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 1cow_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 2.682 123.084 120.400 0.004 0.000 2.382 20 D HA 0.256 4.896 4.640 0.000 0.000 0.259 20 D C 1.126 177.428 176.300 0.004 0.000 1.224 20 D CA 1.303 55.305 54.000 0.004 0.000 0.894 20 D CB 0.846 41.649 40.800 0.005 0.000 1.127 20 D HN 0.536 nan 8.370 nan 0.000 0.487 21 T N -0.328 114.228 114.554 0.004 0.000 3.266 21 T HA 0.078 4.428 4.350 0.000 0.000 0.278 21 T C 1.431 176.132 174.700 0.002 0.000 1.010 21 T CA -0.001 62.100 62.100 0.003 0.000 0.909 21 T CB -0.188 68.681 68.868 0.002 0.000 1.122 21 T HN 0.216 nan 8.240 nan 0.000 0.536 22 S N 0.631 116.333 115.700 0.003 0.000 2.436 22 S HA 0.067 4.537 4.470 0.000 0.000 0.228 22 S C 1.001 175.601 174.600 0.000 0.000 1.014 22 S CA 0.081 58.282 58.200 0.001 0.000 0.950 22 S CB -0.363 62.839 63.200 0.002 0.000 0.784 22 S HN 0.352 nan 8.310 nan 0.000 0.504 23 V N 4.314 124.230 119.914 0.003 0.000 2.622 23 V HA 0.236 4.356 4.120 0.000 0.000 0.296 23 V C -0.422 175.676 176.094 0.008 0.000 1.174 23 V CA -0.828 61.475 62.300 0.005 0.000 1.391 23 V CB -0.522 31.306 31.823 0.009 0.000 1.553 23 V HN 0.532 nan 8.190 nan 0.000 0.581 24 D N 0.625 121.027 120.400 0.003 0.000 2.313 24 D HA 0.125 4.765 4.640 0.000 0.000 0.247 24 D C 0.810 177.110 176.300 -0.000 0.000 1.094 24 D CA -0.616 53.386 54.000 0.004 0.000 0.925 24 D CB 1.969 42.768 40.800 -0.001 0.000 1.188 24 D HN 0.219 nan 8.370 nan 0.000 0.430 25 L N 0.473 121.697 121.223 0.002 0.000 2.713 25 L HA 0.044 4.384 4.340 0.000 0.000 0.245 25 L C 1.420 178.269 176.870 -0.034 0.000 1.169 25 L CA 0.313 55.146 54.840 -0.013 0.000 0.962 25 L CB -0.508 41.546 42.059 -0.008 0.000 1.161 25 L HN 0.427 nan 8.230 nan 0.000 0.427 26 E N -0.465 119.720 120.200 -0.026 0.000 2.330 26 E HA -0.009 4.341 4.350 0.000 0.000 0.200 26 E C 1.184 177.765 176.600 -0.032 0.000 0.922 26 E CA 0.205 56.587 56.400 -0.030 0.000 0.935 26 E CB 0.551 30.238 29.700 -0.022 0.000 0.917 26 E HN 0.344 nan 8.360 nan 0.000 0.491 27 E N 0.461 120.644 120.200 -0.028 0.000 2.511 27 E HA 0.054 4.404 4.350 0.000 0.000 0.209 27 E C 0.498 177.075 176.600 -0.039 0.000 0.986 27 E CA 0.428 56.810 56.400 -0.031 0.000 0.974 27 E CB 1.341 31.028 29.700 -0.023 0.000 1.030 27 E HN 0.180 nan 8.360 nan 0.000 0.490 28 T N -2.384 112.147 114.554 -0.038 0.000 2.883 28 T HA 0.779 5.129 4.350 0.000 0.000 0.296 28 T C 0.197 174.874 174.700 -0.039 0.000 1.117 28 T CA -0.564 61.511 62.100 -0.043 0.000 1.006 28 T CB 2.608 71.460 68.868 -0.026 0.000 1.191 28 T HN -0.007 nan 8.240 nan 0.000 0.508 29 G N 0.077 108.854 108.800 -0.038 0.000 2.721 29 G HA2 0.714 4.674 3.960 0.000 0.000 0.296 29 G HA3 0.714 4.674 3.960 0.000 0.000 0.296 29 G C -1.773 173.143 174.900 0.026 0.000 1.383 29 G CA -1.154 43.941 45.100 -0.008 0.000 0.788 29 G HN 0.809 nan 8.290 nan 0.000 0.500 30 R N -0.557 119.995 120.500 0.086 0.000 2.574 30 R HA 0.479 4.819 4.340 0.000 0.000 0.288 30 R C -0.827 175.537 176.300 0.107 0.000 1.004 30 R CA -0.739 55.413 56.100 0.086 0.000 0.895 30 R CB 2.653 33.000 30.300 0.079 0.000 1.191 30 R HN 0.347 nan 8.270 nan 0.000 0.444 31 V N 5.465 125.447 119.914 0.113 0.000 2.475 31 V HA -0.093 4.028 4.120 0.000 0.000 0.292 31 V C 1.640 177.784 176.094 0.084 0.000 1.003 31 V CA 0.744 63.119 62.300 0.125 0.000 1.120 31 V CB 0.143 32.056 31.823 0.150 0.000 0.937 31 V HN 0.763 nan 8.190 nan 0.000 0.476 32 L N 3.981 125.254 121.223 0.083 0.000 2.131 32 L HA 0.081 4.422 4.340 0.000 0.000 0.206 32 L C 0.958 177.847 176.870 0.032 0.000 1.087 32 L CA 1.108 55.979 54.840 0.051 0.000 0.767 32 L CB 0.050 42.147 42.059 0.063 0.000 0.917 32 L HN 0.897 nan 8.230 nan 0.000 0.441 33 S N -1.306 114.417 115.700 0.038 0.000 2.578 33 S HA 0.590 5.060 4.470 0.000 0.000 0.272 33 S C -1.163 173.447 174.600 0.017 0.000 1.145 33 S CA -0.880 57.332 58.200 0.020 0.000 0.835 33 S CB 2.423 65.630 63.200 0.012 0.000 1.104 33 S HN -0.010 nan 8.310 nan 0.000 0.458 34 I N -0.054 120.514 120.570 -0.003 0.000 2.752 34 I HA 0.909 5.079 4.170 0.000 0.000 0.295 34 I C -0.512 175.585 176.117 -0.034 0.000 1.219 34 I CA 0.260 61.544 61.300 -0.025 0.000 1.030 34 I CB 1.673 39.646 38.000 -0.045 0.000 1.259 34 I HN 1.446 nan 8.210 nan 0.000 0.423 35 G N 4.380 113.154 108.800 -0.043 0.000 2.633 35 G HA2 0.438 4.398 3.960 0.000 0.000 0.299 35 G HA3 0.438 4.398 3.960 0.000 0.000 0.299 35 G C -1.126 173.747 174.900 -0.046 0.000 1.501 35 G CA -0.415 44.661 45.100 -0.040 0.000 0.887 35 G HN 0.727 nan 8.290 nan 0.000 0.561 36 D N -0.139 120.235 120.400 -0.044 0.000 2.882 36 D HA -0.190 4.451 4.640 0.000 0.000 0.229 36 D C 1.676 177.943 176.300 -0.054 0.000 1.167 36 D CA 2.967 56.940 54.000 -0.044 0.000 0.759 36 D CB -1.096 39.681 40.800 -0.039 0.000 1.088 36 D HN 2.240 nan 8.370 nan 0.000 0.425 37 G N -1.219 107.538 108.800 -0.071 0.000 2.159 37 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 37 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 37 G C 0.133 174.975 174.900 -0.096 0.000 0.977 37 G CA 0.271 45.316 45.100 -0.092 0.000 0.652 37 G HN 0.442 nan 8.290 nan 0.000 0.531 38 I N 1.373 121.898 120.570 -0.074 0.000 2.382 38 I HA 0.702 4.872 4.170 0.000 0.000 0.286 38 I C 0.458 176.556 176.117 -0.031 0.000 1.002 38 I CA -0.431 60.836 61.300 -0.055 0.000 1.135 38 I CB 1.734 39.707 38.000 -0.046 0.000 1.288 38 I HN 0.384 nan 8.210 nan 0.000 0.448 39 A N 6.880 129.703 122.820 0.005 0.000 2.305 39 A HA 0.761 5.081 4.320 0.000 0.000 0.322 39 A C -0.107 177.520 177.584 0.071 0.000 1.187 39 A CA -0.714 51.359 52.037 0.059 0.000 0.825 39 A CB 0.654 19.768 19.000 0.190 0.000 1.164 39 A HN 0.540 nan 8.150 nan 0.000 0.498 40 R N 2.649 123.186 120.500 0.063 0.000 2.471 40 R HA 0.307 4.647 4.340 0.000 0.000 0.292 40 R C -0.861 175.487 176.300 0.080 0.000 1.192 40 R CA -0.283 55.851 56.100 0.056 0.000 1.257 40 R CB 0.646 30.969 30.300 0.038 0.000 1.130 40 R HN 0.517 nan 8.270 nan 0.000 0.558 41 V N 3.330 123.293 119.914 0.081 0.000 2.637 41 V HA -0.018 4.103 4.120 0.000 0.000 0.296 41 V C 1.918 178.055 176.094 0.071 0.000 1.046 41 V CA -0.148 62.199 62.300 0.078 0.000 1.066 41 V CB 1.173 33.016 31.823 0.032 0.000 0.968 41 V HN 0.704 nan 8.190 nan 0.000 0.483 42 H N 3.061 122.135 119.070 0.007 0.000 2.465 42 H HA 0.064 4.620 4.556 0.000 0.000 0.289 42 H C 1.633 176.957 175.328 -0.006 0.000 1.022 42 H CA 1.383 57.432 56.048 0.002 0.000 1.340 42 H CB 0.604 30.369 29.762 0.005 0.000 1.437 42 H HN 0.763 nan 8.280 nan 0.000 0.539 43 G N 0.749 109.436 108.800 -0.189 0.000 2.548 43 G HA2 0.103 4.063 3.960 0.000 0.000 0.221 43 G HA3 0.103 4.063 3.960 0.000 0.000 0.221 43 G C 0.620 175.417 174.900 -0.170 0.000 1.796 43 G CA 0.153 45.105 45.100 -0.248 0.000 0.889 43 G HN 0.402 nan 8.290 nan 0.000 0.599 44 L N 0.724 121.886 121.223 -0.101 0.000 3.829 44 L HA -0.198 4.142 4.340 0.000 0.000 0.440 44 L C 2.030 178.855 176.870 -0.075 0.000 1.192 44 L CA -0.375 54.416 54.840 -0.080 0.000 0.848 44 L CB -0.614 41.398 42.059 -0.078 0.000 1.744 44 L HN 0.240 nan 8.230 nan 0.000 0.920 45 R N 0.532 120.986 120.500 -0.076 0.000 2.159 45 R HA -0.078 4.262 4.340 0.000 0.000 0.237 45 R C 1.262 177.536 176.300 -0.043 0.000 1.131 45 R CA 1.326 57.388 56.100 -0.063 0.000 0.982 45 R CB -0.283 29.981 30.300 -0.060 0.000 0.868 45 R HN 0.610 nan 8.270 nan 0.000 0.453 46 N N 0.261 118.938 118.700 -0.037 0.000 2.238 46 N HA 0.041 4.781 4.740 0.000 0.000 0.222 46 N C 0.021 175.516 175.510 -0.025 0.000 1.133 46 N CA -0.025 53.009 53.050 -0.027 0.000 0.854 46 N CB 0.698 39.173 38.487 -0.021 0.000 1.041 46 N HN -0.050 nan 8.380 nan 0.000 0.510 47 V N -0.475 119.421 119.914 -0.030 0.000 3.051 47 V HA 0.208 4.329 4.120 0.000 0.000 0.306 47 V C 0.401 176.486 176.094 -0.014 0.000 1.083 47 V CA -0.671 61.615 62.300 -0.024 0.000 1.104 47 V CB 0.667 32.472 31.823 -0.030 0.000 1.027 47 V HN 0.060 nan 8.190 nan 0.000 0.483 48 Q N 1.338 121.134 119.800 -0.006 0.000 2.266 48 Q HA 0.707 5.047 4.340 0.000 0.000 0.261 48 Q C -0.118 175.886 176.000 0.006 0.000 0.985 48 Q CA -0.753 55.050 55.803 0.000 0.000 0.873 48 Q CB 1.927 30.668 28.738 0.004 0.000 1.306 48 Q HN 1.072 nan 8.270 nan 0.000 0.447 49 A N 1.680 124.506 122.820 0.009 0.000 2.540 49 A HA -0.003 4.317 4.320 0.000 0.000 0.239 49 A C 0.305 177.904 177.584 0.023 0.000 1.061 49 A CA 0.538 52.584 52.037 0.016 0.000 0.758 49 A CB -0.238 18.773 19.000 0.018 0.000 0.991 49 A HN 0.992 nan 8.150 nan 0.000 0.502 50 E N -0.963 119.257 120.200 0.032 0.000 3.927 50 E HA -0.198 4.152 4.350 0.000 0.000 0.330 50 E C 0.264 176.897 176.600 0.055 0.000 0.751 50 E CA 1.298 57.726 56.400 0.048 0.000 1.254 50 E CB -1.214 28.509 29.700 0.038 0.000 1.643 50 E HN 0.923 nan 8.360 nan 0.000 0.430 51 E N 0.495 120.720 120.200 0.041 0.000 2.318 51 E HA 0.401 4.751 4.350 0.000 0.000 0.265 51 E C -0.209 176.427 176.600 0.060 0.000 1.069 51 E CA -0.413 56.011 56.400 0.041 0.000 0.893 51 E CB 0.886 30.597 29.700 0.018 0.000 1.076 51 E HN 0.114 nan 8.360 nan 0.000 0.414 52 M N 4.089 123.731 119.600 0.071 0.000 2.233 52 M HA 0.272 4.752 4.480 0.000 0.000 0.355 52 M C -0.875 175.448 176.300 0.038 0.000 1.191 52 M CA -0.547 54.812 55.300 0.099 0.000 1.101 52 M CB 1.068 33.747 32.600 0.132 0.000 1.592 52 M HN 0.409 nan 8.290 nan 0.000 0.461 53 V N 1.546 121.469 119.914 0.014 0.000 3.113 53 V HA 0.754 4.874 4.120 0.000 0.000 0.316 53 V C -1.167 174.865 176.094 -0.103 0.000 1.125 53 V CA -0.768 61.478 62.300 -0.090 0.000 1.026 53 V CB 2.072 33.775 31.823 -0.201 0.000 1.080 53 V HN 0.920 nan 8.190 nan 0.000 0.444 54 E N 0.792 120.880 120.200 -0.187 0.000 2.288 54 E HA 0.624 4.974 4.350 0.000 0.000 0.268 54 E C -1.826 174.605 176.600 -0.280 0.000 0.885 54 E CA -0.483 55.851 56.400 -0.110 0.000 0.767 54 E CB 2.584 32.278 29.700 -0.010 0.000 1.220 54 E HN 0.584 nan 8.360 nan 0.000 0.427 55 F N 0.636 120.605 119.950 0.031 0.000 2.440 55 F HA 0.136 4.663 4.527 0.000 0.000 0.328 55 F C 1.654 177.467 175.800 0.023 0.000 1.070 55 F CA -0.336 57.678 58.000 0.023 0.000 1.011 55 F CB 1.650 40.663 39.000 0.021 0.000 1.226 55 F HN 0.477 nan 8.300 nan 0.000 0.491 56 S N -0.242 115.581 115.700 0.205 0.000 2.392 56 S HA -0.251 4.219 4.470 0.000 0.000 0.232 56 S C 1.691 176.359 174.600 0.113 0.000 1.041 56 S CA 1.734 60.005 58.200 0.120 0.000 1.026 56 S CB -0.806 62.454 63.200 0.100 0.000 0.845 56 S HN 0.674 nan 8.310 nan 0.000 0.465 57 S N 0.936 116.720 115.700 0.140 0.000 2.727 57 S HA 0.375 4.845 4.470 0.000 0.000 0.226 57 S C 1.537 176.199 174.600 0.103 0.000 0.963 57 S CA 0.366 58.626 58.200 0.099 0.000 0.950 57 S CB -0.755 62.486 63.200 0.068 0.000 0.779 57 S HN 0.973 nan 8.310 nan 0.000 0.532 58 G N 0.208 109.081 108.800 0.121 0.000 2.196 58 G HA2 -0.273 3.687 3.960 0.000 0.000 0.268 58 G HA3 -0.273 3.687 3.960 0.000 0.000 0.268 58 G C -0.098 174.885 174.900 0.139 0.000 0.975 58 G CA 0.334 45.498 45.100 0.107 0.000 0.648 58 G HN 0.538 nan 8.290 nan 0.000 0.538 59 L N 0.799 122.135 121.223 0.189 0.000 2.331 59 L HA 0.598 4.938 4.340 0.000 0.000 0.278 59 L C 0.618 177.705 176.870 0.363 0.000 1.106 59 L CA -0.156 54.812 54.840 0.213 0.000 0.824 59 L CB 0.920 43.044 42.059 0.108 0.000 1.142 59 L HN 0.183 nan 8.230 nan 0.000 0.443 60 K N 2.172 122.765 120.400 0.322 0.000 2.118 60 K HA 0.725 5.045 4.320 0.000 0.000 0.267 60 K C -0.018 176.844 176.600 0.437 0.000 0.991 60 K CA -0.286 56.220 56.287 0.366 0.000 0.916 60 K CB 1.388 34.085 32.500 0.328 0.000 1.041 60 K HN 0.817 nan 8.250 nan 0.000 0.455 61 G N 1.117 110.134 108.800 0.361 0.000 2.949 61 G HA2 0.661 4.621 3.960 0.000 0.000 0.285 61 G HA3 0.661 4.621 3.960 0.000 0.000 0.285 61 G C -1.688 173.246 174.900 0.057 0.000 1.395 61 G CA -0.706 44.477 45.100 0.139 0.000 0.901 61 G HN 0.527 nan 8.290 nan 0.000 0.519 62 M N 0.611 120.156 119.600 -0.093 0.000 2.271 62 M HA 0.491 4.971 4.480 0.000 0.000 0.285 62 M C -0.818 175.482 176.300 -0.000 0.000 1.059 62 M CA -0.530 54.783 55.300 0.022 0.000 0.940 62 M CB 2.147 34.805 32.600 0.098 0.000 1.636 62 M HN 0.413 nan 8.290 nan 0.000 0.460 63 S N 4.214 119.926 115.700 0.021 0.000 2.686 63 S HA 0.175 4.645 4.470 0.000 0.000 0.324 63 S C 0.730 175.339 174.600 0.014 0.000 1.172 63 S CA -0.418 57.787 58.200 0.008 0.000 1.127 63 S CB -0.075 63.127 63.200 0.003 0.000 1.338 63 S HN 0.613 nan 8.310 nan 0.000 0.547 64 L N 3.824 125.049 121.223 0.004 0.000 2.200 64 L HA 0.344 4.684 4.340 0.000 0.000 0.200 64 L C 0.590 177.465 176.870 0.009 0.000 1.072 64 L CA 1.188 56.034 54.840 0.010 0.000 0.787 64 L CB -0.803 41.254 42.059 -0.003 0.000 0.957 64 L HN 0.367 nan 8.230 nan 0.000 0.459 65 N N 0.312 119.013 118.700 0.001 0.000 2.426 65 N HA 0.388 5.128 4.740 0.000 0.000 0.257 65 N C -0.951 174.559 175.510 -0.000 0.000 1.002 65 N CA 0.056 53.107 53.050 0.002 0.000 0.942 65 N CB 0.776 39.261 38.487 -0.003 0.000 1.112 65 N HN -0.023 nan 8.380 nan 0.000 0.499 66 L N 1.795 123.018 121.223 0.001 0.000 2.272 66 L HA 0.417 4.757 4.340 0.000 0.000 0.284 66 L C 0.545 177.411 176.870 -0.006 0.000 1.045 66 L CA -0.435 54.402 54.840 -0.006 0.000 0.842 66 L CB 0.591 42.646 42.059 -0.007 0.000 1.224 66 L HN 0.338 nan 8.230 nan 0.000 0.430 67 E N 3.285 123.481 120.200 -0.008 0.000 2.250 67 E HA 0.285 4.635 4.350 0.000 0.000 0.265 67 E C -1.518 175.075 176.600 -0.011 0.000 1.033 67 E CA -1.759 54.637 56.400 -0.006 0.000 0.888 67 E CB 1.438 31.137 29.700 -0.001 0.000 1.151 67 E HN 0.256 nan 8.360 nan 0.000 0.412 68 P HA -0.207 nan 4.420 nan 0.000 0.215 68 P C 0.524 177.817 177.300 -0.012 0.000 1.157 68 P CA 1.527 64.622 63.100 -0.008 0.000 0.874 68 P CB 0.125 31.825 31.700 -0.001 0.000 0.790 69 D N -2.240 118.159 120.400 -0.001 0.000 2.398 69 D HA 0.013 4.654 4.640 0.000 0.000 0.210 69 D C 0.173 176.479 176.300 0.009 0.000 1.094 69 D CA -0.070 53.936 54.000 0.010 0.000 0.839 69 D CB -0.152 40.671 40.800 0.039 0.000 0.963 69 D HN 0.315 nan 8.370 nan 0.000 0.506 70 N N -0.916 117.780 118.700 -0.007 0.000 3.185 70 N HA 0.179 4.919 4.740 0.000 0.000 0.238 70 N C -1.847 173.655 175.510 -0.012 0.000 1.451 70 N CA -0.638 52.411 53.050 -0.002 0.000 0.888 70 N CB 1.791 40.298 38.487 0.033 0.000 1.413 70 N HN -0.194 nan 8.380 nan 0.000 0.511 71 V N -0.005 119.904 119.914 -0.008 0.000 2.448 71 V HA 0.628 4.748 4.120 0.000 0.000 0.295 71 V C 0.702 176.801 176.094 0.008 0.000 1.025 71 V CA -0.658 61.636 62.300 -0.009 0.000 0.859 71 V CB 1.206 33.016 31.823 -0.022 0.000 0.988 71 V HN 0.824 nan 8.190 nan 0.000 0.431 72 G N 3.732 112.535 108.800 0.004 0.000 2.356 72 G HA2 0.505 4.465 3.960 0.000 0.000 0.300 72 G HA3 0.505 4.465 3.960 0.000 0.000 0.300 72 G C -0.622 174.281 174.900 0.006 0.000 1.107 72 G CA -0.182 44.922 45.100 0.005 0.000 0.960 72 G HN 0.538 nan 8.290 nan 0.000 0.418 73 V N 3.800 123.732 119.914 0.030 0.000 2.398 73 V HA 0.235 4.355 4.120 0.000 0.000 0.286 73 V C 0.338 176.429 176.094 -0.004 0.000 1.026 73 V CA -0.770 61.554 62.300 0.040 0.000 0.868 73 V CB 1.622 33.529 31.823 0.140 0.000 0.982 73 V HN 0.477 nan 8.190 nan 0.000 0.443 74 V N 5.960 125.821 119.914 -0.089 0.000 2.530 74 V HA 0.274 4.394 4.120 0.000 0.000 0.282 74 V C 0.063 175.975 176.094 -0.304 0.000 1.048 74 V CA -0.155 62.031 62.300 -0.191 0.000 0.997 74 V CB 1.813 33.507 31.823 -0.216 0.000 0.987 74 V HN 0.638 nan 8.190 nan 0.000 0.477 75 V N 6.019 125.767 119.914 -0.276 0.000 2.370 75 V HA 0.340 4.460 4.120 0.000 0.000 0.283 75 V C -0.107 175.845 176.094 -0.237 0.000 1.023 75 V CA -0.491 61.650 62.300 -0.265 0.000 0.857 75 V CB 1.189 32.867 31.823 -0.243 0.000 0.985 75 V HN 0.699 nan 8.190 nan 0.000 0.443 76 F N 4.455 124.453 119.950 0.080 0.000 2.668 76 F HA 0.593 5.120 4.527 0.000 0.000 0.365 76 F C 1.204 177.033 175.800 0.048 0.000 1.165 76 F CA 0.153 58.199 58.000 0.077 0.000 1.344 76 F CB -0.346 38.712 39.000 0.096 0.000 1.658 76 F HN 0.723 nan 8.300 nan 0.000 0.620 77 G N 0.087 108.968 108.800 0.136 0.000 2.327 77 G HA2 -0.024 3.936 3.960 0.000 0.000 0.291 77 G HA3 -0.024 3.936 3.960 0.000 0.000 0.291 77 G C -1.452 173.452 174.900 0.007 0.000 1.290 77 G CA -1.241 43.905 45.100 0.077 0.000 0.857 77 G HN 0.018 nan 8.290 nan 0.000 0.520 78 N N 1.676 120.375 118.700 -0.002 0.000 2.427 78 N HA 0.063 4.803 4.740 0.000 0.000 0.269 78 N C 1.190 176.656 175.510 -0.073 0.000 1.235 78 N CA 0.498 53.532 53.050 -0.027 0.000 0.934 78 N CB 0.722 39.201 38.487 -0.013 0.000 1.121 78 N HN 0.618 nan 8.380 nan 0.000 0.480 79 D N 3.389 123.731 120.400 -0.097 0.000 2.392 79 D HA -0.195 4.445 4.640 0.000 0.000 0.228 79 D C 1.121 177.354 176.300 -0.113 0.000 1.003 79 D CA 0.470 54.381 54.000 -0.149 0.000 0.917 79 D CB 0.110 40.818 40.800 -0.154 0.000 0.890 79 D HN 0.690 nan 8.370 nan 0.000 0.532 80 K N 1.081 121.437 120.400 -0.072 0.000 2.280 80 K HA -0.115 4.205 4.320 0.000 0.000 0.202 80 K C 1.875 178.445 176.600 -0.050 0.000 1.047 80 K CA 0.639 56.895 56.287 -0.051 0.000 0.942 80 K CB -0.348 32.134 32.500 -0.031 0.000 0.739 80 K HN 0.204 nan 8.250 nan 0.000 0.457 81 L N 1.184 122.370 121.223 -0.060 0.000 2.591 81 L HA 0.251 4.591 4.340 0.000 0.000 0.228 81 L C 0.491 177.328 176.870 -0.054 0.000 1.133 81 L CA -0.091 54.723 54.840 -0.043 0.000 0.880 81 L CB -0.050 41.991 42.059 -0.029 0.000 1.033 81 L HN 0.100 nan 8.230 nan 0.000 0.450 82 I N 0.187 120.699 120.570 -0.098 0.000 2.359 82 I HA 0.275 4.446 4.170 0.000 0.000 0.294 82 I C -0.102 175.987 176.117 -0.046 0.000 0.987 82 I CA -0.204 61.037 61.300 -0.099 0.000 1.225 82 I CB 1.291 39.136 38.000 -0.259 0.000 1.366 82 I HN 0.020 nan 8.210 nan 0.000 0.466 83 K N 4.475 124.875 120.400 -0.000 0.000 2.444 83 K HA 0.394 4.714 4.320 0.000 0.000 0.252 83 K C -0.832 175.785 176.600 0.028 0.000 0.993 83 K CA -1.016 55.275 56.287 0.007 0.000 0.847 83 K CB 2.008 34.514 32.500 0.010 0.000 1.340 83 K HN 0.519 nan 8.250 nan 0.000 0.446 84 E N 0.238 120.450 120.200 0.020 0.000 2.502 84 E HA -0.015 4.335 4.350 0.000 0.000 0.261 84 E C 0.518 177.137 176.600 0.032 0.000 0.974 84 E CA 1.436 57.852 56.400 0.026 0.000 0.936 84 E CB 0.100 29.808 29.700 0.012 0.000 0.926 84 E HN 0.753 nan 8.360 nan 0.000 0.459 85 G N 3.968 112.792 108.800 0.041 0.000 2.279 85 G HA2 -0.248 3.712 3.960 0.000 0.000 0.223 85 G HA3 -0.248 3.712 3.960 0.000 0.000 0.223 85 G C -0.088 174.845 174.900 0.055 0.000 1.015 85 G CA 0.065 45.188 45.100 0.037 0.000 0.621 85 G HN 0.682 nan 8.290 nan 0.000 0.506 86 D N 0.646 121.093 120.400 0.078 0.000 2.474 86 D HA 0.332 4.972 4.640 0.000 0.000 0.232 86 D C 0.655 177.008 176.300 0.089 0.000 1.177 86 D CA 0.253 54.313 54.000 0.100 0.000 0.876 86 D CB 0.550 41.449 40.800 0.165 0.000 1.208 86 D HN 0.295 nan 8.370 nan 0.000 0.464 87 I N 1.311 121.920 120.570 0.066 0.000 2.428 87 I HA 0.130 4.300 4.170 0.000 0.000 0.289 87 I C -0.403 175.698 176.117 -0.027 0.000 1.019 87 I CA -0.193 61.121 61.300 0.023 0.000 1.351 87 I CB 1.251 39.260 38.000 0.014 0.000 1.412 87 I HN 0.012 nan 8.210 nan 0.000 0.513 88 V N 6.663 126.516 119.914 -0.102 0.000 2.540 88 V HA 0.505 4.625 4.120 0.000 0.000 0.302 88 V C -0.258 175.724 176.094 -0.185 0.000 1.035 88 V CA -1.035 61.099 62.300 -0.276 0.000 0.873 88 V CB 1.598 33.175 31.823 -0.410 0.000 0.992 88 V HN 0.544 nan 8.190 nan 0.000 0.428 89 K N 3.473 123.758 120.400 -0.193 0.000 2.270 89 K HA 0.618 4.939 4.320 0.000 0.000 0.255 89 K C -0.253 176.281 176.600 -0.109 0.000 0.936 89 K CA -0.868 55.350 56.287 -0.114 0.000 0.809 89 K CB 2.534 34.990 32.500 -0.074 0.000 1.131 89 K HN 0.604 nan 8.250 nan 0.000 0.427 90 R N 0.251 120.706 120.500 -0.074 0.000 2.893 90 R HA 0.064 4.404 4.340 0.000 0.000 0.279 90 R C 0.681 176.959 176.300 -0.037 0.000 1.076 90 R CA 0.122 56.190 56.100 -0.055 0.000 1.203 90 R CB 0.259 30.536 30.300 -0.038 0.000 1.137 90 R HN 0.566 nan 8.270 nan 0.000 0.541 91 T N -0.947 113.596 114.554 -0.020 0.000 2.969 91 T HA 0.168 4.518 4.350 0.000 0.000 0.258 91 T C 1.045 175.744 174.700 -0.001 0.000 0.962 91 T CA 0.448 62.545 62.100 -0.005 0.000 0.903 91 T CB 0.611 69.485 68.868 0.009 0.000 1.177 91 T HN 0.899 nan 8.240 nan 0.000 0.511 92 G N 1.825 110.623 108.800 -0.003 0.000 2.212 92 G HA2 -0.150 3.810 3.960 0.000 0.000 0.266 92 G HA3 -0.150 3.810 3.960 0.000 0.000 0.266 92 G C 0.210 175.113 174.900 0.005 0.000 0.978 92 G CA 0.225 45.324 45.100 -0.001 0.000 0.632 92 G HN 0.948 nan 8.290 nan 0.000 0.537 93 A N 0.794 123.620 122.820 0.011 0.000 2.304 93 A HA 0.750 5.070 4.320 0.000 0.000 0.323 93 A C 0.451 178.049 177.584 0.025 0.000 1.195 93 A CA -0.709 51.337 52.037 0.016 0.000 0.826 93 A CB 0.778 19.787 19.000 0.015 0.000 1.184 93 A HN 0.517 nan 8.150 nan 0.000 0.496 94 I N 2.631 123.214 120.570 0.022 0.000 2.692 94 I HA 0.031 4.201 4.170 0.000 0.000 0.284 94 I C 0.617 176.753 176.117 0.031 0.000 1.159 94 I CA 0.101 61.418 61.300 0.028 0.000 1.423 94 I CB 0.697 38.709 38.000 0.020 0.000 1.380 94 I HN 0.390 nan 8.210 nan 0.000 0.580 95 V N 6.443 126.384 119.914 0.046 0.000 2.726 95 V HA -0.098 4.022 4.120 0.000 0.000 0.304 95 V C 0.220 176.318 176.094 0.007 0.000 1.115 95 V CA 0.465 62.789 62.300 0.039 0.000 1.264 95 V CB -0.443 31.419 31.823 0.066 0.000 0.867 95 V HN 0.976 nan 8.190 nan 0.000 0.498 96 D N 3.115 123.510 120.400 -0.007 0.000 2.759 96 D HA 0.769 5.409 4.640 0.000 0.000 0.321 96 D C -0.731 175.552 176.300 -0.027 0.000 1.267 96 D CA -0.442 53.551 54.000 -0.012 0.000 0.933 96 D CB 2.088 42.886 40.800 -0.003 0.000 1.431 96 D HN 0.660 nan 8.370 nan 0.000 0.504 97 V N -5.804 114.097 119.914 -0.023 0.000 3.204 97 V HA 0.679 4.799 4.120 0.000 0.000 0.298 97 V C -2.963 173.112 176.094 -0.031 0.000 1.328 97 V CA -2.093 60.189 62.300 -0.031 0.000 1.035 97 V CB 1.548 33.351 31.823 -0.033 0.000 1.095 97 V HN 0.592 nan 8.190 nan 0.000 0.442 98 P HA 0.244 nan 4.420 nan 0.000 0.266 98 P C -0.614 176.640 177.300 -0.077 0.000 1.186 98 P CA 0.419 63.484 63.100 -0.058 0.000 0.767 98 P CB 0.882 32.549 31.700 -0.056 0.000 0.820 99 V N 1.259 121.092 119.914 -0.135 0.000 3.147 99 V HA 0.824 4.944 4.120 0.000 0.000 0.306 99 V C 0.156 175.955 176.094 -0.492 0.000 1.209 99 V CA 0.436 62.611 62.300 -0.208 0.000 1.023 99 V CB 2.108 33.870 31.823 -0.101 0.000 1.059 99 V HN 1.049 nan 8.190 nan 0.000 0.435 100 G N 2.429 110.691 108.800 -0.897 0.000 2.479 100 G HA2 -0.061 3.899 3.960 0.000 0.000 0.686 100 G HA3 -0.061 3.899 3.960 0.000 0.000 0.686 100 G C 0.076 174.512 174.900 -0.772 0.000 1.295 100 G CA 0.186 44.371 45.100 -1.525 0.000 0.922 100 G HN 0.778 nan 8.290 nan 0.000 0.582 101 E N -0.201 119.601 120.200 -0.664 0.000 2.219 101 E HA -0.125 4.225 4.350 0.000 0.000 0.198 101 E C 2.175 178.711 176.600 -0.107 0.000 0.998 101 E CA 1.899 58.163 56.400 -0.226 0.000 0.818 101 E CB 0.003 29.623 29.700 -0.132 0.000 0.741 101 E HN 0.580 nan 8.360 nan 0.000 0.477 102 E N 0.055 120.162 120.200 -0.155 0.000 2.118 102 E HA -0.188 4.162 4.350 0.000 0.000 0.195 102 E C 1.816 178.389 176.600 -0.044 0.000 0.992 102 E CA 0.817 57.167 56.400 -0.083 0.000 0.804 102 E CB -0.104 29.541 29.700 -0.093 0.000 0.741 102 E HN 0.280 nan 8.360 nan 0.000 0.458 103 L N 0.364 121.558 121.223 -0.049 0.000 2.201 103 L HA -0.073 4.267 4.340 0.000 0.000 0.212 103 L C 0.582 177.474 176.870 0.037 0.000 1.105 103 L CA 0.146 54.984 54.840 -0.004 0.000 0.775 103 L CB -0.600 41.459 42.059 -0.000 0.000 0.913 103 L HN 0.089 nan 8.230 nan 0.000 0.440 104 L N 0.530 121.797 121.223 0.073 0.000 2.573 104 L HA -0.018 4.322 4.340 0.000 0.000 0.290 104 L C 1.528 178.430 176.870 0.054 0.000 1.247 104 L CA 0.758 55.657 54.840 0.098 0.000 0.876 104 L CB -0.536 41.620 42.059 0.162 0.000 1.123 104 L HN 0.387 nan 8.230 nan 0.000 0.505 105 G N 1.747 110.564 108.800 0.030 0.000 2.168 105 G HA2 -0.262 3.698 3.960 0.000 0.000 0.263 105 G HA3 -0.262 3.698 3.960 0.000 0.000 0.263 105 G C 0.351 175.250 174.900 -0.002 0.000 0.977 105 G CA 0.041 45.141 45.100 -0.000 0.000 0.659 105 G HN 0.605 nan 8.290 nan 0.000 0.533 106 R N -0.854 119.650 120.500 0.008 0.000 2.803 106 R HA 0.603 4.943 4.340 0.000 0.000 0.276 106 R C -0.652 175.654 176.300 0.010 0.000 0.978 106 R CA -0.810 55.294 56.100 0.006 0.000 0.939 106 R CB 2.315 32.618 30.300 0.005 0.000 1.179 106 R HN 0.108 nan 8.270 nan 0.000 0.472 107 V N 3.187 123.106 119.914 0.009 0.000 2.328 107 V HA 0.257 4.377 4.120 0.000 0.000 0.278 107 V C 0.351 176.455 176.094 0.017 0.000 1.021 107 V CA -0.671 61.640 62.300 0.018 0.000 0.838 107 V CB 0.989 32.822 31.823 0.017 0.000 0.999 107 V HN 0.552 nan 8.190 nan 0.000 0.447 108 V N 1.428 121.354 119.914 0.019 0.000 2.994 108 V HA 0.796 4.916 4.120 0.000 0.000 0.318 108 V C -0.066 176.036 176.094 0.013 0.000 1.085 108 V CA -0.846 61.461 62.300 0.012 0.000 0.998 108 V CB 1.994 33.819 31.823 0.004 0.000 1.063 108 V HN 0.752 nan 8.190 nan 0.000 0.447 109 D N 1.616 122.020 120.400 0.006 0.000 2.478 109 D HA 0.435 5.075 4.640 0.000 0.000 0.274 109 D C 1.170 177.466 176.300 -0.008 0.000 1.234 109 D CA 0.005 54.009 54.000 0.007 0.000 1.069 109 D CB 0.879 41.686 40.800 0.011 0.000 1.113 109 D HN 0.795 nan 8.370 nan 0.000 0.571 110 A N -0.936 121.876 122.820 -0.014 0.000 2.178 110 A HA -0.005 4.315 4.320 0.000 0.000 0.218 110 A C 2.120 179.651 177.584 -0.088 0.000 1.157 110 A CA 0.849 52.862 52.037 -0.041 0.000 0.689 110 A CB -0.758 18.224 19.000 -0.029 0.000 0.787 110 A HN 0.512 nan 8.150 nan 0.000 0.465 111 L N -2.781 118.389 121.223 -0.087 0.000 2.664 111 L HA 0.323 4.663 4.340 0.000 0.000 0.233 111 L C 1.725 178.557 176.870 -0.063 0.000 1.113 111 L CA 0.608 55.381 54.840 -0.111 0.000 0.896 111 L CB 0.403 42.384 42.059 -0.130 0.000 1.163 111 L HN 0.514 nan 8.230 nan 0.000 0.497 112 G N -0.821 107.956 108.800 -0.040 0.000 2.481 112 G HA2 -0.224 3.736 3.960 0.000 0.000 0.200 112 G HA3 -0.224 3.736 3.960 0.000 0.000 0.200 112 G C 0.172 175.061 174.900 -0.018 0.000 1.012 112 G CA -0.591 44.492 45.100 -0.028 0.000 0.676 112 G HN 0.229 nan 8.290 nan 0.000 0.488 113 N N 2.100 120.791 118.700 -0.015 0.000 2.293 113 N HA 0.382 5.122 4.740 0.000 0.000 0.253 113 N C 0.723 176.232 175.510 -0.001 0.000 1.248 113 N CA 0.969 54.015 53.050 -0.006 0.000 0.845 113 N CB 0.810 39.297 38.487 -0.000 0.000 1.073 113 N HN 0.915 nan 8.380 nan 0.000 0.464 114 A N 1.903 124.722 122.820 -0.000 0.000 2.386 114 A HA 0.328 4.649 4.320 0.000 0.000 0.248 114 A C 1.352 178.940 177.584 0.007 0.000 1.082 114 A CA -0.364 51.674 52.037 0.002 0.000 0.789 114 A CB -0.066 18.934 19.000 0.000 0.000 1.025 114 A HN 0.826 nan 8.150 nan 0.000 0.490 115 I N -1.738 118.837 120.570 0.009 0.000 4.310 115 I HA 0.254 4.424 4.170 0.000 0.000 0.328 115 I C -0.081 176.042 176.117 0.010 0.000 1.406 115 I CA 0.005 61.312 61.300 0.012 0.000 1.174 115 I CB 0.445 38.455 38.000 0.017 0.000 1.279 115 I HN 0.451 nan 8.210 nan 0.000 0.471 116 D N 1.150 121.554 120.400 0.006 0.000 2.342 116 D HA 0.145 4.785 4.640 0.000 0.000 0.221 116 D C 1.564 177.865 176.300 0.002 0.000 1.101 116 D CA 0.222 54.224 54.000 0.003 0.000 0.837 116 D CB -0.121 40.679 40.800 0.000 0.000 0.938 116 D HN 0.384 nan 8.370 nan 0.000 0.508 117 G N 1.189 109.992 108.800 0.004 0.000 2.449 117 G HA2 -0.388 3.572 3.960 0.000 0.000 0.304 117 G HA3 -0.388 3.572 3.960 0.000 0.000 0.304 117 G C 0.599 175.500 174.900 0.001 0.000 0.962 117 G CA 0.563 45.665 45.100 0.003 0.000 0.943 117 G HN 0.462 nan 8.290 nan 0.000 0.514 118 K N -0.066 120.334 120.400 0.001 0.000 2.593 118 K HA 0.473 4.793 4.320 0.000 0.000 0.208 118 K C 1.199 177.798 176.600 -0.001 0.000 1.051 118 K CA 0.325 56.611 56.287 -0.001 0.000 1.111 118 K CB 0.187 32.686 32.500 -0.001 0.000 0.849 118 K HN 1.315 nan 8.250 nan 0.000 0.479 119 G N 2.027 110.826 108.800 -0.000 0.000 2.707 119 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 119 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 119 G C -2.857 172.042 174.900 -0.003 0.000 1.315 119 G CA -1.320 43.779 45.100 -0.001 0.000 0.832 119 G HN 0.021 nan 8.290 nan 0.000 0.573 120 P HA 0.457 nan 4.420 nan 0.000 0.272 120 P C 0.453 177.746 177.300 -0.011 0.000 1.240 120 P CA -0.505 62.591 63.100 -0.007 0.000 0.791 120 P CB 0.404 32.100 31.700 -0.007 0.000 0.978 121 I N 0.512 121.072 120.570 -0.017 0.000 2.472 121 I HA 0.185 4.355 4.170 0.000 0.000 0.290 121 I C 1.536 177.635 176.117 -0.030 0.000 1.016 121 I CA -0.069 61.216 61.300 -0.025 0.000 1.348 121 I CB 0.505 38.486 38.000 -0.032 0.000 1.417 121 I HN 0.472 nan 8.210 nan 0.000 0.521 122 G N 4.220 112.999 108.800 -0.035 0.000 3.574 122 G HA2 0.132 4.092 3.960 0.000 0.000 0.262 122 G HA3 0.132 4.092 3.960 0.000 0.000 0.262 122 G C 0.400 175.268 174.900 -0.053 0.000 1.231 122 G CA -0.208 44.870 45.100 -0.037 0.000 1.608 122 G HN 0.551 nan 8.290 nan 0.000 0.628 123 S N -0.133 115.531 115.700 -0.060 0.000 2.549 123 S HA 0.172 4.642 4.470 0.000 0.000 0.283 123 S C 1.052 175.614 174.600 -0.064 0.000 1.320 123 S CA -0.026 58.126 58.200 -0.080 0.000 1.058 123 S CB 1.370 64.518 63.200 -0.086 0.000 0.882 123 S HN 0.545 nan 8.310 nan 0.000 0.498 124 K N 0.919 121.275 120.400 -0.075 0.000 2.402 124 K HA 0.351 4.671 4.320 0.000 0.000 0.203 124 K C 0.144 176.717 176.600 -0.046 0.000 1.077 124 K CA -0.035 56.222 56.287 -0.050 0.000 1.051 124 K CB 0.837 33.312 32.500 -0.041 0.000 0.907 124 K HN 0.545 nan 8.250 nan 0.000 0.554 125 A N 1.569 124.347 122.820 -0.071 0.000 2.374 125 A HA 0.714 5.034 4.320 0.000 0.000 0.317 125 A C -0.819 176.734 177.584 -0.052 0.000 1.094 125 A CA -0.734 51.273 52.037 -0.049 0.000 0.765 125 A CB 1.227 20.196 19.000 -0.053 0.000 1.268 125 A HN 0.080 nan 8.150 nan 0.000 0.438 126 R N -0.420 120.068 120.500 -0.021 0.000 2.930 126 R HA 0.843 5.183 4.340 0.000 0.000 0.257 126 R C -1.008 175.294 176.300 0.004 0.000 1.107 126 R CA -0.968 55.122 56.100 -0.017 0.000 0.999 126 R CB 2.151 32.442 30.300 -0.014 0.000 1.209 126 R HN 0.706 nan 8.270 nan 0.000 0.486 127 R N 0.303 120.807 120.500 0.006 0.000 2.561 127 R HA 0.233 4.574 4.340 0.000 0.000 0.266 127 R C -1.460 174.849 176.300 0.015 0.000 1.091 127 R CA -0.598 55.514 56.100 0.020 0.000 0.927 127 R CB 1.322 31.643 30.300 0.035 0.000 1.240 127 R HN 0.499 nan 8.270 nan 0.000 0.449 128 R N 2.376 122.886 120.500 0.016 0.000 2.489 128 R HA 0.055 4.395 4.340 0.000 0.000 0.287 128 R C 1.352 177.660 176.300 0.013 0.000 1.053 128 R CA 0.423 56.529 56.100 0.010 0.000 1.036 128 R CB 0.675 30.981 30.300 0.009 0.000 0.966 128 R HN 0.604 nan 8.270 nan 0.000 0.432 129 V N 1.089 121.005 119.914 0.004 0.000 2.490 129 V HA -0.016 4.104 4.120 0.000 0.000 0.250 129 V C 1.034 177.137 176.094 0.017 0.000 1.061 129 V CA 1.574 63.886 62.300 0.020 0.000 1.064 129 V CB -0.422 31.404 31.823 0.006 0.000 0.670 129 V HN 0.777 nan 8.190 nan 0.000 0.461 130 G N 1.333 110.112 108.800 -0.036 0.000 3.288 130 G HA2 0.639 4.599 3.960 0.000 0.000 0.337 130 G HA3 0.639 4.599 3.960 0.000 0.000 0.337 130 G C -0.759 174.124 174.900 -0.028 0.000 1.142 130 G CA -0.418 44.639 45.100 -0.072 0.000 1.304 130 G HN 0.376 nan 8.290 nan 0.000 0.475 131 L N 1.107 122.331 121.223 0.002 0.000 2.365 131 L HA 0.475 4.815 4.340 0.000 0.000 0.273 131 L C 0.486 177.365 176.870 0.015 0.000 1.000 131 L CA -1.046 53.801 54.840 0.012 0.000 0.819 131 L CB 2.539 44.612 42.059 0.022 0.000 1.284 131 L HN 0.246 nan 8.230 nan 0.000 0.418 132 K N 1.616 122.025 120.400 0.016 0.000 2.469 132 K HA 0.358 4.678 4.320 0.000 0.000 0.274 132 K C 0.039 176.647 176.600 0.013 0.000 0.983 132 K CA -0.162 56.137 56.287 0.020 0.000 0.974 132 K CB 0.807 33.322 32.500 0.025 0.000 0.913 132 K HN 0.710 nan 8.250 nan 0.000 0.493 133 A N 5.119 127.945 122.820 0.011 0.000 2.425 133 A HA 0.257 4.577 4.320 0.000 0.000 0.249 133 A C -2.107 175.464 177.584 -0.021 0.000 1.084 133 A CA -1.281 50.755 52.037 -0.001 0.000 0.781 133 A CB -0.324 18.675 19.000 -0.001 0.000 1.019 133 A HN 0.586 nan 8.150 nan 0.000 0.490 134 P HA 0.082 nan 4.420 nan 0.000 0.265 134 P C 0.757 178.004 177.300 -0.090 0.000 1.187 134 P CA 0.606 63.649 63.100 -0.095 0.000 0.766 134 P CB 0.267 31.876 31.700 -0.153 0.000 0.820 135 G N 1.796 110.538 108.800 -0.097 0.000 2.447 135 G HA2 0.092 4.052 3.960 0.000 0.000 0.269 135 G HA3 0.092 4.052 3.960 0.000 0.000 0.269 135 G C 1.239 176.088 174.900 -0.085 0.000 1.455 135 G CA -0.591 44.466 45.100 -0.071 0.000 1.061 135 G HN 0.429 nan 8.290 nan 0.000 0.545 136 I N -0.168 120.368 120.570 -0.056 0.000 2.163 136 I HA -0.126 4.044 4.170 0.000 0.000 0.240 136 I C 2.670 178.753 176.117 -0.056 0.000 1.081 136 I CA 0.660 61.934 61.300 -0.043 0.000 1.353 136 I CB -0.227 37.762 38.000 -0.019 0.000 1.054 136 I HN 0.241 nan 8.210 nan 0.000 0.407 137 I N 1.311 121.850 120.570 -0.052 0.000 2.163 137 I HA -0.174 3.997 4.170 0.000 0.000 0.243 137 I C -0.301 175.760 176.117 -0.094 0.000 1.085 137 I CA 1.859 63.142 61.300 -0.028 0.000 1.347 137 I CB -2.750 35.267 38.000 0.029 0.000 1.044 137 I HN 0.184 nan 8.210 nan 0.000 0.408 138 P HA -0.050 nan 4.420 nan 0.000 0.239 138 P C -0.018 177.027 177.300 -0.426 0.000 1.184 138 P CA 0.843 63.428 63.100 -0.858 0.000 0.760 138 P CB 0.029 30.908 31.700 -1.369 0.000 0.884 139 R N -0.708 119.684 120.500 -0.180 0.000 2.919 139 R HA 0.762 5.102 4.340 0.000 0.000 0.260 139 R C -0.862 175.425 176.300 -0.022 0.000 1.067 139 R CA -1.116 54.931 56.100 -0.089 0.000 1.003 139 R CB 1.181 31.435 30.300 -0.077 0.000 1.192 139 R HN -0.177 nan 8.270 nan 0.000 0.488 140 I N -0.405 120.162 120.570 -0.004 0.000 2.686 140 I HA 0.254 4.424 4.170 0.000 0.000 0.295 140 I C -0.691 175.425 176.117 -0.001 0.000 1.114 140 I CA -0.302 61.003 61.300 0.009 0.000 1.038 140 I CB 2.571 40.588 38.000 0.028 0.000 1.238 140 I HN 0.645 nan 8.210 nan 0.000 0.420 141 S N 4.055 119.754 115.700 -0.002 0.000 2.599 141 S HA 0.095 4.565 4.470 0.000 0.000 0.303 141 S C -0.107 174.484 174.600 -0.014 0.000 1.267 141 S CA -0.376 57.820 58.200 -0.007 0.000 1.055 141 S CB 0.022 63.219 63.200 -0.005 0.000 0.790 141 S HN 0.460 nan 8.310 nan 0.000 0.500 142 V N 4.930 124.831 119.914 -0.021 0.000 2.485 142 V HA 0.089 4.209 4.120 0.000 0.000 0.287 142 V C 1.112 177.185 176.094 -0.035 0.000 1.022 142 V CA 0.718 62.998 62.300 -0.034 0.000 1.067 142 V CB 0.498 32.299 31.823 -0.036 0.000 0.967 142 V HN 0.834 nan 8.190 nan 0.000 0.479 143 R N 1.702 122.175 120.500 -0.045 0.000 2.573 143 R HA 0.203 4.543 4.340 0.000 0.000 0.224 143 R C 0.057 176.323 176.300 -0.058 0.000 0.904 143 R CA -0.164 55.912 56.100 -0.041 0.000 0.995 143 R CB 0.607 30.891 30.300 -0.027 0.000 1.430 143 R HN 0.750 nan 8.270 nan 0.000 0.631 144 E N 3.044 123.192 120.200 -0.086 0.000 2.259 144 E HA 0.213 4.563 4.350 0.000 0.000 0.281 144 E C -2.450 174.071 176.600 -0.132 0.000 1.027 144 E CA -2.305 54.025 56.400 -0.116 0.000 0.838 144 E CB 0.666 30.267 29.700 -0.165 0.000 1.066 144 E HN -0.105 nan 8.360 nan 0.000 0.401 145 P HA -0.011 nan 4.420 nan 0.000 0.271 145 P C -0.512 176.688 177.300 -0.166 0.000 1.233 145 P CA -0.145 62.885 63.100 -0.116 0.000 0.789 145 P CB 0.448 32.091 31.700 -0.095 0.000 0.951 146 M N 1.651 121.171 119.600 -0.133 0.000 2.007 146 M HA 0.153 4.633 4.480 0.000 0.000 0.285 146 M C -1.139 175.112 176.300 -0.080 0.000 0.893 146 M CA -0.539 54.676 55.300 -0.142 0.000 0.925 146 M CB 0.801 33.333 32.600 -0.113 0.000 1.568 146 M HN 0.276 nan 8.290 nan 0.000 0.414 147 Q N 2.328 122.089 119.800 -0.066 0.000 2.288 147 Q HA 0.241 4.582 4.340 0.000 0.000 0.258 147 Q C 1.198 177.233 176.000 0.059 0.000 0.957 147 Q CA 0.151 55.969 55.803 0.026 0.000 0.919 147 Q CB 0.938 29.742 28.738 0.111 0.000 1.185 147 Q HN 0.801 nan 8.270 nan 0.000 0.408 148 T N -1.069 113.507 114.554 0.038 0.000 2.852 148 T HA 0.116 4.467 4.350 0.000 0.000 0.256 148 T C 1.228 175.954 174.700 0.042 0.000 1.038 148 T CA 0.865 62.986 62.100 0.035 0.000 1.141 148 T CB 0.048 68.926 68.868 0.017 0.000 0.869 148 T HN 0.822 nan 8.240 nan 0.000 0.439 149 G N 1.264 110.087 108.800 0.037 0.000 2.192 149 G HA2 -0.094 3.866 3.960 0.000 0.000 0.193 149 G HA3 -0.094 3.866 3.960 0.000 0.000 0.193 149 G C -0.015 174.890 174.900 0.009 0.000 0.999 149 G CA -0.169 44.947 45.100 0.027 0.000 0.659 149 G HN 0.654 nan 8.290 nan 0.000 0.503 150 I N 1.647 122.221 120.570 0.007 0.000 2.328 150 I HA 0.285 4.455 4.170 0.000 0.000 0.287 150 I C 1.519 177.639 176.117 0.005 0.000 1.012 150 I CA -0.916 60.383 61.300 -0.002 0.000 1.195 150 I CB 1.395 39.390 38.000 -0.009 0.000 1.350 150 I HN -0.001 nan 8.210 nan 0.000 0.464 151 K N 4.508 124.911 120.400 0.005 0.000 2.032 151 K HA -0.276 4.044 4.320 0.000 0.000 0.218 151 K C 2.142 178.749 176.600 0.011 0.000 1.054 151 K CA 1.987 58.281 56.287 0.012 0.000 0.941 151 K CB -0.400 32.108 32.500 0.013 0.000 0.720 151 K HN 0.784 nan 8.250 nan 0.000 0.449 152 A N 1.200 124.024 122.820 0.007 0.000 1.915 152 A HA -0.220 4.100 4.320 0.000 0.000 0.220 152 A C 2.502 180.094 177.584 0.013 0.000 1.198 152 A CA 2.264 54.307 52.037 0.010 0.000 0.647 152 A CB -0.971 18.032 19.000 0.005 0.000 0.825 152 A HN 0.142 nan 8.150 nan 0.000 0.456 153 V N 0.194 120.114 119.914 0.011 0.000 2.256 153 V HA -0.166 3.954 4.120 0.000 0.000 0.240 153 V C 2.083 178.184 176.094 0.012 0.000 1.036 153 V CA 2.101 64.408 62.300 0.012 0.000 1.008 153 V CB -0.817 31.012 31.823 0.010 0.000 0.648 153 V HN 0.512 nan 8.190 nan 0.000 0.453 154 D N 0.430 120.837 120.400 0.011 0.000 2.311 154 D HA -0.116 4.524 4.640 0.000 0.000 0.212 154 D C 2.267 178.575 176.300 0.012 0.000 0.972 154 D CA 1.691 55.698 54.000 0.011 0.000 0.887 154 D CB -0.056 40.754 40.800 0.016 0.000 0.915 154 D HN 0.626 nan 8.370 nan 0.000 0.497 155 S N -0.888 114.821 115.700 0.015 0.000 2.460 155 S HA 0.101 4.571 4.470 0.000 0.000 0.226 155 S C 2.013 176.622 174.600 0.015 0.000 1.057 155 S CA -0.088 58.122 58.200 0.016 0.000 0.948 155 S CB -0.132 63.078 63.200 0.018 0.000 0.822 155 S HN 0.160 nan 8.310 nan 0.000 0.512 156 L N 1.484 122.717 121.223 0.017 0.000 2.316 156 L HA 0.341 4.681 4.340 0.000 0.000 0.207 156 L C 0.275 177.157 176.870 0.020 0.000 1.070 156 L CA 0.163 55.014 54.840 0.020 0.000 0.820 156 L CB 0.429 42.503 42.059 0.025 0.000 0.992 156 L HN 0.340 nan 8.230 nan 0.000 0.466 157 V N -2.434 117.492 119.914 0.019 0.000 2.384 157 V HA 0.431 4.551 4.120 0.000 0.000 0.257 157 V C -2.709 173.391 176.094 0.011 0.000 0.969 157 V CA -2.080 60.231 62.300 0.018 0.000 0.910 157 V CB -0.069 31.770 31.823 0.027 0.000 1.150 157 V HN -0.107 nan 8.190 nan 0.000 0.481 158 P HA 0.283 nan 4.420 nan 0.000 0.265 158 P C -0.403 176.892 177.300 -0.009 0.000 1.187 158 P CA 0.575 63.674 63.100 -0.003 0.000 0.766 158 P CB 0.948 32.645 31.700 -0.005 0.000 0.820 159 I N 1.701 122.261 120.570 -0.018 0.000 2.418 159 I HA 0.483 4.653 4.170 0.000 0.000 0.287 159 I C 0.917 177.006 176.117 -0.047 0.000 1.008 159 I CA -0.477 60.807 61.300 -0.027 0.000 1.104 159 I CB 2.130 40.115 38.000 -0.024 0.000 1.264 159 I HN 0.302 nan 8.210 nan 0.000 0.438 160 G N 4.757 113.526 108.800 -0.051 0.000 2.491 160 G HA2 0.617 4.577 3.960 0.000 0.000 0.327 160 G HA3 0.617 4.577 3.960 0.000 0.000 0.327 160 G C -0.549 174.295 174.900 -0.092 0.000 1.189 160 G CA -0.849 44.207 45.100 -0.074 0.000 0.956 160 G HN 0.518 nan 8.290 nan 0.000 0.491 161 R N -0.612 119.809 120.500 -0.132 0.000 2.438 161 R HA 0.457 4.797 4.340 0.000 0.000 0.287 161 R C 1.104 177.342 176.300 -0.103 0.000 1.077 161 R CA 0.803 56.811 56.100 -0.153 0.000 1.034 161 R CB 1.063 31.195 30.300 -0.280 0.000 0.993 161 R HN 1.074 nan 8.270 nan 0.000 0.459 162 G N 1.140 109.897 108.800 -0.071 0.000 2.195 162 G HA2 -0.309 3.651 3.960 0.000 0.000 0.246 162 G HA3 -0.309 3.651 3.960 0.000 0.000 0.246 162 G C 0.169 175.052 174.900 -0.028 0.000 0.984 162 G CA -0.077 45.001 45.100 -0.037 0.000 0.633 162 G HN 0.574 nan 8.290 nan 0.000 0.525 163 Q N 0.066 119.845 119.800 -0.036 0.000 2.306 163 Q HA 0.651 4.991 4.340 0.000 0.000 0.241 163 Q C 0.059 176.048 176.000 -0.017 0.000 0.948 163 Q CA -0.575 55.214 55.803 -0.024 0.000 0.886 163 Q CB 0.480 29.201 28.738 -0.028 0.000 1.227 163 Q HN 0.411 nan 8.270 nan 0.000 0.457 164 R N 2.036 122.533 120.500 -0.006 0.000 2.310 164 R HA 0.279 4.619 4.340 0.000 0.000 0.324 164 R C -1.292 175.010 176.300 0.003 0.000 0.955 164 R CA -0.450 55.652 56.100 0.003 0.000 0.830 164 R CB 1.512 31.820 30.300 0.014 0.000 1.154 164 R HN 0.474 nan 8.270 nan 0.000 0.458 165 E N 3.153 123.354 120.200 0.001 0.000 2.234 165 E HA 0.308 4.658 4.350 0.000 0.000 0.266 165 E C -1.604 175.003 176.600 0.012 0.000 0.877 165 E CA -0.906 55.498 56.400 0.007 0.000 0.758 165 E CB 1.302 31.004 29.700 0.003 0.000 1.170 165 E HN 0.357 nan 8.360 nan 0.000 0.415 166 L N 5.153 126.388 121.223 0.020 0.000 2.334 166 L HA 0.538 4.878 4.340 0.000 0.000 0.277 166 L C -1.016 175.877 176.870 0.039 0.000 1.075 166 L CA -0.204 54.651 54.840 0.024 0.000 0.804 166 L CB 0.852 42.924 42.059 0.022 0.000 1.174 166 L HN 0.666 nan 8.230 nan 0.000 0.438 167 I N 6.673 127.266 120.570 0.037 0.000 2.328 167 I HA 0.407 4.577 4.170 0.000 0.000 0.287 167 I C -0.422 175.736 176.117 0.069 0.000 1.012 167 I CA -0.181 61.150 61.300 0.051 0.000 1.195 167 I CB 1.175 39.197 38.000 0.037 0.000 1.350 167 I HN 0.539 nan 8.210 nan 0.000 0.464 168 I N 5.266 125.908 120.570 0.119 0.000 2.647 168 I HA 0.897 5.067 4.170 0.000 0.000 0.295 168 I C -0.392 175.869 176.117 0.239 0.000 1.078 168 I CA -0.057 61.339 61.300 0.160 0.000 1.048 168 I CB 2.131 40.229 38.000 0.162 0.000 1.239 168 I HN 0.700 nan 8.210 nan 0.000 0.421 169 G N 5.236 114.148 108.800 0.187 0.000 2.328 169 G HA2 0.163 4.123 3.960 0.000 0.000 0.295 169 G HA3 0.163 4.123 3.960 0.000 0.000 0.295 169 G C -1.894 173.052 174.900 0.077 0.000 1.413 169 G CA -0.750 44.424 45.100 0.124 0.000 0.817 169 G HN 0.519 nan 8.290 nan 0.000 0.546 170 D N 0.078 120.499 120.400 0.036 0.000 2.393 170 D HA 0.286 4.926 4.640 0.000 0.000 0.246 170 D C 1.109 177.402 176.300 -0.012 0.000 1.275 170 D CA -0.073 53.944 54.000 0.029 0.000 0.979 170 D CB 0.518 41.331 40.800 0.022 0.000 1.101 170 D HN 0.684 nan 8.370 nan 0.000 0.505 171 R N 0.227 120.723 120.500 -0.006 0.000 2.640 171 R HA -0.037 4.303 4.340 0.000 0.000 0.270 171 R C 0.015 176.266 176.300 -0.082 0.000 1.024 171 R CA -0.119 55.967 56.100 -0.023 0.000 1.085 171 R CB 0.081 30.379 30.300 -0.004 0.000 0.963 171 R HN 0.237 nan 8.270 nan 0.000 0.426 172 Q N -0.320 119.422 119.800 -0.097 0.000 2.480 172 Q HA -0.176 4.164 4.340 0.000 0.000 0.265 172 Q C 0.423 176.208 176.000 -0.359 0.000 1.072 172 Q CA 1.869 57.560 55.803 -0.187 0.000 1.018 172 Q CB -2.036 26.591 28.738 -0.184 0.000 1.433 172 Q HN 1.005 nan 8.270 nan 0.000 0.513 173 T N -4.505 109.890 114.554 -0.265 0.000 3.107 173 T HA 0.405 4.755 4.350 0.000 0.000 0.249 173 T C 1.282 175.883 174.700 -0.166 0.000 1.096 173 T CA 0.824 62.721 62.100 -0.339 0.000 1.012 173 T CB 0.836 69.577 68.868 -0.210 0.000 0.977 173 T HN 0.791 nan 8.240 nan 0.000 0.527 174 G N 1.640 110.383 108.800 -0.095 0.000 2.154 174 G HA2 -0.242 3.718 3.960 0.000 0.000 0.186 174 G HA3 -0.242 3.718 3.960 0.000 0.000 0.186 174 G C 0.726 175.631 174.900 0.009 0.000 1.000 174 G CA 0.128 45.237 45.100 0.014 0.000 0.664 174 G HN 0.508 nan 8.290 nan 0.000 0.513 175 K N -0.078 120.322 120.400 -0.001 0.000 2.044 175 K HA -0.084 4.236 4.320 0.000 0.000 0.210 175 K C 2.534 179.155 176.600 0.035 0.000 1.049 175 K CA 2.044 58.342 56.287 0.018 0.000 0.927 175 K CB -0.411 32.103 32.500 0.024 0.000 0.713 175 K HN 0.307 nan 8.250 nan 0.000 0.443 176 T N 0.872 115.455 114.554 0.048 0.000 2.788 176 T HA -0.110 4.240 4.350 0.000 0.000 0.268 176 T C 2.030 176.758 174.700 0.046 0.000 1.044 176 T CA 1.497 63.644 62.100 0.079 0.000 1.139 176 T CB -0.230 68.695 68.868 0.095 0.000 0.867 176 T HN 0.184 nan 8.240 nan 0.000 0.454 177 S N 1.597 117.303 115.700 0.011 0.000 2.365 177 S HA -0.105 4.365 4.470 0.000 0.000 0.225 177 S C 2.035 176.612 174.600 -0.038 0.000 1.039 177 S CA 0.937 59.112 58.200 -0.040 0.000 1.033 177 S CB -0.452 62.700 63.200 -0.081 0.000 0.887 177 S HN 0.351 nan 8.310 nan 0.000 0.447 178 I N 2.188 122.750 120.570 -0.014 0.000 2.145 178 I HA -0.261 3.909 4.170 0.000 0.000 0.244 178 I C 2.721 178.845 176.117 0.011 0.000 1.075 178 I CA 1.641 62.937 61.300 -0.006 0.000 1.332 178 I CB -1.825 36.179 38.000 0.007 0.000 1.033 178 I HN 0.283 nan 8.210 nan 0.000 0.410 179 A N 0.927 123.769 122.820 0.036 0.000 1.898 179 A HA -0.143 4.177 4.320 0.000 0.000 0.216 179 A C 2.225 179.840 177.584 0.051 0.000 1.181 179 A CA 1.181 53.255 52.037 0.062 0.000 0.620 179 A CB -0.470 18.607 19.000 0.128 0.000 0.819 179 A HN 0.263 nan 8.150 nan 0.000 0.442 180 I N 0.647 121.233 120.570 0.026 0.000 2.113 180 I HA -0.198 3.972 4.170 0.000 0.000 0.238 180 I C 1.908 178.044 176.117 0.033 0.000 1.070 180 I CA 1.668 62.975 61.300 0.011 0.000 1.332 180 I CB -1.792 36.222 38.000 0.022 0.000 1.044 180 I HN 0.248 nan 8.210 nan 0.000 0.402 181 D N 0.572 120.975 120.400 0.005 0.000 2.172 181 D HA -0.177 4.463 4.640 0.000 0.000 0.196 181 D C 2.200 178.522 176.300 0.037 0.000 0.999 181 D CA 1.674 55.678 54.000 0.007 0.000 0.856 181 D CB -0.204 40.565 40.800 -0.052 0.000 0.934 181 D HN 0.266 nan 8.370 nan 0.000 0.453 182 T N 0.188 114.765 114.554 0.038 0.000 2.708 182 T HA -0.061 4.289 4.350 0.000 0.000 0.266 182 T C 2.093 176.847 174.700 0.090 0.000 1.037 182 T CA 0.578 62.711 62.100 0.056 0.000 1.146 182 T CB -0.172 68.720 68.868 0.040 0.000 0.865 182 T HN 0.174 nan 8.240 nan 0.000 0.435 183 I N 0.427 121.053 120.570 0.095 0.000 2.226 183 I HA -0.140 4.030 4.170 0.000 0.000 0.245 183 I C 2.223 178.467 176.117 0.212 0.000 1.100 183 I CA 1.409 62.798 61.300 0.148 0.000 1.374 183 I CB -0.410 37.637 38.000 0.078 0.000 1.057 183 I HN 0.239 nan 8.210 nan 0.000 0.413 184 I N 0.836 121.487 120.570 0.135 0.000 2.353 184 I HA -0.268 3.902 4.170 0.000 0.000 0.248 184 I C 2.207 178.395 176.117 0.119 0.000 1.119 184 I CA 1.205 62.589 61.300 0.140 0.000 1.417 184 I CB -0.336 37.724 38.000 0.100 0.000 1.078 184 I HN 0.266 nan 8.210 nan 0.000 0.421 185 N N 0.534 119.286 118.700 0.086 0.000 2.364 185 N HA -0.198 4.542 4.740 0.000 0.000 0.183 185 N C 1.666 177.182 175.510 0.009 0.000 1.022 185 N CA 0.937 54.010 53.050 0.037 0.000 0.883 185 N CB 0.107 38.633 38.487 0.065 0.000 0.965 185 N HN 0.184 nan 8.380 nan 0.000 0.438 186 Q N 0.231 120.085 119.800 0.090 0.000 2.515 186 Q HA -0.047 4.293 4.340 0.000 0.000 0.212 186 Q C 1.477 177.330 176.000 -0.244 0.000 0.970 186 Q CA 0.425 56.259 55.803 0.052 0.000 0.941 186 Q CB -0.087 28.665 28.738 0.023 0.000 0.998 186 Q HN 0.507 nan 8.270 nan 0.000 0.518 187 K N 1.139 121.428 120.400 -0.185 0.000 2.057 187 K HA -0.133 4.187 4.320 0.000 0.000 0.207 187 K C 1.841 178.250 176.600 -0.319 0.000 1.049 187 K CA 0.851 57.010 56.287 -0.214 0.000 0.931 187 K CB 0.124 32.616 32.500 -0.014 0.000 0.714 187 K HN 0.115 nan 8.250 nan 0.000 0.440 188 R N -0.383 119.832 120.500 -0.474 0.000 2.191 188 R HA -0.231 4.109 4.340 0.000 0.000 0.248 188 R C 2.271 178.202 176.300 -0.615 0.000 1.127 188 R CA 2.607 58.298 56.100 -0.681 0.000 0.943 188 R CB -0.745 28.779 30.300 -1.294 0.000 0.891 188 R HN 0.257 nan 8.270 nan 0.000 0.439 189 F N 0.061 119.923 119.950 -0.147 0.000 2.270 189 F HA 0.044 4.571 4.527 0.000 0.000 0.295 189 F C 2.102 177.786 175.800 -0.193 0.000 1.087 189 F CA 0.345 58.254 58.000 -0.151 0.000 1.365 189 F CB -0.513 38.398 39.000 -0.149 0.000 1.056 189 F HN -0.056 nan 8.300 nan 0.000 0.506 190 N N 0.405 119.021 118.700 -0.140 0.000 2.270 190 N HA -0.134 4.606 4.740 0.000 0.000 0.181 190 N C 1.114 176.542 175.510 -0.137 0.000 1.016 190 N CA 1.252 54.158 53.050 -0.240 0.000 0.870 190 N CB -0.461 37.689 38.487 -0.561 0.000 0.979 190 N HN 0.223 nan 8.380 nan 0.000 0.431 191 D N 0.127 120.450 120.400 -0.129 0.000 2.317 191 D HA 0.049 4.689 4.640 0.000 0.000 0.211 191 D C 1.192 177.462 176.300 -0.050 0.000 0.966 191 D CA 0.268 54.227 54.000 -0.068 0.000 0.876 191 D CB -0.237 40.525 40.800 -0.062 0.000 0.927 191 D HN 0.154 nan 8.370 nan 0.000 0.519 192 G N -0.684 108.082 108.800 -0.056 0.000 2.611 192 G HA2 0.170 4.130 3.960 0.000 0.000 0.273 192 G HA3 0.170 4.130 3.960 0.000 0.000 0.273 192 G C 1.079 175.975 174.900 -0.006 0.000 1.305 192 G CA -0.043 45.041 45.100 -0.027 0.000 1.010 192 G HN 0.004 nan 8.290 nan 0.000 0.509 193 T N -0.324 114.232 114.554 0.004 0.000 2.706 193 T HA -0.019 4.331 4.350 0.000 0.000 0.255 193 T C 0.972 175.681 174.700 0.016 0.000 1.048 193 T CA 0.847 62.953 62.100 0.010 0.000 1.153 193 T CB -0.283 68.589 68.868 0.008 0.000 0.865 193 T HN 0.499 nan 8.240 nan 0.000 0.414 194 D N 1.585 121.998 120.400 0.022 0.000 2.520 194 D HA -0.022 4.618 4.640 0.000 0.000 0.243 194 D C 0.673 176.983 176.300 0.017 0.000 1.160 194 D CA 0.300 54.313 54.000 0.022 0.000 0.877 194 D CB 0.983 41.802 40.800 0.031 0.000 1.150 194 D HN 0.186 nan 8.370 nan 0.000 0.494 195 E N 2.474 122.681 120.200 0.012 0.000 2.299 195 E HA -0.029 4.321 4.350 0.000 0.000 0.193 195 E C 1.530 178.120 176.600 -0.017 0.000 0.998 195 E CA 0.619 57.023 56.400 0.008 0.000 0.851 195 E CB 0.298 30.014 29.700 0.027 0.000 0.795 195 E HN 0.457 nan 8.360 nan 0.000 0.492 196 K N 0.174 120.571 120.400 -0.004 0.000 2.155 196 K HA -0.009 4.311 4.320 0.000 0.000 0.203 196 K C 1.732 178.388 176.600 0.093 0.000 1.052 196 K CA 0.775 57.075 56.287 0.022 0.000 0.948 196 K CB 0.093 32.622 32.500 0.048 0.000 0.728 196 K HN -0.053 nan 8.250 nan 0.000 0.448 197 K N 1.296 121.704 120.400 0.013 0.000 2.366 197 K HA 0.015 4.335 4.320 0.000 0.000 0.198 197 K C 0.211 176.743 176.600 -0.114 0.000 1.044 197 K CA 0.389 56.627 56.287 -0.082 0.000 0.973 197 K CB 0.203 32.663 32.500 -0.068 0.000 0.767 197 K HN 0.095 nan 8.250 nan 0.000 0.475 198 K N 1.230 121.588 120.400 -0.070 0.000 2.414 198 K HA 0.066 4.386 4.320 0.000 0.000 0.272 198 K C -0.527 175.914 176.600 -0.266 0.000 0.993 198 K CA -0.041 56.125 56.287 -0.202 0.000 0.964 198 K CB 0.498 32.813 32.500 -0.307 0.000 0.925 198 K HN -0.141 nan 8.250 nan 0.000 0.487 199 L N 3.690 124.670 121.223 -0.405 0.000 2.446 199 L HA 0.282 4.622 4.340 0.000 0.000 0.268 199 L C -1.692 174.949 176.870 -0.382 0.000 0.975 199 L CA -0.422 54.236 54.840 -0.303 0.000 0.848 199 L CB 0.786 42.747 42.059 -0.162 0.000 1.225 199 L HN 0.423 nan 8.230 nan 0.000 0.410 200 Y N 3.293 123.509 120.300 -0.141 0.000 2.319 200 Y HA 0.459 5.009 4.550 0.000 0.000 0.328 200 Y C 0.576 176.374 175.900 -0.171 0.000 1.133 200 Y CA -0.092 57.879 58.100 -0.215 0.000 1.265 200 Y CB 0.884 38.914 38.460 -0.716 0.000 1.218 200 Y HN 0.508 nan 8.280 nan 0.000 0.508 201 C N 4.736 124.107 119.300 0.119 0.000 2.391 201 C HA 0.707 5.167 4.460 0.000 0.000 0.339 201 C C 0.018 175.022 174.990 0.024 0.000 1.205 201 C CA -1.125 57.930 59.018 0.062 0.000 1.937 201 C CB 0.199 28.018 27.740 0.131 0.000 2.341 201 C HN 0.653 nan 8.230 nan 0.000 0.516 202 I N 1.944 122.513 120.570 -0.002 0.000 2.498 202 I HA 0.319 4.490 4.170 0.000 0.000 0.290 202 I C -1.194 174.932 176.117 0.015 0.000 1.032 202 I CA -0.511 60.791 61.300 0.004 0.000 1.073 202 I CB 1.430 39.416 38.000 -0.024 0.000 1.251 202 I HN 0.634 nan 8.210 nan 0.000 0.426 203 Y N 6.604 126.864 120.300 -0.067 0.000 2.338 203 Y HA 0.562 5.112 4.550 0.000 0.000 0.328 203 Y C -1.021 174.854 175.900 -0.041 0.000 0.965 203 Y CA -0.734 57.327 58.100 -0.065 0.000 1.208 203 Y CB 1.388 39.820 38.460 -0.047 0.000 1.132 203 Y HN 0.247 nan 8.280 nan 0.000 0.469 204 V N 6.493 126.110 119.914 -0.495 0.000 2.318 204 V HA 0.616 4.736 4.120 0.000 0.000 0.271 204 V C 0.170 176.002 176.094 -0.436 0.000 1.030 204 V CA -0.599 61.512 62.300 -0.315 0.000 0.844 204 V CB 0.596 32.334 31.823 -0.141 0.000 1.015 204 V HN 0.909 nan 8.190 nan 0.000 0.460 205 A N 7.082 129.775 122.820 -0.212 0.000 2.289 205 A HA 0.842 5.162 4.320 0.000 0.000 0.298 205 A C -0.431 177.137 177.584 -0.026 0.000 1.208 205 A CA -0.306 51.684 52.037 -0.079 0.000 0.845 205 A CB 0.139 19.213 19.000 0.123 0.000 1.125 205 A HN 0.807 nan 8.150 nan 0.000 0.517 206 I N 2.033 122.593 120.570 -0.017 0.000 2.439 206 I HA 0.538 4.708 4.170 0.000 0.000 0.285 206 I C 1.126 177.269 176.117 0.044 0.000 1.021 206 I CA 0.019 61.329 61.300 0.016 0.000 1.091 206 I CB 1.774 39.775 38.000 0.002 0.000 1.242 206 I HN 0.966 nan 8.210 nan 0.000 0.439 207 G N 3.833 112.669 108.800 0.060 0.000 2.212 207 G HA2 -0.329 3.631 3.960 0.000 0.000 0.266 207 G HA3 -0.329 3.631 3.960 0.000 0.000 0.266 207 G C 0.380 175.316 174.900 0.061 0.000 0.978 207 G CA 0.578 45.718 45.100 0.067 0.000 0.632 207 G HN 0.649 nan 8.290 nan 0.000 0.537 208 Q N 0.201 120.037 119.800 0.060 0.000 2.841 208 Q HA 0.508 4.848 4.340 0.000 0.000 0.198 208 Q C 0.567 176.603 176.000 0.059 0.000 1.135 208 Q CA 0.346 56.188 55.803 0.065 0.000 1.167 208 Q CB 0.262 29.049 28.738 0.082 0.000 1.288 208 Q HN 0.364 nan 8.270 nan 0.000 0.670 209 K N 0.474 120.908 120.400 0.056 0.000 2.206 209 K HA 0.209 4.529 4.320 0.000 0.000 0.264 209 K C 0.545 177.172 176.600 0.046 0.000 0.967 209 K CA -0.386 55.930 56.287 0.047 0.000 0.844 209 K CB 0.822 33.346 32.500 0.042 0.000 1.099 209 K HN 0.573 nan 8.250 nan 0.000 0.441 210 R N 0.636 121.160 120.500 0.041 0.000 2.119 210 R HA -0.191 4.149 4.340 0.000 0.000 0.246 210 R C 1.830 178.148 176.300 0.030 0.000 1.146 210 R CA 2.572 58.694 56.100 0.036 0.000 0.962 210 R CB -0.152 30.167 30.300 0.031 0.000 0.863 210 R HN 0.746 nan 8.270 nan 0.000 0.442 211 S N -0.757 114.959 115.700 0.026 0.000 2.402 211 S HA -0.094 4.376 4.470 0.000 0.000 0.229 211 S C 1.903 176.515 174.600 0.020 0.000 1.021 211 S CA 1.575 59.787 58.200 0.020 0.000 0.974 211 S CB -0.291 62.919 63.200 0.017 0.000 0.800 211 S HN 0.239 nan 8.310 nan 0.000 0.484 212 T N 2.296 116.868 114.554 0.029 0.000 2.821 212 T HA 0.019 4.369 4.350 0.000 0.000 0.267 212 T C 1.911 176.627 174.700 0.027 0.000 1.046 212 T CA 1.221 63.340 62.100 0.031 0.000 1.139 212 T CB -0.435 68.460 68.868 0.045 0.000 0.871 212 T HN 0.269 nan 8.240 nan 0.000 0.454 213 V N 1.744 121.682 119.914 0.041 0.000 2.270 213 V HA -0.131 3.989 4.120 0.000 0.000 0.245 213 V C 2.905 179.003 176.094 0.007 0.000 1.043 213 V CA 1.650 63.977 62.300 0.044 0.000 1.014 213 V CB -1.226 30.643 31.823 0.077 0.000 0.645 213 V HN 0.501 nan 8.190 nan 0.000 0.447 214 A N -0.594 122.231 122.820 0.009 0.000 1.948 214 A HA -0.280 4.040 4.320 0.000 0.000 0.220 214 A C 2.180 179.752 177.584 -0.020 0.000 1.177 214 A CA 1.813 53.848 52.037 -0.004 0.000 0.636 214 A CB -0.441 18.560 19.000 0.001 0.000 0.815 214 A HN 0.580 nan 8.150 nan 0.000 0.449 215 Q N -0.589 119.201 119.800 -0.017 0.000 2.050 215 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 215 Q C 2.203 178.173 176.000 -0.050 0.000 0.980 215 Q CA 1.069 56.856 55.803 -0.027 0.000 0.840 215 Q CB -0.745 27.985 28.738 -0.013 0.000 0.898 215 Q HN 0.635 nan 8.270 nan 0.000 0.424 216 L N 1.089 122.276 121.223 -0.061 0.000 2.013 216 L HA -0.144 4.196 4.340 0.000 0.000 0.212 216 L C 2.359 179.148 176.870 -0.136 0.000 1.073 216 L CA 1.896 56.663 54.840 -0.120 0.000 0.753 216 L CB -0.755 41.199 42.059 -0.174 0.000 0.890 216 L HN 0.205 nan 8.230 nan 0.000 0.432 217 V N -1.093 118.761 119.914 -0.101 0.000 2.970 217 V HA -0.216 3.904 4.120 0.000 0.000 0.260 217 V C 2.520 178.564 176.094 -0.083 0.000 1.100 217 V CA 1.812 64.055 62.300 -0.094 0.000 1.122 217 V CB -0.464 31.321 31.823 -0.064 0.000 0.721 217 V HN 0.495 nan 8.190 nan 0.000 0.483 218 K N 0.377 120.734 120.400 -0.073 0.000 1.984 218 K HA -0.198 4.122 4.320 0.000 0.000 0.209 218 K C 2.501 179.049 176.600 -0.087 0.000 1.046 218 K CA 1.629 57.875 56.287 -0.069 0.000 0.934 218 K CB -0.374 32.091 32.500 -0.057 0.000 0.717 218 K HN 0.429 nan 8.250 nan 0.000 0.438 219 R N 0.708 121.148 120.500 -0.100 0.000 2.113 219 R HA -0.162 4.178 4.340 0.000 0.000 0.244 219 R C 2.419 178.651 176.300 -0.114 0.000 1.142 219 R CA 1.849 57.875 56.100 -0.123 0.000 0.953 219 R CB -0.367 29.859 30.300 -0.122 0.000 0.860 219 R HN 0.276 nan 8.270 nan 0.000 0.438 220 L N -0.564 120.588 121.223 -0.119 0.000 2.012 220 L HA -0.219 4.121 4.340 0.000 0.000 0.210 220 L C 2.370 179.165 176.870 -0.126 0.000 1.073 220 L CA 1.919 56.678 54.840 -0.134 0.000 0.748 220 L CB -0.735 41.224 42.059 -0.167 0.000 0.891 220 L HN 0.362 nan 8.230 nan 0.000 0.431 221 T N -1.110 113.380 114.554 -0.107 0.000 2.674 221 T HA -0.195 4.155 4.350 0.000 0.000 0.265 221 T C 1.426 176.081 174.700 -0.074 0.000 1.039 221 T CA 1.552 63.600 62.100 -0.086 0.000 1.150 221 T CB -0.314 68.513 68.868 -0.068 0.000 0.864 221 T HN 0.265 nan 8.240 nan 0.000 0.427 222 D N 1.185 121.538 120.400 -0.078 0.000 2.265 222 D HA 0.017 4.657 4.640 0.000 0.000 0.208 222 D C 1.833 178.091 176.300 -0.070 0.000 0.977 222 D CA 0.800 54.755 54.000 -0.075 0.000 0.871 222 D CB -0.212 40.531 40.800 -0.095 0.000 0.925 222 D HN 0.460 nan 8.370 nan 0.000 0.485 223 A N -0.244 122.534 122.820 -0.071 0.000 2.308 223 A HA 0.091 4.411 4.320 0.000 0.000 0.217 223 A C 0.482 178.052 177.584 -0.022 0.000 1.216 223 A CA 0.239 52.249 52.037 -0.045 0.000 0.864 223 A CB 0.358 19.336 19.000 -0.037 0.000 0.902 223 A HN -0.001 nan 8.150 nan 0.000 0.499 224 D N -2.487 117.889 120.400 -0.040 0.000 2.775 224 D HA -0.184 4.456 4.640 0.000 0.000 0.235 224 D C 0.691 176.973 176.300 -0.029 0.000 1.120 224 D CA 0.987 54.976 54.000 -0.019 0.000 0.708 224 D CB -1.304 39.509 40.800 0.020 0.000 1.084 224 D HN 0.529 nan 8.370 nan 0.000 0.434 225 A N -0.652 122.060 122.820 -0.180 0.000 2.229 225 A HA 0.157 4.478 4.320 0.000 0.000 0.211 225 A C 2.144 179.284 177.584 -0.741 0.000 1.193 225 A CA 0.261 51.964 52.037 -0.558 0.000 0.879 225 A CB 0.048 18.832 19.000 -0.359 0.000 0.911 225 A HN 0.265 nan 8.150 nan 0.000 0.492 226 M N 1.320 120.710 119.600 -0.351 0.000 2.108 226 M HA -0.200 4.280 4.480 0.000 0.000 0.261 226 M C 2.100 178.273 176.300 -0.212 0.000 1.066 226 M CA 2.126 57.273 55.300 -0.255 0.000 1.107 226 M CB -0.994 31.526 32.600 -0.133 0.000 1.356 226 M HN 0.691 nan 8.290 nan 0.000 0.406 227 K N 0.766 121.083 120.400 -0.140 0.000 2.144 227 K HA -0.224 4.096 4.320 0.000 0.000 0.209 227 K C 1.212 177.887 176.600 0.126 0.000 1.047 227 K CA 2.342 58.643 56.287 0.023 0.000 0.927 227 K CB -1.094 31.472 32.500 0.110 0.000 0.716 227 K HN 0.563 nan 8.250 nan 0.000 0.454 228 Y N -0.033 120.315 120.300 0.080 0.000 2.555 228 Y HA 0.451 5.001 4.550 0.000 0.000 0.259 228 Y C -0.347 175.614 175.900 0.101 0.000 1.179 228 Y CA -0.957 57.223 58.100 0.133 0.000 1.230 228 Y CB 0.059 38.569 38.460 0.085 0.000 1.146 228 Y HN -0.189 nan 8.280 nan 0.000 0.526 229 T N 2.194 116.700 114.554 -0.080 0.000 2.912 229 T HA 0.648 4.998 4.350 0.000 0.000 0.288 229 T C -0.561 174.144 174.700 0.008 0.000 1.030 229 T CA -0.527 61.547 62.100 -0.043 0.000 1.020 229 T CB 2.131 70.908 68.868 -0.152 0.000 1.056 229 T HN 0.115 nan 8.240 nan 0.000 0.480 230 I N 1.493 122.086 120.570 0.039 0.000 2.474 230 I HA 0.576 4.746 4.170 0.000 0.000 0.294 230 I C -0.864 175.289 176.117 0.059 0.000 1.005 230 I CA -1.167 60.163 61.300 0.050 0.000 1.113 230 I CB 2.108 40.151 38.000 0.072 0.000 1.289 230 I HN 0.222 nan 8.210 nan 0.000 0.436 231 V N 6.457 126.406 119.914 0.059 0.000 2.407 231 V HA 0.312 4.432 4.120 0.000 0.000 0.291 231 V C -0.161 175.977 176.094 0.072 0.000 1.018 231 V CA -0.671 61.688 62.300 0.100 0.000 0.842 231 V CB 1.939 33.824 31.823 0.103 0.000 0.996 231 V HN 0.408 nan 8.190 nan 0.000 0.426 232 V N 3.882 123.828 119.914 0.054 0.000 2.432 232 V HA 0.452 4.572 4.120 0.000 0.000 0.275 232 V C 0.420 176.533 176.094 0.031 0.000 1.043 232 V CA -0.041 62.276 62.300 0.028 0.000 0.925 232 V CB 1.597 33.424 31.823 0.007 0.000 0.985 232 V HN 0.809 nan 8.190 nan 0.000 0.466 233 S N 3.605 119.327 115.700 0.037 0.000 2.498 233 S HA 0.764 5.234 4.470 0.000 0.000 0.317 233 S C -0.078 174.544 174.600 0.037 0.000 1.090 233 S CA -0.215 58.013 58.200 0.046 0.000 1.089 233 S CB 1.128 64.362 63.200 0.057 0.000 0.997 233 S HN 1.045 nan 8.310 nan 0.000 0.470 234 A N 4.100 126.942 122.820 0.038 0.000 2.893 234 A HA 0.551 4.871 4.320 0.000 0.000 0.333 234 A C 0.288 177.906 177.584 0.057 0.000 1.152 234 A CA -0.718 51.347 52.037 0.048 0.000 0.782 234 A CB -0.061 18.970 19.000 0.051 0.000 1.108 234 A HN 0.749 nan 8.150 nan 0.000 0.469 235 T N -1.263 113.325 114.554 0.057 0.000 2.816 235 T HA 0.544 4.894 4.350 0.000 0.000 0.282 235 T C 1.693 176.428 174.700 0.059 0.000 0.993 235 T CA -0.002 62.133 62.100 0.058 0.000 0.994 235 T CB 1.216 70.116 68.868 0.054 0.000 1.025 235 T HN 1.215 nan 8.240 nan 0.000 0.529 236 A N 1.473 124.327 122.820 0.056 0.000 1.969 236 A HA -0.212 4.108 4.320 0.000 0.000 0.223 236 A C 2.411 180.025 177.584 0.050 0.000 1.218 236 A CA 2.767 54.836 52.037 0.053 0.000 0.667 236 A CB -1.646 17.383 19.000 0.047 0.000 0.826 236 A HN 1.188 nan 8.150 nan 0.000 0.472 237 S N -0.825 114.902 115.700 0.046 0.000 2.558 237 S HA 0.082 4.552 4.470 0.000 0.000 0.217 237 S C 0.134 174.764 174.600 0.050 0.000 0.975 237 S CA -0.078 58.148 58.200 0.042 0.000 0.912 237 S CB -0.200 63.022 63.200 0.035 0.000 0.776 237 S HN 0.500 nan 8.310 nan 0.000 0.526 238 D N 2.853 123.289 120.400 0.061 0.000 2.414 238 D HA 0.453 5.093 4.640 0.000 0.000 0.242 238 D C 0.531 176.884 176.300 0.088 0.000 1.129 238 D CA 0.255 54.300 54.000 0.075 0.000 0.885 238 D CB 1.138 41.986 40.800 0.080 0.000 1.198 238 D HN 0.403 nan 8.370 nan 0.000 0.437 239 A N 1.716 124.597 122.820 0.101 0.000 2.536 239 A HA 0.260 4.580 4.320 0.000 0.000 0.234 239 A C 1.457 179.122 177.584 0.135 0.000 1.076 239 A CA 0.522 52.621 52.037 0.104 0.000 0.769 239 A CB 0.185 19.254 19.000 0.116 0.000 1.020 239 A HN 0.653 nan 8.150 nan 0.000 0.508 240 A N 2.162 125.049 122.820 0.112 0.000 1.892 240 A HA -0.085 4.236 4.320 0.000 0.000 0.218 240 A C -0.115 177.608 177.584 0.233 0.000 1.188 240 A CA 2.163 54.284 52.037 0.139 0.000 0.631 240 A CB -1.767 17.284 19.000 0.085 0.000 0.822 240 A HN 0.650 nan 8.150 nan 0.000 0.447 241 P HA -0.086 nan 4.420 nan 0.000 0.220 241 P C 1.387 179.041 177.300 0.591 0.000 1.148 241 P CA 0.782 64.147 63.100 0.443 0.000 0.803 241 P CB -0.161 31.685 31.700 0.244 0.000 0.782 242 L N -0.730 120.742 121.223 0.416 0.000 2.005 242 L HA -0.166 4.174 4.340 0.000 0.000 0.207 242 L C 2.739 179.729 176.870 0.200 0.000 1.072 242 L CA 1.538 56.538 54.840 0.267 0.000 0.744 242 L CB -1.217 40.952 42.059 0.182 0.000 0.895 242 L HN -0.054 nan 8.230 nan 0.000 0.433 243 Q N -0.918 119.004 119.800 0.202 0.000 2.135 243 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 243 Q C 2.102 178.224 176.000 0.204 0.000 0.981 243 Q CA 2.109 58.012 55.803 0.166 0.000 0.856 243 Q CB -0.374 28.462 28.738 0.163 0.000 0.902 243 Q HN 0.522 nan 8.270 nan 0.000 0.425 244 Y N 0.960 121.363 120.300 0.173 0.000 2.109 244 Y HA -0.217 4.333 4.550 0.000 0.000 0.285 244 Y C 1.958 178.000 175.900 0.237 0.000 1.131 244 Y CA 1.211 59.436 58.100 0.209 0.000 1.121 244 Y CB -0.452 38.161 38.460 0.255 0.000 0.987 244 Y HN 0.017 nan 8.280 nan 0.000 0.495 245 L N 0.370 121.581 121.223 -0.019 0.000 2.083 245 L HA -0.201 4.139 4.340 0.000 0.000 0.209 245 L C 2.637 179.484 176.870 -0.039 0.000 1.083 245 L CA 1.727 56.515 54.840 -0.087 0.000 0.752 245 L CB -1.410 40.643 42.059 -0.010 0.000 0.899 245 L HN 0.545 nan 8.230 nan 0.000 0.433 246 A N 0.935 123.735 122.820 -0.032 0.000 1.923 246 A HA -0.263 4.058 4.320 0.000 0.000 0.222 246 A C -0.184 177.342 177.584 -0.096 0.000 1.258 246 A CA 2.656 54.665 52.037 -0.047 0.000 0.670 246 A CB -2.213 16.777 19.000 -0.016 0.000 0.834 246 A HN 0.388 nan 8.150 nan 0.000 0.470 247 P HA -0.155 nan 4.420 nan 0.000 0.214 247 P C 1.105 178.189 177.300 -0.360 0.000 1.163 247 P CA 1.580 64.473 63.100 -0.344 0.000 0.883 247 P CB -0.353 30.932 31.700 -0.693 0.000 0.788 248 Y N -0.013 120.169 120.300 -0.196 0.000 2.165 248 Y HA -0.164 4.386 4.550 0.000 0.000 0.286 248 Y C 2.753 178.607 175.900 -0.077 0.000 1.155 248 Y CA 1.514 59.519 58.100 -0.157 0.000 1.164 248 Y CB -1.631 36.693 38.460 -0.227 0.000 0.978 248 Y HN -0.075 nan 8.280 nan 0.000 0.513 249 S N -0.081 115.643 115.700 0.040 0.000 2.354 249 S HA -0.216 4.254 4.470 0.000 0.000 0.219 249 S C 2.484 177.103 174.600 0.031 0.000 1.035 249 S CA 1.487 59.697 58.200 0.017 0.000 1.037 249 S CB -1.158 62.030 63.200 -0.020 0.000 0.956 249 S HN 0.667 nan 8.310 nan 0.000 0.428 250 G N -0.089 108.728 108.800 0.028 0.000 2.450 250 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 250 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 250 G C 1.720 176.669 174.900 0.082 0.000 1.130 250 G CA 1.142 46.270 45.100 0.047 0.000 0.760 250 G HN 0.591 nan 8.290 nan 0.000 0.557 251 C N 0.464 119.828 119.300 0.108 0.000 2.413 251 C HA -0.067 4.393 4.460 0.000 0.000 0.277 251 C C 3.273 178.333 174.990 0.117 0.000 1.228 251 C CA 1.797 60.893 59.018 0.130 0.000 1.731 251 C CB -0.993 26.811 27.740 0.107 0.000 2.042 251 C HN 0.386 nan 8.230 nan 0.000 0.468 252 S N 0.406 116.166 115.700 0.099 0.000 2.400 252 S HA -0.196 4.274 4.470 0.000 0.000 0.232 252 S C 1.675 176.345 174.600 0.118 0.000 1.025 252 S CA 2.103 60.359 58.200 0.094 0.000 0.993 252 S CB -0.365 62.874 63.200 0.064 0.000 0.808 252 S HN 0.674 nan 8.310 nan 0.000 0.478 253 M N 0.464 120.137 119.600 0.121 0.000 2.319 253 M HA 0.030 4.510 4.480 0.000 0.000 0.265 253 M C 2.384 178.875 176.300 0.318 0.000 1.068 253 M CA 1.186 56.580 55.300 0.157 0.000 1.118 253 M CB -0.569 32.105 32.600 0.124 0.000 1.395 253 M HN 0.406 nan 8.290 nan 0.000 0.435 254 G N 0.605 109.569 108.800 0.273 0.000 2.430 254 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 254 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 254 G C 1.272 176.382 174.900 0.350 0.000 1.146 254 G CA 0.266 45.574 45.100 0.346 0.000 0.793 254 G HN 0.507 nan 8.290 nan 0.000 0.537 255 E N -0.460 119.876 120.200 0.227 0.000 2.268 255 E HA -0.117 4.233 4.350 0.000 0.000 0.195 255 E C 1.838 178.516 176.600 0.131 0.000 0.995 255 E CA 0.462 56.958 56.400 0.160 0.000 0.836 255 E CB -0.246 29.517 29.700 0.104 0.000 0.763 255 E HN 0.598 nan 8.360 nan 0.000 0.491 256 Y N 1.156 121.469 120.300 0.023 0.000 2.030 256 Y HA -0.342 4.208 4.550 0.000 0.000 0.274 256 Y C 1.785 177.591 175.900 -0.157 0.000 1.153 256 Y CA 1.891 59.902 58.100 -0.148 0.000 1.115 256 Y CB -0.519 37.746 38.460 -0.325 0.000 0.969 256 Y HN -0.073 nan 8.280 nan 0.000 0.488 257 F N 0.401 120.338 119.950 -0.020 0.000 2.126 257 F HA -0.189 4.338 4.527 0.000 0.000 0.299 257 F C 2.814 178.572 175.800 -0.070 0.000 1.096 257 F CA 1.954 59.903 58.000 -0.085 0.000 1.255 257 F CB -0.730 38.330 39.000 0.100 0.000 0.997 257 F HN 0.017 nan 8.300 nan 0.000 0.479 258 R N 0.602 121.221 120.500 0.199 0.000 2.096 258 R HA -0.161 4.179 4.340 0.000 0.000 0.235 258 R C 1.198 177.532 176.300 0.056 0.000 1.127 258 R CA 1.913 58.096 56.100 0.139 0.000 0.968 258 R CB -0.422 29.957 30.300 0.132 0.000 0.861 258 R HN 0.163 nan 8.270 nan 0.000 0.440 259 D N 0.069 120.463 120.400 -0.010 0.000 2.355 259 D HA -0.016 4.624 4.640 0.000 0.000 0.218 259 D C -0.053 176.194 176.300 -0.088 0.000 1.004 259 D CA 0.711 54.695 54.000 -0.026 0.000 0.880 259 D CB 0.017 40.798 40.800 -0.032 0.000 0.911 259 D HN 0.399 nan 8.370 nan 0.000 0.528 260 N N -0.572 118.025 118.700 -0.172 0.000 2.535 260 N HA 0.254 4.994 4.740 0.000 0.000 0.294 260 N C 0.716 176.153 175.510 -0.123 0.000 1.408 260 N CA -0.156 52.769 53.050 -0.209 0.000 0.927 260 N CB 1.344 39.570 38.487 -0.434 0.000 1.276 260 N HN -0.071 nan 8.380 nan 0.000 0.505 261 G N 0.881 109.647 108.800 -0.057 0.000 2.244 261 G HA2 -0.362 3.598 3.960 0.000 0.000 0.274 261 G HA3 -0.362 3.598 3.960 0.000 0.000 0.274 261 G C 0.208 175.025 174.900 -0.139 0.000 1.002 261 G CA 0.955 46.019 45.100 -0.059 0.000 0.740 261 G HN 0.337 nan 8.290 nan 0.000 0.516 262 K N -0.932 119.424 120.400 -0.073 0.000 2.210 262 K HA 0.695 5.015 4.320 0.000 0.000 0.236 262 K C -0.036 176.576 176.600 0.020 0.000 1.016 262 K CA -0.793 55.485 56.287 -0.015 0.000 0.913 262 K CB 0.944 33.611 32.500 0.279 0.000 1.141 262 K HN 0.459 nan 8.250 nan 0.000 0.462 263 H N -0.625 118.602 119.070 0.260 0.000 2.489 263 H HA 0.608 5.164 4.556 0.000 0.000 0.343 263 H C -1.112 174.286 175.328 0.116 0.000 1.086 263 H CA -1.098 55.026 56.048 0.127 0.000 1.198 263 H CB 1.957 31.720 29.762 0.001 0.000 1.490 263 H HN 0.587 nan 8.280 nan 0.000 0.504 264 A N 2.777 125.708 122.820 0.184 0.000 2.454 264 A HA 0.621 4.941 4.320 0.000 0.000 0.302 264 A C -1.740 175.840 177.584 -0.007 0.000 1.079 264 A CA -0.646 51.402 52.037 0.019 0.000 0.731 264 A CB 1.529 20.537 19.000 0.013 0.000 1.299 264 A HN 0.506 nan 8.150 nan 0.000 0.413 265 L N 1.844 123.040 121.223 -0.045 0.000 2.406 265 L HA 0.797 5.137 4.340 0.000 0.000 0.272 265 L C -1.248 175.564 176.870 -0.097 0.000 0.980 265 L CA -0.361 54.443 54.840 -0.060 0.000 0.831 265 L CB 1.338 43.375 42.059 -0.037 0.000 1.253 265 L HN 0.708 nan 8.230 nan 0.000 0.406 266 I N 5.142 125.605 120.570 -0.179 0.000 2.465 266 I HA 0.565 4.735 4.170 0.000 0.000 0.291 266 I C -1.334 174.486 176.117 -0.493 0.000 1.014 266 I CA -0.625 60.481 61.300 -0.323 0.000 1.093 266 I CB 1.456 39.210 38.000 -0.409 0.000 1.267 266 I HN 0.595 nan 8.210 nan 0.000 0.431 267 I N 8.380 128.704 120.570 -0.411 0.000 2.336 267 I HA 0.246 4.416 4.170 0.000 0.000 0.292 267 I C -1.017 174.783 176.117 -0.528 0.000 0.991 267 I CA -0.192 60.885 61.300 -0.372 0.000 1.227 267 I CB 0.922 38.853 38.000 -0.115 0.000 1.366 267 I HN 0.319 nan 8.210 nan 0.000 0.466 268 Y N 3.989 124.156 120.300 -0.221 0.000 2.595 268 Y HA 0.396 4.946 4.550 0.000 0.000 0.336 268 Y C 0.028 175.776 175.900 -0.253 0.000 0.996 268 Y CA -0.929 57.012 58.100 -0.265 0.000 1.260 268 Y CB 0.309 38.615 38.460 -0.258 0.000 1.108 268 Y HN 0.403 nan 8.280 nan 0.000 0.509 269 D N 3.437 123.707 120.400 -0.216 0.000 2.472 269 D HA 0.208 4.848 4.640 0.000 0.000 0.234 269 D C -1.124 175.124 176.300 -0.088 0.000 1.088 269 D CA -0.425 53.478 54.000 -0.161 0.000 0.882 269 D CB 0.386 41.030 40.800 -0.260 0.000 1.037 269 D HN 0.599 nan 8.370 nan 0.000 0.520 270 D N 0.884 121.266 120.400 -0.030 0.000 2.423 270 D HA 0.242 4.882 4.640 0.000 0.000 0.235 270 D C 0.912 177.188 176.300 -0.040 0.000 1.011 270 D CA -0.749 53.236 54.000 -0.024 0.000 0.963 270 D CB 1.140 41.943 40.800 0.005 0.000 1.349 270 D HN 0.120 nan 8.370 nan 0.000 0.508 271 L N 0.348 121.516 121.223 -0.093 0.000 2.599 271 L HA 0.048 4.388 4.340 0.000 0.000 0.230 271 L C 1.445 178.319 176.870 0.008 0.000 1.141 271 L CA 0.244 54.979 54.840 -0.175 0.000 0.877 271 L CB -0.212 41.530 42.059 -0.528 0.000 1.009 271 L HN 0.396 nan 8.230 nan 0.000 0.447 272 S N 0.001 115.728 115.700 0.045 0.000 2.371 272 S HA -0.062 4.408 4.470 0.000 0.000 0.221 272 S C 1.880 176.569 174.600 0.148 0.000 1.036 272 S CA 0.865 59.128 58.200 0.105 0.000 0.965 272 S CB 0.170 63.420 63.200 0.084 0.000 0.845 272 S HN 0.370 nan 8.310 nan 0.000 0.475 273 K N 1.246 121.714 120.400 0.114 0.000 2.148 273 K HA -0.070 4.250 4.320 0.000 0.000 0.204 273 K C 2.312 179.006 176.600 0.156 0.000 1.050 273 K CA 0.797 57.160 56.287 0.125 0.000 0.942 273 K CB -0.123 32.431 32.500 0.090 0.000 0.724 273 K HN 0.348 nan 8.250 nan 0.000 0.446 274 Q N 0.932 120.821 119.800 0.149 0.000 2.119 274 Q HA -0.125 4.216 4.340 0.000 0.000 0.201 274 Q C 2.076 178.253 176.000 0.295 0.000 0.972 274 Q CA 1.302 57.222 55.803 0.196 0.000 0.847 274 Q CB -0.051 28.766 28.738 0.131 0.000 0.903 274 Q HN 0.317 nan 8.270 nan 0.000 0.433 275 A N 0.747 123.746 122.820 0.298 0.000 1.908 275 A HA -0.168 4.152 4.320 0.000 0.000 0.218 275 A C 2.193 180.050 177.584 0.454 0.000 1.181 275 A CA 1.779 54.014 52.037 0.331 0.000 0.627 275 A CB -1.175 17.913 19.000 0.147 0.000 0.818 275 A HN 0.441 nan 8.150 nan 0.000 0.445 276 V N -1.255 118.887 119.914 0.380 0.000 2.343 276 V HA -0.122 3.998 4.120 0.000 0.000 0.247 276 V C 2.497 178.709 176.094 0.197 0.000 1.051 276 V CA 2.327 64.792 62.300 0.274 0.000 1.036 276 V CB -1.229 30.699 31.823 0.175 0.000 0.654 276 V HN 0.593 nan 8.190 nan 0.000 0.451 277 A N -0.642 122.309 122.820 0.219 0.000 1.908 277 A HA -0.230 4.090 4.320 0.000 0.000 0.218 277 A C 2.229 179.947 177.584 0.223 0.000 1.181 277 A CA 2.214 54.372 52.037 0.202 0.000 0.627 277 A CB -1.136 18.015 19.000 0.252 0.000 0.818 277 A HN 0.886 nan 8.150 nan 0.000 0.445 278 Y N 0.555 120.958 120.300 0.172 0.000 2.145 278 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 278 Y C 2.490 178.421 175.900 0.052 0.000 1.145 278 Y CA 2.128 60.283 58.100 0.092 0.000 1.148 278 Y CB -0.601 37.972 38.460 0.187 0.000 0.981 278 Y HN 0.354 nan 8.280 nan 0.000 0.507 279 R N 0.362 120.878 120.500 0.027 0.000 2.096 279 R HA -0.293 4.047 4.340 0.000 0.000 0.240 279 R C 2.513 178.717 176.300 -0.159 0.000 1.139 279 R CA 2.211 58.243 56.100 -0.114 0.000 0.952 279 R CB -0.522 29.724 30.300 -0.089 0.000 0.854 279 R HN 0.657 nan 8.270 nan 0.000 0.436 280 Q N 0.354 120.108 119.800 -0.078 0.000 1.993 280 Q HA -0.265 4.076 4.340 0.000 0.000 0.202 280 Q C 2.238 178.176 176.000 -0.104 0.000 0.984 280 Q CA 2.145 57.904 55.803 -0.074 0.000 0.837 280 Q CB -0.283 28.441 28.738 -0.023 0.000 0.902 280 Q HN 0.499 nan 8.270 nan 0.000 0.423 281 M N 0.049 119.588 119.600 -0.102 0.000 2.082 281 M HA -0.218 4.262 4.480 0.000 0.000 0.258 281 M C 2.303 178.490 176.300 -0.187 0.000 1.069 281 M CA 2.178 57.398 55.300 -0.133 0.000 1.102 281 M CB -0.233 32.276 32.600 -0.151 0.000 1.336 281 M HN 0.307 nan 8.290 nan 0.000 0.404 282 S N 0.336 115.856 115.700 -0.299 0.000 2.368 282 S HA -0.084 4.386 4.470 0.000 0.000 0.225 282 S C 1.735 176.214 174.600 -0.202 0.000 1.030 282 S CA 1.280 59.282 58.200 -0.331 0.000 0.999 282 S CB -0.333 62.470 63.200 -0.661 0.000 0.844 282 S HN 0.565 nan 8.310 nan 0.000 0.459 283 L N 0.869 121.986 121.223 -0.177 0.000 2.109 283 L HA 0.025 4.365 4.340 0.000 0.000 0.207 283 L C 2.033 178.846 176.870 -0.094 0.000 1.086 283 L CA 0.789 55.556 54.840 -0.123 0.000 0.760 283 L CB -0.421 41.570 42.059 -0.113 0.000 0.910 283 L HN 0.304 nan 8.230 nan 0.000 0.437 284 L N -0.494 120.673 121.223 -0.094 0.000 2.456 284 L HA -0.164 4.176 4.340 0.000 0.000 0.224 284 L C 1.840 178.670 176.870 -0.067 0.000 1.148 284 L CA 0.689 55.486 54.840 -0.072 0.000 0.825 284 L CB -0.246 41.773 42.059 -0.067 0.000 0.937 284 L HN 0.298 nan 8.230 nan 0.000 0.450 285 L N -0.163 121.013 121.223 -0.078 0.000 2.628 285 L HA 0.158 4.498 4.340 0.000 0.000 0.229 285 L C 0.479 177.319 176.870 -0.050 0.000 1.137 285 L CA -0.171 54.632 54.840 -0.062 0.000 0.909 285 L CB 0.088 42.106 42.059 -0.068 0.000 1.137 285 L HN 0.242 nan 8.230 nan 0.000 0.470 286 R N -0.646 119.821 120.500 -0.054 0.000 3.878 286 R HA -0.173 4.167 4.340 0.000 0.000 0.330 286 R C -0.087 176.188 176.300 -0.042 0.000 1.186 286 R CA 0.496 56.570 56.100 -0.043 0.000 0.885 286 R CB -2.422 27.860 30.300 -0.030 0.000 1.377 286 R HN 0.342 nan 8.270 nan 0.000 0.523 287 R N 1.923 122.390 120.500 -0.055 0.000 2.248 287 R HA 0.226 4.566 4.340 0.000 0.000 0.328 287 R C -1.926 174.347 176.300 -0.045 0.000 1.067 287 R CA -1.646 54.427 56.100 -0.045 0.000 0.924 287 R CB 0.580 30.845 30.300 -0.059 0.000 1.013 287 R HN -0.125 nan 8.270 nan 0.000 0.454 288 P HA -0.061 nan 4.420 nan 0.000 0.261 288 P C -2.316 174.970 177.300 -0.023 0.000 1.165 288 P CA -0.652 62.434 63.100 -0.023 0.000 0.759 288 P CB -0.058 31.635 31.700 -0.011 0.000 0.772 289 P HA 0.178 nan 4.420 nan 0.000 0.272 289 P C 0.341 177.642 177.300 0.001 0.000 1.223 289 P CA 0.174 63.257 63.100 -0.028 0.000 0.784 289 P CB 0.852 32.526 31.700 -0.044 0.000 0.923 290 G N 0.971 109.792 108.800 0.035 0.000 3.122 290 G HA2 0.409 4.369 3.960 0.000 0.000 0.180 290 G HA3 0.409 4.369 3.960 0.000 0.000 0.180 290 G C -0.628 174.296 174.900 0.040 0.000 1.279 290 G CA -0.961 44.170 45.100 0.051 0.000 0.987 290 G HN 0.555 nan 8.290 nan 0.000 0.589 291 R N 0.312 120.818 120.500 0.010 0.000 2.566 291 R HA 0.040 4.380 4.340 0.000 0.000 0.273 291 R C 0.310 176.627 176.300 0.029 0.000 0.981 291 R CA 1.245 57.281 56.100 -0.106 0.000 1.091 291 R CB -0.221 29.834 30.300 -0.408 0.000 0.924 291 R HN 0.734 nan 8.270 nan 0.000 0.411 292 E N 2.351 122.552 120.200 0.001 0.000 2.971 292 E HA -0.375 3.975 4.350 0.000 0.000 0.271 292 E C 0.446 177.061 176.600 0.024 0.000 1.053 292 E CA 0.576 57.039 56.400 0.105 0.000 0.817 292 E CB -1.152 28.731 29.700 0.305 0.000 1.410 292 E HN 0.882 nan 8.360 nan 0.000 0.445 293 A N -2.682 120.128 122.820 -0.016 0.000 3.663 293 A HA -0.288 4.032 4.320 0.000 0.000 0.254 293 A C 0.200 177.703 177.584 -0.135 0.000 1.037 293 A CA 1.474 53.439 52.037 -0.120 0.000 1.450 293 A CB -1.661 17.214 19.000 -0.208 0.000 1.014 293 A HN 0.349 nan 8.150 nan 0.000 0.865 294 Y N 0.480 120.816 120.300 0.059 0.000 2.314 294 Y HA 0.469 5.019 4.550 0.000 0.000 0.334 294 Y C -1.680 174.245 175.900 0.042 0.000 1.266 294 Y CA -1.382 56.755 58.100 0.062 0.000 1.391 294 Y CB 0.002 38.561 38.460 0.164 0.000 1.306 294 Y HN 0.140 nan 8.280 nan 0.000 0.558 295 P HA -0.013 nan 4.420 nan 0.000 0.268 295 P C 0.631 178.055 177.300 0.206 0.000 1.208 295 P CA 0.455 63.611 63.100 0.094 0.000 0.777 295 P CB 0.617 32.290 31.700 -0.046 0.000 0.875 296 G N 1.470 110.369 108.800 0.164 0.000 2.498 296 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 296 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 296 G C 0.485 175.524 174.900 0.231 0.000 1.119 296 G CA 0.466 45.674 45.100 0.180 0.000 0.766 296 G HN 0.621 nan 8.290 nan 0.000 0.552 297 D N 0.664 121.231 120.400 0.279 0.000 2.615 297 D HA 0.067 4.707 4.640 0.000 0.000 0.236 297 D C 1.903 178.387 176.300 0.306 0.000 1.233 297 D CA -0.062 54.131 54.000 0.322 0.000 0.829 297 D CB -0.150 40.861 40.800 0.351 0.000 1.024 297 D HN 0.200 nan 8.370 nan 0.000 0.490 298 V N -1.439 118.631 119.914 0.260 0.000 2.407 298 V HA -0.171 3.949 4.120 0.000 0.000 0.248 298 V C 2.269 178.326 176.094 -0.061 0.000 1.055 298 V CA 1.061 63.398 62.300 0.062 0.000 1.049 298 V CB -1.379 30.394 31.823 -0.083 0.000 0.662 298 V HN 0.192 nan 8.190 nan 0.000 0.455 299 F N 1.192 121.106 119.950 -0.060 0.000 2.043 299 F HA -0.264 4.263 4.527 0.000 0.000 0.297 299 F C 2.417 178.246 175.800 0.048 0.000 1.121 299 F CA 2.088 60.065 58.000 -0.038 0.000 1.199 299 F CB -0.880 38.131 39.000 0.019 0.000 0.968 299 F HN 0.190 nan 8.300 nan 0.000 0.478 300 Y N 0.962 121.215 120.300 -0.079 0.000 2.151 300 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 300 Y C 2.343 178.105 175.900 -0.229 0.000 1.166 300 Y CA 1.893 59.865 58.100 -0.213 0.000 1.163 300 Y CB -1.180 37.275 38.460 -0.009 0.000 0.974 300 Y HN 0.306 nan 8.280 nan 0.000 0.511 301 L N -0.464 120.585 121.223 -0.290 0.000 2.043 301 L HA -0.288 4.052 4.340 0.000 0.000 0.212 301 L C 2.143 178.859 176.870 -0.256 0.000 1.075 301 L CA 2.477 57.075 54.840 -0.404 0.000 0.752 301 L CB -0.707 41.034 42.059 -0.529 0.000 0.891 301 L HN 0.383 nan 8.230 nan 0.000 0.432 302 H N -1.622 117.274 119.070 -0.289 0.000 2.431 302 H HA -0.011 4.545 4.556 0.000 0.000 0.295 302 H C 2.426 177.543 175.328 -0.353 0.000 1.038 302 H CA 0.696 56.553 56.048 -0.319 0.000 1.360 302 H CB 0.062 29.666 29.762 -0.263 0.000 1.433 302 H HN 0.559 nan 8.280 nan 0.000 0.536 303 S N 1.452 116.938 115.700 -0.356 0.000 2.351 303 S HA -0.281 4.189 4.470 0.000 0.000 0.220 303 S C 2.073 176.557 174.600 -0.193 0.000 1.035 303 S CA 1.309 59.284 58.200 -0.374 0.000 1.031 303 S CB -0.417 62.376 63.200 -0.678 0.000 0.928 303 S HN 0.303 nan 8.310 nan 0.000 0.433 304 R N 0.524 120.904 120.500 -0.199 0.000 2.140 304 R HA -0.153 4.188 4.340 0.000 0.000 0.250 304 R C 2.397 178.648 176.300 -0.081 0.000 1.150 304 R CA 1.813 57.823 56.100 -0.151 0.000 0.966 304 R CB -0.547 29.512 30.300 -0.402 0.000 0.869 304 R HN 0.560 nan 8.270 nan 0.000 0.445 305 L N 0.245 121.404 121.223 -0.107 0.000 2.022 305 L HA -0.044 4.296 4.340 0.000 0.000 0.204 305 L C 1.909 178.693 176.870 -0.143 0.000 1.076 305 L CA 1.518 56.264 54.840 -0.158 0.000 0.749 305 L CB -0.334 41.466 42.059 -0.432 0.000 0.903 305 L HN 0.168 nan 8.230 nan 0.000 0.439 306 L N -0.197 120.927 121.223 -0.164 0.000 2.353 306 L HA -0.147 4.193 4.340 0.000 0.000 0.220 306 L C 2.480 179.336 176.870 -0.024 0.000 1.133 306 L CA 0.688 55.488 54.840 -0.067 0.000 0.798 306 L CB -0.716 41.295 42.059 -0.080 0.000 0.922 306 L HN 0.399 nan 8.230 nan 0.000 0.445 307 E N 0.445 120.624 120.200 -0.036 0.000 2.150 307 E HA -0.176 4.174 4.350 0.000 0.000 0.193 307 E C 2.255 178.856 176.600 0.000 0.000 0.985 307 E CA 0.793 57.185 56.400 -0.013 0.000 0.814 307 E CB 0.021 29.717 29.700 -0.007 0.000 0.752 307 E HN 0.498 nan 8.360 nan 0.000 0.466 308 R N 0.777 121.281 120.500 0.007 0.000 2.127 308 R HA -0.043 4.297 4.340 0.000 0.000 0.238 308 R C 1.096 177.416 176.300 0.033 0.000 1.134 308 R CA 0.751 56.865 56.100 0.024 0.000 0.975 308 R CB -0.263 30.061 30.300 0.039 0.000 0.865 308 R HN -0.042 nan 8.270 nan 0.000 0.447 309 A N 1.009 123.854 122.820 0.041 0.000 2.492 309 A HA 0.506 4.826 4.320 0.000 0.000 0.254 309 A C -0.096 177.497 177.584 0.015 0.000 1.091 309 A CA 0.417 52.476 52.037 0.036 0.000 0.768 309 A CB 0.185 19.209 19.000 0.040 0.000 1.028 309 A HN 0.367 nan 8.150 nan 0.000 0.498 310 A N 2.303 125.130 122.820 0.012 0.000 2.601 310 A HA 0.699 5.019 4.320 0.000 0.000 0.291 310 A C -0.860 176.724 177.584 -0.000 0.000 1.075 310 A CA -0.749 51.286 52.037 -0.003 0.000 0.671 310 A CB 0.969 19.960 19.000 -0.016 0.000 1.277 310 A HN 0.866 nan 8.150 nan 0.000 0.417 311 K N 1.610 122.004 120.400 -0.011 0.000 2.316 311 K HA 0.595 4.915 4.320 0.000 0.000 0.267 311 K C -0.628 175.971 176.600 -0.000 0.000 1.025 311 K CA -0.298 55.988 56.287 -0.002 0.000 0.896 311 K CB 0.399 32.890 32.500 -0.015 0.000 1.124 311 K HN 0.619 nan 8.250 nan 0.000 0.451 312 M N 3.164 122.783 119.600 0.030 0.000 2.249 312 M HA 0.216 4.696 4.480 0.000 0.000 0.351 312 M C 0.331 176.686 176.300 0.092 0.000 1.180 312 M CA -0.808 54.512 55.300 0.032 0.000 1.127 312 M CB 0.513 33.160 32.600 0.078 0.000 1.546 312 M HN 0.705 nan 8.290 nan 0.000 0.461 313 N N 1.335 120.114 118.700 0.131 0.000 2.317 313 N HA 0.023 4.763 4.740 0.000 0.000 0.245 313 N C 0.162 175.782 175.510 0.182 0.000 1.294 313 N CA -0.149 52.996 53.050 0.158 0.000 0.924 313 N CB 0.388 38.980 38.487 0.175 0.000 1.186 313 N HN 0.439 nan 8.380 nan 0.000 0.495 314 D N -0.664 119.807 120.400 0.118 0.000 2.221 314 D HA -0.134 4.506 4.640 0.000 0.000 0.204 314 D C 1.585 177.917 176.300 0.053 0.000 0.982 314 D CA 1.570 55.616 54.000 0.076 0.000 0.857 314 D CB -0.497 40.329 40.800 0.043 0.000 0.934 314 D HN 0.717 nan 8.370 nan 0.000 0.475 315 A N -0.132 122.731 122.820 0.072 0.000 2.070 315 A HA -0.124 4.196 4.320 0.000 0.000 0.220 315 A C 1.282 178.672 177.584 -0.323 0.000 1.159 315 A CA 0.855 52.823 52.037 -0.115 0.000 0.656 315 A CB -0.467 18.464 19.000 -0.115 0.000 0.800 315 A HN 0.168 nan 8.150 nan 0.000 0.453 316 F N -1.600 118.350 119.950 -0.001 0.000 2.668 316 F HA 0.447 4.974 4.527 0.000 0.000 0.301 316 F C 1.602 177.396 175.800 -0.009 0.000 1.106 316 F CA 0.314 58.311 58.000 -0.005 0.000 1.289 316 F CB 0.576 39.576 39.000 -0.000 0.000 1.006 316 F HN 0.298 nan 8.300 nan 0.000 0.535 317 G N -0.497 108.369 108.800 0.109 0.000 2.218 317 G HA2 -0.085 3.875 3.960 0.000 0.000 0.216 317 G HA3 -0.085 3.875 3.960 0.000 0.000 0.216 317 G C 1.293 176.237 174.900 0.073 0.000 0.994 317 G CA -0.156 44.979 45.100 0.058 0.000 0.637 317 G HN 1.003 nan 8.290 nan 0.000 0.505 318 G N -0.229 108.643 108.800 0.120 0.000 2.186 318 G HA2 0.130 4.090 3.960 0.000 0.000 0.266 318 G HA3 0.130 4.090 3.960 0.000 0.000 0.266 318 G C 1.530 176.535 174.900 0.175 0.000 0.982 318 G CA 1.260 46.435 45.100 0.125 0.000 0.670 318 G HN 2.089 nan 8.290 nan 0.000 0.533 319 G N -0.662 108.225 108.800 0.145 0.000 2.653 319 G HA2 0.712 4.672 3.960 0.000 0.000 0.265 319 G HA3 0.712 4.672 3.960 0.000 0.000 0.265 319 G C 0.318 175.355 174.900 0.228 0.000 1.237 319 G CA 1.035 46.253 45.100 0.196 0.000 0.946 319 G HN 1.922 nan 8.290 nan 0.000 0.522 320 S N -1.887 113.982 115.700 0.281 0.000 2.587 320 S HA 0.564 5.034 4.470 0.000 0.000 0.269 320 S C -1.787 172.889 174.600 0.126 0.000 1.154 320 S CA -0.800 57.483 58.200 0.138 0.000 0.824 320 S CB 1.798 65.015 63.200 0.027 0.000 1.118 320 S HN 1.165 nan 8.310 nan 0.000 0.462 321 L N 1.618 122.879 121.223 0.064 0.000 2.406 321 L HA 0.780 5.120 4.340 0.000 0.000 0.272 321 L C -0.853 176.020 176.870 0.006 0.000 0.980 321 L CA 0.221 55.092 54.840 0.051 0.000 0.831 321 L CB 1.829 43.929 42.059 0.068 0.000 1.253 321 L HN 0.964 nan 8.230 nan 0.000 0.406 322 T N 4.234 118.775 114.554 -0.022 0.000 2.797 322 T HA 0.869 5.219 4.350 0.000 0.000 0.279 322 T C -0.421 174.239 174.700 -0.066 0.000 0.991 322 T CA -0.343 61.731 62.100 -0.043 0.000 0.979 322 T CB 1.485 70.316 68.868 -0.062 0.000 0.943 322 T HN 0.797 nan 8.240 nan 0.000 0.444 323 A N 3.296 126.085 122.820 -0.051 0.000 2.350 323 A HA 0.821 5.141 4.320 0.000 0.000 0.324 323 A C -0.665 176.877 177.584 -0.069 0.000 1.118 323 A CA -0.755 51.227 52.037 -0.092 0.000 0.783 323 A CB 0.759 19.777 19.000 0.029 0.000 1.236 323 A HN 0.861 nan 8.150 nan 0.000 0.457 324 L N 4.014 125.159 121.223 -0.130 0.000 2.457 324 L HA 0.331 4.672 4.340 0.000 0.000 0.252 324 L C -2.502 174.337 176.870 -0.052 0.000 1.132 324 L CA -1.696 53.105 54.840 -0.065 0.000 0.938 324 L CB 1.765 43.790 42.059 -0.056 0.000 1.246 324 L HN 0.481 nan 8.230 nan 0.000 0.476 325 P HA 0.250 nan 4.420 nan 0.000 0.278 325 P C -0.571 176.737 177.300 0.013 0.000 1.238 325 P CA -0.276 62.879 63.100 0.091 0.000 0.794 325 P CB 2.071 33.809 31.700 0.063 0.000 0.955 326 V N 3.698 123.610 119.914 -0.002 0.000 2.628 326 V HA 0.496 4.616 4.120 0.000 0.000 0.306 326 V C 0.193 176.280 176.094 -0.012 0.000 1.045 326 V CA -0.596 61.705 62.300 0.002 0.000 0.905 326 V CB 1.851 33.680 31.823 0.009 0.000 0.997 326 V HN 0.423 nan 8.190 nan 0.000 0.436 327 I N 2.817 123.395 120.570 0.012 0.000 2.619 327 I HA 0.417 4.587 4.170 0.000 0.000 0.292 327 I C -0.308 175.840 176.117 0.050 0.000 1.100 327 I CA -0.437 60.874 61.300 0.019 0.000 1.043 327 I CB 2.272 40.280 38.000 0.013 0.000 1.239 327 I HN 0.823 nan 8.210 nan 0.000 0.420 328 E N 4.618 124.852 120.200 0.057 0.000 2.109 328 E HA 0.427 4.777 4.350 0.000 0.000 0.278 328 E C -0.397 176.254 176.600 0.084 0.000 0.954 328 E CA -0.391 56.050 56.400 0.069 0.000 0.779 328 E CB 1.130 30.867 29.700 0.062 0.000 1.093 328 E HN 0.704 nan 8.360 nan 0.000 0.401 329 T N 1.860 116.477 114.554 0.105 0.000 2.810 329 T HA 0.322 4.672 4.350 0.000 0.000 0.277 329 T C 0.012 174.772 174.700 0.100 0.000 0.973 329 T CA -0.883 61.285 62.100 0.113 0.000 0.949 329 T CB 1.163 70.131 68.868 0.167 0.000 1.075 329 T HN 0.437 nan 8.240 nan 0.000 0.537 330 Q N -0.217 119.642 119.800 0.098 0.000 2.356 330 Q HA 0.549 4.889 4.340 0.000 0.000 0.270 330 Q C -0.083 175.970 176.000 0.087 0.000 1.058 330 Q CA -0.668 55.185 55.803 0.084 0.000 0.802 330 Q CB 1.940 30.725 28.738 0.079 0.000 1.303 330 Q HN 1.270 nan 8.270 nan 0.000 0.444 331 A N 1.631 124.499 122.820 0.080 0.000 2.640 331 A HA -0.182 4.138 4.320 0.000 0.000 0.300 331 A C 1.160 178.810 177.584 0.111 0.000 1.499 331 A CA 1.099 53.184 52.037 0.082 0.000 0.759 331 A CB -2.217 16.824 19.000 0.069 0.000 1.048 331 A HN 1.537 nan 8.150 nan 0.000 0.450 332 G N -0.462 108.423 108.800 0.143 0.000 2.393 332 G HA2 -0.262 3.698 3.960 0.000 0.000 0.304 332 G HA3 -0.262 3.698 3.960 0.000 0.000 0.304 332 G C 0.083 175.125 174.900 0.236 0.000 0.977 332 G CA 1.349 46.598 45.100 0.248 0.000 0.803 332 G HN 1.763 nan 8.290 nan 0.000 0.511 333 D N -0.214 120.266 120.400 0.134 0.000 2.422 333 D HA 0.376 5.016 4.640 0.000 0.000 0.227 333 D C 1.684 177.994 176.300 0.016 0.000 1.190 333 D CA 0.121 54.161 54.000 0.068 0.000 0.905 333 D CB 0.717 41.554 40.800 0.062 0.000 1.034 333 D HN 0.303 nan 8.370 nan 0.000 0.507 334 V N 1.378 121.231 119.914 -0.100 0.000 3.041 334 V HA -0.075 4.045 4.120 0.000 0.000 0.260 334 V C 1.838 177.865 176.094 -0.111 0.000 1.105 334 V CA 0.980 63.160 62.300 -0.199 0.000 1.125 334 V CB -0.538 30.978 31.823 -0.513 0.000 0.730 334 V HN 0.371 nan 8.190 nan 0.000 0.479 335 S N 1.166 116.825 115.700 -0.067 0.000 2.447 335 S HA 0.250 4.720 4.470 0.000 0.000 0.233 335 S C 1.422 176.031 174.600 0.015 0.000 1.006 335 S CA 0.567 58.750 58.200 -0.029 0.000 0.957 335 S CB -0.549 62.641 63.200 -0.017 0.000 0.773 335 S HN 0.956 nan 8.310 nan 0.000 0.507 336 A N 1.419 124.259 122.820 0.033 0.000 2.624 336 A HA -0.010 4.310 4.320 0.000 0.000 0.231 336 A C 0.941 178.591 177.584 0.110 0.000 1.034 336 A CA 0.131 52.217 52.037 0.082 0.000 0.754 336 A CB -0.392 18.656 19.000 0.080 0.000 0.953 336 A HN 0.445 nan 8.150 nan 0.000 0.509 337 Y N 2.935 123.247 120.300 0.021 0.000 2.030 337 Y HA -0.296 4.254 4.550 0.000 0.000 0.272 337 Y C 1.704 177.610 175.900 0.010 0.000 1.185 337 Y CA 2.711 60.821 58.100 0.016 0.000 1.120 337 Y CB -0.499 37.980 38.460 0.031 0.000 0.955 337 Y HN 0.596 nan 8.280 nan 0.000 0.495 338 I N 0.334 120.797 120.570 -0.179 0.000 2.113 338 I HA -0.215 3.955 4.170 0.000 0.000 0.238 338 I C -0.651 175.387 176.117 -0.131 0.000 1.070 338 I CA 1.760 62.885 61.300 -0.291 0.000 1.332 338 I CB -1.690 36.176 38.000 -0.224 0.000 1.044 338 I HN 0.174 nan 8.210 nan 0.000 0.402 339 P HA -0.231 nan 4.420 nan 0.000 0.217 339 P C 1.695 178.974 177.300 -0.034 0.000 1.158 339 P CA 2.726 65.812 63.100 -0.023 0.000 0.887 339 P CB -0.429 31.266 31.700 -0.008 0.000 0.792 340 T N -4.639 109.892 114.554 -0.039 0.000 2.951 340 T HA -0.071 4.279 4.350 0.000 0.000 0.268 340 T C 1.697 176.380 174.700 -0.029 0.000 1.073 340 T CA 1.093 63.174 62.100 -0.030 0.000 1.134 340 T CB -1.012 67.849 68.868 -0.012 0.000 0.884 340 T HN -0.027 nan 8.240 nan 0.000 0.479 341 N N 1.401 120.052 118.700 -0.082 0.000 2.069 341 N HA -0.048 4.692 4.740 0.000 0.000 0.191 341 N C 1.882 177.466 175.510 0.123 0.000 1.031 341 N CA 1.241 54.283 53.050 -0.014 0.000 0.852 341 N CB -0.650 37.769 38.487 -0.114 0.000 1.018 341 N HN 0.378 nan 8.380 nan 0.000 0.423 342 V N 1.032 120.980 119.914 0.057 0.000 2.488 342 V HA -0.033 4.087 4.120 0.000 0.000 0.246 342 V C 2.138 178.258 176.094 0.042 0.000 1.046 342 V CA 0.811 63.145 62.300 0.055 0.000 1.053 342 V CB -0.367 31.458 31.823 0.003 0.000 0.679 342 V HN 0.237 nan 8.190 nan 0.000 0.458 343 I N 1.736 122.319 120.570 0.023 0.000 2.530 343 I HA -0.195 3.975 4.170 0.000 0.000 0.257 343 I C 2.176 178.315 176.117 0.037 0.000 1.179 343 I CA 1.836 63.145 61.300 0.016 0.000 1.440 343 I CB -0.354 37.641 38.000 -0.009 0.000 1.087 343 I HN 0.493 nan 8.210 nan 0.000 0.440 344 S N -0.619 115.122 115.700 0.069 0.000 2.710 344 S HA 0.234 4.704 4.470 0.000 0.000 0.224 344 S C 1.247 175.941 174.600 0.158 0.000 0.948 344 S CA -0.100 58.155 58.200 0.093 0.000 0.949 344 S CB -0.143 63.099 63.200 0.070 0.000 0.778 344 S HN 0.427 nan 8.310 nan 0.000 0.498 345 I N 0.981 121.628 120.570 0.129 0.000 4.033 345 I HA 0.087 4.257 4.170 0.000 0.000 0.296 345 I C 1.265 177.411 176.117 0.048 0.000 1.210 345 I CA 0.450 61.813 61.300 0.105 0.000 1.341 345 I CB 0.231 38.263 38.000 0.052 0.000 1.369 345 I HN 0.360 nan 8.210 nan 0.000 0.453 346 T N -1.388 113.186 114.554 0.033 0.000 2.766 346 T HA 0.061 4.411 4.350 0.000 0.000 0.295 346 T C 0.302 175.015 174.700 0.021 0.000 1.024 346 T CA -0.302 61.810 62.100 0.020 0.000 1.018 346 T CB 0.618 69.494 68.868 0.014 0.000 1.002 346 T HN 0.037 nan 8.240 nan 0.000 0.532 347 D N 0.989 121.397 120.400 0.014 0.000 2.690 347 D HA 0.414 5.054 4.640 0.000 0.000 0.236 347 D C 0.958 177.265 176.300 0.011 0.000 1.218 347 D CA 0.373 54.380 54.000 0.011 0.000 0.829 347 D CB -0.410 40.393 40.800 0.005 0.000 1.009 347 D HN 0.993 nan 8.370 nan 0.000 0.482 348 G N 0.701 109.511 108.800 0.015 0.000 2.353 348 G HA2 0.165 4.125 3.960 0.000 0.000 0.424 348 G HA3 0.165 4.125 3.960 0.000 0.000 0.424 348 G C -1.808 173.106 174.900 0.024 0.000 1.320 348 G CA -1.014 44.097 45.100 0.018 0.000 0.995 348 G HN 0.106 nan 8.290 nan 0.000 0.580 349 Q N -1.291 118.529 119.800 0.034 0.000 2.391 349 Q HA 0.715 5.055 4.340 0.000 0.000 0.279 349 Q C -0.773 175.273 176.000 0.077 0.000 1.028 349 Q CA -0.600 55.234 55.803 0.051 0.000 0.836 349 Q CB 2.156 30.926 28.738 0.054 0.000 1.414 349 Q HN 0.724 nan 8.270 nan 0.000 0.397 350 I N 2.113 122.739 120.570 0.093 0.000 2.359 350 I HA 0.380 4.550 4.170 0.000 0.000 0.284 350 I C -1.099 175.123 176.117 0.175 0.000 1.018 350 I CA -0.708 60.655 61.300 0.105 0.000 1.173 350 I CB 0.550 38.589 38.000 0.064 0.000 1.326 350 I HN 0.532 nan 8.210 nan 0.000 0.462 351 F N 8.205 128.167 119.950 0.020 0.000 2.385 351 F HA 0.527 5.054 4.527 0.000 0.000 0.360 351 F C -0.780 175.037 175.800 0.028 0.000 1.122 351 F CA -0.707 57.307 58.000 0.022 0.000 1.090 351 F CB 0.684 39.698 39.000 0.023 0.000 1.150 351 F HN 0.197 nan 8.300 nan 0.000 0.472 352 L N 6.176 127.190 121.223 -0.348 0.000 2.275 352 L HA 0.434 4.774 4.340 0.000 0.000 0.288 352 L C -0.287 176.197 176.870 -0.643 0.000 1.046 352 L CA -0.505 54.109 54.840 -0.375 0.000 0.805 352 L CB 1.318 43.282 42.059 -0.158 0.000 1.193 352 L HN 0.584 nan 8.230 nan 0.000 0.426 353 E N 0.302 120.215 120.200 -0.478 0.000 2.191 353 E HA 0.175 4.526 4.350 0.000 0.000 0.274 353 E C 0.563 177.077 176.600 -0.144 0.000 0.948 353 E CA -0.301 55.874 56.400 -0.374 0.000 0.802 353 E CB 2.054 31.597 29.700 -0.261 0.000 1.137 353 E HN 0.693 nan 8.360 nan 0.000 0.397 354 T N -0.754 113.741 114.554 -0.098 0.000 2.951 354 T HA -0.151 4.199 4.350 0.000 0.000 0.268 354 T C 1.497 176.268 174.700 0.118 0.000 1.073 354 T CA 1.005 63.068 62.100 -0.061 0.000 1.134 354 T CB 0.087 68.951 68.868 -0.006 0.000 0.884 354 T HN 0.539 nan 8.240 nan 0.000 0.479 355 E N 1.075 121.342 120.200 0.112 0.000 2.038 355 E HA -0.131 4.219 4.350 0.000 0.000 0.195 355 E C 2.172 178.858 176.600 0.143 0.000 1.000 355 E CA 1.279 57.771 56.400 0.154 0.000 0.803 355 E CB -0.333 29.426 29.700 0.098 0.000 0.750 355 E HN 0.591 nan 8.360 nan 0.000 0.448 356 L N 0.046 121.316 121.223 0.078 0.000 2.017 356 L HA -0.168 4.172 4.340 0.000 0.000 0.208 356 L C 2.558 179.468 176.870 0.066 0.000 1.073 356 L CA 1.262 56.136 54.840 0.057 0.000 0.745 356 L CB -0.591 41.476 42.059 0.014 0.000 0.894 356 L HN 0.211 nan 8.230 nan 0.000 0.432 357 F N 0.105 119.982 119.950 -0.123 0.000 2.043 357 F HA -0.338 4.189 4.527 0.000 0.000 0.297 357 F C 2.446 178.135 175.800 -0.184 0.000 1.121 357 F CA 1.807 59.677 58.000 -0.217 0.000 1.199 357 F CB -0.498 38.274 39.000 -0.379 0.000 0.968 357 F HN -0.066 nan 8.300 nan 0.000 0.478 358 Y N 0.316 120.797 120.300 0.302 0.000 2.224 358 Y HA -0.173 4.377 4.550 0.000 0.000 0.289 358 Y C 2.369 178.310 175.900 0.069 0.000 1.146 358 Y CA 1.609 59.822 58.100 0.188 0.000 1.182 358 Y CB -0.875 37.678 38.460 0.155 0.000 0.983 358 Y HN 0.036 nan 8.280 nan 0.000 0.524 359 K N -0.896 119.615 120.400 0.184 0.000 2.442 359 K HA -0.035 4.285 4.320 0.000 0.000 0.198 359 K C 1.555 178.180 176.600 0.041 0.000 1.044 359 K CA 0.941 57.289 56.287 0.101 0.000 0.948 359 K CB -0.301 32.249 32.500 0.084 0.000 0.762 359 K HN 0.523 nan 8.250 nan 0.000 0.472 360 G N 0.594 109.385 108.800 -0.016 0.000 2.278 360 G HA2 -0.220 3.740 3.960 0.000 0.000 0.210 360 G HA3 -0.220 3.740 3.960 0.000 0.000 0.210 360 G C 0.238 175.071 174.900 -0.112 0.000 1.000 360 G CA -0.316 44.742 45.100 -0.070 0.000 0.635 360 G HN 0.186 nan 8.290 nan 0.000 0.495 361 I N 3.106 123.629 120.570 -0.078 0.000 2.472 361 I HA 0.199 4.369 4.170 0.000 0.000 0.305 361 I C 0.598 176.633 176.117 -0.136 0.000 1.196 361 I CA 0.277 61.533 61.300 -0.073 0.000 1.613 361 I CB -0.146 37.844 38.000 -0.017 0.000 1.501 361 I HN 0.090 nan 8.210 nan 0.000 0.754 362 R N 6.338 126.723 120.500 -0.191 0.000 2.360 362 R HA 0.437 4.777 4.340 0.000 0.000 0.318 362 R C -2.592 173.626 176.300 -0.136 0.000 0.950 362 R CA -1.940 54.014 56.100 -0.243 0.000 0.837 362 R CB 1.023 31.058 30.300 -0.441 0.000 1.165 362 R HN 0.131 nan 8.270 nan 0.000 0.458 363 P HA -0.018 nan 4.420 nan 0.000 0.269 363 P C -0.123 177.153 177.300 -0.041 0.000 1.209 363 P CA 0.031 63.095 63.100 -0.059 0.000 0.776 363 P CB 0.781 32.461 31.700 -0.033 0.000 0.876 364 A N 3.965 126.784 122.820 -0.002 0.000 2.604 364 A HA 0.094 4.414 4.320 0.000 0.000 0.248 364 A C 0.567 178.123 177.584 -0.047 0.000 1.466 364 A CA -0.082 51.950 52.037 -0.007 0.000 1.222 364 A CB -1.573 17.459 19.000 0.054 0.000 0.945 364 A HN 0.489 nan 8.150 nan 0.000 0.600 365 I N 1.089 121.645 120.570 -0.024 0.000 2.556 365 I HA -0.015 4.155 4.170 0.000 0.000 0.284 365 I C 0.633 176.756 176.117 0.009 0.000 1.114 365 I CA -0.144 61.151 61.300 -0.008 0.000 1.418 365 I CB 0.472 38.481 38.000 0.015 0.000 1.394 365 I HN 0.334 nan 8.210 nan 0.000 0.552 366 N N 6.728 125.445 118.700 0.030 0.000 2.500 366 N HA 0.115 4.855 4.740 0.000 0.000 0.236 366 N C 0.719 176.297 175.510 0.114 0.000 1.022 366 N CA -0.142 52.959 53.050 0.085 0.000 0.935 366 N CB 1.312 39.891 38.487 0.153 0.000 1.147 366 N HN 0.428 nan 8.380 nan 0.000 0.512 367 V N 4.070 124.036 119.914 0.086 0.000 2.222 367 V HA -0.290 3.830 4.120 0.000 0.000 0.252 367 V C 2.410 178.553 176.094 0.082 0.000 1.060 367 V CA 2.576 64.923 62.300 0.078 0.000 1.027 367 V CB -1.118 30.751 31.823 0.077 0.000 0.644 367 V HN 0.770 nan 8.190 nan 0.000 0.448 368 G N -0.609 108.241 108.800 0.083 0.000 2.476 368 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 368 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 368 G C 1.485 176.430 174.900 0.074 0.000 1.164 368 G CA 1.277 46.419 45.100 0.071 0.000 0.768 368 G HN 0.509 nan 8.290 nan 0.000 0.560 369 L N 0.756 122.048 121.223 0.116 0.000 2.418 369 L HA 0.157 4.497 4.340 0.000 0.000 0.218 369 L C 0.775 177.704 176.870 0.098 0.000 1.125 369 L CA -0.109 54.791 54.840 0.100 0.000 0.835 369 L CB -0.017 42.136 42.059 0.156 0.000 0.953 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.184 115.957 115.700 0.121 0.000 2.585 370 S HA 0.591 5.061 4.470 0.000 0.000 0.277 370 S C -0.138 174.499 174.600 0.061 0.000 1.241 370 S CA -0.641 57.620 58.200 0.101 0.000 1.041 370 S CB 2.185 65.451 63.200 0.109 0.000 0.987 370 S HN 0.090 nan 8.310 nan 0.000 0.512 371 V N -0.910 119.031 119.914 0.045 0.000 3.206 371 V HA 0.954 5.074 4.120 0.000 0.000 0.305 371 V C -0.723 175.386 176.094 0.025 0.000 1.257 371 V CA -0.854 61.464 62.300 0.030 0.000 1.057 371 V CB 1.773 33.608 31.823 0.021 0.000 1.075 371 V HN 0.785 nan 8.190 nan 0.000 0.443 372 S N 0.233 115.943 115.700 0.018 0.000 2.733 372 S HA 0.522 4.992 4.470 0.000 0.000 0.294 372 S C 0.370 174.975 174.600 0.008 0.000 1.149 372 S CA -0.765 57.442 58.200 0.012 0.000 1.034 372 S CB 1.684 64.889 63.200 0.009 0.000 1.015 372 S HN 0.852 nan 8.310 nan 0.000 0.486 373 R N 3.212 123.716 120.500 0.007 0.000 2.313 373 R HA 0.113 4.453 4.340 0.000 0.000 0.199 373 R C 0.992 177.293 176.300 0.002 0.000 0.958 373 R CA 0.403 56.506 56.100 0.006 0.000 1.047 373 R CB -0.134 30.171 30.300 0.008 0.000 0.955 373 R HN 0.495 nan 8.270 nan 0.000 0.481 374 V N 0.136 120.049 119.914 -0.001 0.000 3.307 374 V HA 0.116 4.236 4.120 0.000 0.000 0.253 374 V C 1.319 177.410 176.094 -0.005 0.000 1.149 374 V CA 1.076 63.372 62.300 -0.006 0.000 1.112 374 V CB 0.052 31.867 31.823 -0.012 0.000 0.777 374 V HN 0.650 nan 8.190 nan 0.000 0.464 375 G N 1.154 109.953 108.800 -0.002 0.000 2.601 375 G HA2 -0.335 3.625 3.960 0.000 0.000 0.252 375 G HA3 -0.335 3.625 3.960 0.000 0.000 0.252 375 G C 0.964 175.862 174.900 -0.003 0.000 1.294 375 G CA 0.560 45.659 45.100 -0.001 0.000 0.912 375 G HN 0.845 nan 8.290 nan 0.000 0.574 376 S N -0.343 115.356 115.700 -0.002 0.000 2.474 376 S HA 0.233 4.703 4.470 0.000 0.000 0.235 376 S C 2.557 177.152 174.600 -0.007 0.000 0.997 376 S CA 1.592 59.790 58.200 -0.003 0.000 0.949 376 S CB -0.321 62.879 63.200 0.000 0.000 0.766 376 S HN 2.154 nan 8.310 nan 0.000 0.517 377 A N 1.197 124.012 122.820 -0.009 0.000 2.186 377 A HA 0.328 4.648 4.320 0.000 0.000 0.219 377 A C 2.039 179.610 177.584 -0.021 0.000 1.159 377 A CA 1.320 53.349 52.037 -0.013 0.000 0.680 377 A CB -0.838 18.155 19.000 -0.013 0.000 0.787 377 A HN 0.906 nan 8.150 nan 0.000 0.467 378 A N -1.555 121.252 122.820 -0.022 0.000 2.465 378 A HA 0.399 4.719 4.320 0.000 0.000 0.255 378 A C 0.605 178.170 177.584 -0.032 0.000 1.274 378 A CA -0.224 51.793 52.037 -0.034 0.000 0.920 378 A CB 0.103 19.081 19.000 -0.036 0.000 1.033 378 A HN 0.549 nan 8.150 nan 0.000 0.516 379 Q N 0.576 120.364 119.800 -0.021 0.000 2.306 379 Q HA 0.434 4.774 4.340 0.000 0.000 0.265 379 Q C -0.004 175.989 176.000 -0.012 0.000 1.022 379 Q CA -0.528 55.267 55.803 -0.014 0.000 0.853 379 Q CB 1.874 30.609 28.738 -0.004 0.000 1.327 379 Q HN 0.460 nan 8.270 nan 0.000 0.449 380 T N -0.757 113.792 114.554 -0.008 0.000 2.900 380 T HA 0.135 4.485 4.350 0.000 0.000 0.307 380 T C 0.897 175.599 174.700 0.004 0.000 1.065 380 T CA -0.291 61.806 62.100 -0.004 0.000 1.105 380 T CB 0.846 69.715 68.868 0.001 0.000 0.979 380 T HN 0.577 nan 8.240 nan 0.000 0.544 381 R N 1.700 122.202 120.500 0.005 0.000 2.127 381 R HA 0.025 4.365 4.340 0.000 0.000 0.238 381 R C 2.760 179.071 176.300 0.018 0.000 1.134 381 R CA 1.558 57.664 56.100 0.010 0.000 0.975 381 R CB -1.109 29.196 30.300 0.009 0.000 0.865 381 R HN 0.864 nan 8.270 nan 0.000 0.447 382 A N 0.504 123.334 122.820 0.017 0.000 1.873 382 A HA -0.267 4.053 4.320 0.000 0.000 0.218 382 A C 2.119 179.725 177.584 0.036 0.000 1.193 382 A CA 1.906 53.959 52.037 0.025 0.000 0.629 382 A CB -0.515 18.495 19.000 0.017 0.000 0.826 382 A HN 0.303 nan 8.150 nan 0.000 0.447 383 M N -0.168 119.448 119.600 0.028 0.000 2.099 383 M HA -0.095 4.385 4.480 0.000 0.000 0.262 383 M C 2.029 178.346 176.300 0.028 0.000 1.067 383 M CA 2.363 57.681 55.300 0.030 0.000 1.124 383 M CB -0.404 32.209 32.600 0.021 0.000 1.353 383 M HN 0.421 nan 8.290 nan 0.000 0.410 384 K N -0.523 119.889 120.400 0.020 0.000 2.113 384 K HA -0.254 4.066 4.320 0.000 0.000 0.208 384 K C 1.998 178.611 176.600 0.022 0.000 1.047 384 K CA 1.965 58.262 56.287 0.016 0.000 0.928 384 K CB -0.197 32.310 32.500 0.011 0.000 0.716 384 K HN 0.570 nan 8.250 nan 0.000 0.446 385 Q N 0.069 119.888 119.800 0.032 0.000 2.014 385 Q HA -0.187 4.153 4.340 0.000 0.000 0.207 385 Q C 2.246 178.275 176.000 0.048 0.000 0.993 385 Q CA 2.389 58.218 55.803 0.043 0.000 0.850 385 Q CB -0.259 28.514 28.738 0.059 0.000 0.916 385 Q HN 0.419 nan 8.270 nan 0.000 0.417 386 V N -2.508 117.444 119.914 0.063 0.000 2.379 386 V HA 0.030 4.150 4.120 0.000 0.000 0.245 386 V C 1.639 177.747 176.094 0.023 0.000 1.044 386 V CA 1.714 64.051 62.300 0.061 0.000 1.036 386 V CB -0.641 31.243 31.823 0.102 0.000 0.664 386 V HN 0.255 nan 8.190 nan 0.000 0.453 387 A N 0.317 123.150 122.820 0.022 0.000 2.460 387 A HA 0.578 4.899 4.320 0.000 0.000 0.258 387 A C 1.942 179.529 177.584 0.006 0.000 1.300 387 A CA 0.523 52.566 52.037 0.010 0.000 0.913 387 A CB -0.715 18.293 19.000 0.014 0.000 1.031 387 A HN 0.656 nan 8.150 nan 0.000 0.512 388 G N 0.552 109.355 108.800 0.006 0.000 2.469 388 G HA2 -0.236 3.725 3.960 0.000 0.000 0.219 388 G HA3 -0.236 3.725 3.960 0.000 0.000 0.219 388 G C 1.453 176.353 174.900 -0.000 0.000 1.150 388 G CA 1.996 47.097 45.100 0.003 0.000 0.763 388 G HN 0.774 nan 8.290 nan 0.000 0.561 389 T N -3.263 111.288 114.554 -0.006 0.000 3.040 389 T HA 0.290 4.640 4.350 0.000 0.000 0.266 389 T C 2.067 176.764 174.700 -0.006 0.000 1.005 389 T CA 0.520 62.616 62.100 -0.007 0.000 0.906 389 T CB 0.087 68.948 68.868 -0.012 0.000 1.082 389 T HN 0.130 nan 8.240 nan 0.000 0.531 390 M N 1.303 120.898 119.600 -0.009 0.000 2.108 390 M HA -0.158 4.322 4.480 0.000 0.000 0.257 390 M C 2.311 178.615 176.300 0.007 0.000 1.071 390 M CA 1.835 57.129 55.300 -0.009 0.000 1.093 390 M CB -0.229 32.364 32.600 -0.011 0.000 1.345 390 M HN 0.269 nan 8.290 nan 0.000 0.403 391 K N 0.300 120.708 120.400 0.013 0.000 1.991 391 K HA -0.186 4.134 4.320 0.000 0.000 0.212 391 K C 1.701 178.320 176.600 0.031 0.000 1.049 391 K CA 1.793 58.094 56.287 0.024 0.000 0.932 391 K CB -0.329 32.185 32.500 0.023 0.000 0.717 391 K HN 0.409 nan 8.250 nan 0.000 0.441 392 L N 0.521 121.757 121.223 0.022 0.000 2.362 392 L HA -0.128 4.212 4.340 0.000 0.000 0.219 392 L C 2.422 179.311 176.870 0.032 0.000 1.134 392 L CA 0.880 55.734 54.840 0.024 0.000 0.807 392 L CB -0.325 41.742 42.059 0.013 0.000 0.927 392 L HN 0.396 nan 8.230 nan 0.000 0.447 393 E N 0.818 121.035 120.200 0.029 0.000 2.046 393 E HA -0.179 4.171 4.350 0.000 0.000 0.190 393 E C 2.361 179.011 176.600 0.083 0.000 0.982 393 E CA 0.835 57.255 56.400 0.034 0.000 0.800 393 E CB 0.037 29.738 29.700 0.002 0.000 0.756 393 E HN 0.417 nan 8.360 nan 0.000 0.449 394 L N 0.442 121.718 121.223 0.089 0.000 2.083 394 L HA -0.153 4.187 4.340 0.000 0.000 0.209 394 L C 2.572 179.554 176.870 0.187 0.000 1.083 394 L CA 0.956 55.902 54.840 0.176 0.000 0.752 394 L CB -0.400 41.735 42.059 0.126 0.000 0.899 394 L HN 0.233 nan 8.230 nan 0.000 0.433 395 A N -0.674 122.207 122.820 0.102 0.000 1.851 395 A HA -0.246 4.074 4.320 0.000 0.000 0.216 395 A C 2.192 179.809 177.584 0.056 0.000 1.195 395 A CA 1.411 53.487 52.037 0.066 0.000 0.622 395 A CB -0.536 18.489 19.000 0.043 0.000 0.831 395 A HN 0.371 nan 8.150 nan 0.000 0.444 396 Q N -1.726 118.110 119.800 0.061 0.000 2.297 396 Q HA -0.194 4.146 4.340 0.000 0.000 0.208 396 Q C 1.776 177.828 176.000 0.087 0.000 0.981 396 Q CA 1.698 57.530 55.803 0.049 0.000 0.876 396 Q CB -0.423 28.338 28.738 0.039 0.000 0.921 396 Q HN 0.922 nan 8.270 nan 0.000 0.446 397 Y N 0.975 121.277 120.300 0.004 0.000 2.206 397 Y HA -0.099 4.451 4.550 0.000 0.000 0.292 397 Y C 2.158 178.071 175.900 0.021 0.000 1.123 397 Y CA 1.347 59.452 58.100 0.008 0.000 1.142 397 Y CB -0.220 38.242 38.460 0.003 0.000 1.006 397 Y HN -0.100 nan 8.280 nan 0.000 0.518 398 R N 0.559 120.857 120.500 -0.335 0.000 2.105 398 R HA -0.180 4.160 4.340 0.000 0.000 0.239 398 R C 2.363 178.521 176.300 -0.236 0.000 1.135 398 R CA 1.549 57.401 56.100 -0.414 0.000 0.967 398 R CB -0.375 29.831 30.300 -0.156 0.000 0.861 398 R HN 0.405 nan 8.270 nan 0.000 0.442 399 E N 0.568 120.700 120.200 -0.114 0.000 2.000 399 E HA -0.166 4.184 4.350 0.000 0.000 0.199 399 E C 2.012 178.596 176.600 -0.026 0.000 1.011 399 E CA 2.089 58.458 56.400 -0.051 0.000 0.836 399 E CB -0.242 29.435 29.700 -0.039 0.000 0.778 399 E HN 0.165 nan 8.360 nan 0.000 0.462 400 V N 0.273 120.180 119.914 -0.012 0.000 2.453 400 V HA -0.239 3.882 4.120 0.000 0.000 0.252 400 V C 2.553 178.657 176.094 0.017 0.000 1.068 400 V CA 2.246 64.585 62.300 0.064 0.000 1.070 400 V CB -1.598 30.276 31.823 0.084 0.000 0.664 400 V HN 0.345 nan 8.190 nan 0.000 0.461 401 A N 0.585 123.327 122.820 -0.129 0.000 1.978 401 A HA 0.029 4.349 4.320 0.000 0.000 0.220 401 A C 2.449 179.997 177.584 -0.061 0.000 1.170 401 A CA 2.465 54.405 52.037 -0.162 0.000 0.636 401 A CB -0.844 17.878 19.000 -0.463 0.000 0.810 401 A HN 0.890 nan 8.150 nan 0.000 0.448 402 A N -1.336 121.470 122.820 -0.022 0.000 1.855 402 A HA 0.079 4.399 4.320 0.000 0.000 0.213 402 A C 1.888 179.555 177.584 0.138 0.000 1.195 402 A CA 1.239 53.316 52.037 0.067 0.000 0.610 402 A CB -0.794 18.251 19.000 0.074 0.000 0.837 402 A HN 0.648 nan 8.150 nan 0.000 0.444 403 F N 0.822 120.741 119.950 -0.051 0.000 2.481 403 F HA 0.002 4.529 4.527 0.000 0.000 0.297 403 F C 1.531 177.055 175.800 -0.460 0.000 1.095 403 F CA 0.763 58.676 58.000 -0.144 0.000 1.465 403 F CB -0.037 38.890 39.000 -0.122 0.000 1.098 403 F HN 0.193 nan 8.300 nan 0.000 0.585 404 A N -0.440 122.143 122.820 -0.395 0.000 2.610 404 A HA 0.257 4.577 4.320 0.000 0.000 0.290 404 A C 1.079 178.512 177.584 -0.252 0.000 1.001 404 A CA -0.383 51.315 52.037 -0.564 0.000 1.004 404 A CB -0.437 18.386 19.000 -0.295 0.000 1.220 404 A HN 0.395 nan 8.150 nan 0.000 0.507 405 Q N 0.270 120.079 119.800 0.014 0.000 2.452 405 Q HA 0.124 4.464 4.340 0.000 0.000 0.214 405 Q C -0.948 175.286 176.000 0.391 0.000 0.966 405 Q CA 0.391 56.334 55.803 0.233 0.000 0.964 405 Q CB -0.594 28.294 28.738 0.250 0.000 0.992 405 Q HN 0.777 nan 8.270 nan 0.000 0.517 406 F N -4.203 115.692 119.950 -0.092 0.000 3.395 406 F HA 0.365 4.892 4.527 0.000 0.000 0.382 406 F C 0.283 176.010 175.800 -0.123 0.000 1.264 406 F CA -2.184 55.757 58.000 -0.100 0.000 1.277 406 F CB -0.263 38.668 39.000 -0.116 0.000 1.780 406 F HN -0.127 nan 8.300 nan 0.000 0.691 407 G N 1.741 110.506 108.800 -0.059 0.000 2.615 407 G HA2 0.104 4.064 3.960 0.000 0.000 0.273 407 G HA3 0.104 4.064 3.960 0.000 0.000 0.273 407 G C 0.105 174.919 174.900 -0.142 0.000 0.657 407 G CA -0.018 45.014 45.100 -0.114 0.000 2.071 407 G HN 0.646 nan 8.290 nan 0.000 0.562 408 S N 2.135 117.666 115.700 -0.282 0.000 2.711 408 S HA 0.085 4.555 4.470 0.000 0.000 0.335 408 S C 0.387 174.902 174.600 -0.143 0.000 1.175 408 S CA -0.038 58.013 58.200 -0.249 0.000 1.372 408 S CB 0.101 62.994 63.200 -0.512 0.000 1.337 408 S HN 0.675 nan 8.310 nan 0.000 0.572 409 D N 0.921 121.278 120.400 -0.071 0.000 2.702 409 D HA -0.192 4.449 4.640 0.000 0.000 0.233 409 D C -0.349 175.933 176.300 -0.029 0.000 1.164 409 D CA 0.645 54.623 54.000 -0.035 0.000 0.638 409 D CB -1.545 39.245 40.800 -0.017 0.000 1.041 409 D HN 0.508 nan 8.370 nan 0.000 0.422 410 L N 0.838 122.037 121.223 -0.040 0.000 2.360 410 L HA 0.173 4.513 4.340 0.000 0.000 0.276 410 L C 1.603 178.468 176.870 -0.007 0.000 1.121 410 L CA -0.577 54.249 54.840 -0.023 0.000 0.845 410 L CB 0.399 42.436 42.059 -0.037 0.000 1.143 410 L HN 0.057 nan 8.230 nan 0.000 0.452 411 D N 2.983 123.386 120.400 0.004 0.000 2.132 411 D HA 0.180 4.820 4.640 0.000 0.000 0.265 411 D C 0.997 177.298 176.300 0.002 0.000 1.194 411 D CA 0.265 54.267 54.000 0.004 0.000 0.988 411 D CB 0.494 41.299 40.800 0.008 0.000 1.167 411 D HN 0.457 nan 8.370 nan 0.000 0.517 412 A N -1.066 121.755 122.820 0.000 0.000 1.938 412 A HA 0.444 4.764 4.320 0.000 0.000 0.207 412 A C 2.189 179.772 177.584 -0.002 0.000 1.292 412 A CA 0.889 52.924 52.037 -0.003 0.000 0.700 412 A CB -1.282 17.714 19.000 -0.007 0.000 0.947 412 A HN 0.604 nan 8.150 nan 0.000 0.476 413 A N 0.094 122.913 122.820 -0.002 0.000 2.054 413 A HA -0.217 4.103 4.320 0.000 0.000 0.223 413 A C 2.328 179.916 177.584 0.006 0.000 1.169 413 A CA 2.857 54.892 52.037 -0.002 0.000 0.655 413 A CB -1.225 17.774 19.000 -0.002 0.000 0.812 413 A HN 0.874 nan 8.150 nan 0.000 0.462 414 T N -3.882 110.682 114.554 0.015 0.000 3.051 414 T HA 0.024 4.374 4.350 0.000 0.000 0.255 414 T C 1.840 176.560 174.700 0.033 0.000 1.085 414 T CA 1.150 63.269 62.100 0.032 0.000 1.109 414 T CB -0.101 68.794 68.868 0.044 0.000 0.921 414 T HN 0.500 nan 8.240 nan 0.000 0.488 415 Q N -0.217 119.592 119.800 0.016 0.000 2.187 415 Q HA 0.009 4.349 4.340 0.000 0.000 0.199 415 Q C 2.578 178.579 176.000 0.002 0.000 0.957 415 Q CA 0.841 56.650 55.803 0.011 0.000 0.857 415 Q CB -0.011 28.727 28.738 0.000 0.000 0.929 415 Q HN 0.382 nan 8.270 nan 0.000 0.453 416 Q N 0.044 119.840 119.800 -0.007 0.000 2.123 416 Q HA -0.121 4.219 4.340 0.000 0.000 0.199 416 Q C 1.994 177.977 176.000 -0.028 0.000 0.966 416 Q CA 0.751 56.539 55.803 -0.026 0.000 0.845 416 Q CB -0.106 28.612 28.738 -0.032 0.000 0.907 416 Q HN 0.347 nan 8.270 nan 0.000 0.439 417 L N 0.510 121.734 121.223 0.002 0.000 2.046 417 L HA -0.136 4.204 4.340 0.000 0.000 0.208 417 L C 2.082 178.985 176.870 0.055 0.000 1.077 417 L CA 1.567 56.423 54.840 0.026 0.000 0.747 417 L CB -0.658 41.438 42.059 0.062 0.000 0.896 417 L HN 0.182 nan 8.230 nan 0.000 0.432 418 L N -1.637 119.643 121.223 0.097 0.000 2.240 418 L HA -0.076 4.264 4.340 0.000 0.000 0.211 418 L C 2.359 179.226 176.870 -0.005 0.000 1.106 418 L CA 0.842 55.783 54.840 0.169 0.000 0.793 418 L CB -0.547 41.621 42.059 0.183 0.000 0.927 418 L HN 0.136 nan 8.230 nan 0.000 0.446 419 S N -0.661 115.015 115.700 -0.040 0.000 2.383 419 S HA -0.073 4.397 4.470 0.000 0.000 0.227 419 S C 2.129 176.642 174.600 -0.144 0.000 1.026 419 S CA 0.803 58.958 58.200 -0.075 0.000 0.981 419 S CB -0.100 63.066 63.200 -0.056 0.000 0.818 419 S HN 0.282 nan 8.310 nan 0.000 0.472 420 R N 1.054 121.448 120.500 -0.176 0.000 2.057 420 R HA 0.047 4.387 4.340 0.000 0.000 0.229 420 R C 2.620 178.706 176.300 -0.358 0.000 1.136 420 R CA 1.333 57.302 56.100 -0.218 0.000 0.952 420 R CB -1.465 28.724 30.300 -0.186 0.000 0.848 420 R HN 0.473 nan 8.270 nan 0.000 0.430 421 G N 0.758 109.189 108.800 -0.615 0.000 2.599 421 G HA2 -0.283 3.677 3.960 0.000 0.000 0.219 421 G HA3 -0.283 3.677 3.960 0.000 0.000 0.219 421 G C 1.564 175.867 174.900 -0.995 0.000 1.193 421 G CA 1.603 45.845 45.100 -1.430 0.000 0.778 421 G HN 0.224 nan 8.290 nan 0.000 0.589 422 V N 1.281 120.836 119.914 -0.599 0.000 2.287 422 V HA -0.192 3.928 4.120 0.000 0.000 0.248 422 V C 3.005 179.014 176.094 -0.141 0.000 1.053 422 V CA 2.079 64.264 62.300 -0.191 0.000 1.027 422 V CB -0.521 31.277 31.823 -0.041 0.000 0.646 422 V HN 0.295 nan 8.190 nan 0.000 0.447 423 R N 0.016 120.422 120.500 -0.157 0.000 2.091 423 R HA -0.083 4.258 4.340 0.000 0.000 0.238 423 R C 2.264 178.504 176.300 -0.099 0.000 1.136 423 R CA 1.377 57.411 56.100 -0.110 0.000 0.959 423 R CB -0.946 29.282 30.300 -0.120 0.000 0.856 423 R HN 0.435 nan 8.270 nan 0.000 0.437 424 L N 0.339 121.476 121.223 -0.143 0.000 2.093 424 L HA -0.116 4.224 4.340 0.000 0.000 0.208 424 L C 2.331 179.161 176.870 -0.066 0.000 1.085 424 L CA 1.272 56.048 54.840 -0.107 0.000 0.755 424 L CB -0.540 41.438 42.059 -0.134 0.000 0.904 424 L HN 0.182 nan 8.230 nan 0.000 0.435 425 T N -0.935 113.575 114.554 -0.074 0.000 2.833 425 T HA -0.144 4.206 4.350 0.000 0.000 0.269 425 T C 1.747 176.449 174.700 0.003 0.000 1.054 425 T CA 1.007 63.103 62.100 -0.007 0.000 1.135 425 T CB -0.052 68.844 68.868 0.046 0.000 0.869 425 T HN 0.278 nan 8.240 nan 0.000 0.466 426 E N 0.892 121.088 120.200 -0.006 0.000 2.107 426 E HA 0.052 4.402 4.350 0.000 0.000 0.191 426 E C 2.230 178.838 176.600 0.013 0.000 0.982 426 E CA 0.586 56.992 56.400 0.008 0.000 0.809 426 E CB -0.281 29.428 29.700 0.014 0.000 0.756 426 E HN 0.459 nan 8.360 nan 0.000 0.459 427 L N 0.392 121.620 121.223 0.008 0.000 2.156 427 L HA -0.088 4.252 4.340 0.000 0.000 0.208 427 L C 2.278 179.156 176.870 0.014 0.000 1.095 427 L CA 0.557 55.408 54.840 0.020 0.000 0.770 427 L CB -0.203 41.866 42.059 0.016 0.000 0.914 427 L HN 0.065 nan 8.230 nan 0.000 0.439 428 L N -0.766 120.460 121.223 0.005 0.000 2.552 428 L HA -0.050 4.290 4.340 0.000 0.000 0.227 428 L C 1.061 177.929 176.870 -0.005 0.000 1.146 428 L CA 0.310 55.152 54.840 0.004 0.000 0.858 428 L CB -0.492 41.571 42.059 0.007 0.000 0.969 428 L HN 0.140 nan 8.230 nan 0.000 0.451 429 K N 0.795 121.191 120.400 -0.007 0.000 2.230 429 K HA 0.285 4.605 4.320 0.000 0.000 0.253 429 K C -0.141 176.443 176.600 -0.026 0.000 1.008 429 K CA 0.210 56.483 56.287 -0.023 0.000 0.910 429 K CB 0.704 33.191 32.500 -0.022 0.000 0.994 429 K HN 0.001 nan 8.250 nan 0.000 0.495 430 Q N -0.841 118.931 119.800 -0.047 0.000 2.617 430 Q HA 0.248 4.588 4.340 0.000 0.000 0.270 430 Q C -0.978 174.980 176.000 -0.069 0.000 0.967 430 Q CA -0.515 55.261 55.803 -0.045 0.000 0.887 430 Q CB 1.646 30.360 28.738 -0.040 0.000 1.516 430 Q HN 0.821 nan 8.270 nan 0.000 0.395 431 G N 0.866 109.631 108.800 -0.060 0.000 2.510 431 G HA2 0.373 4.333 3.960 0.000 0.000 0.280 431 G HA3 0.373 4.333 3.960 0.000 0.000 0.280 431 G C -0.666 174.163 174.900 -0.118 0.000 1.386 431 G CA -0.117 44.940 45.100 -0.073 0.000 1.047 431 G HN 0.488 nan 8.290 nan 0.000 0.527 432 Q N -1.889 117.816 119.800 -0.159 0.000 2.204 432 Q HA 0.354 4.694 4.340 0.000 0.000 0.254 432 Q C -0.597 175.228 176.000 -0.292 0.000 0.981 432 Q CA -0.690 54.872 55.803 -0.402 0.000 0.897 432 Q CB 1.302 29.626 28.738 -0.690 0.000 1.273 432 Q HN 0.506 nan 8.270 nan 0.000 0.464 433 Y N -1.485 118.810 120.300 -0.009 0.000 4.705 433 Y HA -0.264 4.286 4.550 0.000 0.000 0.226 433 Y C 0.105 175.996 175.900 -0.014 0.000 1.039 433 Y CA 0.809 58.901 58.100 -0.012 0.000 1.968 433 Y CB -2.093 36.358 38.460 -0.015 0.000 1.614 433 Y HN 0.288 nan 8.280 nan 0.000 0.619 434 S N -0.115 115.618 115.700 0.054 0.000 2.139 434 S HA 0.363 4.833 4.470 0.000 0.000 0.183 434 S C -2.388 172.214 174.600 0.004 0.000 1.473 434 S CA -0.997 57.223 58.200 0.034 0.000 1.263 434 S CB 0.675 63.889 63.200 0.024 0.000 1.170 434 S HN -0.019 nan 8.310 nan 0.000 0.430 435 P HA 0.073 nan 4.420 nan 0.000 0.261 435 P C -0.253 177.039 177.300 -0.012 0.000 1.183 435 P CA 0.439 63.538 63.100 -0.003 0.000 0.761 435 P CB 0.250 31.955 31.700 0.007 0.000 0.785 436 M N 2.039 121.633 119.600 -0.009 0.000 2.359 436 M HA 0.505 4.985 4.480 0.000 0.000 0.322 436 M C 0.616 176.909 176.300 -0.012 0.000 1.166 436 M CA -0.764 54.527 55.300 -0.015 0.000 1.067 436 M CB 1.179 33.773 32.600 -0.009 0.000 1.523 436 M HN 0.271 nan 8.290 nan 0.000 0.467 437 A N 1.265 124.069 122.820 -0.027 0.000 2.340 437 A HA 0.287 4.607 4.320 0.000 0.000 0.268 437 A C 0.925 178.512 177.584 0.005 0.000 1.100 437 A CA -0.536 51.489 52.037 -0.021 0.000 0.803 437 A CB 0.142 19.113 19.000 -0.049 0.000 1.043 437 A HN 0.950 nan 8.150 nan 0.000 0.488 438 I N 1.055 121.645 120.570 0.034 0.000 2.143 438 I HA -0.304 3.866 4.170 0.000 0.000 0.245 438 I C 2.592 178.719 176.117 0.017 0.000 1.068 438 I CA 2.620 63.941 61.300 0.035 0.000 1.326 438 I CB -0.181 37.849 38.000 0.050 0.000 1.028 438 I HN 0.866 nan 8.210 nan 0.000 0.412 439 E N 0.178 120.379 120.200 0.002 0.000 2.153 439 E HA -0.283 4.067 4.350 0.000 0.000 0.194 439 E C 1.907 178.496 176.600 -0.017 0.000 0.988 439 E CA 1.641 58.033 56.400 -0.013 0.000 0.811 439 E CB -0.696 28.985 29.700 -0.032 0.000 0.746 439 E HN 0.648 nan 8.360 nan 0.000 0.466 440 E N 0.965 121.152 120.200 -0.022 0.000 2.077 440 E HA -0.163 4.187 4.350 0.000 0.000 0.193 440 E C 2.367 178.978 176.600 0.018 0.000 0.989 440 E CA 1.630 58.015 56.400 -0.025 0.000 0.800 440 E CB 0.003 29.679 29.700 -0.040 0.000 0.746 440 E HN 0.402 nan 8.360 nan 0.000 0.452 441 Q N 0.104 119.917 119.800 0.023 0.000 2.002 441 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 441 Q C 2.412 178.452 176.000 0.067 0.000 0.988 441 Q CA 1.687 57.514 55.803 0.041 0.000 0.843 441 Q CB -0.333 28.424 28.738 0.032 0.000 0.908 441 Q HN 0.184 nan 8.270 nan 0.000 0.420 442 V N 1.630 121.579 119.914 0.059 0.000 2.317 442 V HA -0.349 3.771 4.120 0.000 0.000 0.251 442 V C 2.399 178.576 176.094 0.137 0.000 1.065 442 V CA 1.930 64.281 62.300 0.085 0.000 1.049 442 V CB -1.234 30.621 31.823 0.052 0.000 0.651 442 V HN 0.444 nan 8.190 nan 0.000 0.450 443 A N 0.489 123.376 122.820 0.113 0.000 1.851 443 A HA -0.203 4.117 4.320 0.000 0.000 0.216 443 A C 2.489 180.279 177.584 0.343 0.000 1.195 443 A CA 2.680 54.842 52.037 0.208 0.000 0.622 443 A CB -0.987 18.107 19.000 0.156 0.000 0.831 443 A HN 0.713 nan 8.150 nan 0.000 0.444 444 V N -0.600 119.471 119.914 0.261 0.000 2.343 444 V HA -0.201 3.919 4.120 0.000 0.000 0.247 444 V C 2.139 178.312 176.094 0.130 0.000 1.051 444 V CA 2.083 64.497 62.300 0.189 0.000 1.036 444 V CB -0.849 31.058 31.823 0.140 0.000 0.654 444 V HN 0.444 nan 8.190 nan 0.000 0.451 445 I N -0.109 120.535 120.570 0.122 0.000 2.179 445 I HA -0.184 3.986 4.170 0.000 0.000 0.242 445 I C 2.550 178.717 176.117 0.084 0.000 1.088 445 I CA 2.322 63.669 61.300 0.078 0.000 1.357 445 I CB -1.937 36.102 38.000 0.066 0.000 1.051 445 I HN 0.518 nan 8.210 nan 0.000 0.409 446 Y N 2.475 122.793 120.300 0.030 0.000 2.030 446 Y HA -0.389 4.161 4.550 0.000 0.000 0.272 446 Y C 2.735 178.652 175.900 0.028 0.000 1.185 446 Y CA 2.599 60.723 58.100 0.040 0.000 1.120 446 Y CB -0.613 37.900 38.460 0.087 0.000 0.955 446 Y HN 0.150 nan 8.280 nan 0.000 0.495 447 A N -0.002 122.920 122.820 0.169 0.000 1.927 447 A HA -0.240 4.080 4.320 0.000 0.000 0.220 447 A C 2.450 179.977 177.584 -0.095 0.000 1.185 447 A CA 2.299 54.367 52.037 0.051 0.000 0.639 447 A CB -1.786 17.183 19.000 -0.053 0.000 0.820 447 A HN 0.699 nan 8.150 nan 0.000 0.451 448 G N -1.167 107.575 108.800 -0.097 0.000 2.425 448 G HA2 0.002 3.962 3.960 0.000 0.000 0.213 448 G HA3 0.002 3.962 3.960 0.000 0.000 0.213 448 G C 1.467 176.242 174.900 -0.210 0.000 1.201 448 G CA 0.927 45.944 45.100 -0.138 0.000 0.799 448 G HN 0.313 nan 8.290 nan 0.000 0.534 449 V N 1.130 120.923 119.914 -0.201 0.000 2.546 449 V HA -0.119 4.001 4.120 0.000 0.000 0.254 449 V C 2.707 178.603 176.094 -0.329 0.000 1.076 449 V CA 1.471 63.641 62.300 -0.218 0.000 1.087 449 V CB -0.377 31.351 31.823 -0.159 0.000 0.674 449 V HN 0.195 nan 8.190 nan 0.000 0.470 450 R N -0.247 119.948 120.500 -0.508 0.000 2.310 450 R HA 0.194 4.534 4.340 0.000 0.000 0.202 450 R C 1.829 177.627 176.300 -0.836 0.000 0.933 450 R CA 0.700 56.346 56.100 -0.757 0.000 1.054 450 R CB -0.537 29.087 30.300 -1.128 0.000 0.985 450 R HN 0.592 nan 8.270 nan 0.000 0.489 451 G N 0.424 108.896 108.800 -0.548 0.000 2.179 451 G HA2 -0.360 3.600 3.960 0.000 0.000 0.260 451 G HA3 -0.360 3.600 3.960 0.000 0.000 0.260 451 G C 0.546 175.223 174.900 -0.373 0.000 0.977 451 G CA 0.470 45.324 45.100 -0.410 0.000 0.641 451 G HN 0.355 nan 8.290 nan 0.000 0.533 452 Y N 0.270 120.465 120.300 -0.175 0.000 2.465 452 Y HA 0.178 4.728 4.550 0.000 0.000 0.289 452 Y C 2.619 178.399 175.900 -0.201 0.000 1.150 452 Y CA 1.319 59.323 58.100 -0.159 0.000 1.293 452 Y CB -0.278 38.101 38.460 -0.135 0.000 0.977 452 Y HN 0.411 nan 8.280 nan 0.000 0.556 453 L N -0.769 120.375 121.223 -0.132 0.000 2.640 453 L HA 0.093 4.434 4.340 0.000 0.000 0.230 453 L C 0.890 177.672 176.870 -0.147 0.000 1.123 453 L CA 0.012 54.735 54.840 -0.194 0.000 0.900 453 L CB -0.068 41.848 42.059 -0.238 0.000 1.146 453 L HN -0.025 nan 8.230 nan 0.000 0.484 454 D N 1.262 121.585 120.400 -0.128 0.000 2.357 454 D HA -0.164 4.477 4.640 0.000 0.000 0.216 454 D C 1.664 177.917 176.300 -0.078 0.000 0.973 454 D CA 1.263 55.200 54.000 -0.106 0.000 0.912 454 D CB 0.123 40.858 40.800 -0.108 0.000 0.900 454 D HN 0.298 nan 8.370 nan 0.000 0.501 455 K N -0.667 119.689 120.400 -0.073 0.000 2.374 455 K HA 0.130 4.450 4.320 0.000 0.000 0.202 455 K C 0.391 176.961 176.600 -0.051 0.000 1.040 455 K CA -0.475 55.781 56.287 -0.052 0.000 1.085 455 K CB 0.885 33.363 32.500 -0.036 0.000 0.873 455 K HN 0.006 nan 8.250 nan 0.000 0.539 456 L N 1.741 122.919 121.223 -0.075 0.000 2.453 456 L HA 0.129 4.469 4.340 0.000 0.000 0.261 456 L C -0.022 176.828 176.870 -0.032 0.000 1.179 456 L CA 0.153 54.956 54.840 -0.061 0.000 0.813 456 L CB 0.769 42.751 42.059 -0.128 0.000 1.110 456 L HN -0.015 nan 8.230 nan 0.000 0.466 457 E N 3.905 124.104 120.200 -0.001 0.000 2.259 457 E HA 0.186 4.536 4.350 0.000 0.000 0.281 457 E C -1.868 174.743 176.600 0.018 0.000 1.027 457 E CA -1.781 54.623 56.400 0.006 0.000 0.838 457 E CB 1.396 31.105 29.700 0.014 0.000 1.066 457 E HN 0.491 nan 8.360 nan 0.000 0.401 458 P HA -0.282 nan 4.420 nan 0.000 0.217 458 P C 1.195 178.518 177.300 0.038 0.000 1.158 458 P CA 1.932 65.041 63.100 0.015 0.000 0.887 458 P CB 0.073 31.780 31.700 0.013 0.000 0.792 459 S N -1.227 114.498 115.700 0.041 0.000 2.419 459 S HA -0.162 4.308 4.470 0.000 0.000 0.235 459 S C 1.752 176.402 174.600 0.084 0.000 1.019 459 S CA 1.072 59.304 58.200 0.053 0.000 0.982 459 S CB -0.799 62.427 63.200 0.043 0.000 0.789 459 S HN 0.119 nan 8.310 nan 0.000 0.490 460 K N 1.552 122.013 120.400 0.101 0.000 2.076 460 K HA 0.212 4.532 4.320 0.000 0.000 0.204 460 K C 2.071 178.810 176.600 0.232 0.000 1.051 460 K CA 0.755 57.152 56.287 0.183 0.000 0.949 460 K CB -0.785 31.832 32.500 0.195 0.000 0.726 460 K HN 0.433 nan 8.250 nan 0.000 0.443 461 I N 1.178 121.840 120.570 0.154 0.000 2.141 461 I HA -0.428 3.742 4.170 0.000 0.000 0.243 461 I C 2.184 178.420 176.117 0.199 0.000 1.035 461 I CA 1.920 63.314 61.300 0.156 0.000 1.302 461 I CB -1.006 37.037 38.000 0.072 0.000 1.006 461 I HN 0.188 nan 8.210 nan 0.000 0.413 462 T N 0.101 114.740 114.554 0.141 0.000 2.708 462 T HA -0.222 4.128 4.350 0.000 0.000 0.266 462 T C 1.978 176.758 174.700 0.134 0.000 1.037 462 T CA 1.546 63.714 62.100 0.113 0.000 1.146 462 T CB -0.166 68.748 68.868 0.076 0.000 0.865 462 T HN 0.295 nan 8.240 nan 0.000 0.435 463 K N -0.210 120.303 120.400 0.190 0.000 2.057 463 K HA -0.073 4.247 4.320 0.000 0.000 0.207 463 K C 2.070 178.805 176.600 0.226 0.000 1.049 463 K CA 1.135 57.562 56.287 0.233 0.000 0.931 463 K CB -0.281 32.408 32.500 0.315 0.000 0.714 463 K HN 0.340 nan 8.250 nan 0.000 0.440 464 F N 2.270 122.246 119.950 0.044 0.000 2.069 464 F HA -0.241 4.286 4.527 0.000 0.000 0.298 464 F C 2.235 177.966 175.800 -0.114 0.000 1.113 464 F CA 2.043 59.840 58.000 -0.339 0.000 1.214 464 F CB -0.464 38.315 39.000 -0.368 0.000 0.978 464 F HN 0.121 nan 8.300 nan 0.000 0.474 465 E N 0.174 120.301 120.200 -0.122 0.000 2.171 465 E HA -0.280 4.070 4.350 0.000 0.000 0.197 465 E C 1.829 178.337 176.600 -0.153 0.000 0.997 465 E CA 1.598 57.893 56.400 -0.176 0.000 0.810 465 E CB -0.361 29.349 29.700 0.017 0.000 0.738 465 E HN 0.578 nan 8.360 nan 0.000 0.467 466 N N 0.136 118.791 118.700 -0.076 0.000 2.216 466 N HA -0.105 4.635 4.740 0.000 0.000 0.183 466 N C 1.782 177.257 175.510 -0.059 0.000 1.017 466 N CA 0.980 54.006 53.050 -0.041 0.000 0.861 466 N CB -0.136 38.362 38.487 0.018 0.000 0.986 466 N HN 0.196 nan 8.380 nan 0.000 0.428 467 A N 1.653 124.441 122.820 -0.053 0.000 1.835 467 A HA -0.154 4.166 4.320 0.000 0.000 0.215 467 A C 2.066 179.568 177.584 -0.137 0.000 1.199 467 A CA 1.029 53.114 52.037 0.080 0.000 0.615 467 A CB -1.195 17.942 19.000 0.229 0.000 0.838 467 A HN 0.238 nan 8.150 nan 0.000 0.444 468 F N 0.236 119.733 119.950 -0.755 0.000 2.027 468 F HA -0.246 4.281 4.527 0.000 0.000 0.297 468 F C 1.927 177.336 175.800 -0.652 0.000 1.129 468 F CA 2.126 59.411 58.000 -1.192 0.000 1.195 468 F CB -0.647 37.545 39.000 -1.347 0.000 0.960 468 F HN 0.165 nan 8.300 nan 0.000 0.485 469 L N 0.137 121.093 121.223 -0.444 0.000 2.129 469 L HA -0.241 4.099 4.340 0.000 0.000 0.212 469 L C 2.553 179.220 176.870 -0.338 0.000 1.087 469 L CA 1.930 56.538 54.840 -0.387 0.000 0.757 469 L CB -1.414 40.544 42.059 -0.168 0.000 0.896 469 L HN 0.218 nan 8.230 nan 0.000 0.434 470 S N -1.871 113.682 115.700 -0.245 0.000 2.348 470 S HA -0.241 4.229 4.470 0.000 0.000 0.221 470 S C 1.846 176.363 174.600 -0.137 0.000 1.033 470 S CA 1.266 59.388 58.200 -0.131 0.000 1.010 470 S CB -0.397 62.789 63.200 -0.022 0.000 0.891 470 S HN 0.657 nan 8.310 nan 0.000 0.442 471 H N 2.211 121.076 119.070 -0.341 0.000 2.254 471 H HA -0.121 4.435 4.556 0.000 0.000 0.294 471 H C 2.201 177.343 175.328 -0.309 0.000 1.071 471 H CA 2.527 58.388 56.048 -0.312 0.000 1.228 471 H CB -0.965 28.472 29.762 -0.541 0.000 1.358 471 H HN 0.185 nan 8.280 nan 0.000 0.495 472 V N -0.532 118.946 119.914 -0.726 0.000 2.324 472 V HA -0.251 3.869 4.120 0.000 0.000 0.250 472 V C 2.593 178.497 176.094 -0.316 0.000 1.060 472 V CA 2.292 64.219 62.300 -0.622 0.000 1.042 472 V CB -1.074 30.289 31.823 -0.766 0.000 0.650 472 V HN 0.493 nan 8.190 nan 0.000 0.450 473 I N 1.434 121.836 120.570 -0.280 0.000 2.226 473 I HA -0.210 3.960 4.170 0.000 0.000 0.245 473 I C 2.931 178.971 176.117 -0.129 0.000 1.100 473 I CA 2.103 63.297 61.300 -0.177 0.000 1.374 473 I CB -0.458 37.451 38.000 -0.151 0.000 1.057 473 I HN 0.605 nan 8.210 nan 0.000 0.413 474 S N 0.044 115.674 115.700 -0.116 0.000 2.325 474 S HA -0.147 4.323 4.470 0.000 0.000 0.214 474 S C 1.937 176.485 174.600 -0.087 0.000 1.031 474 S CA 0.818 58.973 58.200 -0.074 0.000 0.972 474 S CB -0.274 62.909 63.200 -0.029 0.000 0.908 474 S HN 0.369 nan 8.310 nan 0.000 0.453 475 Q N 0.178 119.922 119.800 -0.093 0.000 1.864 475 Q HA -0.040 4.300 4.340 0.000 0.000 0.219 475 Q C 1.338 177.172 176.000 -0.276 0.000 0.975 475 Q CA 1.452 57.158 55.803 -0.161 0.000 0.862 475 Q CB -0.511 28.145 28.738 -0.135 0.000 0.913 475 Q HN 0.746 nan 8.270 nan 0.000 0.431 476 H N 1.666 120.546 119.070 -0.318 0.000 2.996 476 H HA -0.044 4.512 4.556 0.000 0.000 0.285 476 H C 1.097 176.302 175.328 -0.206 0.000 1.092 476 H CA 0.384 56.275 56.048 -0.261 0.000 1.221 476 H CB -0.711 28.849 29.762 -0.336 0.000 1.277 476 H HN 0.352 nan 8.280 nan 0.000 0.668 477 Q N -0.536 119.201 119.800 -0.105 0.000 2.561 477 Q HA -0.036 4.304 4.340 0.000 0.000 0.217 477 Q C 1.937 177.891 176.000 -0.078 0.000 0.980 477 Q CA 0.801 56.549 55.803 -0.092 0.000 0.927 477 Q CB 0.099 28.783 28.738 -0.089 0.000 0.980 477 Q HN 0.565 nan 8.270 nan 0.000 0.525 478 A N 1.301 124.073 122.820 -0.080 0.000 1.970 478 A HA -0.009 4.311 4.320 0.000 0.000 0.216 478 A C 1.961 179.514 177.584 -0.051 0.000 1.170 478 A CA 0.456 52.454 52.037 -0.066 0.000 0.645 478 A CB -0.320 18.635 19.000 -0.075 0.000 0.816 478 A HN 0.418 nan 8.150 nan 0.000 0.447 479 L N -0.497 120.700 121.223 -0.043 0.000 2.131 479 L HA -0.019 4.321 4.340 0.000 0.000 0.206 479 L C 2.334 179.165 176.870 -0.064 0.000 1.087 479 L CA 0.742 55.554 54.840 -0.047 0.000 0.767 479 L CB -0.183 41.851 42.059 -0.041 0.000 0.917 479 L HN 0.391 nan 8.230 nan 0.000 0.441 480 L N -0.858 120.321 121.223 -0.074 0.000 2.027 480 L HA -0.118 4.222 4.340 0.000 0.000 0.206 480 L C 2.551 179.387 176.870 -0.058 0.000 1.074 480 L CA 1.408 56.201 54.840 -0.078 0.000 0.745 480 L CB -1.168 40.834 42.059 -0.097 0.000 0.898 480 L HN 0.316 nan 8.230 nan 0.000 0.433 481 G N -0.619 108.148 108.800 -0.054 0.000 2.470 481 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 481 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 481 G C 1.747 176.627 174.900 -0.034 0.000 1.121 481 G CA 0.369 45.443 45.100 -0.042 0.000 0.766 481 G HN 0.219 nan 8.290 nan 0.000 0.553 482 K N -0.195 120.183 120.400 -0.036 0.000 2.098 482 K HA 0.191 4.511 4.320 0.000 0.000 0.203 482 K C 2.426 179.010 176.600 -0.026 0.000 1.051 482 K CA 0.172 56.442 56.287 -0.029 0.000 0.957 482 K CB -0.116 32.367 32.500 -0.030 0.000 0.738 482 K HN 0.300 nan 8.250 nan 0.000 0.447 483 I N 0.854 121.403 120.570 -0.034 0.000 2.179 483 I HA -0.304 3.866 4.170 0.000 0.000 0.242 483 I C 2.721 178.827 176.117 -0.019 0.000 1.088 483 I CA 1.123 62.404 61.300 -0.031 0.000 1.357 483 I CB -0.214 37.758 38.000 -0.047 0.000 1.051 483 I HN 0.200 nan 8.210 nan 0.000 0.409 484 R N 0.246 120.734 120.500 -0.020 0.000 2.070 484 R HA -0.174 4.166 4.340 0.000 0.000 0.233 484 R C 2.295 178.594 176.300 -0.002 0.000 1.137 484 R CA 2.269 58.365 56.100 -0.008 0.000 0.945 484 R CB -0.360 29.932 30.300 -0.013 0.000 0.845 484 R HN 0.228 nan 8.270 nan 0.000 0.430 485 T N 0.955 115.504 114.554 -0.008 0.000 2.612 485 T HA -0.110 4.240 4.350 0.000 0.000 0.259 485 T C 1.180 175.877 174.700 -0.004 0.000 1.065 485 T CA 1.684 63.781 62.100 -0.005 0.000 1.167 485 T CB -0.471 68.392 68.868 -0.010 0.000 0.863 485 T HN 0.331 nan 8.240 nan 0.000 0.407 486 D N 0.365 120.761 120.400 -0.007 0.000 2.190 486 D HA -0.023 4.617 4.640 0.000 0.000 0.200 486 D C 1.727 178.026 176.300 -0.003 0.000 0.992 486 D CA 1.493 55.490 54.000 -0.005 0.000 0.854 486 D CB -0.665 40.131 40.800 -0.007 0.000 0.936 486 D HN 0.593 nan 8.370 nan 0.000 0.462 487 G N -0.241 108.558 108.800 -0.002 0.000 2.184 487 G HA2 -0.335 3.625 3.960 0.000 0.000 0.264 487 G HA3 -0.335 3.625 3.960 0.000 0.000 0.264 487 G C 0.526 175.428 174.900 0.002 0.000 0.975 487 G CA 0.741 45.841 45.100 0.001 0.000 0.642 487 G HN 0.496 nan 8.290 nan 0.000 0.536 488 K N -0.431 119.970 120.400 0.001 0.000 2.349 488 K HA 0.773 5.093 4.320 0.000 0.000 0.243 488 K C -0.687 175.914 176.600 0.001 0.000 1.058 488 K CA -1.172 55.118 56.287 0.005 0.000 0.871 488 K CB 1.177 33.681 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.866 123.441 120.570 0.009 0.000 2.388 489 I HA 0.094 4.264 4.170 0.000 0.000 0.281 489 I C 0.428 176.553 176.117 0.013 0.000 1.046 489 I CA -0.502 60.800 61.300 0.003 0.000 1.187 489 I CB 1.392 39.401 38.000 0.015 0.000 1.351 489 I HN 0.588 nan 8.210 nan 0.000 0.472 490 S N 3.555 119.257 115.700 0.002 0.000 2.617 490 S HA 0.141 4.611 4.470 0.000 0.000 0.255 490 S C 0.967 175.577 174.600 0.017 0.000 1.318 490 S CA -0.457 57.748 58.200 0.008 0.000 0.978 490 S CB 0.882 64.083 63.200 0.002 0.000 0.961 490 S HN 0.582 nan 8.310 nan 0.000 0.582 491 E N 0.378 120.590 120.200 0.020 0.000 2.107 491 E HA -0.065 4.285 4.350 0.000 0.000 0.191 491 E C 1.853 178.469 176.600 0.027 0.000 0.982 491 E CA 1.245 57.663 56.400 0.029 0.000 0.809 491 E CB -0.181 29.535 29.700 0.027 0.000 0.756 491 E HN 0.843 nan 8.360 nan 0.000 0.459 492 E N 0.077 120.286 120.200 0.015 0.000 2.170 492 E HA -0.026 4.324 4.350 0.000 0.000 0.191 492 E C 1.704 178.306 176.600 0.003 0.000 0.981 492 E CA 0.602 57.009 56.400 0.012 0.000 0.830 492 E CB 0.133 29.837 29.700 0.007 0.000 0.775 492 E HN 0.067 nan 8.360 nan 0.000 0.470 493 S N 0.719 116.413 115.700 -0.010 0.000 2.368 493 S HA -0.185 4.285 4.470 0.000 0.000 0.224 493 S C 1.536 176.101 174.600 -0.058 0.000 1.029 493 S CA 1.516 59.693 58.200 -0.038 0.000 0.988 493 S CB -0.285 62.886 63.200 -0.047 0.000 0.838 493 S HN 0.406 nan 8.310 nan 0.000 0.462 494 D N 0.914 121.302 120.400 -0.021 0.000 2.218 494 D HA -0.033 4.607 4.640 0.000 0.000 0.204 494 D C 1.752 178.091 176.300 0.065 0.000 0.976 494 D CA 1.130 55.141 54.000 0.018 0.000 0.853 494 D CB -0.128 40.738 40.800 0.110 0.000 0.939 494 D HN 0.361 nan 8.370 nan 0.000 0.481 495 A N -0.003 122.845 122.820 0.046 0.000 1.935 495 A HA 0.004 4.324 4.320 0.000 0.000 0.214 495 A C 2.118 179.720 177.584 0.030 0.000 1.178 495 A CA 0.846 52.915 52.037 0.053 0.000 0.640 495 A CB -0.276 18.751 19.000 0.044 0.000 0.825 495 A HN 0.096 nan 8.150 nan 0.000 0.447 496 K N -0.372 120.032 120.400 0.007 0.000 2.148 496 K HA 0.076 4.396 4.320 0.000 0.000 0.204 496 K C 1.786 178.374 176.600 -0.019 0.000 1.050 496 K CA 0.748 57.039 56.287 0.006 0.000 0.942 496 K CB -0.228 32.277 32.500 0.009 0.000 0.724 496 K HN 0.440 nan 8.250 nan 0.000 0.446 497 L N 0.887 122.067 121.223 -0.071 0.000 1.988 497 L HA -0.217 4.123 4.340 0.000 0.000 0.207 497 L C 2.517 179.398 176.870 0.018 0.000 1.071 497 L CA 1.392 56.162 54.840 -0.117 0.000 0.744 497 L CB -0.395 41.379 42.059 -0.475 0.000 0.893 497 L HN 0.171 nan 8.230 nan 0.000 0.433 498 K N 0.213 120.665 120.400 0.086 0.000 2.107 498 K HA -0.306 4.014 4.320 0.000 0.000 0.211 498 K C 1.966 178.501 176.600 -0.107 0.000 1.049 498 K CA 2.077 58.365 56.287 0.001 0.000 0.927 498 K CB -0.133 32.399 32.500 0.053 0.000 0.714 498 K HN 0.289 nan 8.250 nan 0.000 0.452 499 E N 0.295 120.484 120.200 -0.019 0.000 2.023 499 E HA -0.217 4.133 4.350 0.000 0.000 0.196 499 E C 2.093 178.716 176.600 0.039 0.000 1.003 499 E CA 1.894 58.297 56.400 0.005 0.000 0.809 499 E CB -0.151 29.570 29.700 0.036 0.000 0.755 499 E HN 0.377 nan 8.360 nan 0.000 0.449 500 I N 0.620 121.224 120.570 0.057 0.000 2.099 500 I HA -0.288 3.882 4.170 0.000 0.000 0.239 500 I C 2.703 178.964 176.117 0.240 0.000 1.066 500 I CA 1.338 62.709 61.300 0.118 0.000 1.324 500 I CB -0.685 37.300 38.000 -0.025 0.000 1.037 500 I HN 0.145 nan 8.210 nan 0.000 0.401 501 V N 0.726 120.769 119.914 0.214 0.000 2.233 501 V HA -0.326 3.794 4.120 0.000 0.000 0.247 501 V C 2.565 178.725 176.094 0.110 0.000 1.050 501 V CA 2.857 65.264 62.300 0.178 0.000 1.010 501 V CB -1.489 30.330 31.823 -0.008 0.000 0.637 501 V HN 0.661 nan 8.190 nan 0.000 0.444 502 T N -0.588 113.908 114.554 -0.098 0.000 2.665 502 T HA -0.270 4.080 4.350 0.000 0.000 0.268 502 T C 1.864 176.593 174.700 0.047 0.000 1.035 502 T CA 2.107 64.153 62.100 -0.090 0.000 1.151 502 T CB -0.972 67.778 68.868 -0.196 0.000 0.862 502 T HN 0.611 nan 8.240 nan 0.000 0.438 503 N N 0.762 119.517 118.700 0.090 0.000 2.080 503 N HA 0.004 4.744 4.740 0.000 0.000 0.189 503 N C 1.601 177.218 175.510 0.179 0.000 1.036 503 N CA 1.245 54.366 53.050 0.117 0.000 0.846 503 N CB -0.645 37.907 38.487 0.108 0.000 1.015 503 N HN 0.449 nan 8.380 nan 0.000 0.423 504 F N 2.606 122.616 119.950 0.101 0.000 2.095 504 F HA -0.140 4.387 4.527 0.000 0.000 0.298 504 F C 2.317 178.246 175.800 0.216 0.000 1.104 504 F CA 1.010 59.081 58.000 0.119 0.000 1.232 504 F CB -0.439 38.650 39.000 0.149 0.000 0.987 504 F HN -0.025 nan 8.300 nan 0.000 0.475 505 L N 0.375 121.864 121.223 0.442 0.000 2.021 505 L HA -0.272 4.068 4.340 0.000 0.000 0.215 505 L C 2.501 179.481 176.870 0.182 0.000 1.074 505 L CA 2.237 57.257 54.840 0.299 0.000 0.760 505 L CB -1.498 40.607 42.059 0.076 0.000 0.889 505 L HN 0.371 nan 8.230 nan 0.000 0.433 506 A N -0.200 122.683 122.820 0.105 0.000 1.851 506 A HA -0.169 4.151 4.320 0.000 0.000 0.216 506 A C 2.380 179.979 177.584 0.025 0.000 1.195 506 A CA 1.861 53.930 52.037 0.053 0.000 0.622 506 A CB -1.470 17.550 19.000 0.033 0.000 0.831 506 A HN 0.518 nan 8.150 nan 0.000 0.444 507 G N -1.304 107.489 108.800 -0.012 0.000 2.469 507 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 507 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 507 G C 1.491 176.346 174.900 -0.075 0.000 1.150 507 G CA 1.313 46.370 45.100 -0.071 0.000 0.763 507 G HN 0.510 nan 8.290 nan 0.000 0.561 508 F N 1.136 120.928 119.950 -0.263 0.000 2.171 508 F HA 0.043 4.570 4.527 0.000 0.000 0.300 508 F C 2.194 177.944 175.800 -0.084 0.000 1.090 508 F CA 1.544 59.420 58.000 -0.207 0.000 1.293 508 F CB 0.096 39.001 39.000 -0.159 0.000 1.013 508 F HN 0.203 nan 8.300 nan 0.000 0.486 509 E N 0.823 121.034 120.200 0.019 0.000 2.320 509 E HA 0.233 4.583 4.350 0.000 0.000 0.189 509 E C 0.611 177.154 176.600 -0.096 0.000 1.100 509 E CA -0.278 56.081 56.400 -0.067 0.000 1.009 509 E CB -0.212 29.501 29.700 0.020 0.000 1.145 509 E HN 0.402 nan 8.360 nan 0.000 0.454 510 A N 0.000 122.745 122.820 -0.125 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 510 A CB 0.000 18.944 19.000 -0.093 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486