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 1qti_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.653 174.600 0.088 0.000 1.055 4 S CA 0.000 58.235 58.200 0.058 0.000 1.107 4 S CB 0.000 63.235 63.200 0.058 0.000 0.593 5 E N 2.397 122.654 120.200 0.095 0.000 2.267 5 E HA -0.035 4.315 4.350 -0.001 0.000 0.197 5 E C 0.990 177.726 176.600 0.227 0.000 0.998 5 E CA 1.331 57.815 56.400 0.139 0.000 0.830 5 E CB -0.100 29.671 29.700 0.117 0.000 0.751 5 E HN 0.718 nan 8.360 nan 0.000 0.491 6 L N 0.764 122.098 121.223 0.185 0.000 2.607 6 L HA 0.212 4.552 4.340 -0.001 0.000 0.228 6 L C 0.052 177.134 176.870 0.354 0.000 1.123 6 L CA -0.382 54.592 54.840 0.224 0.000 0.890 6 L CB 0.440 42.532 42.059 0.054 0.000 1.103 6 L HN 0.156 nan 8.230 nan 0.000 0.468 7 L N 0.510 121.893 121.223 0.266 0.000 2.322 7 L HA 0.613 4.952 4.340 -0.001 0.000 0.281 7 L C -0.757 176.188 176.870 0.125 0.000 1.014 7 L CA -0.331 54.640 54.840 0.220 0.000 0.815 7 L CB 1.812 43.947 42.059 0.127 0.000 1.247 7 L HN -0.321 nan 8.230 nan 0.000 0.421 8 V N 4.230 124.180 119.914 0.060 0.000 2.709 8 V HA 0.532 4.651 4.120 -0.001 0.000 0.308 8 V C -0.773 175.213 176.094 -0.181 0.000 1.062 8 V CA -0.786 61.384 62.300 -0.216 0.000 0.901 8 V CB 2.066 33.438 31.823 -0.751 0.000 1.003 8 V HN 0.775 nan 8.190 nan 0.000 0.425 9 N N 2.495 121.026 118.700 -0.282 0.000 2.424 9 N HA 0.639 5.379 4.740 -0.001 0.000 0.271 9 N C -0.309 174.859 175.510 -0.570 0.000 0.985 9 N CA -0.099 52.759 53.050 -0.321 0.000 0.921 9 N CB 1.821 40.118 38.487 -0.316 0.000 1.149 9 N HN 0.955 nan 8.380 nan 0.000 0.492 10 T N -0.579 113.726 114.554 -0.414 0.000 2.910 10 T HA 0.413 4.763 4.350 -0.001 0.000 0.287 10 T C 0.963 175.408 174.700 -0.425 0.000 1.050 10 T CA -0.667 61.177 62.100 -0.427 0.000 1.011 10 T CB 1.204 70.051 68.868 -0.036 0.000 1.195 10 T HN 0.378 nan 8.240 nan 0.000 0.540 11 K N 0.366 120.583 120.400 -0.306 0.000 2.442 11 K HA 0.034 4.354 4.320 -0.001 0.000 0.198 11 K C 1.798 178.244 176.600 -0.257 0.000 1.042 11 K CA 0.780 56.922 56.287 -0.242 0.000 0.958 11 K CB -0.107 32.315 32.500 -0.130 0.000 0.766 11 K HN 0.396 nan 8.250 nan 0.000 0.474 12 S N -0.180 115.337 115.700 -0.306 0.000 2.492 12 S HA 0.188 4.658 4.470 -0.001 0.000 0.218 12 S C 0.611 174.474 174.600 -1.227 0.000 1.016 12 S CA 0.241 58.149 58.200 -0.486 0.000 0.916 12 S CB 0.948 64.082 63.200 -0.111 0.000 0.791 12 S HN 0.560 nan 8.310 nan 0.000 0.513 13 G N 0.868 109.061 108.800 -1.011 0.000 2.356 13 G HA2 0.195 4.155 3.960 -0.001 0.000 0.300 13 G HA3 0.195 4.155 3.960 -0.001 0.000 0.300 13 G C -1.849 172.856 174.900 -0.326 0.000 1.331 13 G CA -1.093 43.339 45.100 -1.114 0.000 0.905 13 G HN 0.038 nan 8.290 nan 0.000 0.587 14 K N -0.513 119.909 120.400 0.037 0.000 2.249 14 K HA 0.563 4.883 4.320 -0.001 0.000 0.280 14 K C -0.601 176.339 176.600 0.566 0.000 1.033 14 K CA -0.405 56.021 56.287 0.232 0.000 0.946 14 K CB 1.861 34.467 32.500 0.176 0.000 1.005 14 K HN 0.288 nan 8.250 nan 0.000 0.469 15 V N 4.498 124.682 119.914 0.451 0.000 2.487 15 V HA 0.287 4.407 4.120 -0.001 0.000 0.298 15 V C -0.901 175.490 176.094 0.496 0.000 1.028 15 V CA -0.841 61.803 62.300 0.573 0.000 0.860 15 V CB 1.706 33.916 31.823 0.645 0.000 0.991 15 V HN 0.716 nan 8.190 nan 0.000 0.427 16 M N 5.938 125.813 119.600 0.459 0.000 2.066 16 M HA 0.708 5.188 4.480 -0.001 0.000 0.340 16 M C 0.296 176.769 176.300 0.289 0.000 1.053 16 M CA 0.138 55.644 55.300 0.344 0.000 0.983 16 M CB 0.886 33.608 32.600 0.203 0.000 1.520 16 M HN 0.652 nan 8.290 nan 0.000 0.428 17 G N 1.748 110.679 108.800 0.218 0.000 2.531 17 G HA2 0.578 4.537 3.960 -0.001 0.000 0.253 17 G HA3 0.578 4.537 3.960 -0.001 0.000 0.253 17 G C -0.991 173.728 174.900 -0.302 0.000 1.439 17 G CA -0.326 44.537 45.100 -0.394 0.000 1.056 17 G HN 0.655 nan 8.290 nan 0.000 0.555 18 T N -1.524 112.772 114.554 -0.430 0.000 2.956 18 T HA 0.472 4.822 4.350 -0.001 0.000 0.312 18 T C -0.698 173.868 174.700 -0.223 0.000 1.151 18 T CA -0.675 61.279 62.100 -0.243 0.000 1.024 18 T CB 1.436 70.189 68.868 -0.191 0.000 1.140 18 T HN 0.585 nan 8.240 nan 0.000 0.473 19 R N 3.434 123.857 120.500 -0.130 0.000 2.296 19 R HA 0.592 4.931 4.340 -0.001 0.000 0.323 19 R C -1.064 175.224 176.300 -0.021 0.000 1.067 19 R CA -0.195 55.862 56.100 -0.071 0.000 0.946 19 R CB 0.164 30.414 30.300 -0.083 0.000 0.991 19 R HN 0.425 nan 8.270 nan 0.000 0.448 20 V N 8.201 128.133 119.914 0.030 0.000 2.459 20 V HA 0.432 4.552 4.120 -0.001 0.000 0.295 20 V C -1.999 174.159 176.094 0.106 0.000 1.029 20 V CA -2.119 60.214 62.300 0.056 0.000 0.874 20 V CB 1.850 33.693 31.823 0.033 0.000 0.985 20 V HN 0.868 nan 8.190 nan 0.000 0.438 21 P HA 0.352 nan 4.420 nan 0.000 0.275 21 P C -1.281 175.865 177.300 -0.258 0.000 1.228 21 P CA -0.115 62.886 63.100 -0.165 0.000 0.786 21 P CB 1.395 33.019 31.700 -0.126 0.000 0.927 22 V N 3.077 122.737 119.914 -0.423 0.000 2.752 22 V HA 0.161 4.280 4.120 -0.001 0.000 0.302 22 V C 0.538 176.316 176.094 -0.527 0.000 1.133 22 V CA -1.064 60.972 62.300 -0.440 0.000 0.919 22 V CB 1.418 32.900 31.823 -0.568 0.000 1.026 22 V HN 0.467 nan 8.190 nan 0.000 0.429 23 L N 3.891 124.969 121.223 -0.241 0.000 4.054 23 L HA -0.274 4.065 4.340 -0.001 0.000 0.475 23 L C 1.121 177.876 176.870 -0.192 0.000 1.166 23 L CA 0.945 55.691 54.840 -0.157 0.000 0.688 23 L CB -1.697 40.336 42.059 -0.045 0.000 1.512 23 L HN 1.583 nan 8.230 nan 0.000 0.799 24 S N -2.697 112.885 115.700 -0.198 0.000 3.490 24 S HA -0.212 4.258 4.470 -0.001 0.000 0.301 24 S C 0.126 174.597 174.600 -0.215 0.000 1.233 24 S CA 1.290 59.392 58.200 -0.163 0.000 0.914 24 S CB -1.240 61.922 63.200 -0.063 0.000 1.047 24 S HN 1.156 nan 8.310 nan 0.000 0.602 25 S N -0.283 115.170 115.700 -0.412 0.000 2.973 25 S HA 0.821 5.291 4.470 -0.001 0.000 0.317 25 S C -1.425 172.754 174.600 -0.702 0.000 1.196 25 S CA -0.269 57.703 58.200 -0.380 0.000 0.894 25 S CB 1.232 64.311 63.200 -0.202 0.000 1.292 25 S HN 0.696 nan 8.310 nan 0.000 0.614 26 H N -0.007 119.015 119.070 -0.078 0.000 3.037 26 H HA 0.682 5.238 4.556 -0.001 0.000 0.355 26 H C -0.751 174.598 175.328 0.035 0.000 1.263 26 H CA -0.190 55.831 56.048 -0.046 0.000 1.129 26 H CB 1.462 31.215 29.762 -0.014 0.000 1.861 26 H HN 0.837 nan 8.280 nan 0.000 0.546 27 I N -2.013 118.666 120.570 0.181 0.000 3.334 27 I HA 0.586 4.756 4.170 -0.001 0.000 0.316 27 I C -0.973 175.219 176.117 0.125 0.000 1.251 27 I CA -0.946 60.466 61.300 0.186 0.000 0.929 27 I CB 2.335 40.475 38.000 0.234 0.000 1.317 27 I HN 0.389 nan 8.210 nan 0.000 0.479 28 S N 1.134 116.911 115.700 0.128 0.000 2.565 28 S HA 0.908 5.378 4.470 -0.001 0.000 0.290 28 S C -0.379 174.138 174.600 -0.138 0.000 1.150 28 S CA -0.550 57.626 58.200 -0.039 0.000 1.058 28 S CB 1.610 64.837 63.200 0.046 0.000 1.032 28 S HN 0.975 nan 8.310 nan 0.000 0.510 29 A N 1.803 124.321 122.820 -0.503 0.000 2.398 29 A HA 0.776 5.096 4.320 -0.001 0.000 0.301 29 A C -1.467 175.621 177.584 -0.826 0.000 1.041 29 A CA -0.714 50.958 52.037 -0.609 0.000 0.711 29 A CB 0.584 19.227 19.000 -0.596 0.000 1.240 29 A HN 0.642 nan 8.150 nan 0.000 0.420 30 F N 2.586 122.370 119.950 -0.276 0.000 2.430 30 F HA 0.545 5.072 4.527 -0.001 0.000 0.362 30 F C -0.327 175.333 175.800 -0.233 0.000 1.103 30 F CA -0.503 57.425 58.000 -0.120 0.000 1.045 30 F CB 1.303 40.331 39.000 0.045 0.000 1.276 30 F HN 0.369 nan 8.300 nan 0.000 0.444 31 L N 1.755 122.911 121.223 -0.111 0.000 2.329 31 L HA 0.866 5.206 4.340 -0.001 0.000 0.279 31 L C 0.808 177.714 176.870 0.060 0.000 1.014 31 L CA -1.034 53.745 54.840 -0.102 0.000 0.814 31 L CB 1.677 43.572 42.059 -0.273 0.000 1.257 31 L HN 0.788 nan 8.230 nan 0.000 0.424 32 G N 2.564 111.438 108.800 0.124 0.000 2.171 32 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.238 32 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.238 32 G C -0.132 174.942 174.900 0.291 0.000 1.039 32 G CA -0.472 44.725 45.100 0.161 0.000 0.759 32 G HN 0.502 nan 8.290 nan 0.000 0.501 33 I N 2.520 123.147 120.570 0.094 0.000 2.452 33 I HA 0.221 4.391 4.170 -0.001 0.000 0.287 33 I C -1.380 174.525 176.117 -0.353 0.000 1.079 33 I CA -2.028 59.135 61.300 -0.228 0.000 1.387 33 I CB 0.973 38.807 38.000 -0.277 0.000 1.404 33 I HN -0.026 nan 8.210 nan 0.000 0.522 34 P HA 0.013 nan 4.420 nan 0.000 0.276 34 P C -0.279 176.641 177.300 -0.634 0.000 1.230 34 P CA 0.064 62.636 63.100 -0.880 0.000 0.776 34 P CB 0.559 31.665 31.700 -0.989 0.000 0.888 35 F N 0.831 120.430 119.950 -0.585 0.000 2.746 35 F HA 0.753 5.279 4.527 -0.001 0.000 0.320 35 F C -0.230 175.464 175.800 -0.176 0.000 1.097 35 F CA -1.121 56.612 58.000 -0.444 0.000 1.195 35 F CB 0.022 38.740 39.000 -0.470 0.000 1.056 35 F HN 0.396 nan 8.300 nan 0.000 0.562 36 A N -0.121 122.431 122.820 -0.447 0.000 2.610 36 A HA 0.606 4.926 4.320 -0.001 0.000 0.291 36 A C -1.067 176.354 177.584 -0.272 0.000 1.086 36 A CA -0.753 51.137 52.037 -0.246 0.000 0.677 36 A CB 1.016 19.837 19.000 -0.299 0.000 1.278 36 A HN 0.040 nan 8.150 nan 0.000 0.414 37 E N 1.068 121.193 120.200 -0.125 0.000 2.373 37 E HA 0.325 4.675 4.350 -0.001 0.000 0.267 37 E C -2.365 174.155 176.600 -0.134 0.000 1.032 37 E CA -1.524 54.820 56.400 -0.093 0.000 0.889 37 E CB 0.296 29.982 29.700 -0.024 0.000 0.984 37 E HN 0.249 nan 8.360 nan 0.000 0.425 38 P HA -0.013 nan 4.420 nan 0.000 0.260 38 P C -2.098 175.155 177.300 -0.078 0.000 1.185 38 P CA -0.697 62.343 63.100 -0.101 0.000 0.763 38 P CB -0.020 31.659 31.700 -0.035 0.000 0.776 39 P HA -0.047 nan 4.420 nan 0.000 0.271 39 P C 0.278 177.532 177.300 -0.076 0.000 1.535 39 P CA 0.239 63.295 63.100 -0.072 0.000 0.820 39 P CB -0.304 31.352 31.700 -0.073 0.000 1.606 40 V N -3.622 116.254 119.914 -0.063 0.000 3.336 40 V HA 0.744 4.864 4.120 -0.001 0.000 0.304 40 V C 1.128 177.196 176.094 -0.043 0.000 1.073 40 V CA 0.240 62.504 62.300 -0.059 0.000 1.074 40 V CB -0.092 31.706 31.823 -0.042 0.000 1.161 40 V HN 0.476 nan 8.190 nan 0.000 0.460 41 G N 1.534 110.313 108.800 -0.035 0.000 2.574 41 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.286 41 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.286 41 G C 0.475 175.367 174.900 -0.013 0.000 1.212 41 G CA 0.643 45.734 45.100 -0.014 0.000 0.979 41 G HN 1.072 nan 8.290 nan 0.000 0.557 42 N N 0.451 119.156 118.700 0.008 0.000 2.609 42 N HA 0.034 4.774 4.740 -0.001 0.000 0.190 42 N C 2.171 177.690 175.510 0.016 0.000 1.157 42 N CA 1.065 54.129 53.050 0.024 0.000 0.918 42 N CB -0.133 38.369 38.487 0.025 0.000 0.978 42 N HN 0.521 nan 8.380 nan 0.000 0.448 43 M N 0.061 119.656 119.600 -0.008 0.000 2.506 43 M HA -0.001 4.479 4.480 -0.001 0.000 0.260 43 M C 0.858 177.135 176.300 -0.038 0.000 1.104 43 M CA 0.073 55.367 55.300 -0.010 0.000 1.112 43 M CB 0.180 32.770 32.600 -0.017 0.000 1.401 43 M HN 0.010 nan 8.290 nan 0.000 0.473 44 R N 0.688 121.120 120.500 -0.113 0.000 2.583 44 R HA -0.125 4.214 4.340 -0.001 0.000 0.274 44 R C -0.354 175.790 176.300 -0.259 0.000 0.998 44 R CA 0.716 56.633 56.100 -0.304 0.000 1.081 44 R CB 0.192 30.180 30.300 -0.521 0.000 0.940 44 R HN 0.229 nan 8.270 nan 0.000 0.413 45 F N -0.599 119.365 119.950 0.023 0.000 2.498 45 F HA -0.297 4.229 4.527 -0.001 0.000 0.563 45 F C 0.805 176.598 175.800 -0.012 0.000 0.514 45 F CA 1.266 59.255 58.000 -0.018 0.000 1.189 45 F CB -1.499 37.481 39.000 -0.033 0.000 1.924 45 F HN 0.640 nan 8.300 nan 0.000 0.261 46 R N 1.061 121.648 120.500 0.145 0.000 2.707 46 R HA 0.465 4.805 4.340 -0.001 0.000 0.270 46 R C 0.617 176.955 176.300 0.064 0.000 1.083 46 R CA -0.476 55.679 56.100 0.092 0.000 1.182 46 R CB 0.469 30.806 30.300 0.062 0.000 1.084 46 R HN 0.104 nan 8.270 nan 0.000 0.528 47 R N 1.811 122.346 120.500 0.059 0.000 2.641 47 R HA 0.128 4.468 4.340 -0.001 0.000 0.269 47 R C -1.973 174.358 176.300 0.052 0.000 1.074 47 R CA -1.297 54.838 56.100 0.059 0.000 1.133 47 R CB 0.104 30.443 30.300 0.064 0.000 1.029 47 R HN 0.448 nan 8.270 nan 0.000 0.488 48 P HA 0.012 nan 4.420 nan 0.000 0.271 48 P C -0.814 176.524 177.300 0.063 0.000 1.216 48 P CA 0.208 63.345 63.100 0.061 0.000 0.771 48 P CB 0.810 32.577 31.700 0.112 0.000 0.864 49 E N 3.643 123.868 120.200 0.041 0.000 2.248 49 E HA 0.365 4.715 4.350 -0.001 0.000 0.272 49 E C -2.213 174.425 176.600 0.062 0.000 1.008 49 E CA -2.180 54.248 56.400 0.047 0.000 0.856 49 E CB 0.394 30.112 29.700 0.031 0.000 1.120 49 E HN 0.324 nan 8.360 nan 0.000 0.397 50 P HA 0.040 nan 4.420 nan 0.000 0.271 50 P C -0.441 176.918 177.300 0.097 0.000 1.216 50 P CA -0.304 62.864 63.100 0.113 0.000 0.776 50 P CB 0.389 32.155 31.700 0.110 0.000 0.881 51 K N 3.873 124.344 120.400 0.118 0.000 2.402 51 K HA 0.040 4.359 4.320 -0.001 0.000 0.285 51 K C -0.243 176.452 176.600 0.159 0.000 1.054 51 K CA 0.325 56.672 56.287 0.100 0.000 1.001 51 K CB -0.388 32.157 32.500 0.074 0.000 0.946 51 K HN 0.230 nan 8.250 nan 0.000 0.473 52 K N 6.184 126.667 120.400 0.138 0.000 2.489 52 K HA 0.043 4.362 4.320 -0.001 0.000 0.278 52 K C -2.119 174.604 176.600 0.205 0.000 1.000 52 K CA -1.313 55.059 56.287 0.141 0.000 1.012 52 K CB -0.010 32.565 32.500 0.125 0.000 0.903 52 K HN 0.522 nan 8.250 nan 0.000 0.485 53 P HA -0.052 nan 4.420 nan 0.000 0.268 53 P C -1.239 176.138 177.300 0.128 0.000 1.208 53 P CA -0.069 63.010 63.100 -0.034 0.000 0.777 53 P CB 0.274 31.897 31.700 -0.128 0.000 0.875 54 W N 0.939 122.309 121.300 0.117 0.000 2.736 54 W HA 0.675 5.335 4.660 -0.001 0.000 0.335 54 W C -0.422 176.176 176.519 0.133 0.000 1.059 54 W CA -1.036 56.403 57.345 0.157 0.000 1.226 54 W CB 0.280 29.909 29.460 0.283 0.000 1.416 54 W HN 0.390 nan 8.180 nan 0.000 0.505 55 S N 2.899 118.778 115.700 0.297 0.000 2.652 55 S HA 0.819 5.289 4.470 -0.001 0.000 0.270 55 S C 0.541 175.321 174.600 0.301 0.000 1.243 55 S CA 0.340 58.652 58.200 0.187 0.000 0.999 55 S CB 0.709 63.986 63.200 0.127 0.000 0.973 55 S HN 2.261 nan 8.310 nan 0.000 0.544 56 G N -0.113 108.815 108.800 0.213 0.000 2.782 56 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.228 56 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.228 56 G C -0.712 174.390 174.900 0.336 0.000 1.372 56 G CA -0.436 44.797 45.100 0.222 0.000 0.862 56 G HN 1.641 nan 8.290 nan 0.000 0.547 57 V N 1.061 121.133 119.914 0.263 0.000 2.407 57 V HA 0.466 4.586 4.120 -0.001 0.000 0.278 57 V C 0.550 176.829 176.094 0.308 0.000 1.037 57 V CA -0.499 61.991 62.300 0.316 0.000 0.900 57 V CB 1.638 33.580 31.823 0.197 0.000 0.983 57 V HN 0.699 nan 8.190 nan 0.000 0.459 58 W N 5.426 126.869 121.300 0.240 0.000 2.311 58 W HA 0.232 4.891 4.660 -0.001 0.000 0.310 58 W C 0.259 176.792 176.519 0.023 0.000 1.274 58 W CA -0.577 56.742 57.345 -0.044 0.000 1.215 58 W CB 0.861 30.097 29.460 -0.373 0.000 1.227 58 W HN 0.605 nan 8.180 nan 0.000 0.523 59 N N 4.673 123.212 118.700 -0.269 0.000 2.400 59 N HA 0.146 4.886 4.740 -0.001 0.000 0.267 59 N C -0.507 175.036 175.510 0.056 0.000 1.208 59 N CA 0.316 53.302 53.050 -0.108 0.000 0.951 59 N CB 0.757 39.106 38.487 -0.229 0.000 1.227 59 N HN 0.399 nan 8.380 nan 0.000 0.488 60 A N 2.747 125.703 122.820 0.225 0.000 3.154 60 A HA 0.216 4.536 4.320 -0.001 0.000 0.310 60 A C 0.854 178.460 177.584 0.037 0.000 1.093 60 A CA -0.503 51.677 52.037 0.238 0.000 1.006 60 A CB -0.341 18.900 19.000 0.401 0.000 1.084 60 A HN 0.586 nan 8.150 nan 0.000 0.549 61 S N -1.086 114.591 115.700 -0.038 0.000 2.559 61 S HA 0.225 4.695 4.470 -0.001 0.000 0.226 61 S C 0.579 175.090 174.600 -0.149 0.000 1.000 61 S CA 0.487 58.614 58.200 -0.121 0.000 0.948 61 S CB -0.201 62.939 63.200 -0.101 0.000 0.870 61 S HN 0.909 nan 8.310 nan 0.000 0.497 62 T N -0.825 113.659 114.554 -0.118 0.000 2.912 62 T HA 0.619 4.968 4.350 -0.001 0.000 0.299 62 T C -0.864 173.801 174.700 -0.058 0.000 1.052 62 T CA -0.688 61.341 62.100 -0.119 0.000 0.996 62 T CB 0.750 69.572 68.868 -0.076 0.000 1.070 62 T HN 0.049 nan 8.240 nan 0.000 0.465 63 Y N 3.269 123.543 120.300 -0.043 0.000 2.788 63 Y HA 0.284 4.833 4.550 -0.001 0.000 0.341 63 Y C -1.519 174.324 175.900 -0.095 0.000 1.258 63 Y CA -0.987 57.092 58.100 -0.035 0.000 1.503 63 Y CB 0.084 38.545 38.460 0.002 0.000 1.325 63 Y HN 0.567 nan 8.280 nan 0.000 0.614 64 P HA 0.187 nan 4.420 nan 0.000 0.284 64 P C -0.889 176.322 177.300 -0.148 0.000 1.292 64 P CA -0.668 62.305 63.100 -0.212 0.000 0.800 64 P CB 1.007 32.420 31.700 -0.478 0.000 1.188 65 N N -0.527 118.043 118.700 -0.216 0.000 2.297 65 N HA 0.063 4.802 4.740 -0.001 0.000 0.232 65 N C 0.029 175.499 175.510 -0.066 0.000 1.311 65 N CA 0.143 53.123 53.050 -0.115 0.000 0.897 65 N CB -0.067 38.359 38.487 -0.101 0.000 1.137 65 N HN 0.433 nan 8.380 nan 0.000 0.449 66 N N -0.759 117.903 118.700 -0.065 0.000 2.443 66 N HA 0.358 5.097 4.740 -0.001 0.000 0.293 66 N C -0.923 174.552 175.510 -0.059 0.000 1.159 66 N CA -0.781 52.232 53.050 -0.063 0.000 0.904 66 N CB 1.142 39.571 38.487 -0.097 0.000 1.214 66 N HN 0.382 nan 8.380 nan 0.000 0.513 67 c N 1.119 119.688 118.600 -0.052 0.000 2.657 67 c HA 0.064 4.633 4.570 -0.001 0.000 0.404 67 c C 0.507 174.526 174.090 -0.117 0.000 1.291 67 c CA -0.517 55.764 56.329 -0.080 0.000 2.218 67 c CB -0.004 42.486 42.510 -0.034 0.000 2.687 67 c HN 0.521 nan 8.230 nan 0.000 0.634 68 Q N 2.962 122.614 119.800 -0.247 0.000 2.244 68 Q HA 0.135 4.474 4.340 -0.001 0.000 0.276 68 Q C 0.042 176.030 176.000 -0.020 0.000 1.122 68 Q CA 0.928 56.568 55.803 -0.271 0.000 0.920 68 Q CB 0.231 28.507 28.738 -0.770 0.000 1.186 68 Q HN 0.825 nan 8.270 nan 0.000 0.393 69 Q N 1.876 121.743 119.800 0.111 0.000 2.501 69 Q HA 0.344 4.683 4.340 -0.001 0.000 0.288 69 Q C -1.143 175.059 176.000 0.336 0.000 1.051 69 Q CA -1.090 54.881 55.803 0.279 0.000 0.788 69 Q CB 1.096 29.954 28.738 0.200 0.000 1.469 69 Q HN 0.487 nan 8.270 nan 0.000 0.416 70 Y N 1.339 121.875 120.300 0.393 0.000 2.544 70 Y HA 0.315 4.865 4.550 -0.001 0.000 0.330 70 Y C -0.963 175.143 175.900 0.343 0.000 1.136 70 Y CA -0.076 58.266 58.100 0.404 0.000 1.417 70 Y CB 0.778 39.582 38.460 0.573 0.000 1.229 70 Y HN 0.422 nan 8.280 nan 0.000 0.532 71 V N 6.697 126.403 119.914 -0.347 0.000 2.439 71 V HA 0.085 4.205 4.120 -0.001 0.000 0.282 71 V C -0.200 175.684 176.094 -0.350 0.000 1.039 71 V CA -0.850 61.326 62.300 -0.206 0.000 0.913 71 V CB 1.308 33.058 31.823 -0.122 0.000 0.983 71 V HN 0.744 nan 8.190 nan 0.000 0.460 72 D N 3.633 124.064 120.400 0.051 0.000 2.348 72 D HA 0.157 4.797 4.640 -0.001 0.000 0.253 72 D C 0.409 176.793 176.300 0.140 0.000 1.161 72 D CA 0.234 54.366 54.000 0.220 0.000 0.876 72 D CB 0.915 41.949 40.800 0.390 0.000 1.160 72 D HN 0.691 nan 8.370 nan 0.000 0.459 73 E N 2.458 122.716 120.200 0.097 0.000 2.876 73 E HA -0.032 4.318 4.350 -0.001 0.000 0.208 73 E C 0.585 177.172 176.600 -0.021 0.000 0.981 73 E CA -0.111 56.317 56.400 0.048 0.000 1.174 73 E CB 0.716 30.413 29.700 -0.006 0.000 1.047 73 E HN 0.327 nan 8.360 nan 0.000 0.477 74 Q N -0.157 119.601 119.800 -0.070 0.000 2.224 74 Q HA -0.050 4.290 4.340 -0.001 0.000 0.203 74 Q C -0.262 175.208 176.000 -0.884 0.000 0.970 74 Q CA 1.337 56.816 55.803 -0.539 0.000 0.865 74 Q CB 0.216 28.477 28.738 -0.795 0.000 0.922 74 Q HN 0.158 nan 8.270 nan 0.000 0.445 75 F N -0.475 119.559 119.950 0.140 0.000 2.664 75 F HA 0.384 4.910 4.527 -0.001 0.000 0.353 75 F C -2.298 173.594 175.800 0.153 0.000 1.498 75 F CA -2.753 55.317 58.000 0.117 0.000 1.109 75 F CB 0.902 39.993 39.000 0.151 0.000 1.728 75 F HN -0.170 nan 8.300 nan 0.000 0.580 76 P HA 0.056 nan 4.420 nan 0.000 0.261 76 P C 1.104 178.500 177.300 0.161 0.000 1.158 76 P CA 1.836 65.025 63.100 0.148 0.000 0.758 76 P CB 0.561 32.309 31.700 0.080 0.000 0.763 77 G N 2.320 111.199 108.800 0.131 0.000 2.212 77 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.266 77 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.266 77 G C 0.045 175.024 174.900 0.131 0.000 0.978 77 G CA -0.281 44.877 45.100 0.097 0.000 0.632 77 G HN 0.551 nan 8.290 nan 0.000 0.537 78 F N 3.239 123.195 119.950 0.010 0.000 2.471 78 F HA 0.511 5.037 4.527 -0.001 0.000 0.365 78 F C 1.693 177.432 175.800 -0.103 0.000 1.095 78 F CA -0.464 57.483 58.000 -0.087 0.000 1.174 78 F CB 0.903 39.834 39.000 -0.115 0.000 1.105 78 F HN 0.247 nan 8.300 nan 0.000 0.535 79 S N 3.572 118.918 115.700 -0.590 0.000 2.370 79 S HA -0.168 4.301 4.470 -0.001 0.000 0.226 79 S C 2.255 176.398 174.600 -0.762 0.000 1.033 79 S CA 1.142 59.005 58.200 -0.561 0.000 1.011 79 S CB -1.372 61.554 63.200 -0.458 0.000 0.852 79 S HN 0.814 nan 8.310 nan 0.000 0.457 80 G N 1.150 108.946 108.800 -1.673 0.000 2.499 80 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.221 80 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.221 80 G C 1.623 176.526 174.900 0.005 0.000 1.109 80 G CA 1.396 45.709 45.100 -1.311 0.000 0.749 80 G HN 0.866 nan 8.290 nan 0.000 0.568 81 S N -0.876 114.870 115.700 0.076 0.000 2.665 81 S HA 0.117 4.587 4.470 -0.001 0.000 0.240 81 S C 1.719 176.602 174.600 0.472 0.000 1.081 81 S CA 0.449 59.115 58.200 0.778 0.000 0.887 81 S CB -0.000 63.851 63.200 1.085 0.000 0.805 81 S HN 0.290 nan 8.310 nan 0.000 0.486 82 E N 2.464 122.777 120.200 0.187 0.000 2.338 82 E HA -0.089 4.261 4.350 -0.001 0.000 0.197 82 E C 1.973 178.555 176.600 -0.031 0.000 1.007 82 E CA 1.195 57.651 56.400 0.094 0.000 0.849 82 E CB -0.514 29.201 29.700 0.025 0.000 0.774 82 E HN 0.875 nan 8.360 nan 0.000 0.506 83 M N -1.982 117.518 119.600 -0.166 0.000 2.629 83 M HA -0.068 4.411 4.480 -0.001 0.000 0.257 83 M C 0.868 176.809 176.300 -0.598 0.000 1.071 83 M CA 1.375 56.409 55.300 -0.442 0.000 1.077 83 M CB -0.305 31.922 32.600 -0.621 0.000 1.423 83 M HN 0.012 nan 8.290 nan 0.000 0.508 84 W N 0.263 121.521 121.300 -0.070 0.000 2.998 84 W HA 0.347 5.007 4.660 -0.001 0.000 0.336 84 W C 0.202 176.659 176.519 -0.103 0.000 1.112 84 W CA -0.886 56.389 57.345 -0.117 0.000 1.682 84 W CB 0.018 29.440 29.460 -0.063 0.000 1.065 84 W HN 0.070 nan 8.180 nan 0.000 0.570 85 N N 1.737 120.501 118.700 0.106 0.000 2.503 85 N HA 0.153 4.893 4.740 -0.001 0.000 0.267 85 N C -2.492 172.998 175.510 -0.033 0.000 1.214 85 N CA -1.585 51.498 53.050 0.056 0.000 0.959 85 N CB 0.237 38.761 38.487 0.061 0.000 1.142 85 N HN -0.353 nan 8.380 nan 0.000 0.455 86 P HA 0.047 nan 4.420 nan 0.000 0.263 86 P C -0.025 177.227 177.300 -0.080 0.000 1.195 86 P CA 0.022 63.074 63.100 -0.081 0.000 0.762 86 P CB 0.179 31.841 31.700 -0.063 0.000 0.799 87 N N 2.137 120.771 118.700 -0.109 0.000 2.251 87 N HA 0.138 4.878 4.740 -0.001 0.000 0.217 87 N C 0.094 175.562 175.510 -0.070 0.000 1.124 87 N CA -0.168 52.828 53.050 -0.089 0.000 0.843 87 N CB 0.239 38.661 38.487 -0.107 0.000 1.024 87 N HN 0.202 nan 8.380 nan 0.000 0.501 88 R N 0.067 120.523 120.500 -0.074 0.000 2.740 88 R HA 0.210 4.549 4.340 -0.001 0.000 0.273 88 R C -1.151 175.115 176.300 -0.058 0.000 0.998 88 R CA -0.773 55.292 56.100 -0.058 0.000 0.900 88 R CB 1.849 32.110 30.300 -0.064 0.000 1.223 88 R HN 0.287 nan 8.270 nan 0.000 0.466 89 E N 3.322 123.491 120.200 -0.051 0.000 2.608 89 E HA -0.107 4.242 4.350 -0.001 0.000 0.259 89 E C -0.615 175.948 176.600 -0.061 0.000 0.951 89 E CA 0.499 56.868 56.400 -0.051 0.000 0.945 89 E CB 0.614 30.283 29.700 -0.051 0.000 0.916 89 E HN 0.354 nan 8.360 nan 0.000 0.477 90 M N 3.100 122.665 119.600 -0.059 0.000 2.255 90 M HA 0.224 4.704 4.480 -0.001 0.000 0.336 90 M C -0.103 176.147 176.300 -0.083 0.000 1.135 90 M CA 0.069 55.326 55.300 -0.072 0.000 1.145 90 M CB 1.536 34.097 32.600 -0.065 0.000 1.473 90 M HN 0.565 nan 8.290 nan 0.000 0.462 91 S N 0.134 115.770 115.700 -0.106 0.000 2.565 91 S HA 0.197 4.667 4.470 -0.001 0.000 0.274 91 S C -0.096 174.410 174.600 -0.157 0.000 1.144 91 S CA -0.689 57.444 58.200 -0.113 0.000 0.849 91 S CB 1.444 64.603 63.200 -0.068 0.000 1.103 91 S HN 0.831 nan 8.310 nan 0.000 0.455 92 E N 0.716 120.807 120.200 -0.182 0.000 2.347 92 E HA -0.052 4.297 4.350 -0.001 0.000 0.196 92 E C -0.380 176.152 176.600 -0.114 0.000 1.008 92 E CA 0.465 56.733 56.400 -0.220 0.000 0.852 92 E CB 0.153 29.725 29.700 -0.212 0.000 0.783 92 E HN 0.480 nan 8.360 nan 0.000 0.505 93 D N 0.177 120.549 120.400 -0.047 0.000 2.524 93 D HA 0.017 4.657 4.640 -0.001 0.000 0.222 93 D C 0.091 176.489 176.300 0.164 0.000 1.142 93 D CA -0.357 53.669 54.000 0.042 0.000 0.973 93 D CB -0.023 40.821 40.800 0.074 0.000 1.025 93 D HN 0.109 nan 8.370 nan 0.000 0.519 94 c N 1.976 120.651 118.600 0.125 0.000 3.785 94 c HA 0.403 4.973 4.570 -0.001 0.000 0.312 94 c C 0.824 175.046 174.090 0.220 0.000 1.566 94 c CA -0.639 55.822 56.329 0.221 0.000 1.837 94 c CB -1.311 41.238 42.510 0.065 0.000 2.826 94 c HN 0.409 nan 8.230 nan 0.000 0.667 95 L N 2.623 123.727 121.223 -0.198 0.000 2.415 95 L HA 0.348 4.688 4.340 -0.001 0.000 0.269 95 L C -0.747 175.406 176.870 -1.194 0.000 1.244 95 L CA 0.623 55.059 54.840 -0.674 0.000 1.113 95 L CB -0.768 40.744 42.059 -0.912 0.000 1.352 95 L HN 0.381 nan 8.230 nan 0.000 0.433 96 Y N 2.134 122.284 120.300 -0.249 0.000 2.665 96 Y HA 0.724 5.274 4.550 -0.001 0.000 0.336 96 Y C -0.082 175.952 175.900 0.222 0.000 1.085 96 Y CA -1.249 56.800 58.100 -0.085 0.000 1.096 96 Y CB 1.823 40.258 38.460 -0.041 0.000 1.301 96 Y HN 0.195 nan 8.280 nan 0.000 0.493 97 L N -0.328 121.068 121.223 0.287 0.000 2.376 97 L HA 0.779 5.119 4.340 -0.001 0.000 0.258 97 L C -1.497 175.446 176.870 0.122 0.000 1.013 97 L CA -0.985 53.984 54.840 0.215 0.000 0.822 97 L CB 2.289 44.396 42.059 0.080 0.000 1.388 97 L HN 0.511 nan 8.230 nan 0.000 0.413 98 N N 1.723 120.503 118.700 0.133 0.000 2.238 98 N HA 0.730 5.470 4.740 -0.001 0.000 0.302 98 N C -1.411 174.040 175.510 -0.098 0.000 1.072 98 N CA -0.344 52.674 53.050 -0.054 0.000 0.792 98 N CB 2.882 41.301 38.487 -0.113 0.000 1.425 98 N HN 0.620 nan 8.380 nan 0.000 0.478 99 I N 0.111 120.532 120.570 -0.249 0.000 2.498 99 I HA 0.402 4.571 4.170 -0.001 0.000 0.290 99 I C -0.747 175.298 176.117 -0.119 0.000 1.032 99 I CA -0.719 60.538 61.300 -0.071 0.000 1.073 99 I CB 2.276 40.158 38.000 -0.197 0.000 1.251 99 I HN 0.287 nan 8.210 nan 0.000 0.426 100 W N 5.858 127.286 121.300 0.214 0.000 2.318 100 W HA 0.553 5.212 4.660 -0.001 0.000 0.315 100 W C -1.064 175.593 176.519 0.230 0.000 1.033 100 W CA -0.607 56.856 57.345 0.197 0.000 1.275 100 W CB 2.041 31.589 29.460 0.147 0.000 1.250 100 W HN 0.114 nan 8.180 nan 0.000 0.421 101 V N 5.763 125.935 119.914 0.430 0.000 2.448 101 V HA 0.292 4.412 4.120 -0.001 0.000 0.295 101 V C -1.886 174.407 176.094 0.331 0.000 1.025 101 V CA -2.300 60.237 62.300 0.395 0.000 0.859 101 V CB 1.877 34.003 31.823 0.504 0.000 0.988 101 V HN 0.246 nan 8.190 nan 0.000 0.431 102 P HA 0.102 nan 4.420 nan 0.000 0.270 102 P C -0.567 176.863 177.300 0.216 0.000 1.227 102 P CA 0.102 63.342 63.100 0.233 0.000 0.788 102 P CB 0.507 32.311 31.700 0.174 0.000 0.926 103 S N 0.693 116.513 115.700 0.200 0.000 2.561 103 S HA 0.600 5.070 4.470 -0.001 0.000 0.303 103 S C -2.605 172.081 174.600 0.144 0.000 1.110 103 S CA -1.527 56.775 58.200 0.170 0.000 1.034 103 S CB -0.140 63.162 63.200 0.169 0.000 1.010 103 S HN 0.164 nan 8.310 nan 0.000 0.482 104 P HA 0.244 nan 4.420 nan 0.000 0.272 104 P C -0.510 176.862 177.300 0.121 0.000 1.223 104 P CA -0.553 62.612 63.100 0.108 0.000 0.784 104 P CB 0.348 32.097 31.700 0.081 0.000 0.923 105 R N 3.004 123.583 120.500 0.131 0.000 2.504 105 R HA 0.053 4.393 4.340 -0.001 0.000 0.291 105 R C -1.790 174.576 176.300 0.110 0.000 0.974 105 R CA -0.893 55.294 56.100 0.145 0.000 1.077 105 R CB -0.261 30.125 30.300 0.143 0.000 0.926 105 R HN 0.405 nan 8.270 nan 0.000 0.407 106 P HA 0.038 nan 4.420 nan 0.000 0.275 106 P C -0.530 176.805 177.300 0.059 0.000 1.270 106 P CA -0.180 62.968 63.100 0.081 0.000 0.791 106 P CB 0.713 32.465 31.700 0.087 0.000 1.089 107 K N -1.050 119.372 120.400 0.036 0.000 2.312 107 K HA 0.186 4.506 4.320 -0.001 0.000 0.206 107 K C 0.617 177.216 176.600 -0.003 0.000 1.121 107 K CA 0.721 57.017 56.287 0.015 0.000 0.923 107 K CB -0.315 32.190 32.500 0.009 0.000 1.162 107 K HN 0.313 nan 8.250 nan 0.000 0.478 108 S N 1.128 116.827 115.700 -0.001 0.000 2.488 108 S HA 0.193 4.662 4.470 -0.001 0.000 0.151 108 S C -1.052 173.545 174.600 -0.005 0.000 1.401 108 S CA -0.266 57.924 58.200 -0.017 0.000 1.221 108 S CB 0.577 63.757 63.200 -0.034 0.000 1.407 108 S HN 0.147 nan 8.310 nan 0.000 0.406 109 T N 1.742 116.304 114.554 0.013 0.000 2.952 109 T HA 0.529 4.878 4.350 -0.001 0.000 0.286 109 T C 0.165 174.877 174.700 0.020 0.000 1.024 109 T CA -0.112 62.000 62.100 0.019 0.000 1.029 109 T CB 1.004 69.894 68.868 0.038 0.000 1.094 109 T HN 0.395 nan 8.240 nan 0.000 0.515 110 T N 2.284 116.846 114.554 0.012 0.000 2.923 110 T HA 0.220 4.569 4.350 -0.001 0.000 0.304 110 T C -0.209 174.514 174.700 0.038 0.000 1.044 110 T CA -0.091 62.015 62.100 0.009 0.000 1.141 110 T CB 0.110 68.972 68.868 -0.009 0.000 1.023 110 T HN 0.388 nan 8.240 nan 0.000 0.533 111 V N 4.956 124.897 119.914 0.045 0.000 2.495 111 V HA 0.486 4.606 4.120 -0.001 0.000 0.298 111 V C -0.024 176.127 176.094 0.094 0.000 1.031 111 V CA -0.732 61.619 62.300 0.085 0.000 0.871 111 V CB 1.752 33.630 31.823 0.092 0.000 0.988 111 V HN 0.830 nan 8.190 nan 0.000 0.432 112 M N 4.831 124.510 119.600 0.132 0.000 2.190 112 M HA 0.542 5.022 4.480 -0.001 0.000 0.312 112 M C -1.299 175.234 176.300 0.388 0.000 0.990 112 M CA -0.669 54.718 55.300 0.143 0.000 0.927 112 M CB 2.149 34.709 32.600 -0.068 0.000 1.571 112 M HN 0.335 nan 8.290 nan 0.000 0.427 113 V N 3.311 123.506 119.914 0.468 0.000 2.357 113 V HA 0.312 4.431 4.120 -0.001 0.000 0.284 113 V C -0.711 175.730 176.094 0.578 0.000 1.018 113 V CA -0.626 61.953 62.300 0.464 0.000 0.841 113 V CB 1.404 33.366 31.823 0.232 0.000 0.991 113 V HN 0.856 nan 8.190 nan 0.000 0.437 114 W N 7.116 128.576 121.300 0.265 0.000 2.322 114 W HA 0.587 5.246 4.660 -0.001 0.000 0.307 114 W C -1.229 175.183 176.519 -0.178 0.000 1.220 114 W CA -0.723 56.450 57.345 -0.286 0.000 1.210 114 W CB 1.122 30.449 29.460 -0.222 0.000 1.223 114 W HN 0.444 nan 8.180 nan 0.000 0.511 115 I N 9.537 129.437 120.570 -1.116 0.000 2.359 115 I HA 0.046 4.216 4.170 -0.001 0.000 0.284 115 I C -0.165 175.203 176.117 -1.249 0.000 1.018 115 I CA -1.116 59.643 61.300 -0.901 0.000 1.173 115 I CB 0.521 38.164 38.000 -0.594 0.000 1.326 115 I HN 0.283 nan 8.210 nan 0.000 0.462 116 Y N 4.927 124.797 120.300 -0.717 0.000 2.480 116 Y HA 0.638 5.187 4.550 -0.001 0.000 0.338 116 Y C 0.688 176.494 175.900 -0.156 0.000 1.220 116 Y CA -0.981 56.847 58.100 -0.453 0.000 1.430 116 Y CB -0.060 38.341 38.460 -0.099 0.000 1.311 116 Y HN 0.526 nan 8.280 nan 0.000 0.575 117 G N -0.165 108.739 108.800 0.174 0.000 2.574 117 G HA2 0.486 4.446 3.960 -0.001 0.000 0.248 117 G HA3 0.486 4.446 3.960 -0.001 0.000 0.248 117 G C 0.296 175.209 174.900 0.022 0.000 1.422 117 G CA -0.895 44.223 45.100 0.030 0.000 1.051 117 G HN 1.781 nan 8.290 nan 0.000 0.560 118 G N -2.788 105.854 108.800 -0.263 0.000 2.192 118 G HA2 0.401 4.360 3.960 -0.001 0.000 0.152 118 G HA3 0.401 4.360 3.960 -0.001 0.000 0.152 118 G C 1.084 175.512 174.900 -0.788 0.000 1.057 118 G CA 0.677 45.492 45.100 -0.475 0.000 0.748 118 G HN 2.308 nan 8.290 nan 0.000 0.488 119 G N -0.656 107.671 108.800 -0.788 0.000 2.212 119 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.267 119 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.267 119 G C 0.976 175.638 174.900 -0.398 0.000 1.002 119 G CA 1.030 45.512 45.100 -1.030 0.000 0.729 119 G HN 1.816 nan 8.290 nan 0.000 0.517 120 F N -3.679 116.191 119.950 -0.133 0.000 2.748 120 F HA -0.311 4.216 4.527 -0.001 0.000 0.370 120 F C 1.485 177.415 175.800 0.217 0.000 0.620 120 F CA 2.195 60.233 58.000 0.063 0.000 1.233 120 F CB -2.016 36.860 39.000 -0.206 0.000 1.708 120 F HN 0.884 nan 8.300 nan 0.000 0.298 121 Y N -0.736 119.678 120.300 0.190 0.000 2.430 121 Y HA 0.663 5.213 4.550 -0.001 0.000 0.248 121 Y C 0.622 176.652 175.900 0.217 0.000 1.108 121 Y CA 0.260 58.493 58.100 0.222 0.000 1.264 121 Y CB 0.016 38.540 38.460 0.106 0.000 1.172 121 Y HN 0.084 nan 8.280 nan 0.000 0.520 122 S N -0.640 114.871 115.700 -0.315 0.000 2.656 122 S HA 0.909 5.379 4.470 -0.001 0.000 0.273 122 S C -0.299 174.160 174.600 -0.236 0.000 1.168 122 S CA -0.493 57.576 58.200 -0.219 0.000 0.817 122 S CB 1.608 64.617 63.200 -0.318 0.000 1.146 122 S HN 1.217 nan 8.310 nan 0.000 0.475 123 G N -0.207 108.414 108.800 -0.297 0.000 2.307 123 G HA2 0.443 4.403 3.960 -0.001 0.000 0.348 123 G HA3 0.443 4.403 3.960 -0.001 0.000 0.348 123 G C -1.268 172.920 174.900 -1.186 0.000 1.603 123 G CA -0.465 44.243 45.100 -0.653 0.000 0.961 123 G HN 1.156 nan 8.290 nan 0.000 0.686 124 S N -0.631 114.399 115.700 -1.116 0.000 2.546 124 S HA 0.641 5.110 4.470 -0.001 0.000 0.272 124 S C 0.988 175.488 174.600 -0.167 0.000 1.140 124 S CA 0.085 57.894 58.200 -0.651 0.000 0.920 124 S CB 1.803 64.830 63.200 -0.288 0.000 1.083 124 S HN 1.837 nan 8.310 nan 0.000 0.476 125 S N 0.524 116.312 115.700 0.147 0.000 2.470 125 S HA -0.085 4.385 4.470 -0.001 0.000 0.225 125 S C 1.611 176.348 174.600 0.228 0.000 1.006 125 S CA 1.082 59.553 58.200 0.451 0.000 0.934 125 S CB -0.682 62.826 63.200 0.514 0.000 0.778 125 S HN 0.839 nan 8.310 nan 0.000 0.517 126 T N 0.502 114.960 114.554 -0.159 0.000 3.148 126 T HA 0.322 4.672 4.350 -0.001 0.000 0.253 126 T C 0.631 175.038 174.700 -0.488 0.000 1.134 126 T CA -0.350 61.268 62.100 -0.804 0.000 1.051 126 T CB -0.706 67.556 68.868 -1.010 0.000 0.959 126 T HN 0.321 nan 8.240 nan 0.000 0.525 127 L N 1.871 122.957 121.223 -0.229 0.000 2.483 127 L HA 0.111 4.450 4.340 -0.001 0.000 0.276 127 L C 1.370 178.014 176.870 -0.377 0.000 1.213 127 L CA -0.166 54.441 54.840 -0.388 0.000 0.843 127 L CB 0.339 41.952 42.059 -0.743 0.000 1.107 127 L HN 0.112 nan 8.230 nan 0.000 0.487 128 D N 1.002 121.188 120.400 -0.357 0.000 2.149 128 D HA -0.153 4.487 4.640 -0.001 0.000 0.198 128 D C 1.856 177.943 176.300 -0.354 0.000 0.990 128 D CA 1.150 54.995 54.000 -0.258 0.000 0.839 128 D CB 0.060 40.718 40.800 -0.236 0.000 0.948 128 D HN 0.490 nan 8.370 nan 0.000 0.460 129 V N -1.141 118.399 119.914 -0.624 0.000 3.305 129 V HA -0.117 4.002 4.120 -0.001 0.000 0.269 129 V C 0.762 176.363 176.094 -0.821 0.000 1.157 129 V CA 0.892 62.782 62.300 -0.684 0.000 1.157 129 V CB -1.061 30.245 31.823 -0.863 0.000 0.772 129 V HN 0.139 nan 8.190 nan 0.000 0.498 130 Y N -0.085 119.763 120.300 -0.754 0.000 2.555 130 Y HA 0.431 4.981 4.550 -0.001 0.000 0.259 130 Y C 1.040 176.572 175.900 -0.613 0.000 1.179 130 Y CA -1.813 55.624 58.100 -1.105 0.000 1.230 130 Y CB -0.805 37.322 38.460 -0.554 0.000 1.146 130 Y HN 0.244 nan 8.280 nan 0.000 0.526 131 N N 1.440 119.986 118.700 -0.256 0.000 2.406 131 N HA -0.001 4.739 4.740 -0.001 0.000 0.274 131 N C 1.407 176.605 175.510 -0.520 0.000 1.249 131 N CA 0.551 53.428 53.050 -0.288 0.000 0.951 131 N CB 1.022 39.448 38.487 -0.102 0.000 1.241 131 N HN 0.479 nan 8.380 nan 0.000 0.485 132 G N 3.594 111.566 108.800 -1.380 0.000 2.509 132 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 132 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 132 G C 1.449 175.808 174.900 -0.902 0.000 1.124 132 G CA 0.719 45.200 45.100 -1.032 0.000 0.776 132 G HN 0.763 nan 8.290 nan 0.000 0.547 133 K N -0.302 119.310 120.400 -1.313 0.000 2.173 133 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 133 K C 1.853 178.238 176.600 -0.357 0.000 1.046 133 K CA 1.584 57.501 56.287 -0.617 0.000 0.929 133 K CB -0.598 31.578 32.500 -0.541 0.000 0.720 133 K HN 0.382 nan 8.250 nan 0.000 0.453 134 Y N 0.698 120.927 120.300 -0.118 0.000 2.286 134 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 134 Y C 2.300 178.201 175.900 0.002 0.000 1.124 134 Y CA 0.389 58.475 58.100 -0.023 0.000 1.178 134 Y CB -0.439 37.980 38.460 -0.070 0.000 1.010 134 Y HN 0.014 nan 8.280 nan 0.000 0.536 135 L N 0.233 121.489 121.223 0.055 0.000 2.044 135 L HA -0.006 4.334 4.340 -0.001 0.000 0.205 135 L C 2.395 179.286 176.870 0.035 0.000 1.075 135 L CA 1.840 56.666 54.840 -0.023 0.000 0.747 135 L CB -1.396 40.555 42.059 -0.180 0.000 0.903 135 L HN 0.143 nan 8.230 nan 0.000 0.435 136 A N -1.224 121.635 122.820 0.065 0.000 1.892 136 A HA -0.333 3.986 4.320 -0.001 0.000 0.218 136 A C 2.339 180.022 177.584 0.165 0.000 1.188 136 A CA 2.200 54.325 52.037 0.147 0.000 0.631 136 A CB -1.270 17.881 19.000 0.251 0.000 0.822 136 A HN 0.615 nan 8.150 nan 0.000 0.447 137 Y N 1.025 121.357 120.300 0.054 0.000 2.133 137 Y HA -0.160 4.390 4.550 -0.001 0.000 0.287 137 Y C 2.674 178.604 175.900 0.049 0.000 1.134 137 Y CA 2.432 60.565 58.100 0.055 0.000 1.133 137 Y CB -0.824 37.656 38.460 0.034 0.000 0.987 137 Y HN 0.287 nan 8.280 nan 0.000 0.502 138 T N 0.457 114.982 114.554 -0.049 0.000 2.746 138 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 138 T C 1.336 175.976 174.700 -0.100 0.000 1.039 138 T CA 1.716 63.730 62.100 -0.144 0.000 1.142 138 T CB -0.133 68.749 68.868 0.023 0.000 0.866 138 T HN 0.319 nan 8.240 nan 0.000 0.444 139 E N 0.373 120.560 120.200 -0.022 0.000 2.474 139 E HA 0.145 4.494 4.350 -0.001 0.000 0.195 139 E C 0.225 176.830 176.600 0.009 0.000 1.039 139 E CA 0.010 56.420 56.400 0.015 0.000 0.881 139 E CB 0.121 29.840 29.700 0.031 0.000 0.970 139 E HN 0.523 nan 8.360 nan 0.000 0.486 140 E N 0.105 120.302 120.200 -0.005 0.000 2.271 140 E HA -0.174 4.175 4.350 -0.001 0.000 0.223 140 E C -0.471 176.160 176.600 0.053 0.000 1.223 140 E CA 0.497 56.910 56.400 0.022 0.000 0.704 140 E CB -1.245 28.457 29.700 0.003 0.000 1.194 140 E HN 0.159 nan 8.360 nan 0.000 0.375 141 V N -3.385 116.573 119.914 0.073 0.000 3.019 141 V HA 0.728 4.848 4.120 -0.001 0.000 0.317 141 V C 0.287 176.464 176.094 0.140 0.000 1.094 141 V CA -0.958 61.392 62.300 0.083 0.000 1.000 141 V CB 2.313 34.167 31.823 0.053 0.000 1.060 141 V HN -0.077 nan 8.190 nan 0.000 0.443 142 V N 3.752 123.755 119.914 0.149 0.000 2.320 142 V HA 0.354 4.473 4.120 -0.001 0.000 0.265 142 V C 0.015 176.249 176.094 0.233 0.000 1.048 142 V CA -0.064 62.357 62.300 0.201 0.000 0.865 142 V CB 0.721 32.648 31.823 0.174 0.000 1.043 142 V HN 0.770 nan 8.190 nan 0.000 0.474 143 L N 6.918 128.333 121.223 0.321 0.000 2.265 143 L HA 0.542 4.882 4.340 -0.001 0.000 0.288 143 L C -0.384 176.799 176.870 0.523 0.000 1.058 143 L CA 0.178 55.261 54.840 0.405 0.000 0.809 143 L CB 1.239 43.532 42.059 0.390 0.000 1.179 143 L HN 0.389 nan 8.230 nan 0.000 0.429 144 V N 3.457 123.646 119.914 0.458 0.000 2.628 144 V HA 0.610 4.729 4.120 -0.001 0.000 0.306 144 V C -0.295 176.103 176.094 0.506 0.000 1.045 144 V CA -0.495 62.050 62.300 0.408 0.000 0.905 144 V CB 2.015 33.992 31.823 0.258 0.000 0.997 144 V HN 0.830 nan 8.190 nan 0.000 0.436 145 S N 4.859 120.866 115.700 0.511 0.000 2.707 145 S HA 0.764 5.234 4.470 -0.001 0.000 0.303 145 S C -0.822 173.998 174.600 0.367 0.000 1.132 145 S CA -0.766 57.751 58.200 0.529 0.000 1.046 145 S CB 1.218 64.853 63.200 0.725 0.000 1.004 145 S HN 0.694 nan 8.310 nan 0.000 0.483 146 L N 1.485 122.849 121.223 0.236 0.000 2.569 146 L HA 0.977 5.317 4.340 -0.001 0.000 0.247 146 L C 0.232 177.271 176.870 0.281 0.000 1.135 146 L CA -0.595 54.358 54.840 0.188 0.000 0.812 146 L CB 0.311 42.356 42.059 -0.023 0.000 1.431 146 L HN 0.830 nan 8.230 nan 0.000 0.499 147 S N -1.330 114.609 115.700 0.398 0.000 2.595 147 S HA 0.867 5.337 4.470 -0.001 0.000 0.281 147 S C -1.204 173.681 174.600 0.476 0.000 1.117 147 S CA -0.509 57.950 58.200 0.430 0.000 0.873 147 S CB 1.578 65.052 63.200 0.456 0.000 1.108 147 S HN 1.103 nan 8.310 nan 0.000 0.477 148 Y N -1.104 119.310 120.300 0.189 0.000 2.638 148 Y HA 0.684 5.234 4.550 -0.001 0.000 0.335 148 Y C -0.773 175.247 175.900 0.200 0.000 1.155 148 Y CA -1.389 56.814 58.100 0.171 0.000 1.046 148 Y CB 0.706 39.216 38.460 0.083 0.000 1.303 148 Y HN 0.770 nan 8.280 nan 0.000 0.460 149 R N 1.858 122.472 120.500 0.190 0.000 2.347 149 R HA 0.546 4.886 4.340 -0.001 0.000 0.304 149 R C -0.461 175.946 176.300 0.177 0.000 1.072 149 R CA -0.409 55.749 56.100 0.097 0.000 0.980 149 R CB 0.905 31.232 30.300 0.045 0.000 0.986 149 R HN 0.678 nan 8.270 nan 0.000 0.448 150 V N 0.472 120.536 119.914 0.251 0.000 2.994 150 V HA 0.913 5.032 4.120 -0.001 0.000 0.318 150 V C 0.784 177.215 176.094 0.560 0.000 1.085 150 V CA -0.033 62.560 62.300 0.489 0.000 0.998 150 V CB 1.276 33.280 31.823 0.303 0.000 1.063 150 V HN 0.972 nan 8.190 nan 0.000 0.447 151 G N 1.386 110.585 108.800 0.666 0.000 2.525 151 G HA2 0.082 4.042 3.960 -0.001 0.000 0.248 151 G HA3 0.082 4.042 3.960 -0.001 0.000 0.248 151 G C 0.845 175.975 174.900 0.385 0.000 1.238 151 G CA 0.553 45.989 45.100 0.559 0.000 0.926 151 G HN 2.039 nan 8.290 nan 0.000 0.574 152 A N -1.257 121.481 122.820 -0.135 0.000 1.970 152 A HA 0.428 4.748 4.320 -0.001 0.000 0.216 152 A C 2.200 179.703 177.584 -0.135 0.000 1.170 152 A CA 2.212 53.789 52.037 -0.766 0.000 0.645 152 A CB -0.436 17.800 19.000 -1.272 0.000 0.816 152 A HN 0.932 nan 8.150 nan 0.000 0.447 153 F N 0.361 120.369 119.950 0.096 0.000 2.154 153 F HA -0.091 4.435 4.527 -0.001 0.000 0.301 153 F C 2.342 178.144 175.800 0.002 0.000 1.087 153 F CA 1.386 59.393 58.000 0.012 0.000 1.274 153 F CB -0.533 38.439 39.000 -0.046 0.000 1.009 153 F HN 0.303 nan 8.300 nan 0.000 0.485 154 G N -3.032 105.853 108.800 0.142 0.000 3.192 154 G HA2 0.149 4.109 3.960 -0.001 0.000 0.239 154 G HA3 0.149 4.109 3.960 -0.001 0.000 0.239 154 G C 0.531 175.012 174.900 -0.698 0.000 1.084 154 G CA 0.030 44.979 45.100 -0.252 0.000 0.784 154 G HN 0.307 nan 8.290 nan 0.000 0.540 155 F N -0.511 119.528 119.950 0.149 0.000 2.960 155 F HA 0.407 4.934 4.527 -0.001 0.000 0.345 155 F C 0.265 176.090 175.800 0.042 0.000 1.147 155 F CA -1.026 57.036 58.000 0.103 0.000 1.099 155 F CB 0.434 39.527 39.000 0.155 0.000 1.219 155 F HN -0.077 nan 8.300 nan 0.000 0.525 156 L N 2.287 123.489 121.223 -0.034 0.000 2.534 156 L HA 0.461 4.801 4.340 -0.001 0.000 0.271 156 L C 0.301 177.130 176.870 -0.068 0.000 1.178 156 L CA 0.208 54.899 54.840 -0.248 0.000 0.907 156 L CB 0.303 41.938 42.059 -0.707 0.000 1.164 156 L HN 0.176 nan 8.230 nan 0.000 0.482 157 A N 7.121 129.961 122.820 0.033 0.000 2.328 157 A HA 0.537 4.857 4.320 -0.001 0.000 0.318 157 A C -0.472 177.129 177.584 0.030 0.000 1.347 157 A CA -0.455 51.612 52.037 0.050 0.000 0.842 157 A CB 0.154 19.211 19.000 0.094 0.000 1.148 157 A HN 0.736 nan 8.150 nan 0.000 0.499 158 L N 3.490 124.715 121.223 0.003 0.000 2.719 158 L HA 0.209 4.549 4.340 -0.001 0.000 0.236 158 L C 0.337 177.241 176.870 0.055 0.000 1.221 158 L CA -0.763 54.080 54.840 0.006 0.000 1.048 158 L CB -0.203 41.823 42.059 -0.056 0.000 1.364 158 L HN 0.886 nan 8.230 nan 0.000 0.447 159 H N 1.119 120.188 119.070 -0.002 0.000 3.107 159 H HA 0.074 4.629 4.556 -0.001 0.000 0.342 159 H C 1.323 176.656 175.328 0.008 0.000 1.076 159 H CA 1.724 57.779 56.048 0.011 0.000 1.356 159 H CB 0.782 30.554 29.762 0.017 0.000 1.281 159 H HN 0.624 nan 8.280 nan 0.000 0.604 160 G N 2.070 110.557 108.800 -0.522 0.000 2.299 160 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.237 160 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.237 160 G C 0.438 175.242 174.900 -0.160 0.000 1.027 160 G CA 0.616 45.529 45.100 -0.311 0.000 0.619 160 G HN 1.106 nan 8.290 nan 0.000 0.513 161 S N -0.061 115.578 115.700 -0.103 0.000 2.578 161 S HA 0.682 5.151 4.470 -0.001 0.000 0.283 161 S C 0.873 175.451 174.600 -0.036 0.000 1.195 161 S CA 0.162 58.331 58.200 -0.052 0.000 1.050 161 S CB 2.019 65.201 63.200 -0.029 0.000 1.012 161 S HN 0.134 nan 8.310 nan 0.000 0.511 162 Q N 1.099 120.890 119.800 -0.016 0.000 2.396 162 Q HA 0.208 4.547 4.340 -0.001 0.000 0.209 162 Q C 1.270 177.285 176.000 0.026 0.000 0.906 162 Q CA 0.521 56.325 55.803 0.003 0.000 0.927 162 Q CB -0.065 28.674 28.738 0.002 0.000 1.069 162 Q HN 0.781 nan 8.270 nan 0.000 0.523 163 E N 0.680 120.896 120.200 0.028 0.000 2.107 163 E HA 0.051 4.400 4.350 -0.001 0.000 0.191 163 E C -0.204 176.448 176.600 0.087 0.000 0.982 163 E CA 0.701 57.136 56.400 0.059 0.000 0.809 163 E CB 0.299 30.033 29.700 0.058 0.000 0.756 163 E HN 0.155 nan 8.360 nan 0.000 0.459 164 A N 0.323 123.168 122.820 0.041 0.000 3.007 164 A HA 0.346 4.666 4.320 -0.001 0.000 0.314 164 A C -2.264 175.329 177.584 0.014 0.000 1.153 164 A CA -0.965 51.087 52.037 0.025 0.000 0.780 164 A CB 0.865 19.796 19.000 -0.115 0.000 1.258 164 A HN -0.057 nan 8.150 nan 0.000 0.460 165 P HA 0.214 nan 4.420 nan 0.000 0.230 165 P C 0.892 178.258 177.300 0.109 0.000 1.168 165 P CA 1.529 64.674 63.100 0.076 0.000 0.793 165 P CB 0.368 32.115 31.700 0.078 0.000 0.851 166 G N 0.569 109.417 108.800 0.080 0.000 2.707 166 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.686 166 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.686 166 G C 0.045 174.996 174.900 0.086 0.000 1.315 166 G CA -0.178 44.979 45.100 0.095 0.000 0.832 166 G HN 0.128 nan 8.290 nan 0.000 0.573 167 N N -2.509 116.260 118.700 0.115 0.000 2.936 167 N HA -0.301 4.439 4.740 -0.001 0.000 0.236 167 N C 2.079 177.522 175.510 -0.111 0.000 0.930 167 N CA 2.662 55.732 53.050 0.033 0.000 0.966 167 N CB -1.466 36.984 38.487 -0.061 0.000 1.090 167 N HN 1.935 nan 8.380 nan 0.000 0.592 168 V N -2.093 117.748 119.914 -0.121 0.000 2.546 168 V HA -0.086 4.034 4.120 -0.001 0.000 0.254 168 V C 2.309 178.301 176.094 -0.170 0.000 1.076 168 V CA 2.549 64.795 62.300 -0.090 0.000 1.087 168 V CB -1.076 30.723 31.823 -0.039 0.000 0.674 168 V HN 0.302 nan 8.190 nan 0.000 0.470 169 G N 0.014 108.491 108.800 -0.538 0.000 2.422 169 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.218 169 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.218 169 G C 1.523 176.412 174.900 -0.018 0.000 1.140 169 G CA 0.983 45.832 45.100 -0.418 0.000 0.775 169 G HN 0.541 nan 8.290 nan 0.000 0.545 170 L N -0.145 121.057 121.223 -0.035 0.000 2.131 170 L HA 0.138 4.477 4.340 -0.001 0.000 0.206 170 L C 2.773 179.768 176.870 0.209 0.000 1.087 170 L CA 0.296 55.133 54.840 -0.004 0.000 0.767 170 L CB -0.235 41.540 42.059 -0.473 0.000 0.917 170 L HN 0.171 nan 8.230 nan 0.000 0.441 171 L N -0.506 120.827 121.223 0.184 0.000 2.141 171 L HA -0.213 4.127 4.340 -0.001 0.000 0.209 171 L C 1.951 178.932 176.870 0.185 0.000 1.094 171 L CA 0.990 55.970 54.840 0.233 0.000 0.763 171 L CB -0.590 41.572 42.059 0.172 0.000 0.908 171 L HN 0.259 nan 8.230 nan 0.000 0.437 172 D N -0.215 120.293 120.400 0.179 0.000 2.117 172 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 172 D C 2.343 178.758 176.300 0.193 0.000 0.982 172 D CA 1.011 55.181 54.000 0.283 0.000 0.828 172 D CB -0.026 40.961 40.800 0.311 0.000 0.967 172 D HN 0.321 nan 8.370 nan 0.000 0.464 173 Q N -0.111 119.752 119.800 0.105 0.000 2.079 173 Q HA -0.109 4.231 4.340 -0.001 0.000 0.200 173 Q C 2.226 178.146 176.000 -0.134 0.000 0.974 173 Q CA 0.896 56.675 55.803 -0.041 0.000 0.840 173 Q CB -0.022 28.714 28.738 -0.004 0.000 0.898 173 Q HN 0.189 nan 8.270 nan 0.000 0.430 174 R N 0.747 121.240 120.500 -0.012 0.000 2.081 174 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 174 R C 2.171 178.424 176.300 -0.077 0.000 1.131 174 R CA 1.472 57.525 56.100 -0.078 0.000 0.960 174 R CB -0.187 30.155 30.300 0.070 0.000 0.856 174 R HN 0.280 nan 8.270 nan 0.000 0.436 175 M N -0.025 119.561 119.600 -0.023 0.000 2.374 175 M HA -0.069 4.410 4.480 -0.001 0.000 0.264 175 M C 1.872 178.077 176.300 -0.157 0.000 1.067 175 M CA 1.708 57.022 55.300 0.023 0.000 1.103 175 M CB 0.080 32.806 32.600 0.210 0.000 1.402 175 M HN 0.307 nan 8.290 nan 0.000 0.444 176 A N 0.194 122.650 122.820 -0.606 0.000 1.930 176 A HA -0.007 4.313 4.320 -0.001 0.000 0.215 176 A C 1.948 179.396 177.584 -0.226 0.000 1.176 176 A CA 0.832 52.340 52.037 -0.882 0.000 0.632 176 A CB -0.661 17.562 19.000 -1.294 0.000 0.819 176 A HN 0.544 nan 8.150 nan 0.000 0.445 177 L N -0.887 120.230 121.223 -0.177 0.000 2.093 177 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 177 L C 2.836 179.735 176.870 0.047 0.000 1.085 177 L CA 1.641 56.451 54.840 -0.051 0.000 0.755 177 L CB -0.365 41.622 42.059 -0.120 0.000 0.904 177 L HN 0.451 nan 8.230 nan 0.000 0.435 178 Q N -0.461 119.358 119.800 0.031 0.000 2.119 178 Q HA -0.253 4.087 4.340 -0.001 0.000 0.201 178 Q C 1.941 178.039 176.000 0.163 0.000 0.972 178 Q CA 1.821 57.666 55.803 0.071 0.000 0.847 178 Q CB -0.458 28.312 28.738 0.055 0.000 0.903 178 Q HN 0.490 nan 8.270 nan 0.000 0.433 179 W N -0.892 120.412 121.300 0.007 0.000 2.402 179 W HA -0.068 4.591 4.660 -0.001 0.000 0.286 179 W C 1.615 178.175 176.519 0.068 0.000 1.221 179 W CA 1.231 58.610 57.345 0.055 0.000 1.257 179 W CB 0.205 29.702 29.460 0.061 0.000 1.120 179 W HN -0.012 nan 8.180 nan 0.000 0.551 180 V N -0.315 119.797 119.914 0.330 0.000 2.453 180 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 180 V C 2.456 178.589 176.094 0.064 0.000 1.048 180 V CA 2.173 64.607 62.300 0.224 0.000 1.049 180 V CB -1.166 30.779 31.823 0.203 0.000 0.672 180 V HN 0.319 nan 8.190 nan 0.000 0.457 181 H N 0.610 119.675 119.070 -0.009 0.000 2.387 181 H HA -0.153 4.402 4.556 -0.001 0.000 0.299 181 H C 1.754 177.007 175.328 -0.124 0.000 1.090 181 H CA 1.967 57.984 56.048 -0.051 0.000 1.332 181 H CB 0.148 29.892 29.762 -0.031 0.000 1.386 181 H HN 0.415 nan 8.280 nan 0.000 0.516 182 D N -0.329 120.028 120.400 -0.071 0.000 2.249 182 D HA -0.025 4.615 4.640 -0.001 0.000 0.205 182 D C 1.059 177.161 176.300 -0.330 0.000 0.962 182 D CA 0.576 54.467 54.000 -0.181 0.000 0.860 182 D CB 0.046 40.769 40.800 -0.128 0.000 0.955 182 D HN 0.484 nan 8.370 nan 0.000 0.505 183 N N -0.210 118.219 118.700 -0.451 0.000 2.143 183 N HA 0.045 4.785 4.740 -0.001 0.000 0.222 183 N C 1.103 176.505 175.510 -0.181 0.000 1.264 183 N CA -0.098 52.695 53.050 -0.429 0.000 0.897 183 N CB 1.293 39.233 38.487 -0.912 0.000 1.092 183 N HN -0.010 nan 8.380 nan 0.000 0.516 184 I N 2.930 123.422 120.570 -0.129 0.000 2.756 184 I HA -0.212 3.957 4.170 -0.001 0.000 0.262 184 I C 2.522 178.630 176.117 -0.014 0.000 1.225 184 I CA 1.223 62.564 61.300 0.069 0.000 1.472 184 I CB -0.127 37.900 38.000 0.045 0.000 1.094 184 I HN 0.179 nan 8.210 nan 0.000 0.454 185 Q N -0.476 119.125 119.800 -0.331 0.000 2.046 185 Q HA -0.217 4.122 4.340 -0.001 0.000 0.200 185 Q C 1.840 177.623 176.000 -0.361 0.000 0.975 185 Q CA 1.697 57.246 55.803 -0.425 0.000 0.836 185 Q CB -1.039 27.284 28.738 -0.692 0.000 0.896 185 Q HN 0.387 nan 8.270 nan 0.000 0.428 186 F N -0.243 119.619 119.950 -0.147 0.000 2.664 186 F HA 0.041 4.568 4.527 -0.001 0.000 0.297 186 F C 0.882 176.412 175.800 -0.451 0.000 1.164 186 F CA 0.410 58.229 58.000 -0.302 0.000 1.472 186 F CB -0.290 38.461 39.000 -0.416 0.000 1.108 186 F HN 0.019 nan 8.300 nan 0.000 0.596 187 F N -0.801 119.140 119.950 -0.014 0.000 2.682 187 F HA 0.413 4.940 4.527 -0.001 0.000 0.308 187 F C 1.747 177.551 175.800 0.007 0.000 1.093 187 F CA 0.350 58.325 58.000 -0.041 0.000 1.244 187 F CB 0.432 39.393 39.000 -0.065 0.000 1.052 187 F HN -0.005 nan 8.300 nan 0.000 0.573 188 G N 0.595 109.461 108.800 0.109 0.000 2.131 188 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.223 188 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.223 188 G C 0.391 175.333 174.900 0.070 0.000 0.990 188 G CA -0.265 44.882 45.100 0.078 0.000 0.671 188 G HN 0.680 nan 8.290 nan 0.000 0.521 189 G N -0.405 108.435 108.800 0.066 0.000 2.371 189 G HA2 0.524 4.484 3.960 -0.001 0.000 0.326 189 G HA3 0.524 4.484 3.960 -0.001 0.000 0.326 189 G C -0.796 174.089 174.900 -0.024 0.000 1.127 189 G CA 0.105 45.232 45.100 0.045 0.000 0.885 189 G HN 0.272 nan 8.290 nan 0.000 0.477 190 D N 2.404 122.790 120.400 -0.023 0.000 2.393 190 D HA 0.234 4.874 4.640 -0.001 0.000 0.232 190 D C -1.147 175.117 176.300 -0.061 0.000 1.192 190 D CA -2.415 51.551 54.000 -0.056 0.000 0.882 190 D CB 1.550 42.327 40.800 -0.040 0.000 1.038 190 D HN 0.085 nan 8.370 nan 0.000 0.499 191 P HA -0.085 nan 4.420 nan 0.000 0.242 191 P C 0.501 177.752 177.300 -0.082 0.000 1.198 191 P CA 0.394 63.416 63.100 -0.130 0.000 0.756 191 P CB 0.388 31.902 31.700 -0.309 0.000 0.911 192 K N -1.097 119.266 120.400 -0.062 0.000 2.373 192 K HA 0.176 4.495 4.320 -0.001 0.000 0.200 192 K C 0.285 176.873 176.600 -0.020 0.000 1.054 192 K CA 0.493 56.758 56.287 -0.037 0.000 1.065 192 K CB 0.054 32.522 32.500 -0.053 0.000 0.886 192 K HN -0.075 nan 8.250 nan 0.000 0.546 193 T N 0.480 115.026 114.554 -0.013 0.000 3.658 193 T HA 0.310 4.660 4.350 -0.001 0.000 0.245 193 T C -1.002 173.711 174.700 0.021 0.000 1.292 193 T CA -0.415 61.679 62.100 -0.010 0.000 1.598 193 T CB 0.694 69.543 68.868 -0.032 0.000 0.861 193 T HN -0.340 nan 8.240 nan 0.000 0.663 194 V N 2.266 122.220 119.914 0.066 0.000 2.370 194 V HA 0.491 4.610 4.120 -0.001 0.000 0.283 194 V C 0.288 176.482 176.094 0.167 0.000 1.023 194 V CA -0.494 61.876 62.300 0.116 0.000 0.857 194 V CB 1.686 33.601 31.823 0.154 0.000 0.985 194 V HN 0.569 nan 8.190 nan 0.000 0.443 195 T N 6.480 121.118 114.554 0.140 0.000 2.771 195 T HA 0.611 4.961 4.350 -0.001 0.000 0.281 195 T C -0.108 174.711 174.700 0.199 0.000 0.982 195 T CA -0.178 62.022 62.100 0.168 0.000 0.978 195 T CB 0.935 69.861 68.868 0.096 0.000 0.930 195 T HN 0.606 nan 8.240 nan 0.000 0.447 196 I N 1.546 122.213 120.570 0.162 0.000 2.385 196 I HA 0.855 5.025 4.170 -0.001 0.000 0.294 196 I C -0.804 175.490 176.117 0.294 0.000 0.988 196 I CA -0.985 60.399 61.300 0.140 0.000 1.265 196 I CB 0.832 38.702 38.000 -0.216 0.000 1.388 196 I HN 0.499 nan 8.210 nan 0.000 0.480 197 F N 2.961 122.935 119.950 0.040 0.000 2.619 197 F HA 0.993 5.520 4.527 -0.001 0.000 0.308 197 F C -0.507 175.222 175.800 -0.118 0.000 1.097 197 F CA -1.465 56.588 58.000 0.089 0.000 0.953 197 F CB 1.331 40.518 39.000 0.311 0.000 1.287 197 F HN 0.828 nan 8.300 nan 0.000 0.446 198 G N 1.219 109.829 108.800 -0.317 0.000 2.646 198 G HA2 0.474 4.434 3.960 -0.001 0.000 0.291 198 G HA3 0.474 4.434 3.960 -0.001 0.000 0.291 198 G C -2.450 172.244 174.900 -0.343 0.000 1.445 198 G CA -0.807 43.716 45.100 -0.962 0.000 0.814 198 G HN 0.827 nan 8.290 nan 0.000 0.495 199 E N 0.614 120.632 120.200 -0.303 0.000 2.179 199 E HA 0.574 4.924 4.350 -0.001 0.000 0.275 199 E C 0.823 177.430 176.600 0.012 0.000 0.945 199 E CA 0.413 56.872 56.400 0.098 0.000 0.792 199 E CB 1.836 31.758 29.700 0.371 0.000 1.125 199 E HN 0.767 nan 8.360 nan 0.000 0.397 200 S N 3.398 119.159 115.700 0.103 0.000 4.150 200 S HA -0.409 4.061 4.470 -0.001 0.000 0.575 200 S C 1.508 176.201 174.600 0.155 0.000 1.878 200 S CA 2.182 60.523 58.200 0.234 0.000 4.245 200 S CB -1.588 61.761 63.200 0.249 0.000 0.231 200 S HN 0.881 nan 8.310 nan 0.000 0.469 201 A N 1.097 123.905 122.820 -0.021 0.000 2.024 201 A HA 0.173 4.493 4.320 -0.001 0.000 0.220 201 A C 2.417 179.754 177.584 -0.412 0.000 1.164 201 A CA 2.401 54.179 52.037 -0.431 0.000 0.643 201 A CB -1.444 17.058 19.000 -0.829 0.000 0.806 201 A HN 1.536 nan 8.150 nan 0.000 0.451 202 G N -0.962 107.667 108.800 -0.285 0.000 2.453 202 G HA2 0.167 4.127 3.960 -0.001 0.000 0.215 202 G HA3 0.167 4.127 3.960 -0.001 0.000 0.215 202 G C 1.436 176.158 174.900 -0.297 0.000 1.147 202 G CA 1.024 45.900 45.100 -0.374 0.000 0.802 202 G HN 0.638 nan 8.290 nan 0.000 0.535 203 G N 1.012 109.701 108.800 -0.185 0.000 2.403 203 G HA2 0.121 4.081 3.960 -0.001 0.000 0.216 203 G HA3 0.121 4.081 3.960 -0.001 0.000 0.216 203 G C 1.947 176.747 174.900 -0.167 0.000 1.154 203 G CA 1.372 46.399 45.100 -0.121 0.000 0.784 203 G HN 0.563 nan 8.290 nan 0.000 0.538 204 A N 0.486 123.215 122.820 -0.152 0.000 1.929 204 A HA 0.140 4.460 4.320 -0.001 0.000 0.216 204 A C 2.651 180.138 177.584 -0.160 0.000 1.176 204 A CA 1.970 53.883 52.037 -0.207 0.000 0.628 204 A CB -0.473 18.402 19.000 -0.209 0.000 0.816 204 A HN 0.281 nan 8.150 nan 0.000 0.444 205 S N -0.415 115.210 115.700 -0.124 0.000 2.348 205 S HA -0.141 4.328 4.470 -0.001 0.000 0.221 205 S C 1.958 176.412 174.600 -0.243 0.000 1.033 205 S CA 1.428 59.525 58.200 -0.172 0.000 1.010 205 S CB -0.493 62.566 63.200 -0.236 0.000 0.891 205 S HN 0.326 nan 8.310 nan 0.000 0.442 206 V N 1.488 121.294 119.914 -0.180 0.000 2.250 206 V HA -0.262 3.857 4.120 -0.001 0.000 0.250 206 V C 2.508 178.533 176.094 -0.116 0.000 1.060 206 V CA 2.176 64.399 62.300 -0.129 0.000 1.030 206 V CB -1.377 30.366 31.823 -0.134 0.000 0.643 206 V HN 0.629 nan 8.190 nan 0.000 0.445 207 G N -1.844 106.843 108.800 -0.189 0.000 2.471 207 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 207 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 207 G C 1.538 176.413 174.900 -0.041 0.000 1.125 207 G CA 0.682 45.655 45.100 -0.212 0.000 0.775 207 G HN 0.468 nan 8.290 nan 0.000 0.548 208 M N -0.308 119.265 119.600 -0.045 0.000 2.419 208 M HA 0.096 4.576 4.480 -0.001 0.000 0.264 208 M C 2.025 178.436 176.300 0.186 0.000 1.082 208 M CA 0.643 56.039 55.300 0.160 0.000 1.119 208 M CB 0.068 32.749 32.600 0.134 0.000 1.398 208 M HN 0.159 nan 8.290 nan 0.000 0.453 209 H N -0.627 118.547 119.070 0.173 0.000 2.482 209 H HA 0.138 4.694 4.556 -0.001 0.000 0.286 209 H C 1.983 177.506 175.328 0.325 0.000 1.017 209 H CA 1.036 57.178 56.048 0.158 0.000 1.322 209 H CB 0.068 29.787 29.762 -0.072 0.000 1.426 209 H HN 0.377 nan 8.280 nan 0.000 0.546 210 I N 0.296 121.127 120.570 0.436 0.000 2.439 210 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 210 I C 1.822 178.211 176.117 0.454 0.000 1.139 210 I CA 0.847 62.469 61.300 0.537 0.000 1.438 210 I CB 0.068 38.346 38.000 0.464 0.000 1.085 210 I HN 0.115 nan 8.210 nan 0.000 0.427 211 L N -0.764 120.682 121.223 0.372 0.000 2.253 211 L HA 0.050 4.390 4.340 -0.001 0.000 0.205 211 L C 1.444 178.449 176.870 0.224 0.000 1.078 211 L CA 0.203 55.256 54.840 0.355 0.000 0.805 211 L CB -0.105 42.177 42.059 0.371 0.000 0.963 211 L HN -0.005 nan 8.230 nan 0.000 0.459 212 S N 0.342 116.105 115.700 0.105 0.000 2.465 212 S HA 0.109 4.579 4.470 -0.001 0.000 0.280 212 S C -1.507 173.007 174.600 -0.143 0.000 1.232 212 S CA -1.343 56.741 58.200 -0.194 0.000 1.066 212 S CB 0.814 63.538 63.200 -0.793 0.000 0.929 212 S HN -0.077 nan 8.310 nan 0.000 0.494 213 P HA -0.053 nan 4.420 nan 0.000 0.216 213 P C 1.269 178.489 177.300 -0.133 0.000 1.150 213 P CA 1.046 64.089 63.100 -0.096 0.000 0.843 213 P CB -0.069 31.581 31.700 -0.083 0.000 0.787 214 G N -1.752 106.918 108.800 -0.216 0.000 2.956 214 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.207 214 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.207 214 G C 1.153 175.946 174.900 -0.179 0.000 1.162 214 G CA 0.320 45.298 45.100 -0.202 0.000 0.796 214 G HN 0.216 nan 8.290 nan 0.000 0.527 215 S N -0.735 114.887 115.700 -0.131 0.000 2.593 215 S HA 0.117 4.587 4.470 -0.001 0.000 0.235 215 S C 2.177 176.863 174.600 0.144 0.000 1.059 215 S CA -0.520 57.689 58.200 0.015 0.000 0.953 215 S CB 0.319 63.609 63.200 0.150 0.000 0.897 215 S HN 0.368 nan 8.310 nan 0.000 0.507 216 R N 2.215 122.742 120.500 0.045 0.000 2.096 216 R HA -0.121 4.218 4.340 -0.001 0.000 0.240 216 R C 0.891 176.929 176.300 -0.436 0.000 1.139 216 R CA 1.787 57.795 56.100 -0.153 0.000 0.952 216 R CB -0.725 29.521 30.300 -0.089 0.000 0.854 216 R HN 0.296 nan 8.270 nan 0.000 0.436 217 D N 0.930 121.178 120.400 -0.254 0.000 2.351 217 D HA -0.078 4.561 4.640 -0.001 0.000 0.216 217 D C 1.428 177.577 176.300 -0.252 0.000 0.968 217 D CA 0.840 54.689 54.000 -0.251 0.000 0.899 217 D CB -0.071 40.616 40.800 -0.189 0.000 0.907 217 D HN 0.265 nan 8.370 nan 0.000 0.514 218 L N 0.035 121.143 121.223 -0.190 0.000 2.645 218 L HA 0.171 4.510 4.340 -0.001 0.000 0.234 218 L C -0.300 176.681 176.870 0.186 0.000 1.165 218 L CA -0.228 54.594 54.840 -0.030 0.000 0.944 218 L CB -0.623 41.448 42.059 0.021 0.000 1.149 218 L HN -0.061 nan 8.230 nan 0.000 0.446 219 F N -4.828 115.130 119.950 0.013 0.000 2.746 219 F HA 0.435 4.961 4.527 -0.001 0.000 0.311 219 F C 0.209 176.036 175.800 0.046 0.000 1.135 219 F CA -1.391 56.633 58.000 0.039 0.000 0.954 219 F CB 0.973 39.993 39.000 0.033 0.000 1.276 219 F HN -0.369 nan 8.300 nan 0.000 0.440 220 R N 1.319 121.892 120.500 0.122 0.000 2.046 220 R HA 0.396 4.735 4.340 -0.001 0.000 0.223 220 R C 0.162 176.542 176.300 0.134 0.000 1.179 220 R CA 1.661 57.785 56.100 0.039 0.000 0.952 220 R CB 0.126 30.442 30.300 0.027 0.000 0.843 220 R HN 0.824 nan 8.270 nan 0.000 0.439 221 R N -1.207 119.442 120.500 0.248 0.000 2.950 221 R HA 0.803 5.142 4.340 -0.001 0.000 0.253 221 R C -1.379 175.165 176.300 0.406 0.000 1.168 221 R CA -0.833 55.446 56.100 0.298 0.000 1.014 221 R CB 1.554 31.908 30.300 0.089 0.000 1.228 221 R HN 0.169 nan 8.270 nan 0.000 0.487 222 A N 0.815 123.862 122.820 0.377 0.000 2.515 222 A HA 0.706 5.026 4.320 -0.001 0.000 0.298 222 A C -1.069 176.613 177.584 0.163 0.000 1.059 222 A CA -0.904 51.275 52.037 0.236 0.000 0.698 222 A CB 1.508 20.590 19.000 0.138 0.000 1.289 222 A HN 0.626 nan 8.150 nan 0.000 0.404 223 I N 1.466 122.100 120.570 0.107 0.000 2.436 223 I HA 0.399 4.569 4.170 -0.001 0.000 0.289 223 I C -1.488 174.687 176.117 0.097 0.000 1.010 223 I CA -0.609 60.685 61.300 -0.009 0.000 1.098 223 I CB 1.895 39.844 38.000 -0.085 0.000 1.266 223 I HN 0.423 nan 8.210 nan 0.000 0.434 224 L N 6.605 127.861 121.223 0.054 0.000 2.343 224 L HA 0.451 4.791 4.340 -0.001 0.000 0.278 224 L C -0.519 176.453 176.870 0.169 0.000 0.996 224 L CA -0.279 54.599 54.840 0.063 0.000 0.831 224 L CB 1.577 43.602 42.059 -0.057 0.000 1.232 224 L HN 0.489 nan 8.230 nan 0.000 0.413 225 Q N 1.662 121.615 119.800 0.255 0.000 2.347 225 Q HA 0.494 4.834 4.340 -0.001 0.000 0.262 225 Q C -0.029 176.114 176.000 0.238 0.000 0.980 225 Q CA -0.526 55.494 55.803 0.362 0.000 0.867 225 Q CB 1.492 30.542 28.738 0.520 0.000 1.242 225 Q HN 0.650 nan 8.270 nan 0.000 0.453 226 S N 1.165 116.994 115.700 0.215 0.000 3.550 226 S HA -0.155 4.314 4.470 -0.001 0.000 0.372 226 S C 0.063 174.847 174.600 0.305 0.000 0.966 226 S CA 0.474 58.831 58.200 0.262 0.000 1.229 226 S CB -1.336 62.044 63.200 0.299 0.000 0.917 226 S HN 0.984 nan 8.310 nan 0.000 0.496 227 G N -0.603 108.296 108.800 0.164 0.000 2.442 227 G HA2 0.640 4.600 3.960 -0.001 0.000 0.296 227 G HA3 0.640 4.600 3.960 -0.001 0.000 0.296 227 G C -0.985 173.859 174.900 -0.093 0.000 1.564 227 G CA 0.136 45.314 45.100 0.131 0.000 0.828 227 G HN 1.349 nan 8.290 nan 0.000 0.571 228 S N 0.718 116.276 115.700 -0.237 0.000 2.588 228 S HA 0.799 5.268 4.470 -0.001 0.000 0.269 228 S C -2.309 171.984 174.600 -0.512 0.000 1.157 228 S CA -0.589 57.328 58.200 -0.472 0.000 0.824 228 S CB 2.585 65.516 63.200 -0.447 0.000 1.126 228 S HN 0.429 nan 8.310 nan 0.000 0.464 229 P HA -0.088 nan 4.420 nan 0.000 0.218 229 P C 0.551 177.608 177.300 -0.405 0.000 1.149 229 P CA 1.333 64.177 63.100 -0.426 0.000 0.817 229 P CB -0.428 31.073 31.700 -0.330 0.000 0.785 230 N N -0.766 117.726 118.700 -0.346 0.000 2.362 230 N HA -0.004 4.736 4.740 -0.001 0.000 0.211 230 N C -0.214 175.060 175.510 -0.394 0.000 1.170 230 N CA -0.301 52.577 53.050 -0.286 0.000 0.828 230 N CB -1.440 36.995 38.487 -0.086 0.000 1.034 230 N HN 0.015 nan 8.380 nan 0.000 0.475 231 C N 2.618 121.570 119.300 -0.580 0.000 2.637 231 C HA 0.167 4.627 4.460 -0.001 0.000 0.418 231 C C -0.393 174.106 174.990 -0.819 0.000 1.319 231 C CA -1.029 57.518 59.018 -0.785 0.000 1.949 231 C CB 1.197 28.193 27.740 -1.240 0.000 2.639 231 C HN 0.349 nan 8.230 nan 0.000 0.594 232 P HA -0.142 nan 4.420 nan 0.000 0.219 232 P C 1.092 178.237 177.300 -0.257 0.000 1.144 232 P CA 1.930 64.785 63.100 -0.409 0.000 0.806 232 P CB -0.087 31.374 31.700 -0.397 0.000 0.771 233 W N -1.985 119.218 121.300 -0.162 0.000 3.058 233 W HA 0.583 5.243 4.660 -0.000 0.000 0.306 233 W C 1.310 177.901 176.519 0.120 0.000 1.188 233 W CA 0.360 57.707 57.345 0.004 0.000 1.651 233 W CB -1.045 28.503 29.460 0.146 0.000 1.051 233 W HN -0.136 nan 8.180 nan 0.000 0.592 234 A N 1.584 124.005 122.820 -0.665 0.000 2.119 234 A HA 0.104 4.424 4.320 -0.001 0.000 0.217 234 A C 1.122 178.437 177.584 -0.448 0.000 1.153 234 A CA 1.453 53.211 52.037 -0.465 0.000 0.692 234 A CB -0.575 17.968 19.000 -0.761 0.000 0.799 234 A HN 0.255 nan 8.150 nan 0.000 0.458 235 S N -2.051 113.413 115.700 -0.394 0.000 2.588 235 S HA 0.623 5.092 4.470 -0.001 0.000 0.269 235 S C -0.729 173.703 174.600 -0.280 0.000 1.157 235 S CA -0.077 57.885 58.200 -0.397 0.000 0.824 235 S CB 1.217 64.109 63.200 -0.512 0.000 1.126 235 S HN 1.366 nan 8.310 nan 0.000 0.464 236 V N -0.795 118.973 119.914 -0.242 0.000 3.156 236 V HA 0.957 5.077 4.120 -0.001 0.000 0.310 236 V C 0.222 176.216 176.094 -0.167 0.000 1.234 236 V CA -0.389 61.803 62.300 -0.180 0.000 1.065 236 V CB 1.026 32.764 31.823 -0.142 0.000 1.088 236 V HN 1.567 nan 8.190 nan 0.000 0.451 237 S N 0.132 115.751 115.700 -0.134 0.000 2.645 237 S HA 0.397 4.867 4.470 -0.001 0.000 0.266 237 S C 1.162 175.698 174.600 -0.107 0.000 1.258 237 S CA 0.055 58.182 58.200 -0.121 0.000 0.990 237 S CB 1.248 64.390 63.200 -0.097 0.000 0.967 237 S HN 2.098 nan 8.310 nan 0.000 0.556 238 V N -1.227 118.613 119.914 -0.124 0.000 2.667 238 V HA 0.111 4.230 4.120 -0.001 0.000 0.252 238 V C 2.526 178.591 176.094 -0.049 0.000 1.065 238 V CA 1.412 63.646 62.300 -0.110 0.000 1.083 238 V CB -1.979 29.692 31.823 -0.255 0.000 0.692 238 V HN 0.988 nan 8.190 nan 0.000 0.468 239 A N 0.973 123.761 122.820 -0.053 0.000 1.858 239 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 239 A C 2.228 179.787 177.584 -0.043 0.000 1.190 239 A CA 2.093 54.110 52.037 -0.034 0.000 0.617 239 A CB -0.711 18.268 19.000 -0.035 0.000 0.827 239 A HN 0.630 nan 8.150 nan 0.000 0.443 240 E N 0.057 120.219 120.200 -0.063 0.000 2.106 240 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 240 E C 1.925 178.482 176.600 -0.072 0.000 0.984 240 E CA 1.566 57.916 56.400 -0.083 0.000 0.806 240 E CB -0.781 28.856 29.700 -0.105 0.000 0.750 240 E HN 0.401 nan 8.360 nan 0.000 0.458 241 G N 0.451 109.222 108.800 -0.049 0.000 2.422 241 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.218 241 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.218 241 G C 1.766 176.676 174.900 0.018 0.000 1.146 241 G CA 0.777 45.874 45.100 -0.006 0.000 0.769 241 G HN 0.301 nan 8.290 nan 0.000 0.547 242 R N 0.074 120.577 120.500 0.005 0.000 2.073 242 R HA 0.075 4.414 4.340 -0.001 0.000 0.229 242 R C 2.567 178.862 176.300 -0.007 0.000 1.120 242 R CA 0.897 57.002 56.100 0.008 0.000 0.967 242 R CB -0.320 29.988 30.300 0.014 0.000 0.862 242 R HN 0.219 nan 8.270 nan 0.000 0.436 243 R N 0.716 121.200 120.500 -0.026 0.000 2.083 243 R HA -0.139 4.201 4.340 -0.001 0.000 0.237 243 R C 2.083 178.356 176.300 -0.045 0.000 1.137 243 R CA 1.912 57.987 56.100 -0.042 0.000 0.951 243 R CB -0.112 30.147 30.300 -0.068 0.000 0.851 243 R HN 0.292 nan 8.270 nan 0.000 0.434 244 R N -0.480 119.988 120.500 -0.054 0.000 2.148 244 R HA -0.003 4.337 4.340 -0.001 0.000 0.223 244 R C 2.235 178.580 176.300 0.075 0.000 1.088 244 R CA 0.952 57.012 56.100 -0.066 0.000 0.985 244 R CB -0.162 30.023 30.300 -0.193 0.000 0.880 244 R HN 0.221 nan 8.270 nan 0.000 0.451 245 A N 0.863 123.743 122.820 0.101 0.000 1.872 245 A HA -0.071 4.249 4.320 -0.001 0.000 0.214 245 A C 2.325 179.914 177.584 0.010 0.000 1.187 245 A CA 1.078 53.163 52.037 0.079 0.000 0.614 245 A CB -0.395 18.598 19.000 -0.012 0.000 0.826 245 A HN 0.082 nan 8.150 nan 0.000 0.442 246 V N 0.063 119.974 119.914 -0.004 0.000 2.358 246 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 246 V C 2.574 178.665 176.094 -0.004 0.000 1.047 246 V CA 2.287 64.579 62.300 -0.012 0.000 1.035 246 V CB -0.701 31.114 31.823 -0.013 0.000 0.658 246 V HN 0.646 nan 8.190 nan 0.000 0.452 247 E N 0.322 120.519 120.200 -0.004 0.000 2.160 247 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 247 E C 1.903 178.512 176.600 0.015 0.000 0.991 247 E CA 1.187 57.584 56.400 -0.006 0.000 0.810 247 E CB -0.397 29.284 29.700 -0.031 0.000 0.742 247 E HN 0.499 nan 8.360 nan 0.000 0.466 248 L N -0.810 120.440 121.223 0.046 0.000 2.156 248 L HA 0.107 4.447 4.340 -0.001 0.000 0.208 248 L C 2.068 178.956 176.870 0.030 0.000 1.095 248 L CA 1.891 56.776 54.840 0.075 0.000 0.770 248 L CB -0.588 41.577 42.059 0.177 0.000 0.914 248 L HN 0.220 nan 8.230 nan 0.000 0.439 249 G N -1.020 107.783 108.800 0.006 0.000 2.403 249 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 249 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 249 G C 1.750 176.652 174.900 0.004 0.000 1.154 249 G CA 0.615 45.712 45.100 -0.006 0.000 0.784 249 G HN 0.329 nan 8.290 nan 0.000 0.538 250 R N 0.473 120.976 120.500 0.005 0.000 2.091 250 R HA -0.026 4.314 4.340 -0.001 0.000 0.238 250 R C 2.280 178.588 176.300 0.014 0.000 1.136 250 R CA 1.418 57.522 56.100 0.007 0.000 0.959 250 R CB -0.305 29.997 30.300 0.004 0.000 0.856 250 R HN 0.288 nan 8.270 nan 0.000 0.437 251 N N -0.029 118.684 118.700 0.020 0.000 2.443 251 N HA -0.126 4.614 4.740 -0.001 0.000 0.184 251 N C 0.679 176.208 175.510 0.031 0.000 1.037 251 N CA 0.919 53.986 53.050 0.030 0.000 0.896 251 N CB 0.175 38.687 38.487 0.042 0.000 0.959 251 N HN 0.255 nan 8.380 nan 0.000 0.442 252 L N 0.601 121.839 121.223 0.025 0.000 2.857 252 L HA 0.196 4.536 4.340 -0.001 0.000 0.249 252 L C -0.406 176.472 176.870 0.013 0.000 1.172 252 L CA -0.129 54.725 54.840 0.023 0.000 0.980 252 L CB 0.090 42.163 42.059 0.023 0.000 1.299 252 L HN 0.020 nan 8.230 nan 0.000 0.535 253 N N -0.652 118.055 118.700 0.011 0.000 2.708 253 N HA -0.177 4.563 4.740 -0.001 0.000 0.255 253 N C -0.466 175.044 175.510 0.000 0.000 1.046 253 N CA 0.452 53.506 53.050 0.007 0.000 0.715 253 N CB -2.019 36.472 38.487 0.008 0.000 0.895 253 N HN 0.231 nan 8.380 nan 0.000 0.545 254 c N 0.793 119.392 118.600 -0.002 0.000 2.358 254 c HA 0.339 4.908 4.570 -0.001 0.000 0.354 254 c C 1.219 175.306 174.090 -0.004 0.000 1.183 254 c CA -0.904 55.420 56.329 -0.008 0.000 2.150 254 c CB 1.467 43.970 42.510 -0.010 0.000 2.361 254 c HN 0.462 nan 8.230 nan 0.000 0.535 255 N N 1.846 120.544 118.700 -0.003 0.000 2.431 255 N HA 0.148 4.888 4.740 -0.001 0.000 0.265 255 N C -0.047 175.467 175.510 0.007 0.000 1.184 255 N CA 0.197 53.251 53.050 0.006 0.000 0.943 255 N CB 0.392 38.889 38.487 0.015 0.000 1.080 255 N HN 0.601 nan 8.380 nan 0.000 0.477 256 L N 2.726 123.952 121.223 0.004 0.000 2.791 256 L HA 0.234 4.574 4.340 -0.001 0.000 0.239 256 L C 1.145 178.018 176.870 0.004 0.000 1.203 256 L CA -0.319 54.522 54.840 0.002 0.000 1.002 256 L CB -0.165 41.893 42.059 -0.002 0.000 1.295 256 L HN 0.348 nan 8.230 nan 0.000 0.504 257 N N 0.684 119.389 118.700 0.009 0.000 2.396 257 N HA -0.050 4.689 4.740 -0.001 0.000 0.180 257 N C 0.665 176.181 175.510 0.009 0.000 1.028 257 N CA 0.725 53.780 53.050 0.009 0.000 0.893 257 N CB 0.319 38.813 38.487 0.012 0.000 0.967 257 N HN 0.473 nan 8.380 nan 0.000 0.440 258 S N -1.435 114.271 115.700 0.011 0.000 2.537 258 S HA 0.302 4.772 4.470 -0.001 0.000 0.271 258 S C -0.136 174.469 174.600 0.008 0.000 1.148 258 S CA -0.849 57.356 58.200 0.009 0.000 0.868 258 S CB 1.795 65.003 63.200 0.012 0.000 1.115 258 S HN -0.254 nan 8.310 nan 0.000 0.461 259 D N 1.556 121.956 120.400 0.001 0.000 2.149 259 D HA -0.124 4.516 4.640 -0.001 0.000 0.194 259 D C 1.531 177.835 176.300 0.006 0.000 1.001 259 D CA 2.156 56.152 54.000 -0.007 0.000 0.849 259 D CB -0.141 40.651 40.800 -0.013 0.000 0.939 259 D HN 0.764 nan 8.370 nan 0.000 0.449 260 E N 0.735 120.945 120.200 0.017 0.000 2.051 260 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 260 E C 2.074 178.716 176.600 0.071 0.000 0.991 260 E CA 0.835 57.256 56.400 0.035 0.000 0.799 260 E CB -0.161 29.551 29.700 0.021 0.000 0.748 260 E HN 0.297 nan 8.360 nan 0.000 0.449 261 E N 0.385 120.622 120.200 0.062 0.000 2.038 261 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 261 E C 2.159 178.803 176.600 0.073 0.000 1.000 261 E CA 0.850 57.300 56.400 0.083 0.000 0.803 261 E CB -0.390 29.339 29.700 0.049 0.000 0.750 261 E HN 0.155 nan 8.360 nan 0.000 0.448 262 L N 1.329 122.572 121.223 0.034 0.000 1.989 262 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 262 L C 2.317 179.194 176.870 0.012 0.000 1.071 262 L CA 1.559 56.402 54.840 0.005 0.000 0.749 262 L CB -0.702 41.342 42.059 -0.025 0.000 0.890 262 L HN 0.072 nan 8.230 nan 0.000 0.431 263 I N -1.076 119.507 120.570 0.022 0.000 2.208 263 I HA -0.370 3.800 4.170 -0.001 0.000 0.245 263 I C 2.584 178.815 176.117 0.189 0.000 1.097 263 I CA 1.739 63.075 61.300 0.059 0.000 1.363 263 I CB -0.679 37.359 38.000 0.064 0.000 1.051 263 I HN 0.499 nan 8.210 nan 0.000 0.413 264 H N 0.149 119.256 119.070 0.060 0.000 2.319 264 H HA -0.292 4.264 4.556 -0.001 0.000 0.299 264 H C 2.571 177.941 175.328 0.069 0.000 1.092 264 H CA 1.989 58.076 56.048 0.064 0.000 1.302 264 H CB 0.073 29.859 29.762 0.041 0.000 1.373 264 H HN 0.530 nan 8.280 nan 0.000 0.497 265 c N 0.948 119.518 118.600 -0.050 0.000 2.413 265 c HA -0.157 4.413 4.570 -0.001 0.000 0.278 265 c C 2.893 176.976 174.090 -0.011 0.000 1.224 265 c CA 1.217 57.475 56.329 -0.119 0.000 1.732 265 c CB -1.358 41.116 42.510 -0.060 0.000 2.050 265 c HN 0.618 nan 8.230 nan 0.000 0.463 266 L N 0.377 121.641 121.223 0.068 0.000 2.187 266 L HA -0.149 4.190 4.340 -0.001 0.000 0.213 266 L C 2.969 179.982 176.870 0.238 0.000 1.100 266 L CA 1.568 56.503 54.840 0.159 0.000 0.765 266 L CB -0.726 41.434 42.059 0.168 0.000 0.904 266 L HN 0.409 nan 8.230 nan 0.000 0.437 267 R N -0.162 120.478 120.500 0.234 0.000 2.153 267 R HA -0.077 4.262 4.340 -0.001 0.000 0.218 267 R C 1.854 178.204 176.300 0.083 0.000 1.072 267 R CA 0.715 56.906 56.100 0.152 0.000 0.990 267 R CB -0.038 30.379 30.300 0.196 0.000 0.889 267 R HN 0.477 nan 8.270 nan 0.000 0.452 268 E N 0.357 120.586 120.200 0.048 0.000 2.371 268 E HA -0.016 4.334 4.350 -0.001 0.000 0.194 268 E C -0.027 176.587 176.600 0.022 0.000 1.012 268 E CA 0.418 56.825 56.400 0.011 0.000 0.860 268 E CB 0.362 30.014 29.700 -0.080 0.000 0.811 268 E HN 0.011 nan 8.360 nan 0.000 0.502 269 K N 1.873 122.296 120.400 0.039 0.000 2.270 269 K HA 0.167 4.486 4.320 -0.001 0.000 0.276 269 K C 0.014 176.660 176.600 0.076 0.000 1.023 269 K CA 0.061 56.379 56.287 0.052 0.000 0.955 269 K CB 0.732 33.267 32.500 0.059 0.000 0.975 269 K HN -0.063 nan 8.250 nan 0.000 0.471 270 K N 2.704 123.150 120.400 0.076 0.000 2.319 270 K HA 0.009 4.329 4.320 -0.001 0.000 0.265 270 K C -1.517 175.177 176.600 0.158 0.000 1.000 270 K CA -1.402 54.939 56.287 0.090 0.000 0.943 270 K CB 0.177 32.719 32.500 0.069 0.000 0.950 270 K HN 0.189 nan 8.250 nan 0.000 0.485 271 P HA -0.247 nan 4.420 nan 0.000 0.215 271 P C 1.074 178.612 177.300 0.396 0.000 1.163 271 P CA 1.300 64.639 63.100 0.398 0.000 0.894 271 P CB 0.233 31.980 31.700 0.079 0.000 0.791 272 Q N 0.149 120.080 119.800 0.218 0.000 2.234 272 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 272 Q C 1.911 178.015 176.000 0.173 0.000 0.980 272 Q CA 1.591 57.507 55.803 0.188 0.000 0.869 272 Q CB -0.893 27.916 28.738 0.118 0.000 0.912 272 Q HN 0.364 nan 8.270 nan 0.000 0.436 273 E N -0.644 119.644 120.200 0.147 0.000 2.110 273 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 273 E C 1.782 178.450 176.600 0.113 0.000 0.988 273 E CA 1.258 57.725 56.400 0.113 0.000 0.804 273 E CB -0.082 29.671 29.700 0.088 0.000 0.745 273 E HN 0.350 nan 8.360 nan 0.000 0.458 274 L N 0.319 121.610 121.223 0.113 0.000 2.162 274 L HA -0.066 4.273 4.340 -0.001 0.000 0.205 274 L C 2.303 179.240 176.870 0.112 0.000 1.086 274 L CA 0.761 55.629 54.840 0.046 0.000 0.778 274 L CB -0.178 41.794 42.059 -0.145 0.000 0.928 274 L HN 0.050 nan 8.230 nan 0.000 0.446 275 I N -0.286 120.412 120.570 0.212 0.000 2.493 275 I HA -0.232 3.938 4.170 -0.001 0.000 0.254 275 I C 1.822 178.138 176.117 0.332 0.000 1.160 275 I CA 0.873 62.357 61.300 0.307 0.000 1.445 275 I CB -0.360 37.871 38.000 0.384 0.000 1.086 275 I HN 0.244 nan 8.210 nan 0.000 0.433 276 D N 0.455 121.009 120.400 0.256 0.000 2.117 276 D HA -0.111 4.528 4.640 -0.001 0.000 0.198 276 D C 2.129 178.569 176.300 0.234 0.000 0.982 276 D CA 1.582 55.731 54.000 0.248 0.000 0.828 276 D CB -0.002 40.901 40.800 0.170 0.000 0.967 276 D HN 0.357 nan 8.370 nan 0.000 0.464 277 V N -1.530 118.491 119.914 0.177 0.000 3.621 277 V HA 0.152 4.271 4.120 -0.001 0.000 0.285 277 V C 1.835 178.003 176.094 0.124 0.000 1.346 277 V CA 0.332 62.718 62.300 0.144 0.000 1.104 277 V CB 0.116 31.999 31.823 0.100 0.000 0.913 277 V HN 0.011 nan 8.190 nan 0.000 0.432 278 E N 0.748 121.020 120.200 0.119 0.000 2.147 278 E HA -0.293 4.057 4.350 -0.001 0.000 0.199 278 E C 1.578 178.037 176.600 -0.235 0.000 1.005 278 E CA 2.579 58.978 56.400 -0.002 0.000 0.810 278 E CB -0.269 29.394 29.700 -0.062 0.000 0.736 278 E HN 0.818 nan 8.360 nan 0.000 0.460 279 W N 0.748 122.017 121.300 -0.052 0.000 2.800 279 W HA 0.066 4.725 4.660 -0.001 0.000 0.249 279 W C 1.439 177.897 176.519 -0.102 0.000 1.294 279 W CA -0.000 57.266 57.345 -0.131 0.000 1.402 279 W CB 0.117 29.469 29.460 -0.181 0.000 1.126 279 W HN 0.067 nan 8.180 nan 0.000 0.652 280 N N 0.393 119.158 118.700 0.108 0.000 2.521 280 N HA -0.070 4.670 4.740 -0.001 0.000 0.188 280 N C 1.537 177.038 175.510 -0.015 0.000 1.146 280 N CA 1.138 54.221 53.050 0.055 0.000 0.893 280 N CB -0.322 38.199 38.487 0.058 0.000 0.975 280 N HN 0.275 nan 8.380 nan 0.000 0.451 281 V N -2.743 117.121 119.914 -0.084 0.000 3.660 281 V HA 0.268 4.388 4.120 -0.001 0.000 0.276 281 V C 0.806 176.780 176.094 -0.200 0.000 1.317 281 V CA -0.156 62.054 62.300 -0.149 0.000 1.097 281 V CB -0.381 31.314 31.823 -0.214 0.000 0.863 281 V HN -0.035 nan 8.190 nan 0.000 0.438 282 L N 2.343 123.461 121.223 -0.175 0.000 2.485 282 L HA 0.194 4.534 4.340 -0.001 0.000 0.275 282 L C -0.459 176.276 176.870 -0.226 0.000 1.207 282 L CA -0.768 53.958 54.840 -0.189 0.000 0.855 282 L CB 0.503 42.510 42.059 -0.087 0.000 1.114 282 L HN 0.162 nan 8.230 nan 0.000 0.485 283 P HA 0.001 nan 4.420 nan 0.000 0.231 283 P C -0.323 176.570 177.300 -0.678 0.000 1.168 283 P CA 0.995 63.713 63.100 -0.638 0.000 0.779 283 P CB 0.312 31.424 31.700 -0.980 0.000 0.844 284 F N -0.596 119.345 119.950 -0.014 0.000 2.650 284 F HA 0.402 4.928 4.527 -0.001 0.000 0.320 284 F C 0.167 175.964 175.800 -0.004 0.000 1.091 284 F CA -2.018 55.979 58.000 -0.004 0.000 0.962 284 F CB 0.012 39.016 39.000 0.006 0.000 1.363 284 F HN -0.378 nan 8.300 nan 0.000 0.482 285 D N 1.093 121.632 120.400 0.232 0.000 2.336 285 D HA 0.469 5.108 4.640 -0.001 0.000 0.249 285 D C -0.744 175.621 176.300 0.108 0.000 1.213 285 D CA 0.311 54.379 54.000 0.114 0.000 0.870 285 D CB 0.440 41.284 40.800 0.074 0.000 1.076 285 D HN 0.620 nan 8.370 nan 0.000 0.483 286 S N 2.544 118.294 115.700 0.083 0.000 2.656 286 S HA 0.676 5.146 4.470 -0.001 0.000 0.273 286 S C -1.029 173.586 174.600 0.024 0.000 1.168 286 S CA -0.961 57.278 58.200 0.065 0.000 0.817 286 S CB 1.036 64.307 63.200 0.118 0.000 1.146 286 S HN 0.233 nan 8.310 nan 0.000 0.475 287 I N 0.762 121.345 120.570 0.022 0.000 2.646 287 I HA 0.706 4.875 4.170 -0.001 0.000 0.299 287 I C -0.450 175.680 176.117 0.021 0.000 1.036 287 I CA -1.131 60.179 61.300 0.018 0.000 1.074 287 I CB 1.113 39.140 38.000 0.046 0.000 1.258 287 I HN 0.842 nan 8.210 nan 0.000 0.430 288 F N 5.034 124.819 119.950 -0.273 0.000 3.071 288 F HA -0.241 4.286 4.527 -0.001 0.000 0.295 288 F C -0.219 175.102 175.800 -0.798 0.000 0.919 288 F CA 0.428 58.061 58.000 -0.611 0.000 1.050 288 F CB -0.613 38.025 39.000 -0.605 0.000 1.040 288 F HN 0.446 nan 8.300 nan 0.000 0.692 289 R N 0.447 120.456 120.500 -0.819 0.000 2.651 289 R HA 0.677 5.016 4.340 -0.001 0.000 0.278 289 R C -1.072 174.678 176.300 -0.916 0.000 1.010 289 R CA -0.595 55.096 56.100 -0.682 0.000 0.896 289 R CB 1.451 31.647 30.300 -0.174 0.000 1.211 289 R HN 0.010 nan 8.270 nan 0.000 0.456 290 F N -0.810 119.224 119.950 0.140 0.000 2.576 290 F HA 0.376 4.903 4.527 -0.001 0.000 0.313 290 F C 1.498 177.161 175.800 -0.228 0.000 1.078 290 F CA -0.841 57.133 58.000 -0.042 0.000 0.921 290 F CB 1.767 40.860 39.000 0.155 0.000 1.232 290 F HN 0.346 nan 8.300 nan 0.000 0.459 291 S N 0.629 116.096 115.700 -0.388 0.000 2.363 291 S HA -0.119 4.351 4.470 -0.001 0.000 0.218 291 S C 0.186 174.374 174.600 -0.687 0.000 1.035 291 S CA 1.309 59.087 58.200 -0.703 0.000 1.043 291 S CB -0.336 62.167 63.200 -1.163 0.000 0.986 291 S HN 0.365 nan 8.310 nan 0.000 0.423 292 F N 2.202 122.132 119.950 -0.033 0.000 2.350 292 F HA 0.541 5.068 4.527 -0.001 0.000 0.365 292 F C 0.180 175.964 175.800 -0.026 0.000 1.122 292 F CA -0.985 57.035 58.000 0.033 0.000 1.139 292 F CB 0.465 39.537 39.000 0.120 0.000 1.220 292 F HN -0.030 nan 8.300 nan 0.000 0.499 293 V N 0.680 120.544 119.914 -0.083 0.000 3.158 293 V HA 0.756 4.875 4.120 -0.001 0.000 0.311 293 V C -2.824 172.921 176.094 -0.581 0.000 1.181 293 V CA -3.424 58.512 62.300 -0.607 0.000 1.054 293 V CB 1.894 33.495 31.823 -0.370 0.000 1.085 293 V HN 0.241 nan 8.190 nan 0.000 0.446 294 P HA 0.193 nan 4.420 nan 0.000 0.265 294 P C -0.498 176.662 177.300 -0.233 0.000 1.187 294 P CA 0.296 63.158 63.100 -0.397 0.000 0.766 294 P CB 0.293 31.694 31.700 -0.498 0.000 0.820 295 V N 2.328 122.216 119.914 -0.042 0.000 2.547 295 V HA 0.346 4.466 4.120 -0.001 0.000 0.299 295 V C 0.474 176.567 176.094 -0.001 0.000 1.040 295 V CA -0.816 61.450 62.300 -0.056 0.000 0.913 295 V CB 1.464 33.288 31.823 0.001 0.000 0.992 295 V HN 0.278 nan 8.190 nan 0.000 0.449 296 I N 4.821 125.318 120.570 -0.121 0.000 2.270 296 I HA 0.113 4.283 4.170 -0.001 0.000 0.300 296 I C 1.162 177.274 176.117 -0.007 0.000 1.186 296 I CA 0.085 61.345 61.300 -0.066 0.000 1.431 296 I CB -0.328 37.570 38.000 -0.171 0.000 1.485 296 I HN 0.925 nan 8.210 nan 0.000 0.650 297 D N 3.114 123.583 120.400 0.115 0.000 2.234 297 D HA -0.036 4.604 4.640 -0.001 0.000 0.205 297 D C 1.489 177.825 176.300 0.061 0.000 0.962 297 D CA 1.195 55.187 54.000 -0.013 0.000 0.855 297 D CB 0.331 41.235 40.800 0.174 0.000 0.951 297 D HN 0.592 nan 8.370 nan 0.000 0.500 298 G N 0.143 109.036 108.800 0.153 0.000 2.213 298 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.226 298 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.226 298 G C 0.904 175.889 174.900 0.142 0.000 0.992 298 G CA 0.441 45.624 45.100 0.137 0.000 0.632 298 G HN 0.444 nan 8.290 nan 0.000 0.511 299 E N -0.923 119.377 120.200 0.167 0.000 2.118 299 E HA 0.500 4.850 4.350 -0.001 0.000 0.203 299 E C 1.781 178.421 176.600 0.067 0.000 0.958 299 E CA 0.067 56.536 56.400 0.115 0.000 0.957 299 E CB -0.158 29.625 29.700 0.138 0.000 1.205 299 E HN 0.171 nan 8.360 nan 0.000 0.494 300 F N 0.477 120.364 119.950 -0.106 0.000 2.154 300 F HA -0.101 4.426 4.527 -0.001 0.000 0.301 300 F C 0.104 175.589 175.800 -0.525 0.000 1.087 300 F CA 1.224 59.011 58.000 -0.355 0.000 1.274 300 F CB 0.203 38.893 39.000 -0.517 0.000 1.009 300 F HN -0.057 nan 8.300 nan 0.000 0.485 301 F N 1.355 121.478 119.950 0.289 0.000 2.359 301 F HA 0.341 4.868 4.527 -0.001 0.000 0.369 301 F C -1.436 174.418 175.800 0.091 0.000 1.084 301 F CA -2.940 55.164 58.000 0.174 0.000 1.096 301 F CB 0.401 39.482 39.000 0.134 0.000 1.335 301 F HN -0.245 nan 8.300 nan 0.000 0.457 302 P HA -0.157 nan 4.420 nan 0.000 0.216 302 P C 0.516 177.884 177.300 0.112 0.000 1.157 302 P CA 1.900 65.067 63.100 0.111 0.000 0.880 302 P CB 0.138 31.881 31.700 0.070 0.000 0.791 303 T N -5.255 109.376 114.554 0.127 0.000 2.618 303 T HA 0.417 4.767 4.350 -0.001 0.000 0.286 303 T C -0.200 174.545 174.700 0.076 0.000 1.027 303 T CA -0.526 61.624 62.100 0.084 0.000 1.063 303 T CB 0.790 69.693 68.868 0.059 0.000 1.440 303 T HN 0.092 nan 8.240 nan 0.000 0.505 304 S N 0.040 115.759 115.700 0.031 0.000 2.568 304 S HA 0.184 4.654 4.470 -0.001 0.000 0.282 304 S C 1.421 176.027 174.600 0.010 0.000 1.338 304 S CA -0.757 57.438 58.200 -0.008 0.000 1.045 304 S CB -0.406 62.785 63.200 -0.015 0.000 0.873 304 S HN 0.644 nan 8.310 nan 0.000 0.516 305 L N 0.866 122.061 121.223 -0.047 0.000 2.131 305 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 305 L C 2.856 179.756 176.870 0.050 0.000 1.092 305 L CA 1.692 56.524 54.840 -0.012 0.000 0.759 305 L CB -0.735 41.253 42.059 -0.118 0.000 0.903 305 L HN 0.772 nan 8.230 nan 0.000 0.435 306 E N 0.805 121.027 120.200 0.036 0.000 2.047 306 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 306 E C 2.291 178.947 176.600 0.094 0.000 0.987 306 E CA 1.767 58.221 56.400 0.089 0.000 0.799 306 E CB -0.125 29.613 29.700 0.062 0.000 0.752 306 E HN 0.463 nan 8.360 nan 0.000 0.449 307 S N 0.003 115.742 115.700 0.065 0.000 2.368 307 S HA -0.222 4.247 4.470 -0.001 0.000 0.225 307 S C 2.178 176.822 174.600 0.073 0.000 1.030 307 S CA 1.601 59.838 58.200 0.061 0.000 0.999 307 S CB -0.508 62.718 63.200 0.043 0.000 0.844 307 S HN 0.269 nan 8.310 nan 0.000 0.459 308 M N 1.096 120.754 119.600 0.098 0.000 2.086 308 M HA 0.004 4.484 4.480 -0.001 0.000 0.261 308 M C 2.341 178.777 176.300 0.227 0.000 1.067 308 M CA 1.465 56.851 55.300 0.144 0.000 1.116 308 M CB -0.782 31.934 32.600 0.193 0.000 1.348 308 M HN 0.285 nan 8.290 nan 0.000 0.407 309 L N -0.036 121.302 121.223 0.192 0.000 2.131 309 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 309 L C 2.249 179.235 176.870 0.195 0.000 1.092 309 L CA 0.811 55.750 54.840 0.164 0.000 0.759 309 L CB -0.753 41.329 42.059 0.038 0.000 0.903 309 L HN 0.381 nan 8.230 nan 0.000 0.435 310 N N -0.230 118.547 118.700 0.129 0.000 2.135 310 N HA -0.121 4.619 4.740 -0.001 0.000 0.186 310 N C 1.921 177.477 175.510 0.078 0.000 1.027 310 N CA 1.702 54.827 53.050 0.124 0.000 0.849 310 N CB -0.101 38.447 38.487 0.102 0.000 1.002 310 N HN 0.290 nan 8.380 nan 0.000 0.425 311 S N -0.854 114.833 115.700 -0.023 0.000 2.650 311 S HA 0.226 4.696 4.470 -0.001 0.000 0.219 311 S C 1.361 175.652 174.600 -0.515 0.000 0.960 311 S CA 0.511 58.635 58.200 -0.128 0.000 0.925 311 S CB -0.021 63.135 63.200 -0.075 0.000 0.775 311 S HN 0.428 nan 8.310 nan 0.000 0.525 312 G N 2.049 110.311 108.800 -0.897 0.000 2.168 312 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.263 312 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.263 312 G C 0.146 174.220 174.900 -1.376 0.000 0.977 312 G CA 0.150 44.066 45.100 -1.974 0.000 0.659 312 G HN 0.655 nan 8.290 nan 0.000 0.533 313 N N 0.771 119.141 118.700 -0.551 0.000 2.670 313 N HA 0.427 5.167 4.740 -0.001 0.000 0.296 313 N C -0.129 175.356 175.510 -0.042 0.000 1.216 313 N CA 0.564 53.456 53.050 -0.263 0.000 1.123 313 N CB -1.240 37.209 38.487 -0.064 0.000 1.459 313 N HN 0.899 nan 8.380 nan 0.000 0.509 314 F N -1.097 118.792 119.950 -0.102 0.000 2.793 314 F HA 0.313 4.840 4.527 -0.001 0.000 0.316 314 F C -0.545 175.269 175.800 0.024 0.000 1.147 314 F CA -1.347 56.662 58.000 0.016 0.000 0.930 314 F CB 0.497 39.562 39.000 0.108 0.000 1.277 314 F HN -0.152 nan 8.300 nan 0.000 0.443 315 K N 2.889 123.513 120.400 0.375 0.000 2.402 315 K HA 0.077 4.397 4.320 -0.001 0.000 0.279 315 K C -0.759 176.071 176.600 0.383 0.000 1.082 315 K CA -0.046 56.399 56.287 0.263 0.000 1.080 315 K CB 0.359 33.003 32.500 0.240 0.000 0.899 315 K HN 0.659 nan 8.250 nan 0.000 0.469 316 K N 3.581 124.062 120.400 0.135 0.000 2.248 316 K HA 0.147 4.467 4.320 -0.001 0.000 0.281 316 K C 0.236 176.944 176.600 0.180 0.000 1.054 316 K CA -0.343 56.007 56.287 0.106 0.000 0.903 316 K CB 1.646 34.113 32.500 -0.056 0.000 1.077 316 K HN 0.677 nan 8.250 nan 0.000 0.474 317 T N 1.391 116.148 114.554 0.339 0.000 2.644 317 T HA 0.150 4.500 4.350 -0.001 0.000 0.288 317 T C -1.441 173.471 174.700 0.352 0.000 1.332 317 T CA -0.483 61.778 62.100 0.268 0.000 1.077 317 T CB 0.817 69.823 68.868 0.230 0.000 1.799 317 T HN 0.476 nan 8.240 nan 0.000 0.451 318 Q N 0.982 120.958 119.800 0.293 0.000 2.245 318 Q HA 0.755 5.094 4.340 -0.001 0.000 0.256 318 Q C -0.548 175.737 176.000 0.475 0.000 0.942 318 Q CA -0.469 55.552 55.803 0.364 0.000 0.896 318 Q CB 1.556 30.457 28.738 0.271 0.000 1.272 318 Q HN 0.670 nan 8.270 nan 0.000 0.442 319 I N -1.005 119.798 120.570 0.388 0.000 2.619 319 I HA 0.652 4.821 4.170 -0.001 0.000 0.292 319 I C -1.511 174.563 176.117 -0.071 0.000 1.100 319 I CA -1.287 60.106 61.300 0.155 0.000 1.043 319 I CB 1.741 39.662 38.000 -0.132 0.000 1.239 319 I HN 0.544 nan 8.210 nan 0.000 0.420 320 L N 7.796 128.741 121.223 -0.463 0.000 2.343 320 L HA 0.774 5.113 4.340 -0.001 0.000 0.278 320 L C -1.240 175.453 176.870 -0.295 0.000 0.996 320 L CA -0.508 53.942 54.840 -0.650 0.000 0.831 320 L CB 1.405 42.481 42.059 -1.638 0.000 1.232 320 L HN 0.838 nan 8.230 nan 0.000 0.413 321 L N 2.492 123.683 121.223 -0.054 0.000 2.491 321 L HA 1.122 5.462 4.340 -0.001 0.000 0.254 321 L C -0.693 176.042 176.870 -0.226 0.000 1.048 321 L CA -0.497 54.339 54.840 -0.006 0.000 0.855 321 L CB 1.991 44.020 42.059 -0.050 0.000 1.466 321 L HN 0.641 nan 8.230 nan 0.000 0.409 322 G N -0.094 108.380 108.800 -0.543 0.000 2.488 322 G HA2 0.613 4.573 3.960 -0.001 0.000 0.301 322 G HA3 0.613 4.573 3.960 -0.001 0.000 0.301 322 G C -1.500 173.109 174.900 -0.485 0.000 1.339 322 G CA -0.002 44.414 45.100 -1.141 0.000 0.803 322 G HN 1.314 nan 8.290 nan 0.000 0.482 323 V N -2.470 117.275 119.914 -0.280 0.000 3.130 323 V HA 0.817 4.936 4.120 -0.001 0.000 0.310 323 V C -0.944 175.200 176.094 0.084 0.000 1.158 323 V CA -1.454 60.870 62.300 0.041 0.000 1.029 323 V CB 1.891 33.774 31.823 0.100 0.000 1.057 323 V HN 0.640 nan 8.190 nan 0.000 0.436 324 N N 0.809 119.595 118.700 0.143 0.000 2.482 324 N HA 0.423 5.162 4.740 -0.001 0.000 0.279 324 N C 0.613 176.059 175.510 -0.106 0.000 1.182 324 N CA -0.476 52.624 53.050 0.084 0.000 0.969 324 N CB 1.777 40.434 38.487 0.284 0.000 1.201 324 N HN 0.939 nan 8.380 nan 0.000 0.523 325 K N 0.008 120.248 120.400 -0.266 0.000 2.057 325 K HA -0.051 4.269 4.320 -0.001 0.000 0.207 325 K C -0.595 176.091 176.600 0.142 0.000 1.049 325 K CA 1.264 57.509 56.287 -0.070 0.000 0.931 325 K CB 0.211 32.694 32.500 -0.028 0.000 0.714 325 K HN 0.499 nan 8.250 nan 0.000 0.440 326 D N 1.389 121.864 120.400 0.126 0.000 2.683 326 D HA 0.033 4.672 4.640 -0.001 0.000 0.309 326 D C 0.169 176.592 176.300 0.205 0.000 1.238 326 D CA -0.074 54.018 54.000 0.154 0.000 0.936 326 D CB 1.270 42.126 40.800 0.093 0.000 1.001 326 D HN 0.200 nan 8.370 nan 0.000 0.505 327 E N 0.624 120.976 120.200 0.253 0.000 2.110 327 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 327 E C 2.055 178.874 176.600 0.365 0.000 0.988 327 E CA 0.684 57.292 56.400 0.346 0.000 0.804 327 E CB 0.021 29.893 29.700 0.286 0.000 0.745 327 E HN 0.431 nan 8.360 nan 0.000 0.458 328 G N 1.568 110.532 108.800 0.273 0.000 2.408 328 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 328 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 328 G C 1.675 176.733 174.900 0.264 0.000 1.150 328 G CA 1.289 46.568 45.100 0.299 0.000 0.776 328 G HN 0.391 nan 8.290 nan 0.000 0.542 329 S N 0.459 116.251 115.700 0.154 0.000 2.393 329 S HA -0.304 4.165 4.470 -0.001 0.000 0.234 329 S C 2.121 176.651 174.600 -0.116 0.000 1.064 329 S CA 1.897 60.106 58.200 0.014 0.000 1.088 329 S CB -0.616 62.497 63.200 -0.145 0.000 0.939 329 S HN 0.214 nan 8.310 nan 0.000 0.448 330 F N 1.321 121.082 119.950 -0.314 0.000 2.171 330 F HA 0.127 4.653 4.527 -0.001 0.000 0.300 330 F C 1.689 177.059 175.800 -0.717 0.000 1.090 330 F CA 0.621 58.233 58.000 -0.645 0.000 1.293 330 F CB -0.656 37.804 39.000 -0.899 0.000 1.013 330 F HN 0.280 nan 8.300 nan 0.000 0.486 331 F N -1.068 118.857 119.950 -0.041 0.000 2.416 331 F HA 0.010 4.537 4.527 -0.001 0.000 0.296 331 F C 2.096 177.846 175.800 -0.084 0.000 1.099 331 F CA 0.531 58.440 58.000 -0.151 0.000 1.427 331 F CB -0.815 37.977 39.000 -0.347 0.000 1.079 331 F HN -0.155 nan 8.300 nan 0.000 0.536 332 L N -0.596 120.603 121.223 -0.039 0.000 2.095 332 L HA -0.122 4.218 4.340 -0.001 0.000 0.204 332 L C 2.374 179.098 176.870 -0.243 0.000 1.080 332 L CA 0.548 55.160 54.840 -0.380 0.000 0.759 332 L CB -0.569 40.885 42.059 -1.008 0.000 0.914 332 L HN 0.144 nan 8.230 nan 0.000 0.439 333 L N -1.414 119.843 121.223 0.057 0.000 2.187 333 L HA -0.238 4.102 4.340 -0.001 0.000 0.213 333 L C 2.029 179.101 176.870 0.336 0.000 1.100 333 L CA 1.901 56.956 54.840 0.357 0.000 0.765 333 L CB -0.387 41.876 42.059 0.340 0.000 0.904 333 L HN 0.142 nan 8.230 nan 0.000 0.437 334 Y N -1.338 119.011 120.300 0.081 0.000 2.509 334 Y HA 0.330 4.879 4.550 -0.001 0.000 0.270 334 Y C 2.167 178.068 175.900 0.002 0.000 1.103 334 Y CA 0.535 58.671 58.100 0.059 0.000 1.278 334 Y CB 0.377 38.837 38.460 0.001 0.000 1.087 334 Y HN 0.191 nan 8.280 nan 0.000 0.542 335 G N -1.525 107.358 108.800 0.137 0.000 3.581 335 G HA2 0.423 4.383 3.960 -0.001 0.000 0.248 335 G HA3 0.423 4.383 3.960 -0.001 0.000 0.248 335 G C -0.153 174.792 174.900 0.076 0.000 1.037 335 G CA 0.347 45.488 45.100 0.068 0.000 0.902 335 G HN 0.222 nan 8.290 nan 0.000 0.512 336 A N 1.888 124.775 122.820 0.111 0.000 2.292 336 A HA 0.767 5.087 4.320 -0.001 0.000 0.319 336 A C -2.499 175.282 177.584 0.328 0.000 1.206 336 A CA -1.559 50.596 52.037 0.197 0.000 0.835 336 A CB 0.997 20.107 19.000 0.183 0.000 1.164 336 A HN 0.058 nan 8.150 nan 0.000 0.505 337 P HA 0.280 nan 4.420 nan 0.000 0.271 337 P C 0.808 178.132 177.300 0.040 0.000 1.226 337 P CA 1.322 64.486 63.100 0.107 0.000 0.765 337 P CB 1.094 32.825 31.700 0.051 0.000 0.835 338 G N 2.272 111.040 108.800 -0.053 0.000 2.284 338 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.201 338 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.201 338 G C -0.348 174.267 174.900 -0.476 0.000 0.998 338 G CA -0.596 44.330 45.100 -0.290 0.000 0.651 338 G HN 0.411 nan 8.290 nan 0.000 0.489 339 F N 2.715 122.594 119.950 -0.119 0.000 2.415 339 F HA 0.661 5.187 4.527 -0.001 0.000 0.348 339 F C 0.681 176.469 175.800 -0.020 0.000 1.119 339 F CA -0.135 57.760 58.000 -0.175 0.000 1.069 339 F CB 2.138 41.092 39.000 -0.076 0.000 1.124 339 F HN 0.178 nan 8.300 nan 0.000 0.472 340 S N 1.914 117.697 115.700 0.138 0.000 2.549 340 S HA 0.357 4.827 4.470 -0.001 0.000 0.280 340 S C 0.428 175.215 174.600 0.311 0.000 1.109 340 S CA -1.216 57.101 58.200 0.195 0.000 0.905 340 S CB 2.235 65.479 63.200 0.074 0.000 1.081 340 S HN 0.717 nan 8.310 nan 0.000 0.477 341 K N 0.229 120.783 120.400 0.256 0.000 2.211 341 K HA -0.076 4.243 4.320 -0.001 0.000 0.203 341 K C -0.165 176.486 176.600 0.085 0.000 1.050 341 K CA 1.345 57.711 56.287 0.130 0.000 0.945 341 K CB -0.045 32.240 32.500 -0.358 0.000 0.732 341 K HN 0.585 nan 8.250 nan 0.000 0.451 342 D N 0.204 120.637 120.400 0.054 0.000 2.402 342 D HA 0.016 4.656 4.640 -0.001 0.000 0.216 342 D C -0.057 176.272 176.300 0.048 0.000 1.128 342 D CA 0.135 54.146 54.000 0.019 0.000 0.833 342 D CB 0.869 41.650 40.800 -0.031 0.000 0.971 342 D HN 0.104 nan 8.370 nan 0.000 0.503 343 S N -0.719 115.029 115.700 0.080 0.000 2.599 343 S HA 0.273 4.743 4.470 -0.001 0.000 0.287 343 S C 0.647 175.245 174.600 -0.003 0.000 1.105 343 S CA -0.638 57.569 58.200 0.012 0.000 0.899 343 S CB 2.411 65.580 63.200 -0.052 0.000 1.100 343 S HN -0.146 nan 8.310 nan 0.000 0.482 344 E N 1.126 121.298 120.200 -0.047 0.000 2.515 344 E HA 0.014 4.363 4.350 -0.001 0.000 0.201 344 E C -0.159 176.194 176.600 -0.411 0.000 1.071 344 E CA 0.431 56.788 56.400 -0.071 0.000 0.880 344 E CB -0.271 29.410 29.700 -0.032 0.000 0.828 344 E HN 0.725 nan 8.360 nan 0.000 0.540 345 S N 1.011 116.400 115.700 -0.520 0.000 3.491 345 S HA -0.190 4.279 4.470 -0.001 0.000 0.371 345 S C -0.206 174.006 174.600 -0.647 0.000 0.980 345 S CA 0.692 58.442 58.200 -0.751 0.000 1.204 345 S CB -1.029 61.347 63.200 -1.374 0.000 0.915 345 S HN 0.292 nan 8.310 nan 0.000 0.482 346 K N 0.929 121.099 120.400 -0.383 0.000 2.412 346 K HA 0.182 4.501 4.320 -0.001 0.000 0.284 346 K C 0.468 176.880 176.600 -0.313 0.000 1.046 346 K CA -0.022 56.102 56.287 -0.272 0.000 0.999 346 K CB 0.313 32.714 32.500 -0.165 0.000 0.941 346 K HN 0.223 nan 8.250 nan 0.000 0.474 347 I N 2.182 122.577 120.570 -0.292 0.000 2.488 347 I HA 0.097 4.266 4.170 -0.001 0.000 0.299 347 I C 0.917 176.963 176.117 -0.119 0.000 0.984 347 I CA -0.269 60.874 61.300 -0.261 0.000 1.250 347 I CB 1.366 39.219 38.000 -0.244 0.000 1.389 347 I HN 0.613 nan 8.210 nan 0.000 0.488 348 S N 5.677 121.327 115.700 -0.084 0.000 2.638 348 S HA 0.468 4.937 4.470 -0.001 0.000 0.298 348 S C 1.100 175.717 174.600 0.029 0.000 1.111 348 S CA -0.701 57.476 58.200 -0.039 0.000 1.027 348 S CB 2.253 65.429 63.200 -0.041 0.000 1.064 348 S HN 0.480 nan 8.310 nan 0.000 0.525 349 R N 0.986 121.498 120.500 0.019 0.000 2.134 349 R HA -0.168 4.172 4.340 -0.001 0.000 0.248 349 R C 2.090 178.471 176.300 0.135 0.000 1.143 349 R CA 2.277 58.419 56.100 0.069 0.000 0.957 349 R CB -1.240 29.093 30.300 0.055 0.000 0.867 349 R HN 0.923 nan 8.270 nan 0.000 0.441 350 E N 0.826 121.074 120.200 0.081 0.000 2.110 350 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 350 E C 1.270 177.914 176.600 0.073 0.000 0.988 350 E CA 1.649 58.092 56.400 0.072 0.000 0.804 350 E CB -0.219 29.504 29.700 0.038 0.000 0.745 350 E HN 0.189 nan 8.360 nan 0.000 0.458 351 D N -1.124 119.313 120.400 0.061 0.000 2.249 351 D HA -0.057 4.582 4.640 -0.001 0.000 0.205 351 D C 1.475 177.832 176.300 0.095 0.000 0.962 351 D CA 0.400 54.426 54.000 0.043 0.000 0.860 351 D CB -0.279 40.502 40.800 -0.032 0.000 0.955 351 D HN 0.239 nan 8.370 nan 0.000 0.505 352 F N 0.894 120.840 119.950 -0.007 0.000 2.113 352 F HA -0.110 4.417 4.527 -0.001 0.000 0.297 352 F C 2.246 178.067 175.800 0.035 0.000 1.103 352 F CA 1.267 59.278 58.000 0.019 0.000 1.248 352 F CB -0.182 38.812 39.000 -0.011 0.000 0.999 352 F HN -0.177 nan 8.300 nan 0.000 0.475 353 M N -0.567 119.152 119.600 0.198 0.000 2.202 353 M HA -0.226 4.254 4.480 -0.001 0.000 0.262 353 M C 2.246 178.540 176.300 -0.009 0.000 1.063 353 M CA 1.648 57.005 55.300 0.096 0.000 1.097 353 M CB -0.405 32.285 32.600 0.149 0.000 1.382 353 M HN 0.097 nan 8.290 nan 0.000 0.413 354 S N -0.101 115.603 115.700 0.006 0.000 2.395 354 S HA -0.012 4.458 4.470 -0.001 0.000 0.225 354 S C 1.901 176.483 174.600 -0.029 0.000 1.027 354 S CA 1.141 59.340 58.200 -0.001 0.000 0.965 354 S CB -0.415 62.799 63.200 0.024 0.000 0.812 354 S HN 0.675 nan 8.310 nan 0.000 0.482 355 G N 1.259 110.027 108.800 -0.054 0.000 2.414 355 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.215 355 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.215 355 G C 1.473 176.277 174.900 -0.160 0.000 1.188 355 G CA 0.856 45.916 45.100 -0.068 0.000 0.783 355 G HN 0.375 nan 8.290 nan 0.000 0.537 356 V N 1.148 120.884 119.914 -0.298 0.000 2.317 356 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 356 V C 2.763 178.769 176.094 -0.147 0.000 1.065 356 V CA 2.599 64.739 62.300 -0.268 0.000 1.049 356 V CB -0.403 31.241 31.823 -0.298 0.000 0.651 356 V HN 0.467 nan 8.190 nan 0.000 0.450 357 K N -0.038 120.295 120.400 -0.112 0.000 2.057 357 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 357 K C 1.928 178.476 176.600 -0.087 0.000 1.049 357 K CA 1.664 57.897 56.287 -0.091 0.000 0.931 357 K CB -0.378 32.087 32.500 -0.059 0.000 0.714 357 K HN 0.418 nan 8.250 nan 0.000 0.440 358 L N 0.219 121.406 121.223 -0.060 0.000 2.201 358 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 358 L C 2.117 178.967 176.870 -0.033 0.000 1.105 358 L CA 1.065 55.887 54.840 -0.030 0.000 0.775 358 L CB -0.223 41.832 42.059 -0.006 0.000 0.913 358 L HN 0.201 nan 8.230 nan 0.000 0.440 359 S N -0.820 114.839 115.700 -0.069 0.000 2.395 359 S HA -0.018 4.452 4.470 -0.001 0.000 0.225 359 S C 1.021 175.537 174.600 -0.139 0.000 1.027 359 S CA 0.547 58.698 58.200 -0.081 0.000 0.965 359 S CB 0.244 63.373 63.200 -0.117 0.000 0.812 359 S HN 0.157 nan 8.310 nan 0.000 0.482 360 V N 3.142 122.944 119.914 -0.186 0.000 2.435 360 V HA 0.214 4.334 4.120 -0.001 0.000 0.263 360 V C -1.828 174.047 176.094 -0.365 0.000 1.087 360 V CA -1.426 60.674 62.300 -0.332 0.000 1.253 360 V CB 0.413 32.045 31.823 -0.319 0.000 1.462 360 V HN 0.187 nan 8.190 nan 0.000 0.547 361 P HA -0.226 nan 4.420 nan 0.000 0.217 361 P C 1.317 178.286 177.300 -0.551 0.000 1.151 361 P CA 1.810 64.761 63.100 -0.248 0.000 0.849 361 P CB -0.019 31.703 31.700 0.037 0.000 0.787 362 H N -0.894 117.971 119.070 -0.342 0.000 2.547 362 H HA 0.379 4.935 4.556 -0.001 0.000 0.272 362 H C 0.716 175.914 175.328 -0.216 0.000 0.989 362 H CA 0.097 55.962 56.048 -0.306 0.000 1.214 362 H CB -0.927 28.802 29.762 -0.054 0.000 1.389 362 H HN -0.003 nan 8.280 nan 0.000 0.577 363 A N 2.570 125.029 122.820 -0.602 0.000 2.407 363 A HA 0.204 4.523 4.320 -0.001 0.000 0.248 363 A C 0.592 178.032 177.584 -0.239 0.000 1.082 363 A CA -0.228 51.580 52.037 -0.383 0.000 0.785 363 A CB 0.348 19.128 19.000 -0.366 0.000 1.020 363 A HN 0.678 nan 8.150 nan 0.000 0.489 364 N N 0.948 119.554 118.700 -0.157 0.000 2.514 364 N HA 0.156 4.895 4.740 -0.001 0.000 0.299 364 N C 0.031 175.492 175.510 -0.082 0.000 1.292 364 N CA -0.249 52.735 53.050 -0.110 0.000 0.963 364 N CB -0.011 38.430 38.487 -0.077 0.000 1.124 364 N HN 0.442 nan 8.380 nan 0.000 0.580 365 D N -0.762 119.607 120.400 -0.051 0.000 2.084 365 D HA -0.098 4.542 4.640 -0.001 0.000 0.196 365 D C 1.775 178.071 176.300 -0.008 0.000 0.985 365 D CA 0.834 54.819 54.000 -0.026 0.000 0.826 365 D CB -0.398 40.393 40.800 -0.014 0.000 0.978 365 D HN 0.383 nan 8.370 nan 0.000 0.456 366 L N 0.962 122.180 121.223 -0.008 0.000 2.081 366 L HA -0.068 4.272 4.340 -0.001 0.000 0.212 366 L C 2.151 179.034 176.870 0.021 0.000 1.080 366 L CA 2.109 56.956 54.840 0.012 0.000 0.754 366 L CB -0.978 41.081 42.059 -0.000 0.000 0.893 366 L HN 0.076 nan 8.230 nan 0.000 0.433 367 G N -0.700 108.086 108.800 -0.023 0.000 2.421 367 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 367 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 367 G C 1.607 176.514 174.900 0.012 0.000 1.171 367 G CA 1.025 46.104 45.100 -0.034 0.000 0.775 367 G HN 0.444 nan 8.290 nan 0.000 0.543 368 L N 0.408 121.624 121.223 -0.012 0.000 2.083 368 L HA -0.051 4.288 4.340 -0.001 0.000 0.209 368 L C 2.454 179.368 176.870 0.073 0.000 1.083 368 L CA 1.048 55.894 54.840 0.010 0.000 0.752 368 L CB -0.294 41.755 42.059 -0.016 0.000 0.899 368 L HN 0.081 nan 8.230 nan 0.000 0.433 369 D N 0.043 120.492 120.400 0.082 0.000 2.144 369 D HA -0.126 4.513 4.640 -0.001 0.000 0.200 369 D C 2.234 178.623 176.300 0.148 0.000 0.978 369 D CA 1.413 55.484 54.000 0.119 0.000 0.833 369 D CB 0.015 40.873 40.800 0.097 0.000 0.961 369 D HN 0.303 nan 8.370 nan 0.000 0.470 370 A N 0.691 123.612 122.820 0.167 0.000 1.845 370 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 370 A C 2.565 180.241 177.584 0.154 0.000 1.195 370 A CA 1.611 53.799 52.037 0.252 0.000 0.616 370 A CB -0.929 18.324 19.000 0.421 0.000 0.832 370 A HN 0.130 nan 8.150 nan 0.000 0.443 371 V N -0.062 119.971 119.914 0.199 0.000 2.252 371 V HA -0.290 3.830 4.120 -0.001 0.000 0.249 371 V C 2.755 178.923 176.094 0.123 0.000 1.056 371 V CA 2.643 65.005 62.300 0.104 0.000 1.022 371 V CB -1.552 30.353 31.823 0.137 0.000 0.641 371 V HN 0.629 nan 8.190 nan 0.000 0.445 372 T N 0.550 115.208 114.554 0.174 0.000 2.720 372 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 372 T C 1.886 176.706 174.700 0.200 0.000 1.037 372 T CA 1.972 64.242 62.100 0.283 0.000 1.144 372 T CB -0.413 68.640 68.868 0.308 0.000 0.864 372 T HN 0.313 nan 8.240 nan 0.000 0.444 373 L N 1.123 122.445 121.223 0.165 0.000 2.083 373 L HA -0.006 4.334 4.340 -0.001 0.000 0.209 373 L C 2.394 179.246 176.870 -0.029 0.000 1.083 373 L CA 1.756 56.688 54.840 0.155 0.000 0.752 373 L CB -0.820 41.335 42.059 0.161 0.000 0.899 373 L HN 0.105 nan 8.230 nan 0.000 0.433 374 Q N -1.328 118.382 119.800 -0.150 0.000 2.224 374 Q HA -0.145 4.194 4.340 -0.001 0.000 0.203 374 Q C 0.951 176.727 176.000 -0.373 0.000 0.970 374 Q CA 1.718 57.287 55.803 -0.389 0.000 0.865 374 Q CB -0.148 28.060 28.738 -0.883 0.000 0.922 374 Q HN 0.700 nan 8.270 nan 0.000 0.445 375 Y N -1.193 119.033 120.300 -0.123 0.000 2.636 375 Y HA 0.342 4.891 4.550 -0.001 0.000 0.260 375 Y C -0.311 175.513 175.900 -0.127 0.000 1.177 375 Y CA -0.356 57.730 58.100 -0.023 0.000 1.209 375 Y CB 1.108 39.666 38.460 0.164 0.000 1.166 375 Y HN -0.194 nan 8.280 nan 0.000 0.531 376 T N 0.518 114.941 114.554 -0.218 0.000 2.779 376 T HA 0.097 4.446 4.350 -0.001 0.000 0.280 376 T C -0.933 173.384 174.700 -0.637 0.000 0.987 376 T CA -0.666 61.063 62.100 -0.619 0.000 0.966 376 T CB 1.120 69.319 68.868 -1.115 0.000 0.933 376 T HN -0.013 nan 8.240 nan 0.000 0.442 377 D N 2.129 122.221 120.400 -0.513 0.000 2.422 377 D HA 0.112 4.752 4.640 -0.001 0.000 0.227 377 D C -0.037 176.084 176.300 -0.298 0.000 1.190 377 D CA -0.750 53.067 54.000 -0.305 0.000 0.905 377 D CB 0.247 40.934 40.800 -0.188 0.000 1.034 377 D HN 0.629 nan 8.370 nan 0.000 0.507 378 W N 3.222 124.481 121.300 -0.068 0.000 3.316 378 W HA 0.083 4.742 4.660 -0.001 0.000 0.258 378 W C 1.637 178.126 176.519 -0.050 0.000 1.330 378 W CA -0.317 56.992 57.345 -0.061 0.000 1.595 378 W CB 0.154 29.583 29.460 -0.051 0.000 1.088 378 W HN 0.358 nan 8.180 nan 0.000 0.734 379 M N -0.358 119.318 119.600 0.127 0.000 2.306 379 M HA 0.059 4.539 4.480 -0.001 0.000 0.292 379 M C -0.019 176.303 176.300 0.037 0.000 1.018 379 M CA 0.636 55.983 55.300 0.079 0.000 1.007 379 M CB 0.604 33.230 32.600 0.044 0.000 1.510 379 M HN -0.180 nan 8.290 nan 0.000 0.537 380 D N 0.159 120.566 120.400 0.011 0.000 3.964 380 D HA -0.044 4.595 4.640 -0.001 0.000 0.269 380 D C 0.326 176.575 176.300 -0.084 0.000 1.500 380 D CA 0.174 54.159 54.000 -0.025 0.000 0.770 380 D CB 0.124 40.902 40.800 -0.037 0.000 1.356 380 D HN 0.256 nan 8.370 nan 0.000 0.755 381 D N -0.734 119.622 120.400 -0.074 0.000 2.351 381 D HA -0.128 4.512 4.640 -0.001 0.000 0.216 381 D C 0.734 176.926 176.300 -0.180 0.000 0.968 381 D CA 0.441 54.308 54.000 -0.221 0.000 0.899 381 D CB -0.292 40.434 40.800 -0.122 0.000 0.907 381 D HN 0.387 nan 8.370 nan 0.000 0.514 382 N N -0.013 118.637 118.700 -0.084 0.000 2.280 382 N HA -0.044 4.695 4.740 -0.001 0.000 0.192 382 N C 0.101 175.562 175.510 -0.083 0.000 1.109 382 N CA -0.374 52.633 53.050 -0.071 0.000 0.855 382 N CB 0.123 38.594 38.487 -0.025 0.000 0.974 382 N HN -0.001 nan 8.380 nan 0.000 0.482 383 N N 0.862 119.503 118.700 -0.099 0.000 2.427 383 N HA -0.018 4.721 4.740 -0.001 0.000 0.269 383 N C 1.082 176.537 175.510 -0.092 0.000 1.235 383 N CA 0.141 53.142 53.050 -0.082 0.000 0.934 383 N CB 1.077 39.518 38.487 -0.077 0.000 1.121 383 N HN 0.205 nan 8.380 nan 0.000 0.480 384 G N 3.831 112.585 108.800 -0.077 0.000 2.443 384 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.219 384 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.219 384 G C 1.552 176.409 174.900 -0.071 0.000 1.131 384 G CA 0.348 45.396 45.100 -0.087 0.000 0.775 384 G HN 0.686 nan 8.290 nan 0.000 0.547 385 I N -0.371 120.174 120.570 -0.042 0.000 2.406 385 I HA -0.004 4.165 4.170 -0.001 0.000 0.249 385 I C 2.736 178.870 176.117 0.028 0.000 1.122 385 I CA 0.758 62.058 61.300 -0.000 0.000 1.431 385 I CB 0.005 38.014 38.000 0.014 0.000 1.087 385 I HN 0.056 nan 8.210 nan 0.000 0.424 386 K N 0.545 120.941 120.400 -0.007 0.000 2.057 386 K HA -0.127 4.193 4.320 -0.001 0.000 0.206 386 K C 1.899 178.503 176.600 0.006 0.000 1.050 386 K CA 1.250 57.532 56.287 -0.008 0.000 0.935 386 K CB -0.077 32.380 32.500 -0.073 0.000 0.715 386 K HN 0.195 nan 8.250 nan 0.000 0.439 387 N N 0.708 119.376 118.700 -0.053 0.000 2.120 387 N HA -0.179 4.561 4.740 -0.001 0.000 0.188 387 N C 1.670 177.343 175.510 0.272 0.000 1.024 387 N CA 0.965 54.015 53.050 -0.001 0.000 0.852 387 N CB -0.158 38.286 38.487 -0.071 0.000 1.003 387 N HN 0.138 nan 8.380 nan 0.000 0.424 388 R N 1.123 121.709 120.500 0.143 0.000 2.075 388 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 388 R C 0.662 177.159 176.300 0.327 0.000 1.126 388 R CA 1.380 57.601 56.100 0.200 0.000 0.963 388 R CB -0.236 30.076 30.300 0.020 0.000 0.858 388 R HN 0.125 nan 8.270 nan 0.000 0.435 389 D N -0.458 120.093 120.400 0.252 0.000 2.117 389 D HA -0.063 4.576 4.640 -0.001 0.000 0.198 389 D C 1.754 178.222 176.300 0.280 0.000 0.982 389 D CA 1.552 55.707 54.000 0.259 0.000 0.828 389 D CB -0.625 40.291 40.800 0.194 0.000 0.967 389 D HN 0.478 nan 8.370 nan 0.000 0.464 390 G N 0.542 109.523 108.800 0.302 0.000 2.432 390 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 390 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 390 G C 1.540 176.636 174.900 0.328 0.000 1.135 390 G CA 0.297 45.634 45.100 0.396 0.000 0.767 390 G HN 0.197 nan 8.290 nan 0.000 0.550 391 L N 0.556 121.978 121.223 0.331 0.000 2.217 391 L HA 0.092 4.431 4.340 -0.001 0.000 0.211 391 L C 2.181 179.112 176.870 0.102 0.000 1.107 391 L CA 1.445 56.360 54.840 0.125 0.000 0.783 391 L CB -0.223 41.970 42.059 0.224 0.000 0.919 391 L HN 0.129 nan 8.230 nan 0.000 0.442 392 D N -0.570 119.951 120.400 0.201 0.000 2.097 392 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 392 D C 1.568 177.954 176.300 0.143 0.000 0.984 392 D CA 1.167 55.278 54.000 0.185 0.000 0.826 392 D CB 0.157 41.110 40.800 0.256 0.000 0.973 392 D HN 0.269 nan 8.370 nan 0.000 0.460 393 D N 0.174 120.681 120.400 0.178 0.000 2.123 393 D HA -0.118 4.522 4.640 -0.001 0.000 0.196 393 D C 2.301 178.633 176.300 0.053 0.000 0.992 393 D CA 0.485 54.612 54.000 0.213 0.000 0.833 393 D CB -0.270 40.782 40.800 0.420 0.000 0.954 393 D HN 0.369 nan 8.370 nan 0.000 0.455 394 I N 0.410 120.857 120.570 -0.204 0.000 2.208 394 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 394 I C 2.378 178.358 176.117 -0.228 0.000 1.097 394 I CA 0.698 61.781 61.300 -0.363 0.000 1.363 394 I CB -0.168 37.590 38.000 -0.404 0.000 1.051 394 I HN -0.090 nan 8.210 nan 0.000 0.413 395 V N 0.830 120.670 119.914 -0.122 0.000 2.358 395 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 395 V C 2.527 178.535 176.094 -0.144 0.000 1.047 395 V CA 2.112 64.360 62.300 -0.087 0.000 1.035 395 V CB -1.249 30.610 31.823 0.059 0.000 0.658 395 V HN 0.554 nan 8.190 nan 0.000 0.452 396 G N -0.485 108.289 108.800 -0.043 0.000 2.394 396 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.214 396 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.214 396 G C 1.227 176.054 174.900 -0.122 0.000 1.176 396 G CA 0.857 45.940 45.100 -0.029 0.000 0.786 396 G HN 0.465 nan 8.290 nan 0.000 0.533 397 D N -0.008 120.335 120.400 -0.095 0.000 2.092 397 D HA -0.139 4.501 4.640 -0.001 0.000 0.193 397 D C 2.073 178.072 176.300 -0.501 0.000 0.994 397 D CA 1.521 55.439 54.000 -0.136 0.000 0.828 397 D CB -0.515 40.347 40.800 0.104 0.000 0.963 397 D HN 0.488 nan 8.370 nan 0.000 0.450 398 H N 0.259 118.695 119.070 -1.058 0.000 2.389 398 H HA 0.056 4.611 4.556 -0.001 0.000 0.299 398 H C 1.454 176.370 175.328 -0.688 0.000 1.081 398 H CA 1.575 56.830 56.048 -1.321 0.000 1.345 398 H CB 0.161 28.784 29.762 -1.898 0.000 1.393 398 H HN -0.009 nan 8.280 nan 0.000 0.520 399 N N -0.749 117.504 118.700 -0.746 0.000 2.388 399 N HA 0.020 4.759 4.740 -0.001 0.000 0.176 399 N C 0.898 176.128 175.510 -0.467 0.000 1.062 399 N CA 0.929 53.479 53.050 -0.834 0.000 0.895 399 N CB 1.272 38.704 38.487 -1.759 0.000 1.018 399 N HN 0.272 nan 8.380 nan 0.000 0.456 400 V N 0.467 120.183 119.914 -0.330 0.000 3.442 400 V HA 0.157 4.276 4.120 -0.001 0.000 0.205 400 V C 2.054 178.120 176.094 -0.048 0.000 1.320 400 V CA -0.113 62.132 62.300 -0.092 0.000 1.306 400 V CB 0.209 32.042 31.823 0.018 0.000 1.267 400 V HN -0.062 nan 8.190 nan 0.000 0.538 401 I N 0.613 121.170 120.570 -0.021 0.000 2.127 401 I HA -0.324 3.846 4.170 -0.001 0.000 0.241 401 I C 2.555 178.679 176.117 0.012 0.000 1.075 401 I CA 2.003 63.320 61.300 0.028 0.000 1.334 401 I CB -0.556 37.498 38.000 0.089 0.000 1.040 401 I HN 0.413 nan 8.210 nan 0.000 0.405 402 c N 0.862 119.452 118.600 -0.016 0.000 2.466 402 c HA -0.019 4.551 4.570 -0.001 0.000 0.278 402 c C 0.278 174.381 174.090 0.022 0.000 1.288 402 c CA 0.669 57.025 56.329 0.044 0.000 1.722 402 c CB -1.808 40.763 42.510 0.102 0.000 2.017 402 c HN 0.370 nan 8.230 nan 0.000 0.488 403 P HA -0.090 nan 4.420 nan 0.000 0.218 403 P C 1.656 178.970 177.300 0.023 0.000 1.149 403 P CA 1.094 64.149 63.100 -0.076 0.000 0.817 403 P CB -0.209 31.360 31.700 -0.220 0.000 0.785 404 L N -2.007 119.217 121.223 0.001 0.000 2.156 404 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 404 L C 2.014 178.930 176.870 0.076 0.000 1.095 404 L CA 1.389 56.248 54.840 0.031 0.000 0.770 404 L CB -0.459 41.594 42.059 -0.010 0.000 0.914 404 L HN -0.120 nan 8.230 nan 0.000 0.439 405 M N -1.188 118.453 119.600 0.067 0.000 2.394 405 M HA -0.147 4.333 4.480 -0.001 0.000 0.264 405 M C 2.022 178.400 176.300 0.129 0.000 1.073 405 M CA 1.337 56.676 55.300 0.066 0.000 1.111 405 M CB -1.251 31.401 32.600 0.085 0.000 1.401 405 M HN 0.401 nan 8.290 nan 0.000 0.448 406 H N -0.269 118.843 119.070 0.069 0.000 2.284 406 H HA -0.130 4.425 4.556 -0.001 0.000 0.304 406 H C 1.828 177.209 175.328 0.089 0.000 1.069 406 H CA 2.022 58.118 56.048 0.080 0.000 1.327 406 H CB -0.454 29.347 29.762 0.065 0.000 1.387 406 H HN 0.194 nan 8.280 nan 0.000 0.498 407 F N 0.350 120.287 119.950 -0.020 0.000 2.065 407 F HA -0.252 4.274 4.527 -0.001 0.000 0.298 407 F C 2.507 178.243 175.800 -0.107 0.000 1.112 407 F CA 1.736 59.671 58.000 -0.109 0.000 1.212 407 F CB -0.981 37.955 39.000 -0.107 0.000 0.975 407 F HN 0.122 nan 8.300 nan 0.000 0.476 408 V N 1.050 120.933 119.914 -0.053 0.000 2.332 408 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 408 V C 2.256 178.250 176.094 -0.168 0.000 1.055 408 V CA 2.525 64.688 62.300 -0.228 0.000 1.038 408 V CB -0.631 30.992 31.823 -0.333 0.000 0.651 408 V HN 0.451 nan 8.190 nan 0.000 0.450 409 N N -0.540 118.132 118.700 -0.047 0.000 2.270 409 N HA -0.089 4.651 4.740 -0.001 0.000 0.181 409 N C 1.771 177.292 175.510 0.019 0.000 1.016 409 N CA 0.821 53.936 53.050 0.109 0.000 0.870 409 N CB -0.087 38.480 38.487 0.134 0.000 0.979 409 N HN 0.406 nan 8.380 nan 0.000 0.431 410 K N 0.417 120.735 120.400 -0.137 0.000 2.062 410 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 410 K C 1.891 178.494 176.600 0.005 0.000 1.051 410 K CA 0.647 56.867 56.287 -0.112 0.000 0.941 410 K CB -0.873 31.463 32.500 -0.273 0.000 0.719 410 K HN 0.268 nan 8.250 nan 0.000 0.440 411 Y N 2.387 122.462 120.300 -0.374 0.000 2.109 411 Y HA -0.219 4.331 4.550 -0.001 0.000 0.285 411 Y C 2.215 178.152 175.900 0.062 0.000 1.131 411 Y CA 2.077 59.993 58.100 -0.306 0.000 1.121 411 Y CB -0.534 37.450 38.460 -0.793 0.000 0.987 411 Y HN 0.032 nan 8.280 nan 0.000 0.495 412 T N 0.488 115.173 114.554 0.219 0.000 2.836 412 T HA -0.311 4.039 4.350 -0.001 0.000 0.268 412 T C 1.709 176.469 174.700 0.100 0.000 1.080 412 T CA 1.891 64.132 62.100 0.235 0.000 1.128 412 T CB -0.360 68.760 68.868 0.419 0.000 0.839 412 T HN 0.323 nan 8.240 nan 0.000 0.507 413 K N 0.056 120.497 120.400 0.068 0.000 2.155 413 K HA 0.028 4.348 4.320 -0.001 0.000 0.203 413 K C 1.172 177.567 176.600 -0.342 0.000 1.052 413 K CA 1.331 57.542 56.287 -0.126 0.000 0.948 413 K CB -0.074 32.343 32.500 -0.139 0.000 0.728 413 K HN 0.412 nan 8.250 nan 0.000 0.448 414 F N -0.322 119.566 119.950 -0.102 0.000 2.746 414 F HA 0.360 4.886 4.527 -0.001 0.000 0.313 414 F C 1.288 176.938 175.800 -0.250 0.000 1.095 414 F CA -0.498 57.386 58.000 -0.192 0.000 1.224 414 F CB 0.396 39.202 39.000 -0.323 0.000 1.060 414 F HN 0.012 nan 8.300 nan 0.000 0.584 415 G N 0.136 108.847 108.800 -0.148 0.000 2.651 415 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.260 415 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.260 415 G C 0.245 175.176 174.900 0.051 0.000 1.216 415 G CA -0.354 44.662 45.100 -0.139 0.000 0.913 415 G HN 0.290 nan 8.290 nan 0.000 0.535 416 N N -0.342 118.442 118.700 0.141 0.000 2.338 416 N HA 0.302 5.042 4.740 -0.001 0.000 0.251 416 N C 0.210 175.793 175.510 0.123 0.000 1.199 416 N CA 0.388 53.498 53.050 0.101 0.000 0.879 416 N CB 0.296 38.834 38.487 0.084 0.000 1.159 416 N HN 0.885 nan 8.380 nan 0.000 0.514 417 G N 0.688 109.578 108.800 0.151 0.000 2.177 417 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.202 417 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.202 417 G C -1.237 173.722 174.900 0.098 0.000 1.581 417 G CA -0.750 44.402 45.100 0.086 0.000 0.983 417 G HN 0.028 nan 8.290 nan 0.000 0.689 418 T N 1.780 116.284 114.554 -0.084 0.000 2.848 418 T HA 0.672 5.022 4.350 -0.001 0.000 0.285 418 T C -1.219 173.285 174.700 -0.327 0.000 0.995 418 T CA -0.351 61.715 62.100 -0.057 0.000 0.970 418 T CB 1.338 70.265 68.868 0.099 0.000 0.976 418 T HN 0.416 nan 8.240 nan 0.000 0.441 419 Y N 2.048 122.323 120.300 -0.043 0.000 2.338 419 Y HA 0.644 5.194 4.550 -0.001 0.000 0.333 419 Y C -0.540 175.485 175.900 0.208 0.000 0.968 419 Y CA -1.112 56.941 58.100 -0.078 0.000 1.123 419 Y CB 1.547 39.546 38.460 -0.767 0.000 1.165 419 Y HN 0.442 nan 8.280 nan 0.000 0.452 420 L N 6.178 127.802 121.223 0.667 0.000 2.333 420 L HA 0.579 4.919 4.340 -0.001 0.000 0.280 420 L C -1.228 176.061 176.870 0.697 0.000 1.004 420 L CA -0.905 54.240 54.840 0.509 0.000 0.820 420 L CB 0.586 42.785 42.059 0.234 0.000 1.247 420 L HN 0.533 nan 8.230 nan 0.000 0.416 421 Y N 3.387 123.980 120.300 0.489 0.000 2.562 421 Y HA 0.721 5.271 4.550 -0.001 0.000 0.343 421 Y C -1.595 174.556 175.900 0.419 0.000 1.025 421 Y CA -1.912 56.381 58.100 0.323 0.000 1.082 421 Y CB 1.330 39.879 38.460 0.148 0.000 1.264 421 Y HN 0.515 nan 8.280 nan 0.000 0.478 422 F N 4.502 124.739 119.950 0.478 0.000 2.552 422 F HA 0.413 4.939 4.527 -0.001 0.000 0.369 422 F C -1.691 174.393 175.800 0.474 0.000 1.112 422 F CA -1.781 56.433 58.000 0.357 0.000 1.129 422 F CB 0.386 39.578 39.000 0.319 0.000 1.360 422 F HN 0.561 nan 8.300 nan 0.000 0.473 423 F N 7.487 127.511 119.950 0.124 0.000 2.466 423 F HA 0.251 4.778 4.527 -0.001 0.000 0.363 423 F C 0.268 175.916 175.800 -0.254 0.000 1.109 423 F CA -0.239 57.777 58.000 0.027 0.000 1.161 423 F CB 0.356 39.447 39.000 0.152 0.000 1.117 423 F HN 0.525 nan 8.300 nan 0.000 0.539 424 N N 3.796 122.129 118.700 -0.611 0.000 2.610 424 N HA 0.100 4.840 4.740 -0.001 0.000 0.307 424 N C -1.324 173.914 175.510 -0.453 0.000 1.813 424 N CA -0.539 52.228 53.050 -0.472 0.000 0.901 424 N CB -0.450 37.959 38.487 -0.131 0.000 1.354 424 N HN 0.672 nan 8.380 nan 0.000 0.491 425 H N -0.094 118.382 119.070 -0.990 0.000 2.489 425 H HA 0.500 5.056 4.556 -0.001 0.000 0.343 425 H C -0.842 174.253 175.328 -0.389 0.000 1.086 425 H CA -0.668 54.992 56.048 -0.647 0.000 1.198 425 H CB 1.432 30.755 29.762 -0.733 0.000 1.490 425 H HN 0.098 nan 8.280 nan 0.000 0.504 426 R N 3.766 123.776 120.500 -0.816 0.000 2.229 426 R HA 0.534 4.873 4.340 -0.001 0.000 0.328 426 R C -0.635 175.414 176.300 -0.418 0.000 1.009 426 R CA -0.697 55.153 56.100 -0.417 0.000 0.864 426 R CB 0.635 30.783 30.300 -0.253 0.000 1.085 426 R HN 0.830 nan 8.270 nan 0.000 0.453 427 A N 2.694 125.579 122.820 0.109 0.000 2.546 427 A HA -0.018 4.302 4.320 -0.001 0.000 0.243 427 A C 1.385 179.048 177.584 0.131 0.000 1.063 427 A CA 0.572 52.834 52.037 0.376 0.000 0.757 427 A CB 0.324 19.612 19.000 0.480 0.000 0.991 427 A HN 0.997 nan 8.150 nan 0.000 0.503 428 S N 1.894 117.699 115.700 0.174 0.000 2.442 428 S HA -0.183 4.287 4.470 -0.001 0.000 0.236 428 S C 0.917 175.504 174.600 -0.022 0.000 1.007 428 S CA 1.350 59.587 58.200 0.063 0.000 0.965 428 S CB -0.443 62.819 63.200 0.104 0.000 0.773 428 S HN 0.943 nan 8.310 nan 0.000 0.504 429 N N 0.544 119.192 118.700 -0.085 0.000 2.273 429 N HA 0.257 4.996 4.740 -0.001 0.000 0.231 429 N C -0.256 175.173 175.510 -0.135 0.000 1.134 429 N CA -0.508 52.444 53.050 -0.164 0.000 0.856 429 N CB -0.588 37.700 38.487 -0.332 0.000 1.068 429 N HN 0.392 nan 8.380 nan 0.000 0.510 430 L N 1.202 122.388 121.223 -0.061 0.000 2.485 430 L HA 0.015 4.354 4.340 -0.001 0.000 0.275 430 L C 1.340 178.154 176.870 -0.093 0.000 1.207 430 L CA 0.039 54.849 54.840 -0.049 0.000 0.855 430 L CB 1.007 43.045 42.059 -0.036 0.000 1.114 430 L HN 0.185 nan 8.230 nan 0.000 0.485 431 V N 0.088 119.910 119.914 -0.153 0.000 3.590 431 V HA 0.162 4.282 4.120 -0.001 0.000 0.265 431 V C 0.506 176.548 176.094 -0.086 0.000 1.239 431 V CA -0.475 61.723 62.300 -0.170 0.000 1.117 431 V CB -1.166 30.455 31.823 -0.337 0.000 0.818 431 V HN 0.652 nan 8.190 nan 0.000 0.451 432 W N 1.717 122.974 121.300 -0.071 0.000 2.215 432 W HA 0.525 5.185 4.660 -0.001 0.000 0.342 432 W C -1.796 174.578 176.519 -0.243 0.000 1.237 432 W CA -2.236 55.018 57.345 -0.152 0.000 1.283 432 W CB -0.007 29.219 29.460 -0.390 0.000 1.131 432 W HN -0.035 nan 8.180 nan 0.000 0.606 433 P HA -0.102 nan 4.420 nan 0.000 0.267 433 P C 0.237 177.400 177.300 -0.229 0.000 1.201 433 P CA 0.522 63.564 63.100 -0.097 0.000 0.775 433 P CB 0.731 32.410 31.700 -0.035 0.000 0.854 434 E N 1.297 121.451 120.200 -0.077 0.000 2.268 434 E HA -0.105 4.245 4.350 -0.001 0.000 0.195 434 E C 1.692 178.274 176.600 -0.030 0.000 0.995 434 E CA 0.917 57.284 56.400 -0.055 0.000 0.836 434 E CB -0.134 29.578 29.700 0.020 0.000 0.763 434 E HN 0.706 nan 8.360 nan 0.000 0.491 435 W N -0.142 121.177 121.300 0.032 0.000 2.595 435 W HA 0.005 4.664 4.660 -0.001 0.000 0.257 435 W C 1.371 177.921 176.519 0.051 0.000 1.267 435 W CA 0.186 57.562 57.345 0.052 0.000 1.300 435 W CB -0.642 28.863 29.460 0.076 0.000 1.120 435 W HN -0.037 nan 8.180 nan 0.000 0.618 436 M N 1.205 120.315 119.600 -0.816 0.000 2.349 436 M HA 0.104 4.583 4.480 -0.001 0.000 0.266 436 M C 1.862 177.965 176.300 -0.329 0.000 1.076 436 M CA 1.791 56.587 55.300 -0.841 0.000 1.126 436 M CB -0.707 31.242 32.600 -1.085 0.000 1.392 436 M HN 0.163 nan 8.290 nan 0.000 0.440 437 G N 0.485 109.158 108.800 -0.212 0.000 2.556 437 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.283 437 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.283 437 G C -0.136 174.703 174.900 -0.102 0.000 1.177 437 G CA -0.175 44.864 45.100 -0.101 0.000 0.978 437 G HN 0.220 nan 8.290 nan 0.000 0.554 438 V N 2.154 122.044 119.914 -0.040 0.000 2.267 438 V HA 0.388 4.507 4.120 -0.001 0.000 0.254 438 V C 1.060 177.216 176.094 0.104 0.000 1.144 438 V CA -0.035 62.281 62.300 0.025 0.000 0.992 438 V CB -0.108 31.700 31.823 -0.024 0.000 1.199 438 V HN 0.521 nan 8.190 nan 0.000 0.493 439 I N 2.831 123.442 120.570 0.069 0.000 2.754 439 I HA 0.080 4.249 4.170 -0.001 0.000 0.285 439 I C 0.952 177.327 176.117 0.430 0.000 1.166 439 I CA -0.331 61.041 61.300 0.121 0.000 1.417 439 I CB 0.097 37.961 38.000 -0.227 0.000 1.382 439 I HN 0.537 nan 8.210 nan 0.000 0.588 440 H N 4.649 123.917 119.070 0.331 0.000 3.157 440 H HA 0.180 4.735 4.556 -0.001 0.000 0.299 440 H C 0.970 176.489 175.328 0.320 0.000 0.961 440 H CA 1.002 57.241 56.048 0.319 0.000 1.428 440 H CB 0.042 29.992 29.762 0.313 0.000 1.459 440 H HN 0.766 nan 8.280 nan 0.000 0.566 441 G N 3.782 112.522 108.800 -0.101 0.000 2.157 441 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.239 441 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.239 441 G C 0.369 175.335 174.900 0.109 0.000 0.982 441 G CA 0.317 45.385 45.100 -0.053 0.000 0.650 441 G HN 0.636 nan 8.290 nan 0.000 0.527 442 Y N 0.909 121.401 120.300 0.320 0.000 2.524 442 Y HA 0.253 4.803 4.550 -0.001 0.000 0.266 442 Y C 2.207 178.317 175.900 0.350 0.000 1.180 442 Y CA 0.713 59.049 58.100 0.392 0.000 1.244 442 Y CB 0.522 39.223 38.460 0.400 0.000 1.125 442 Y HN 0.492 nan 8.280 nan 0.000 0.524 443 E N 0.025 120.291 120.200 0.109 0.000 2.364 443 E HA -0.047 4.303 4.350 -0.001 0.000 0.196 443 E C 1.685 178.200 176.600 -0.143 0.000 0.990 443 E CA 0.589 56.702 56.400 -0.478 0.000 0.886 443 E CB -0.358 28.876 29.700 -0.777 0.000 0.866 443 E HN 0.501 nan 8.360 nan 0.000 0.493 444 I N 2.908 123.504 120.570 0.043 0.000 2.087 444 I HA -0.360 3.809 4.170 -0.001 0.000 0.240 444 I C 2.680 178.826 176.117 0.049 0.000 1.054 444 I CA 2.431 63.789 61.300 0.097 0.000 1.311 444 I CB -0.666 37.418 38.000 0.141 0.000 1.024 444 I HN 0.240 nan 8.210 nan 0.000 0.402 445 E N 0.875 121.066 120.200 -0.015 0.000 2.171 445 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 445 E C 2.072 178.521 176.600 -0.253 0.000 0.997 445 E CA 1.669 57.990 56.400 -0.132 0.000 0.810 445 E CB -0.588 29.044 29.700 -0.113 0.000 0.738 445 E HN 0.466 nan 8.360 nan 0.000 0.467 446 F N 1.050 120.883 119.950 -0.195 0.000 2.187 446 F HA -0.035 4.492 4.527 -0.001 0.000 0.295 446 F C 2.458 178.052 175.800 -0.345 0.000 1.091 446 F CA 0.575 58.407 58.000 -0.279 0.000 1.308 446 F CB -0.322 38.517 39.000 -0.268 0.000 1.030 446 F HN -0.150 nan 8.300 nan 0.000 0.487 447 V N -0.894 118.896 119.914 -0.206 0.000 2.407 447 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 447 V C 1.553 177.448 176.094 -0.331 0.000 1.055 447 V CA 1.669 63.703 62.300 -0.443 0.000 1.049 447 V CB -0.612 30.976 31.823 -0.392 0.000 0.662 447 V HN 0.211 nan 8.190 nan 0.000 0.455 448 F N 0.412 120.208 119.950 -0.256 0.000 2.692 448 F HA 0.413 4.939 4.527 -0.001 0.000 0.303 448 F C 1.695 177.380 175.800 -0.191 0.000 1.114 448 F CA 0.413 58.295 58.000 -0.196 0.000 1.361 448 F CB -0.398 38.469 39.000 -0.222 0.000 1.063 448 F HN 0.235 nan 8.300 nan 0.000 0.550 449 G N 0.835 109.536 108.800 -0.164 0.000 2.356 449 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.296 449 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.296 449 G C 1.133 175.729 174.900 -0.507 0.000 1.022 449 G CA 0.267 45.195 45.100 -0.287 0.000 0.961 449 G HN 0.300 nan 8.290 nan 0.000 0.510 450 L N -0.278 120.614 121.223 -0.552 0.000 2.156 450 L HA 0.004 4.343 4.340 -0.001 0.000 0.208 450 L C 0.020 176.431 176.870 -0.766 0.000 1.095 450 L CA 2.152 56.617 54.840 -0.624 0.000 0.770 450 L CB -1.719 40.115 42.059 -0.375 0.000 0.914 450 L HN 0.172 nan 8.230 nan 0.000 0.439 451 P HA -0.102 nan 4.420 nan 0.000 0.234 451 P C 1.745 178.695 177.300 -0.583 0.000 1.162 451 P CA 0.915 63.146 63.100 -1.449 0.000 0.759 451 P CB -0.002 30.806 31.700 -1.486 0.000 0.813 452 L N -2.209 118.726 121.223 -0.481 0.000 2.354 452 L HA 0.067 4.406 4.340 -0.001 0.000 0.212 452 L C 0.566 177.300 176.870 -0.228 0.000 1.091 452 L CA 0.357 55.020 54.840 -0.295 0.000 0.828 452 L CB -0.133 41.766 42.059 -0.267 0.000 0.973 452 L HN -0.235 nan 8.230 nan 0.000 0.461 453 V N 1.400 121.140 119.914 -0.289 0.000 2.370 453 V HA 0.007 4.126 4.120 -0.001 0.000 0.257 453 V C 1.425 177.477 176.094 -0.071 0.000 1.064 453 V CA 0.000 62.195 62.300 -0.175 0.000 0.975 453 V CB 0.750 32.444 31.823 -0.215 0.000 1.067 453 V HN 0.294 nan 8.190 nan 0.000 0.485 454 K N 3.536 123.908 120.400 -0.047 0.000 2.077 454 K HA -0.260 4.059 4.320 -0.001 0.000 0.213 454 K C 1.659 178.249 176.600 -0.016 0.000 1.051 454 K CA 2.206 58.482 56.287 -0.019 0.000 0.929 454 K CB 0.129 32.617 32.500 -0.021 0.000 0.715 454 K HN 0.709 nan 8.250 nan 0.000 0.451 455 E N 0.568 120.751 120.200 -0.028 0.000 2.393 455 E HA -0.166 4.184 4.350 -0.001 0.000 0.201 455 E C 1.393 177.966 176.600 -0.045 0.000 1.025 455 E CA 0.812 57.191 56.400 -0.035 0.000 0.856 455 E CB -0.066 29.614 29.700 -0.034 0.000 0.771 455 E HN 0.406 nan 8.360 nan 0.000 0.526 456 L N 0.219 121.426 121.223 -0.027 0.000 2.592 456 L HA 0.085 4.424 4.340 -0.001 0.000 0.227 456 L C -0.266 176.517 176.870 -0.145 0.000 1.127 456 L CA -0.216 54.595 54.840 -0.050 0.000 0.884 456 L CB -0.342 41.767 42.059 0.083 0.000 1.065 456 L HN 0.090 nan 8.230 nan 0.000 0.457 457 N N 0.083 118.737 118.700 -0.075 0.000 2.641 457 N HA -0.234 4.506 4.740 -0.001 0.000 0.267 457 N C -0.946 174.469 175.510 -0.159 0.000 1.087 457 N CA 0.982 53.971 53.050 -0.101 0.000 0.731 457 N CB -1.555 36.852 38.487 -0.133 0.000 0.886 457 N HN 0.276 nan 8.380 nan 0.000 0.547 458 Y N -0.680 119.584 120.300 -0.059 0.000 2.567 458 Y HA 0.491 5.041 4.550 -0.001 0.000 0.333 458 Y C 1.401 177.295 175.900 -0.009 0.000 1.106 458 Y CA -0.566 57.511 58.100 -0.038 0.000 1.157 458 Y CB 1.140 39.539 38.460 -0.102 0.000 1.277 458 Y HN 0.189 nan 8.280 nan 0.000 0.490 459 T N -1.672 113.015 114.554 0.221 0.000 2.874 459 T HA 0.466 4.816 4.350 -0.001 0.000 0.281 459 T C 1.166 175.928 174.700 0.103 0.000 0.994 459 T CA -0.168 62.013 62.100 0.134 0.000 1.015 459 T CB 1.381 70.332 68.868 0.138 0.000 1.028 459 T HN 0.794 nan 8.240 nan 0.000 0.523 460 A N 1.162 124.019 122.820 0.062 0.000 1.917 460 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 460 A C 2.153 179.755 177.584 0.029 0.000 1.182 460 A CA 2.014 54.071 52.037 0.033 0.000 0.633 460 A CB -1.169 17.844 19.000 0.023 0.000 0.819 460 A HN 0.937 nan 8.150 nan 0.000 0.448 461 E N 0.263 120.491 120.200 0.046 0.000 2.085 461 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 461 E C 1.921 178.540 176.600 0.031 0.000 0.994 461 E CA 1.590 58.009 56.400 0.033 0.000 0.801 461 E CB -0.291 29.436 29.700 0.044 0.000 0.743 461 E HN 0.789 nan 8.360 nan 0.000 0.453 462 E N 0.341 120.599 120.200 0.096 0.000 2.106 462 E HA -0.224 4.126 4.350 -0.001 0.000 0.192 462 E C 2.112 178.737 176.600 0.042 0.000 0.984 462 E CA 1.152 57.667 56.400 0.192 0.000 0.806 462 E CB -0.089 29.840 29.700 0.381 0.000 0.750 462 E HN 0.401 nan 8.360 nan 0.000 0.458 463 E N 1.373 121.540 120.200 -0.055 0.000 2.077 463 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 463 E C 2.041 178.588 176.600 -0.088 0.000 0.989 463 E CA 1.149 57.462 56.400 -0.144 0.000 0.800 463 E CB -0.090 29.546 29.700 -0.107 0.000 0.746 463 E HN 0.193 nan 8.360 nan 0.000 0.452 464 A N 1.104 123.898 122.820 -0.043 0.000 1.877 464 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 464 A C 2.216 179.775 177.584 -0.041 0.000 1.186 464 A CA 1.442 53.453 52.037 -0.043 0.000 0.620 464 A CB -0.795 18.189 19.000 -0.027 0.000 0.822 464 A HN 0.421 nan 8.150 nan 0.000 0.443 465 L N -0.194 121.024 121.223 -0.007 0.000 2.046 465 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 465 L C 2.564 179.458 176.870 0.040 0.000 1.077 465 L CA 2.590 57.431 54.840 0.001 0.000 0.747 465 L CB -0.780 41.254 42.059 -0.040 0.000 0.896 465 L HN 0.358 nan 8.230 nan 0.000 0.432 466 S N -0.539 115.228 115.700 0.112 0.000 2.351 466 S HA -0.236 4.233 4.470 -0.001 0.000 0.220 466 S C 2.210 176.750 174.600 -0.100 0.000 1.035 466 S CA 1.514 59.726 58.200 0.020 0.000 1.031 466 S CB -0.270 62.812 63.200 -0.197 0.000 0.928 466 S HN 0.540 nan 8.310 nan 0.000 0.433 467 R N 0.431 120.867 120.500 -0.107 0.000 2.096 467 R HA -0.127 4.213 4.340 -0.001 0.000 0.240 467 R C 2.762 178.990 176.300 -0.121 0.000 1.139 467 R CA 1.872 57.907 56.100 -0.107 0.000 0.952 467 R CB -0.440 29.799 30.300 -0.102 0.000 0.854 467 R HN 0.456 nan 8.270 nan 0.000 0.436 468 R N 0.877 121.286 120.500 -0.152 0.000 2.083 468 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 468 R C 2.240 178.293 176.300 -0.412 0.000 1.137 468 R CA 1.632 57.566 56.100 -0.277 0.000 0.951 468 R CB -0.303 29.858 30.300 -0.232 0.000 0.851 468 R HN 0.194 nan 8.270 nan 0.000 0.434 469 I N 0.386 120.820 120.570 -0.226 0.000 2.179 469 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 469 I C 2.548 178.589 176.117 -0.128 0.000 1.088 469 I CA 1.371 62.586 61.300 -0.142 0.000 1.357 469 I CB -0.097 37.704 38.000 -0.331 0.000 1.051 469 I HN 0.343 nan 8.210 nan 0.000 0.409 470 M N -0.703 118.792 119.600 -0.176 0.000 2.202 470 M HA -0.282 4.197 4.480 -0.001 0.000 0.262 470 M C 2.318 178.664 176.300 0.077 0.000 1.063 470 M CA 1.693 56.928 55.300 -0.107 0.000 1.097 470 M CB -0.545 31.988 32.600 -0.113 0.000 1.382 470 M HN 0.303 nan 8.290 nan 0.000 0.413 471 H N -0.628 118.417 119.070 -0.041 0.000 2.395 471 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 471 H C 1.463 176.904 175.328 0.187 0.000 1.070 471 H CA 1.812 57.867 56.048 0.011 0.000 1.356 471 H CB 0.009 29.722 29.762 -0.081 0.000 1.401 471 H HN 0.263 nan 8.280 nan 0.000 0.524 472 Y N -0.572 119.897 120.300 0.281 0.000 2.097 472 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 472 Y C 2.589 178.674 175.900 0.309 0.000 1.152 472 Y CA 1.142 59.439 58.100 0.329 0.000 1.136 472 Y CB -1.186 37.692 38.460 0.697 0.000 0.975 472 Y HN 0.357 nan 8.280 nan 0.000 0.498 473 W N -0.361 121.035 121.300 0.160 0.000 2.333 473 W HA -0.283 4.377 4.660 -0.001 0.000 0.316 473 W C 2.627 179.150 176.519 0.008 0.000 1.215 473 W CA 1.285 58.655 57.345 0.042 0.000 1.278 473 W CB -0.645 28.784 29.460 -0.051 0.000 1.154 473 W HN 0.091 nan 8.180 nan 0.000 0.486 474 A N 0.300 123.232 122.820 0.186 0.000 1.845 474 A HA -0.193 4.127 4.320 -0.001 0.000 0.215 474 A C 1.813 179.377 177.584 -0.034 0.000 1.195 474 A CA 2.568 54.623 52.037 0.030 0.000 0.616 474 A CB -1.449 17.554 19.000 0.004 0.000 0.832 474 A HN 0.217 nan 8.150 nan 0.000 0.443 475 T N -0.577 113.897 114.554 -0.133 0.000 2.685 475 T HA -0.212 4.138 4.350 -0.001 0.000 0.268 475 T C 1.585 176.223 174.700 -0.103 0.000 1.034 475 T CA 1.891 63.873 62.100 -0.196 0.000 1.149 475 T CB -0.448 68.214 68.868 -0.343 0.000 0.860 475 T HN 0.520 nan 8.240 nan 0.000 0.449 476 F N 1.880 121.720 119.950 -0.183 0.000 2.163 476 F HA 0.130 4.657 4.527 -0.001 0.000 0.297 476 F C 2.413 178.118 175.800 -0.159 0.000 1.094 476 F CA 0.893 58.753 58.000 -0.234 0.000 1.290 476 F CB -0.603 38.184 39.000 -0.355 0.000 1.017 476 F HN 0.128 nan 8.300 nan 0.000 0.483 477 A N 0.430 123.196 122.820 -0.090 0.000 1.908 477 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 477 A C 2.258 179.714 177.584 -0.214 0.000 1.181 477 A CA 2.073 54.016 52.037 -0.157 0.000 0.627 477 A CB -0.854 18.121 19.000 -0.041 0.000 0.818 477 A HN 0.517 nan 8.150 nan 0.000 0.445 478 K N -0.963 119.339 120.400 -0.164 0.000 2.062 478 K HA -0.094 4.226 4.320 -0.001 0.000 0.205 478 K C 1.840 178.343 176.600 -0.161 0.000 1.051 478 K CA 1.858 58.067 56.287 -0.130 0.000 0.941 478 K CB -0.117 32.330 32.500 -0.088 0.000 0.719 478 K HN 0.567 nan 8.250 nan 0.000 0.440 479 T N -4.162 110.267 114.554 -0.210 0.000 3.010 479 T HA 0.247 4.597 4.350 -0.001 0.000 0.257 479 T C 1.081 175.623 174.700 -0.263 0.000 1.020 479 T CA 0.424 62.411 62.100 -0.188 0.000 0.938 479 T CB 0.761 69.555 68.868 -0.123 0.000 1.049 479 T HN 0.352 nan 8.240 nan 0.000 0.522 480 G N 1.440 109.927 108.800 -0.522 0.000 2.148 480 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.254 480 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.254 480 G C -0.169 174.526 174.900 -0.342 0.000 0.981 480 G CA 0.123 44.828 45.100 -0.659 0.000 0.670 480 G HN 0.854 nan 8.290 nan 0.000 0.528 481 N N -0.530 118.006 118.700 -0.274 0.000 2.369 481 N HA 0.421 5.160 4.740 -0.001 0.000 0.287 481 N C -1.786 173.579 175.510 -0.241 0.000 1.067 481 N CA -1.354 51.576 53.050 -0.199 0.000 0.888 481 N CB 2.445 40.889 38.487 -0.072 0.000 1.616 481 N HN -0.083 nan 8.380 nan 0.000 0.482 482 P HA -0.031 nan 4.420 nan 0.000 0.222 482 P C -0.332 176.975 177.300 0.012 0.000 1.153 482 P CA 0.750 63.687 63.100 -0.271 0.000 0.798 482 P CB 0.414 31.641 31.700 -0.787 0.000 0.796 483 N N 1.008 119.677 118.700 -0.051 0.000 2.515 483 N HA 0.110 4.849 4.740 -0.001 0.000 0.279 483 N C 0.562 176.123 175.510 0.084 0.000 1.164 483 N CA -0.219 52.899 53.050 0.114 0.000 0.982 483 N CB 1.250 39.807 38.487 0.116 0.000 1.170 483 N HN 0.116 nan 8.380 nan 0.000 0.474 491 K N 2.029 122.540 120.400 0.186 0.000 2.316 491 K HA 0.216 4.536 4.320 -0.001 0.000 0.289 491 K C -0.797 175.975 176.600 0.286 0.000 1.070 491 K CA -0.514 55.907 56.287 0.223 0.000 0.928 491 K CB 0.343 32.946 32.500 0.171 0.000 1.039 491 K HN 0.405 nan 8.250 nan 0.000 0.480 492 W N 8.522 129.876 121.300 0.090 0.000 2.585 492 W HA 0.126 4.786 4.660 -0.001 0.000 0.337 492 W C -2.316 174.317 176.519 0.190 0.000 1.226 492 W CA -2.849 54.539 57.345 0.072 0.000 1.463 492 W CB -0.330 29.058 29.460 -0.120 0.000 1.458 492 W HN 0.455 nan 8.180 nan 0.000 0.458 493 P HA -0.091 nan 4.420 nan 0.000 0.267 493 P C -0.367 177.176 177.300 0.406 0.000 1.201 493 P CA -0.036 63.290 63.100 0.376 0.000 0.775 493 P CB 1.011 32.852 31.700 0.234 0.000 0.854 494 L N 3.202 124.523 121.223 0.164 0.000 2.395 494 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 494 L C -0.276 176.611 176.870 0.027 0.000 1.133 494 L CA -0.600 54.151 54.840 -0.149 0.000 0.812 494 L CB 0.064 41.998 42.059 -0.207 0.000 1.125 494 L HN 0.185 nan 8.230 nan 0.000 0.452 495 F N 3.787 123.657 119.950 -0.132 0.000 2.420 495 F HA 0.543 5.070 4.527 -0.001 0.000 0.352 495 F C 0.064 175.851 175.800 -0.021 0.000 1.108 495 F CA -0.029 57.978 58.000 0.011 0.000 1.162 495 F CB 0.813 39.853 39.000 0.068 0.000 1.118 495 F HN 0.653 nan 8.300 nan 0.000 0.510 496 T N 1.338 115.559 114.554 -0.554 0.000 2.893 496 T HA 0.218 4.568 4.350 -0.001 0.000 0.291 496 T C 0.760 175.106 174.700 -0.591 0.000 1.028 496 T CA -0.559 61.310 62.100 -0.384 0.000 0.995 496 T CB 1.518 70.263 68.868 -0.204 0.000 1.051 496 T HN 0.565 nan 8.240 nan 0.000 0.470 497 T N 1.145 115.535 114.554 -0.274 0.000 2.869 497 T HA -0.099 4.251 4.350 -0.001 0.000 0.270 497 T C 1.637 176.228 174.700 -0.182 0.000 1.082 497 T CA 1.523 63.520 62.100 -0.172 0.000 1.123 497 T CB -0.234 68.600 68.868 -0.057 0.000 0.856 497 T HN 0.633 nan 8.240 nan 0.000 0.499 498 K N 0.172 120.461 120.400 -0.184 0.000 2.029 498 K HA 0.018 4.337 4.320 -0.001 0.000 0.205 498 K C 2.226 178.742 176.600 -0.140 0.000 1.042 498 K CA 0.805 57.015 56.287 -0.128 0.000 0.949 498 K CB 0.183 32.627 32.500 -0.095 0.000 0.740 498 K HN 0.187 nan 8.250 nan 0.000 0.442 499 E N 0.680 120.773 120.200 -0.180 0.000 2.318 499 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 499 E C -0.057 176.436 176.600 -0.178 0.000 0.998 499 E CA 0.246 56.563 56.400 -0.139 0.000 0.859 499 E CB 0.329 29.968 29.700 -0.101 0.000 0.812 499 E HN 0.294 nan 8.360 nan 0.000 0.492 500 Q N 0.992 120.517 119.800 -0.458 0.000 2.435 500 Q HA -0.203 4.137 4.340 -0.001 0.000 0.286 500 Q C -0.484 175.550 176.000 0.057 0.000 1.229 500 Q CA 0.803 56.246 55.803 -0.600 0.000 0.884 500 Q CB -1.819 26.849 28.738 -0.116 0.000 1.245 500 Q HN 0.290 nan 8.270 nan 0.000 0.488 501 K N 0.689 121.118 120.400 0.049 0.000 2.295 501 K HA 0.485 4.805 4.320 -0.001 0.000 0.270 501 K C 0.181 177.080 176.600 0.498 0.000 1.011 501 K CA 0.321 56.732 56.287 0.206 0.000 0.953 501 K CB 0.355 32.909 32.500 0.090 0.000 0.956 501 K HN 0.210 nan 8.250 nan 0.000 0.477 502 F N -0.369 119.762 119.950 0.301 0.000 2.685 502 F HA 0.637 5.163 4.527 -0.001 0.000 0.315 502 F C -1.013 174.903 175.800 0.195 0.000 1.126 502 F CA -1.510 56.691 58.000 0.335 0.000 0.950 502 F CB 0.721 39.918 39.000 0.330 0.000 1.360 502 F HN 0.438 nan 8.300 nan 0.000 0.469 503 I N -1.265 119.414 120.570 0.181 0.000 3.108 503 I HA 0.694 4.863 4.170 -0.001 0.000 0.312 503 I C -1.347 174.924 176.117 0.257 0.000 1.095 503 I CA -0.847 60.410 61.300 -0.072 0.000 1.000 503 I CB 1.923 39.694 38.000 -0.382 0.000 1.229 503 I HN 0.431 nan 8.210 nan 0.000 0.454 504 D N 2.319 122.850 120.400 0.218 0.000 2.177 504 D HA 0.498 5.137 4.640 -0.001 0.000 0.247 504 D C -1.095 175.322 176.300 0.195 0.000 1.063 504 D CA 0.081 54.304 54.000 0.372 0.000 0.867 504 D CB 2.071 43.115 40.800 0.408 0.000 1.168 504 D HN 0.346 nan 8.370 nan 0.000 0.445 505 L N 3.801 125.164 121.223 0.234 0.000 2.335 505 L HA 0.319 4.658 4.340 -0.001 0.000 0.268 505 L C -0.657 176.240 176.870 0.044 0.000 1.037 505 L CA -0.334 54.617 54.840 0.185 0.000 0.895 505 L CB -0.265 41.989 42.059 0.325 0.000 1.266 505 L HN 0.455 nan 8.230 nan 0.000 0.439 506 N N -0.997 117.697 118.700 -0.010 0.000 3.277 506 N HA 0.282 5.022 4.740 -0.001 0.000 0.278 506 N C 0.287 175.737 175.510 -0.100 0.000 1.544 506 N CA -0.169 52.807 53.050 -0.123 0.000 0.869 506 N CB 0.501 38.958 38.487 -0.050 0.000 1.584 506 N HN 0.018 nan 8.380 nan 0.000 0.564 507 T N -3.378 111.091 114.554 -0.142 0.000 3.284 507 T HA 0.177 4.526 4.350 -0.001 0.000 0.252 507 T C -0.268 174.432 174.700 0.000 0.000 1.144 507 T CA 0.315 62.362 62.100 -0.088 0.000 1.021 507 T CB -0.756 68.052 68.868 -0.100 0.000 0.984 507 T HN 0.495 nan 8.240 nan 0.000 0.545 508 E N 1.576 121.790 120.200 0.024 0.000 2.235 508 E HA 0.415 4.765 4.350 -0.001 0.000 0.265 508 E C -2.720 173.907 176.600 0.045 0.000 0.940 508 E CA -2.952 53.473 56.400 0.042 0.000 0.819 508 E CB 0.918 30.653 29.700 0.058 0.000 1.206 508 E HN 0.100 nan 8.360 nan 0.000 0.409 509 P HA -0.133 nan 4.420 nan 0.000 0.258 509 P C -0.251 177.074 177.300 0.043 0.000 1.172 509 P CA 0.644 63.769 63.100 0.042 0.000 0.762 509 P CB 0.241 31.962 31.700 0.036 0.000 0.764 510 M N 3.361 122.991 119.600 0.049 0.000 2.226 510 M HA -0.102 4.377 4.480 -0.001 0.000 0.352 510 M C 0.177 176.468 176.300 -0.015 0.000 1.226 510 M CA 1.303 56.624 55.300 0.034 0.000 0.943 510 M CB 0.035 32.672 32.600 0.061 0.000 1.805 510 M HN 0.252 nan 8.290 nan 0.000 0.465 511 K N 2.973 123.328 120.400 -0.075 0.000 2.464 511 K HA 0.629 4.948 4.320 -0.001 0.000 0.253 511 K C -1.834 174.462 176.600 -0.508 0.000 0.933 511 K CA -0.816 55.339 56.287 -0.220 0.000 0.801 511 K CB 2.272 34.695 32.500 -0.129 0.000 1.271 511 K HN 0.525 nan 8.250 nan 0.000 0.430 512 V N 4.295 123.855 119.914 -0.590 0.000 2.513 512 V HA 0.486 4.605 4.120 -0.001 0.000 0.299 512 V C -0.390 175.171 176.094 -0.889 0.000 1.035 512 V CA -0.694 61.222 62.300 -0.641 0.000 0.889 512 V CB 1.465 33.129 31.823 -0.266 0.000 0.988 512 V HN 0.789 nan 8.190 nan 0.000 0.440 513 H N 2.837 121.544 119.070 -0.605 0.000 2.906 513 H HA 0.680 5.236 4.556 -0.001 0.000 0.337 513 H C -1.172 173.875 175.328 -0.468 0.000 1.257 513 H CA -0.900 54.809 56.048 -0.565 0.000 1.192 513 H CB 2.240 31.591 29.762 -0.685 0.000 1.912 513 H HN 0.546 nan 8.280 nan 0.000 0.573 514 Q N 0.033 119.875 119.800 0.070 0.000 2.456 514 Q HA 0.378 4.718 4.340 -0.001 0.000 0.283 514 Q C -0.752 175.487 176.000 0.399 0.000 1.084 514 Q CA -0.997 54.951 55.803 0.242 0.000 0.801 514 Q CB 2.904 31.707 28.738 0.110 0.000 1.434 514 Q HN 0.467 nan 8.270 nan 0.000 0.419 515 R N 0.980 121.705 120.500 0.375 0.000 3.059 515 R HA -0.208 4.131 4.340 -0.001 0.000 0.251 515 R C -0.641 175.804 176.300 0.241 0.000 0.886 515 R CA -0.097 56.168 56.100 0.274 0.000 0.634 515 R CB -1.361 29.042 30.300 0.172 0.000 1.282 515 R HN 0.422 nan 8.270 nan 0.000 0.487 516 L N 2.654 123.962 121.223 0.140 0.000 2.678 516 L HA 0.032 4.372 4.340 -0.001 0.000 0.276 516 L C 0.629 177.437 176.870 -0.104 0.000 1.142 516 L CA 0.625 55.305 54.840 -0.266 0.000 0.961 516 L CB -0.199 41.303 42.059 -0.928 0.000 1.291 516 L HN 0.493 nan 8.230 nan 0.000 0.476 517 R N 2.147 122.618 120.500 -0.048 0.000 3.423 517 R HA -0.170 4.169 4.340 -0.001 0.000 0.271 517 R C 1.048 177.406 176.300 0.097 0.000 1.093 517 R CA 0.636 56.754 56.100 0.031 0.000 0.730 517 R CB -2.485 27.846 30.300 0.052 0.000 1.190 517 R HN 0.691 nan 8.270 nan 0.000 0.437 518 V N -1.297 118.675 119.914 0.096 0.000 2.233 518 V HA -0.336 3.784 4.120 -0.001 0.000 0.247 518 V C 2.529 178.697 176.094 0.124 0.000 1.050 518 V CA 1.816 64.187 62.300 0.117 0.000 1.010 518 V CB -0.417 31.468 31.823 0.103 0.000 0.637 518 V HN 0.264 nan 8.190 nan 0.000 0.444 519 Q N -0.363 119.489 119.800 0.087 0.000 1.998 519 Q HA -0.226 4.113 4.340 -0.001 0.000 0.209 519 Q C 2.304 178.371 176.000 0.111 0.000 1.002 519 Q CA 2.106 57.946 55.803 0.062 0.000 0.858 519 Q CB -0.571 28.168 28.738 0.002 0.000 0.932 519 Q HN 0.531 nan 8.270 nan 0.000 0.416 520 M N -0.812 118.871 119.600 0.138 0.000 2.213 520 M HA -0.126 4.354 4.480 -0.001 0.000 0.263 520 M C 2.364 178.979 176.300 0.525 0.000 1.062 520 M CA 0.863 56.336 55.300 0.289 0.000 1.105 520 M CB -1.183 31.623 32.600 0.344 0.000 1.385 520 M HN 0.257 nan 8.290 nan 0.000 0.417 521 c N -0.751 118.078 118.600 0.381 0.000 2.485 521 c HA 0.014 4.584 4.570 -0.001 0.000 0.277 521 c C 2.857 177.134 174.090 0.311 0.000 1.376 521 c CA 0.114 56.673 56.329 0.383 0.000 1.759 521 c CB -0.644 42.021 42.510 0.258 0.000 1.970 521 c HN 0.307 nan 8.230 nan 0.000 0.509 522 V N 0.708 120.770 119.914 0.247 0.000 2.515 522 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 522 V C 1.997 178.221 176.094 0.216 0.000 1.058 522 V CA 2.112 64.531 62.300 0.199 0.000 1.064 522 V CB -0.777 31.137 31.823 0.152 0.000 0.675 522 V HN 0.597 nan 8.190 nan 0.000 0.461 523 F N -0.307 119.702 119.950 0.099 0.000 2.128 523 F HA -0.114 4.413 4.527 -0.001 0.000 0.295 523 F C 1.986 177.797 175.800 0.018 0.000 1.100 523 F CA 1.372 59.393 58.000 0.035 0.000 1.260 523 F CB -0.368 38.550 39.000 -0.137 0.000 1.009 523 F HN 0.133 nan 8.300 nan 0.000 0.476 524 W N 0.910 122.244 121.300 0.056 0.000 2.409 524 W HA -0.123 4.536 4.660 -0.001 0.000 0.299 524 W C 2.263 178.736 176.519 -0.076 0.000 1.203 524 W CA 1.000 58.316 57.345 -0.048 0.000 1.298 524 W CB -0.470 29.106 29.460 0.194 0.000 1.127 524 W HN -0.043 nan 8.180 nan 0.000 0.528 525 N N -0.420 118.409 118.700 0.215 0.000 2.333 525 N HA -0.066 4.674 4.740 -0.001 0.000 0.178 525 N C 1.389 176.913 175.510 0.023 0.000 1.018 525 N CA 1.230 54.325 53.050 0.076 0.000 0.882 525 N CB -0.257 38.302 38.487 0.120 0.000 0.984 525 N HN 0.388 nan 8.380 nan 0.000 0.434 526 Q N -1.011 118.821 119.800 0.054 0.000 2.622 526 Q HA 0.190 4.529 4.340 -0.001 0.000 0.208 526 Q C 1.426 177.434 176.000 0.012 0.000 0.911 526 Q CA -0.179 55.653 55.803 0.049 0.000 0.893 526 Q CB -0.170 28.633 28.738 0.108 0.000 1.124 526 Q HN 0.086 nan 8.270 nan 0.000 0.634 527 F N 2.031 121.914 119.950 -0.111 0.000 2.026 527 F HA -0.261 4.265 4.527 -0.001 0.000 0.296 527 F C 2.013 177.662 175.800 -0.251 0.000 1.133 527 F CA 1.322 59.235 58.000 -0.145 0.000 1.188 527 F CB -0.475 38.475 39.000 -0.084 0.000 0.968 527 F HN 0.073 nan 8.300 nan 0.000 0.476 528 L N 1.072 121.933 121.223 -0.603 0.000 1.990 528 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 528 L C -0.774 175.852 176.870 -0.406 0.000 1.072 528 L CA 2.402 56.837 54.840 -0.675 0.000 0.755 528 L CB -2.044 39.499 42.059 -0.859 0.000 0.889 528 L HN 0.048 nan 8.230 nan 0.000 0.432 529 P HA -0.215 nan 4.420 nan 0.000 0.216 529 P C 1.466 178.662 177.300 -0.174 0.000 1.150 529 P CA 1.719 64.733 63.100 -0.143 0.000 0.837 529 P CB -0.082 31.562 31.700 -0.093 0.000 0.786 530 K N -0.283 119.982 120.400 -0.226 0.000 2.097 530 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 530 K C 2.042 178.475 176.600 -0.278 0.000 1.050 530 K CA 0.928 57.090 56.287 -0.209 0.000 0.938 530 K CB -0.760 31.630 32.500 -0.184 0.000 0.718 530 K HN 0.048 nan 8.250 nan 0.000 0.442 531 L N 0.908 121.849 121.223 -0.470 0.000 1.988 531 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 531 L C 2.164 178.890 176.870 -0.241 0.000 1.071 531 L CA 1.223 55.800 54.840 -0.438 0.000 0.744 531 L CB -0.287 41.374 42.059 -0.663 0.000 0.893 531 L HN 0.250 nan 8.230 nan 0.000 0.433 532 L N 0.249 121.343 121.223 -0.214 0.000 2.081 532 L HA -0.292 4.047 4.340 -0.001 0.000 0.212 532 L C 2.302 179.119 176.870 -0.087 0.000 1.080 532 L CA 1.978 56.745 54.840 -0.122 0.000 0.754 532 L CB -0.822 41.191 42.059 -0.076 0.000 0.893 532 L HN 0.520 nan 8.230 nan 0.000 0.433 533 N N -0.028 118.614 118.700 -0.096 0.000 2.171 533 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 533 N C 1.854 177.325 175.510 -0.064 0.000 1.021 533 N CA 1.258 54.268 53.050 -0.067 0.000 0.854 533 N CB -0.025 38.423 38.487 -0.065 0.000 0.994 533 N HN 0.229 nan 8.380 nan 0.000 0.426 534 A N -0.313 122.457 122.820 -0.085 0.000 1.902 534 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 534 A C 1.446 178.998 177.584 -0.053 0.000 1.181 534 A CA 1.768 53.765 52.037 -0.066 0.000 0.623 534 A CB -1.307 17.645 19.000 -0.080 0.000 0.818 534 A HN 0.594 nan 8.150 nan 0.000 0.443 535 T N 0.000 114.515 114.554 -0.065 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 535 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658