 0.147 0.000 1.672 220 M HN 0.952 nan 8.290 nan 0.000 0.448 221 A N 2.081 125.103 122.820 0.338 0.000 2.566 221 A HA 0.952 5.261 4.320 -0.019 0.000 0.292 221 A C -1.715 175.972 177.584 0.172 0.000 1.112 221 A CA -0.749 51.419 52.037 0.218 0.000 0.707 221 A CB 2.128 21.222 19.000 0.156 0.000 1.302 221 A HN 0.662 nan 8.150 nan 0.000 0.409 222 V N 0.494 120.424 119.914 0.027 0.000 3.077 222 V HA 0.723 4.831 4.120 -0.019 0.000 0.299 222 V C -0.690 175.348 176.094 -0.093 0.000 1.276 222 V CA 0.172 62.487 62.300 0.026 0.000 0.993 222 V CB 2.557 34.442 31.823 0.104 0.000 1.076 222 V HN 1.778 nan 8.190 nan 0.000 0.434 223 S N 6.216 121.913 115.700 -0.006 0.000 2.475 223 S HA 0.883 5.341 4.470 -0.019 0.000 0.298 223 S C -0.921 173.691 174.600 0.020 0.000 1.119 223 S CA -0.664 57.554 58.200 0.030 0.000 1.085 223 S CB 1.344 64.681 63.200 0.228 0.000 1.028 223 S HN 0.727 nan 8.310 nan 0.000 0.489 224 L N 2.938 124.148 121.223 -0.021 0.000 2.341 224 L HA 0.675 5.003 4.340 -0.019 0.000 0.267 224 L C -2.337 174.574 176.870 0.069 0.000 1.009 224 L CA -2.683 52.126 54.840 -0.052 0.000 0.819 224 L CB 2.425 44.260 42.059 -0.374 0.000 1.323 224 L HN 0.483 nan 8.230 nan 0.000 0.425 225 P HA 0.212 nan 4.420 nan 0.000 0.276 225 P C -2.465 174.905 177.300 0.116 0.000 1.261 225 P CA -1.615 61.550 63.100 0.107 0.000 0.800 225 P CB 0.541 32.305 31.700 0.107 0.000 1.066 226 P HA -0.109 nan 4.420 nan 0.000 0.219 226 P C 1.278 178.624 177.300 0.077 0.000 1.146 226 P CA 1.929 65.056 63.100 0.046 0.000 0.808 226 P CB -0.580 31.110 31.700 -0.018 0.000 0.779 227 T N -4.992 109.614 114.554 0.086 0.000 3.194 227 T HA 0.038 4.377 4.350 -0.019 0.000 0.251 227 T C 0.384 175.147 174.700 0.106 0.000 1.132 227 T CA -0.462 61.681 62.100 0.071 0.000 1.028 227 T CB -1.181 67.716 68.868 0.048 0.000 0.976 227 T HN -0.127 nan 8.240 nan 0.000 0.535 228 F N 4.336 124.297 119.950 0.019 0.000 2.623 228 F HA 0.351 4.866 4.527 -0.020 0.000 0.383 228 F C 0.425 176.245 175.800 0.034 0.000 1.077 228 F CA -0.351 57.668 58.000 0.032 0.000 1.268 228 F CB 0.208 39.229 39.000 0.034 0.000 1.053 228 F HN 0.343 nan 8.300 nan 0.000 0.571 229 S N 6.123 121.323 115.700 -0.833 0.000 2.579 229 S HA 0.792 5.251 4.470 -0.019 0.000 0.272 229 S C -1.392 172.754 174.600 -0.757 0.000 1.141 229 S CA -0.837 56.948 58.200 -0.692 0.000 0.843 229 S CB 2.079 65.093 63.200 -0.310 0.000 1.122 229 S HN 0.824 nan 8.310 nan 0.000 0.468 230 F N 1.070 120.636 119.950 -0.639 0.000 2.639 230 F HA 0.630 5.145 4.527 -0.020 0.000 0.320 230 F C -3.046 172.477 175.800 -0.461 0.000 1.128 230 F CA -1.269 56.459 58.000 -0.452 0.000 1.037 230 F CB 1.640 40.441 39.000 -0.331 0.000 1.288 230 F HN 0.530 nan 8.300 nan 0.000 0.463 231 P HA 0.282 nan 4.420 nan 0.000 0.271 231 P C -1.653 175.223 177.300 -0.706 0.000 1.244 231 P CA -0.024 62.270 63.100 -1.343 0.000 0.793 231 P CB 0.668 31.831 31.700 -0.895 0.000 0.984 232 E N 0.132 119.985 120.200 -0.577 0.000 2.388 232 E HA 0.113 4.452 4.350 -0.019 0.000 0.289 232 E C -1.158 175.299 176.600 -0.238 0.000 0.944 232 E CA -0.490 55.719 56.400 -0.318 0.000 0.792 232 E CB 1.002 30.557 29.700 -0.241 0.000 1.239 232 E HN 0.187 nan 8.360 nan 0.000 0.412 233 E N 2.282 122.377 120.200 -0.175 0.000 1.865 233 E HA 0.232 4.570 4.350 -0.019 0.000 0.269 233 E C -1.002 175.524 176.600 -0.123 0.000 1.177 233 E CA 0.202 56.520 56.400 -0.137 0.000 0.932 233 E CB 0.539 30.180 29.700 -0.097 0.000 1.066 233 E HN 0.524 nan 8.360 nan 0.000 0.405 234 S N 1.011 116.620 115.700 -0.151 0.000 2.636 234 S HA 0.268 4.727 4.470 -0.019 0.000 0.266 234 S C 0.654 175.117 174.600 -0.228 0.000 1.147 234 S CA -0.851 57.266 58.200 -0.139 0.000 0.815 234 S CB 0.633 63.779 63.200 -0.089 0.000 1.119 234 S HN 0.322 nan 8.310 nan 0.000 0.470 235 N N 0.617 119.178 118.700 -0.231 0.000 2.043 235 N HA -0.145 4.583 4.740 -0.019 0.000 0.193 235 N C 2.014 177.294 175.510 -0.383 0.000 1.037 235 N CA 1.329 54.137 53.050 -0.403 0.000 0.851 235 N CB -0.257 38.094 38.487 -0.227 0.000 1.027 235 N HN 0.590 nan 8.380 nan 0.000 0.422 236 R N 0.852 121.253 120.500 -0.165 0.000 2.083 236 R HA -0.117 4.212 4.340 -0.019 0.000 0.237 236 R C 2.271 178.581 176.300 0.017 0.000 1.137 236 R CA 1.747 57.820 56.100 -0.045 0.000 0.951 236 R CB -0.526 29.829 30.300 0.092 0.000 0.851 236 R HN 0.258 nan 8.270 nan 0.000 0.434 237 G N 0.519 109.317 108.800 -0.003 0.000 2.418 237 G HA2 -0.244 3.704 3.960 -0.019 0.000 0.217 237 G HA3 -0.244 3.704 3.960 -0.019 0.000 0.217 237 G C 1.483 176.370 174.900 -0.022 0.000 1.158 237 G CA 0.526 45.641 45.100 0.026 0.000 0.771 237 G HN 0.326 nan 8.290 nan 0.000 0.545 238 R N -0.246 120.127 120.500 -0.212 0.000 2.090 238 R HA 0.138 4.466 4.340 -0.019 0.000 0.228 238 R C 2.572 178.755 176.300 -0.195 0.000 1.110 238 R CA 0.826 56.770 56.100 -0.260 0.000 0.973 238 R CB -0.305 29.601 30.300 -0.657 0.000 0.869 238 R HN 0.381 nan 8.270 nan 0.000 0.440 239 I N 0.572 120.922 120.570 -0.367 0.000 2.252 239 I HA -0.247 3.912 4.170 -0.019 0.000 0.245 239 I C 2.224 178.328 176.117 -0.022 0.000 1.102 239 I CA 1.252 62.427 61.300 -0.208 0.000 1.385 239 I CB -0.200 37.594 38.000 -0.344 0.000 1.064 239 I HN 0.113 nan 8.210 nan 0.000 0.414 240 I N 0.430 121.010 120.570 0.016 0.000 2.179 240 I HA -0.294 3.865 4.170 -0.019 0.000 0.242 240 I C 2.840 178.983 176.117 0.045 0.000 1.088 240 I CA 1.316 62.616 61.300 -0.000 0.000 1.357 240 I CB -0.396 37.673 38.000 0.115 0.000 1.051 240 I HN 0.213 nan 8.210 nan 0.000 0.409 241 R N 1.004 121.652 120.500 0.247 0.000 2.061 241 R HA -0.172 4.157 4.340 -0.019 0.000 0.230 241 R C 1.685 178.109 176.300 0.206 0.000 1.140 241 R CA 2.036 58.311 56.100 0.291 0.000 0.940 241 R CB -0.147 30.356 30.300 0.338 0.000 0.839 241 R HN 0.284 nan 8.270 nan 0.000 0.429 242 D N -0.765 119.770 120.400 0.226 0.000 2.277 242 D HA -0.031 4.598 4.640 -0.019 0.000 0.208 242 D C 1.478 177.887 176.300 0.181 0.000 0.962 242 D CA 0.787 54.929 54.000 0.238 0.000 0.865 242 D CB 0.295 41.321 40.800 0.377 0.000 0.939 242 D HN 0.342 nan 8.370 nan 0.000 0.510 243 C N -0.415 118.976 119.300 0.152 0.000 2.605 243 C HA 0.193 4.641 4.460 -0.019 0.000 0.364 243 C C 2.355 177.345 174.990 0.001 0.000 1.656 243 C CA -0.460 58.617 59.018 0.098 0.000 2.400 243 C CB -0.399 27.436 27.740 0.158 0.000 2.132 243 C HN 0.195 nan 8.230 nan 0.000 0.668 244 L N 1.807 122.987 121.223 -0.071 0.000 1.970 244 L HA -0.113 4.215 4.340 -0.019 0.000 0.212 244 L C 2.234 178.948 176.870 -0.261 0.000 1.071 244 L CA 2.204 56.914 54.840 -0.217 0.000 0.751 244 L CB -1.202 40.622 42.059 -0.393 0.000 0.889 244 L HN 0.426 nan 8.230 nan 0.000 0.432 245 L N -0.283 120.781 121.223 -0.265 0.000 2.042 245 L HA -0.184 4.145 4.340 -0.019 0.000 0.210 245 L C -0.075 176.735 176.870 -0.100 0.000 1.076 245 L CA 1.335 56.021 54.840 -0.257 0.000 0.749 245 L CB -1.898 39.928 42.059 -0.388 0.000 0.893 245 L HN 0.251 nan 8.230 nan 0.000 0.432 246 P HA -0.122 nan 4.420 nan 0.000 0.215 246 P C 1.987 179.306 177.300 0.032 0.000 1.157 246 P CA 1.103 64.227 63.100 0.041 0.000 0.863 246 P CB 0.088 31.828 31.700 0.067 0.000 0.787 247 V N 0.168 120.082 119.914 0.001 0.000 2.343 247 V HA -0.254 3.854 4.120 -0.019 0.000 0.247 247 V C 2.444 178.533 176.094 -0.008 0.000 1.051 247 V CA 2.283 64.581 62.300 -0.004 0.000 1.036 247 V CB -1.720 30.050 31.823 -0.089 0.000 0.654 247 V HN 0.092 nan 8.190 nan 0.000 0.451 248 A N -0.694 122.078 122.820 -0.081 0.000 1.933 248 A HA -0.262 4.047 4.320 -0.019 0.000 0.218 248 A C 2.293 179.858 177.584 -0.032 0.000 1.175 248 A CA 1.951 53.934 52.037 -0.089 0.000 0.628 248 A CB -0.459 18.429 19.000 -0.188 0.000 0.814 248 A HN 0.621 nan 8.150 nan 0.000 0.444 249 E N -0.167 120.021 120.200 -0.020 0.000 2.047 249 E HA -0.224 4.115 4.350 -0.019 0.000 0.191 249 E C 2.096 178.717 176.600 0.034 0.000 0.987 249 E CA 1.395 57.797 56.400 0.003 0.000 0.799 249 E CB -0.143 29.578 29.700 0.035 0.000 0.752 249 E HN 0.618 nan 8.360 nan 0.000 0.449 250 K N -0.355 120.095 120.400 0.083 0.000 2.032 250 K HA -0.195 4.113 4.320 -0.019 0.000 0.209 250 K C 1.507 178.121 176.600 0.024 0.000 1.048 250 K CA 1.810 58.143 56.287 0.077 0.000 0.927 250 K CB -0.115 32.471 32.500 0.144 0.000 0.712 250 K HN 0.221 nan 8.250 nan 0.000 0.441 251 H N -0.200 118.851 119.070 -0.031 0.000 2.539 251 H HA 0.146 4.691 4.556 -0.018 0.000 0.269 251 H C -0.099 175.202 175.328 -0.044 0.000 0.980 251 H CA 0.477 56.506 56.048 -0.032 0.000 1.152 251 H CB -0.178 29.567 29.762 -0.028 0.000 1.407 251 H HN 0.374 nan 8.280 nan 0.000 0.564 252 N N 0.773 119.497 118.700 0.041 0.000 2.727 252 N HA -0.165 4.564 4.740 -0.019 0.000 0.249 252 N C -0.998 174.487 175.510 -0.041 0.000 1.048 252 N CA -0.282 52.751 53.050 -0.029 0.000 0.714 252 N CB -0.624 37.834 38.487 -0.048 0.000 0.959 252 N HN 0.123 nan 8.380 nan 0.000 0.544 253 I N 1.039 121.598 120.570 -0.019 0.000 2.354 253 I HA 0.398 4.557 4.170 -0.019 0.000 0.292 253 I C -1.907 174.182 176.117 -0.048 0.000 0.989 253 I CA -2.114 59.177 61.300 -0.015 0.000 1.188 253 I CB 0.970 38.979 38.000 0.014 0.000 1.342 253 I HN -0.016 nan 8.210 nan 0.000 0.457 254 P HA 0.099 nan 4.420 nan 0.000 0.272 254 P C -0.751 176.598 177.300 0.082 0.000 1.230 254 P CA -0.097 62.989 63.100 -0.024 0.000 0.788 254 P CB 0.462 32.207 31.700 0.075 0.000 0.949 255 F N 2.096 121.915 119.950 -0.218 0.000 2.388 255 F HA 0.619 5.135 4.527 -0.019 0.000 0.358 255 F C -0.623 175.123 175.800 -0.091 0.000 1.122 255 F CA -1.827 56.079 58.000 -0.157 0.000 1.056 255 F CB 0.185 39.034 39.000 -0.250 0.000 1.155 255 F HN 0.278 nan 8.300 nan 0.000 0.461 256 A N 8.258 130.964 122.820 -0.190 0.000 2.260 256 A HA 0.697 5.005 4.320 -0.019 0.000 0.308 256 A C -0.647 176.581 177.584 -0.593 0.000 1.254 256 A CA -0.584 51.185 52.037 -0.446 0.000 0.874 256 A CB 0.166 18.729 19.000 -0.729 0.000 1.153 256 A HN 0.788 nan 8.150 nan 0.000 0.527 257 M N 3.763 123.025 119.600 -0.564 0.000 2.181 257 M HA 0.408 4.876 4.480 -0.019 0.000 0.323 257 M C -0.767 175.258 176.300 -0.458 0.000 1.004 257 M CA 0.192 55.134 55.300 -0.596 0.000 0.941 257 M CB 1.665 33.873 32.600 -0.654 0.000 1.579 257 M HN 0.591 nan 8.290 nan 0.000 0.427 258 M N 5.572 124.887 119.600 -0.474 0.000 2.060 258 M HA 0.510 4.978 4.480 -0.019 0.000 0.342 258 M C -0.992 175.177 176.300 -0.218 0.000 1.031 258 M CA -0.262 54.654 55.300 -0.639 0.000 0.981 258 M CB 0.329 32.277 32.600 -1.086 0.000 1.376 258 M HN 0.619 nan 8.290 nan 0.000 0.397 259 I N 1.451 121.984 120.570 -0.062 0.000 2.385 259 I HA 0.622 4.780 4.170 -0.019 0.000 0.294 259 I C 1.051 177.313 176.117 0.242 0.000 0.988 259 I CA -0.085 61.256 61.300 0.069 0.000 1.265 259 I CB 1.669 39.653 38.000 -0.026 0.000 1.388 259 I HN 0.986 nan 8.210 nan 0.000 0.480 260 G N 3.943 112.846 108.800 0.171 0.000 2.260 260 G HA2 -0.187 3.761 3.960 -0.019 0.000 0.179 260 G HA3 -0.187 3.761 3.960 -0.019 0.000 0.179 260 G C -0.151 174.738 174.900 -0.018 0.000 1.002 260 G CA -0.229 44.914 45.100 0.071 0.000 0.677 260 G HN 0.504 nan 8.290 nan 0.000 0.486 261 V N 1.565 121.522 119.914 0.072 0.000 2.488 261 V HA 0.641 4.749 4.120 -0.019 0.000 0.277 261 V C 0.386 176.494 176.094 0.024 0.000 1.046 261 V CA -0.137 62.158 62.300 -0.009 0.000 0.986 261 V CB 1.343 33.274 31.823 0.181 0.000 0.989 261 V HN 0.248 nan 8.190 nan 0.000 0.475 262 K N 6.572 126.958 120.400 -0.023 0.000 2.347 262 K HA 0.361 4.669 4.320 -0.019 0.000 0.262 262 K C -0.307 176.353 176.600 0.100 0.000 1.052 262 K CA -0.738 55.578 56.287 0.047 0.000 0.946 262 K CB 0.407 32.939 32.500 0.053 0.000 1.220 262 K HN 0.578 nan 8.250 nan 0.000 0.450 263 K N 3.125 123.592 120.400 0.113 0.000 2.401 263 K HA 0.015 4.323 4.320 -0.019 0.000 0.278 263 K C -0.046 176.624 176.600 0.116 0.000 1.018 263 K CA 0.151 56.516 56.287 0.130 0.000 0.981 263 K CB 0.436 33.010 32.500 0.123 0.000 0.933 263 K HN 0.613 nan 8.250 nan 0.000 0.477 264 R N -0.028 120.547 120.500 0.125 0.000 3.251 264 R HA -0.170 4.159 4.340 -0.019 0.000 0.249 264 R C 1.100 177.462 176.300 0.104 0.000 0.949 264 R CA 0.539 56.707 56.100 0.114 0.000 0.645 264 R CB -2.300 28.057 30.300 0.095 0.000 1.065 264 R HN 0.591 nan 8.270 nan 0.000 0.452 265 V N -3.377 116.599 119.914 0.103 0.000 3.041 265 V HA -0.023 4.086 4.120 -0.019 0.000 0.260 265 V C 0.880 177.008 176.094 0.058 0.000 1.105 265 V CA 1.402 63.731 62.300 0.048 0.000 1.125 265 V CB -0.120 31.695 31.823 -0.012 0.000 0.730 265 V HN 0.497 nan 8.190 nan 0.000 0.479 266 H N 0.633 119.701 119.070 -0.004 0.000 2.607 266 H HA 0.461 5.005 4.556 -0.020 0.000 0.248 266 H C -2.409 172.950 175.328 0.051 0.000 1.355 266 H CA -2.630 53.419 56.048 0.002 0.000 1.524 266 H CB 1.703 31.453 29.762 -0.020 0.000 1.563 266 H HN 0.121 nan 8.280 nan 0.000 0.509 267 P HA -0.186 nan 4.420 nan 0.000 0.215 267 P C 1.435 178.823 177.300 0.146 0.000 1.163 267 P CA 2.352 65.550 63.100 0.163 0.000 0.894 267 P CB 0.192 31.972 31.700 0.133 0.000 0.791 268 A N -0.678 122.256 122.820 0.189 0.000 1.986 268 A HA -0.191 4.118 4.320 -0.019 0.000 0.220 268 A C 2.065 179.785 177.584 0.226 0.000 1.171 268 A CA 1.491 53.638 52.037 0.182 0.000 0.640 268 A CB -1.704 17.415 19.000 0.198 0.000 0.811 268 A HN 0.175 nan 8.150 nan 0.000 0.451 269 L N -1.130 120.069 121.223 -0.040 0.000 2.610 269 L HA 0.121 4.449 4.340 -0.019 0.000 0.232 269 L C 1.834 178.889 176.870 0.308 0.000 1.149 269 L CA 0.191 55.081 54.840 0.084 0.000 0.872 269 L CB -1.137 40.808 42.059 -0.190 0.000 0.992 269 L HN 0.670 nan 8.230 nan 0.000 0.447 270 G N 1.006 109.926 108.800 0.201 0.000 2.634 270 G HA2 -0.407 3.541 3.960 -0.019 0.000 0.309 270 G HA3 -0.407 3.541 3.960 -0.019 0.000 0.309 270 G C 0.483 175.435 174.900 0.087 0.000 1.265 270 G CA 0.488 45.643 45.100 0.093 0.000 0.998 270 G HN 0.327 nan 8.290 nan 0.000 0.551 271 D N 1.279 121.710 120.400 0.052 0.000 2.384 271 D HA 0.199 4.827 4.640 -0.019 0.000 0.222 271 D C 2.254 178.445 176.300 -0.180 0.000 0.976 271 D CA 1.453 55.399 54.000 -0.091 0.000 0.915 271 D CB -0.429 40.274 40.800 -0.162 0.000 0.896 271 D HN 0.810 nan 8.370 nan 0.000 0.523 272 A N 0.022 122.891 122.820 0.081 0.000 2.308 272 A HA 0.348 4.656 4.320 -0.019 0.000 0.217 272 A C 1.904 179.578 177.584 0.150 0.000 1.216 272 A CA 0.414 52.556 52.037 0.175 0.000 0.864 272 A CB 0.150 19.279 19.000 0.214 0.000 0.902 272 A HN 0.191 nan 8.150 nan 0.000 0.499 273 G N -0.294 108.579 108.800 0.123 0.000 3.523 273 G HA2 0.309 4.258 3.960 -0.019 0.000 0.270 273 G HA3 0.309 4.258 3.960 -0.019 0.000 0.270 273 G C -0.616 174.381 174.900 0.162 0.000 1.134 273 G CA -0.188 44.988 45.100 0.126 0.000 0.825 273 G HN 0.253 nan 8.290 nan 0.000 0.534 274 D N 0.011 120.539 120.400 0.213 0.000 2.175 274 D HA 0.511 5.139 4.640 -0.019 0.000 0.248 274 D C -0.720 175.674 176.300 0.157 0.000 1.047 274 D CA -0.349 53.770 54.000 0.198 0.000 0.883 274 D CB 2.090 43.063 40.800 0.289 0.000 1.180 274 D HN -0.011 nan 8.370 nan 0.000 0.438 275 F N 1.216 121.094 119.950 -0.120 0.000 2.671 275 F HA 0.651 5.166 4.527 -0.020 0.000 0.373 275 F C -0.827 174.806 175.800 -0.278 0.000 1.122 275 F CA -1.232 56.616 58.000 -0.253 0.000 1.082 275 F CB 1.142 40.031 39.000 -0.184 0.000 1.399 275 F HN 0.088 nan 8.300 nan 0.000 0.509 276 V N 0.498 119.691 119.914 -1.202 0.000 3.040 276 V HA 0.946 5.055 4.120 -0.019 0.000 0.312 276 V C -0.846 174.684 176.094 -0.939 0.000 1.115 276 V CA -0.043 61.731 62.300 -0.876 0.000 0.998 276 V CB 1.795 33.197 31.823 -0.703 0.000 1.042 276 V HN 1.102 nan 8.190 nan 0.000 0.433 277 G N 2.706 111.221 108.800 -0.474 0.000 2.720 277 G HA2 0.442 4.390 3.960 -0.019 0.000 0.295 277 G HA3 0.442 4.390 3.960 -0.019 0.000 0.295 277 G C -1.676 173.118 174.900 -0.175 0.000 1.437 277 G CA -0.808 44.102 45.100 -0.317 0.000 0.886 277 G HN 0.861 nan 8.290 nan 0.000 0.509 278 K N 0.432 120.755 120.400 -0.129 0.000 2.350 278 K HA 0.616 4.925 4.320 -0.019 0.000 0.279 278 K C 0.242 176.822 176.600 -0.033 0.000 1.027 278 K CA -0.189 56.055 56.287 -0.072 0.000 0.969 278 K CB 0.921 33.384 32.500 -0.061 0.000 0.954 278 K HN 0.648 nan 8.250 nan 0.000 0.474 279 A N 2.372 125.190 122.820 -0.004 0.000 2.322 279 A HA 0.369 4.677 4.320 -0.019 0.000 0.327 279 A C -0.627 176.973 177.584 0.027 0.000 1.134 279 A CA -0.666 51.388 52.037 0.029 0.000 0.831 279 A CB 1.507 20.550 19.000 0.072 0.000 1.288 279 A HN 0.707 nan 8.150 nan 0.000 0.472 280 S N 0.271 115.990 115.700 0.032 0.000 2.584 280 S HA 0.342 4.801 4.470 -0.019 0.000 0.273 280 S C 0.878 175.499 174.600 0.035 0.000 1.311 280 S CA -0.510 57.702 58.200 0.019 0.000 1.034 280 S CB 0.192 63.392 63.200 -0.000 0.000 0.939 280 S HN 0.506 nan 8.310 nan 0.000 0.513 281 M N 2.640 122.257 119.600 0.029 0.000 2.541 281 M HA 0.086 4.555 4.480 -0.019 0.000 0.252 281 M C 0.900 177.221 176.300 0.034 0.000 1.125 281 M CA 0.439 55.760 55.300 0.035 0.000 1.091 281 M CB -1.459 31.159 32.600 0.031 0.000 1.420 281 M HN 0.600 nan 8.290 nan 0.000 0.486 282 D N 1.080 121.495 120.400 0.024 0.000 2.133 282 D HA -0.154 4.474 4.640 -0.019 0.000 0.192 282 D C 2.068 178.392 176.300 0.040 0.000 1.001 282 D CA 1.885 55.901 54.000 0.027 0.000 0.844 282 D CB -0.581 40.219 40.800 0.001 0.000 0.944 282 D HN 0.441 nan 8.370 nan 0.000 0.447 283 G N 0.290 109.087 108.800 -0.005 0.000 2.418 283 G HA2 -0.188 3.761 3.960 -0.019 0.000 0.217 283 G HA3 -0.188 3.761 3.960 -0.019 0.000 0.217 283 G C 1.830 176.779 174.900 0.082 0.000 1.158 283 G CA 0.896 45.992 45.100 -0.007 0.000 0.771 283 G HN 0.275 nan 8.290 nan 0.000 0.545 284 V N 0.690 120.640 119.914 0.061 0.000 2.358 284 V HA -0.136 3.972 4.120 -0.019 0.000 0.246 284 V C 2.547 178.543 176.094 -0.163 0.000 1.047 284 V CA 2.071 64.337 62.300 -0.057 0.000 1.035 284 V CB -0.329 31.468 31.823 -0.042 0.000 0.658 284 V HN 0.553 nan 8.190 nan 0.000 0.452 285 E N -0.197 119.961 120.200 -0.070 0.000 2.051 285 E HA -0.307 4.032 4.350 -0.019 0.000 0.192 285 E C 2.324 178.826 176.600 -0.164 0.000 0.991 285 E CA 1.518 57.857 56.400 -0.102 0.000 0.799 285 E CB -0.265 29.462 29.700 0.045 0.000 0.748 285 E HN 0.743 nan 8.360 nan 0.000 0.449 286 H N 0.985 120.002 119.070 -0.087 0.000 2.321 286 H HA -0.118 4.426 4.556 -0.019 0.000 0.300 286 H C 2.339 177.654 175.328 -0.022 0.000 1.087 286 H CA 1.651 57.694 56.048 -0.009 0.000 1.319 286 H CB -0.254 29.577 29.762 0.115 0.000 1.379 286 H HN 0.215 nan 8.280 nan 0.000 0.501 287 L N 0.285 121.553 121.223 0.075 0.000 2.012 287 L HA -0.232 4.097 4.340 -0.019 0.000 0.210 287 L C 3.049 179.723 176.870 -0.326 0.000 1.073 287 L CA 1.067 55.852 54.840 -0.093 0.000 0.748 287 L CB -0.480 41.260 42.059 -0.531 0.000 0.891 287 L HN 0.228 nan 8.230 nan 0.000 0.431 288 L N -0.692 120.142 121.223 -0.649 0.000 2.042 288 L HA -0.244 4.084 4.340 -0.019 0.000 0.210 288 L C 2.836 179.323 176.870 -0.637 0.000 1.076 288 L CA 1.410 55.816 54.840 -0.723 0.000 0.749 288 L CB -0.534 40.859 42.059 -1.110 0.000 0.893 288 L HN 0.276 nan 8.230 nan 0.000 0.432 289 R N 0.035 120.110 120.500 -0.708 0.000 2.062 289 R HA -0.119 4.210 4.340 -0.019 0.000 0.229 289 R C 2.009 178.193 176.300 -0.192 0.000 1.128 289 R CA 1.152 57.058 56.100 -0.324 0.000 0.960 289 R CB 0.069 30.268 30.300 -0.168 0.000 0.855 289 R HN 0.231 nan 8.270 nan 0.000 0.432 290 E N -0.282 119.739 120.200 -0.298 0.000 2.427 290 E HA -0.095 4.243 4.350 -0.019 0.000 0.196 290 E C -0.167 176.117 176.600 -0.527 0.000 1.028 290 E CA 0.703 56.858 56.400 -0.409 0.000 0.864 290 E CB 0.270 29.611 29.700 -0.599 0.000 0.813 290 E HN 0.445 nan 8.360 nan 0.000 0.514 291 Y N 0.641 120.958 120.300 0.029 0.000 2.495 291 Y HA 0.200 4.739 4.550 -0.019 0.000 0.362 291 Y C -1.552 174.444 175.900 0.160 0.000 0.956 291 Y CA -1.992 56.189 58.100 0.134 0.000 1.127 291 Y CB 1.084 39.698 38.460 0.255 0.000 1.173 291 Y HN -0.032 nan 8.280 nan 0.000 0.639 292 P HA -0.162 nan 4.420 nan 0.000 0.221 292 P C 0.063 177.451 177.300 0.147 0.000 1.145 292 P CA 1.470 64.664 63.100 0.156 0.000 0.795 292 P CB 0.366 32.126 31.700 0.101 0.000 0.775 293 N N -0.990 117.791 118.700 0.135 0.000 2.322 293 N HA 0.056 4.785 4.740 -0.019 0.000 0.194 293 N C 0.375 175.915 175.510 0.050 0.000 1.126 293 N CA -0.159 52.940 53.050 0.081 0.000 0.845 293 N CB -0.020 38.507 38.487 0.068 0.000 0.976 293 N HN 0.131 nan 8.380 nan 0.000 0.475 294 N N 0.919 119.672 118.700 0.089 0.000 2.417 294 N HA 0.266 4.994 4.740 -0.019 0.000 0.300 294 N C -0.775 174.617 175.510 -0.197 0.000 1.102 294 N CA -0.231 52.754 53.050 -0.109 0.000 0.886 294 N CB 1.604 39.998 38.487 -0.155 0.000 1.203 294 N HN -0.028 nan 8.380 nan 0.000 0.496 295 K N 1.314 121.479 120.400 -0.393 0.000 2.164 295 K HA 0.489 4.798 4.320 -0.019 0.000 0.258 295 K C -1.110 175.294 176.600 -0.327 0.000 0.951 295 K CA -0.397 55.749 56.287 -0.234 0.000 0.844 295 K CB 1.350 33.580 32.500 -0.449 0.000 1.099 295 K HN 0.350 nan 8.250 nan 0.000 0.435 296 F N 2.395 122.549 119.950 0.341 0.000 2.518 296 F HA 0.394 4.909 4.527 -0.020 0.000 0.323 296 F C -0.341 175.527 175.800 0.114 0.000 1.129 296 F CA -0.863 57.248 58.000 0.184 0.000 0.920 296 F CB 1.215 40.252 39.000 0.062 0.000 1.160 296 F HN 0.108 nan 8.300 nan 0.000 0.440 297 L N 4.368 125.670 121.223 0.132 0.000 2.296 297 L HA 0.790 5.119 4.340 -0.019 0.000 0.286 297 L C -0.907 175.995 176.870 0.055 0.000 1.023 297 L CA -0.811 54.026 54.840 -0.006 0.000 0.812 297 L CB 1.653 43.558 42.059 -0.256 0.000 1.223 297 L HN 0.369 nan 8.230 nan 0.000 0.421 298 V N 1.883 121.833 119.914 0.060 0.000 2.841 298 V HA 0.609 4.718 4.120 -0.019 0.000 0.310 298 V C -0.399 175.388 176.094 -0.512 0.000 1.090 298 V CA -0.517 61.683 62.300 -0.168 0.000 0.930 298 V CB 2.323 34.056 31.823 -0.149 0.000 1.014 298 V HN 0.741 nan 8.190 nan 0.000 0.425 299 T N 4.933 119.068 114.554 -0.698 0.000 2.933 299 T HA 0.742 5.081 4.350 -0.019 0.000 0.305 299 T C -1.094 173.432 174.700 -0.290 0.000 1.092 299 T CA -0.390 61.265 62.100 -0.742 0.000 1.008 299 T CB 1.327 69.373 68.868 -1.371 0.000 1.102 299 T HN 0.564 nan 8.240 nan 0.000 0.469 300 M N 4.213 123.790 119.600 -0.038 0.000 2.535 300 M HA 0.452 4.921 4.480 -0.019 0.000 0.314 300 M C 0.138 176.610 176.300 0.286 0.000 1.153 300 M CA -0.847 54.539 55.300 0.143 0.000 0.924 300 M CB 2.291 34.911 32.600 0.033 0.000 1.710 300 M HN 0.505 nan 8.290 nan 0.000 0.451 301 L N 0.865 122.254 121.223 0.278 0.000 2.270 301 L HA 0.194 4.522 4.340 -0.019 0.000 0.210 301 L C 0.964 177.807 176.870 -0.044 0.000 1.104 301 L CA 1.241 56.097 54.840 0.026 0.000 0.804 301 L CB 0.187 42.085 42.059 -0.268 0.000 0.937 301 L HN 0.691 nan 8.230 nan 0.000 0.450 302 S N -0.672 115.003 115.700 -0.042 0.000 2.545 302 S HA 0.102 4.560 4.470 -0.019 0.000 0.275 302 S C 1.445 176.021 174.600 -0.041 0.000 1.299 302 S CA -0.434 57.718 58.200 -0.079 0.000 1.048 302 S CB 0.742 63.889 63.200 -0.089 0.000 0.938 302 S HN 0.377 nan 8.310 nan 0.000 0.496 303 R N 2.479 122.948 120.500 -0.052 0.000 2.120 303 R HA -0.088 4.240 4.340 -0.019 0.000 0.234 303 R C 0.804 177.091 176.300 -0.022 0.000 1.123 303 R CA 1.749 57.833 56.100 -0.028 0.000 0.975 303 R CB -0.168 30.110 30.300 -0.036 0.000 0.866 303 R HN 0.648 nan 8.270 nan 0.000 0.446 304 E N -0.211 119.968 120.200 -0.035 0.000 2.516 304 E HA -0.048 4.291 4.350 -0.019 0.000 0.199 304 E C 0.697 177.294 176.600 -0.006 0.000 1.069 304 E CA 0.719 57.105 56.400 -0.024 0.000 0.876 304 E CB -0.021 29.655 29.700 -0.039 0.000 0.843 304 E HN 0.487 nan 8.360 nan 0.000 0.530 305 N N -0.611 118.086 118.700 -0.006 0.000 2.356 305 N HA -0.034 4.694 4.740 -0.019 0.000 0.178 305 N C 1.249 176.762 175.510 0.004 0.000 1.075 305 N CA -0.128 52.924 53.050 0.003 0.000 0.889 305 N CB 0.353 38.840 38.487 -0.001 0.000 0.999 305 N HN -0.035 nan 8.380 nan 0.000 0.464 306 Q N 0.629 120.433 119.800 0.006 0.000 2.014 306 Q HA -0.244 4.085 4.340 -0.019 0.000 0.207 306 Q C 1.828 177.820 176.000 -0.013 0.000 0.993 306 Q CA 1.523 57.321 55.803 -0.008 0.000 0.850 306 Q CB -0.992 27.745 28.738 -0.001 0.000 0.916 306 Q HN 0.575 nan 8.270 nan 0.000 0.417 307 H N 1.524 120.562 119.070 -0.053 0.000 2.290 307 H HA -0.138 4.407 4.556 -0.019 0.000 0.298 307 H C 1.860 177.157 175.328 -0.051 0.000 1.087 307 H CA 2.017 58.031 56.048 -0.057 0.000 1.291 307 H CB 0.280 30.013 29.762 -0.048 0.000 1.369 307 H HN 0.519 nan 8.280 nan 0.000 0.492 308 E N 0.455 120.662 120.200 0.012 0.000 2.153 308 E HA -0.165 4.174 4.350 -0.019 0.000 0.194 308 E C 2.453 179.003 176.600 -0.084 0.000 0.988 308 E CA 1.009 57.390 56.400 -0.031 0.000 0.811 308 E CB -0.478 29.247 29.700 0.041 0.000 0.746 308 E HN 0.335 nan 8.360 nan 0.000 0.466 309 L N 1.520 122.697 121.223 -0.077 0.000 2.083 309 L HA -0.133 4.196 4.340 -0.019 0.000 0.209 309 L C 2.322 179.121 176.870 -0.119 0.000 1.083 309 L CA 1.249 56.042 54.840 -0.078 0.000 0.752 309 L CB -0.252 41.761 42.059 -0.078 0.000 0.899 309 L HN 0.012 nan 8.230 nan 0.000 0.433 310 V N -1.158 118.641 119.914 -0.190 0.000 2.295 310 V HA -0.279 3.829 4.120 -0.019 0.000 0.246 310 V C 2.497 178.463 176.094 -0.213 0.000 1.049 310 V CA 1.717 63.877 62.300 -0.234 0.000 1.024 310 V CB -0.536 31.097 31.823 -0.316 0.000 0.648 310 V HN 0.347 nan 8.190 nan 0.000 0.447 311 V N -0.387 119.370 119.914 -0.262 0.000 2.407 311 V HA -0.233 3.875 4.120 -0.019 0.000 0.248 311 V C 2.357 178.396 176.094 -0.092 0.000 1.055 311 V CA 1.871 64.058 62.300 -0.187 0.000 1.049 311 V CB -0.597 31.119 31.823 -0.178 0.000 0.662 311 V HN 0.484 nan 8.190 nan 0.000 0.455 312 L N 0.862 122.057 121.223 -0.047 0.000 2.083 312 L HA -0.042 4.287 4.340 -0.019 0.000 0.209 312 L C 2.427 179.348 176.870 0.084 0.000 1.083 312 L CA 2.169 57.042 54.840 0.055 0.000 0.752 312 L CB -0.887 41.217 42.059 0.076 0.000 0.899 312 L HN 0.237 nan 8.230 nan 0.000 0.433 313 A N -0.777 122.052 122.820 0.014 0.000 2.015 313 A HA -0.179 4.129 4.320 -0.019 0.000 0.219 313 A C 2.381 179.965 177.584 -0.000 0.000 1.163 313 A CA 1.381 53.434 52.037 0.027 0.000 0.646 313 A CB -0.491 18.495 19.000 -0.023 0.000 0.806 313 A HN 0.476 nan 8.150 nan 0.000 0.448 314 R N -0.479 119.988 120.500 -0.055 0.000 2.148 314 R HA -0.048 4.280 4.340 -0.019 0.000 0.227 314 R C 1.631 177.852 176.300 -0.130 0.000 1.103 314 R CA 1.132 57.184 56.100 -0.080 0.000 0.983 314 R CB -0.051 30.191 30.300 -0.096 0.000 0.874 314 R HN 0.298 nan 8.270 nan 0.000 0.451 315 K N -0.176 120.104 120.400 -0.199 0.000 2.137 315 K HA 0.046 4.355 4.320 -0.019 0.000 0.202 315 K C 0.089 176.249 176.600 -0.734 0.000 1.052 315 K CA 0.861 56.837 56.287 -0.518 0.000 0.961 315 K CB 0.289 32.357 32.500 -0.720 0.000 0.741 315 K HN 0.018 nan 8.250 nan 0.000 0.452 316 F N 0.661 120.622 119.950 0.017 0.000 2.499 316 F HA 0.139 4.655 4.527 -0.018 0.000 0.333 316 F C 1.182 177.030 175.800 0.081 0.000 1.138 316 F CA -0.849 57.180 58.000 0.048 0.000 0.945 316 F CB 1.779 40.807 39.000 0.047 0.000 1.181 316 F HN -0.144 nan 8.300 nan 0.000 0.435 317 S N 0.208 116.059 115.700 0.250 0.000 2.515 317 S HA -0.153 4.305 4.470 -0.019 0.000 0.231 317 S C 1.198 175.992 174.600 0.324 0.000 0.987 317 S CA 0.849 59.186 58.200 0.227 0.000 0.936 317 S CB -0.459 62.840 63.200 0.164 0.000 0.766 317 S HN 0.703 nan 8.310 nan 0.000 0.528 318 N N 1.253 120.169 118.700 0.360 0.000 2.383 318 N HA 0.112 4.841 4.740 -0.019 0.000 0.192 318 N C -0.082 175.757 175.510 0.548 0.000 1.141 318 N CA -0.177 53.125 53.050 0.420 0.000 0.851 318 N CB -0.303 38.393 38.487 0.349 0.000 0.976 318 N HN 0.481 nan 8.380 nan 0.000 0.465 319 L N 0.720 122.181 121.223 0.397 0.000 2.305 319 L HA 0.602 4.930 4.340 -0.019 0.000 0.284 319 L C -0.962 175.924 176.870 0.027 0.000 1.013 319 L CA -0.761 54.226 54.840 0.246 0.000 0.819 319 L CB 1.606 43.767 42.059 0.170 0.000 1.227 319 L HN 0.026 nan 8.230 nan 0.000 0.417 320 M N 7.420 126.863 119.600 -0.263 0.000 2.134 320 M HA 0.526 4.994 4.480 -0.019 0.000 0.310 320 M C -1.082 175.103 176.300 -0.192 0.000 0.966 320 M CA -0.863 54.139 55.300 -0.498 0.000 0.922 320 M CB 1.120 32.822 32.600 -1.497 0.000 1.537 320 M HN 0.550 nan 8.290 nan 0.000 0.424 321 I N 2.878 123.413 120.570 -0.058 0.000 2.488 321 I HA 0.830 4.989 4.170 -0.019 0.000 0.299 321 I C -1.392 174.793 176.117 0.115 0.000 0.984 321 I CA -0.704 60.587 61.300 -0.014 0.000 1.250 321 I CB 1.150 39.113 38.000 -0.062 0.000 1.389 321 I HN 0.789 nan 8.210 nan 0.000 0.488 322 F N 2.776 122.679 119.950 -0.078 0.000 2.601 322 F HA 0.895 5.410 4.527 -0.019 0.000 0.309 322 F C 0.120 175.953 175.800 0.056 0.000 1.089 322 F CA -0.328 57.655 58.000 -0.029 0.000 0.940 322 F CB 0.791 39.707 39.000 -0.140 0.000 1.273 322 F HN 1.057 nan 8.300 nan 0.000 0.450 323 G N 0.574 109.548 108.800 0.290 0.000 2.960 323 G HA2 -0.184 3.765 3.960 -0.019 0.000 0.267 323 G HA3 -0.184 3.765 3.960 -0.019 0.000 0.267 323 G C -1.052 173.945 174.900 0.162 0.000 1.492 323 G CA -0.449 44.853 45.100 0.337 0.000 0.953 323 G HN 1.339 nan 8.290 nan 0.000 0.555 324 C N 0.155 119.545 119.300 0.151 0.000 2.317 324 C HA 0.423 4.871 4.460 -0.019 0.000 0.306 324 C C 0.222 175.343 174.990 0.218 0.000 1.087 324 C CA -0.724 58.377 59.018 0.138 0.000 1.529 324 C CB -0.691 27.099 27.740 0.084 0.000 1.880 324 C HN 0.636 nan 8.230 nan 0.000 0.417 325 W N 4.327 125.689 121.300 0.103 0.000 2.266 325 W HA 0.388 5.036 4.660 -0.020 0.000 0.317 325 W C 0.789 177.456 176.519 0.247 0.000 1.310 325 W CA 0.128 57.596 57.345 0.204 0.000 1.207 325 W CB 0.138 29.725 29.460 0.212 0.000 1.199 325 W HN 0.847 nan 8.180 nan 0.000 0.544 326 W N 4.126 125.365 121.300 -0.101 0.000 2.476 326 W HA -0.458 4.190 4.660 -0.020 0.000 0.312 326 W C 1.407 177.680 176.519 -0.411 0.000 1.723 326 W CA 2.315 59.376 57.345 -0.474 0.000 1.771 326 W CB -2.142 26.557 29.460 -1.269 0.000 0.916 326 W HN 0.392 nan 8.180 nan 0.000 0.471 327 F N 0.805 120.715 119.950 -0.066 0.000 2.722 327 F HA -0.105 4.410 4.527 -0.020 0.000 0.298 327 F C 2.336 178.098 175.800 -0.063 0.000 1.175 327 F CA 1.594 59.491 58.000 -0.170 0.000 1.462 327 F CB -0.796 37.965 39.000 -0.399 0.000 1.111 327 F HN -0.141 nan 8.300 nan 0.000 0.592 328 M N -1.404 118.266 119.600 0.117 0.000 2.465 328 M HA 0.086 4.554 4.480 -0.019 0.000 0.249 328 M C 0.724 177.097 176.300 0.122 0.000 1.130 328 M CA 0.434 55.800 55.300 0.109 0.000 1.067 328 M CB -0.709 31.961 32.600 0.116 0.000 1.394 328 M HN -0.083 nan 8.290 nan 0.000 0.483 329 N N 3.027 121.818 118.700 0.151 0.000 3.210 329 N HA 0.064 4.792 4.740 -0.019 0.000 0.314 329 N C -1.176 174.438 175.510 0.174 0.000 1.291 329 N CA 0.216 53.356 53.050 0.150 0.000 1.202 329 N CB -0.229 38.361 38.487 0.173 0.000 1.475 329 N HN 0.209 nan 8.380 nan 0.000 0.554 330 N N -0.038 118.744 118.700 0.137 0.000 2.225 330 N HA 0.254 4.983 4.740 -0.019 0.000 0.298 330 N C -2.014 173.553 175.510 0.095 0.000 1.076 330 N CA -1.272 51.853 53.050 0.126 0.000 0.792 330 N CB 2.253 40.804 38.487 0.106 0.000 1.498 330 N HN -0.042 nan 8.380 nan 0.000 0.474 331 P HA -0.227 nan 4.420 nan 0.000 0.217 331 P C 1.209 178.540 177.300 0.052 0.000 1.162 331 P CA 1.656 64.795 63.100 0.065 0.000 0.901 331 P CB 0.503 32.226 31.700 0.039 0.000 0.793 332 E N -0.670 119.555 120.200 0.041 0.000 2.058 332 E HA -0.184 4.155 4.350 -0.019 0.000 0.194 332 E C 1.831 178.451 176.600 0.032 0.000 0.997 332 E CA 1.439 57.856 56.400 0.030 0.000 0.801 332 E CB -0.881 28.831 29.700 0.020 0.000 0.746 332 E HN 0.056 nan 8.360 nan 0.000 0.450 333 I N 0.422 121.017 120.570 0.041 0.000 2.333 333 I HA -0.149 4.010 4.170 -0.019 0.000 0.246 333 I C 2.448 178.594 176.117 0.047 0.000 1.106 333 I CA 0.860 62.184 61.300 0.040 0.000 1.411 333 I CB -1.055 36.973 38.000 0.048 0.000 1.082 333 I HN 0.192 nan 8.210 nan 0.000 0.420 334 I N 1.148 121.755 120.570 0.062 0.000 2.194 334 I HA -0.360 3.799 4.170 -0.019 0.000 0.246 334 I C 2.511 178.667 176.117 0.065 0.000 1.093 334 I CA 1.618 62.960 61.300 0.070 0.000 1.355 334 I CB -0.545 37.505 38.000 0.084 0.000 1.046 334 I HN 0.409 nan 8.210 nan 0.000 0.413 335 N N 1.305 120.040 118.700 0.058 0.000 2.058 335 N HA -0.254 4.474 4.740 -0.019 0.000 0.191 335 N C 1.899 177.430 175.510 0.035 0.000 1.037 335 N CA 1.885 54.966 53.050 0.051 0.000 0.848 335 N CB -0.017 38.497 38.487 0.045 0.000 1.021 335 N HN 0.556 nan 8.380 nan 0.000 0.422 336 E N 0.413 120.628 120.200 0.025 0.000 2.106 336 E HA -0.187 4.152 4.350 -0.019 0.000 0.192 336 E C 2.174 178.776 176.600 0.003 0.000 0.984 336 E CA 0.946 57.354 56.400 0.013 0.000 0.806 336 E CB -0.320 29.386 29.700 0.010 0.000 0.750 336 E HN 0.411 nan 8.360 nan 0.000 0.458 337 M N 0.942 120.546 119.600 0.007 0.000 2.099 337 M HA -0.105 4.363 4.480 -0.019 0.000 0.262 337 M C 2.321 178.592 176.300 -0.049 0.000 1.067 337 M CA 2.159 57.449 55.300 -0.017 0.000 1.124 337 M CB -0.244 32.359 32.600 0.006 0.000 1.353 337 M HN 0.171 nan 8.290 nan 0.000 0.410 338 T N -0.103 114.457 114.554 0.009 0.000 2.788 338 T HA -0.113 4.225 4.350 -0.019 0.000 0.268 338 T C 1.806 176.500 174.700 -0.011 0.000 1.044 338 T CA 1.165 63.290 62.100 0.042 0.000 1.139 338 T CB -0.259 68.685 68.868 0.126 0.000 0.867 338 T HN 0.357 nan 8.240 nan 0.000 0.454 339 R N 0.431 120.927 120.500 -0.007 0.000 2.075 339 R HA 0.115 4.444 4.340 -0.019 0.000 0.232 339 R C 2.618 178.881 176.300 -0.060 0.000 1.126 339 R CA 1.233 57.322 56.100 -0.018 0.000 0.963 339 R CB -0.297 30.002 30.300 -0.001 0.000 0.858 339 R HN 0.384 nan 8.270 nan 0.000 0.435 340 M N -0.211 119.346 119.600 -0.071 0.000 2.117 340 M HA -0.157 4.311 4.480 -0.019 0.000 0.262 340 M C 2.241 178.423 176.300 -0.196 0.000 1.065 340 M CA 1.705 56.955 55.300 -0.083 0.000 1.114 340 M CB -0.236 32.343 32.600 -0.034 0.000 1.361 340 M HN 0.084 nan 8.290 nan 0.000 0.408 341 R N -0.037 120.265 120.500 -0.330 0.000 2.070 341 R HA -0.140 4.189 4.340 -0.019 0.000 0.233 341 R C 2.247 178.186 176.300 -0.601 0.000 1.137 341 R CA 1.774 57.475 56.100 -0.664 0.000 0.945 341 R CB -0.430 29.137 30.300 -1.222 0.000 0.845 341 R HN 0.363 nan 8.270 nan 0.000 0.430 342 M N 0.900 120.293 119.600 -0.346 0.000 2.159 342 M HA -0.171 4.298 4.480 -0.019 0.000 0.263 342 M C 1.605 177.866 176.300 -0.066 0.000 1.063 342 M CA 1.722 56.999 55.300 -0.038 0.000 1.110 342 M CB 0.111 32.763 32.600 0.086 0.000 1.374 342 M HN 0.097 nan 8.290 nan 0.000 0.411 343 E N -0.256 119.891 120.200 -0.088 0.000 2.153 343 E HA -0.195 4.144 4.350 -0.019 0.000 0.194 343 E C 1.733 178.289 176.600 -0.074 0.000 0.988 343 E CA 1.516 57.876 56.400 -0.067 0.000 0.811 343 E CB -0.023 29.646 29.700 -0.050 0.000 0.746 343 E HN 0.597 nan 8.360 nan 0.000 0.466 344 M N -0.659 118.875 119.600 -0.110 0.000 2.461 344 M HA 0.127 4.596 4.480 -0.019 0.000 0.255 344 M C 1.118 177.358 176.300 -0.100 0.000 1.137 344 M CA 0.363 55.599 55.300 -0.107 0.000 1.086 344 M CB 0.844 33.360 32.600 -0.140 0.000 1.356 344 M HN 0.039 nan 8.290 nan 0.000 0.487 345 L N -1.236 119.924 121.223 -0.106 0.000 2.966 345 L HA 0.402 4.731 4.340 -0.019 0.000 0.262 345 L C 1.286 178.193 176.870 0.061 0.000 1.165 345 L CA -0.049 54.769 54.840 -0.037 0.000 0.978 345 L CB 0.221 42.237 42.059 -0.071 0.000 1.337 345 L HN 0.444 nan 8.230 nan 0.000 0.563 346 G N 1.984 110.810 108.800 0.043 0.000 2.602 346 G HA2 -0.433 3.516 3.960 -0.019 0.000 0.310 346 G HA3 -0.433 3.516 3.960 -0.019 0.000 0.310 346 G C 0.739 175.751 174.900 0.185 0.000 1.183 346 G CA 0.872 46.010 45.100 0.065 0.000 0.979 346 G HN 0.329 nan 8.290 nan 0.000 0.545 347 T N -2.277 112.352 114.554 0.125 0.000 3.132 347 T HA 0.519 4.858 4.350 -0.019 0.000 0.274 347 T C 1.310 176.030 174.700 0.034 0.000 1.011 347 T CA 1.157 63.285 62.100 0.047 0.000 0.899 347 T CB 0.248 69.101 68.868 -0.026 0.000 1.089 347 T HN 1.644 nan 8.240 nan 0.000 0.543 348 S N 1.649 117.453 115.700 0.174 0.000 3.122 348 S HA 0.520 4.978 4.470 -0.019 0.000 0.249 348 S C -0.044 174.689 174.600 0.222 0.000 1.334 348 S CA -1.065 57.217 58.200 0.138 0.000 1.251 348 S CB -1.542 61.724 63.200 0.110 0.000 1.034 348 S HN 0.686 nan 8.310 nan 0.000 0.478 349 F N -2.125 117.798 119.950 -0.045 0.000 2.779 349 F HA 0.698 5.213 4.527 -0.019 0.000 0.316 349 F C -1.574 174.194 175.800 -0.054 0.000 1.164 349 F CA -1.784 56.181 58.000 -0.059 0.000 0.924 349 F CB 0.841 39.805 39.000 -0.060 0.000 1.348 349 F HN -0.074 nan 8.300 nan 0.000 0.467 350 I N 2.355 122.900 120.570 -0.042 0.000 2.371 350 I HA 0.300 4.459 4.170 -0.019 0.000 0.282 350 I C -1.981 174.141 176.117 0.009 0.000 1.031 350 I CA -1.918 59.304 61.300 -0.131 0.000 1.180 350 I CB 1.533 39.550 38.000 0.029 0.000 1.336 350 I HN 0.427 nan 8.210 nan 0.000 0.467 351 P HA -0.174 nan 4.420 nan 0.000 0.215 351 P C 0.114 177.492 177.300 0.131 0.000 1.157 351 P CA 1.371 64.495 63.100 0.039 0.000 0.874 351 P CB 0.232 31.794 31.700 -0.229 0.000 0.790 352 Q N -2.441 117.436 119.800 0.128 0.000 2.534 352 Q HA 0.348 4.676 4.340 -0.019 0.000 0.290 352 Q C -1.418 174.752 176.000 0.283 0.000 0.991 352 Q CA -0.819 55.073 55.803 0.148 0.000 0.783 352 Q CB 1.118 29.847 28.738 -0.014 0.000 1.470 352 Q HN 0.236 nan 8.270 nan 0.000 0.406 353 H N -1.067 118.019 119.070 0.027 0.000 3.016 353 H HA 0.491 5.036 4.556 -0.019 0.000 0.362 353 H C -0.545 174.665 175.328 -0.196 0.000 1.233 353 H CA -0.132 55.964 56.048 0.079 0.000 1.124 353 H CB 1.405 31.280 29.762 0.190 0.000 1.850 353 H HN 0.685 nan 8.280 nan 0.000 0.549 354 S N -0.245 115.303 115.700 -0.254 0.000 2.421 354 S HA -0.076 4.383 4.470 -0.019 0.000 0.224 354 S C 0.605 175.055 174.600 -0.250 0.000 1.035 354 S CA 0.861 58.790 58.200 -0.452 0.000 0.953 354 S CB -0.216 62.774 63.200 -0.351 0.000 0.810 354 S HN 0.784 nan 8.310 nan 0.000 0.497 355 D N 1.159 121.546 120.400 -0.022 0.000 3.041 355 D HA -0.145 4.484 4.640 -0.019 0.000 0.220 355 D C 0.189 176.489 176.300 -0.001 0.000 1.157 355 D CA 0.843 54.881 54.000 0.063 0.000 0.876 355 D CB -1.486 39.488 40.800 0.290 0.000 1.107 355 D HN 0.762 nan 8.370 nan 0.000 0.422 356 A N 0.169 122.915 122.820 -0.123 0.000 2.546 356 A HA 0.169 4.478 4.320 -0.019 0.000 0.243 356 A C 1.384 178.929 177.584 -0.064 0.000 1.063 356 A CA 0.676 52.611 52.037 -0.170 0.000 0.757 356 A CB 0.381 19.283 19.000 -0.164 0.000 0.991 356 A HN 0.350 nan 8.150 nan 0.000 0.503 357 R N 1.194 121.625 120.500 -0.115 0.000 2.279 357 R HA 0.204 4.533 4.340 -0.019 0.000 0.195 357 R C -0.641 175.661 176.300 0.002 0.000 0.905 357 R CA 0.332 56.442 56.100 0.016 0.000 1.044 357 R CB 0.620 30.961 30.300 0.069 0.000 1.056 357 R HN 0.516 nan 8.270 nan 0.000 0.535 358 V N 1.821 121.667 119.914 -0.113 0.000 2.487 358 V HA 0.040 4.149 4.120 -0.019 0.000 0.298 358 V C 0.867 176.957 176.094 -0.008 0.000 1.028 358 V CA -0.444 61.836 62.300 -0.033 0.000 0.860 358 V CB 1.831 33.594 31.823 -0.099 0.000 0.991 358 V HN 0.078 nan 8.190 nan 0.000 0.427 359 L N 4.762 126.049 121.223 0.106 0.000 2.011 359 L HA -0.242 4.086 4.340 -0.019 0.000 0.225 359 L C 2.211 179.132 176.870 0.085 0.000 1.084 359 L CA 2.423 57.334 54.840 0.119 0.000 0.791 359 L CB -0.394 41.775 42.059 0.184 0.000 0.898 359 L HN 0.814 nan 8.230 nan 0.000 0.440 360 E N -0.632 119.637 120.200 0.115 0.000 2.267 360 E HA -0.241 4.098 4.350 -0.019 0.000 0.197 360 E C 2.133 178.759 176.600 0.042 0.000 0.998 360 E CA 1.260 57.728 56.400 0.113 0.000 0.830 360 E CB -0.291 29.507 29.700 0.163 0.000 0.751 360 E HN 0.675 nan 8.360 nan 0.000 0.491 361 Q N 0.104 119.871 119.800 -0.055 0.000 2.197 361 Q HA -0.169 4.160 4.340 -0.019 0.000 0.207 361 Q C 2.071 177.871 176.000 -0.334 0.000 0.984 361 Q CA 0.934 56.594 55.803 -0.239 0.000 0.869 361 Q CB -0.296 28.190 28.738 -0.420 0.000 0.906 361 Q HN 0.365 nan 8.270 nan 0.000 0.426 362 L N 0.373 121.521 121.223 -0.124 0.000 2.137 362 L HA -0.260 4.069 4.340 -0.019 0.000 0.213 362 L C 2.223 179.148 176.870 0.092 0.000 1.085 362 L CA 1.067 55.927 54.840 0.033 0.000 0.760 362 L CB -0.516 41.616 42.059 0.121 0.000 0.893 362 L HN 0.310 nan 8.230 nan 0.000 0.434 363 I N -0.891 119.707 120.570 0.046 0.000 2.090 363 I HA -0.347 3.812 4.170 -0.019 0.000 0.236 363 I C 2.644 178.820 176.117 0.098 0.000 1.064 363 I CA 1.895 63.258 61.300 0.105 0.000 1.324 363 I CB -0.584 37.482 38.000 0.111 0.000 1.044 363 I HN 0.273 nan 8.210 nan 0.000 0.399 364 Y N 1.381 121.618 120.300 -0.105 0.000 2.220 364 Y HA -0.083 4.456 4.550 -0.019 0.000 0.291 364 Y C 2.335 177.996 175.900 -0.400 0.000 1.129 364 Y CA 0.876 58.753 58.100 -0.372 0.000 1.161 364 Y CB -0.852 37.284 38.460 -0.540 0.000 0.997 364 Y HN -0.160 nan 8.280 nan 0.000 0.522 365 K N 0.445 120.285 120.400 -0.934 0.000 2.034 365 K HA -0.210 4.099 4.320 -0.019 0.000 0.214 365 K C 1.635 177.927 176.600 -0.512 0.000 1.051 365 K CA 2.630 58.410 56.287 -0.844 0.000 0.931 365 K CB -0.912 31.029 32.500 -0.932 0.000 0.715 365 K HN 0.618 nan 8.250 nan 0.000 0.446 366 W N -0.708 120.527 121.300 -0.107 0.000 2.518 366 W HA -0.057 4.592 4.660 -0.019 0.000 0.273 366 W C 2.431 178.994 176.519 0.074 0.000 1.247 366 W CA 0.804 58.149 57.345 0.000 0.000 1.288 366 W CB -0.205 29.235 29.460 -0.034 0.000 1.107 366 W HN 0.305 nan 8.180 nan 0.000 0.586 367 H N -0.328 118.851 119.070 0.182 0.000 2.299 367 H HA -0.143 4.401 4.556 -0.019 0.000 0.302 367 H C 1.857 177.357 175.328 0.287 0.000 1.078 367 H CA 2.305 58.475 56.048 0.204 0.000 1.323 367 H CB -0.633 29.240 29.762 0.185 0.000 1.381 367 H HN 0.281 nan 8.280 nan 0.000 0.498 368 H N -0.696 118.603 119.070 0.383 0.000 2.352 368 H HA -0.078 4.467 4.556 -0.019 0.000 0.299 368 H C 2.478 177.920 175.328 0.190 0.000 1.097 368 H CA 1.035 57.250 56.048 0.277 0.000 1.311 368 H CB 0.390 30.300 29.762 0.246 0.000 1.377 368 H HN 0.262 nan 8.280 nan 0.000 0.504 369 S N 0.305 116.164 115.700 0.265 0.000 2.377 369 S HA -0.066 4.393 4.470 -0.019 0.000 0.223 369 S C 1.907 176.667 174.600 0.267 0.000 1.030 369 S CA 0.666 58.983 58.200 0.196 0.000 0.970 369 S CB 0.076 63.312 63.200 0.059 0.000 0.830 369 S HN 0.334 nan 8.310 nan 0.000 0.473 370 K N 1.548 122.127 120.400 0.298 0.000 2.063 370 K HA -0.105 4.204 4.320 -0.019 0.000 0.208 370 K C 2.549 179.259 176.600 0.183 0.000 1.048 370 K CA 1.614 58.057 56.287 0.261 0.000 0.928 370 K CB -0.288 32.271 32.500 0.099 0.000 0.713 370 K HN 0.476 nan 8.250 nan 0.000 0.442 371 S N 1.093 116.885 115.700 0.153 0.000 2.368 371 S HA -0.139 4.319 4.470 -0.019 0.000 0.225 371 S C 2.029 176.711 174.600 0.138 0.000 1.030 371 S CA 1.012 59.289 58.200 0.128 0.000 0.999 371 S CB -0.551 62.738 63.200 0.148 0.000 0.844 371 S HN 0.202 nan 8.310 nan 0.000 0.459 372 I N 1.490 122.152 120.570 0.154 0.000 2.202 372 I HA -0.095 4.064 4.170 -0.019 0.000 0.242 372 I C 2.442 178.646 176.117 0.145 0.000 1.091 372 I CA 1.250 62.630 61.300 0.133 0.000 1.368 372 I CB -0.438 37.638 38.000 0.127 0.000 1.058 372 I HN 0.265 nan 8.210 nan 0.000 0.410 373 I N 0.976 121.660 120.570 0.191 0.000 2.264 373 I HA -0.304 3.855 4.170 -0.019 0.000 0.248 373 I C 2.830 179.063 176.117 0.193 0.000 1.111 373 I CA 1.329 62.754 61.300 0.208 0.000 1.382 373 I CB -0.524 37.671 38.000 0.325 0.000 1.060 373 I HN 0.203 nan 8.210 nan 0.000 0.418 374 A N 0.443 123.380 122.820 0.195 0.000 1.877 374 A HA -0.211 4.098 4.320 -0.019 0.000 0.216 374 A C 2.256 179.921 177.584 0.135 0.000 1.186 374 A CA 1.535 53.671 52.037 0.166 0.000 0.620 374 A CB -0.474 18.604 19.000 0.131 0.000 0.822 374 A HN 0.303 nan 8.150 nan 0.000 0.443 375 E N -0.088 120.181 120.200 0.115 0.000 2.085 375 E HA -0.137 4.202 4.350 -0.019 0.000 0.194 375 E C 2.227 178.877 176.600 0.084 0.000 0.994 375 E CA 1.369 57.825 56.400 0.094 0.000 0.801 375 E CB -0.644 29.105 29.700 0.082 0.000 0.743 375 E HN 0.387 nan 8.360 nan 0.000 0.453 376 V N 1.321 121.285 119.914 0.083 0.000 2.295 376 V HA -0.245 3.864 4.120 -0.019 0.000 0.246 376 V C 2.614 178.725 176.094 0.029 0.000 1.049 376 V CA 1.402 63.736 62.300 0.057 0.000 1.024 376 V CB -0.570 31.294 31.823 0.068 0.000 0.648 376 V HN 0.200 nan 8.190 nan 0.000 0.447 377 L N -0.622 120.624 121.223 0.038 0.000 2.013 377 L HA -0.241 4.088 4.340 -0.019 0.000 0.212 377 L C 2.395 179.299 176.870 0.056 0.000 1.073 377 L CA 1.848 56.665 54.840 -0.038 0.000 0.753 377 L CB -0.527 41.586 42.059 0.090 0.000 0.890 377 L HN 0.277 nan 8.230 nan 0.000 0.432 378 I N -0.356 120.307 120.570 0.156 0.000 2.163 378 I HA -0.344 3.815 4.170 -0.019 0.000 0.243 378 I C 2.153 178.353 176.117 0.139 0.000 1.085 378 I CA 1.383 62.796 61.300 0.188 0.000 1.347 378 I CB -0.439 37.643 38.000 0.136 0.000 1.044 378 I HN 0.308 nan 8.210 nan 0.000 0.408 379 D N 0.759 121.207 120.400 0.081 0.000 2.117 379 D HA -0.156 4.473 4.640 -0.019 0.000 0.197 379 D C 2.185 178.509 176.300 0.040 0.000 0.987 379 D CA 1.263 55.297 54.000 0.057 0.000 0.829 379 D CB -0.071 40.752 40.800 0.038 0.000 0.961 379 D HN 0.134 nan 8.370 nan 0.000 0.460 380 K N -0.260 120.133 120.400 -0.013 0.000 2.103 380 K HA -0.059 4.250 4.320 -0.019 0.000 0.204 380 K C 2.004 178.591 176.600 -0.021 0.000 1.052 380 K CA 0.592 56.840 56.287 -0.065 0.000 0.945 380 K CB -0.539 31.864 32.500 -0.162 0.000 0.722 380 K HN 0.193 nan 8.250 nan 0.000 0.443 381 Y N 0.977 121.307 120.300 0.049 0.000 2.163 381 Y HA -0.174 4.365 4.550 -0.019 0.000 0.288 381 Y C 2.097 178.040 175.900 0.071 0.000 1.136 381 Y CA 1.347 59.486 58.100 0.064 0.000 1.147 381 Y CB -0.753 37.754 38.460 0.079 0.000 0.987 381 Y HN 0.171 nan 8.280 nan 0.000 0.509 382 D N -0.273 120.266 120.400 0.232 0.000 2.182 382 D HA -0.171 4.457 4.640 -0.019 0.000 0.201 382 D C 1.551 177.921 176.300 0.117 0.000 0.986 382 D CA 1.494 55.585 54.000 0.152 0.000 0.847 382 D CB -0.107 40.762 40.800 0.115 0.000 0.942 382 D HN 0.172 nan 8.370 nan 0.000 0.467 383 D N -0.441 120.015 120.400 0.093 0.000 2.144 383 D HA -0.091 4.538 4.640 -0.019 0.000 0.200 383 D C 2.161 178.504 176.300 0.072 0.000 0.978 383 D CA 0.931 54.969 54.000 0.063 0.000 0.833 383 D CB -0.228 40.591 40.800 0.031 0.000 0.961 383 D HN 0.559 nan 8.370 nan 0.000 0.470 384 I N -2.010 118.612 120.570 0.086 0.000 2.716 384 I HA -0.053 4.106 4.170 -0.019 0.000 0.259 384 I C 2.027 178.263 176.117 0.199 0.000 1.172 384 I CA 0.328 61.682 61.300 0.091 0.000 1.478 384 I CB -0.170 37.819 38.000 -0.017 0.000 1.104 384 I HN -0.137 nan 8.210 nan 0.000 0.439 385 L N 1.203 122.548 121.223 0.203 0.000 2.017 385 L HA -0.147 4.182 4.340 -0.019 0.000 0.208 385 L C 2.641 179.596 176.870 0.141 0.000 1.073 385 L CA 1.849 56.806 54.840 0.195 0.000 0.745 385 L CB -0.859 41.294 42.059 0.157 0.000 0.894 385 L HN 0.272 nan 8.230 nan 0.000 0.432 386 Q N -0.864 119.003 119.800 0.111 0.000 2.364 386 Q HA -0.000 4.329 4.340 -0.019 0.000 0.209 386 Q C 1.715 177.766 176.000 0.085 0.000 0.977 386 Q CA 1.114 56.967 55.803 0.083 0.000 0.885 386 Q CB -0.359 28.419 28.738 0.067 0.000 0.941 386 Q HN 0.562 nan 8.270 nan 0.000 0.464 387 A N -0.485 122.400 122.820 0.108 0.000 2.379 387 A HA 0.432 4.741 4.320 -0.019 0.000 0.236 387 A C 1.268 178.936 177.584 0.141 0.000 1.272 387 A CA 0.574 52.676 52.037 0.108 0.000 0.886 387 A CB -0.113 18.947 19.000 0.099 0.000 0.962 387 A HN 0.333 nan 8.150 nan 0.000 0.504 388 G N -1.841 107.042 108.800 0.139 0.000 2.143 388 G HA2 -0.263 3.686 3.960 -0.019 0.000 0.248 388 G HA3 -0.263 3.686 3.960 -0.019 0.000 0.248 388 G C 0.003 175.006 174.900 0.172 0.000 0.991 388 G CA 0.241 45.416 45.100 0.124 0.000 0.689 388 G HN 0.777 nan 8.290 nan 0.000 0.522 389 W N 0.883 122.203 121.300 0.034 0.000 2.448 389 W HA 0.683 5.332 4.660 -0.019 0.000 0.339 389 W C -0.487 176.051 176.519 0.032 0.000 1.124 389 W CA -0.571 56.795 57.345 0.036 0.000 1.262 389 W CB 1.055 30.545 29.460 0.050 0.000 1.251 389 W HN 0.172 nan 8.180 nan 0.000 0.597 390 E N 3.333 123.228 120.200 -0.507 0.000 2.155 390 E HA 0.227 4.566 4.350 -0.019 0.000 0.264 390 E C -0.982 175.492 176.600 -0.209 0.000 0.886 390 E CA -0.603 55.639 56.400 -0.263 0.000 0.752 390 E CB 2.558 32.100 29.700 -0.263 0.000 1.133 390 E HN 0.192 nan 8.360 nan 0.000 0.414 391 V N 4.017 123.965 119.914 0.057 0.000 2.407 391 V HA 0.360 4.469 4.120 -0.019 0.000 0.278 391 V C -0.015 176.060 176.094 -0.032 0.000 1.037 391 V CA -0.186 62.168 62.300 0.090 0.000 0.900 391 V CB 1.430 33.293 31.823 0.066 0.000 0.983 391 V HN 0.811 nan 8.190 nan 0.000 0.459 392 T N 1.742 116.280 114.554 -0.026 0.000 2.899 392 T HA 0.329 4.667 4.350 -0.019 0.000 0.284 392 T C 0.923 175.587 174.700 -0.059 0.000 1.004 392 T CA 0.121 62.195 62.100 -0.043 0.000 1.043 392 T CB 1.362 70.214 68.868 -0.026 0.000 1.013 392 T HN 0.816 nan 8.240 nan 0.000 0.518 393 E N 0.161 120.328 120.200 -0.054 0.000 2.153 393 E HA -0.180 4.158 4.350 -0.019 0.000 0.194 393 E C 1.659 178.241 176.600 -0.030 0.000 0.988 393 E CA 0.959 57.326 56.400 -0.054 0.000 0.811 393 E CB 0.091 29.769 29.700 -0.036 0.000 0.746 393 E HN 0.647 nan 8.360 nan 0.000 0.466 394 E N 0.551 120.743 120.200 -0.014 0.000 2.150 394 E HA -0.161 4.177 4.350 -0.019 0.000 0.193 394 E C 1.802 178.417 176.600 0.026 0.000 0.985 394 E CA 0.854 57.258 56.400 0.006 0.000 0.814 394 E CB -0.049 29.656 29.700 0.008 0.000 0.752 394 E HN 0.442 nan 8.360 nan 0.000 0.466 395 E N 0.417 120.634 120.200 0.028 0.000 2.107 395 E HA -0.067 4.272 4.350 -0.019 0.000 0.191 395 E C 2.246 178.894 176.600 0.079 0.000 0.982 395 E CA 0.499 56.941 56.400 0.070 0.000 0.809 395 E CB -0.075 29.687 29.700 0.103 0.000 0.756 395 E HN 0.225 nan 8.360 nan 0.000 0.459 396 I N 1.394 121.961 120.570 -0.005 0.000 2.226 396 I HA -0.296 3.862 4.170 -0.019 0.000 0.245 396 I C 2.216 178.394 176.117 0.101 0.000 1.100 396 I CA 1.287 62.589 61.300 0.003 0.000 1.374 396 I CB -0.220 37.681 38.000 -0.166 0.000 1.057 396 I HN 0.025 nan 8.210 nan 0.000 0.413 397 K N 0.248 120.682 120.400 0.057 0.000 2.147 397 K HA -0.189 4.120 4.320 -0.019 0.000 0.205 397 K C 2.252 178.903 176.600 0.085 0.000 1.049 397 K CA 0.956 57.281 56.287 0.064 0.000 0.936 397 K CB -0.190 32.331 32.500 0.034 0.000 0.722 397 K HN 0.284 nan 8.250 nan 0.000 0.446 398 R N 1.399 121.951 120.500 0.087 0.000 2.062 398 R HA -0.147 4.182 4.340 -0.019 0.000 0.231 398 R C 1.357 177.723 176.300 0.111 0.000 1.136 398 R CA 1.910 58.065 56.100 0.090 0.000 0.948 398 R CB -0.124 30.228 30.300 0.086 0.000 0.845 398 R HN 0.097 nan 8.270 nan 0.000 0.430 399 D N 0.331 120.818 120.400 0.144 0.000 2.104 399 D HA -0.149 4.479 4.640 -0.019 0.000 0.194 399 D C 1.999 178.380 176.300 0.134 0.000 0.994 399 D CA 1.355 55.444 54.000 0.147 0.000 0.830 399 D CB -0.297 40.648 40.800 0.241 0.000 0.959 399 D HN 0.128 nan 8.370 nan 0.000 0.452 400 V N 1.449 121.479 119.914 0.192 0.000 2.490 400 V HA -0.215 3.893 4.120 -0.019 0.000 0.250 400 V C 2.520 178.774 176.094 0.267 0.000 1.061 400 V CA 1.625 64.085 62.300 0.267 0.000 1.064 400 V CB -0.728 31.249 31.823 0.256 0.000 0.670 400 V HN 0.188 nan 8.190 nan 0.000 0.461 401 A N -0.243 122.676 122.820 0.165 0.000 1.933 401 A HA -0.223 4.086 4.320 -0.019 0.000 0.218 401 A C 2.024 179.683 177.584 0.124 0.000 1.175 401 A CA 1.873 53.993 52.037 0.139 0.000 0.628 401 A CB -0.490 18.569 19.000 0.097 0.000 0.814 401 A HN 0.538 nan 8.150 nan 0.000 0.444 402 D N 0.304 120.753 120.400 0.082 0.000 2.078 402 D HA -0.123 4.505 4.640 -0.019 0.000 0.193 402 D C 2.052 178.324 176.300 -0.046 0.000 0.990 402 D CA 1.312 55.331 54.000 0.033 0.000 0.827 402 D CB -0.479 40.327 40.800 0.010 0.000 0.975 402 D HN 0.438 nan 8.370 nan 0.000 0.451 403 L N -0.388 120.750 121.223 -0.141 0.000 2.013 403 L HA -0.186 4.143 4.340 -0.019 0.000 0.212 403 L C 2.196 178.806 176.870 -0.433 0.000 1.073 403 L CA 1.182 55.777 54.840 -0.408 0.000 0.753 403 L CB -0.449 41.270 42.059 -0.566 0.000 0.890 403 L HN -0.021 nan 8.230 nan 0.000 0.432 404 F N -2.193 117.732 119.950 -0.041 0.000 2.765 404 F HA 0.065 4.581 4.527 -0.019 0.000 0.302 404 F C 1.964 177.729 175.800 -0.057 0.000 1.111 404 F CA 0.515 58.482 58.000 -0.054 0.000 1.359 404 F CB 0.498 39.444 39.000 -0.090 0.000 1.097 404 F HN 0.001 nan 8.300 nan 0.000 0.577 405 S N -1.153 114.630 115.700 0.137 0.000 3.897 405 S HA 0.091 4.549 4.470 -0.019 0.000 0.214 405 S C 1.762 176.523 174.600 0.269 0.000 1.102 405 S CA -0.181 58.134 58.200 0.192 0.000 1.116 405 S CB -0.322 63.013 63.200 0.225 0.000 1.288 405 S HN 0.065 nan 8.310 nan 0.000 0.458 406 R N 1.619 122.248 120.500 0.215 0.000 2.081 406 R HA 0.046 4.375 4.340 -0.019 0.000 0.235 406 R C 1.746 178.148 176.300 0.169 0.000 1.131 406 R CA 1.832 58.060 56.100 0.213 0.000 0.960 406 R CB -0.430 29.954 30.300 0.140 0.000 0.856 406 R HN 0.408 nan 8.270 nan 0.000 0.436 407 N N 0.558 119.317 118.700 0.099 0.000 2.104 407 N HA -0.202 4.527 4.740 -0.019 0.000 0.190 407 N C 1.472 177.040 175.510 0.097 0.000 1.024 407 N CA 1.209 54.304 53.050 0.074 0.000 0.853 407 N CB -0.414 38.070 38.487 -0.005 0.000 1.008 407 N HN 0.117 nan 8.380 nan 0.000 0.424 408 F N 0.331 120.219 119.950 -0.103 0.000 2.031 408 F HA -0.143 4.372 4.527 -0.019 0.000 0.295 408 F C 1.988 177.693 175.800 -0.159 0.000 1.133 408 F CA 1.455 59.319 58.000 -0.227 0.000 1.188 408 F CB -0.872 37.832 39.000 -0.494 0.000 0.974 408 F HN 0.037 nan 8.300 nan 0.000 0.473 409 W N 0.696 121.951 121.300 -0.075 0.000 2.342 409 W HA -0.182 4.466 4.660 -0.019 0.000 0.297 409 W C 2.816 179.246 176.519 -0.149 0.000 1.213 409 W CA 1.486 58.715 57.345 -0.193 0.000 1.251 409 W CB -0.520 28.926 29.460 -0.024 0.000 1.136 409 W HN -0.001 nan 8.180 nan 0.000 0.526 410 R N -0.234 120.359 120.500 0.155 0.000 2.081 410 R HA -0.200 4.129 4.340 -0.019 0.000 0.235 410 R C 2.158 178.495 176.300 0.061 0.000 1.131 410 R CA 1.777 57.941 56.100 0.107 0.000 0.960 410 R CB -0.852 29.520 30.300 0.120 0.000 0.856 410 R HN 0.195 nan 8.270 nan 0.000 0.436 411 F N 1.140 121.022 119.950 -0.113 0.000 2.113 411 F HA -0.148 4.368 4.527 -0.019 0.000 0.297 411 F C 1.948 177.637 175.800 -0.185 0.000 1.103 411 F CA 1.608 59.530 58.000 -0.131 0.000 1.248 411 F CB -0.173 38.746 39.000 -0.134 0.000 0.999 411 F HN -0.049 nan 8.300 nan 0.000 0.475 412 V N -0.629 119.145 119.914 -0.233 0.000 3.444 412 V HA 0.213 4.322 4.120 -0.019 0.000 0.271 412 V C 1.335 177.329 176.094 -0.167 0.000 1.188 412 V CA 0.190 62.323 62.300 -0.279 0.000 1.168 412 V CB -1.991 29.556 31.823 -0.461 0.000 0.810 412 V HN 0.544 nan 8.190 nan 0.000 0.500 413 G N 0.000 108.723 108.800 -0.128 0.000 5.446 413 G HA2 0.000 3.949 3.960 -0.019 0.000 0.244 413 G HA3 0.000 3.949 3.960 -0.019 0.000 0.244 413 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925