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 2dkf_1_D DATA FIRST_RESID 2 DATA SEQUENCE RIVPFGAARE VTGSAHLLLA GGRRVLLDCG XFQGKEEARN HAPFGFDPKE DATA SEQUENCE VDAVLLTHAH LDHVGRLPKL FREGYRGPVY ATRATVLLXE IVLEDALKVX DATA SEQUENCE DEPFFGPEDV EEALGHLRPL EYGEWLRLGA LSLAFGQAGH LPGSAFVVAQ DATA SEQUENCE GEGRTLVYSG DLGNREKDVL PDPSLPPLAD LVLAEGTYGD RPHRPYRETV DATA SEQUENCE REFLEILEKT LSQGGKVLIP TFAVERAQEI LYVLYTHGHR LPRAPIYLDS DATA SEQUENCE PXAGRVLSLY PRLVRYFSEE VQAHFLQGKN PFRPAGLEVV EHTEASKALN DATA SEQUENCE RAPGPXVVLA GSGXLAGGRI LHHLKHGLSD PRNALVFVGY QPQGGLGAEI DATA SEQUENCE IARPPAVRIL GEEVPLRASV HTLGGFSGHA GQDELLDWLQ GEPRVVLVHG DATA SEQUENCE EEEKLLALGK LLALRGQEVS LARFGEGVPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.275 176.300 -0.042 0.000 0.893 2 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 2 R CB 0.000 30.285 30.300 -0.026 0.000 0.687 3 I N 4.636 125.176 120.570 -0.051 0.000 2.460 3 I HA 0.504 4.675 4.170 0.002 0.000 0.298 3 I C -0.873 175.177 176.117 -0.113 0.000 0.989 3 I CA -0.766 60.492 61.300 -0.070 0.000 1.173 3 I CB 2.090 40.056 38.000 -0.055 0.000 1.338 3 I HN 0.370 nan 8.210 nan 0.000 0.456 4 V N 8.854 128.669 119.914 -0.166 0.000 2.409 4 V HA 0.305 4.426 4.120 0.002 0.000 0.290 4 V C -2.401 173.388 176.094 -0.509 0.000 1.017 4 V CA -1.664 60.428 62.300 -0.347 0.000 0.841 4 V CB 1.744 33.315 31.823 -0.420 0.000 1.003 4 V HN 0.605 nan 8.190 nan 0.000 0.426 5 P HA 0.216 nan 4.420 nan 0.000 0.269 5 P C -0.382 176.378 177.300 -0.901 0.000 1.252 5 P CA 0.286 63.038 63.100 -0.579 0.000 0.780 5 P CB 0.041 31.537 31.700 -0.340 0.000 0.829 6 F N 2.596 122.166 119.950 -0.633 0.000 2.764 6 F HA 0.423 4.951 4.527 0.002 0.000 0.310 6 F C 1.364 176.947 175.800 -0.362 0.000 1.124 6 F CA 0.045 57.613 58.000 -0.720 0.000 1.252 6 F CB 0.560 39.431 39.000 -0.215 0.000 1.010 6 F HN 0.328 nan 8.300 nan 0.000 0.518 7 G N -0.385 108.293 108.800 -0.204 0.000 3.321 7 G HA2 0.432 4.394 3.960 0.002 0.000 0.169 7 G HA3 0.432 4.394 3.960 0.002 0.000 0.169 7 G C -0.234 174.720 174.900 0.089 0.000 1.153 7 G CA 0.012 45.103 45.100 -0.015 0.000 1.007 7 G HN 0.012 nan 8.290 nan 0.000 0.668 8 A N 0.564 123.381 122.820 -0.005 0.000 3.078 8 A HA 0.547 4.868 4.320 0.002 0.000 0.258 8 A C 0.823 178.467 177.584 0.099 0.000 1.971 8 A CA 0.997 53.080 52.037 0.076 0.000 1.524 8 A CB -1.522 17.492 19.000 0.023 0.000 0.871 8 A HN 1.570 nan 8.150 nan 0.000 0.609 9 A N 0.942 123.834 122.820 0.119 0.000 2.290 9 A HA 0.631 4.952 4.320 0.002 0.000 0.310 9 A C 1.225 178.874 177.584 0.108 0.000 1.202 9 A CA -0.644 51.454 52.037 0.101 0.000 0.837 9 A CB 0.285 19.339 19.000 0.089 0.000 1.139 9 A HN 0.681 nan 8.150 nan 0.000 0.509 10 R N -0.631 119.918 120.500 0.082 0.000 3.997 10 R HA -0.226 4.115 4.340 0.002 0.000 0.431 10 R C 0.455 176.785 176.300 0.049 0.000 1.066 10 R CA 2.277 58.413 56.100 0.060 0.000 1.382 10 R CB -2.177 28.152 30.300 0.048 0.000 1.978 10 R HN 1.069 nan 8.270 nan 0.000 0.550 11 E N -1.342 118.895 120.200 0.061 0.000 2.489 11 E HA 0.619 4.970 4.350 0.002 0.000 0.201 11 E C -0.380 176.223 176.600 0.006 0.000 0.752 11 E CA -0.621 55.801 56.400 0.037 0.000 0.948 11 E CB 1.182 30.915 29.700 0.055 0.000 1.871 11 E HN -0.075 nan 8.360 nan 0.000 0.383 12 V N 1.049 120.936 119.914 -0.045 0.000 3.076 12 V HA 0.349 4.471 4.120 0.002 0.000 0.374 12 V C -1.621 174.319 176.094 -0.257 0.000 1.303 12 V CA 0.733 62.888 62.300 -0.240 0.000 1.602 12 V CB 0.275 31.955 31.823 -0.238 0.000 1.167 12 V HN 0.862 nan 8.190 nan 0.000 0.596 13 T N -1.718 112.771 114.554 -0.108 0.000 2.775 13 T HA 0.579 4.930 4.350 0.002 0.000 0.320 13 T C 0.719 175.333 174.700 -0.142 0.000 1.597 13 T CA 0.063 62.123 62.100 -0.067 0.000 1.022 13 T CB 1.156 70.081 68.868 0.095 0.000 1.485 13 T HN 1.521 nan 8.240 nan 0.000 0.494 14 G N 1.205 109.764 108.800 -0.402 0.000 2.168 14 G HA2 -0.277 3.684 3.960 0.002 0.000 0.257 14 G HA3 -0.277 3.684 3.960 0.002 0.000 0.257 14 G C 0.199 174.838 174.900 -0.435 0.000 0.997 14 G CA 0.089 44.689 45.100 -0.834 0.000 0.708 14 G HN 1.390 nan 8.290 nan 0.000 0.520 15 S N 0.078 115.614 115.700 -0.274 0.000 3.074 15 S HA 0.379 4.851 4.470 0.002 0.000 0.359 15 S C 0.591 175.162 174.600 -0.049 0.000 1.207 15 S CA 0.874 59.002 58.200 -0.120 0.000 1.061 15 S CB 0.829 63.908 63.200 -0.201 0.000 0.769 15 S HN 1.975 nan 8.310 nan 0.000 0.512 16 A N 3.806 126.583 122.820 -0.070 0.000 2.538 16 A HA 0.514 4.835 4.320 0.002 0.000 0.293 16 A C -1.283 176.241 177.584 -0.100 0.000 1.065 16 A CA -0.873 51.175 52.037 0.018 0.000 0.936 16 A CB 0.532 19.562 19.000 0.050 0.000 1.481 16 A HN 0.797 nan 8.150 nan 0.000 0.394 17 H N 1.166 120.127 119.070 -0.181 0.000 2.481 17 H HA 0.577 5.134 4.556 0.002 0.000 0.333 17 H C -0.546 174.643 175.328 -0.232 0.000 1.066 17 H CA -0.794 55.113 56.048 -0.234 0.000 1.209 17 H CB 1.649 31.174 29.762 -0.394 0.000 1.445 17 H HN 0.546 nan 8.280 nan 0.000 0.488 18 L N 3.880 125.049 121.223 -0.090 0.000 2.261 18 L HA 0.267 4.609 4.340 0.002 0.000 0.289 18 L C -0.939 175.855 176.870 -0.125 0.000 1.059 18 L CA -0.650 54.074 54.840 -0.194 0.000 0.816 18 L CB 0.217 42.114 42.059 -0.270 0.000 1.191 18 L HN 0.569 nan 8.230 nan 0.000 0.431 19 L N 6.475 127.628 121.223 -0.116 0.000 2.281 19 L HA 0.438 4.779 4.340 0.002 0.000 0.285 19 L C -1.034 175.794 176.870 -0.070 0.000 1.074 19 L CA 0.196 54.990 54.840 -0.076 0.000 0.817 19 L CB 0.515 42.543 42.059 -0.052 0.000 1.168 19 L HN 0.540 nan 8.230 nan 0.000 0.434 20 L N 6.730 127.922 121.223 -0.052 0.000 2.276 20 L HA 0.891 5.232 4.340 0.002 0.000 0.286 20 L C -0.102 176.752 176.870 -0.026 0.000 1.024 20 L CA -0.261 54.556 54.840 -0.038 0.000 0.826 20 L CB 0.945 42.988 42.059 -0.028 0.000 1.211 20 L HN 0.868 nan 8.230 nan 0.000 0.422 21 A N 1.626 124.433 122.820 -0.022 0.000 2.522 21 A HA 0.603 4.924 4.320 0.002 0.000 0.291 21 A C 0.464 178.041 177.584 -0.013 0.000 1.039 21 A CA -0.017 52.011 52.037 -0.015 0.000 0.643 21 A CB 0.614 19.607 19.000 -0.012 0.000 1.310 21 A HN 0.877 nan 8.150 nan 0.000 0.436 22 G N -0.618 108.176 108.800 -0.010 0.000 2.244 22 G HA2 0.198 4.159 3.960 0.002 0.000 0.274 22 G HA3 0.198 4.159 3.960 0.002 0.000 0.274 22 G C 1.874 176.768 174.900 -0.009 0.000 1.002 22 G CA 1.792 46.886 45.100 -0.011 0.000 0.740 22 G HN 3.007 nan 8.290 nan 0.000 0.516 23 G N -2.135 106.660 108.800 -0.008 0.000 2.182 23 G HA2 -0.114 3.848 3.960 0.002 0.000 0.248 23 G HA3 -0.114 3.848 3.960 0.002 0.000 0.248 23 G C 0.220 175.118 174.900 -0.004 0.000 1.042 23 G CA 0.975 46.072 45.100 -0.005 0.000 0.775 23 G HN 0.990 nan 8.290 nan 0.000 0.501 24 R N -1.147 119.348 120.500 -0.008 0.000 2.817 24 R HA 0.665 5.006 4.340 0.002 0.000 0.268 24 R C -0.246 176.040 176.300 -0.023 0.000 1.027 24 R CA -0.930 55.165 56.100 -0.009 0.000 0.928 24 R CB 1.093 31.389 30.300 -0.007 0.000 1.228 24 R HN 0.296 nan 8.270 nan 0.000 0.469 25 R N 0.677 121.159 120.500 -0.030 0.000 2.468 25 R HA 0.404 4.745 4.340 0.002 0.000 0.302 25 R C -0.730 175.515 176.300 -0.092 0.000 1.041 25 R CA -0.678 55.381 56.100 -0.069 0.000 0.899 25 R CB 1.996 32.250 30.300 -0.077 0.000 1.167 25 R HN 0.383 nan 8.270 nan 0.000 0.483 26 V N 3.282 123.134 119.914 -0.103 0.000 2.604 26 V HA 0.491 4.612 4.120 0.002 0.000 0.305 26 V C -0.842 175.160 176.094 -0.154 0.000 1.043 26 V CA -0.914 61.325 62.300 -0.101 0.000 0.888 26 V CB 1.989 33.786 31.823 -0.043 0.000 0.995 26 V HN 0.659 nan 8.190 nan 0.000 0.429 27 L N 6.400 127.509 121.223 -0.191 0.000 2.259 27 L HA 0.458 4.799 4.340 0.002 0.000 0.288 27 L C -0.938 175.889 176.870 -0.073 0.000 1.051 27 L CA -0.606 54.098 54.840 -0.225 0.000 0.824 27 L CB 1.227 43.070 42.059 -0.360 0.000 1.206 27 L HN 0.700 nan 8.230 nan 0.000 0.429 28 L N 5.617 126.823 121.223 -0.028 0.000 2.315 28 L HA 0.284 4.626 4.340 0.002 0.000 0.283 28 L C 0.073 177.044 176.870 0.167 0.000 1.089 28 L CA 0.528 55.431 54.840 0.104 0.000 0.833 28 L CB -0.117 41.964 42.059 0.037 0.000 1.170 28 L HN 0.612 nan 8.230 nan 0.000 0.442 29 D N 1.351 121.885 120.400 0.223 0.000 10.957 29 D HA -0.270 4.371 4.640 0.002 0.000 0.361 29 D C -0.418 175.943 176.300 0.102 0.000 3.111 29 D CA 0.588 54.714 54.000 0.211 0.000 2.605 29 D CB -0.160 40.855 40.800 0.359 0.000 1.159 29 D HN 0.728 nan 8.370 nan 0.000 0.941 30 C N 2.406 121.755 119.300 0.081 0.000 3.253 30 C HA 0.578 5.039 4.460 0.002 0.000 0.230 30 C C 0.597 175.622 174.990 0.058 0.000 1.124 30 C CA 0.450 59.504 59.018 0.059 0.000 1.143 30 C CB -0.568 27.195 27.740 0.040 0.000 1.794 30 C HN 0.656 nan 8.230 nan 0.000 0.617 34 Q N 0.790 120.710 119.800 0.200 0.000 2.445 34 Q HA 0.809 5.150 4.340 0.002 0.000 0.281 34 Q C 0.433 176.499 176.000 0.110 0.000 1.101 34 Q CA -0.607 55.278 55.803 0.138 0.000 0.833 34 Q CB 2.619 31.418 28.738 0.102 0.000 1.416 34 Q HN 1.060 nan 8.270 nan 0.000 0.451 35 G N 1.290 110.146 108.800 0.094 0.000 2.539 35 G HA2 -0.350 3.611 3.960 0.002 0.000 0.256 35 G HA3 -0.350 3.611 3.960 0.002 0.000 0.256 35 G C 0.652 175.583 174.900 0.052 0.000 1.233 35 G CA 0.311 45.452 45.100 0.069 0.000 0.936 35 G HN 0.678 nan 8.290 nan 0.000 0.571 36 K N 0.512 120.930 120.400 0.029 0.000 2.063 36 K HA -0.113 4.208 4.320 0.002 0.000 0.208 36 K C 1.747 178.344 176.600 -0.005 0.000 1.048 36 K CA 2.229 58.521 56.287 0.008 0.000 0.928 36 K CB -0.559 31.937 32.500 -0.006 0.000 0.713 36 K HN 0.565 nan 8.250 nan 0.000 0.442 37 E N 1.341 121.538 120.200 -0.004 0.000 2.396 37 E HA -0.120 4.232 4.350 0.002 0.000 0.200 37 E C 1.263 177.853 176.600 -0.018 0.000 1.023 37 E CA 0.430 56.806 56.400 -0.041 0.000 0.857 37 E CB -0.062 29.642 29.700 0.006 0.000 0.775 37 E HN 0.363 nan 8.360 nan 0.000 0.525 38 E N 0.613 120.845 120.200 0.055 0.000 4.507 38 E HA -0.195 4.156 4.350 0.002 0.000 0.581 38 E C 1.380 178.001 176.600 0.036 0.000 1.133 38 E CA 1.127 57.583 56.400 0.093 0.000 3.968 38 E CB -0.156 29.607 29.700 0.105 0.000 1.758 38 E HN 0.055 nan 8.360 nan 0.000 0.301 39 A N -0.431 122.442 122.820 0.088 0.000 3.935 39 A HA -0.366 3.955 4.320 0.002 0.000 0.266 39 A C 1.669 179.286 177.584 0.056 0.000 0.893 39 A CA 2.729 54.861 52.037 0.159 0.000 1.045 39 A CB -1.514 17.529 19.000 0.071 0.000 0.887 39 A HN 0.538 nan 8.150 nan 0.000 0.590 40 R N -0.851 119.602 120.500 -0.079 0.000 2.297 40 R HA 0.067 4.409 4.340 0.002 0.000 0.197 40 R C 1.436 177.673 176.300 -0.104 0.000 0.943 40 R CA 0.857 56.860 56.100 -0.162 0.000 1.038 40 R CB -0.304 29.688 30.300 -0.512 0.000 0.957 40 R HN 0.835 nan 8.270 nan 0.000 0.484 41 N N 0.023 118.576 118.700 -0.246 0.000 2.512 41 N HA -0.087 4.654 4.740 0.002 0.000 0.183 41 N C 0.557 175.506 175.510 -0.936 0.000 1.073 41 N CA 0.546 53.154 53.050 -0.738 0.000 0.911 41 N CB 0.091 37.825 38.487 -1.256 0.000 0.964 41 N HN 0.378 nan 8.380 nan 0.000 0.447 42 H N -0.421 118.421 119.070 -0.379 0.000 2.551 42 H HA 0.361 4.918 4.556 0.002 0.000 0.271 42 H C 0.302 175.510 175.328 -0.200 0.000 0.984 42 H CA -0.255 55.650 56.048 -0.237 0.000 1.164 42 H CB 0.507 30.199 29.762 -0.117 0.000 1.437 42 H HN 0.120 nan 8.280 nan 0.000 0.550 43 A N 1.915 124.651 122.820 -0.140 0.000 2.295 43 A HA 0.407 4.728 4.320 0.002 0.000 0.318 43 A C -2.112 175.346 177.584 -0.210 0.000 1.134 43 A CA -1.717 50.240 52.037 -0.133 0.000 0.827 43 A CB 0.496 19.421 19.000 -0.125 0.000 1.136 43 A HN 0.026 nan 8.150 nan 0.000 0.493 44 P HA 0.168 nan 4.420 nan 0.000 0.269 44 P C -0.852 176.330 177.300 -0.198 0.000 1.215 44 P CA 0.140 63.115 63.100 -0.209 0.000 0.780 44 P CB 0.254 31.891 31.700 -0.106 0.000 0.898 45 F N 0.335 120.103 119.950 -0.303 0.000 2.471 45 F HA 0.247 4.775 4.527 0.002 0.000 0.353 45 F C 2.066 177.546 175.800 -0.532 0.000 1.113 45 F CA 0.495 58.163 58.000 -0.553 0.000 1.262 45 F CB -0.105 38.081 39.000 -1.357 0.000 1.146 45 F HN 0.401 nan 8.300 nan 0.000 0.578 46 G N 2.906 111.613 108.800 -0.155 0.000 3.028 46 G HA2 0.149 4.110 3.960 0.002 0.000 0.205 46 G HA3 0.149 4.110 3.960 0.002 0.000 0.205 46 G C -0.445 174.270 174.900 -0.308 0.000 1.182 46 G CA 0.217 45.310 45.100 -0.012 0.000 0.860 46 G HN 0.513 nan 8.290 nan 0.000 0.507 47 F N -2.921 116.754 119.950 -0.457 0.000 2.686 47 F HA 0.531 5.059 4.527 0.002 0.000 0.311 47 F C -1.294 174.386 175.800 -0.199 0.000 1.128 47 F CA -2.340 55.437 58.000 -0.372 0.000 0.946 47 F CB 0.979 39.595 39.000 -0.640 0.000 1.336 47 F HN -0.173 nan 8.300 nan 0.000 0.457 48 D N 3.776 124.197 120.400 0.035 0.000 2.344 48 D HA 0.251 4.892 4.640 0.002 0.000 0.253 48 D C -1.439 174.885 176.300 0.039 0.000 1.255 48 D CA -2.427 51.572 54.000 -0.001 0.000 0.894 48 D CB 1.287 42.107 40.800 0.034 0.000 1.067 48 D HN 0.357 nan 8.370 nan 0.000 0.492 49 P HA -0.139 nan 4.420 nan 0.000 0.226 49 P C 0.487 177.785 177.300 -0.002 0.000 1.146 49 P CA 0.846 63.889 63.100 -0.095 0.000 0.773 49 P CB 0.340 31.952 31.700 -0.147 0.000 0.772 50 K N -0.474 119.952 120.400 0.043 0.000 2.400 50 K HA 0.024 4.346 4.320 0.002 0.000 0.194 50 K C 1.679 178.329 176.600 0.083 0.000 1.033 50 K CA 0.431 56.767 56.287 0.081 0.000 1.021 50 K CB 0.107 32.641 32.500 0.058 0.000 0.808 50 K HN 0.025 nan 8.250 nan 0.000 0.505 51 E N 0.610 120.845 120.200 0.058 0.000 2.472 51 E HA 0.040 4.391 4.350 0.002 0.000 0.196 51 E C -0.143 176.471 176.600 0.022 0.000 1.033 51 E CA 0.140 56.567 56.400 0.045 0.000 0.886 51 E CB 0.528 30.252 29.700 0.040 0.000 0.944 51 E HN -0.051 nan 8.360 nan 0.000 0.492 52 V N 2.723 122.630 119.914 -0.013 0.000 2.555 52 V HA -0.012 4.109 4.120 0.002 0.000 0.286 52 V C 1.165 177.304 176.094 0.075 0.000 1.044 52 V CA 0.174 62.410 62.300 -0.105 0.000 1.026 52 V CB 1.258 32.836 31.823 -0.407 0.000 0.981 52 V HN 0.050 nan 8.190 nan 0.000 0.480 53 D N 3.037 123.474 120.400 0.061 0.000 2.271 53 D HA 0.310 4.951 4.640 0.002 0.000 0.206 53 D C 0.535 176.976 176.300 0.235 0.000 0.967 53 D CA 1.154 55.243 54.000 0.147 0.000 0.867 53 D CB 0.935 41.781 40.800 0.077 0.000 0.960 53 D HN 0.682 nan 8.370 nan 0.000 0.509 54 A N 0.056 122.972 122.820 0.159 0.000 2.583 54 A HA 0.474 4.795 4.320 0.002 0.000 0.292 54 A C -1.321 176.312 177.584 0.080 0.000 1.045 54 A CA -0.637 51.552 52.037 0.252 0.000 0.672 54 A CB 1.170 20.367 19.000 0.328 0.000 1.283 54 A HN 0.021 nan 8.150 nan 0.000 0.419 55 V N -0.707 119.297 119.914 0.151 0.000 3.001 55 V HA 0.973 5.095 4.120 0.002 0.000 0.314 55 V C -1.519 174.704 176.094 0.214 0.000 1.099 55 V CA -0.897 61.443 62.300 0.067 0.000 0.989 55 V CB 1.638 33.436 31.823 -0.040 0.000 1.040 55 V HN 1.032 nan 8.190 nan 0.000 0.434 56 L N 3.936 125.271 121.223 0.186 0.000 2.386 56 L HA 0.708 5.049 4.340 0.002 0.000 0.271 56 L C -0.961 176.084 176.870 0.292 0.000 0.993 56 L CA -0.383 54.628 54.840 0.285 0.000 0.819 56 L CB 1.861 44.047 42.059 0.213 0.000 1.294 56 L HN 0.621 nan 8.230 nan 0.000 0.414 57 L N 2.230 123.639 121.223 0.310 0.000 2.305 57 L HA 0.590 4.931 4.340 0.002 0.000 0.284 57 L C 0.146 176.979 176.870 -0.062 0.000 1.013 57 L CA -0.396 54.517 54.840 0.121 0.000 0.819 57 L CB 1.736 43.829 42.059 0.055 0.000 1.227 57 L HN 0.688 nan 8.230 nan 0.000 0.417 58 T N 1.435 115.898 114.554 -0.151 0.000 2.738 58 T HA 0.498 4.849 4.350 0.002 0.000 0.298 58 T C -0.004 174.406 174.700 -0.483 0.000 0.962 58 T CA -0.463 61.443 62.100 -0.324 0.000 0.972 58 T CB 0.148 68.866 68.868 -0.251 0.000 0.928 58 T HN 0.831 nan 8.240 nan 0.000 0.474 59 H N 1.238 120.120 119.070 -0.312 0.000 3.937 59 H HA -0.229 4.328 4.556 0.002 0.000 0.250 59 H C 0.258 175.471 175.328 -0.192 0.000 0.600 59 H CA -0.159 55.722 56.048 -0.278 0.000 0.716 59 H CB -1.065 28.534 29.762 -0.272 0.000 1.183 59 H HN 0.989 nan 8.280 nan 0.000 0.290 60 A N 3.217 125.994 122.820 -0.072 0.000 2.261 60 A HA 0.019 4.340 4.320 0.002 0.000 0.208 60 A C 0.789 178.428 177.584 0.093 0.000 1.223 60 A CA 0.475 52.486 52.037 -0.044 0.000 0.833 60 A CB -0.779 18.174 19.000 -0.080 0.000 0.830 60 A HN 0.726 nan 8.150 nan 0.000 0.483 61 H N -1.173 118.025 119.070 0.214 0.000 3.038 61 H HA 0.026 4.583 4.556 0.002 0.000 0.338 61 H C 1.375 176.814 175.328 0.184 0.000 1.041 61 H CA -0.373 55.824 56.048 0.249 0.000 1.394 61 H CB 0.678 30.717 29.762 0.461 0.000 1.357 61 H HN 0.251 nan 8.280 nan 0.000 0.600 62 L N 2.854 124.258 121.223 0.302 0.000 2.127 62 L HA -0.192 4.149 4.340 0.002 0.000 0.211 62 L C 1.830 178.800 176.870 0.166 0.000 1.089 62 L CA 1.889 56.839 54.840 0.183 0.000 0.757 62 L CB -0.481 41.658 42.059 0.135 0.000 0.899 62 L HN 0.800 nan 8.230 nan 0.000 0.434 63 D N -2.995 117.518 120.400 0.189 0.000 2.344 63 D HA -0.118 4.523 4.640 0.002 0.000 0.242 63 D C 0.876 177.175 176.300 -0.001 0.000 1.159 63 D CA 0.347 54.402 54.000 0.092 0.000 0.859 63 D CB -0.160 40.667 40.800 0.045 0.000 0.925 63 D HN 0.563 nan 8.370 nan 0.000 0.510 64 H N -1.143 117.969 119.070 0.069 0.000 3.794 64 H HA 0.093 4.650 4.556 0.002 0.000 0.258 64 H C 1.187 176.517 175.328 0.003 0.000 1.120 64 H CA 0.067 56.125 56.048 0.017 0.000 1.166 64 H CB 1.655 31.323 29.762 -0.157 0.000 1.517 64 H HN 0.127 nan 8.280 nan 0.000 0.615 65 V N 0.226 120.218 119.914 0.130 0.000 3.539 65 V HA 0.202 4.323 4.120 0.002 0.000 0.262 65 V C 2.155 178.290 176.094 0.068 0.000 1.381 65 V CA 1.200 63.549 62.300 0.081 0.000 1.060 65 V CB 0.389 32.246 31.823 0.057 0.000 0.842 65 V HN 0.407 nan 8.190 nan 0.000 0.445 66 G N 1.069 109.923 108.800 0.090 0.000 2.649 66 G HA2 -0.340 3.621 3.960 0.002 0.000 0.220 66 G HA3 -0.340 3.621 3.960 0.002 0.000 0.220 66 G C 1.510 176.497 174.900 0.144 0.000 1.189 66 G CA 1.380 46.551 45.100 0.118 0.000 0.777 66 G HN 0.510 nan 8.290 nan 0.000 0.602 67 R N -0.212 120.390 120.500 0.170 0.000 2.323 67 R HA 0.177 4.519 4.340 0.002 0.000 0.198 67 R C 2.256 178.699 176.300 0.239 0.000 0.988 67 R CA -0.075 56.188 56.100 0.272 0.000 1.041 67 R CB -0.229 30.224 30.300 0.256 0.000 0.926 67 R HN 0.360 nan 8.270 nan 0.000 0.476 68 L N 2.574 123.869 121.223 0.120 0.000 1.997 68 L HA -0.150 4.191 4.340 0.002 0.000 0.216 68 L C -0.999 175.981 176.870 0.184 0.000 1.074 68 L CA 2.180 57.105 54.840 0.141 0.000 0.763 68 L CB -0.933 41.196 42.059 0.117 0.000 0.890 68 L HN 0.056 nan 8.230 nan 0.000 0.434 69 P HA -0.221 nan 4.420 nan 0.000 0.221 69 P C 1.386 178.729 177.300 0.070 0.000 1.145 69 P CA 1.599 64.593 63.100 -0.176 0.000 0.795 69 P CB -0.151 30.980 31.700 -0.948 0.000 0.775 70 K N -0.116 120.394 120.400 0.184 0.000 2.031 70 K HA -0.123 4.198 4.320 0.002 0.000 0.205 70 K C 2.140 178.962 176.600 0.371 0.000 1.049 70 K CA 0.722 57.221 56.287 0.354 0.000 0.939 70 K CB -0.657 32.072 32.500 0.382 0.000 0.717 70 K HN -0.082 nan 8.250 nan 0.000 0.438 71 L N 1.036 122.519 121.223 0.432 0.000 2.013 71 L HA -0.169 4.172 4.340 0.002 0.000 0.212 71 L C 1.980 178.891 176.870 0.067 0.000 1.073 71 L CA 1.817 56.781 54.840 0.207 0.000 0.753 71 L CB -0.645 41.349 42.059 -0.109 0.000 0.890 71 L HN 0.176 nan 8.230 nan 0.000 0.432 72 F N -0.204 119.826 119.950 0.134 0.000 2.134 72 F HA -0.189 4.340 4.527 0.002 0.000 0.299 72 F C 2.767 178.616 175.800 0.082 0.000 1.097 72 F CA 1.880 59.927 58.000 0.079 0.000 1.264 72 F CB -0.513 38.466 39.000 -0.035 0.000 1.001 72 F HN 0.101 nan 8.300 nan 0.000 0.479 73 R N 1.109 121.772 120.500 0.271 0.000 2.117 73 R HA -0.203 4.138 4.340 0.002 0.000 0.243 73 R C 1.235 177.632 176.300 0.161 0.000 1.143 73 R CA 2.021 58.243 56.100 0.204 0.000 0.968 73 R CB -0.446 29.987 30.300 0.222 0.000 0.863 73 R HN 0.340 nan 8.270 nan 0.000 0.444 74 E N -1.280 119.020 120.200 0.166 0.000 2.403 74 E HA 0.090 4.441 4.350 0.002 0.000 0.187 74 E C 0.550 177.207 176.600 0.095 0.000 1.073 74 E CA 0.339 56.814 56.400 0.126 0.000 0.888 74 E CB 0.704 30.493 29.700 0.148 0.000 1.035 74 E HN 0.718 nan 8.360 nan 0.000 0.471 75 G N 1.027 109.884 108.800 0.095 0.000 2.284 75 G HA2 -0.284 3.677 3.960 0.002 0.000 0.201 75 G HA3 -0.284 3.677 3.960 0.002 0.000 0.201 75 G C -0.128 174.812 174.900 0.066 0.000 0.998 75 G CA -0.402 44.743 45.100 0.075 0.000 0.651 75 G HN 0.413 nan 8.290 nan 0.000 0.489 76 Y N 2.120 122.331 120.300 -0.150 0.000 2.425 76 Y HA 0.561 5.112 4.550 0.002 0.000 0.331 76 Y C 1.230 176.982 175.900 -0.248 0.000 1.157 76 Y CA -0.135 57.801 58.100 -0.273 0.000 1.372 76 Y CB 0.559 38.705 38.460 -0.523 0.000 1.253 76 Y HN 0.002 nan 8.280 nan 0.000 0.536 77 R N 4.150 124.271 120.500 -0.632 0.000 2.566 77 R HA 0.219 4.560 4.340 0.002 0.000 0.388 77 R C 0.380 176.463 176.300 -0.361 0.000 0.989 77 R CA 0.223 56.147 56.100 -0.294 0.000 1.164 77 R CB 0.575 30.879 30.300 0.006 0.000 1.459 77 R HN 0.887 nan 8.270 nan 0.000 0.553 78 G N 2.092 110.083 108.800 -1.348 0.000 2.553 78 G HA2 0.306 4.267 3.960 0.002 0.000 0.278 78 G HA3 0.306 4.267 3.960 0.002 0.000 0.278 78 G C -2.380 172.430 174.900 -0.150 0.000 1.349 78 G CA -0.733 43.980 45.100 -0.644 0.000 1.037 78 G HN -0.091 nan 8.290 nan 0.000 0.508 79 P HA 0.368 nan 4.420 nan 0.000 0.281 79 P C -0.977 176.363 177.300 0.067 0.000 1.249 79 P CA -0.374 62.716 63.100 -0.018 0.000 0.810 79 P CB 1.952 33.500 31.700 -0.254 0.000 1.008 80 V N 3.322 123.203 119.914 -0.055 0.000 2.409 80 V HA 0.270 4.391 4.120 0.002 0.000 0.290 80 V C -0.660 175.375 176.094 -0.098 0.000 1.017 80 V CA -0.503 61.836 62.300 0.065 0.000 0.841 80 V CB 0.561 32.512 31.823 0.214 0.000 1.003 80 V HN 0.389 nan 8.190 nan 0.000 0.426 81 Y N 3.128 123.504 120.300 0.127 0.000 2.330 81 Y HA 0.819 5.370 4.550 0.002 0.000 0.336 81 Y C 0.495 176.525 175.900 0.216 0.000 1.036 81 Y CA -0.221 57.947 58.100 0.113 0.000 1.125 81 Y CB 1.859 40.331 38.460 0.021 0.000 1.194 81 Y HN 0.793 nan 8.280 nan 0.000 0.469 82 A N 0.811 123.832 122.820 0.336 0.000 2.581 82 A HA 0.708 5.029 4.320 0.002 0.000 0.290 82 A C -0.448 177.207 177.584 0.117 0.000 1.119 82 A CA -0.711 51.468 52.037 0.237 0.000 0.670 82 A CB 0.558 19.585 19.000 0.046 0.000 1.280 82 A HN 0.639 nan 8.150 nan 0.000 0.425 83 T N -1.626 112.870 114.554 -0.096 0.000 2.882 83 T HA 0.408 4.759 4.350 0.002 0.000 0.287 83 T C 1.114 175.717 174.700 -0.162 0.000 1.014 83 T CA 0.109 62.118 62.100 -0.151 0.000 1.049 83 T CB 1.036 69.701 68.868 -0.338 0.000 1.001 83 T HN 0.777 nan 8.240 nan 0.000 0.525 84 R N 0.786 121.237 120.500 -0.080 0.000 2.083 84 R HA -0.097 4.244 4.340 0.002 0.000 0.237 84 R C 2.651 178.779 176.300 -0.286 0.000 1.137 84 R CA 1.605 57.645 56.100 -0.100 0.000 0.951 84 R CB -1.080 29.234 30.300 0.023 0.000 0.851 84 R HN 0.870 nan 8.270 nan 0.000 0.434 85 A N -0.004 122.412 122.820 -0.674 0.000 1.884 85 A HA -0.234 4.087 4.320 0.002 0.000 0.219 85 A C 2.223 179.508 177.584 -0.498 0.000 1.197 85 A CA 2.396 53.937 52.037 -0.827 0.000 0.637 85 A CB -1.231 16.794 19.000 -1.625 0.000 0.827 85 A HN 0.487 nan 8.150 nan 0.000 0.450 86 T N -0.366 113.915 114.554 -0.455 0.000 2.684 86 T HA -0.139 4.213 4.350 0.002 0.000 0.267 86 T C 1.876 176.461 174.700 -0.192 0.000 1.036 86 T CA 1.693 63.620 62.100 -0.289 0.000 1.148 86 T CB -0.542 68.167 68.868 -0.265 0.000 0.863 86 T HN 0.177 nan 8.240 nan 0.000 0.436 87 V N 1.444 121.257 119.914 -0.169 0.000 2.392 87 V HA -0.122 4.000 4.120 0.002 0.000 0.249 87 V C 2.424 178.457 176.094 -0.102 0.000 1.059 87 V CA 1.460 63.696 62.300 -0.107 0.000 1.051 87 V CB -0.656 31.118 31.823 -0.081 0.000 0.658 87 V HN 0.449 nan 8.190 nan 0.000 0.455 88 L N -1.240 119.905 121.223 -0.129 0.000 2.131 88 L HA 0.041 4.382 4.340 0.002 0.000 0.206 88 L C 1.340 178.160 176.870 -0.083 0.000 1.087 88 L CA 0.527 55.308 54.840 -0.098 0.000 0.767 88 L CB -0.231 41.765 42.059 -0.105 0.000 0.917 88 L HN 0.252 nan 8.230 nan 0.000 0.441 92 I N -0.030 120.542 120.570 0.003 0.000 3.818 92 I HA 0.011 4.182 4.170 0.002 0.000 0.242 92 I C 2.110 178.248 176.117 0.034 0.000 1.111 92 I CA -0.007 61.304 61.300 0.020 0.000 1.576 92 I CB -0.131 37.883 38.000 0.024 0.000 1.572 92 I HN -0.152 nan 8.210 nan 0.000 0.450 93 V N 2.384 122.322 119.914 0.040 0.000 2.313 93 V HA -0.357 3.764 4.120 0.002 0.000 0.261 93 V C 2.333 178.469 176.094 0.070 0.000 1.096 93 V CA 2.264 64.602 62.300 0.063 0.000 1.090 93 V CB -0.746 31.114 31.823 0.063 0.000 0.683 93 V HN 0.356 nan 8.190 nan 0.000 0.452 94 L N -1.277 119.974 121.223 0.047 0.000 2.209 94 L HA -0.012 4.330 4.340 0.002 0.000 0.207 94 L C 2.633 179.556 176.870 0.087 0.000 1.094 94 L CA 0.803 55.678 54.840 0.058 0.000 0.790 94 L CB -0.595 41.456 42.059 -0.013 0.000 0.932 94 L HN 0.273 nan 8.230 nan 0.000 0.447 95 E N 0.411 120.644 120.200 0.054 0.000 2.077 95 E HA -0.263 4.088 4.350 0.002 0.000 0.193 95 E C 1.721 178.354 176.600 0.054 0.000 0.989 95 E CA 1.393 57.824 56.400 0.051 0.000 0.800 95 E CB -0.238 29.479 29.700 0.029 0.000 0.746 95 E HN 0.467 nan 8.360 nan 0.000 0.452 96 D N 0.221 120.655 120.400 0.056 0.000 2.183 96 D HA -0.078 4.563 4.640 0.002 0.000 0.203 96 D C 1.701 178.038 176.300 0.062 0.000 0.969 96 D CA 1.123 55.155 54.000 0.053 0.000 0.842 96 D CB 0.194 41.029 40.800 0.059 0.000 0.957 96 D HN 0.059 nan 8.370 nan 0.000 0.484 97 A N 0.677 123.552 122.820 0.092 0.000 2.015 97 A HA -0.069 4.252 4.320 0.002 0.000 0.219 97 A C 2.121 179.730 177.584 0.042 0.000 1.163 97 A CA 0.587 52.686 52.037 0.104 0.000 0.646 97 A CB -0.493 18.615 19.000 0.180 0.000 0.806 97 A HN 0.348 nan 8.150 nan 0.000 0.448 98 L N -1.420 119.836 121.223 0.056 0.000 2.599 98 L HA 0.198 4.539 4.340 0.002 0.000 0.230 98 L C 1.634 178.466 176.870 -0.063 0.000 1.141 98 L CA 1.493 56.301 54.840 -0.053 0.000 0.877 98 L CB -0.253 41.843 42.059 0.062 0.000 1.009 98 L HN 0.353 nan 8.230 nan 0.000 0.447 99 K N -1.546 118.841 120.400 -0.021 0.000 2.399 99 K HA 0.195 4.516 4.320 0.002 0.000 0.196 99 K C 0.289 176.882 176.600 -0.012 0.000 1.117 99 K CA 0.704 56.982 56.287 -0.016 0.000 0.965 99 K CB 0.698 33.199 32.500 0.002 0.000 0.983 99 K HN 0.195 nan 8.250 nan 0.000 0.531 103 E N 0.852 121.085 120.200 0.054 0.000 2.937 103 E HA -0.141 4.210 4.350 0.002 0.000 0.152 103 E C -2.566 174.159 176.600 0.208 0.000 1.769 103 E CA 0.242 56.696 56.400 0.090 0.000 0.688 103 E CB -0.475 29.263 29.700 0.064 0.000 1.091 103 E HN 0.173 nan 8.360 nan 0.000 0.362 104 P HA 0.338 nan 4.420 nan 0.000 0.293 104 P C -0.558 176.740 177.300 -0.002 0.000 1.291 104 P CA -0.643 62.426 63.100 -0.052 0.000 0.867 104 P CB 0.677 32.155 31.700 -0.369 0.000 1.074 105 F N 1.029 120.883 119.950 -0.160 0.000 2.411 105 F HA 0.700 5.228 4.527 0.002 0.000 0.324 105 F C 0.195 175.916 175.800 -0.130 0.000 1.086 105 F CA -1.406 56.562 58.000 -0.052 0.000 1.028 105 F CB 0.161 39.114 39.000 -0.077 0.000 1.284 105 F HN 0.455 nan 8.300 nan 0.000 0.501 106 F N -0.877 119.054 119.950 -0.032 0.000 2.057 106 F HA 0.086 4.614 4.527 0.002 0.000 0.415 106 F C -0.073 175.653 175.800 -0.124 0.000 1.176 106 F CA -0.462 57.481 58.000 -0.095 0.000 1.347 106 F CB -1.462 37.446 39.000 -0.153 0.000 2.135 106 F HN 1.006 nan 8.300 nan 0.000 0.730 107 G N 4.004 112.892 108.800 0.148 0.000 2.531 107 G HA2 0.664 4.625 3.960 0.002 0.000 0.281 107 G HA3 0.664 4.625 3.960 0.002 0.000 0.281 107 G C -1.955 173.031 174.900 0.143 0.000 1.382 107 G CA -0.516 44.614 45.100 0.050 0.000 1.045 107 G HN 0.598 nan 8.290 nan 0.000 0.533 108 P HA -0.010 nan 4.420 nan 0.000 0.224 108 P C 1.181 178.512 177.300 0.053 0.000 1.157 108 P CA 0.912 64.054 63.100 0.071 0.000 0.799 108 P CB 0.280 31.997 31.700 0.029 0.000 0.809 109 E N 0.060 120.287 120.200 0.046 0.000 2.482 109 E HA -0.112 4.240 4.350 0.002 0.000 0.196 109 E C 0.869 177.480 176.600 0.018 0.000 1.047 109 E CA 0.705 57.119 56.400 0.024 0.000 0.869 109 E CB -0.814 28.903 29.700 0.029 0.000 0.836 109 E HN 0.252 nan 8.360 nan 0.000 0.520 110 D N 0.598 121.032 120.400 0.056 0.000 2.277 110 D HA 0.014 4.655 4.640 0.002 0.000 0.209 110 D C 1.994 178.249 176.300 -0.076 0.000 0.970 110 D CA 0.541 54.568 54.000 0.044 0.000 0.874 110 D CB 0.564 41.463 40.800 0.165 0.000 0.982 110 D HN 0.088 nan 8.370 nan 0.000 0.504 111 V N 2.083 121.974 119.914 -0.039 0.000 2.453 111 V HA -0.199 3.922 4.120 0.002 0.000 0.247 111 V C 2.444 178.446 176.094 -0.154 0.000 1.048 111 V CA 1.814 64.043 62.300 -0.118 0.000 1.049 111 V CB -0.537 31.280 31.823 -0.010 0.000 0.672 111 V HN 0.260 nan 8.190 nan 0.000 0.457 112 E N 0.906 121.042 120.200 -0.108 0.000 2.107 112 E HA -0.258 4.093 4.350 0.002 0.000 0.191 112 E C 1.981 178.462 176.600 -0.199 0.000 0.982 112 E CA 1.410 57.740 56.400 -0.116 0.000 0.809 112 E CB -0.370 29.293 29.700 -0.061 0.000 0.756 112 E HN 0.522 nan 8.360 nan 0.000 0.459 113 E N 1.414 121.465 120.200 -0.247 0.000 2.058 113 E HA -0.194 4.157 4.350 0.002 0.000 0.194 113 E C 1.937 177.973 176.600 -0.939 0.000 0.997 113 E CA 1.882 58.039 56.400 -0.404 0.000 0.801 113 E CB -0.532 28.989 29.700 -0.298 0.000 0.746 113 E HN 0.391 nan 8.360 nan 0.000 0.450 114 A N 0.280 122.421 122.820 -1.132 0.000 1.828 114 A HA -0.160 4.162 4.320 0.002 0.000 0.215 114 A C 2.137 179.331 177.584 -0.650 0.000 1.203 114 A CA 1.609 52.751 52.037 -1.492 0.000 0.614 114 A CB -1.103 17.493 19.000 -0.674 0.000 0.844 114 A HN 0.333 nan 8.150 nan 0.000 0.445 115 L N 0.269 121.282 121.223 -0.350 0.000 2.151 115 L HA -0.211 4.131 4.340 0.002 0.000 0.215 115 L C 2.531 179.324 176.870 -0.129 0.000 1.084 115 L CA 1.956 56.688 54.840 -0.179 0.000 0.764 115 L CB -1.211 40.771 42.059 -0.128 0.000 0.891 115 L HN 0.465 nan 8.230 nan 0.000 0.435 116 G N -2.892 105.827 108.800 -0.134 0.000 2.625 116 G HA2 -0.178 3.783 3.960 0.002 0.000 0.214 116 G HA3 -0.178 3.783 3.960 0.002 0.000 0.214 116 G C 1.138 176.123 174.900 0.142 0.000 1.132 116 G CA 0.348 45.456 45.100 0.012 0.000 0.782 116 G HN 0.611 nan 8.290 nan 0.000 0.538 117 H N -0.911 118.044 119.070 -0.191 0.000 2.674 117 H HA 0.279 4.836 4.556 0.002 0.000 0.274 117 H C -0.007 175.263 175.328 -0.097 0.000 1.121 117 H CA -0.640 55.348 56.048 -0.100 0.000 1.132 117 H CB 0.754 30.534 29.762 0.030 0.000 1.606 117 H HN 0.155 nan 8.280 nan 0.000 0.558 118 L N 2.722 123.948 121.223 0.005 0.000 2.433 118 L HA 0.174 4.515 4.340 0.002 0.000 0.275 118 L C 0.260 177.077 176.870 -0.087 0.000 1.128 118 L CA 0.337 55.153 54.840 -0.039 0.000 0.875 118 L CB 0.327 42.366 42.059 -0.034 0.000 1.171 118 L HN 0.066 nan 8.230 nan 0.000 0.463 119 R N 4.253 124.656 120.500 -0.162 0.000 2.562 119 R HA 0.478 4.819 4.340 0.002 0.000 0.298 119 R C -2.492 173.802 176.300 -0.010 0.000 0.961 119 R CA -1.985 54.033 56.100 -0.137 0.000 0.881 119 R CB 1.541 31.674 30.300 -0.279 0.000 1.159 119 R HN 0.269 nan 8.270 nan 0.000 0.450 120 P HA 0.122 nan 4.420 nan 0.000 0.271 120 P C -1.279 176.107 177.300 0.144 0.000 1.218 120 P CA -0.362 62.783 63.100 0.076 0.000 0.780 120 P CB 0.630 32.350 31.700 0.033 0.000 0.901 121 L N 1.406 122.713 121.223 0.140 0.000 2.753 121 L HA 0.320 4.661 4.340 0.002 0.000 0.259 121 L C -0.992 175.946 176.870 0.113 0.000 0.958 121 L CA -0.206 54.695 54.840 0.102 0.000 0.955 121 L CB 1.071 43.178 42.059 0.080 0.000 1.317 121 L HN 0.168 nan 8.230 nan 0.000 0.436 122 E N 2.562 122.757 120.200 -0.008 0.000 2.254 122 E HA 0.333 4.684 4.350 0.002 0.000 0.261 122 E C -0.901 175.637 176.600 -0.103 0.000 1.051 122 E CA -0.719 55.604 56.400 -0.129 0.000 0.902 122 E CB 0.533 30.138 29.700 -0.159 0.000 1.168 122 E HN 0.430 nan 8.360 nan 0.000 0.423 123 Y N 0.226 120.528 120.300 0.004 0.000 2.904 123 Y HA 0.119 4.671 4.550 0.002 0.000 0.336 123 Y C 1.836 177.644 175.900 -0.153 0.000 1.263 123 Y CA 1.476 59.526 58.100 -0.084 0.000 1.547 123 Y CB -0.436 37.960 38.460 -0.107 0.000 1.272 123 Y HN 0.825 nan 8.280 nan 0.000 0.596 124 G N 1.394 110.131 108.800 -0.106 0.000 2.304 124 G HA2 -0.313 3.648 3.960 0.002 0.000 0.252 124 G HA3 -0.313 3.648 3.960 0.002 0.000 0.252 124 G C 0.231 174.923 174.900 -0.347 0.000 1.014 124 G CA 0.231 45.194 45.100 -0.228 0.000 0.619 124 G HN 0.594 nan 8.290 nan 0.000 0.525 125 E N -0.496 119.547 120.200 -0.262 0.000 2.383 125 E HA 0.393 4.744 4.350 0.002 0.000 0.264 125 E C -0.485 175.888 176.600 -0.378 0.000 1.050 125 E CA -0.424 55.859 56.400 -0.195 0.000 0.896 125 E CB 0.424 30.056 29.700 -0.114 0.000 0.982 125 E HN 0.388 nan 8.360 nan 0.000 0.424 126 W N 3.039 124.276 121.300 -0.104 0.000 2.529 126 W HA 0.353 5.014 4.660 0.002 0.000 0.321 126 W C -0.683 175.733 176.519 -0.172 0.000 1.047 126 W CA -0.675 56.587 57.345 -0.137 0.000 1.216 126 W CB 0.795 30.195 29.460 -0.100 0.000 1.357 126 W HN 0.305 nan 8.180 nan 0.000 0.489 127 L N 4.577 125.778 121.223 -0.037 0.000 2.322 127 L HA 0.620 4.961 4.340 0.002 0.000 0.279 127 L C -0.456 176.369 176.870 -0.074 0.000 1.036 127 L CA -0.844 53.895 54.840 -0.168 0.000 0.807 127 L CB 0.809 42.591 42.059 -0.461 0.000 1.226 127 L HN 0.311 nan 8.230 nan 0.000 0.433 128 R N 6.532 126.988 120.500 -0.074 0.000 2.409 128 R HA 0.526 4.867 4.340 0.002 0.000 0.313 128 R C -1.618 174.657 176.300 -0.042 0.000 0.953 128 R CA -0.584 55.492 56.100 -0.040 0.000 0.849 128 R CB 1.429 31.716 30.300 -0.022 0.000 1.171 128 R HN 0.622 nan 8.270 nan 0.000 0.458 129 L N 2.249 123.450 121.223 -0.037 0.000 2.388 129 L HA 0.327 4.668 4.340 0.002 0.000 0.267 129 L C 0.667 177.529 176.870 -0.014 0.000 0.995 129 L CA -0.768 54.062 54.840 -0.018 0.000 0.864 129 L CB 1.595 43.644 42.059 -0.017 0.000 1.216 129 L HN 0.805 nan 8.230 nan 0.000 0.430 130 G N 2.727 111.521 108.800 -0.010 0.000 2.780 130 G HA2 -0.067 3.894 3.960 0.002 0.000 0.343 130 G HA3 -0.067 3.894 3.960 0.002 0.000 0.343 130 G C 1.124 176.015 174.900 -0.016 0.000 0.120 130 G CA 0.585 45.678 45.100 -0.012 0.000 1.237 130 G HN 1.331 nan 8.290 nan 0.000 0.526 131 A N 0.936 123.743 122.820 -0.022 0.000 4.176 131 A HA -0.218 4.103 4.320 0.002 0.000 0.267 131 A C 0.943 178.513 177.584 -0.023 0.000 0.896 131 A CA 2.239 54.261 52.037 -0.025 0.000 1.058 131 A CB -1.344 17.645 19.000 -0.019 0.000 1.051 131 A HN 2.216 nan 8.150 nan 0.000 0.794 132 L N 0.177 121.388 121.223 -0.020 0.000 2.317 132 L HA 0.774 5.115 4.340 0.002 0.000 0.281 132 L C -0.095 176.772 176.870 -0.006 0.000 1.024 132 L CA 0.108 54.940 54.840 -0.013 0.000 0.810 132 L CB 2.111 44.161 42.059 -0.014 0.000 1.240 132 L HN 0.240 nan 8.230 nan 0.000 0.427 133 S N 5.251 120.965 115.700 0.025 0.000 2.605 133 S HA 0.774 5.245 4.470 0.002 0.000 0.308 133 S C -0.952 173.766 174.600 0.197 0.000 1.113 133 S CA -0.423 57.835 58.200 0.098 0.000 1.049 133 S CB 1.034 64.255 63.200 0.036 0.000 1.001 133 S HN 0.440 nan 8.310 nan 0.000 0.480 134 L N 2.414 123.716 121.223 0.132 0.000 2.354 134 L HA 0.987 5.328 4.340 0.002 0.000 0.269 134 L C -0.217 176.504 176.870 -0.249 0.000 1.005 134 L CA -0.491 54.328 54.840 -0.035 0.000 0.819 134 L CB 1.912 43.864 42.059 -0.179 0.000 1.311 134 L HN 0.731 nan 8.230 nan 0.000 0.423 135 A N 1.318 123.849 122.820 -0.482 0.000 2.547 135 A HA 0.796 5.117 4.320 0.002 0.000 0.297 135 A C -1.437 175.820 177.584 -0.545 0.000 1.056 135 A CA -0.450 51.114 52.037 -0.788 0.000 0.688 135 A CB 0.906 18.941 19.000 -1.608 0.000 1.282 135 A HN 0.331 nan 8.150 nan 0.000 0.400 136 F N 0.787 120.491 119.950 -0.410 0.000 2.378 136 F HA 0.677 5.205 4.527 0.002 0.000 0.319 136 F C 1.204 176.707 175.800 -0.494 0.000 1.155 136 F CA 0.018 57.810 58.000 -0.348 0.000 1.157 136 F CB 1.681 40.584 39.000 -0.161 0.000 1.252 136 F HN 0.783 nan 8.300 nan 0.000 0.550 137 G N 0.234 108.670 108.800 -0.606 0.000 2.642 137 G HA2 0.456 4.417 3.960 0.002 0.000 0.293 137 G HA3 0.456 4.417 3.960 0.002 0.000 0.293 137 G C -1.796 172.688 174.900 -0.694 0.000 1.341 137 G CA -0.729 43.684 45.100 -1.145 0.000 0.916 137 G HN 0.394 nan 8.290 nan 0.000 0.474 138 Q N 0.069 119.624 119.800 -0.409 0.000 2.286 138 Q HA 0.563 4.904 4.340 0.002 0.000 0.267 138 Q C 0.749 176.853 176.000 0.172 0.000 1.028 138 Q CA 0.665 56.249 55.803 -0.364 0.000 0.901 138 Q CB 1.271 29.770 28.738 -0.397 0.000 1.183 138 Q HN 0.639 nan 8.270 nan 0.000 0.392 139 A N 3.414 126.277 122.820 0.072 0.000 2.085 139 A HA 0.367 4.688 4.320 0.002 0.000 0.208 139 A C 1.334 178.889 177.584 -0.050 0.000 1.191 139 A CA 0.492 52.570 52.037 0.069 0.000 0.799 139 A CB -0.496 18.506 19.000 0.002 0.000 0.877 139 A HN 1.236 nan 8.150 nan 0.000 0.473 140 G N -0.075 108.677 108.800 -0.080 0.000 2.379 140 G HA2 -0.360 3.601 3.960 0.002 0.000 0.297 140 G HA3 -0.360 3.601 3.960 0.002 0.000 0.297 140 G C 0.703 175.521 174.900 -0.136 0.000 1.004 140 G CA 1.076 46.112 45.100 -0.107 0.000 0.921 140 G HN 0.869 nan 8.290 nan 0.000 0.511 141 H N -1.568 117.339 119.070 -0.272 0.000 2.639 141 H HA 0.477 5.034 4.556 0.002 0.000 0.267 141 H C 0.410 175.511 175.328 -0.378 0.000 0.958 141 H CA 1.141 56.969 56.048 -0.367 0.000 1.221 141 H CB 0.437 29.888 29.762 -0.519 0.000 1.446 141 H HN 0.494 nan 8.280 nan 0.000 0.512 142 L N 0.985 121.939 121.223 -0.448 0.000 2.582 142 L HA 0.393 4.734 4.340 0.002 0.000 0.257 142 L C -2.787 173.877 176.870 -0.343 0.000 0.974 142 L CA -1.919 52.637 54.840 -0.474 0.000 0.851 142 L CB 2.166 43.895 42.059 -0.549 0.000 1.424 142 L HN -0.175 nan 8.230 nan 0.000 0.412 143 P HA 0.239 nan 4.420 nan 0.000 0.250 143 P C 0.468 177.447 177.300 -0.534 0.000 1.161 143 P CA 1.496 64.273 63.100 -0.540 0.000 0.863 143 P CB 0.095 31.337 31.700 -0.763 0.000 0.827 144 G N 2.209 110.782 108.800 -0.379 0.000 2.141 144 G HA2 -0.213 3.748 3.960 0.002 0.000 0.231 144 G HA3 -0.213 3.748 3.960 0.002 0.000 0.231 144 G C 0.257 175.004 174.900 -0.256 0.000 0.984 144 G CA 0.071 44.915 45.100 -0.426 0.000 0.660 144 G HN 0.688 nan 8.290 nan 0.000 0.525 145 S N -0.369 115.251 115.700 -0.135 0.000 2.565 145 S HA 0.893 5.364 4.470 0.002 0.000 0.274 145 S C 0.340 174.910 174.600 -0.050 0.000 1.309 145 S CA 0.683 58.823 58.200 -0.099 0.000 1.043 145 S CB 2.369 65.525 63.200 -0.073 0.000 0.939 145 S HN 1.966 nan 8.310 nan 0.000 0.504 146 A N 1.798 124.508 122.820 -0.184 0.000 2.530 146 A HA 0.912 5.233 4.320 0.002 0.000 0.288 146 A C -0.804 176.740 177.584 -0.066 0.000 1.172 146 A CA -1.139 50.797 52.037 -0.169 0.000 0.733 146 A CB 0.918 19.561 19.000 -0.596 0.000 1.320 146 A HN 1.322 nan 8.150 nan 0.000 0.419 147 F N -1.421 118.501 119.950 -0.046 0.000 2.611 147 F HA 0.845 5.373 4.527 0.002 0.000 0.324 147 F C -0.872 175.011 175.800 0.139 0.000 1.061 147 F CA -1.281 56.690 58.000 -0.048 0.000 0.954 147 F CB 1.362 40.401 39.000 0.065 0.000 1.301 147 F HN 0.312 nan 8.300 nan 0.000 0.482 148 V N 2.496 122.615 119.914 0.341 0.000 2.513 148 V HA 0.576 4.698 4.120 0.002 0.000 0.299 148 V C -0.703 175.556 176.094 0.275 0.000 1.035 148 V CA -0.829 61.626 62.300 0.258 0.000 0.889 148 V CB 1.708 33.698 31.823 0.279 0.000 0.988 148 V HN 0.749 nan 8.190 nan 0.000 0.440 149 V N 3.978 123.957 119.914 0.108 0.000 2.409 149 V HA 0.845 4.966 4.120 0.002 0.000 0.291 149 V C 0.139 176.291 176.094 0.098 0.000 1.020 149 V CA -0.380 62.000 62.300 0.133 0.000 0.848 149 V CB 1.592 33.464 31.823 0.082 0.000 0.990 149 V HN 1.002 nan 8.190 nan 0.000 0.430 150 A N 4.474 127.372 122.820 0.130 0.000 2.371 150 A HA 0.866 5.188 4.320 0.002 0.000 0.311 150 A C -0.898 176.755 177.584 0.114 0.000 1.068 150 A CA -0.592 51.510 52.037 0.109 0.000 0.744 150 A CB 2.008 21.051 19.000 0.071 0.000 1.239 150 A HN 0.607 nan 8.150 nan 0.000 0.435 151 Q N 1.451 121.316 119.800 0.108 0.000 2.263 151 Q HA 0.597 4.938 4.340 0.002 0.000 0.266 151 Q C -0.872 175.141 176.000 0.022 0.000 1.002 151 Q CA -0.175 55.667 55.803 0.065 0.000 0.790 151 Q CB 1.928 30.707 28.738 0.069 0.000 1.272 151 Q HN 1.370 nan 8.270 nan 0.000 0.435 152 G N 1.729 110.534 108.800 0.008 0.000 2.673 152 G HA2 0.429 4.391 3.960 0.002 0.000 0.292 152 G HA3 0.429 4.391 3.960 0.002 0.000 0.292 152 G C -1.177 173.718 174.900 -0.009 0.000 1.450 152 G CA -0.666 44.430 45.100 -0.007 0.000 0.837 152 G HN 0.641 nan 8.290 nan 0.000 0.505 153 E N -0.681 119.510 120.200 -0.015 0.000 2.183 153 E HA -0.183 4.169 4.350 0.002 0.000 0.196 153 E C 1.418 178.011 176.600 -0.012 0.000 1.364 153 E CA 1.212 57.603 56.400 -0.014 0.000 0.700 153 E CB -1.210 28.484 29.700 -0.010 0.000 1.106 153 E HN 2.208 nan 8.360 nan 0.000 0.347 154 G N 0.074 108.863 108.800 -0.017 0.000 2.309 154 G HA2 -0.388 3.573 3.960 0.002 0.000 0.286 154 G HA3 -0.388 3.573 3.960 0.002 0.000 0.286 154 G C 0.077 174.972 174.900 -0.008 0.000 1.002 154 G CA 0.994 46.084 45.100 -0.016 0.000 0.786 154 G HN 0.244 nan 8.290 nan 0.000 0.511 155 R N -0.944 119.555 120.500 -0.002 0.000 2.854 155 R HA 0.770 5.111 4.340 0.002 0.000 0.271 155 R C -0.647 175.664 176.300 0.019 0.000 0.994 155 R CA -0.534 55.570 56.100 0.007 0.000 0.945 155 R CB 1.315 31.619 30.300 0.007 0.000 1.194 155 R HN 0.100 nan 8.270 nan 0.000 0.476 156 T N 1.760 116.332 114.554 0.028 0.000 2.881 156 T HA 0.504 4.855 4.350 0.002 0.000 0.290 156 T C -0.983 173.752 174.700 0.058 0.000 1.000 156 T CA -0.606 61.523 62.100 0.049 0.000 0.978 156 T CB 1.529 70.428 68.868 0.052 0.000 0.997 156 T HN 0.365 nan 8.240 nan 0.000 0.443 157 L N 3.594 124.865 121.223 0.079 0.000 2.362 157 L HA 0.910 5.251 4.340 0.002 0.000 0.271 157 L C -1.560 175.395 176.870 0.143 0.000 1.002 157 L CA -0.652 54.244 54.840 0.093 0.000 0.818 157 L CB 1.917 44.022 42.059 0.077 0.000 1.298 157 L HN 0.459 nan 8.230 nan 0.000 0.420 158 V N 5.087 125.106 119.914 0.176 0.000 2.482 158 V HA 0.313 4.434 4.120 0.002 0.000 0.295 158 V C -1.239 175.060 176.094 0.343 0.000 1.026 158 V CA -0.437 62.024 62.300 0.268 0.000 0.856 158 V CB 1.387 33.345 31.823 0.225 0.000 1.001 158 V HN 0.747 nan 8.190 nan 0.000 0.424 159 Y N 4.530 124.959 120.300 0.215 0.000 2.434 159 Y HA 0.281 4.832 4.550 0.002 0.000 0.341 159 Y C 1.674 177.684 175.900 0.182 0.000 0.965 159 Y CA 0.024 58.196 58.100 0.119 0.000 1.205 159 Y CB 1.759 40.233 38.460 0.023 0.000 1.121 159 Y HN 0.830 nan 8.280 nan 0.000 0.507 160 S N 4.435 120.158 115.700 0.038 0.000 2.380 160 S HA -0.066 4.405 4.470 0.002 0.000 0.229 160 S C 1.304 175.565 174.600 -0.565 0.000 1.043 160 S CA 1.384 59.350 58.200 -0.391 0.000 1.038 160 S CB -1.046 61.771 63.200 -0.638 0.000 0.872 160 S HN 1.562 nan 8.310 nan 0.000 0.456 161 G N 1.175 109.423 108.800 -0.920 0.000 2.562 161 G HA2 -0.195 3.766 3.960 0.002 0.000 0.250 161 G HA3 -0.195 3.766 3.960 0.002 0.000 0.250 161 G C -1.142 173.482 174.900 -0.459 0.000 1.269 161 G CA 0.119 44.782 45.100 -0.729 0.000 0.919 161 G HN 0.566 nan 8.290 nan 0.000 0.574 162 D N 0.677 120.801 120.400 -0.460 0.000 2.329 162 D HA 0.576 5.217 4.640 0.002 0.000 0.232 162 D C 0.307 176.170 176.300 -0.728 0.000 1.088 162 D CA -0.331 53.200 54.000 -0.781 0.000 0.835 162 D CB 1.277 41.221 40.800 -1.428 0.000 1.078 162 D HN 0.382 nan 8.370 nan 0.000 0.495 163 L N 1.615 122.451 121.223 -0.646 0.000 2.395 163 L HA 0.468 4.810 4.340 0.002 0.000 0.269 163 L C 1.401 178.076 176.870 -0.325 0.000 1.133 163 L CA -0.230 54.306 54.840 -0.506 0.000 0.812 163 L CB 0.933 42.611 42.059 -0.634 0.000 1.125 163 L HN 0.326 nan 8.230 nan 0.000 0.452 164 G N 0.548 109.234 108.800 -0.190 0.000 2.462 164 G HA2 0.199 4.160 3.960 0.002 0.000 0.319 164 G HA3 0.199 4.160 3.960 0.002 0.000 0.319 164 G C -0.305 174.522 174.900 -0.122 0.000 1.171 164 G CA -0.618 44.403 45.100 -0.132 0.000 0.920 164 G HN 0.714 nan 8.290 nan 0.000 0.499 165 N N 0.321 118.946 118.700 -0.125 0.000 2.663 165 N HA 0.029 4.770 4.740 0.002 0.000 0.250 165 N C 2.039 177.484 175.510 -0.109 0.000 1.129 165 N CA -0.471 52.517 53.050 -0.103 0.000 0.995 165 N CB 0.222 38.609 38.487 -0.166 0.000 1.324 165 N HN 0.623 nan 8.380 nan 0.000 0.512 166 R N 2.160 122.615 120.500 -0.075 0.000 2.204 166 R HA -0.202 4.139 4.340 0.002 0.000 0.253 166 R C 0.202 176.439 176.300 -0.105 0.000 1.172 166 R CA 1.383 57.439 56.100 -0.074 0.000 0.994 166 R CB -0.351 29.931 30.300 -0.031 0.000 0.874 166 R HN 0.568 nan 8.270 nan 0.000 0.462 167 E N 1.162 121.301 120.200 -0.101 0.000 2.428 167 E HA 0.024 4.375 4.350 0.002 0.000 0.199 167 E C -0.414 175.896 176.600 -0.482 0.000 1.172 167 E CA 0.417 56.736 56.400 -0.134 0.000 0.941 167 E CB 0.125 29.834 29.700 0.015 0.000 1.001 167 E HN 0.374 nan 8.360 nan 0.000 0.501 168 K N 0.400 120.520 120.400 -0.466 0.000 2.328 168 K HA 0.226 4.547 4.320 0.002 0.000 0.246 168 K C -0.448 175.946 176.600 -0.344 0.000 0.955 168 K CA -0.666 55.206 56.287 -0.693 0.000 0.817 168 K CB 1.500 33.751 32.500 -0.415 0.000 1.208 168 K HN -0.091 nan 8.250 nan 0.000 0.432 169 D N 2.321 122.576 120.400 -0.241 0.000 2.881 169 D HA 0.069 4.710 4.640 0.002 0.000 0.240 169 D C 0.478 176.713 176.300 -0.109 0.000 1.249 169 D CA 0.380 54.362 54.000 -0.030 0.000 0.839 169 D CB 0.486 41.421 40.800 0.225 0.000 1.042 169 D HN 0.143 nan 8.370 nan 0.000 0.475 170 V N -1.013 118.836 119.914 -0.108 0.000 3.245 170 V HA 0.088 4.209 4.120 0.002 0.000 0.246 170 V C 0.071 176.212 176.094 0.077 0.000 1.487 170 V CA 0.154 62.406 62.300 -0.079 0.000 1.154 170 V CB 1.073 32.899 31.823 0.005 0.000 0.971 170 V HN 0.102 nan 8.190 nan 0.000 0.443 171 L N 2.316 123.540 121.223 0.001 0.000 2.354 171 L HA 0.627 4.968 4.340 0.002 0.000 0.269 171 L C -2.522 174.325 176.870 -0.039 0.000 1.005 171 L CA -2.048 52.786 54.840 -0.009 0.000 0.819 171 L CB 1.138 43.148 42.059 -0.082 0.000 1.311 171 L HN 0.027 nan 8.230 nan 0.000 0.423 172 P HA 0.033 nan 4.420 nan 0.000 0.271 172 P C -0.671 176.593 177.300 -0.059 0.000 1.238 172 P CA -0.326 62.747 63.100 -0.046 0.000 0.794 172 P CB 0.833 32.498 31.700 -0.058 0.000 0.959 173 D N 0.848 121.220 120.400 -0.047 0.000 2.362 173 D HA 0.208 4.849 4.640 0.002 0.000 0.242 173 D C -2.014 174.270 176.300 -0.027 0.000 1.132 173 D CA -0.819 53.160 54.000 -0.035 0.000 0.907 173 D CB -0.492 40.297 40.800 -0.018 0.000 1.195 173 D HN 0.222 nan 8.370 nan 0.000 0.429 174 P HA 0.071 nan 4.420 nan 0.000 0.274 174 P C -0.445 176.919 177.300 0.106 0.000 1.231 174 P CA -0.302 62.835 63.100 0.062 0.000 0.790 174 P CB 0.722 32.466 31.700 0.072 0.000 0.951 175 S N 2.021 117.832 115.700 0.184 0.000 2.578 175 S HA 0.388 4.859 4.470 0.002 0.000 0.283 175 S C -0.134 174.498 174.600 0.053 0.000 1.195 175 S CA -0.741 57.541 58.200 0.137 0.000 1.050 175 S CB -0.101 63.196 63.200 0.162 0.000 1.012 175 S HN 0.232 nan 8.310 nan 0.000 0.511 176 L N 4.952 126.106 121.223 -0.115 0.000 2.439 176 L HA 0.362 4.703 4.340 0.002 0.000 0.269 176 L C -1.607 174.994 176.870 -0.450 0.000 1.179 176 L CA -1.594 52.993 54.840 -0.423 0.000 0.828 176 L CB 0.302 42.190 42.059 -0.286 0.000 1.106 176 L HN 0.609 nan 8.230 nan 0.000 0.467 177 P HA 0.289 nan 4.420 nan 0.000 0.279 177 P C -2.611 174.523 177.300 -0.277 0.000 1.252 177 P CA -1.443 61.292 63.100 -0.608 0.000 0.811 177 P CB 0.378 31.340 31.700 -1.229 0.000 1.035 178 P HA 0.141 nan 4.420 nan 0.000 0.275 178 P C -0.372 176.888 177.300 -0.067 0.000 1.266 178 P CA -0.421 62.664 63.100 -0.025 0.000 0.793 178 P CB 0.432 32.172 31.700 0.066 0.000 1.074 179 L N 0.455 121.654 121.223 -0.041 0.000 2.360 179 L HA 0.500 4.841 4.340 0.002 0.000 0.276 179 L C -0.305 176.557 176.870 -0.013 0.000 1.121 179 L CA 0.017 54.831 54.840 -0.043 0.000 0.845 179 L CB -0.481 41.559 42.059 -0.031 0.000 1.143 179 L HN 0.569 nan 8.230 nan 0.000 0.452 180 A N 3.631 126.443 122.820 -0.013 0.000 2.469 180 A HA 0.575 4.896 4.320 0.002 0.000 0.299 180 A C 0.246 177.839 177.584 0.016 0.000 1.098 180 A CA -0.429 51.618 52.037 0.016 0.000 0.737 180 A CB 0.903 19.928 19.000 0.040 0.000 1.312 180 A HN 0.757 nan 8.150 nan 0.000 0.414 181 D N -0.336 120.078 120.400 0.023 0.000 2.103 181 D HA 0.113 4.754 4.640 0.002 0.000 0.199 181 D C 0.376 176.693 176.300 0.028 0.000 0.978 181 D CA 1.324 55.336 54.000 0.020 0.000 0.829 181 D CB 0.017 40.828 40.800 0.018 0.000 0.981 181 D HN 0.296 nan 8.370 nan 0.000 0.464 182 L N -0.112 121.135 121.223 0.040 0.000 2.341 182 L HA 0.573 4.914 4.340 0.002 0.000 0.267 182 L C -1.502 175.415 176.870 0.079 0.000 1.009 182 L CA -0.918 53.952 54.840 0.050 0.000 0.819 182 L CB 2.358 44.441 42.059 0.041 0.000 1.323 182 L HN -0.206 nan 8.230 nan 0.000 0.425 183 V N 5.606 125.577 119.914 0.096 0.000 2.509 183 V HA 0.297 4.418 4.120 0.002 0.000 0.289 183 V C -0.245 175.941 176.094 0.153 0.000 1.026 183 V CA -0.433 61.958 62.300 0.151 0.000 0.872 183 V CB 1.504 33.429 31.823 0.169 0.000 1.017 183 V HN 0.604 nan 8.190 nan 0.000 0.436 184 L N 4.843 126.166 121.223 0.168 0.000 2.415 184 L HA 0.494 4.835 4.340 0.002 0.000 0.269 184 L C 1.017 178.002 176.870 0.191 0.000 1.244 184 L CA 0.179 55.105 54.840 0.145 0.000 1.113 184 L CB 0.396 42.477 42.059 0.036 0.000 1.352 184 L HN 0.806 nan 8.230 nan 0.000 0.433 185 A N 3.179 126.078 122.820 0.132 0.000 2.304 185 A HA 0.447 4.768 4.320 0.002 0.000 0.271 185 A C 0.171 177.783 177.584 0.045 0.000 1.091 185 A CA -0.585 51.479 52.037 0.046 0.000 0.812 185 A CB 0.547 19.578 19.000 0.052 0.000 1.056 185 A HN 0.708 nan 8.150 nan 0.000 0.489 186 E N -0.229 119.941 120.200 -0.051 0.000 2.312 186 E HA 0.592 4.943 4.350 0.002 0.000 0.259 186 E C 0.440 177.062 176.600 0.036 0.000 1.122 186 E CA -0.303 56.103 56.400 0.010 0.000 0.922 186 E CB 1.037 30.641 29.700 -0.160 0.000 1.109 186 E HN 0.559 nan 8.360 nan 0.000 0.442 187 G N 0.681 109.548 108.800 0.112 0.000 4.000 187 G HA2 0.068 4.030 3.960 0.002 0.000 0.260 187 G HA3 0.068 4.030 3.960 0.002 0.000 0.260 187 G C -0.113 174.857 174.900 0.116 0.000 1.047 187 G CA -0.164 44.991 45.100 0.093 0.000 0.860 187 G HN 0.519 nan 8.290 nan 0.000 0.464 188 T N 0.713 115.375 114.554 0.181 0.000 2.908 188 T HA 0.058 4.409 4.350 0.002 0.000 0.325 188 T C 0.590 175.446 174.700 0.260 0.000 1.092 188 T CA 0.312 62.531 62.100 0.199 0.000 1.125 188 T CB 0.313 69.286 68.868 0.174 0.000 1.016 188 T HN 0.425 nan 8.240 nan 0.000 0.550 189 Y N -1.259 118.963 120.300 -0.131 0.000 3.769 189 Y HA -0.212 4.340 4.550 0.002 0.000 0.214 189 Y C 1.643 177.458 175.900 -0.141 0.000 1.142 189 Y CA 0.717 58.701 58.100 -0.193 0.000 1.543 189 Y CB -2.167 36.102 38.460 -0.318 0.000 1.467 189 Y HN 0.924 nan 8.280 nan 0.000 0.620 190 G N -0.344 108.497 108.800 0.068 0.000 3.383 190 G HA2 0.176 4.137 3.960 0.002 0.000 0.251 190 G HA3 0.176 4.137 3.960 0.002 0.000 0.251 190 G C 0.899 175.811 174.900 0.021 0.000 1.203 190 G CA 0.494 45.617 45.100 0.038 0.000 0.852 190 G HN 0.525 nan 8.290 nan 0.000 0.531 191 D N -0.397 120.008 120.400 0.008 0.000 2.455 191 D HA 0.083 4.724 4.640 0.002 0.000 0.228 191 D C 0.948 177.252 176.300 0.005 0.000 1.070 191 D CA -0.073 53.931 54.000 0.006 0.000 0.881 191 D CB 0.234 41.034 40.800 -0.001 0.000 1.087 191 D HN 0.414 nan 8.370 nan 0.000 0.498 192 R N 0.113 120.608 120.500 -0.007 0.000 2.515 192 R HA 0.510 4.851 4.340 0.002 0.000 0.278 192 R C -3.015 173.263 176.300 -0.035 0.000 1.107 192 R CA -1.557 54.543 56.100 0.000 0.000 0.945 192 R CB 0.948 31.263 30.300 0.025 0.000 1.219 192 R HN -0.208 nan 8.270 nan 0.000 0.434 193 P HA -0.082 nan 4.420 nan 0.000 0.269 193 P C -0.650 176.658 177.300 0.013 0.000 1.211 193 P CA 0.129 63.225 63.100 -0.007 0.000 0.781 193 P CB 0.476 32.205 31.700 0.049 0.000 0.877 194 H N 0.957 120.095 119.070 0.113 0.000 2.551 194 H HA 0.166 4.723 4.556 0.002 0.000 0.358 194 H C 0.787 176.211 175.328 0.160 0.000 1.151 194 H CA -0.004 56.138 56.048 0.156 0.000 1.374 194 H CB 0.703 30.546 29.762 0.135 0.000 1.473 194 H HN 0.348 nan 8.280 nan 0.000 0.574 195 R N 3.546 124.259 120.500 0.356 0.000 2.291 195 R HA 0.119 4.460 4.340 0.002 0.000 0.333 195 R C -2.442 173.973 176.300 0.192 0.000 1.082 195 R CA -1.430 54.808 56.100 0.230 0.000 0.948 195 R CB -0.259 30.167 30.300 0.210 0.000 1.009 195 R HN 0.336 nan 8.270 nan 0.000 0.460 196 P HA -0.231 nan 4.420 nan 0.000 0.251 196 P C -0.165 177.215 177.300 0.134 0.000 1.105 196 P CA 0.842 64.029 63.100 0.146 0.000 0.775 196 P CB -0.042 31.722 31.700 0.106 0.000 0.689 197 Y N 7.189 127.508 120.300 0.031 0.000 1.997 197 Y HA -0.436 4.115 4.550 0.002 0.000 0.265 197 Y C 2.406 178.265 175.900 -0.069 0.000 1.193 197 Y CA 2.446 60.534 58.100 -0.020 0.000 1.106 197 Y CB -0.316 38.155 38.460 0.018 0.000 0.940 197 Y HN 0.329 nan 8.280 nan 0.000 0.494 198 R N 0.850 121.342 120.500 -0.012 0.000 2.179 198 R HA -0.303 4.038 4.340 0.002 0.000 0.238 198 R C 1.710 177.888 176.300 -0.203 0.000 1.119 198 R CA 2.425 58.456 56.100 -0.116 0.000 0.915 198 R CB -1.687 28.646 30.300 0.055 0.000 0.870 198 R HN 0.591 nan 8.270 nan 0.000 0.432 199 E N 0.481 120.621 120.200 -0.100 0.000 2.147 199 E HA -0.164 4.187 4.350 0.002 0.000 0.199 199 E C 2.019 178.526 176.600 -0.156 0.000 1.005 199 E CA 2.407 58.753 56.400 -0.089 0.000 0.810 199 E CB -0.372 29.308 29.700 -0.033 0.000 0.736 199 E HN 0.641 nan 8.360 nan 0.000 0.460 200 T N 0.290 114.699 114.554 -0.241 0.000 2.833 200 T HA -0.106 4.245 4.350 0.002 0.000 0.269 200 T C 2.029 176.458 174.700 -0.451 0.000 1.054 200 T CA 1.188 63.089 62.100 -0.331 0.000 1.135 200 T CB -0.151 68.445 68.868 -0.452 0.000 0.869 200 T HN 0.017 nan 8.240 nan 0.000 0.466 201 V N 1.014 120.578 119.914 -0.584 0.000 2.667 201 V HA -0.031 4.091 4.120 0.002 0.000 0.252 201 V C 2.583 178.541 176.094 -0.227 0.000 1.065 201 V CA 1.144 63.122 62.300 -0.537 0.000 1.083 201 V CB -0.620 30.803 31.823 -0.667 0.000 0.692 201 V HN 0.192 nan 8.190 nan 0.000 0.468 202 R N 0.970 121.370 120.500 -0.167 0.000 2.075 202 R HA -0.161 4.180 4.340 0.002 0.000 0.230 202 R C 2.413 178.680 176.300 -0.055 0.000 1.140 202 R CA 2.142 58.200 56.100 -0.071 0.000 0.928 202 R CB -0.653 29.613 30.300 -0.057 0.000 0.834 202 R HN 0.627 nan 8.270 nan 0.000 0.429 203 E N -0.945 119.210 120.200 -0.076 0.000 2.118 203 E HA -0.240 4.111 4.350 0.002 0.000 0.195 203 E C 1.753 178.318 176.600 -0.059 0.000 0.992 203 E CA 1.331 57.679 56.400 -0.086 0.000 0.804 203 E CB -0.265 29.369 29.700 -0.110 0.000 0.741 203 E HN 0.368 nan 8.360 nan 0.000 0.458 204 F N 0.851 120.704 119.950 -0.162 0.000 2.250 204 F HA -0.159 4.370 4.527 0.002 0.000 0.301 204 F C 1.670 177.430 175.800 -0.067 0.000 1.077 204 F CA 1.179 59.115 58.000 -0.106 0.000 1.348 204 F CB 0.087 38.998 39.000 -0.149 0.000 1.040 204 F HN 0.030 nan 8.300 nan 0.000 0.509 205 L N -0.368 120.899 121.223 0.074 0.000 2.084 205 L HA -0.118 4.223 4.340 0.002 0.000 0.202 205 L C 2.366 179.207 176.870 -0.048 0.000 1.074 205 L CA 1.255 56.118 54.840 0.037 0.000 0.757 205 L CB -0.794 41.306 42.059 0.069 0.000 0.918 205 L HN 0.016 nan 8.230 nan 0.000 0.444 206 E N 0.513 120.679 120.200 -0.056 0.000 2.114 206 E HA -0.273 4.078 4.350 0.002 0.000 0.199 206 E C 2.189 178.731 176.600 -0.096 0.000 1.008 206 E CA 1.604 57.961 56.400 -0.071 0.000 0.810 206 E CB -0.218 29.435 29.700 -0.077 0.000 0.739 206 E HN 0.466 nan 8.360 nan 0.000 0.456 207 I N 0.943 121.430 120.570 -0.139 0.000 2.113 207 I HA -0.296 3.875 4.170 0.002 0.000 0.238 207 I C 2.494 178.525 176.117 -0.144 0.000 1.070 207 I CA 1.077 62.291 61.300 -0.143 0.000 1.332 207 I CB -0.337 37.556 38.000 -0.178 0.000 1.044 207 I HN 0.116 nan 8.210 nan 0.000 0.402 208 L N 0.385 121.482 121.223 -0.210 0.000 2.129 208 L HA -0.261 4.080 4.340 0.002 0.000 0.212 208 L C 2.570 179.388 176.870 -0.086 0.000 1.087 208 L CA 1.404 56.143 54.840 -0.167 0.000 0.757 208 L CB -0.475 41.477 42.059 -0.178 0.000 0.896 208 L HN 0.327 nan 8.230 nan 0.000 0.434 209 E N 0.758 120.915 120.200 -0.072 0.000 2.030 209 E HA -0.211 4.140 4.350 0.002 0.000 0.189 209 E C 2.087 178.660 176.600 -0.046 0.000 0.974 209 E CA 1.256 57.626 56.400 -0.049 0.000 0.807 209 E CB -0.140 29.534 29.700 -0.044 0.000 0.771 209 E HN 0.146 nan 8.360 nan 0.000 0.451 210 K N -0.666 119.704 120.400 -0.050 0.000 2.286 210 K HA -0.147 4.174 4.320 0.002 0.000 0.203 210 K C 1.416 177.995 176.600 -0.034 0.000 1.045 210 K CA 1.746 58.010 56.287 -0.039 0.000 0.935 210 K CB -0.077 32.400 32.500 -0.039 0.000 0.737 210 K HN 0.206 nan 8.250 nan 0.000 0.460 211 T N 0.835 115.363 114.554 -0.044 0.000 2.904 211 T HA 0.054 4.405 4.350 0.002 0.000 0.243 211 T C 1.661 176.340 174.700 -0.034 0.000 1.024 211 T CA 0.643 62.719 62.100 -0.040 0.000 1.158 211 T CB -0.025 68.810 68.868 -0.054 0.000 0.867 211 T HN 0.117 nan 8.240 nan 0.000 0.429 212 L N 1.473 122.674 121.223 -0.035 0.000 2.362 212 L HA 0.016 4.357 4.340 0.002 0.000 0.219 212 L C 2.733 179.590 176.870 -0.021 0.000 1.134 212 L CA 0.537 55.363 54.840 -0.024 0.000 0.807 212 L CB -0.512 41.536 42.059 -0.018 0.000 0.927 212 L HN 0.289 nan 8.230 nan 0.000 0.447 213 S N 0.600 116.285 115.700 -0.025 0.000 2.383 213 S HA -0.207 4.265 4.470 0.002 0.000 0.227 213 S C 1.711 176.299 174.600 -0.020 0.000 1.026 213 S CA 1.268 59.455 58.200 -0.023 0.000 0.981 213 S CB -0.018 63.167 63.200 -0.026 0.000 0.818 213 S HN 0.678 nan 8.310 nan 0.000 0.472 214 Q N -0.471 119.317 119.800 -0.020 0.000 2.212 214 Q HA 0.400 4.741 4.340 0.002 0.000 0.213 214 Q C 1.178 177.167 176.000 -0.018 0.000 0.874 214 Q CA 0.448 56.240 55.803 -0.018 0.000 0.965 214 Q CB -0.117 28.610 28.738 -0.018 0.000 1.074 214 Q HN 0.499 nan 8.270 nan 0.000 0.473 215 G N 0.358 109.148 108.800 -0.017 0.000 2.257 215 G HA2 -0.365 3.596 3.960 0.002 0.000 0.267 215 G HA3 -0.365 3.596 3.960 0.002 0.000 0.267 215 G C 0.598 175.486 174.900 -0.020 0.000 0.984 215 G CA 0.007 45.098 45.100 -0.015 0.000 0.626 215 G HN 0.787 nan 8.290 nan 0.000 0.540 216 G N -0.335 108.450 108.800 -0.024 0.000 2.794 216 G HA2 0.372 4.333 3.960 0.002 0.000 0.249 216 G HA3 0.372 4.333 3.960 0.002 0.000 0.249 216 G C 0.099 174.978 174.900 -0.034 0.000 1.236 216 G CA 0.399 45.481 45.100 -0.030 0.000 0.880 216 G HN 0.569 nan 8.290 nan 0.000 0.586 217 K N -0.908 119.467 120.400 -0.042 0.000 2.221 217 K HA 0.464 4.786 4.320 0.002 0.000 0.258 217 K C -0.996 175.574 176.600 -0.051 0.000 0.944 217 K CA -0.702 55.557 56.287 -0.047 0.000 0.823 217 K CB 2.621 35.081 32.500 -0.065 0.000 1.113 217 K HN 0.155 nan 8.250 nan 0.000 0.431 218 V N 4.969 124.855 119.914 -0.046 0.000 2.257 218 V HA 0.154 4.275 4.120 0.002 0.000 0.269 218 V C -0.168 175.906 176.094 -0.033 0.000 1.040 218 V CA -0.872 61.391 62.300 -0.062 0.000 0.813 218 V CB 0.409 32.174 31.823 -0.097 0.000 1.065 218 V HN 0.581 nan 8.190 nan 0.000 0.457 219 L N 5.517 126.717 121.223 -0.039 0.000 2.426 219 L HA 0.441 4.782 4.340 0.002 0.000 0.271 219 L C -0.003 176.861 176.870 -0.010 0.000 1.169 219 L CA 0.487 55.326 54.840 -0.003 0.000 0.836 219 L CB 0.863 42.915 42.059 -0.011 0.000 1.112 219 L HN 0.470 nan 8.230 nan 0.000 0.465 220 I N 4.864 125.461 120.570 0.045 0.000 2.448 220 I HA 0.234 4.405 4.170 0.002 0.000 0.281 220 I C -2.267 173.885 176.117 0.060 0.000 1.027 220 I CA -1.667 59.677 61.300 0.072 0.000 1.111 220 I CB 2.334 40.429 38.000 0.158 0.000 1.236 220 I HN 0.343 nan 8.210 nan 0.000 0.452 221 P HA 0.142 nan 4.420 nan 0.000 0.279 221 P C -0.510 176.804 177.300 0.023 0.000 1.318 221 P CA 0.099 63.219 63.100 0.034 0.000 0.819 221 P CB 0.546 32.323 31.700 0.128 0.000 0.927 222 T N 0.693 115.224 114.554 -0.039 0.000 2.916 222 T HA 0.579 4.930 4.350 0.002 0.000 0.292 222 T C -0.555 174.078 174.700 -0.113 0.000 1.055 222 T CA -0.730 61.356 62.100 -0.024 0.000 1.009 222 T CB 1.159 70.055 68.868 0.047 0.000 1.118 222 T HN 0.050 nan 8.240 nan 0.000 0.497 223 F N 0.974 120.963 119.950 0.066 0.000 2.410 223 F HA 0.537 5.065 4.527 0.002 0.000 0.349 223 F C 1.306 177.133 175.800 0.045 0.000 1.117 223 F CA -1.115 56.927 58.000 0.070 0.000 1.104 223 F CB 1.330 40.390 39.000 0.100 0.000 1.122 223 F HN 0.863 nan 8.300 nan 0.000 0.483 224 A N 3.765 126.760 122.820 0.292 0.000 2.223 224 A HA 0.206 4.527 4.320 0.002 0.000 0.222 224 A C 0.892 178.556 177.584 0.133 0.000 1.317 224 A CA 0.468 52.599 52.037 0.157 0.000 0.985 224 A CB -0.804 18.270 19.000 0.123 0.000 0.858 224 A HN 0.624 nan 8.150 nan 0.000 0.496 225 V N -1.908 118.100 119.914 0.156 0.000 3.359 225 V HA 0.153 4.274 4.120 0.002 0.000 0.245 225 V C 1.683 177.807 176.094 0.050 0.000 1.247 225 V CA 1.129 63.488 62.300 0.099 0.000 1.145 225 V CB 0.473 32.370 31.823 0.122 0.000 0.906 225 V HN 0.597 nan 8.190 nan 0.000 0.464 226 E N -0.232 119.992 120.200 0.040 0.000 2.895 226 E HA 0.025 4.376 4.350 0.002 0.000 0.254 226 E C 1.958 178.540 176.600 -0.030 0.000 1.139 226 E CA 0.270 56.671 56.400 0.002 0.000 1.832 226 E CB 0.198 29.861 29.700 -0.061 0.000 2.683 226 E HN 0.145 nan 8.360 nan 0.000 1.040 227 R N 1.844 122.354 120.500 0.017 0.000 2.119 227 R HA -0.022 4.320 4.340 0.002 0.000 0.246 227 R C 2.075 178.360 176.300 -0.024 0.000 1.146 227 R CA 2.406 58.501 56.100 -0.009 0.000 0.962 227 R CB -0.896 29.454 30.300 0.083 0.000 0.863 227 R HN 0.199 nan 8.270 nan 0.000 0.442 228 A N 0.206 123.031 122.820 0.008 0.000 1.972 228 A HA -0.178 4.143 4.320 0.002 0.000 0.219 228 A C 1.862 179.414 177.584 -0.053 0.000 1.169 228 A CA 1.528 53.564 52.037 -0.001 0.000 0.635 228 A CB -0.373 18.634 19.000 0.011 0.000 0.810 228 A HN 0.461 nan 8.150 nan 0.000 0.446 229 Q N -0.294 119.402 119.800 -0.174 0.000 2.096 229 Q HA -0.127 4.214 4.340 0.002 0.000 0.197 229 Q C 1.780 177.743 176.000 -0.063 0.000 0.964 229 Q CA 1.417 57.020 55.803 -0.333 0.000 0.838 229 Q CB -0.686 27.463 28.738 -0.982 0.000 0.906 229 Q HN 0.868 nan 8.270 nan 0.000 0.444 230 E N 0.475 120.663 120.200 -0.019 0.000 2.209 230 E HA -0.152 4.200 4.350 0.002 0.000 0.196 230 E C 1.781 178.482 176.600 0.168 0.000 0.993 230 E CA 0.582 57.051 56.400 0.116 0.000 0.819 230 E CB 0.169 29.874 29.700 0.009 0.000 0.745 230 E HN 0.171 nan 8.360 nan 0.000 0.477 231 I N 0.829 121.443 120.570 0.074 0.000 2.233 231 I HA -0.216 3.955 4.170 0.002 0.000 0.243 231 I C 2.133 178.356 176.117 0.177 0.000 1.093 231 I CA 1.008 62.352 61.300 0.074 0.000 1.380 231 I CB -0.877 37.170 38.000 0.079 0.000 1.067 231 I HN 0.252 nan 8.210 nan 0.000 0.413 232 L N -0.737 120.605 121.223 0.198 0.000 2.642 232 L HA -0.206 4.135 4.340 0.002 0.000 0.236 232 L C 2.168 179.244 176.870 0.344 0.000 1.169 232 L CA 0.747 55.731 54.840 0.240 0.000 0.851 232 L CB -0.701 41.472 42.059 0.190 0.000 0.968 232 L HN 0.262 nan 8.230 nan 0.000 0.453 233 Y N -0.567 119.877 120.300 0.239 0.000 2.422 233 Y HA 0.030 4.581 4.550 0.002 0.000 0.291 233 Y C 2.114 178.144 175.900 0.216 0.000 1.144 233 Y CA 0.492 58.714 58.100 0.203 0.000 1.208 233 Y CB 0.224 38.820 38.460 0.226 0.000 1.195 233 Y HN -0.153 nan 8.280 nan 0.000 0.535 234 V N 0.871 120.932 119.914 0.246 0.000 3.383 234 V HA -0.185 3.936 4.120 0.002 0.000 0.272 234 V C 1.593 177.749 176.094 0.103 0.000 1.181 234 V CA 1.047 63.401 62.300 0.090 0.000 1.171 234 V CB -0.722 31.087 31.823 -0.023 0.000 0.800 234 V HN 0.315 nan 8.190 nan 0.000 0.515 235 L N -1.637 119.685 121.223 0.165 0.000 2.262 235 L HA 0.128 4.469 4.340 0.002 0.000 0.197 235 L C 2.097 179.056 176.870 0.148 0.000 1.073 235 L CA 1.418 56.371 54.840 0.189 0.000 0.800 235 L CB -0.912 41.271 42.059 0.208 0.000 0.987 235 L HN 0.315 nan 8.230 nan 0.000 0.470 236 Y N 0.656 120.946 120.300 -0.016 0.000 2.036 236 Y HA -0.199 4.352 4.550 0.002 0.000 0.273 236 Y C 0.894 176.727 175.900 -0.111 0.000 1.135 236 Y CA 1.595 59.639 58.100 -0.093 0.000 1.106 236 Y CB -0.478 37.871 38.460 -0.186 0.000 0.976 236 Y HN 0.006 nan 8.280 nan 0.000 0.483 237 T N 1.317 115.899 114.554 0.047 0.000 2.779 237 T HA 0.170 4.521 4.350 0.002 0.000 0.296 237 T C -0.868 174.015 174.700 0.305 0.000 0.938 237 T CA 0.800 62.918 62.100 0.030 0.000 1.119 237 T CB -0.005 68.843 68.868 -0.032 0.000 0.891 237 T HN 0.638 nan 8.240 nan 0.000 0.526 238 H N 0.444 119.531 119.070 0.027 0.000 3.615 238 H HA -0.125 4.432 4.556 0.002 0.000 0.166 238 H C 1.598 176.994 175.328 0.112 0.000 0.882 238 H CA 0.803 56.929 56.048 0.130 0.000 1.228 238 H CB -1.483 28.333 29.762 0.090 0.000 0.936 238 H HN 0.738 nan 8.280 nan 0.000 0.421 239 G N 0.425 109.313 108.800 0.146 0.000 2.985 239 G HA2 -0.120 3.841 3.960 0.002 0.000 0.209 239 G HA3 -0.120 3.841 3.960 0.002 0.000 0.209 239 G C 1.074 175.994 174.900 0.035 0.000 1.165 239 G CA 0.578 45.713 45.100 0.058 0.000 0.776 239 G HN 0.712 nan 8.290 nan 0.000 0.541 240 H N 0.150 119.162 119.070 -0.095 0.000 2.555 240 H HA 0.175 4.732 4.556 0.002 0.000 0.283 240 H C 1.134 176.426 175.328 -0.060 0.000 1.037 240 H CA -0.035 55.954 56.048 -0.098 0.000 1.169 240 H CB -0.077 29.609 29.762 -0.126 0.000 1.375 240 H HN 0.547 nan 8.280 nan 0.000 0.582 241 R N -0.153 120.163 120.500 -0.307 0.000 2.563 241 R HA 0.395 4.736 4.340 0.002 0.000 0.443 241 R C -1.187 175.040 176.300 -0.123 0.000 0.956 241 R CA -0.302 55.616 56.100 -0.304 0.000 1.141 241 R CB 0.007 30.086 30.300 -0.368 0.000 1.553 241 R HN 0.075 nan 8.270 nan 0.000 0.577 242 L N 1.905 123.085 121.223 -0.072 0.000 2.422 242 L HA 0.601 4.942 4.340 0.002 0.000 0.264 242 L C -2.262 174.590 176.870 -0.029 0.000 0.984 242 L CA -2.441 52.379 54.840 -0.034 0.000 0.819 242 L CB 2.681 44.741 42.059 0.003 0.000 1.330 242 L HN 0.027 nan 8.230 nan 0.000 0.410 243 P HA 0.095 nan 4.420 nan 0.000 0.265 243 P C -0.713 176.583 177.300 -0.008 0.000 1.222 243 P CA -0.289 62.800 63.100 -0.019 0.000 0.767 243 P CB 0.378 32.066 31.700 -0.019 0.000 0.801 244 R N 2.531 123.026 120.500 -0.008 0.000 2.486 244 R HA 0.283 4.624 4.340 0.002 0.000 0.304 244 R C 0.284 176.590 176.300 0.010 0.000 0.913 244 R CA 0.489 56.589 56.100 -0.002 0.000 1.124 244 R CB -0.147 30.150 30.300 -0.006 0.000 0.891 244 R HN 0.585 nan 8.270 nan 0.000 0.410 245 A N 5.467 128.300 122.820 0.022 0.000 2.550 245 A HA 0.301 4.622 4.320 0.002 0.000 0.282 245 A C -2.462 175.158 177.584 0.061 0.000 1.071 245 A CA -1.620 50.444 52.037 0.046 0.000 0.838 245 A CB 0.986 20.012 19.000 0.044 0.000 1.361 245 A HN 0.517 nan 8.150 nan 0.000 0.408 246 P HA -0.061 nan 4.420 nan 0.000 0.249 246 P C -0.371 176.936 177.300 0.012 0.000 1.140 246 P CA 0.905 63.993 63.100 -0.021 0.000 0.803 246 P CB -0.056 31.655 31.700 0.019 0.000 0.745 247 I N 5.001 125.541 120.570 -0.051 0.000 2.363 247 I HA 0.090 4.261 4.170 0.002 0.000 0.292 247 I C 0.451 176.544 176.117 -0.040 0.000 1.075 247 I CA -0.499 60.828 61.300 0.045 0.000 1.333 247 I CB -0.260 37.777 38.000 0.060 0.000 1.415 247 I HN 0.250 nan 8.210 nan 0.000 0.502 248 Y N 6.371 126.711 120.300 0.066 0.000 2.327 248 Y HA 0.306 4.858 4.550 0.002 0.000 0.336 248 Y C 0.042 175.991 175.900 0.082 0.000 1.035 248 Y CA -0.775 57.369 58.100 0.074 0.000 1.165 248 Y CB 1.198 39.706 38.460 0.080 0.000 1.181 248 Y HN 0.406 nan 8.280 nan 0.000 0.494 249 L N 4.873 126.198 121.223 0.171 0.000 2.353 249 L HA 0.328 4.669 4.340 0.002 0.000 0.269 249 L C -0.376 176.573 176.870 0.133 0.000 1.085 249 L CA -0.333 54.583 54.840 0.126 0.000 0.938 249 L CB -0.148 41.954 42.059 0.072 0.000 1.312 249 L HN 0.496 nan 8.230 nan 0.000 0.429 250 D N 2.652 123.140 120.400 0.146 0.000 2.508 250 D HA 0.275 4.916 4.640 0.002 0.000 0.224 250 D C -0.862 175.463 176.300 0.042 0.000 1.171 250 D CA 0.583 54.647 54.000 0.106 0.000 1.006 250 D CB 0.092 40.948 40.800 0.095 0.000 1.073 250 D HN 0.440 nan 8.370 nan 0.000 0.513 251 S N 3.255 118.981 115.700 0.044 0.000 2.546 251 S HA 0.260 4.731 4.470 0.002 0.000 0.303 251 S C -2.807 171.808 174.600 0.025 0.000 1.067 251 S CA -1.008 57.207 58.200 0.026 0.000 0.944 251 S CB 1.185 64.401 63.200 0.028 0.000 1.155 251 S HN 0.114 nan 8.310 nan 0.000 0.449 255 G N -0.081 108.723 108.800 0.008 0.000 2.662 255 G HA2 0.101 4.062 3.960 0.002 0.000 0.212 255 G HA3 0.101 4.062 3.960 0.002 0.000 0.212 255 G C 1.344 176.255 174.900 0.017 0.000 1.141 255 G CA 0.761 45.867 45.100 0.010 0.000 0.797 255 G HN 0.384 nan 8.290 nan 0.000 0.531 256 R N -0.137 120.377 120.500 0.022 0.000 2.210 256 R HA 0.111 4.452 4.340 0.002 0.000 0.203 256 R C 2.247 178.576 176.300 0.049 0.000 1.010 256 R CA 0.315 56.436 56.100 0.034 0.000 1.008 256 R CB 0.042 30.360 30.300 0.031 0.000 0.923 256 R HN 0.261 nan 8.270 nan 0.000 0.469 257 V N 1.114 121.051 119.914 0.039 0.000 2.809 257 V HA -0.123 3.998 4.120 0.002 0.000 0.256 257 V C 2.034 178.192 176.094 0.106 0.000 1.080 257 V CA 1.221 63.572 62.300 0.085 0.000 1.102 257 V CB -0.252 31.600 31.823 0.049 0.000 0.705 257 V HN 0.308 nan 8.190 nan 0.000 0.475 258 L N -0.424 120.798 121.223 -0.002 0.000 2.341 258 L HA -0.024 4.317 4.340 0.002 0.000 0.214 258 L C 2.341 179.283 176.870 0.121 0.000 1.115 258 L CA 0.777 55.617 54.840 0.001 0.000 0.820 258 L CB -0.055 41.979 42.059 -0.040 0.000 0.944 258 L HN 0.333 nan 8.230 nan 0.000 0.452 259 S N -0.258 115.503 115.700 0.102 0.000 2.461 259 S HA -0.079 4.392 4.470 0.002 0.000 0.228 259 S C 1.588 176.266 174.600 0.130 0.000 1.005 259 S CA 0.614 58.878 58.200 0.107 0.000 0.942 259 S CB 0.156 63.401 63.200 0.074 0.000 0.776 259 S HN 0.258 nan 8.310 nan 0.000 0.514 260 L N -0.174 121.141 121.223 0.152 0.000 2.200 260 L HA 0.310 4.651 4.340 0.002 0.000 0.200 260 L C 1.696 178.687 176.870 0.201 0.000 1.072 260 L CA 1.175 56.099 54.840 0.140 0.000 0.787 260 L CB -0.667 41.456 42.059 0.106 0.000 0.957 260 L HN 0.178 nan 8.230 nan 0.000 0.459 261 Y N 0.685 121.039 120.300 0.090 0.000 2.215 261 Y HA -0.274 4.277 4.550 0.002 0.000 0.282 261 Y C -0.621 175.445 175.900 0.275 0.000 1.207 261 Y CA 2.044 60.257 58.100 0.188 0.000 1.196 261 Y CB -1.322 37.157 38.460 0.032 0.000 0.969 261 Y HN 0.324 nan 8.280 nan 0.000 0.528 262 P HA -0.070 nan 4.420 nan 0.000 0.234 262 P C 0.696 177.957 177.300 -0.065 0.000 1.167 262 P CA 1.410 64.655 63.100 0.241 0.000 0.763 262 P CB 0.130 32.052 31.700 0.371 0.000 0.835 263 R N -1.335 119.171 120.500 0.010 0.000 2.123 263 R HA 0.153 4.494 4.340 0.002 0.000 0.209 263 R C 1.235 177.517 176.300 -0.030 0.000 1.078 263 R CA 0.384 56.469 56.100 -0.026 0.000 1.028 263 R CB -0.787 29.516 30.300 0.006 0.000 0.939 263 R HN 0.052 nan 8.270 nan 0.000 0.463 264 L N 1.572 122.788 121.223 -0.011 0.000 2.721 264 L HA -0.069 4.272 4.340 0.002 0.000 0.241 264 L C 1.968 178.855 176.870 0.027 0.000 1.168 264 L CA 0.832 55.652 54.840 -0.033 0.000 0.866 264 L CB -0.915 40.916 42.059 -0.381 0.000 0.996 264 L HN 0.051 nan 8.230 nan 0.000 0.451 265 V N 1.540 121.485 119.914 0.052 0.000 2.357 265 V HA -0.402 3.719 4.120 0.002 0.000 0.257 265 V C 2.742 178.890 176.094 0.090 0.000 1.082 265 V CA 2.609 64.940 62.300 0.051 0.000 1.078 265 V CB -0.269 31.306 31.823 -0.413 0.000 0.663 265 V HN 0.774 nan 8.190 nan 0.000 0.455 266 R N -1.982 118.472 120.500 -0.078 0.000 2.236 266 R HA -0.065 4.276 4.340 0.002 0.000 0.208 266 R C 1.903 178.045 176.300 -0.264 0.000 1.036 266 R CA 1.736 57.724 56.100 -0.186 0.000 1.001 266 R CB -0.653 29.464 30.300 -0.305 0.000 0.896 266 R HN 0.581 nan 8.270 nan 0.000 0.464 267 Y N 0.074 120.225 120.300 -0.248 0.000 2.523 267 Y HA 0.203 4.754 4.550 0.002 0.000 0.279 267 Y C 0.443 176.118 175.900 -0.375 0.000 1.139 267 Y CA -0.251 57.652 58.100 -0.328 0.000 1.296 267 Y CB 0.089 38.247 38.460 -0.504 0.000 1.045 267 Y HN -0.127 nan 8.280 nan 0.000 0.538 268 F N -0.166 119.797 119.950 0.023 0.000 2.299 268 F HA 0.206 4.734 4.527 0.002 0.000 0.293 268 F C 1.329 177.110 175.800 -0.033 0.000 1.252 268 F CA -0.917 57.077 58.000 -0.011 0.000 1.160 268 F CB -0.031 38.984 39.000 0.025 0.000 1.405 268 F HN -0.238 nan 8.300 nan 0.000 0.517 269 S N -0.138 115.673 115.700 0.185 0.000 2.626 269 S HA 0.117 4.588 4.470 0.002 0.000 0.257 269 S C 0.908 175.531 174.600 0.039 0.000 1.288 269 S CA -0.633 57.600 58.200 0.056 0.000 0.980 269 S CB 0.583 63.787 63.200 0.007 0.000 0.975 269 S HN 0.521 nan 8.310 nan 0.000 0.577 270 E N 0.896 121.102 120.200 0.010 0.000 2.031 270 E HA -0.160 4.191 4.350 0.002 0.000 0.193 270 E C 1.910 178.500 176.600 -0.015 0.000 0.994 270 E CA 1.500 57.905 56.400 0.007 0.000 0.800 270 E CB -0.949 28.756 29.700 0.008 0.000 0.752 270 E HN 0.875 nan 8.360 nan 0.000 0.447 271 E N 0.732 120.907 120.200 -0.042 0.000 2.035 271 E HA -0.193 4.158 4.350 0.002 0.000 0.204 271 E C 2.004 178.405 176.600 -0.332 0.000 1.025 271 E CA 2.020 58.345 56.400 -0.126 0.000 0.835 271 E CB 0.057 29.721 29.700 -0.059 0.000 0.764 271 E HN 0.046 nan 8.360 nan 0.000 0.457 272 V N 0.920 120.666 119.914 -0.280 0.000 2.982 272 V HA -0.236 3.885 4.120 0.002 0.000 0.265 272 V C 2.011 178.086 176.094 -0.032 0.000 1.122 272 V CA 1.737 63.845 62.300 -0.319 0.000 1.143 272 V CB -0.578 31.063 31.823 -0.303 0.000 0.726 272 V HN 0.312 nan 8.190 nan 0.000 0.507 273 Q N -0.459 119.360 119.800 0.031 0.000 2.373 273 Q HA 0.185 4.527 4.340 0.002 0.000 0.210 273 Q C 2.433 178.518 176.000 0.142 0.000 0.913 273 Q CA 0.924 56.810 55.803 0.139 0.000 0.911 273 Q CB -0.061 28.731 28.738 0.091 0.000 1.040 273 Q HN 0.644 nan 8.270 nan 0.000 0.521 274 A N 0.951 123.820 122.820 0.082 0.000 1.873 274 A HA -0.193 4.128 4.320 0.002 0.000 0.215 274 A C 1.563 179.276 177.584 0.216 0.000 1.186 274 A CA 1.294 53.413 52.037 0.136 0.000 0.616 274 A CB -0.867 18.219 19.000 0.142 0.000 0.823 274 A HN 0.406 nan 8.150 nan 0.000 0.442 275 H N -2.708 116.371 119.070 0.015 0.000 2.387 275 H HA -0.141 4.416 4.556 0.002 0.000 0.299 275 H C 1.803 177.056 175.328 -0.125 0.000 1.099 275 H CA 1.374 57.368 56.048 -0.090 0.000 1.315 275 H CB -0.157 29.473 29.762 -0.221 0.000 1.380 275 H HN 0.542 nan 8.280 nan 0.000 0.513 276 F N 0.216 120.199 119.950 0.056 0.000 2.293 276 F HA -0.095 4.433 4.527 0.002 0.000 0.297 276 F C 2.229 178.051 175.800 0.037 0.000 1.089 276 F CA 0.336 58.350 58.000 0.024 0.000 1.377 276 F CB -0.113 38.898 39.000 0.018 0.000 1.051 276 F HN 0.073 nan 8.300 nan 0.000 0.511 277 L N 0.720 122.080 121.223 0.227 0.000 2.141 277 L HA -0.151 4.190 4.340 0.002 0.000 0.209 277 L C 1.859 178.790 176.870 0.101 0.000 1.094 277 L CA 1.624 56.549 54.840 0.141 0.000 0.763 277 L CB -0.921 41.205 42.059 0.112 0.000 0.908 277 L HN 0.350 nan 8.230 nan 0.000 0.437 278 Q N -1.154 118.699 119.800 0.089 0.000 2.399 278 Q HA 0.287 4.628 4.340 0.002 0.000 0.307 278 Q C 0.941 176.959 176.000 0.029 0.000 0.933 278 Q CA 0.236 56.068 55.803 0.048 0.000 0.995 278 Q CB -0.598 28.158 28.738 0.030 0.000 1.191 278 Q HN 0.350 nan 8.270 nan 0.000 0.426 279 G N 1.715 110.546 108.800 0.052 0.000 2.402 279 G HA2 -0.282 3.679 3.960 0.002 0.000 0.300 279 G HA3 -0.282 3.679 3.960 0.002 0.000 0.300 279 G C -0.246 174.650 174.900 -0.006 0.000 0.987 279 G CA 0.721 45.847 45.100 0.043 0.000 0.881 279 G HN 0.379 nan 8.290 nan 0.000 0.512 280 K N -0.692 119.660 120.400 -0.080 0.000 2.316 280 K HA 0.477 4.798 4.320 0.002 0.000 0.234 280 K C -0.362 175.983 176.600 -0.424 0.000 1.054 280 K CA -1.251 54.940 56.287 -0.160 0.000 0.879 280 K CB 0.894 33.321 32.500 -0.121 0.000 1.252 280 K HN 0.062 nan 8.250 nan 0.000 0.471 281 N N 2.610 121.027 118.700 -0.472 0.000 2.776 281 N HA 0.162 4.903 4.740 0.002 0.000 0.245 281 N C -2.116 172.901 175.510 -0.820 0.000 1.121 281 N CA -1.761 50.886 53.050 -0.672 0.000 0.852 281 N CB 0.922 39.269 38.487 -0.233 0.000 1.142 281 N HN 0.142 nan 8.380 nan 0.000 0.514 282 P HA -0.042 nan 4.420 nan 0.000 0.249 282 P C 0.001 176.739 177.300 -0.936 0.000 1.227 282 P CA 0.556 62.863 63.100 -1.322 0.000 0.753 282 P CB -0.257 31.069 31.700 -0.623 0.000 0.966 283 F N -0.811 118.971 119.950 -0.280 0.000 2.746 283 F HA 0.289 4.817 4.527 0.002 0.000 0.320 283 F C 1.351 177.136 175.800 -0.024 0.000 1.097 283 F CA -0.308 57.656 58.000 -0.060 0.000 1.195 283 F CB 0.356 39.324 39.000 -0.052 0.000 1.056 283 F HN -0.252 nan 8.300 nan 0.000 0.562 284 R N 2.056 122.607 120.500 0.085 0.000 2.575 284 R HA 0.290 4.631 4.340 0.002 0.000 0.281 284 R C -2.643 173.789 176.300 0.220 0.000 1.272 284 R CA -1.399 54.775 56.100 0.124 0.000 1.417 284 R CB 0.670 31.018 30.300 0.080 0.000 1.121 284 R HN -0.019 nan 8.270 nan 0.000 0.583 285 P HA 0.293 nan 4.420 nan 0.000 0.301 285 P C 0.266 177.620 177.300 0.090 0.000 1.309 285 P CA -0.185 63.055 63.100 0.234 0.000 0.782 285 P CB 0.845 32.681 31.700 0.226 0.000 1.282 286 A N 0.348 123.183 122.820 0.024 0.000 5.365 286 A HA -0.222 4.099 4.320 0.002 0.000 0.458 286 A C 1.456 179.039 177.584 -0.002 0.000 1.550 286 A CA 2.140 54.177 52.037 0.000 0.000 1.229 286 A CB -2.390 16.617 19.000 0.012 0.000 1.544 286 A HN 0.747 nan 8.150 nan 0.000 0.543 287 G N -1.874 106.916 108.800 -0.017 0.000 3.814 287 G HA2 0.490 4.452 3.960 0.002 0.000 0.293 287 G HA3 0.490 4.452 3.960 0.002 0.000 0.293 287 G C 0.134 174.985 174.900 -0.082 0.000 1.243 287 G CA 0.415 45.487 45.100 -0.047 0.000 1.053 287 G HN 1.253 nan 8.290 nan 0.000 0.562 288 L N 0.515 121.716 121.223 -0.037 0.000 2.884 288 L HA -0.084 4.258 4.340 0.002 0.000 0.294 288 L C 1.372 178.182 176.870 -0.100 0.000 1.164 288 L CA 0.575 55.391 54.840 -0.039 0.000 0.918 288 L CB 0.668 42.740 42.059 0.021 0.000 1.281 288 L HN 0.393 nan 8.230 nan 0.000 0.478 289 E N 4.176 124.265 120.200 -0.186 0.000 2.083 289 E HA 0.213 4.564 4.350 0.002 0.000 0.193 289 E C -0.283 176.274 176.600 -0.071 0.000 0.950 289 E CA 1.014 57.273 56.400 -0.235 0.000 0.849 289 E CB 0.393 29.703 29.700 -0.649 0.000 0.827 289 E HN 0.428 nan 8.360 nan 0.000 0.465 290 V N 0.628 120.537 119.914 -0.009 0.000 3.346 290 V HA -0.162 3.959 4.120 0.002 0.000 0.477 290 V C -0.430 175.718 176.094 0.089 0.000 0.682 290 V CA 0.256 62.585 62.300 0.049 0.000 2.016 290 V CB -1.297 30.547 31.823 0.034 0.000 2.468 290 V HN 0.146 nan 8.190 nan 0.000 0.500 291 V N 6.171 126.160 119.914 0.124 0.000 2.834 291 V HA 0.450 4.571 4.120 0.002 0.000 0.301 291 V C 0.865 177.016 176.094 0.094 0.000 1.066 291 V CA 0.036 62.420 62.300 0.141 0.000 1.052 291 V CB 1.796 33.710 31.823 0.152 0.000 1.021 291 V HN 0.992 nan 8.190 nan 0.000 0.480 292 E N 1.491 121.760 120.200 0.114 0.000 2.645 292 E HA 0.233 4.585 4.350 0.002 0.000 0.198 292 E C -0.082 176.511 176.600 -0.012 0.000 1.091 292 E CA 0.186 56.631 56.400 0.075 0.000 1.096 292 E CB -0.146 29.691 29.700 0.229 0.000 2.013 292 E HN 0.768 nan 8.360 nan 0.000 0.537 293 H N 0.786 119.881 119.070 0.042 0.000 2.482 293 H HA 0.211 4.768 4.556 0.002 0.000 0.344 293 H C 1.101 176.447 175.328 0.030 0.000 1.151 293 H CA 0.585 56.652 56.048 0.032 0.000 1.300 293 H CB 1.052 30.829 29.762 0.026 0.000 1.494 293 H HN 0.168 nan 8.280 nan 0.000 0.542 294 T N -1.141 113.488 114.554 0.126 0.000 2.996 294 T HA -0.152 4.199 4.350 0.002 0.000 0.271 294 T C 1.289 176.019 174.700 0.051 0.000 1.126 294 T CA 1.093 63.234 62.100 0.069 0.000 1.103 294 T CB 0.042 68.936 68.868 0.043 0.000 0.870 294 T HN 0.500 nan 8.240 nan 0.000 0.528 295 E N 1.657 121.906 120.200 0.081 0.000 2.051 295 E HA 0.133 4.484 4.350 0.002 0.000 0.189 295 E C 2.661 179.286 176.600 0.042 0.000 0.979 295 E CA 1.240 57.664 56.400 0.040 0.000 0.803 295 E CB -0.711 29.006 29.700 0.028 0.000 0.761 295 E HN 0.654 nan 8.360 nan 0.000 0.451 296 A N 0.945 123.812 122.820 0.079 0.000 1.969 296 A HA -0.120 4.201 4.320 0.002 0.000 0.218 296 A C 2.364 179.999 177.584 0.084 0.000 1.169 296 A CA 1.781 53.869 52.037 0.086 0.000 0.635 296 A CB -0.404 18.671 19.000 0.125 0.000 0.810 296 A HN 0.222 nan 8.150 nan 0.000 0.445 297 S N -0.740 115.014 115.700 0.091 0.000 2.387 297 S HA -0.070 4.401 4.470 0.002 0.000 0.226 297 S C 1.906 176.565 174.600 0.098 0.000 1.026 297 S CA 1.397 59.659 58.200 0.104 0.000 0.972 297 S CB -0.231 63.018 63.200 0.081 0.000 0.814 297 S HN 0.576 nan 8.310 nan 0.000 0.477 298 K N 0.446 120.856 120.400 0.018 0.000 2.418 298 K HA 0.231 4.552 4.320 0.002 0.000 0.195 298 K C 1.873 178.441 176.600 -0.053 0.000 1.035 298 K CA 0.596 56.848 56.287 -0.059 0.000 1.003 298 K CB -0.093 32.324 32.500 -0.138 0.000 0.793 298 K HN 0.410 nan 8.250 nan 0.000 0.494 299 A N 0.725 123.529 122.820 -0.026 0.000 2.167 299 A HA -0.003 4.318 4.320 0.002 0.000 0.214 299 A C 1.613 179.151 177.584 -0.078 0.000 1.151 299 A CA 0.716 52.732 52.037 -0.035 0.000 0.735 299 A CB -0.222 18.772 19.000 -0.009 0.000 0.802 299 A HN 0.175 nan 8.150 nan 0.000 0.467 300 L N -0.270 120.879 121.223 -0.122 0.000 2.592 300 L HA 0.077 4.418 4.340 0.002 0.000 0.227 300 L C 1.110 177.819 176.870 -0.269 0.000 1.127 300 L CA -0.113 54.572 54.840 -0.259 0.000 0.884 300 L CB -0.275 41.529 42.059 -0.424 0.000 1.065 300 L HN 0.279 nan 8.230 nan 0.000 0.457 301 N N 0.687 119.293 118.700 -0.156 0.000 2.422 301 N HA -0.009 4.732 4.740 0.002 0.000 0.181 301 N C 1.295 176.777 175.510 -0.047 0.000 1.080 301 N CA 0.506 53.499 53.050 -0.095 0.000 0.893 301 N CB 0.368 38.846 38.487 -0.014 0.000 0.973 301 N HN 0.287 nan 8.380 nan 0.000 0.456 302 R N -0.075 120.388 120.500 -0.060 0.000 2.476 302 R HA 0.335 4.677 4.340 0.002 0.000 0.276 302 R C 0.052 176.319 176.300 -0.055 0.000 0.941 302 R CA -0.133 55.944 56.100 -0.038 0.000 1.088 302 R CB 0.495 30.785 30.300 -0.017 0.000 1.216 302 R HN -0.033 nan 8.270 nan 0.000 0.533 303 A N 3.211 125.977 122.820 -0.091 0.000 2.302 303 A HA 0.464 4.785 4.320 0.002 0.000 0.295 303 A C -1.996 175.537 177.584 -0.084 0.000 1.235 303 A CA -1.211 50.774 52.037 -0.086 0.000 0.876 303 A CB 0.049 18.973 19.000 -0.127 0.000 1.133 303 A HN -0.021 nan 8.150 nan 0.000 0.533 304 P HA 0.550 nan 4.420 nan 0.000 0.323 304 P C 0.619 177.903 177.300 -0.028 0.000 1.309 304 P CA 0.744 63.820 63.100 -0.040 0.000 0.739 304 P CB 0.198 31.883 31.700 -0.026 0.000 1.454 305 G N -0.530 108.259 108.800 -0.019 0.000 2.888 305 G HA2 -0.117 3.844 3.960 0.002 0.000 0.441 305 G HA3 -0.117 3.844 3.960 0.002 0.000 0.441 305 G C -2.561 172.335 174.900 -0.007 0.000 1.461 305 G CA -0.352 44.743 45.100 -0.008 0.000 0.897 305 G HN 0.667 nan 8.290 nan 0.000 0.547 309 V N 5.737 125.732 119.914 0.136 0.000 2.555 309 V HA 0.708 4.829 4.120 0.002 0.000 0.302 309 V C -0.678 175.518 176.094 0.169 0.000 1.038 309 V CA -0.653 61.757 62.300 0.184 0.000 0.887 309 V CB 2.020 33.940 31.823 0.160 0.000 0.991 309 V HN 0.704 nan 8.190 nan 0.000 0.434 310 L N 4.205 125.532 121.223 0.172 0.000 2.356 310 L HA 0.932 5.273 4.340 0.002 0.000 0.277 310 L C 0.060 176.979 176.870 0.081 0.000 0.996 310 L CA -0.102 54.811 54.840 0.121 0.000 0.822 310 L CB 1.740 43.870 42.059 0.118 0.000 1.256 310 L HN 0.779 nan 8.230 nan 0.000 0.413 311 A N 1.362 124.195 122.820 0.023 0.000 2.485 311 A HA 0.917 5.238 4.320 0.002 0.000 0.292 311 A C 0.080 177.620 177.584 -0.074 0.000 1.147 311 A CA -0.273 51.737 52.037 -0.045 0.000 0.750 311 A CB 1.015 19.930 19.000 -0.140 0.000 1.331 311 A HN 0.727 nan 8.150 nan 0.000 0.419 312 G N -0.555 108.195 108.800 -0.083 0.000 2.690 312 G HA2 0.466 4.427 3.960 0.002 0.000 0.239 312 G HA3 0.466 4.427 3.960 0.002 0.000 0.239 312 G C 0.223 175.037 174.900 -0.142 0.000 1.233 312 G CA 0.795 45.845 45.100 -0.083 0.000 0.847 312 G HN 1.896 nan 8.290 nan 0.000 0.588 313 S N -1.112 114.487 115.700 -0.170 0.000 3.734 313 S HA -0.081 4.391 4.470 0.002 0.000 0.531 313 S C 1.004 175.326 174.600 -0.464 0.000 0.757 313 S CA 0.239 58.302 58.200 -0.228 0.000 1.388 313 S CB -1.448 61.690 63.200 -0.105 0.000 0.878 313 S HN 1.648 nan 8.310 nan 0.000 0.735 317 A N 0.069 122.885 122.820 -0.007 0.000 2.136 317 A HA 0.179 4.500 4.320 0.002 0.000 0.274 317 A C 0.459 178.035 177.584 -0.013 0.000 1.388 317 A CA 1.495 53.528 52.037 -0.007 0.000 0.741 317 A CB -1.963 17.043 19.000 0.010 0.000 1.173 317 A HN 1.437 nan 8.150 nan 0.000 0.329 318 G N -0.730 108.044 108.800 -0.043 0.000 3.420 318 G HA2 0.702 4.663 3.960 0.002 0.000 0.142 318 G HA3 0.702 4.663 3.960 0.002 0.000 0.142 318 G C 0.682 175.531 174.900 -0.085 0.000 1.209 318 G CA 1.180 46.256 45.100 -0.042 0.000 1.454 318 G HN 1.803 nan 8.290 nan 0.000 0.728 319 G N -0.782 107.952 108.800 -0.111 0.000 3.247 319 G HA2 0.448 4.409 3.960 0.002 0.000 0.163 319 G HA3 0.448 4.409 3.960 0.002 0.000 0.163 319 G C 1.047 175.790 174.900 -0.262 0.000 1.206 319 G CA 0.396 45.403 45.100 -0.155 0.000 0.918 319 G HN 0.310 nan 8.290 nan 0.000 0.625 320 R N -0.500 119.882 120.500 -0.197 0.000 2.261 320 R HA -0.234 4.107 4.340 0.002 0.000 0.252 320 R C 2.280 178.356 176.300 -0.373 0.000 1.116 320 R CA 1.796 57.750 56.100 -0.242 0.000 0.942 320 R CB -1.557 28.620 30.300 -0.206 0.000 0.932 320 R HN 0.420 nan 8.270 nan 0.000 0.441 321 I N 1.258 121.663 120.570 -0.276 0.000 2.290 321 I HA -0.273 3.898 4.170 0.002 0.000 0.253 321 I C 2.203 178.240 176.117 -0.133 0.000 1.112 321 I CA 1.418 62.603 61.300 -0.192 0.000 1.377 321 I CB -0.166 37.767 38.000 -0.112 0.000 1.060 321 I HN 0.139 nan 8.210 nan 0.000 0.428 322 L N -1.125 119.979 121.223 -0.198 0.000 2.109 322 L HA -0.171 4.170 4.340 0.002 0.000 0.207 322 L C 2.250 179.083 176.870 -0.061 0.000 1.086 322 L CA 0.809 55.559 54.840 -0.149 0.000 0.760 322 L CB -1.057 40.865 42.059 -0.228 0.000 0.910 322 L HN 0.310 nan 8.230 nan 0.000 0.437 323 H N -1.049 118.010 119.070 -0.018 0.000 2.561 323 H HA -0.040 4.517 4.556 0.002 0.000 0.278 323 H C 1.081 176.521 175.328 0.186 0.000 1.014 323 H CA 0.848 56.906 56.048 0.017 0.000 1.211 323 H CB -0.230 29.460 29.762 -0.119 0.000 1.365 323 H HN 0.536 nan 8.280 nan 0.000 0.594 324 H N -0.718 118.394 119.070 0.071 0.000 2.505 324 H HA 0.115 4.672 4.556 0.002 0.000 0.286 324 H C 0.596 175.940 175.328 0.027 0.000 1.072 324 H CA -0.180 55.889 56.048 0.035 0.000 1.141 324 H CB 0.818 30.580 29.762 0.000 0.000 1.550 324 H HN 0.067 nan 8.280 nan 0.000 0.547 325 L N -0.545 120.775 121.223 0.162 0.000 3.174 325 L HA 0.125 4.466 4.340 0.002 0.000 0.283 325 L C 1.745 178.673 176.870 0.097 0.000 1.187 325 L CA 0.510 55.404 54.840 0.090 0.000 1.018 325 L CB 0.648 42.741 42.059 0.056 0.000 1.433 325 L HN -0.004 nan 8.230 nan 0.000 0.593 326 K N -0.833 119.667 120.400 0.167 0.000 2.216 326 K HA 0.092 4.413 4.320 0.002 0.000 0.207 326 K C 0.361 177.050 176.600 0.148 0.000 1.041 326 K CA 0.295 56.682 56.287 0.166 0.000 0.966 326 K CB 0.189 32.847 32.500 0.264 0.000 0.955 326 K HN 0.190 nan 8.250 nan 0.000 0.468 327 H N 0.144 119.256 119.070 0.070 0.000 3.001 327 H HA 0.319 4.876 4.556 0.002 0.000 0.248 327 H C -0.669 174.661 175.328 0.004 0.000 1.663 327 H CA 0.655 56.724 56.048 0.035 0.000 1.258 327 H CB 0.211 29.997 29.762 0.040 0.000 1.547 327 H HN 0.494 nan 8.280 nan 0.000 0.557 328 G N 0.460 109.310 108.800 0.082 0.000 2.897 328 G HA2 0.137 4.098 3.960 0.002 0.000 0.392 328 G HA3 0.137 4.098 3.960 0.002 0.000 0.392 328 G C -0.507 174.403 174.900 0.016 0.000 1.263 328 G CA -0.346 44.770 45.100 0.026 0.000 1.185 328 G HN 0.371 nan 8.290 nan 0.000 0.573 329 L N 1.288 122.510 121.223 -0.000 0.000 4.993 329 L HA 0.281 4.623 4.340 0.002 0.000 0.513 329 L C 1.498 178.358 176.870 -0.018 0.000 0.786 329 L CA 1.822 56.656 54.840 -0.010 0.000 2.129 329 L CB -0.339 41.722 42.059 0.004 0.000 2.129 329 L HN 1.146 nan 8.230 nan 0.000 0.597 330 S N -0.596 115.095 115.700 -0.015 0.000 2.677 330 S HA 0.360 4.831 4.470 0.002 0.000 0.246 330 S C 0.176 174.764 174.600 -0.021 0.000 1.005 330 S CA -0.147 58.042 58.200 -0.018 0.000 1.062 330 S CB -0.582 62.608 63.200 -0.016 0.000 0.778 330 S HN 0.412 nan 8.310 nan 0.000 0.461 331 D N 2.192 122.577 120.400 -0.024 0.000 2.440 331 D HA 0.329 4.970 4.640 0.002 0.000 0.239 331 D C -1.692 174.591 176.300 -0.028 0.000 1.084 331 D CA -2.366 51.619 54.000 -0.025 0.000 0.843 331 D CB 2.095 42.879 40.800 -0.027 0.000 1.097 331 D HN -0.022 nan 8.370 nan 0.000 0.531 332 P HA -0.130 nan 4.420 nan 0.000 0.226 332 P C 0.789 178.074 177.300 -0.025 0.000 1.146 332 P CA 0.600 63.684 63.100 -0.025 0.000 0.773 332 P CB 0.379 32.068 31.700 -0.019 0.000 0.772 333 R N -1.137 119.347 120.500 -0.026 0.000 2.236 333 R HA 0.067 4.408 4.340 0.002 0.000 0.208 333 R C 0.759 177.039 176.300 -0.033 0.000 1.036 333 R CA 0.218 56.303 56.100 -0.026 0.000 1.001 333 R CB -0.305 29.980 30.300 -0.025 0.000 0.896 333 R HN 0.288 nan 8.270 nan 0.000 0.464 334 N N 0.428 119.105 118.700 -0.039 0.000 2.463 334 N HA 0.307 5.048 4.740 0.002 0.000 0.270 334 N C -0.594 174.882 175.510 -0.057 0.000 1.205 334 N CA -0.074 52.947 53.050 -0.049 0.000 0.974 334 N CB 1.639 40.095 38.487 -0.052 0.000 1.197 334 N HN 0.046 nan 8.380 nan 0.000 0.504 335 A N 1.285 124.063 122.820 -0.069 0.000 3.474 335 A HA 0.177 4.498 4.320 0.002 0.000 0.251 335 A C -0.191 177.325 177.584 -0.113 0.000 1.062 335 A CA -0.566 51.422 52.037 -0.082 0.000 0.945 335 A CB -0.339 18.646 19.000 -0.024 0.000 1.296 335 A HN 0.658 nan 8.150 nan 0.000 0.592 336 L N 1.378 122.510 121.223 -0.151 0.000 2.615 336 L HA 0.314 4.655 4.340 0.002 0.000 0.284 336 L C -0.982 175.715 176.870 -0.288 0.000 1.237 336 L CA 0.650 55.365 54.840 -0.209 0.000 0.905 336 L CB 0.498 42.411 42.059 -0.243 0.000 1.149 336 L HN 0.276 nan 8.230 nan 0.000 0.499 337 V N 5.332 125.094 119.914 -0.252 0.000 2.638 337 V HA 0.325 4.446 4.120 0.002 0.000 0.306 337 V C -0.501 175.509 176.094 -0.140 0.000 1.052 337 V CA -0.511 61.679 62.300 -0.182 0.000 0.885 337 V CB 1.602 33.426 31.823 0.001 0.000 0.999 337 V HN 0.488 nan 8.190 nan 0.000 0.424 338 F N 4.111 124.140 119.950 0.131 0.000 2.466 338 F HA 0.259 4.787 4.527 0.002 0.000 0.363 338 F C 1.233 177.172 175.800 0.232 0.000 1.109 338 F CA -0.255 57.825 58.000 0.134 0.000 1.161 338 F CB 1.208 40.248 39.000 0.066 0.000 1.117 338 F HN 0.422 nan 8.300 nan 0.000 0.539 339 V N 0.948 121.117 119.914 0.426 0.000 3.174 339 V HA 0.401 4.522 4.120 0.002 0.000 0.254 339 V C 0.962 177.248 176.094 0.321 0.000 1.120 339 V CA 0.964 63.511 62.300 0.411 0.000 1.114 339 V CB -0.636 31.329 31.823 0.237 0.000 0.756 339 V HN 0.655 nan 8.190 nan 0.000 0.467 340 G N -1.687 107.320 108.800 0.344 0.000 3.075 340 G HA2 0.558 4.519 3.960 0.002 0.000 0.253 340 G HA3 0.558 4.519 3.960 0.002 0.000 0.253 340 G C -1.842 173.316 174.900 0.429 0.000 1.353 340 G CA -0.905 44.443 45.100 0.412 0.000 1.051 340 G HN 0.084 nan 8.290 nan 0.000 0.553 341 Y N 1.386 121.851 120.300 0.276 0.000 2.385 341 Y HA 0.329 4.880 4.550 0.002 0.000 0.341 341 Y C 0.628 176.533 175.900 0.009 0.000 0.965 341 Y CA -0.668 57.517 58.100 0.141 0.000 1.180 341 Y CB 1.253 39.779 38.460 0.109 0.000 1.139 341 Y HN 0.172 nan 8.280 nan 0.000 0.502 342 Q N 5.527 125.249 119.800 -0.129 0.000 2.364 342 Q HA 0.188 4.529 4.340 0.002 0.000 0.267 342 Q C -2.108 173.825 176.000 -0.112 0.000 0.999 342 Q CA -1.461 54.214 55.803 -0.214 0.000 0.886 342 Q CB 0.440 28.852 28.738 -0.543 0.000 1.243 342 Q HN 0.473 nan 8.270 nan 0.000 0.415 343 P HA 0.216 nan 4.420 nan 0.000 0.288 343 P C -0.666 176.599 177.300 -0.058 0.000 1.267 343 P CA -0.482 62.592 63.100 -0.043 0.000 0.815 343 P CB 1.282 32.978 31.700 -0.007 0.000 0.989 344 Q N 0.143 119.914 119.800 -0.048 0.000 2.443 344 Q HA 0.384 4.725 4.340 0.002 0.000 0.232 344 Q C 1.002 176.984 176.000 -0.030 0.000 1.026 344 Q CA 0.388 56.165 55.803 -0.043 0.000 0.924 344 Q CB 0.229 28.946 28.738 -0.035 0.000 1.256 344 Q HN 0.863 nan 8.270 nan 0.000 0.519 345 G N 0.010 108.795 108.800 -0.025 0.000 2.160 345 G HA2 -0.210 3.751 3.960 0.002 0.000 0.251 345 G HA3 -0.210 3.751 3.960 0.002 0.000 0.251 345 G C 0.132 175.024 174.900 -0.014 0.000 1.008 345 G CA 0.024 45.114 45.100 -0.017 0.000 0.724 345 G HN 0.888 nan 8.290 nan 0.000 0.514 346 G N -1.699 107.090 108.800 -0.019 0.000 2.725 346 G HA2 0.744 4.705 3.960 0.002 0.000 0.288 346 G HA3 0.744 4.705 3.960 0.002 0.000 0.288 346 G C -0.141 174.750 174.900 -0.016 0.000 1.399 346 G CA -0.159 44.933 45.100 -0.013 0.000 0.859 346 G HN 1.044 nan 8.290 nan 0.000 0.479 347 L N 0.374 121.596 121.223 -0.002 0.000 2.371 347 L HA 0.442 4.783 4.340 0.002 0.000 0.234 347 L C 2.023 178.894 176.870 0.002 0.000 1.230 347 L CA 2.536 57.384 54.840 0.013 0.000 0.825 347 L CB -0.170 41.907 42.059 0.030 0.000 1.157 347 L HN 1.966 nan 8.230 nan 0.000 0.565 348 G N 0.112 108.951 108.800 0.064 0.000 4.300 348 G HA2 -0.427 3.534 3.960 0.002 0.000 0.222 348 G HA3 -0.427 3.534 3.960 0.002 0.000 0.222 348 G C 1.192 176.062 174.900 -0.050 0.000 1.344 348 G CA 1.338 46.491 45.100 0.088 0.000 1.014 348 G HN 1.554 nan 8.290 nan 0.000 0.641 349 A N 0.596 123.337 122.820 -0.131 0.000 2.070 349 A HA 0.155 4.476 4.320 0.002 0.000 0.220 349 A C 2.055 179.618 177.584 -0.035 0.000 1.159 349 A CA 2.440 54.411 52.037 -0.110 0.000 0.656 349 A CB -0.403 18.538 19.000 -0.099 0.000 0.800 349 A HN 0.839 nan 8.150 nan 0.000 0.453 350 E N -0.334 119.862 120.200 -0.008 0.000 2.230 350 E HA -0.009 4.342 4.350 0.002 0.000 0.192 350 E C 1.584 178.203 176.600 0.032 0.000 0.987 350 E CA 0.538 56.944 56.400 0.011 0.000 0.841 350 E CB -0.109 29.599 29.700 0.013 0.000 0.783 350 E HN 0.679 nan 8.360 nan 0.000 0.481 351 I N 1.123 121.733 120.570 0.066 0.000 2.876 351 I HA -0.109 4.062 4.170 0.002 0.000 0.264 351 I C 1.334 177.508 176.117 0.095 0.000 1.204 351 I CA 0.098 61.454 61.300 0.094 0.000 1.485 351 I CB 0.098 38.199 38.000 0.169 0.000 1.103 351 I HN 0.186 nan 8.210 nan 0.000 0.446 352 I N 1.299 121.917 120.570 0.081 0.000 3.456 352 I HA -0.061 4.110 4.170 0.002 0.000 0.291 352 I C 2.144 178.279 176.117 0.030 0.000 1.307 352 I CA 0.690 62.026 61.300 0.060 0.000 1.333 352 I CB -1.389 36.613 38.000 0.004 0.000 1.032 352 I HN 0.146 nan 8.210 nan 0.000 0.506 353 A N 0.420 123.256 122.820 0.026 0.000 2.197 353 A HA 0.102 4.423 4.320 0.002 0.000 0.210 353 A C 1.579 179.172 177.584 0.014 0.000 1.180 353 A CA -0.022 52.024 52.037 0.015 0.000 0.846 353 A CB 0.030 19.037 19.000 0.011 0.000 0.884 353 A HN 0.263 nan 8.150 nan 0.000 0.487 354 R N -0.689 119.820 120.500 0.016 0.000 3.627 354 R HA -0.120 4.221 4.340 0.002 0.000 0.281 354 R C -2.129 174.173 176.300 0.004 0.000 1.140 354 R CA 0.860 56.964 56.100 0.006 0.000 0.761 354 R CB -2.524 27.777 30.300 0.001 0.000 1.181 354 R HN 0.491 nan 8.270 nan 0.000 0.472 355 P HA 0.058 nan 4.420 nan 0.000 0.272 355 P C -1.633 175.668 177.300 0.002 0.000 1.254 355 P CA -0.760 62.343 63.100 0.004 0.000 0.795 355 P CB 0.267 31.970 31.700 0.006 0.000 1.022 356 P HA -0.141 nan 4.420 nan 0.000 0.202 356 P C 0.540 177.839 177.300 -0.002 0.000 1.149 356 P CA 1.560 64.659 63.100 -0.002 0.000 0.931 356 P CB -0.399 31.300 31.700 -0.002 0.000 0.762 357 A N -1.071 121.749 122.820 -0.000 0.000 2.309 357 A HA 0.626 4.948 4.320 0.002 0.000 0.317 357 A C -0.644 176.943 177.584 0.005 0.000 1.134 357 A CA -0.539 51.498 52.037 0.000 0.000 0.866 357 A CB 1.531 20.530 19.000 -0.001 0.000 1.329 357 A HN 0.025 nan 8.150 nan 0.000 0.477 358 V N -0.203 119.716 119.914 0.008 0.000 3.040 358 V HA 0.521 4.642 4.120 0.002 0.000 0.312 358 V C -0.022 176.080 176.094 0.013 0.000 1.115 358 V CA -0.766 61.541 62.300 0.013 0.000 0.998 358 V CB 1.942 33.777 31.823 0.020 0.000 1.042 358 V HN 0.896 nan 8.190 nan 0.000 0.433 359 R N 2.713 123.221 120.500 0.014 0.000 2.296 359 R HA 0.593 4.934 4.340 0.002 0.000 0.327 359 R C -1.214 175.098 176.300 0.020 0.000 1.137 359 R CA -0.118 55.990 56.100 0.015 0.000 1.020 359 R CB 0.040 30.347 30.300 0.011 0.000 1.110 359 R HN 0.665 nan 8.270 nan 0.000 0.499 360 I N 5.209 125.793 120.570 0.024 0.000 2.406 360 I HA 0.192 4.363 4.170 0.002 0.000 0.290 360 I C 0.091 176.231 176.117 0.039 0.000 0.999 360 I CA -0.951 60.367 61.300 0.030 0.000 1.124 360 I CB 1.857 39.880 38.000 0.037 0.000 1.289 360 I HN 0.514 nan 8.210 nan 0.000 0.441 361 L N 6.115 127.360 121.223 0.037 0.000 3.548 361 L HA -0.197 4.144 4.340 0.002 0.000 0.443 361 L C 1.231 178.128 176.870 0.045 0.000 1.286 361 L CA 1.039 55.910 54.840 0.052 0.000 0.863 361 L CB -2.176 39.940 42.059 0.095 0.000 1.734 361 L HN 1.194 nan 8.230 nan 0.000 0.873 362 G N 0.305 109.123 108.800 0.030 0.000 2.296 362 G HA2 -0.280 3.681 3.960 0.002 0.000 0.282 362 G HA3 -0.280 3.681 3.960 0.002 0.000 0.282 362 G C 0.260 175.172 174.900 0.019 0.000 1.014 362 G CA 1.349 46.463 45.100 0.023 0.000 0.812 362 G HN 0.726 nan 8.290 nan 0.000 0.508 363 E N -1.007 119.205 120.200 0.020 0.000 2.359 363 E HA 0.660 5.011 4.350 0.002 0.000 0.266 363 E C -0.522 176.083 176.600 0.009 0.000 0.920 363 E CA -1.016 55.391 56.400 0.011 0.000 0.788 363 E CB 1.175 30.882 29.700 0.011 0.000 1.279 363 E HN 0.049 nan 8.360 nan 0.000 0.438 364 E N 2.193 122.394 120.200 0.002 0.000 2.751 364 E HA 0.294 4.645 4.350 0.002 0.000 0.219 364 E C -1.612 174.987 176.600 -0.002 0.000 1.060 364 E CA -0.513 55.888 56.400 0.002 0.000 0.893 364 E CB 0.917 30.616 29.700 -0.001 0.000 1.300 364 E HN 0.267 nan 8.360 nan 0.000 0.433 365 V N 4.353 124.268 119.914 0.002 0.000 2.546 365 V HA 0.500 4.621 4.120 0.002 0.000 0.284 365 V C -2.348 173.745 176.094 -0.001 0.000 1.050 365 V CA -2.395 59.903 62.300 -0.002 0.000 0.981 365 V CB 1.391 33.217 31.823 0.005 0.000 0.990 365 V HN 0.536 nan 8.190 nan 0.000 0.474 366 P HA 0.169 nan 4.420 nan 0.000 0.276 366 P C -0.810 176.485 177.300 -0.009 0.000 1.243 366 P CA -0.241 62.854 63.100 -0.007 0.000 0.768 366 P CB 0.597 32.290 31.700 -0.011 0.000 0.856 367 L N 5.188 126.406 121.223 -0.008 0.000 2.356 367 L HA 0.218 4.560 4.340 0.002 0.000 0.282 367 L C 0.721 177.579 176.870 -0.021 0.000 1.132 367 L CA 0.648 55.480 54.840 -0.013 0.000 0.923 367 L CB -0.624 41.430 42.059 -0.009 0.000 1.278 367 L HN 0.269 nan 8.230 nan 0.000 0.436 368 R N 3.077 123.563 120.500 -0.024 0.000 2.437 368 R HA 0.437 4.778 4.340 0.002 0.000 0.257 368 R C 0.190 176.469 176.300 -0.036 0.000 0.927 368 R CA 0.154 56.238 56.100 -0.027 0.000 1.078 368 R CB 0.668 30.955 30.300 -0.021 0.000 1.161 368 R HN 0.665 nan 8.270 nan 0.000 0.529 369 A N 1.237 124.028 122.820 -0.047 0.000 2.282 369 A HA 0.434 4.755 4.320 0.002 0.000 0.319 369 A C 0.134 177.661 177.584 -0.095 0.000 1.121 369 A CA -0.512 51.487 52.037 -0.063 0.000 0.836 369 A CB 0.938 19.898 19.000 -0.066 0.000 1.146 369 A HN 0.198 nan 8.150 nan 0.000 0.494 370 S N 0.473 116.102 115.700 -0.118 0.000 2.489 370 S HA 0.541 5.012 4.470 0.002 0.000 0.277 370 S C -0.404 173.981 174.600 -0.359 0.000 1.230 370 S CA -0.555 57.515 58.200 -0.217 0.000 1.053 370 S CB 0.841 63.940 63.200 -0.168 0.000 0.955 370 S HN 0.671 nan 8.310 nan 0.000 0.488 371 V N 4.791 124.451 119.914 -0.423 0.000 2.417 371 V HA 0.426 4.547 4.120 0.002 0.000 0.291 371 V C -0.545 175.270 176.094 -0.466 0.000 1.024 371 V CA -0.633 61.434 62.300 -0.389 0.000 0.861 371 V CB 1.187 32.890 31.823 -0.200 0.000 0.985 371 V HN 0.907 nan 8.190 nan 0.000 0.436 372 H N 2.078 121.139 119.070 -0.016 0.000 2.589 372 H HA 0.336 4.893 4.556 0.002 0.000 0.335 372 H C -0.292 175.118 175.328 0.136 0.000 1.019 372 H CA -0.532 55.545 56.048 0.050 0.000 1.213 372 H CB 2.010 31.782 29.762 0.018 0.000 1.472 372 H HN 0.467 nan 8.280 nan 0.000 0.508 373 T N 5.261 119.980 114.554 0.275 0.000 2.855 373 T HA 0.154 4.506 4.350 0.002 0.000 0.290 373 T C 1.195 176.007 174.700 0.188 0.000 0.941 373 T CA -0.476 61.774 62.100 0.250 0.000 1.030 373 T CB -0.522 68.414 68.868 0.112 0.000 0.935 373 T HN 0.288 nan 8.240 nan 0.000 0.564 374 L N 3.985 125.361 121.223 0.255 0.000 2.451 374 L HA 0.255 4.596 4.340 0.002 0.000 0.272 374 L C 1.397 178.441 176.870 0.290 0.000 1.258 374 L CA -0.583 54.412 54.840 0.257 0.000 1.132 374 L CB -0.498 41.779 42.059 0.362 0.000 1.361 374 L HN 0.559 nan 8.230 nan 0.000 0.438 375 G N 0.614 109.548 108.800 0.225 0.000 2.403 375 G HA2 0.425 4.387 3.960 0.002 0.000 0.259 375 G HA3 0.425 4.387 3.960 0.002 0.000 0.259 375 G C 0.845 176.087 174.900 0.570 0.000 1.244 375 G CA 0.336 45.675 45.100 0.399 0.000 0.849 375 G HN 0.792 nan 8.290 nan 0.000 0.532 376 G N 0.537 109.859 108.800 0.871 0.000 2.165 376 G HA2 -0.243 3.719 3.960 0.002 0.000 0.226 376 G HA3 -0.243 3.719 3.960 0.002 0.000 0.226 376 G C 0.330 175.418 174.900 0.313 0.000 1.035 376 G CA 0.412 45.830 45.100 0.530 0.000 0.744 376 G HN 0.915 nan 8.290 nan 0.000 0.501 377 F N 0.338 120.414 119.950 0.209 0.000 2.781 377 F HA 0.485 5.013 4.527 0.002 0.000 0.322 377 F C 1.227 177.099 175.800 0.122 0.000 1.108 377 F CA 0.163 58.267 58.000 0.174 0.000 1.179 377 F CB 0.669 39.800 39.000 0.219 0.000 1.072 377 F HN 0.279 nan 8.300 nan 0.000 0.545 378 S N -0.260 115.518 115.700 0.130 0.000 2.624 378 S HA 0.321 4.792 4.470 0.002 0.000 0.263 378 S C 1.355 175.879 174.600 -0.126 0.000 1.287 378 S CA 0.331 58.549 58.200 0.031 0.000 0.990 378 S CB 1.368 64.570 63.200 0.003 0.000 0.950 378 S HN 0.387 nan 8.310 nan 0.000 0.561 379 G N 0.496 109.262 108.800 -0.058 0.000 2.712 379 G HA2 0.106 4.067 3.960 0.002 0.000 0.212 379 G HA3 0.106 4.067 3.960 0.002 0.000 0.212 379 G C 0.215 175.049 174.900 -0.111 0.000 1.142 379 G CA 0.257 45.269 45.100 -0.147 0.000 0.789 379 G HN 0.734 nan 8.290 nan 0.000 0.535 380 H N -0.374 118.575 119.070 -0.201 0.000 2.505 380 H HA 0.583 5.141 4.556 0.002 0.000 0.355 380 H C 0.302 175.512 175.328 -0.197 0.000 1.179 380 H CA 0.160 56.072 56.048 -0.227 0.000 1.343 380 H CB 1.417 30.881 29.762 -0.498 0.000 1.501 380 H HN 0.113 nan 8.280 nan 0.000 0.569 381 A N 1.895 124.688 122.820 -0.044 0.000 2.279 381 A HA 0.473 4.794 4.320 0.002 0.000 0.306 381 A C 0.933 178.538 177.584 0.036 0.000 1.300 381 A CA -0.070 51.964 52.037 -0.005 0.000 0.925 381 A CB -0.460 18.488 19.000 -0.088 0.000 1.152 381 A HN 0.834 nan 8.150 nan 0.000 0.544 382 G N 0.868 109.769 108.800 0.169 0.000 2.690 382 G HA2 0.190 4.152 3.960 0.002 0.000 0.239 382 G HA3 0.190 4.152 3.960 0.002 0.000 0.239 382 G C 0.804 175.693 174.900 -0.019 0.000 1.233 382 G CA 0.437 45.488 45.100 -0.081 0.000 0.847 382 G HN 0.967 nan 8.290 nan 0.000 0.588 383 Q N -0.039 119.739 119.800 -0.037 0.000 2.084 383 Q HA -0.322 4.019 4.340 0.002 0.000 0.215 383 Q C 2.148 178.161 176.000 0.023 0.000 1.020 383 Q CA 2.814 58.617 55.803 0.002 0.000 0.887 383 Q CB -0.309 28.430 28.738 0.002 0.000 0.975 383 Q HN 0.796 nan 8.270 nan 0.000 0.413 384 D N -0.458 119.960 120.400 0.031 0.000 2.158 384 D HA -0.238 4.404 4.640 0.002 0.000 0.197 384 D C 1.444 177.774 176.300 0.050 0.000 0.995 384 D CA 1.904 55.930 54.000 0.044 0.000 0.846 384 D CB -0.557 40.274 40.800 0.052 0.000 0.941 384 D HN 0.593 nan 8.370 nan 0.000 0.456 385 E N 0.500 120.731 120.200 0.052 0.000 2.072 385 E HA -0.031 4.320 4.350 0.002 0.000 0.190 385 E C 2.631 179.268 176.600 0.061 0.000 0.982 385 E CA 0.331 56.763 56.400 0.054 0.000 0.803 385 E CB -0.168 29.558 29.700 0.044 0.000 0.755 385 E HN 0.308 nan 8.360 nan 0.000 0.453 386 L N 1.026 122.268 121.223 0.031 0.000 2.079 386 L HA -0.221 4.120 4.340 0.002 0.000 0.210 386 L C 2.510 179.434 176.870 0.089 0.000 1.081 386 L CA 0.928 55.785 54.840 0.028 0.000 0.752 386 L CB -0.487 41.570 42.059 -0.003 0.000 0.896 386 L HN 0.146 nan 8.230 nan 0.000 0.433 387 L N -0.610 120.654 121.223 0.069 0.000 2.046 387 L HA -0.231 4.110 4.340 0.002 0.000 0.208 387 L C 2.351 179.268 176.870 0.078 0.000 1.077 387 L CA 1.206 56.087 54.840 0.067 0.000 0.747 387 L CB -0.731 41.357 42.059 0.048 0.000 0.896 387 L HN 0.336 nan 8.230 nan 0.000 0.432 388 D N -0.676 119.773 120.400 0.082 0.000 2.078 388 D HA -0.247 4.394 4.640 0.002 0.000 0.193 388 D C 1.766 178.118 176.300 0.086 0.000 0.990 388 D CA 1.335 55.376 54.000 0.068 0.000 0.827 388 D CB -0.494 40.344 40.800 0.064 0.000 0.975 388 D HN 0.370 nan 8.370 nan 0.000 0.451 389 W N 1.315 122.571 121.300 -0.073 0.000 2.290 389 W HA -0.209 4.453 4.660 0.002 0.000 0.311 389 W C 1.905 178.361 176.519 -0.105 0.000 1.238 389 W CA 1.061 58.336 57.345 -0.117 0.000 1.255 389 W CB -0.094 29.274 29.460 -0.153 0.000 1.145 389 W HN -0.062 nan 8.180 nan 0.000 0.506 390 L N 0.482 121.846 121.223 0.236 0.000 2.478 390 L HA -0.021 4.320 4.340 0.002 0.000 0.223 390 L C 1.052 177.932 176.870 0.018 0.000 1.140 390 L CA 0.978 55.898 54.840 0.134 0.000 0.842 390 L CB -2.131 40.020 42.059 0.154 0.000 0.953 390 L HN 0.064 nan 8.230 nan 0.000 0.452 391 Q N 1.092 120.892 119.800 0.000 0.000 2.436 391 Q HA 0.194 4.535 4.340 0.002 0.000 0.326 391 Q C 1.238 177.207 176.000 -0.050 0.000 1.079 391 Q CA 1.274 57.064 55.803 -0.021 0.000 1.049 391 Q CB -0.084 28.639 28.738 -0.025 0.000 1.047 391 Q HN 0.475 nan 8.270 nan 0.000 0.386 392 G N 3.159 111.941 108.800 -0.031 0.000 2.217 392 G HA2 -0.209 3.752 3.960 0.002 0.000 0.246 392 G HA3 -0.209 3.752 3.960 0.002 0.000 0.246 392 G C -0.423 174.457 174.900 -0.033 0.000 0.990 392 G CA 0.135 45.214 45.100 -0.036 0.000 0.627 392 G HN 0.616 nan 8.290 nan 0.000 0.522 393 E N 1.613 121.795 120.200 -0.030 0.000 2.259 393 E HA 0.388 4.739 4.350 0.002 0.000 0.281 393 E C -2.403 174.199 176.600 0.002 0.000 1.027 393 E CA -1.627 54.763 56.400 -0.018 0.000 0.838 393 E CB 1.957 31.648 29.700 -0.015 0.000 1.066 393 E HN 0.299 nan 8.360 nan 0.000 0.401 394 P HA 0.331 nan 4.420 nan 0.000 0.219 394 P C -0.775 176.534 177.300 0.016 0.000 1.847 394 P CA -0.421 62.684 63.100 0.009 0.000 1.110 394 P CB 0.229 31.932 31.700 0.004 0.000 1.839 395 R N 0.384 120.898 120.500 0.023 0.000 4.621 395 R HA 0.041 4.382 4.340 0.002 0.000 0.290 395 R C -1.577 174.749 176.300 0.043 0.000 0.783 395 R CA -0.266 55.851 56.100 0.029 0.000 1.218 395 R CB -0.945 29.370 30.300 0.025 0.000 1.509 395 R HN 0.113 nan 8.270 nan 0.000 0.581 396 V N 3.571 123.514 119.914 0.049 0.000 2.325 396 V HA 0.286 4.407 4.120 0.002 0.000 0.280 396 V C 0.077 176.208 176.094 0.063 0.000 1.016 396 V CA -0.717 61.624 62.300 0.068 0.000 0.818 396 V CB 1.728 33.596 31.823 0.076 0.000 1.019 396 V HN 0.410 nan 8.190 nan 0.000 0.434 397 V N 6.997 126.950 119.914 0.065 0.000 2.432 397 V HA 0.411 4.532 4.120 0.002 0.000 0.271 397 V C 0.088 176.229 176.094 0.078 0.000 1.046 397 V CA -0.124 62.212 62.300 0.059 0.000 0.945 397 V CB 1.022 32.874 31.823 0.048 0.000 0.992 397 V HN 0.609 nan 8.190 nan 0.000 0.471 398 L N 6.751 128.019 121.223 0.075 0.000 2.468 398 L HA 0.650 4.991 4.340 0.002 0.000 0.254 398 L C 0.249 177.188 176.870 0.116 0.000 1.171 398 L CA 0.200 55.094 54.840 0.090 0.000 0.809 398 L CB 1.451 43.555 42.059 0.076 0.000 1.155 398 L HN 0.616 nan 8.230 nan 0.000 0.473 399 V N -0.622 119.382 119.914 0.150 0.000 3.304 399 V HA 0.264 4.385 4.120 0.002 0.000 0.287 399 V C -1.014 175.244 176.094 0.273 0.000 1.640 399 V CA -0.687 61.736 62.300 0.204 0.000 1.051 399 V CB 1.728 33.723 31.823 0.286 0.000 1.175 399 V HN 0.922 nan 8.190 nan 0.000 0.475 400 H N 0.970 120.130 119.070 0.152 0.000 3.018 400 H HA -0.001 4.556 4.556 0.002 0.000 0.285 400 H C -0.222 175.164 175.328 0.098 0.000 0.803 400 H CA 2.188 58.320 56.048 0.141 0.000 0.895 400 H CB -0.805 29.072 29.762 0.191 0.000 1.523 400 H HN 2.297 nan 8.280 nan 0.000 0.305 401 G N 3.790 112.649 108.800 0.097 0.000 2.375 401 G HA2 0.003 3.964 3.960 0.002 0.000 0.663 401 G HA3 0.003 3.964 3.960 0.002 0.000 0.663 401 G C -0.930 173.993 174.900 0.039 0.000 1.391 401 G CA -0.371 44.780 45.100 0.086 0.000 0.949 401 G HN 0.547 nan 8.290 nan 0.000 0.646 402 E N 0.223 120.430 120.200 0.012 0.000 2.414 402 E HA 0.118 4.470 4.350 0.002 0.000 0.263 402 E C 1.299 177.908 176.600 0.016 0.000 1.000 402 E CA 0.335 56.737 56.400 0.004 0.000 0.914 402 E CB 1.393 31.085 29.700 -0.014 0.000 0.948 402 E HN 0.653 nan 8.360 nan 0.000 0.444 403 E N 2.910 123.120 120.200 0.016 0.000 2.187 403 E HA -0.307 4.044 4.350 0.002 0.000 0.199 403 E C 0.854 177.463 176.600 0.016 0.000 1.004 403 E CA 1.710 58.122 56.400 0.020 0.000 0.813 403 E CB 0.262 29.971 29.700 0.015 0.000 0.736 403 E HN 0.470 nan 8.360 nan 0.000 0.468 404 E N 0.667 120.872 120.200 0.009 0.000 2.047 404 E HA -0.146 4.205 4.350 0.002 0.000 0.191 404 E C 1.994 178.600 176.600 0.010 0.000 0.987 404 E CA 1.292 57.697 56.400 0.007 0.000 0.799 404 E CB -0.086 29.615 29.700 0.001 0.000 0.752 404 E HN 0.217 nan 8.360 nan 0.000 0.449 405 K N 0.237 120.642 120.400 0.008 0.000 2.026 405 K HA -0.103 4.218 4.320 0.002 0.000 0.208 405 K C 2.021 178.635 176.600 0.024 0.000 1.048 405 K CA 0.990 57.284 56.287 0.011 0.000 0.929 405 K CB -0.250 32.252 32.500 0.003 0.000 0.713 405 K HN -0.009 nan 8.250 nan 0.000 0.439 406 L N 0.858 122.101 121.223 0.033 0.000 2.042 406 L HA -0.187 4.155 4.340 0.002 0.000 0.210 406 L C 2.265 179.156 176.870 0.035 0.000 1.076 406 L CA 1.235 56.100 54.840 0.043 0.000 0.749 406 L CB -0.666 41.425 42.059 0.053 0.000 0.893 406 L HN 0.126 nan 8.230 nan 0.000 0.432 407 L N -0.736 120.504 121.223 0.029 0.000 2.083 407 L HA -0.139 4.202 4.340 0.002 0.000 0.209 407 L C 2.475 179.359 176.870 0.023 0.000 1.083 407 L CA 1.902 56.756 54.840 0.025 0.000 0.752 407 L CB -0.951 41.120 42.059 0.020 0.000 0.899 407 L HN 0.228 nan 8.230 nan 0.000 0.433 408 A N -0.868 121.964 122.820 0.021 0.000 1.841 408 A HA -0.200 4.121 4.320 0.002 0.000 0.214 408 A C 2.211 179.809 177.584 0.023 0.000 1.195 408 A CA 1.750 53.799 52.037 0.020 0.000 0.611 408 A CB -1.082 17.928 19.000 0.017 0.000 0.835 408 A HN 0.405 nan 8.150 nan 0.000 0.443 409 L N 0.371 121.609 121.223 0.026 0.000 2.081 409 L HA -0.098 4.243 4.340 0.002 0.000 0.212 409 L C 2.323 179.212 176.870 0.032 0.000 1.080 409 L CA 2.438 57.296 54.840 0.030 0.000 0.754 409 L CB -1.024 41.056 42.059 0.034 0.000 0.893 409 L HN 0.319 nan 8.230 nan 0.000 0.433 410 G N -0.920 107.899 108.800 0.032 0.000 2.418 410 G HA2 -0.319 3.642 3.960 0.002 0.000 0.217 410 G HA3 -0.319 3.642 3.960 0.002 0.000 0.217 410 G C 1.671 176.588 174.900 0.027 0.000 1.158 410 G CA 0.790 45.909 45.100 0.032 0.000 0.771 410 G HN 0.466 nan 8.290 nan 0.000 0.545 411 K N 0.026 120.440 120.400 0.024 0.000 2.034 411 K HA -0.122 4.199 4.320 0.002 0.000 0.214 411 K C 2.532 179.145 176.600 0.021 0.000 1.051 411 K CA 1.447 57.746 56.287 0.021 0.000 0.931 411 K CB -0.346 32.165 32.500 0.019 0.000 0.715 411 K HN 0.341 nan 8.250 nan 0.000 0.446 412 L N 1.024 122.261 121.223 0.023 0.000 1.989 412 L HA -0.235 4.106 4.340 0.002 0.000 0.211 412 L C 2.436 179.320 176.870 0.024 0.000 1.071 412 L CA 1.334 56.188 54.840 0.023 0.000 0.749 412 L CB -0.530 41.544 42.059 0.026 0.000 0.890 412 L HN 0.255 nan 8.230 nan 0.000 0.431 413 L N -0.462 120.778 121.223 0.028 0.000 2.189 413 L HA -0.266 4.075 4.340 0.002 0.000 0.214 413 L C 2.762 179.646 176.870 0.024 0.000 1.097 413 L CA 1.134 55.991 54.840 0.029 0.000 0.764 413 L CB -0.964 41.116 42.059 0.036 0.000 0.900 413 L HN 0.317 nan 8.230 nan 0.000 0.436 414 A N 0.465 123.298 122.820 0.022 0.000 1.929 414 A HA -0.052 4.269 4.320 0.002 0.000 0.216 414 A C 2.182 179.776 177.584 0.016 0.000 1.176 414 A CA 0.879 52.927 52.037 0.018 0.000 0.628 414 A CB -0.539 18.471 19.000 0.017 0.000 0.816 414 A HN 0.398 nan 8.150 nan 0.000 0.444 415 L N -1.100 120.133 121.223 0.016 0.000 2.450 415 L HA -0.080 4.261 4.340 0.002 0.000 0.224 415 L C 2.507 179.386 176.870 0.014 0.000 1.149 415 L CA 1.290 56.139 54.840 0.015 0.000 0.816 415 L CB -0.448 41.621 42.059 0.016 0.000 0.932 415 L HN 0.396 nan 8.230 nan 0.000 0.449 416 R N 0.219 120.728 120.500 0.015 0.000 2.290 416 R HA 0.080 4.421 4.340 0.002 0.000 0.197 416 R C 1.311 177.618 176.300 0.011 0.000 0.913 416 R CA 0.690 56.798 56.100 0.014 0.000 1.040 416 R CB 0.377 30.686 30.300 0.016 0.000 0.992 416 R HN 0.356 nan 8.270 nan 0.000 0.500 417 G N 0.649 109.456 108.800 0.012 0.000 2.176 417 G HA2 -0.268 3.693 3.960 0.002 0.000 0.232 417 G HA3 -0.268 3.693 3.960 0.002 0.000 0.232 417 G C -0.275 174.632 174.900 0.011 0.000 0.986 417 G CA -0.128 44.978 45.100 0.010 0.000 0.643 417 G HN 0.396 nan 8.290 nan 0.000 0.522 418 Q N 0.183 119.991 119.800 0.014 0.000 2.288 418 Q HA 0.409 4.750 4.340 0.002 0.000 0.254 418 Q C 0.359 176.370 176.000 0.019 0.000 0.932 418 Q CA -0.232 55.581 55.803 0.017 0.000 0.902 418 Q CB 1.086 29.837 28.738 0.022 0.000 1.203 418 Q HN 0.410 nan 8.270 nan 0.000 0.415 419 E N 2.941 123.152 120.200 0.019 0.000 2.346 419 E HA 0.051 4.402 4.350 0.002 0.000 0.317 419 E C -0.159 176.456 176.600 0.024 0.000 1.404 419 E CA -0.333 56.078 56.400 0.019 0.000 1.534 419 E CB 0.164 29.874 29.700 0.016 0.000 1.309 419 E HN 0.386 nan 8.360 nan 0.000 0.499 420 V N 1.805 121.736 119.914 0.027 0.000 3.803 420 V HA 0.056 4.177 4.120 0.002 0.000 0.300 420 V C 0.010 176.122 176.094 0.030 0.000 1.111 420 V CA 1.008 63.328 62.300 0.033 0.000 1.189 420 V CB 1.331 33.174 31.823 0.033 0.000 1.118 420 V HN 0.596 nan 8.190 nan 0.000 0.486 421 S N 1.088 116.808 115.700 0.034 0.000 2.710 421 S HA 0.444 4.915 4.470 0.002 0.000 0.274 421 S C -1.877 172.745 174.600 0.037 0.000 1.029 421 S CA -0.611 57.608 58.200 0.030 0.000 0.864 421 S CB 0.475 63.691 63.200 0.026 0.000 1.103 421 S HN 0.721 nan 8.310 nan 0.000 0.460 422 L N 2.268 123.511 121.223 0.033 0.000 2.322 422 L HA 0.945 5.286 4.340 0.002 0.000 0.269 422 L C 0.574 177.465 176.870 0.035 0.000 1.012 422 L CA -0.168 54.696 54.840 0.040 0.000 0.815 422 L CB 1.430 43.511 42.059 0.038 0.000 1.295 422 L HN 0.928 nan 8.230 nan 0.000 0.438 423 A N 1.646 124.492 122.820 0.043 0.000 2.293 423 A HA 0.798 5.119 4.320 0.002 0.000 0.302 423 A C -0.340 177.259 177.584 0.025 0.000 1.119 423 A CA -0.503 51.550 52.037 0.027 0.000 0.823 423 A CB 0.502 19.524 19.000 0.036 0.000 1.097 423 A HN 0.663 nan 8.150 nan 0.000 0.491 424 R N 0.885 121.387 120.500 0.004 0.000 2.439 424 R HA 0.287 4.628 4.340 0.002 0.000 0.310 424 R C -0.965 175.352 176.300 0.028 0.000 0.955 424 R CA -0.518 55.602 56.100 0.033 0.000 0.853 424 R CB 1.652 31.968 30.300 0.026 0.000 1.171 424 R HN 0.750 nan 8.270 nan 0.000 0.449 425 F N 1.680 121.591 119.950 -0.065 0.000 2.637 425 F HA -0.119 4.409 4.527 0.002 0.000 0.372 425 F C 1.575 177.292 175.800 -0.139 0.000 1.107 425 F CA 2.380 60.331 58.000 -0.082 0.000 1.325 425 F CB 0.569 39.566 39.000 -0.005 0.000 1.016 425 F HN 0.919 nan 8.300 nan 0.000 0.593 426 G N 3.305 111.712 108.800 -0.654 0.000 2.448 426 G HA2 -0.412 3.550 3.960 0.002 0.000 0.257 426 G HA3 -0.412 3.550 3.960 0.002 0.000 0.257 426 G C 0.407 175.110 174.900 -0.328 0.000 0.997 426 G CA 0.680 45.482 45.100 -0.498 0.000 0.635 426 G HN 0.853 nan 8.290 nan 0.000 0.556 427 E N 1.315 121.398 120.200 -0.195 0.000 2.180 427 E HA 0.488 4.839 4.350 0.002 0.000 0.283 427 E C 1.116 177.611 176.600 -0.175 0.000 1.061 427 E CA 0.013 56.338 56.400 -0.125 0.000 0.861 427 E CB 0.048 29.719 29.700 -0.048 0.000 1.056 427 E HN 0.388 nan 8.360 nan 0.000 0.407 428 G N 2.504 111.212 108.800 -0.153 0.000 2.569 428 G HA2 0.354 4.316 3.960 0.002 0.000 0.249 428 G HA3 0.354 4.316 3.960 0.002 0.000 0.249 428 G C -0.587 174.264 174.900 -0.082 0.000 1.216 428 G CA -0.470 44.547 45.100 -0.138 0.000 0.845 428 G HN 0.418 nan 8.290 nan 0.000 0.568 429 V N 3.030 122.903 119.914 -0.070 0.000 2.540 429 V HA 0.456 4.577 4.120 0.002 0.000 0.302 429 V C -1.823 174.254 176.094 -0.029 0.000 1.035 429 V CA -1.371 60.906 62.300 -0.038 0.000 0.873 429 V CB 2.174 33.980 31.823 -0.028 0.000 0.992 429 V HN 0.736 nan 8.190 nan 0.000 0.428 430 P HA 0.434 nan 4.420 nan 0.000 0.276 430 P C -0.076 177.221 177.300 -0.005 0.000 1.261 430 P CA 0.169 63.262 63.100 -0.012 0.000 0.800 430 P CB 1.416 33.111 31.700 -0.008 0.000 1.066 431 V N 0.000 119.912 119.914 -0.003 0.000 2.409 431 V HA 0.000 4.121 4.120 0.002 0.000 0.244 431 V CA 0.000 62.302 62.300 0.003 0.000 1.235 431 V CB 0.000 31.826 31.823 0.005 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556