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 1e79_1_B DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.004 0.000 1.274 19 A CA 0.000 52.039 52.037 0.004 0.000 0.836 19 A CB 0.000 19.003 19.000 0.004 0.000 0.831 20 D N 0.612 121.015 120.400 0.005 0.000 2.361 20 D HA 0.483 5.123 4.640 0.000 0.000 0.239 20 D C 0.713 177.015 176.300 0.003 0.000 1.200 20 D CA 1.349 55.352 54.000 0.005 0.000 0.915 20 D CB 0.920 41.724 40.800 0.006 0.000 1.170 20 D HN 0.182 nan 8.370 nan 0.000 0.444 21 T N -1.992 112.564 114.554 0.003 0.000 3.253 21 T HA 0.122 4.472 4.350 0.000 0.000 0.299 21 T C 0.646 175.348 174.700 0.003 0.000 0.927 21 T CA -0.387 61.714 62.100 0.002 0.000 0.926 21 T CB 0.184 69.054 68.868 0.002 0.000 1.183 21 T HN 0.359 nan 8.240 nan 0.000 0.557 22 S N 0.525 116.227 115.700 0.004 0.000 3.831 22 S HA 0.689 5.159 4.470 0.000 0.000 0.222 22 S C 0.309 174.912 174.600 0.004 0.000 1.036 22 S CA -0.716 57.487 58.200 0.004 0.000 1.519 22 S CB -0.184 63.020 63.200 0.006 0.000 1.039 22 S HN 0.064 nan 8.310 nan 0.000 0.690 23 V N 2.826 122.744 119.914 0.006 0.000 2.814 23 V HA 0.142 4.262 4.120 0.000 0.000 0.307 23 V C -0.022 176.074 176.094 0.003 0.000 1.089 23 V CA 0.418 62.722 62.300 0.006 0.000 1.212 23 V CB -0.162 31.668 31.823 0.013 0.000 0.912 23 V HN 0.780 nan 8.190 nan 0.000 0.497 24 D N 3.538 123.936 120.400 -0.003 0.000 2.414 24 D HA 0.339 4.979 4.640 0.000 0.000 0.232 24 D C 0.215 176.504 176.300 -0.019 0.000 1.070 24 D CA -0.320 53.674 54.000 -0.010 0.000 0.839 24 D CB 1.380 42.173 40.800 -0.013 0.000 1.079 24 D HN 0.454 nan 8.370 nan 0.000 0.521 25 L N 3.072 124.279 121.223 -0.027 0.000 2.685 25 L HA 0.238 4.578 4.340 0.000 0.000 0.233 25 L C 1.664 178.495 176.870 -0.065 0.000 1.173 25 L CA 0.027 54.836 54.840 -0.052 0.000 0.961 25 L CB 0.285 42.302 42.059 -0.070 0.000 1.217 25 L HN 0.388 nan 8.230 nan 0.000 0.478 26 E N -0.003 120.169 120.200 -0.047 0.000 2.166 26 E HA -0.055 4.295 4.350 0.000 0.000 0.192 26 E C 1.202 177.775 176.600 -0.044 0.000 0.967 26 E CA 0.510 56.883 56.400 -0.045 0.000 0.840 26 E CB 0.518 30.199 29.700 -0.032 0.000 0.795 26 E HN 0.324 nan 8.360 nan 0.000 0.470 27 E N -0.189 119.987 120.200 -0.040 0.000 2.489 27 E HA 0.145 4.495 4.350 0.000 0.000 0.204 27 E C 0.024 176.595 176.600 -0.049 0.000 1.006 27 E CA 0.316 56.693 56.400 -0.040 0.000 0.936 27 E CB 1.398 31.080 29.700 -0.030 0.000 1.002 27 E HN -0.056 nan 8.360 nan 0.000 0.488 28 T N -0.374 114.149 114.554 -0.052 0.000 2.896 28 T HA 0.700 5.050 4.350 0.000 0.000 0.297 28 T C -0.233 174.431 174.700 -0.061 0.000 1.108 28 T CA -0.444 61.623 62.100 -0.056 0.000 1.004 28 T CB 2.326 71.172 68.868 -0.037 0.000 1.159 28 T HN 0.132 nan 8.240 nan 0.000 0.499 29 G N 0.140 108.903 108.800 -0.062 0.000 2.921 29 G HA2 0.600 4.560 3.960 0.000 0.000 0.291 29 G HA3 0.600 4.560 3.960 0.000 0.000 0.291 29 G C -0.161 174.739 174.900 0.000 0.000 1.370 29 G CA -0.459 44.616 45.100 -0.041 0.000 0.847 29 G HN 0.544 nan 8.290 nan 0.000 0.532 30 R N -1.343 119.189 120.500 0.052 0.000 2.612 30 R HA 0.282 4.622 4.340 0.000 0.000 0.260 30 R C -0.521 175.826 176.300 0.079 0.000 0.943 30 R CA 0.646 56.786 56.100 0.066 0.000 1.036 30 R CB 0.473 30.826 30.300 0.088 0.000 1.520 30 R HN 1.103 nan 8.270 nan 0.000 0.563 31 V N 2.594 122.565 119.914 0.095 0.000 3.283 31 V HA -0.195 3.925 4.120 0.000 0.000 0.461 31 V C 0.911 177.051 176.094 0.076 0.000 0.682 31 V CA 0.503 62.868 62.300 0.109 0.000 1.989 31 V CB -1.104 30.808 31.823 0.147 0.000 2.451 31 V HN 0.258 nan 8.190 nan 0.000 0.496 32 L N 2.568 123.832 121.223 0.068 0.000 2.209 32 L HA 0.229 4.569 4.340 0.000 0.000 0.207 32 L C 0.965 177.851 176.870 0.026 0.000 1.094 32 L CA 1.614 56.477 54.840 0.037 0.000 0.790 32 L CB 0.328 42.411 42.059 0.040 0.000 0.932 32 L HN 0.991 nan 8.230 nan 0.000 0.447 33 S N -1.056 114.664 115.700 0.034 0.000 2.578 33 S HA 0.607 5.077 4.470 0.000 0.000 0.272 33 S C -1.129 173.482 174.600 0.018 0.000 1.145 33 S CA -0.876 57.335 58.200 0.019 0.000 0.835 33 S CB 2.328 65.533 63.200 0.009 0.000 1.104 33 S HN 0.003 nan 8.310 nan 0.000 0.458 34 I N -0.039 120.531 120.570 0.000 0.000 2.680 34 I HA 0.852 5.022 4.170 0.000 0.000 0.291 34 I C -0.434 175.665 176.117 -0.029 0.000 1.244 34 I CA 0.804 62.092 61.300 -0.019 0.000 1.042 34 I CB 1.501 39.483 38.000 -0.031 0.000 1.277 34 I HN 1.637 nan 8.210 nan 0.000 0.423 35 G N 4.306 113.082 108.800 -0.039 0.000 2.358 35 G HA2 0.381 4.341 3.960 0.000 0.000 0.303 35 G HA3 0.381 4.341 3.960 0.000 0.000 0.303 35 G C -1.082 173.793 174.900 -0.042 0.000 1.537 35 G CA -0.256 44.821 45.100 -0.039 0.000 0.928 35 G HN 0.790 nan 8.290 nan 0.000 0.656 36 D N -1.030 119.345 120.400 -0.042 0.000 2.870 36 D HA -0.065 4.575 4.640 0.000 0.000 0.228 36 D C 1.818 178.083 176.300 -0.058 0.000 1.147 36 D CA 3.398 57.370 54.000 -0.046 0.000 0.757 36 D CB -1.194 39.581 40.800 -0.043 0.000 1.091 36 D HN 2.303 nan 8.370 nan 0.000 0.429 37 G N -1.543 107.219 108.800 -0.064 0.000 2.328 37 G HA2 -0.332 3.628 3.960 0.000 0.000 0.256 37 G HA3 -0.332 3.628 3.960 0.000 0.000 0.256 37 G C 0.321 175.167 174.900 -0.091 0.000 1.014 37 G CA 0.501 45.554 45.100 -0.078 0.000 0.620 37 G HN 0.478 nan 8.290 nan 0.000 0.530 38 I N 1.587 122.113 120.570 -0.074 0.000 2.412 38 I HA 0.704 4.874 4.170 0.000 0.000 0.296 38 I C 0.598 176.693 176.117 -0.037 0.000 0.987 38 I CA -0.825 60.438 61.300 -0.062 0.000 1.180 38 I CB 1.376 39.345 38.000 -0.052 0.000 1.340 38 I HN 0.397 nan 8.210 nan 0.000 0.455 39 A N 7.557 130.372 122.820 -0.009 0.000 2.292 39 A HA 0.702 5.022 4.320 0.000 0.000 0.319 39 A C -0.149 177.476 177.584 0.069 0.000 1.206 39 A CA -0.742 51.323 52.037 0.046 0.000 0.835 39 A CB 0.719 19.790 19.000 0.118 0.000 1.164 39 A HN 0.584 nan 8.150 nan 0.000 0.505 40 R N 1.745 122.281 120.500 0.059 0.000 2.265 40 R HA 0.506 4.846 4.340 0.000 0.000 0.319 40 R C -1.027 175.318 176.300 0.076 0.000 1.006 40 R CA -0.424 55.709 56.100 0.054 0.000 0.880 40 R CB 1.184 31.506 30.300 0.037 0.000 1.077 40 R HN 0.429 nan 8.270 nan 0.000 0.454 41 V N 2.834 122.787 119.914 0.065 0.000 2.495 41 V HA 0.191 4.311 4.120 0.000 0.000 0.298 41 V C -0.113 176.024 176.094 0.072 0.000 1.031 41 V CA -1.012 61.327 62.300 0.065 0.000 0.871 41 V CB 1.584 33.418 31.823 0.018 0.000 0.988 41 V HN 0.709 nan 8.190 nan 0.000 0.432 42 H N 2.791 121.860 119.070 -0.001 0.000 2.580 42 H HA 0.654 5.210 4.556 0.000 0.000 0.322 42 H C 0.520 175.840 175.328 -0.014 0.000 1.082 42 H CA 1.413 57.458 56.048 -0.005 0.000 1.383 42 H CB 0.958 30.719 29.762 -0.002 0.000 1.450 42 H HN 1.112 nan 8.280 nan 0.000 0.505 43 G N 3.090 111.586 108.800 -0.506 0.000 2.513 43 G HA2 -0.220 3.740 3.960 0.000 0.000 0.227 43 G HA3 -0.220 3.740 3.960 0.000 0.000 0.227 43 G C 0.054 174.852 174.900 -0.170 0.000 1.176 43 G CA -0.393 44.509 45.100 -0.329 0.000 0.967 43 G HN 1.174 nan 8.290 nan 0.000 0.587 44 L N -0.236 120.917 121.223 -0.118 0.000 3.858 44 L HA -0.239 4.101 4.340 0.000 0.000 0.425 44 L C 2.354 179.178 176.870 -0.075 0.000 1.177 44 L CA 0.881 55.669 54.840 -0.087 0.000 0.943 44 L CB -0.813 41.197 42.059 -0.081 0.000 1.861 44 L HN 0.627 nan 8.230 nan 0.000 0.985 45 R N 0.308 120.758 120.500 -0.083 0.000 2.204 45 R HA -0.152 4.188 4.340 0.000 0.000 0.253 45 R C 1.317 177.590 176.300 -0.046 0.000 1.172 45 R CA 1.710 57.769 56.100 -0.068 0.000 0.994 45 R CB -0.373 29.886 30.300 -0.068 0.000 0.874 45 R HN 0.575 nan 8.270 nan 0.000 0.462 46 N N -0.167 118.508 118.700 -0.042 0.000 2.203 46 N HA 0.013 4.753 4.740 0.000 0.000 0.207 46 N C -0.010 175.485 175.510 -0.026 0.000 1.130 46 N CA 0.009 53.041 53.050 -0.030 0.000 0.861 46 N CB 0.492 38.963 38.487 -0.026 0.000 1.005 46 N HN 0.017 nan 8.380 nan 0.000 0.507 47 V N -0.886 119.009 119.914 -0.031 0.000 3.096 47 V HA 0.162 4.282 4.120 0.000 0.000 0.306 47 V C 0.368 176.454 176.094 -0.014 0.000 1.088 47 V CA -0.546 61.739 62.300 -0.025 0.000 1.129 47 V CB 0.589 32.394 31.823 -0.030 0.000 1.014 47 V HN 0.061 nan 8.190 nan 0.000 0.486 48 Q N 1.672 121.469 119.800 -0.006 0.000 2.226 48 Q HA 0.700 5.040 4.340 0.000 0.000 0.256 48 Q C 0.047 176.052 176.000 0.007 0.000 0.962 48 Q CA -0.526 55.278 55.803 0.001 0.000 0.887 48 Q CB 1.766 30.508 28.738 0.005 0.000 1.282 48 Q HN 1.150 nan 8.270 nan 0.000 0.449 49 A N 1.858 124.684 122.820 0.010 0.000 2.524 49 A HA 0.090 4.410 4.320 0.000 0.000 0.250 49 A C 0.028 177.628 177.584 0.026 0.000 1.078 49 A CA 0.318 52.365 52.037 0.017 0.000 0.761 49 A CB -0.251 18.760 19.000 0.018 0.000 1.012 49 A HN 0.968 nan 8.150 nan 0.000 0.500 50 E N -0.479 119.743 120.200 0.035 0.000 3.303 50 E HA -0.171 4.179 4.350 0.000 0.000 0.302 50 E C 0.046 176.680 176.600 0.057 0.000 0.902 50 E CA 1.142 57.573 56.400 0.052 0.000 1.042 50 E CB -1.315 28.413 29.700 0.046 0.000 1.528 50 E HN 0.923 nan 8.360 nan 0.000 0.424 51 E N 0.690 120.916 120.200 0.044 0.000 2.301 51 E HA 0.345 4.695 4.350 0.000 0.000 0.275 51 E C -0.173 176.464 176.600 0.061 0.000 1.030 51 E CA -0.619 55.806 56.400 0.041 0.000 0.852 51 E CB 0.792 30.503 29.700 0.018 0.000 1.060 51 E HN 0.039 nan 8.360 nan 0.000 0.401 52 M N 4.813 124.457 119.600 0.073 0.000 2.217 52 M HA 0.175 4.655 4.480 0.000 0.000 0.354 52 M C -1.066 175.264 176.300 0.051 0.000 1.225 52 M CA -0.232 55.130 55.300 0.104 0.000 1.137 52 M CB 0.979 33.647 32.600 0.113 0.000 1.576 52 M HN 0.344 nan 8.290 nan 0.000 0.461 53 V N 1.458 121.398 119.914 0.043 0.000 3.046 53 V HA 0.749 4.869 4.120 0.000 0.000 0.316 53 V C -0.893 175.171 176.094 -0.051 0.000 1.104 53 V CA -0.867 61.400 62.300 -0.056 0.000 1.006 53 V CB 2.115 33.838 31.823 -0.166 0.000 1.058 53 V HN 0.825 nan 8.190 nan 0.000 0.440 54 E N 0.950 121.064 120.200 -0.143 0.000 2.234 54 E HA 0.554 4.904 4.350 0.000 0.000 0.266 54 E C -1.783 174.704 176.600 -0.188 0.000 0.877 54 E CA -0.422 55.945 56.400 -0.055 0.000 0.758 54 E CB 2.381 32.083 29.700 0.003 0.000 1.170 54 E HN 0.622 nan 8.360 nan 0.000 0.415 55 F N 1.037 121.004 119.950 0.028 0.000 2.375 55 F HA 0.037 4.564 4.527 0.000 0.000 0.333 55 F C 1.971 177.783 175.800 0.021 0.000 1.104 55 F CA -0.198 57.815 58.000 0.021 0.000 1.149 55 F CB 1.296 40.308 39.000 0.019 0.000 1.190 55 F HN 0.491 nan 8.300 nan 0.000 0.533 56 S N -0.529 115.274 115.700 0.171 0.000 2.423 56 S HA -0.240 4.230 4.470 0.000 0.000 0.238 56 S C 1.722 176.387 174.600 0.108 0.000 1.028 56 S CA 1.344 59.606 58.200 0.104 0.000 1.000 56 S CB -0.953 62.297 63.200 0.084 0.000 0.797 56 S HN 0.684 nan 8.310 nan 0.000 0.487 57 S N 0.340 116.127 115.700 0.144 0.000 2.607 57 S HA 0.438 4.908 4.470 0.000 0.000 0.224 57 S C 1.623 176.281 174.600 0.096 0.000 0.969 57 S CA 0.414 58.673 58.200 0.098 0.000 0.927 57 S CB -0.593 62.651 63.200 0.072 0.000 0.772 57 S HN 1.451 nan 8.310 nan 0.000 0.533 58 G N 0.151 109.024 108.800 0.122 0.000 2.176 58 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 58 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 58 G C -0.123 174.855 174.900 0.130 0.000 0.979 58 G CA 0.140 45.302 45.100 0.104 0.000 0.641 58 G HN 0.512 nan 8.290 nan 0.000 0.530 59 L N 0.686 122.009 121.223 0.167 0.000 2.452 59 L HA 0.706 5.046 4.340 0.000 0.000 0.267 59 L C 0.649 177.699 176.870 0.300 0.000 1.188 59 L CA 0.136 55.081 54.840 0.174 0.000 0.821 59 L CB 0.825 42.923 42.059 0.066 0.000 1.102 59 L HN 0.236 nan 8.230 nan 0.000 0.470 60 K N 0.625 121.198 120.400 0.290 0.000 2.221 60 K HA 0.823 5.143 4.320 0.000 0.000 0.243 60 K C -0.516 176.329 176.600 0.409 0.000 0.968 60 K CA -0.531 55.969 56.287 0.354 0.000 0.846 60 K CB 1.805 34.483 32.500 0.297 0.000 1.141 60 K HN 0.789 nan 8.250 nan 0.000 0.434 61 G N 0.628 109.652 108.800 0.374 0.000 2.684 61 G HA2 0.533 4.493 3.960 0.000 0.000 0.290 61 G HA3 0.533 4.493 3.960 0.000 0.000 0.290 61 G C -1.796 173.169 174.900 0.110 0.000 1.425 61 G CA -0.768 44.431 45.100 0.166 0.000 0.822 61 G HN 0.512 nan 8.290 nan 0.000 0.482 62 M N 1.031 120.589 119.600 -0.070 0.000 2.311 62 M HA 0.545 5.025 4.480 0.000 0.000 0.325 62 M C -0.483 175.823 176.300 0.010 0.000 1.061 62 M CA -0.555 54.771 55.300 0.044 0.000 0.957 62 M CB 1.714 34.384 32.600 0.116 0.000 1.646 62 M HN 0.349 nan 8.290 nan 0.000 0.434 63 S N 5.094 120.812 115.700 0.030 0.000 2.429 63 S HA 0.099 4.569 4.470 0.000 0.000 0.292 63 S C 0.479 175.089 174.600 0.017 0.000 1.183 63 S CA -0.574 57.634 58.200 0.014 0.000 1.088 63 S CB 0.548 63.752 63.200 0.007 0.000 1.018 63 S HN 0.709 nan 8.310 nan 0.000 0.511 64 L N 4.628 125.855 121.223 0.006 0.000 2.185 64 L HA 0.316 4.656 4.340 0.000 0.000 0.198 64 L C 0.215 177.091 176.870 0.010 0.000 1.079 64 L CA 1.411 56.256 54.840 0.009 0.000 0.780 64 L CB -0.211 41.842 42.059 -0.010 0.000 0.955 64 L HN 0.520 nan 8.230 nan 0.000 0.462 65 N N 0.587 119.288 118.700 0.003 0.000 2.437 65 N HA 0.381 5.121 4.740 0.000 0.000 0.259 65 N C -1.281 174.230 175.510 0.002 0.000 0.983 65 N CA -0.278 52.774 53.050 0.003 0.000 0.937 65 N CB 1.037 39.524 38.487 -0.002 0.000 1.122 65 N HN 0.124 nan 8.380 nan 0.000 0.499 66 L N 2.566 123.790 121.223 0.002 0.000 2.272 66 L HA 0.338 4.678 4.340 0.000 0.000 0.284 66 L C 0.234 177.103 176.870 -0.002 0.000 1.045 66 L CA -0.182 54.657 54.840 -0.002 0.000 0.842 66 L CB 0.423 42.480 42.059 -0.003 0.000 1.224 66 L HN 0.465 nan 8.230 nan 0.000 0.430 67 E N 3.460 123.658 120.200 -0.003 0.000 2.232 67 E HA 0.309 4.659 4.350 0.000 0.000 0.264 67 E C -1.612 174.987 176.600 -0.003 0.000 0.973 67 E CA -1.773 54.627 56.400 -0.000 0.000 0.849 67 E CB 1.613 31.315 29.700 0.004 0.000 1.198 67 E HN 0.266 nan 8.360 nan 0.000 0.407 68 P HA -0.167 nan 4.420 nan 0.000 0.216 68 P C 0.202 177.502 177.300 0.001 0.000 1.150 68 P CA 1.386 64.485 63.100 -0.001 0.000 0.843 68 P CB 0.159 31.861 31.700 0.004 0.000 0.787 69 D N -2.249 118.158 120.400 0.012 0.000 2.563 69 D HA 0.098 4.738 4.640 0.000 0.000 0.237 69 D C -0.139 176.187 176.300 0.043 0.000 1.282 69 D CA -0.416 53.602 54.000 0.031 0.000 0.816 69 D CB -0.856 39.974 40.800 0.049 0.000 1.066 69 D HN 0.325 nan 8.370 nan 0.000 0.501 70 N N -1.700 117.010 118.700 0.016 0.000 3.545 70 N HA 0.316 5.056 4.740 0.000 0.000 0.227 70 N C -2.202 173.310 175.510 0.002 0.000 1.380 70 N CA -0.910 52.152 53.050 0.021 0.000 0.892 70 N CB 1.246 39.760 38.487 0.045 0.000 1.441 70 N HN -0.196 nan 8.380 nan 0.000 0.497 71 V N 0.114 120.029 119.914 0.002 0.000 2.487 71 V HA 0.817 4.937 4.120 0.000 0.000 0.298 71 V C 0.563 176.664 176.094 0.013 0.000 1.028 71 V CA -0.433 61.867 62.300 -0.001 0.000 0.860 71 V CB 1.333 33.147 31.823 -0.016 0.000 0.991 71 V HN 0.896 nan 8.190 nan 0.000 0.427 72 G N 3.479 112.284 108.800 0.009 0.000 2.320 72 G HA2 0.562 4.522 3.960 0.000 0.000 0.300 72 G HA3 0.562 4.522 3.960 0.000 0.000 0.300 72 G C -0.821 174.084 174.900 0.009 0.000 1.126 72 G CA -0.257 44.849 45.100 0.010 0.000 0.896 72 G HN 0.539 nan 8.290 nan 0.000 0.436 73 V N 2.995 122.926 119.914 0.028 0.000 2.555 73 V HA 0.313 4.433 4.120 0.000 0.000 0.302 73 V C 0.065 176.139 176.094 -0.032 0.000 1.038 73 V CA -0.787 61.531 62.300 0.031 0.000 0.887 73 V CB 1.966 33.881 31.823 0.153 0.000 0.991 73 V HN 0.517 nan 8.190 nan 0.000 0.434 74 V N 5.405 125.244 119.914 -0.125 0.000 2.408 74 V HA 0.239 4.359 4.120 0.000 0.000 0.267 74 V C 0.119 175.966 176.094 -0.412 0.000 1.047 74 V CA -0.354 61.793 62.300 -0.255 0.000 0.937 74 V CB 1.475 33.119 31.823 -0.299 0.000 0.999 74 V HN 0.623 nan 8.190 nan 0.000 0.472 75 V N 6.372 126.099 119.914 -0.312 0.000 2.432 75 V HA 0.273 4.393 4.120 0.000 0.000 0.271 75 V C 0.065 176.025 176.094 -0.223 0.000 1.046 75 V CA -0.248 61.881 62.300 -0.286 0.000 0.945 75 V CB 0.730 32.385 31.823 -0.281 0.000 0.992 75 V HN 0.695 nan 8.190 nan 0.000 0.471 76 F N 4.673 124.649 119.950 0.043 0.000 2.669 76 F HA 0.638 5.165 4.527 0.000 0.000 0.353 76 F C 1.094 176.911 175.800 0.028 0.000 1.192 76 F CA -0.023 58.011 58.000 0.057 0.000 1.317 76 F CB 0.021 39.072 39.000 0.084 0.000 1.652 76 F HN 0.698 nan 8.300 nan 0.000 0.608 77 G N 0.075 108.953 108.800 0.131 0.000 2.323 77 G HA2 0.031 3.991 3.960 0.000 0.000 0.291 77 G HA3 0.031 3.991 3.960 0.000 0.000 0.291 77 G C -1.418 173.483 174.900 0.002 0.000 1.278 77 G CA -1.213 43.928 45.100 0.068 0.000 0.860 77 G HN -0.044 nan 8.290 nan 0.000 0.504 78 N N 0.807 119.501 118.700 -0.011 0.000 2.497 78 N HA 0.228 4.968 4.740 0.000 0.000 0.268 78 N C 0.467 175.931 175.510 -0.075 0.000 1.171 78 N CA -0.259 52.772 53.050 -0.032 0.000 0.948 78 N CB 1.475 39.952 38.487 -0.017 0.000 1.069 78 N HN 0.453 nan 8.380 nan 0.000 0.460 79 D N 1.349 121.700 120.400 -0.082 0.000 2.144 79 D HA -0.194 4.446 4.640 0.000 0.000 0.199 79 D C 1.611 177.857 176.300 -0.090 0.000 0.984 79 D CA 1.210 55.144 54.000 -0.110 0.000 0.834 79 D CB 0.029 40.777 40.800 -0.086 0.000 0.955 79 D HN 0.670 nan 8.370 nan 0.000 0.465 80 K N 0.847 121.212 120.400 -0.058 0.000 2.442 80 K HA -0.126 4.194 4.320 0.000 0.000 0.200 80 K C 1.209 177.784 176.600 -0.041 0.000 1.045 80 K CA 0.866 57.129 56.287 -0.041 0.000 0.937 80 K CB -0.245 32.240 32.500 -0.025 0.000 0.757 80 K HN 0.226 nan 8.250 nan 0.000 0.474 81 L N 1.075 122.262 121.223 -0.059 0.000 2.653 81 L HA 0.349 4.689 4.340 0.000 0.000 0.231 81 L C 0.231 177.063 176.870 -0.064 0.000 1.153 81 L CA -0.258 54.553 54.840 -0.048 0.000 0.933 81 L CB 0.192 42.226 42.059 -0.041 0.000 1.175 81 L HN 0.136 nan 8.230 nan 0.000 0.473 82 I N 0.005 120.520 120.570 -0.091 0.000 2.545 82 I HA 0.311 4.481 4.170 0.000 0.000 0.292 82 I C -0.543 175.556 176.117 -0.029 0.000 1.040 82 I CA -0.462 60.788 61.300 -0.083 0.000 1.068 82 I CB 2.111 39.964 38.000 -0.246 0.000 1.251 82 I HN -0.019 nan 8.210 nan 0.000 0.424 83 K N 4.391 124.802 120.400 0.018 0.000 2.385 83 K HA 0.364 4.684 4.320 0.000 0.000 0.248 83 K C -0.825 175.799 176.600 0.040 0.000 0.955 83 K CA -0.965 55.334 56.287 0.020 0.000 0.816 83 K CB 2.430 34.941 32.500 0.018 0.000 1.250 83 K HN 0.577 nan 8.250 nan 0.000 0.434 84 E N 0.405 120.621 120.200 0.028 0.000 2.529 84 E HA -0.021 4.329 4.350 0.000 0.000 0.259 84 E C 0.541 177.162 176.600 0.034 0.000 0.966 84 E CA 1.252 57.671 56.400 0.032 0.000 0.937 84 E CB 0.019 29.729 29.700 0.016 0.000 0.923 84 E HN 0.758 nan 8.360 nan 0.000 0.468 85 G N 3.745 112.570 108.800 0.043 0.000 2.213 85 G HA2 -0.230 3.730 3.960 0.000 0.000 0.236 85 G HA3 -0.230 3.730 3.960 0.000 0.000 0.236 85 G C -0.156 174.774 174.900 0.051 0.000 0.991 85 G CA 0.081 45.203 45.100 0.037 0.000 0.629 85 G HN 0.677 nan 8.290 nan 0.000 0.517 86 D N 0.681 121.126 120.400 0.074 0.000 2.400 86 D HA 0.429 5.069 4.640 0.000 0.000 0.238 86 D C 1.007 177.353 176.300 0.076 0.000 1.157 86 D CA 0.064 54.118 54.000 0.091 0.000 0.889 86 D CB 0.591 41.478 40.800 0.145 0.000 1.199 86 D HN 0.285 nan 8.370 nan 0.000 0.436 87 I N 0.881 121.482 120.570 0.051 0.000 2.519 87 I HA 0.150 4.320 4.170 0.000 0.000 0.287 87 I C 0.027 176.109 176.117 -0.058 0.000 1.047 87 I CA -0.238 61.065 61.300 0.005 0.000 1.381 87 I CB 0.948 38.949 38.000 0.002 0.000 1.417 87 I HN -0.035 nan 8.210 nan 0.000 0.540 88 V N 5.665 125.499 119.914 -0.132 0.000 2.588 88 V HA 0.524 4.644 4.120 0.000 0.000 0.304 88 V C -0.244 175.727 176.094 -0.205 0.000 1.042 88 V CA -1.001 61.116 62.300 -0.304 0.000 0.877 88 V CB 1.649 33.199 31.823 -0.454 0.000 0.996 88 V HN 0.620 nan 8.190 nan 0.000 0.425 89 K N 3.008 123.289 120.400 -0.198 0.000 2.318 89 K HA 0.655 4.975 4.320 0.000 0.000 0.249 89 K C -0.556 175.981 176.600 -0.105 0.000 0.942 89 K CA -0.975 55.241 56.287 -0.117 0.000 0.808 89 K CB 2.773 35.230 32.500 -0.072 0.000 1.189 89 K HN 0.549 nan 8.250 nan 0.000 0.428 90 R N 0.300 120.757 120.500 -0.072 0.000 2.641 90 R HA 0.042 4.382 4.340 0.000 0.000 0.269 90 R C 1.054 177.335 176.300 -0.031 0.000 1.074 90 R CA 0.295 56.365 56.100 -0.050 0.000 1.133 90 R CB 0.475 30.753 30.300 -0.038 0.000 1.029 90 R HN 0.823 nan 8.270 nan 0.000 0.488 91 T N -2.547 111.998 114.554 -0.016 0.000 2.971 91 T HA 0.170 4.520 4.350 0.000 0.000 0.252 91 T C 1.309 176.009 174.700 -0.001 0.000 1.022 91 T CA 0.322 62.420 62.100 -0.003 0.000 0.980 91 T CB 0.615 69.490 68.868 0.012 0.000 1.044 91 T HN 0.807 nan 8.240 nan 0.000 0.501 92 G N 1.417 110.215 108.800 -0.003 0.000 2.184 92 G HA2 0.004 3.964 3.960 0.000 0.000 0.264 92 G HA3 0.004 3.964 3.960 0.000 0.000 0.264 92 G C 0.201 175.104 174.900 0.005 0.000 0.975 92 G CA -0.026 45.073 45.100 -0.002 0.000 0.642 92 G HN 1.339 nan 8.290 nan 0.000 0.536 93 A N -0.399 122.427 122.820 0.011 0.000 2.342 93 A HA 0.822 5.142 4.320 0.000 0.000 0.323 93 A C 0.001 177.600 177.584 0.025 0.000 1.125 93 A CA -0.719 51.328 52.037 0.015 0.000 0.785 93 A CB 1.022 20.031 19.000 0.015 0.000 1.221 93 A HN 0.621 nan 8.150 nan 0.000 0.463 94 I N 1.608 122.192 120.570 0.023 0.000 2.692 94 I HA 0.047 4.217 4.170 0.000 0.000 0.284 94 I C 0.615 176.755 176.117 0.038 0.000 1.159 94 I CA 0.464 61.783 61.300 0.032 0.000 1.423 94 I CB 0.951 38.965 38.000 0.023 0.000 1.380 94 I HN 0.407 nan 8.210 nan 0.000 0.580 95 V N 6.469 126.420 119.914 0.061 0.000 2.717 95 V HA -0.062 4.058 4.120 0.000 0.000 0.302 95 V C 0.022 176.129 176.094 0.021 0.000 1.097 95 V CA 0.527 62.867 62.300 0.066 0.000 1.262 95 V CB -1.102 30.790 31.823 0.114 0.000 0.846 95 V HN 0.949 nan 8.190 nan 0.000 0.485 96 D N 3.744 124.148 120.400 0.006 0.000 2.610 96 D HA 0.749 5.389 4.640 0.000 0.000 0.271 96 D C -0.569 175.715 176.300 -0.026 0.000 1.174 96 D CA -0.498 53.496 54.000 -0.009 0.000 0.949 96 D CB 2.159 42.957 40.800 -0.003 0.000 1.430 96 D HN 0.544 nan 8.370 nan 0.000 0.467 97 V N -5.196 114.700 119.914 -0.030 0.000 3.130 97 V HA 0.809 4.929 4.120 0.000 0.000 0.310 97 V C -2.892 173.175 176.094 -0.044 0.000 1.158 97 V CA -2.364 59.911 62.300 -0.041 0.000 1.029 97 V CB 1.875 33.670 31.823 -0.047 0.000 1.057 97 V HN 0.632 nan 8.190 nan 0.000 0.436 98 P HA 0.423 nan 4.420 nan 0.000 0.271 98 P C -0.820 176.418 177.300 -0.104 0.000 1.216 98 P CA 0.079 63.136 63.100 -0.071 0.000 0.776 98 P CB 1.482 33.143 31.700 -0.064 0.000 0.881 99 V N 1.552 121.368 119.914 -0.164 0.000 3.087 99 V HA 0.838 4.958 4.120 0.000 0.000 0.306 99 V C 0.254 176.022 176.094 -0.544 0.000 1.187 99 V CA 0.351 62.483 62.300 -0.280 0.000 0.999 99 V CB 2.078 33.789 31.823 -0.186 0.000 1.049 99 V HN 1.064 nan 8.190 nan 0.000 0.431 100 G N 2.294 110.512 108.800 -0.971 0.000 2.343 100 G HA2 0.010 3.970 3.960 0.000 0.000 0.465 100 G HA3 0.010 3.970 3.960 0.000 0.000 0.465 100 G C 0.001 174.455 174.900 -0.743 0.000 1.282 100 G CA 0.016 44.258 45.100 -1.431 0.000 0.996 100 G HN 0.619 nan 8.290 nan 0.000 0.521 101 E N 0.454 120.380 120.200 -0.458 0.000 2.274 101 E HA -0.095 4.255 4.350 0.000 0.000 0.194 101 E C 1.955 178.529 176.600 -0.043 0.000 0.996 101 E CA 1.189 57.532 56.400 -0.095 0.000 0.840 101 E CB 0.024 29.728 29.700 0.007 0.000 0.772 101 E HN 0.644 nan 8.360 nan 0.000 0.491 102 E N 0.847 120.988 120.200 -0.099 0.000 2.472 102 E HA -0.146 4.204 4.350 0.000 0.000 0.200 102 E C 1.646 178.224 176.600 -0.035 0.000 1.046 102 E CA 0.570 56.938 56.400 -0.053 0.000 0.871 102 E CB -0.152 29.509 29.700 -0.065 0.000 0.806 102 E HN 0.265 nan 8.360 nan 0.000 0.533 103 L N 0.458 121.657 121.223 -0.040 0.000 2.375 103 L HA 0.098 4.438 4.340 0.000 0.000 0.215 103 L C 1.103 178.001 176.870 0.046 0.000 1.108 103 L CA 0.334 55.171 54.840 -0.006 0.000 0.830 103 L CB -0.254 41.793 42.059 -0.019 0.000 0.959 103 L HN 0.019 nan 8.230 nan 0.000 0.457 104 L N 0.326 121.602 121.223 0.088 0.000 2.513 104 L HA 0.257 4.597 4.340 0.000 0.000 0.272 104 L C 1.421 178.331 176.870 0.067 0.000 1.187 104 L CA 0.617 55.529 54.840 0.120 0.000 0.895 104 L CB -0.328 41.850 42.059 0.198 0.000 1.147 104 L HN 0.397 nan 8.230 nan 0.000 0.483 105 G N 1.720 110.541 108.800 0.036 0.000 2.175 105 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 105 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 105 G C 0.280 175.177 174.900 -0.005 0.000 0.982 105 G CA -0.485 44.614 45.100 -0.001 0.000 0.641 105 G HN 0.463 nan 8.290 nan 0.000 0.527 106 R N -0.279 120.226 120.500 0.007 0.000 2.720 106 R HA 0.722 5.062 4.340 0.000 0.000 0.272 106 R C -0.285 176.019 176.300 0.007 0.000 0.991 106 R CA -0.780 55.322 56.100 0.004 0.000 1.010 106 R CB 1.675 31.977 30.300 0.004 0.000 1.141 106 R HN 0.235 nan 8.270 nan 0.000 0.494 107 V N 2.583 122.500 119.914 0.004 0.000 2.378 107 V HA 0.395 4.515 4.120 0.000 0.000 0.288 107 V C 0.197 176.296 176.094 0.009 0.000 1.016 107 V CA -0.766 61.541 62.300 0.011 0.000 0.840 107 V CB 1.459 33.287 31.823 0.009 0.000 0.994 107 V HN 0.603 nan 8.190 nan 0.000 0.431 108 V N 1.339 121.259 119.914 0.010 0.000 3.113 108 V HA 0.831 4.951 4.120 0.000 0.000 0.316 108 V C -0.274 175.821 176.094 0.002 0.000 1.125 108 V CA -0.822 61.480 62.300 0.002 0.000 1.026 108 V CB 2.115 33.935 31.823 -0.006 0.000 1.080 108 V HN 0.772 nan 8.190 nan 0.000 0.444 109 D N 1.653 122.050 120.400 -0.004 0.000 2.469 109 D HA 0.483 5.123 4.640 0.000 0.000 0.278 109 D C 1.163 177.447 176.300 -0.027 0.000 1.231 109 D CA 0.089 54.085 54.000 -0.006 0.000 1.075 109 D CB 0.843 41.642 40.800 -0.001 0.000 1.121 109 D HN 0.812 nan 8.370 nan 0.000 0.571 110 A N -0.901 121.894 122.820 -0.041 0.000 2.066 110 A HA 0.006 4.326 4.320 0.000 0.000 0.218 110 A C 2.282 179.788 177.584 -0.129 0.000 1.157 110 A CA 0.757 52.745 52.037 -0.080 0.000 0.670 110 A CB -0.804 18.143 19.000 -0.088 0.000 0.804 110 A HN 0.512 nan 8.150 nan 0.000 0.453 111 L N -1.897 119.253 121.223 -0.122 0.000 2.509 111 L HA 0.212 4.552 4.340 0.000 0.000 0.222 111 L C 1.731 178.555 176.870 -0.076 0.000 1.123 111 L CA 0.674 55.434 54.840 -0.133 0.000 0.856 111 L CB 0.049 42.045 42.059 -0.104 0.000 0.985 111 L HN 0.558 nan 8.230 nan 0.000 0.456 112 G N -0.748 108.020 108.800 -0.053 0.000 2.184 112 G HA2 -0.215 3.745 3.960 0.000 0.000 0.206 112 G HA3 -0.215 3.745 3.960 0.000 0.000 0.206 112 G C 0.006 174.891 174.900 -0.026 0.000 0.995 112 G CA -0.525 44.552 45.100 -0.039 0.000 0.651 112 G HN 0.290 nan 8.290 nan 0.000 0.511 113 N N 1.289 119.977 118.700 -0.019 0.000 2.530 113 N HA 0.524 5.264 4.740 0.000 0.000 0.273 113 N C 0.613 176.119 175.510 -0.006 0.000 1.173 113 N CA 0.617 53.662 53.050 -0.009 0.000 0.967 113 N CB 1.306 39.793 38.487 0.000 0.000 1.109 113 N HN 0.718 nan 8.380 nan 0.000 0.453 114 A N 1.693 124.511 122.820 -0.004 0.000 2.477 114 A HA 0.265 4.585 4.320 0.000 0.000 0.246 114 A C 1.278 178.863 177.584 0.002 0.000 1.078 114 A CA -0.224 51.811 52.037 -0.002 0.000 0.770 114 A CB -0.396 18.602 19.000 -0.003 0.000 1.011 114 A HN 0.838 nan 8.150 nan 0.000 0.494 115 I N -1.023 119.549 120.570 0.003 0.000 4.310 115 I HA 0.234 4.404 4.170 0.000 0.000 0.328 115 I C 0.324 176.443 176.117 0.004 0.000 1.406 115 I CA 0.090 61.394 61.300 0.006 0.000 1.174 115 I CB 0.449 38.454 38.000 0.010 0.000 1.279 115 I HN 0.475 nan 8.210 nan 0.000 0.471 116 D N 1.497 121.897 120.400 0.001 0.000 2.340 116 D HA 0.126 4.766 4.640 0.000 0.000 0.220 116 D C 1.668 177.966 176.300 -0.003 0.000 1.039 116 D CA 0.711 54.710 54.000 -0.002 0.000 0.866 116 D CB -0.011 40.786 40.800 -0.005 0.000 0.913 116 D HN 0.457 nan 8.370 nan 0.000 0.523 117 G N 0.712 109.511 108.800 -0.001 0.000 2.160 117 G HA2 -0.373 3.587 3.960 0.000 0.000 0.251 117 G HA3 -0.373 3.587 3.960 0.000 0.000 0.251 117 G C 0.685 175.584 174.900 -0.002 0.000 1.008 117 G CA 0.409 45.508 45.100 -0.001 0.000 0.724 117 G HN 0.458 nan 8.290 nan 0.000 0.514 118 K N 0.123 120.522 120.400 -0.003 0.000 2.437 118 K HA 0.485 4.805 4.320 0.000 0.000 0.205 118 K C 1.336 177.934 176.600 -0.003 0.000 1.026 118 K CA 0.490 56.774 56.287 -0.004 0.000 1.153 118 K CB 0.321 32.818 32.500 -0.005 0.000 0.863 118 K HN 1.464 nan 8.250 nan 0.000 0.502 119 G N 2.314 111.112 108.800 -0.002 0.000 2.710 119 G HA2 -0.174 3.786 3.960 0.000 0.000 0.668 119 G HA3 -0.174 3.786 3.960 0.000 0.000 0.668 119 G C -2.745 172.152 174.900 -0.004 0.000 1.320 119 G CA -1.275 43.824 45.100 -0.003 0.000 0.860 119 G HN 0.026 nan 8.290 nan 0.000 0.538 120 P HA 0.393 nan 4.420 nan 0.000 0.269 120 P C 0.266 177.559 177.300 -0.011 0.000 1.215 120 P CA -0.262 62.834 63.100 -0.007 0.000 0.780 120 P CB 0.363 32.059 31.700 -0.007 0.000 0.898 121 I N 1.250 121.810 120.570 -0.016 0.000 2.416 121 I HA 0.126 4.296 4.170 0.000 0.000 0.288 121 I C 1.588 177.689 176.117 -0.028 0.000 1.051 121 I CA -0.017 61.269 61.300 -0.024 0.000 1.375 121 I CB 0.094 38.075 38.000 -0.032 0.000 1.407 121 I HN 0.472 nan 8.210 nan 0.000 0.516 122 G N 4.402 113.185 108.800 -0.028 0.000 3.455 122 G HA2 0.070 4.030 3.960 0.000 0.000 0.250 122 G HA3 0.070 4.030 3.960 0.000 0.000 0.250 122 G C 0.544 175.417 174.900 -0.044 0.000 1.071 122 G CA -0.157 44.926 45.100 -0.029 0.000 1.812 122 G HN 0.595 nan 8.290 nan 0.000 0.643 123 S N -0.301 115.366 115.700 -0.054 0.000 2.549 123 S HA 0.230 4.700 4.470 0.000 0.000 0.279 123 S C 1.362 175.923 174.600 -0.065 0.000 1.321 123 S CA -0.252 57.900 58.200 -0.079 0.000 1.054 123 S CB 0.852 63.998 63.200 -0.091 0.000 0.899 123 S HN 0.514 nan 8.310 nan 0.000 0.497 124 K N 2.459 122.815 120.400 -0.074 0.000 2.348 124 K HA 0.320 4.640 4.320 0.000 0.000 0.194 124 K C 0.419 176.991 176.600 -0.047 0.000 1.052 124 K CA 0.159 56.417 56.287 -0.049 0.000 1.004 124 K CB 0.525 33.003 32.500 -0.037 0.000 0.873 124 K HN 0.577 nan 8.250 nan 0.000 0.523 125 A N 1.553 124.329 122.820 -0.072 0.000 2.384 125 A HA 0.707 5.027 4.320 0.000 0.000 0.312 125 A C -0.865 176.679 177.584 -0.067 0.000 1.113 125 A CA -0.734 51.272 52.037 -0.051 0.000 0.779 125 A CB 1.226 20.215 19.000 -0.019 0.000 1.307 125 A HN 0.060 nan 8.150 nan 0.000 0.436 126 R N -0.212 120.265 120.500 -0.038 0.000 2.808 126 R HA 0.723 5.063 4.340 0.000 0.000 0.272 126 R C -0.904 175.387 176.300 -0.016 0.000 0.995 126 R CA -0.816 55.263 56.100 -0.035 0.000 0.917 126 R CB 2.697 32.982 30.300 -0.025 0.000 1.217 126 R HN 0.781 nan 8.270 nan 0.000 0.471 127 R N 1.123 121.614 120.500 -0.014 0.000 2.584 127 R HA 0.330 4.670 4.340 0.000 0.000 0.276 127 R C -0.914 175.386 176.300 -0.000 0.000 1.046 127 R CA -0.797 55.304 56.100 0.001 0.000 0.906 127 R CB 1.827 32.135 30.300 0.014 0.000 1.215 127 R HN 0.549 nan 8.270 nan 0.000 0.449 128 R N 1.580 122.083 120.500 0.004 0.000 2.623 128 R HA 0.007 4.347 4.340 0.000 0.000 0.271 128 R C 1.403 177.703 176.300 0.000 0.000 1.043 128 R CA 0.196 56.297 56.100 0.001 0.000 1.083 128 R CB 0.737 31.039 30.300 0.003 0.000 0.974 128 R HN 0.543 nan 8.270 nan 0.000 0.436 129 V N 0.246 120.154 119.914 -0.010 0.000 3.129 129 V HA 0.119 4.239 4.120 0.000 0.000 0.259 129 V C 1.115 177.189 176.094 -0.033 0.000 1.116 129 V CA 1.581 63.878 62.300 -0.006 0.000 1.127 129 V CB 0.202 32.013 31.823 -0.020 0.000 0.742 129 V HN 0.847 nan 8.190 nan 0.000 0.474 130 G N 0.421 109.185 108.800 -0.059 0.000 3.707 130 G HA2 0.426 4.386 3.960 0.000 0.000 0.286 130 G HA3 0.426 4.386 3.960 0.000 0.000 0.286 130 G C 0.215 175.091 174.900 -0.041 0.000 1.112 130 G CA -0.468 44.574 45.100 -0.097 0.000 0.861 130 G HN 0.441 nan 8.290 nan 0.000 0.534 131 L N 0.559 121.775 121.223 -0.011 0.000 2.483 131 L HA 0.194 4.534 4.340 0.000 0.000 0.276 131 L C 0.891 177.764 176.870 0.005 0.000 1.213 131 L CA -0.138 54.703 54.840 0.002 0.000 0.843 131 L CB 0.786 42.851 42.059 0.010 0.000 1.107 131 L HN 0.068 nan 8.230 nan 0.000 0.487 132 K N 1.946 122.352 120.400 0.009 0.000 2.237 132 K HA 0.452 4.772 4.320 0.000 0.000 0.270 132 K C -0.174 176.430 176.600 0.008 0.000 1.015 132 K CA -0.454 55.842 56.287 0.015 0.000 0.949 132 K CB 1.107 33.621 32.500 0.024 0.000 0.976 132 K HN 0.647 nan 8.250 nan 0.000 0.472 133 A N 4.529 127.354 122.820 0.008 0.000 2.425 133 A HA 0.289 4.609 4.320 0.000 0.000 0.242 133 A C -2.150 175.419 177.584 -0.024 0.000 1.077 133 A CA -1.155 50.879 52.037 -0.005 0.000 0.781 133 A CB -0.541 18.459 19.000 -0.001 0.000 1.020 133 A HN 0.640 nan 8.150 nan 0.000 0.494 134 P HA 0.193 nan 4.420 nan 0.000 0.266 134 P C 0.663 177.914 177.300 -0.081 0.000 1.193 134 P CA 0.594 63.635 63.100 -0.099 0.000 0.770 134 P CB 0.372 31.979 31.700 -0.155 0.000 0.836 135 G N 0.936 109.681 108.800 -0.092 0.000 2.531 135 G HA2 0.205 4.165 3.960 0.000 0.000 0.253 135 G HA3 0.205 4.165 3.960 0.000 0.000 0.253 135 G C 1.085 175.944 174.900 -0.068 0.000 1.439 135 G CA -0.688 44.377 45.100 -0.058 0.000 1.056 135 G HN 0.416 nan 8.290 nan 0.000 0.555 136 I N 0.060 120.606 120.570 -0.041 0.000 2.179 136 I HA -0.144 4.026 4.170 0.000 0.000 0.242 136 I C 2.576 178.666 176.117 -0.045 0.000 1.088 136 I CA 0.738 62.018 61.300 -0.033 0.000 1.357 136 I CB -0.207 37.786 38.000 -0.010 0.000 1.051 136 I HN 0.245 nan 8.210 nan 0.000 0.409 137 I N 1.109 121.652 120.570 -0.045 0.000 2.142 137 I HA -0.161 4.009 4.170 0.000 0.000 0.240 137 I C -0.105 175.972 176.117 -0.068 0.000 1.078 137 I CA 1.824 63.111 61.300 -0.023 0.000 1.343 137 I CB -2.901 35.117 38.000 0.030 0.000 1.046 137 I HN 0.161 nan 8.210 nan 0.000 0.405 138 P HA -0.098 nan 4.420 nan 0.000 0.226 138 P C 0.456 177.596 177.300 -0.267 0.000 1.146 138 P CA 1.132 63.859 63.100 -0.620 0.000 0.773 138 P CB 0.011 31.004 31.700 -1.177 0.000 0.772 139 R N -0.508 119.909 120.500 -0.138 0.000 2.607 139 R HA 0.718 5.058 4.340 0.000 0.000 0.261 139 R C -0.022 176.272 176.300 -0.009 0.000 1.051 139 R CA -0.800 55.261 56.100 -0.063 0.000 1.110 139 R CB 1.073 31.340 30.300 -0.054 0.000 1.158 139 R HN -0.014 nan 8.270 nan 0.000 0.543 140 I N -0.164 120.409 120.570 0.005 0.000 2.841 140 I HA 0.124 4.294 4.170 0.000 0.000 0.298 140 I C -0.646 175.479 176.117 0.014 0.000 1.304 140 I CA -0.626 60.684 61.300 0.017 0.000 1.019 140 I CB 2.340 40.358 38.000 0.031 0.000 1.282 140 I HN 0.852 nan 8.210 nan 0.000 0.432 141 S N 5.392 121.100 115.700 0.013 0.000 2.558 141 S HA 0.144 4.614 4.470 0.000 0.000 0.293 141 S C 0.190 174.795 174.600 0.009 0.000 1.292 141 S CA -0.498 57.708 58.200 0.010 0.000 1.063 141 S CB 0.672 63.877 63.200 0.010 0.000 0.831 141 S HN 0.800 nan 8.310 nan 0.000 0.499 142 V N 2.215 122.133 119.914 0.006 0.000 2.788 142 V HA 0.369 4.489 4.120 0.000 0.000 0.307 142 V C 0.906 176.996 176.094 -0.007 0.000 1.069 142 V CA 0.243 62.543 62.300 0.001 0.000 1.173 142 V CB 0.217 32.039 31.823 -0.003 0.000 0.925 142 V HN 1.169 nan 8.190 nan 0.000 0.492 143 R N 1.090 121.579 120.500 -0.018 0.000 2.468 143 R HA 0.425 4.765 4.340 0.000 0.000 0.352 143 R C -0.316 175.956 176.300 -0.048 0.000 0.858 143 R CA -0.418 55.668 56.100 -0.024 0.000 1.108 143 R CB 0.143 30.436 30.300 -0.012 0.000 1.741 143 R HN 0.736 nan 8.270 nan 0.000 0.504 144 E N 2.715 122.871 120.200 -0.074 0.000 2.210 144 E HA 0.396 4.746 4.350 0.000 0.000 0.266 144 E C -2.705 173.816 176.600 -0.131 0.000 0.883 144 E CA -2.557 53.769 56.400 -0.124 0.000 0.761 144 E CB 2.377 31.959 29.700 -0.196 0.000 1.156 144 E HN -0.047 nan 8.360 nan 0.000 0.412 145 P HA -0.007 nan 4.420 nan 0.000 0.269 145 P C -0.766 176.439 177.300 -0.158 0.000 1.209 145 P CA -0.219 62.812 63.100 -0.115 0.000 0.776 145 P CB 0.414 32.056 31.700 -0.096 0.000 0.876 146 M N 2.161 121.698 119.600 -0.105 0.000 2.016 146 M HA 0.245 4.725 4.480 0.000 0.000 0.315 146 M C -0.746 175.530 176.300 -0.041 0.000 0.930 146 M CA -0.124 55.116 55.300 -0.101 0.000 0.899 146 M CB 0.777 33.330 32.600 -0.079 0.000 1.401 146 M HN 0.048 nan 8.290 nan 0.000 0.386 147 Q N 2.817 122.605 119.800 -0.020 0.000 2.281 147 Q HA 0.167 4.507 4.340 0.000 0.000 0.267 147 Q C 0.919 176.969 176.000 0.084 0.000 1.053 147 Q CA 0.627 56.468 55.803 0.064 0.000 0.905 147 Q CB 0.836 29.677 28.738 0.172 0.000 1.195 147 Q HN 0.920 nan 8.270 nan 0.000 0.398 148 T N -1.189 113.396 114.554 0.053 0.000 3.014 148 T HA 0.093 4.443 4.350 0.000 0.000 0.263 148 T C 1.273 176.001 174.700 0.047 0.000 1.078 148 T CA 0.694 62.822 62.100 0.046 0.000 1.135 148 T CB 0.077 68.963 68.868 0.030 0.000 0.895 148 T HN 0.820 nan 8.240 nan 0.000 0.480 149 G N 1.374 110.202 108.800 0.046 0.000 2.176 149 G HA2 -0.184 3.776 3.960 0.000 0.000 0.253 149 G HA3 -0.184 3.776 3.960 0.000 0.000 0.253 149 G C 0.009 174.922 174.900 0.021 0.000 0.979 149 G CA 0.050 45.167 45.100 0.029 0.000 0.641 149 G HN 0.666 nan 8.290 nan 0.000 0.530 150 I N 0.970 121.555 120.570 0.025 0.000 2.307 150 I HA 0.265 4.435 4.170 0.000 0.000 0.289 150 I C 1.591 177.725 176.117 0.028 0.000 1.021 150 I CA -0.745 60.568 61.300 0.022 0.000 1.224 150 I CB 1.312 39.325 38.000 0.021 0.000 1.376 150 I HN -0.017 nan 8.210 nan 0.000 0.470 151 K N 4.235 124.652 120.400 0.029 0.000 2.059 151 K HA -0.261 4.059 4.320 0.000 0.000 0.212 151 K C 2.109 178.732 176.600 0.038 0.000 1.050 151 K CA 2.051 58.359 56.287 0.035 0.000 0.927 151 K CB -0.160 32.363 32.500 0.037 0.000 0.714 151 K HN 0.813 nan 8.250 nan 0.000 0.447 152 A N 0.759 123.602 122.820 0.039 0.000 1.902 152 A HA -0.139 4.181 4.320 0.000 0.000 0.217 152 A C 2.379 179.989 177.584 0.043 0.000 1.181 152 A CA 1.669 53.732 52.037 0.045 0.000 0.623 152 A CB -0.596 18.434 19.000 0.050 0.000 0.818 152 A HN 0.101 nan 8.150 nan 0.000 0.443 153 V N 0.379 120.315 119.914 0.038 0.000 2.283 153 V HA -0.173 3.947 4.120 0.000 0.000 0.243 153 V C 2.034 178.146 176.094 0.031 0.000 1.039 153 V CA 2.100 64.420 62.300 0.033 0.000 1.016 153 V CB -0.812 31.027 31.823 0.027 0.000 0.650 153 V HN 0.456 nan 8.190 nan 0.000 0.449 154 D N 0.400 120.818 120.400 0.030 0.000 2.263 154 D HA -0.101 4.539 4.640 0.000 0.000 0.208 154 D C 2.356 178.675 176.300 0.030 0.000 0.971 154 D CA 1.654 55.671 54.000 0.029 0.000 0.867 154 D CB -0.037 40.783 40.800 0.032 0.000 0.929 154 D HN 0.619 nan 8.370 nan 0.000 0.492 155 S N -0.681 115.040 115.700 0.035 0.000 2.452 155 S HA 0.080 4.550 4.470 0.000 0.000 0.225 155 S C 1.938 176.560 174.600 0.038 0.000 1.057 155 S CA 0.023 58.245 58.200 0.038 0.000 0.949 155 S CB -0.239 62.987 63.200 0.042 0.000 0.836 155 S HN 0.168 nan 8.310 nan 0.000 0.518 156 L N 1.134 122.381 121.223 0.041 0.000 2.515 156 L HA 0.381 4.721 4.340 0.000 0.000 0.223 156 L C -0.121 176.775 176.870 0.043 0.000 1.079 156 L CA 0.094 54.961 54.840 0.044 0.000 0.857 156 L CB 0.663 42.753 42.059 0.051 0.000 1.050 156 L HN 0.196 nan 8.230 nan 0.000 0.476 157 V N 0.120 120.058 119.914 0.039 0.000 2.575 157 V HA 0.233 4.353 4.120 0.000 0.000 0.281 157 V C -2.474 173.635 176.094 0.024 0.000 1.087 157 V CA -1.239 61.083 62.300 0.036 0.000 1.193 157 V CB 0.187 32.035 31.823 0.042 0.000 1.426 157 V HN -0.018 nan 8.190 nan 0.000 0.623 158 P HA 0.213 nan 4.420 nan 0.000 0.264 158 P C -0.269 177.033 177.300 0.004 0.000 1.193 158 P CA 0.631 63.738 63.100 0.012 0.000 0.763 158 P CB 1.231 32.937 31.700 0.010 0.000 0.810 159 I N 1.770 122.337 120.570 -0.004 0.000 2.525 159 I HA 0.590 4.760 4.170 0.000 0.000 0.301 159 I C 1.053 177.155 176.117 -0.025 0.000 0.992 159 I CA -0.569 60.724 61.300 -0.013 0.000 1.162 159 I CB 2.074 40.066 38.000 -0.014 0.000 1.332 159 I HN 0.327 nan 8.210 nan 0.000 0.458 160 G N 3.186 111.970 108.800 -0.027 0.000 2.498 160 G HA2 0.546 4.506 3.960 0.000 0.000 0.312 160 G HA3 0.546 4.506 3.960 0.000 0.000 0.312 160 G C -0.835 174.041 174.900 -0.040 0.000 1.230 160 G CA -0.870 44.207 45.100 -0.040 0.000 0.968 160 G HN 0.503 nan 8.290 nan 0.000 0.481 161 R N 0.114 120.577 120.500 -0.060 0.000 2.404 161 R HA 0.405 4.745 4.340 0.000 0.000 0.315 161 R C 1.214 177.518 176.300 0.007 0.000 1.032 161 R CA 1.281 57.356 56.100 -0.041 0.000 0.992 161 R CB 0.664 30.898 30.300 -0.110 0.000 0.959 161 R HN 1.127 nan 8.270 nan 0.000 0.428 162 G N 1.788 110.602 108.800 0.023 0.000 2.253 162 G HA2 -0.275 3.686 3.960 0.000 0.000 0.209 162 G HA3 -0.275 3.686 3.960 0.000 0.000 0.209 162 G C 0.229 175.136 174.900 0.013 0.000 0.997 162 G CA -0.175 44.942 45.100 0.028 0.000 0.640 162 G HN 0.576 nan 8.290 nan 0.000 0.496 163 Q N 0.183 119.984 119.800 0.003 0.000 2.471 163 Q HA 0.625 4.965 4.340 0.000 0.000 0.223 163 Q C -0.207 175.792 176.000 -0.002 0.000 1.045 163 Q CA -0.201 55.601 55.803 -0.001 0.000 0.956 163 Q CB 0.352 29.086 28.738 -0.007 0.000 1.249 163 Q HN 0.283 nan 8.270 nan 0.000 0.549 164 R N 1.868 122.365 120.500 -0.004 0.000 2.388 164 R HA 0.308 4.648 4.340 0.000 0.000 0.314 164 R C -1.520 174.768 176.300 -0.019 0.000 0.959 164 R CA -0.520 55.575 56.100 -0.008 0.000 0.851 164 R CB 1.630 31.927 30.300 -0.005 0.000 1.168 164 R HN 0.450 nan 8.270 nan 0.000 0.472 165 E N 2.663 122.846 120.200 -0.029 0.000 2.191 165 E HA 0.323 4.673 4.350 0.000 0.000 0.263 165 E C -1.417 175.144 176.600 -0.064 0.000 0.881 165 E CA -0.947 55.428 56.400 -0.043 0.000 0.757 165 E CB 1.033 30.713 29.700 -0.034 0.000 1.147 165 E HN 0.367 nan 8.360 nan 0.000 0.414 166 L N 5.013 126.179 121.223 -0.096 0.000 2.349 166 L HA 0.435 4.775 4.340 0.000 0.000 0.275 166 L C -1.133 175.644 176.870 -0.156 0.000 1.115 166 L CA -0.159 54.603 54.840 -0.129 0.000 0.820 166 L CB 0.569 42.529 42.059 -0.164 0.000 1.135 166 L HN 0.564 nan 8.230 nan 0.000 0.445 167 I N 7.043 127.537 120.570 -0.127 0.000 2.359 167 I HA 0.410 4.580 4.170 0.000 0.000 0.284 167 I C -0.323 175.719 176.117 -0.125 0.000 1.018 167 I CA -0.250 60.981 61.300 -0.114 0.000 1.173 167 I CB 0.861 38.824 38.000 -0.061 0.000 1.326 167 I HN 0.434 nan 8.210 nan 0.000 0.462 168 I N 5.216 125.683 120.570 -0.171 0.000 2.608 168 I HA 0.897 5.067 4.170 0.000 0.000 0.295 168 I C -0.262 175.829 176.117 -0.043 0.000 1.049 168 I CA -0.148 61.073 61.300 -0.131 0.000 1.063 168 I CB 1.703 39.570 38.000 -0.222 0.000 1.248 168 I HN 0.605 nan 8.210 nan 0.000 0.424 169 G N 6.034 114.834 108.800 -0.000 0.000 2.340 169 G HA2 0.177 4.137 3.960 0.000 0.000 0.300 169 G HA3 0.177 4.137 3.960 0.000 0.000 0.300 169 G C -1.533 173.368 174.900 0.002 0.000 1.488 169 G CA -0.825 44.292 45.100 0.028 0.000 0.878 169 G HN 0.516 nan 8.290 nan 0.000 0.618 170 D N 0.215 120.612 120.400 -0.005 0.000 2.335 170 D HA 0.261 4.901 4.640 0.000 0.000 0.236 170 D C 1.322 177.600 176.300 -0.036 0.000 1.297 170 D CA 0.197 54.186 54.000 -0.019 0.000 0.906 170 D CB 0.446 41.224 40.800 -0.036 0.000 1.164 170 D HN 0.685 nan 8.370 nan 0.000 0.469 171 R N 0.112 120.599 120.500 -0.023 0.000 2.738 171 R HA 0.117 4.457 4.340 0.000 0.000 0.268 171 R C 0.140 176.404 176.300 -0.060 0.000 1.062 171 R CA -0.488 55.595 56.100 -0.028 0.000 1.158 171 R CB 0.189 30.490 30.300 0.002 0.000 1.046 171 R HN 0.194 nan 8.270 nan 0.000 0.493 172 Q N -0.794 118.948 119.800 -0.097 0.000 2.494 172 Q HA -0.165 4.175 4.340 0.000 0.000 0.272 172 Q C 0.302 175.970 176.000 -0.553 0.000 1.145 172 Q CA 1.756 57.440 55.803 -0.200 0.000 0.943 172 Q CB -1.861 26.855 28.738 -0.037 0.000 1.338 172 Q HN 1.028 nan 8.270 nan 0.000 0.492 173 T N -5.207 109.075 114.554 -0.454 0.000 3.023 173 T HA 0.434 4.784 4.350 0.000 0.000 0.253 173 T C 1.137 175.578 174.700 -0.431 0.000 1.038 173 T CA 0.793 62.556 62.100 -0.562 0.000 0.962 173 T CB 1.058 69.808 68.868 -0.196 0.000 1.018 173 T HN 0.838 nan 8.240 nan 0.000 0.521 174 G N 1.867 110.494 108.800 -0.289 0.000 2.167 174 G HA2 -0.210 3.750 3.960 0.000 0.000 0.194 174 G HA3 -0.210 3.750 3.960 0.000 0.000 0.194 174 G C 0.598 175.480 174.900 -0.031 0.000 1.027 174 G CA 0.166 45.211 45.100 -0.090 0.000 0.717 174 G HN 0.483 nan 8.290 nan 0.000 0.501 175 K N -0.556 119.820 120.400 -0.040 0.000 2.025 175 K HA -0.036 4.284 4.320 0.000 0.000 0.207 175 K C 2.548 179.157 176.600 0.015 0.000 1.049 175 K CA 1.770 58.050 56.287 -0.013 0.000 0.933 175 K CB -0.248 32.240 32.500 -0.020 0.000 0.714 175 K HN 0.304 nan 8.250 nan 0.000 0.438 176 T N 1.017 115.589 114.554 0.030 0.000 2.788 176 T HA -0.092 4.258 4.350 0.000 0.000 0.268 176 T C 2.078 176.806 174.700 0.048 0.000 1.044 176 T CA 1.325 63.467 62.100 0.070 0.000 1.139 176 T CB -0.139 68.779 68.868 0.083 0.000 0.867 176 T HN 0.122 nan 8.240 nan 0.000 0.454 177 S N 1.049 116.763 115.700 0.022 0.000 2.382 177 S HA -0.014 4.456 4.470 0.000 0.000 0.228 177 S C 2.033 176.632 174.600 -0.000 0.000 1.027 177 S CA 0.661 58.861 58.200 -0.000 0.000 0.991 177 S CB -0.322 62.865 63.200 -0.021 0.000 0.823 177 S HN 0.379 nan 8.310 nan 0.000 0.469 178 I N 1.813 122.390 120.570 0.012 0.000 2.208 178 I HA -0.196 3.974 4.170 0.000 0.000 0.245 178 I C 2.706 178.838 176.117 0.026 0.000 1.097 178 I CA 1.381 62.690 61.300 0.016 0.000 1.363 178 I CB -1.486 36.524 38.000 0.016 0.000 1.051 178 I HN 0.252 nan 8.210 nan 0.000 0.413 179 A N 1.208 124.054 122.820 0.042 0.000 1.902 179 A HA -0.153 4.167 4.320 0.000 0.000 0.217 179 A C 2.181 179.794 177.584 0.048 0.000 1.181 179 A CA 1.235 53.312 52.037 0.067 0.000 0.623 179 A CB -0.466 18.619 19.000 0.142 0.000 0.818 179 A HN 0.269 nan 8.150 nan 0.000 0.443 180 I N 0.541 121.124 120.570 0.022 0.000 2.202 180 I HA -0.162 4.008 4.170 0.000 0.000 0.242 180 I C 1.686 177.831 176.117 0.047 0.000 1.091 180 I CA 1.481 62.786 61.300 0.008 0.000 1.368 180 I CB -1.685 36.336 38.000 0.035 0.000 1.058 180 I HN 0.232 nan 8.210 nan 0.000 0.410 181 D N 0.574 121.000 120.400 0.043 0.000 2.178 181 D HA -0.118 4.522 4.640 0.000 0.000 0.202 181 D C 2.191 178.519 176.300 0.047 0.000 0.974 181 D CA 1.283 55.309 54.000 0.045 0.000 0.841 181 D CB -0.178 40.625 40.800 0.005 0.000 0.953 181 D HN 0.246 nan 8.370 nan 0.000 0.478 182 T N 0.511 115.091 114.554 0.044 0.000 2.788 182 T HA -0.059 4.291 4.350 0.000 0.000 0.268 182 T C 2.134 176.878 174.700 0.074 0.000 1.044 182 T CA 0.554 62.685 62.100 0.052 0.000 1.139 182 T CB -0.080 68.813 68.868 0.042 0.000 0.867 182 T HN 0.173 nan 8.240 nan 0.000 0.454 183 I N 0.890 121.505 120.570 0.076 0.000 2.133 183 I HA -0.129 4.041 4.170 0.000 0.000 0.238 183 I C 2.200 178.417 176.117 0.165 0.000 1.074 183 I CA 0.944 62.314 61.300 0.117 0.000 1.342 183 I CB -0.387 37.648 38.000 0.058 0.000 1.053 183 I HN 0.150 nan 8.210 nan 0.000 0.404 184 I N 1.150 121.780 120.570 0.099 0.000 2.315 184 I HA -0.321 3.849 4.170 0.000 0.000 0.251 184 I C 2.249 178.421 176.117 0.092 0.000 1.125 184 I CA 1.648 63.007 61.300 0.099 0.000 1.392 184 I CB -1.890 36.151 38.000 0.069 0.000 1.065 184 I HN 0.376 nan 8.210 nan 0.000 0.424 185 N N 1.015 119.751 118.700 0.060 0.000 2.149 185 N HA -0.214 4.526 4.740 0.000 0.000 0.188 185 N C 1.707 177.172 175.510 -0.074 0.000 1.019 185 N CA 1.150 54.199 53.050 -0.002 0.000 0.857 185 N CB 0.006 38.513 38.487 0.032 0.000 0.997 185 N HN 0.266 nan 8.380 nan 0.000 0.426 186 Q N 0.463 120.266 119.800 0.004 0.000 2.368 186 Q HA -0.147 4.193 4.340 0.000 0.000 0.210 186 Q C 1.695 177.501 176.000 -0.322 0.000 0.982 186 Q CA 0.796 56.553 55.803 -0.078 0.000 0.884 186 Q CB -0.331 28.318 28.738 -0.149 0.000 0.933 186 Q HN 0.541 nan 8.270 nan 0.000 0.460 187 K N 1.487 121.769 120.400 -0.197 0.000 2.152 187 K HA -0.189 4.131 4.320 0.000 0.000 0.206 187 K C 2.034 178.473 176.600 -0.268 0.000 1.048 187 K CA 1.298 57.490 56.287 -0.158 0.000 0.933 187 K CB 0.053 32.586 32.500 0.056 0.000 0.721 187 K HN 0.270 nan 8.250 nan 0.000 0.447 188 R N -0.537 119.695 120.500 -0.446 0.000 2.105 188 R HA -0.148 4.192 4.340 0.000 0.000 0.239 188 R C 1.660 177.661 176.300 -0.498 0.000 1.135 188 R CA 1.676 57.453 56.100 -0.538 0.000 0.967 188 R CB -0.623 29.231 30.300 -0.744 0.000 0.861 188 R HN 0.156 nan 8.270 nan 0.000 0.442 189 F N 1.439 121.293 119.950 -0.160 0.000 2.220 189 F HA 0.172 4.699 4.527 0.000 0.000 0.290 189 F C 1.875 177.553 175.800 -0.203 0.000 1.080 189 F CA 0.184 58.083 58.000 -0.168 0.000 1.318 189 F CB -0.737 38.151 39.000 -0.186 0.000 1.063 189 F HN -0.098 nan 8.300 nan 0.000 0.498 190 N N 0.394 119.006 118.700 -0.146 0.000 2.364 190 N HA -0.145 4.595 4.740 0.000 0.000 0.183 190 N C 0.959 176.396 175.510 -0.123 0.000 1.022 190 N CA 1.208 54.107 53.050 -0.251 0.000 0.883 190 N CB -0.494 37.643 38.487 -0.584 0.000 0.965 190 N HN 0.255 nan 8.380 nan 0.000 0.438 191 D N -0.310 120.032 120.400 -0.096 0.000 2.348 191 D HA 0.073 4.713 4.640 0.000 0.000 0.211 191 D C 1.362 177.645 176.300 -0.028 0.000 0.998 191 D CA 0.211 54.184 54.000 -0.046 0.000 0.873 191 D CB -0.137 40.634 40.800 -0.048 0.000 0.925 191 D HN 0.170 nan 8.370 nan 0.000 0.524 192 G N -0.019 108.766 108.800 -0.024 0.000 2.468 192 G HA2 0.209 4.169 3.960 0.000 0.000 0.264 192 G HA3 0.209 4.169 3.960 0.000 0.000 0.264 192 G C 0.997 175.902 174.900 0.009 0.000 1.460 192 G CA 0.917 46.016 45.100 -0.001 0.000 1.060 192 G HN 0.222 nan 8.290 nan 0.000 0.543 193 T N -3.622 110.943 114.554 0.018 0.000 3.009 193 T HA 0.126 4.476 4.350 0.000 0.000 0.267 193 T C 0.262 174.981 174.700 0.032 0.000 0.942 193 T CA 0.318 62.433 62.100 0.025 0.000 0.883 193 T CB 0.370 69.251 68.868 0.021 0.000 1.192 193 T HN 0.331 nan 8.240 nan 0.000 0.524 194 D N 2.649 123.066 120.400 0.028 0.000 2.359 194 D HA 0.128 4.768 4.640 0.000 0.000 0.250 194 D C 1.189 177.511 176.300 0.037 0.000 1.264 194 D CA -0.091 53.926 54.000 0.028 0.000 0.911 194 D CB 0.750 41.560 40.800 0.017 0.000 1.056 194 D HN 0.114 nan 8.370 nan 0.000 0.499 195 E N 2.948 123.183 120.200 0.060 0.000 2.265 195 E HA -0.162 4.188 4.350 0.000 0.000 0.196 195 E C 1.189 177.859 176.600 0.117 0.000 0.996 195 E CA 0.754 57.213 56.400 0.098 0.000 0.832 195 E CB 0.193 29.962 29.700 0.115 0.000 0.756 195 E HN 0.588 nan 8.360 nan 0.000 0.491 196 K N 0.347 120.799 120.400 0.087 0.000 2.366 196 K HA -0.029 4.291 4.320 0.000 0.000 0.198 196 K C 1.875 178.479 176.600 0.007 0.000 1.044 196 K CA 0.482 56.837 56.287 0.114 0.000 0.973 196 K CB 0.160 32.705 32.500 0.076 0.000 0.767 196 K HN -0.103 nan 8.250 nan 0.000 0.475 197 K N 0.894 121.261 120.400 -0.055 0.000 2.358 197 K HA 0.076 4.396 4.320 0.000 0.000 0.200 197 K C -0.200 176.259 176.600 -0.234 0.000 1.030 197 K CA 0.003 56.168 56.287 -0.203 0.000 1.097 197 K CB 0.551 32.941 32.500 -0.183 0.000 0.862 197 K HN -0.075 nan 8.250 nan 0.000 0.534 198 K N 0.777 121.113 120.400 -0.108 0.000 2.168 198 K HA 0.198 4.518 4.320 0.000 0.000 0.258 198 K C -0.893 175.569 176.600 -0.231 0.000 1.010 198 K CA -0.490 55.687 56.287 -0.184 0.000 0.929 198 K CB 0.888 33.250 32.500 -0.229 0.000 0.998 198 K HN -0.122 nan 8.250 nan 0.000 0.479 199 L N 2.747 123.743 121.223 -0.380 0.000 2.446 199 L HA 0.300 4.640 4.340 0.000 0.000 0.268 199 L C -1.682 174.925 176.870 -0.438 0.000 0.975 199 L CA -0.395 54.275 54.840 -0.284 0.000 0.848 199 L CB 0.791 42.748 42.059 -0.170 0.000 1.225 199 L HN 0.442 nan 8.230 nan 0.000 0.410 200 Y N 3.131 123.303 120.300 -0.213 0.000 2.309 200 Y HA 0.476 5.026 4.550 0.000 0.000 0.327 200 Y C 0.496 176.294 175.900 -0.169 0.000 1.172 200 Y CA 0.009 57.942 58.100 -0.278 0.000 1.280 200 Y CB 1.032 38.997 38.460 -0.825 0.000 1.234 200 Y HN 0.516 nan 8.280 nan 0.000 0.512 201 C N 4.162 123.531 119.300 0.115 0.000 2.456 201 C HA 0.696 5.156 4.460 0.000 0.000 0.325 201 C C -0.311 174.721 174.990 0.070 0.000 1.217 201 C CA -1.076 57.997 59.018 0.091 0.000 1.687 201 C CB 0.260 28.094 27.740 0.156 0.000 2.270 201 C HN 0.596 nan 8.230 nan 0.000 0.499 202 I N 2.478 123.071 120.570 0.038 0.000 2.439 202 I HA 0.241 4.411 4.170 0.000 0.000 0.283 202 I C -0.862 175.262 176.117 0.011 0.000 1.023 202 I CA -0.232 61.084 61.300 0.027 0.000 1.100 202 I CB 0.719 38.717 38.000 -0.003 0.000 1.238 202 I HN 0.615 nan 8.210 nan 0.000 0.445 203 Y N 7.131 127.394 120.300 -0.062 0.000 2.434 203 Y HA 0.603 5.153 4.550 0.000 0.000 0.341 203 Y C -0.649 175.214 175.900 -0.061 0.000 0.965 203 Y CA -0.762 57.295 58.100 -0.072 0.000 1.205 203 Y CB 1.018 39.449 38.460 -0.048 0.000 1.121 203 Y HN 0.288 nan 8.280 nan 0.000 0.507 204 V N 6.904 126.493 119.914 -0.542 0.000 2.334 204 V HA 0.511 4.631 4.120 0.000 0.000 0.267 204 V C 0.204 176.004 176.094 -0.490 0.000 1.040 204 V CA -0.587 61.494 62.300 -0.365 0.000 0.866 204 V CB 0.453 32.172 31.823 -0.173 0.000 1.019 204 V HN 0.920 nan 8.190 nan 0.000 0.468 205 A N 7.342 129.997 122.820 -0.275 0.000 2.309 205 A HA 0.778 5.098 4.320 0.000 0.000 0.290 205 A C -0.383 177.162 177.584 -0.064 0.000 1.206 205 A CA -0.196 51.759 52.037 -0.136 0.000 0.850 205 A CB -0.073 18.972 19.000 0.075 0.000 1.118 205 A HN 0.798 nan 8.150 nan 0.000 0.523 206 I N 2.422 122.960 120.570 -0.054 0.000 2.439 206 I HA 0.512 4.682 4.170 0.000 0.000 0.283 206 I C 1.118 177.245 176.117 0.016 0.000 1.023 206 I CA 0.149 61.441 61.300 -0.014 0.000 1.100 206 I CB 1.651 39.633 38.000 -0.029 0.000 1.238 206 I HN 0.954 nan 8.210 nan 0.000 0.445 207 G N 3.785 112.606 108.800 0.035 0.000 2.212 207 G HA2 -0.251 3.709 3.960 0.000 0.000 0.266 207 G HA3 -0.251 3.709 3.960 0.000 0.000 0.266 207 G C 0.384 175.311 174.900 0.044 0.000 0.978 207 G CA -0.064 45.062 45.100 0.045 0.000 0.632 207 G HN 0.606 nan 8.290 nan 0.000 0.537 208 Q N 0.159 119.986 119.800 0.045 0.000 2.651 208 Q HA 0.416 4.756 4.340 0.000 0.000 0.224 208 Q C 0.378 176.407 176.000 0.049 0.000 1.094 208 Q CA 0.194 56.029 55.803 0.053 0.000 1.018 208 Q CB 0.472 29.255 28.738 0.075 0.000 1.292 208 Q HN 0.399 nan 8.270 nan 0.000 0.588 209 K N 0.703 121.131 120.400 0.047 0.000 2.270 209 K HA 0.067 4.387 4.320 0.000 0.000 0.276 209 K C 0.941 177.565 176.600 0.041 0.000 1.023 209 K CA -0.114 56.197 56.287 0.040 0.000 0.955 209 K CB 0.732 33.253 32.500 0.034 0.000 0.975 209 K HN 0.429 nan 8.250 nan 0.000 0.471 210 R N 1.325 121.846 120.500 0.035 0.000 2.120 210 R HA -0.166 4.174 4.340 0.000 0.000 0.234 210 R C 1.901 178.217 176.300 0.026 0.000 1.123 210 R CA 2.098 58.217 56.100 0.032 0.000 0.975 210 R CB -0.055 30.261 30.300 0.027 0.000 0.866 210 R HN 0.817 nan 8.270 nan 0.000 0.446 211 S N -0.888 114.826 115.700 0.022 0.000 2.382 211 S HA -0.120 4.350 4.470 0.000 0.000 0.228 211 S C 1.849 176.458 174.600 0.015 0.000 1.027 211 S CA 1.641 59.850 58.200 0.015 0.000 0.991 211 S CB -0.506 62.703 63.200 0.014 0.000 0.823 211 S HN 0.297 nan 8.310 nan 0.000 0.469 212 T N 2.419 116.988 114.554 0.025 0.000 2.720 212 T HA -0.038 4.312 4.350 0.000 0.000 0.268 212 T C 1.898 176.612 174.700 0.022 0.000 1.037 212 T CA 1.550 63.667 62.100 0.027 0.000 1.144 212 T CB -0.607 68.287 68.868 0.044 0.000 0.864 212 T HN 0.337 nan 8.240 nan 0.000 0.444 213 V N 1.594 121.530 119.914 0.037 0.000 2.453 213 V HA -0.071 4.049 4.120 0.000 0.000 0.247 213 V C 2.893 178.989 176.094 0.004 0.000 1.048 213 V CA 1.387 63.711 62.300 0.040 0.000 1.049 213 V CB -1.248 30.620 31.823 0.075 0.000 0.672 213 V HN 0.511 nan 8.190 nan 0.000 0.457 214 A N -0.353 122.469 122.820 0.003 0.000 1.902 214 A HA -0.289 4.031 4.320 0.000 0.000 0.217 214 A C 2.196 179.762 177.584 -0.029 0.000 1.181 214 A CA 1.968 53.998 52.037 -0.012 0.000 0.623 214 A CB -0.498 18.499 19.000 -0.006 0.000 0.818 214 A HN 0.588 nan 8.150 nan 0.000 0.443 215 Q N -0.810 118.974 119.800 -0.027 0.000 2.170 215 Q HA -0.083 4.257 4.340 0.000 0.000 0.203 215 Q C 2.066 178.025 176.000 -0.068 0.000 0.976 215 Q CA 1.005 56.783 55.803 -0.041 0.000 0.858 215 Q CB -0.223 28.500 28.738 -0.024 0.000 0.907 215 Q HN 0.563 nan 8.270 nan 0.000 0.433 216 L N 0.732 121.911 121.223 -0.074 0.000 1.976 216 L HA -0.157 4.183 4.340 0.000 0.000 0.209 216 L C 2.406 179.195 176.870 -0.136 0.000 1.071 216 L CA 2.021 56.784 54.840 -0.128 0.000 0.746 216 L CB -1.066 40.889 42.059 -0.174 0.000 0.890 216 L HN 0.294 nan 8.230 nan 0.000 0.432 217 V N -1.658 118.193 119.914 -0.104 0.000 2.332 217 V HA -0.247 3.873 4.120 0.000 0.000 0.248 217 V C 2.696 178.731 176.094 -0.098 0.000 1.055 217 V CA 1.958 64.200 62.300 -0.096 0.000 1.038 217 V CB -1.019 30.767 31.823 -0.062 0.000 0.651 217 V HN 0.412 nan 8.190 nan 0.000 0.450 218 K N 1.456 121.804 120.400 -0.086 0.000 2.044 218 K HA -0.291 4.029 4.320 0.000 0.000 0.210 218 K C 2.446 178.976 176.600 -0.117 0.000 1.049 218 K CA 2.576 58.810 56.287 -0.088 0.000 0.927 218 K CB -0.435 32.021 32.500 -0.074 0.000 0.713 218 K HN 0.572 nan 8.250 nan 0.000 0.443 219 R N 1.059 121.474 120.500 -0.143 0.000 2.081 219 R HA -0.033 4.307 4.340 0.000 0.000 0.235 219 R C 2.409 178.600 176.300 -0.181 0.000 1.131 219 R CA 1.413 57.395 56.100 -0.197 0.000 0.960 219 R CB -0.602 29.555 30.300 -0.238 0.000 0.856 219 R HN 0.288 nan 8.270 nan 0.000 0.436 220 L N -0.310 120.816 121.223 -0.162 0.000 2.156 220 L HA -0.071 4.269 4.340 0.000 0.000 0.208 220 L C 2.113 178.888 176.870 -0.158 0.000 1.095 220 L CA 1.642 56.382 54.840 -0.166 0.000 0.770 220 L CB -0.617 41.331 42.059 -0.185 0.000 0.914 220 L HN 0.287 nan 8.230 nan 0.000 0.439 221 T N -0.982 113.491 114.554 -0.134 0.000 2.777 221 T HA -0.149 4.201 4.350 0.000 0.000 0.266 221 T C 1.320 175.960 174.700 -0.100 0.000 1.040 221 T CA 1.270 63.304 62.100 -0.110 0.000 1.141 221 T CB -0.179 68.636 68.868 -0.088 0.000 0.868 221 T HN 0.261 nan 8.240 nan 0.000 0.444 222 D N 1.053 121.388 120.400 -0.108 0.000 2.371 222 D HA 0.113 4.753 4.640 0.000 0.000 0.221 222 D C 1.609 177.851 176.300 -0.098 0.000 0.986 222 D CA 0.353 54.293 54.000 -0.101 0.000 0.899 222 D CB -0.050 40.678 40.800 -0.120 0.000 0.902 222 D HN 0.429 nan 8.370 nan 0.000 0.530 223 A N -0.002 122.755 122.820 -0.104 0.000 2.390 223 A HA 0.142 4.462 4.320 0.000 0.000 0.232 223 A C 0.519 178.065 177.584 -0.063 0.000 1.233 223 A CA 0.119 52.109 52.037 -0.079 0.000 0.907 223 A CB 0.362 19.316 19.000 -0.077 0.000 0.967 223 A HN -0.010 nan 8.150 nan 0.000 0.512 224 D N -2.346 118.006 120.400 -0.080 0.000 2.870 224 D HA -0.202 4.438 4.640 0.000 0.000 0.228 224 D C 0.761 176.997 176.300 -0.108 0.000 1.147 224 D CA 1.102 55.061 54.000 -0.069 0.000 0.757 224 D CB -1.233 39.553 40.800 -0.023 0.000 1.091 224 D HN 0.535 nan 8.370 nan 0.000 0.429 225 A N -0.846 121.833 122.820 -0.235 0.000 2.197 225 A HA 0.160 4.480 4.320 0.000 0.000 0.210 225 A C 2.061 179.152 177.584 -0.822 0.000 1.180 225 A CA 0.393 52.074 52.037 -0.594 0.000 0.846 225 A CB -0.006 18.786 19.000 -0.347 0.000 0.884 225 A HN 0.280 nan 8.150 nan 0.000 0.487 226 M N 1.299 120.653 119.600 -0.409 0.000 2.149 226 M HA -0.174 4.306 4.480 0.000 0.000 0.261 226 M C 2.007 178.150 176.300 -0.261 0.000 1.064 226 M CA 1.978 57.101 55.300 -0.295 0.000 1.102 226 M CB -0.956 31.547 32.600 -0.161 0.000 1.369 226 M HN 0.681 nan 8.290 nan 0.000 0.408 227 K N 0.145 120.417 120.400 -0.212 0.000 2.362 227 K HA -0.189 4.131 4.320 0.000 0.000 0.202 227 K C 0.784 177.422 176.600 0.064 0.000 1.045 227 K CA 1.682 57.942 56.287 -0.045 0.000 0.936 227 K CB -0.727 31.790 32.500 0.027 0.000 0.747 227 K HN 0.546 nan 8.250 nan 0.000 0.467 228 Y N -1.022 119.305 120.300 0.045 0.000 2.682 228 Y HA 0.464 5.014 4.550 0.000 0.000 0.251 228 Y C -0.594 175.348 175.900 0.070 0.000 1.172 228 Y CA -1.125 57.023 58.100 0.081 0.000 1.186 228 Y CB 0.076 38.516 38.460 -0.035 0.000 1.216 228 Y HN -0.207 nan 8.280 nan 0.000 0.540 229 T N 2.496 117.038 114.554 -0.020 0.000 2.887 229 T HA 0.645 4.995 4.350 0.000 0.000 0.288 229 T C -0.615 174.109 174.700 0.039 0.000 1.021 229 T CA -0.454 61.649 62.100 0.004 0.000 1.000 229 T CB 2.017 70.810 68.868 -0.126 0.000 1.034 229 T HN 0.152 nan 8.240 nan 0.000 0.467 230 I N 2.065 122.677 120.570 0.071 0.000 2.378 230 I HA 0.464 4.634 4.170 0.000 0.000 0.291 230 I C -0.577 175.582 176.117 0.069 0.000 0.992 230 I CA -1.067 60.273 61.300 0.068 0.000 1.154 230 I CB 1.778 39.831 38.000 0.088 0.000 1.315 230 I HN 0.227 nan 8.210 nan 0.000 0.448 231 V N 7.294 127.245 119.914 0.061 0.000 2.370 231 V HA 0.326 4.446 4.120 0.000 0.000 0.283 231 V C -0.032 176.098 176.094 0.060 0.000 1.023 231 V CA -0.593 61.764 62.300 0.095 0.000 0.857 231 V CB 1.824 33.703 31.823 0.093 0.000 0.985 231 V HN 0.415 nan 8.190 nan 0.000 0.443 232 V N 4.484 124.424 119.914 0.044 0.000 2.347 232 V HA 0.490 4.610 4.120 0.000 0.000 0.280 232 V C 0.158 176.257 176.094 0.008 0.000 1.021 232 V CA -0.151 62.155 62.300 0.010 0.000 0.847 232 V CB 1.681 33.496 31.823 -0.014 0.000 0.990 232 V HN 0.822 nan 8.190 nan 0.000 0.444 233 S N 4.011 119.721 115.700 0.016 0.000 2.552 233 S HA 0.797 5.267 4.470 0.000 0.000 0.314 233 S C -0.216 174.396 174.600 0.019 0.000 1.099 233 S CA -0.073 58.142 58.200 0.026 0.000 1.070 233 S CB 1.273 64.499 63.200 0.043 0.000 0.998 233 S HN 1.074 nan 8.310 nan 0.000 0.474 234 A N 4.186 127.018 122.820 0.020 0.000 3.082 234 A HA 0.556 4.876 4.320 0.000 0.000 0.328 234 A C 0.318 177.926 177.584 0.039 0.000 1.089 234 A CA -0.653 51.403 52.037 0.031 0.000 0.802 234 A CB -0.107 18.913 19.000 0.033 0.000 1.138 234 A HN 0.842 nan 8.150 nan 0.000 0.474 235 T N -1.502 113.076 114.554 0.041 0.000 2.754 235 T HA 0.515 4.865 4.350 0.000 0.000 0.286 235 T C 1.642 176.369 174.700 0.045 0.000 0.997 235 T CA 0.073 62.199 62.100 0.043 0.000 0.982 235 T CB 1.030 69.923 68.868 0.042 0.000 1.027 235 T HN 1.244 nan 8.240 nan 0.000 0.529 236 A N 0.839 123.685 122.820 0.043 0.000 2.054 236 A HA -0.145 4.175 4.320 0.000 0.000 0.223 236 A C 2.402 180.009 177.584 0.040 0.000 1.169 236 A CA 2.354 54.416 52.037 0.042 0.000 0.655 236 A CB -1.382 17.641 19.000 0.038 0.000 0.812 236 A HN 1.213 nan 8.150 nan 0.000 0.462 237 S N -1.157 114.565 115.700 0.037 0.000 2.540 237 S HA 0.118 4.588 4.470 0.000 0.000 0.218 237 S C -0.071 174.552 174.600 0.038 0.000 0.977 237 S CA -0.302 57.919 58.200 0.033 0.000 0.918 237 S CB -0.071 63.146 63.200 0.028 0.000 0.806 237 S HN 0.397 nan 8.310 nan 0.000 0.496 238 D N 2.762 123.190 120.400 0.047 0.000 2.302 238 D HA 0.509 5.149 4.640 0.000 0.000 0.248 238 D C 0.273 176.614 176.300 0.069 0.000 1.094 238 D CA 0.106 54.140 54.000 0.057 0.000 0.897 238 D CB 1.571 42.409 40.800 0.063 0.000 1.200 238 D HN 0.439 nan 8.370 nan 0.000 0.429 239 A N 1.527 124.392 122.820 0.075 0.000 2.531 239 A HA 0.321 4.641 4.320 0.000 0.000 0.236 239 A C 1.472 179.124 177.584 0.113 0.000 1.062 239 A CA 0.400 52.483 52.037 0.076 0.000 0.760 239 A CB 0.300 19.341 19.000 0.068 0.000 0.995 239 A HN 0.656 nan 8.150 nan 0.000 0.501 240 A N 3.668 126.546 122.820 0.097 0.000 1.915 240 A HA -0.156 4.164 4.320 0.000 0.000 0.220 240 A C -0.085 177.629 177.584 0.216 0.000 1.198 240 A CA 2.356 54.470 52.037 0.129 0.000 0.647 240 A CB -1.858 17.190 19.000 0.080 0.000 0.825 240 A HN 0.660 nan 8.150 nan 0.000 0.456 241 P HA -0.137 nan 4.420 nan 0.000 0.216 241 P C 1.421 179.066 177.300 0.575 0.000 1.150 241 P CA 0.964 64.298 63.100 0.390 0.000 0.837 241 P CB -0.163 31.666 31.700 0.215 0.000 0.786 242 L N -1.024 120.435 121.223 0.393 0.000 2.056 242 L HA -0.172 4.168 4.340 0.000 0.000 0.207 242 L C 2.624 179.596 176.870 0.171 0.000 1.078 242 L CA 1.506 56.493 54.840 0.246 0.000 0.749 242 L CB -0.963 41.191 42.059 0.158 0.000 0.901 242 L HN -0.016 nan 8.230 nan 0.000 0.433 243 Q N -1.109 118.803 119.800 0.187 0.000 2.167 243 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 243 Q C 2.070 178.179 176.000 0.181 0.000 0.970 243 Q CA 1.651 57.541 55.803 0.144 0.000 0.855 243 Q CB -0.221 28.599 28.738 0.138 0.000 0.911 243 Q HN 0.554 nan 8.270 nan 0.000 0.438 244 Y N 0.719 121.118 120.300 0.165 0.000 2.242 244 Y HA -0.182 4.368 4.550 0.000 0.000 0.291 244 Y C 1.834 177.873 175.900 0.233 0.000 1.137 244 Y CA 0.945 59.171 58.100 0.211 0.000 1.181 244 Y CB -0.083 38.558 38.460 0.300 0.000 0.989 244 Y HN 0.077 nan 8.280 nan 0.000 0.527 245 L N 0.773 121.991 121.223 -0.008 0.000 2.131 245 L HA 0.147 4.487 4.340 0.000 0.000 0.206 245 L C 2.538 179.353 176.870 -0.092 0.000 1.087 245 L CA 1.658 56.421 54.840 -0.127 0.000 0.767 245 L CB -1.241 40.736 42.059 -0.137 0.000 0.917 245 L HN 0.285 nan 8.230 nan 0.000 0.441 246 A N 0.904 123.677 122.820 -0.078 0.000 1.894 246 A HA -0.249 4.071 4.320 0.000 0.000 0.220 246 A C -0.010 177.511 177.584 -0.105 0.000 1.237 246 A CA 2.630 54.620 52.037 -0.079 0.000 0.660 246 A CB -2.400 16.570 19.000 -0.050 0.000 0.835 246 A HN 0.463 nan 8.150 nan 0.000 0.461 247 P HA -0.168 nan 4.420 nan 0.000 0.215 247 P C 1.082 178.199 177.300 -0.305 0.000 1.157 247 P CA 1.597 64.531 63.100 -0.278 0.000 0.868 247 P CB -0.367 30.904 31.700 -0.716 0.000 0.788 248 Y N 0.148 120.336 120.300 -0.187 0.000 2.207 248 Y HA -0.133 4.417 4.550 0.000 0.000 0.287 248 Y C 2.783 178.631 175.900 -0.088 0.000 1.156 248 Y CA 1.496 59.499 58.100 -0.161 0.000 1.182 248 Y CB -1.564 36.752 38.460 -0.241 0.000 0.979 248 Y HN -0.061 nan 8.280 nan 0.000 0.521 249 S N -0.201 115.516 115.700 0.029 0.000 2.348 249 S HA -0.161 4.309 4.470 0.000 0.000 0.221 249 S C 2.465 177.074 174.600 0.015 0.000 1.033 249 S CA 1.235 59.435 58.200 -0.000 0.000 1.010 249 S CB -1.050 62.122 63.200 -0.046 0.000 0.891 249 S HN 0.654 nan 8.310 nan 0.000 0.442 250 G N 0.166 108.976 108.800 0.016 0.000 2.440 250 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 250 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 250 G C 1.753 176.690 174.900 0.062 0.000 1.154 250 G CA 1.129 46.246 45.100 0.029 0.000 0.767 250 G HN 0.583 nan 8.290 nan 0.000 0.552 251 C N 0.609 119.967 119.300 0.098 0.000 2.398 251 C HA -0.073 4.387 4.460 0.000 0.000 0.276 251 C C 3.312 178.358 174.990 0.094 0.000 1.222 251 C CA 1.837 60.925 59.018 0.117 0.000 1.746 251 C CB -1.019 26.794 27.740 0.121 0.000 2.039 251 C HN 0.378 nan 8.230 nan 0.000 0.470 252 S N 0.398 116.143 115.700 0.075 0.000 2.382 252 S HA -0.181 4.289 4.470 0.000 0.000 0.228 252 S C 1.702 176.346 174.600 0.074 0.000 1.027 252 S CA 2.081 60.318 58.200 0.062 0.000 0.991 252 S CB -0.375 62.847 63.200 0.037 0.000 0.823 252 S HN 0.670 nan 8.310 nan 0.000 0.469 253 M N 0.824 120.468 119.600 0.074 0.000 2.229 253 M HA -0.021 4.459 4.480 0.000 0.000 0.264 253 M C 2.419 178.863 176.300 0.239 0.000 1.063 253 M CA 1.354 56.711 55.300 0.095 0.000 1.114 253 M CB -0.687 31.962 32.600 0.081 0.000 1.387 253 M HN 0.435 nan 8.290 nan 0.000 0.420 254 G N 0.053 108.992 108.800 0.231 0.000 2.403 254 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 254 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 254 G C 1.348 176.422 174.900 0.289 0.000 1.154 254 G CA 0.426 45.712 45.100 0.311 0.000 0.784 254 G HN 0.469 nan 8.290 nan 0.000 0.538 255 E N -0.547 119.754 120.200 0.169 0.000 2.153 255 E HA -0.175 4.175 4.350 0.000 0.000 0.194 255 E C 1.943 178.583 176.600 0.066 0.000 0.988 255 E CA 0.779 57.240 56.400 0.103 0.000 0.811 255 E CB -0.242 29.499 29.700 0.068 0.000 0.746 255 E HN 0.627 nan 8.360 nan 0.000 0.466 256 Y N 0.459 120.711 120.300 -0.079 0.000 2.165 256 Y HA -0.287 4.263 4.550 0.000 0.000 0.286 256 Y C 1.668 177.387 175.900 -0.301 0.000 1.155 256 Y CA 1.682 59.634 58.100 -0.246 0.000 1.164 256 Y CB -0.297 37.900 38.460 -0.438 0.000 0.978 256 Y HN -0.061 nan 8.280 nan 0.000 0.513 257 F N 0.090 120.009 119.950 -0.051 0.000 2.163 257 F HA -0.023 4.504 4.527 0.000 0.000 0.297 257 F C 2.748 178.440 175.800 -0.179 0.000 1.094 257 F CA 1.587 59.488 58.000 -0.164 0.000 1.290 257 F CB -0.811 38.179 39.000 -0.015 0.000 1.017 257 F HN -0.109 nan 8.300 nan 0.000 0.483 258 R N 0.649 121.207 120.500 0.096 0.000 2.117 258 R HA -0.193 4.147 4.340 0.000 0.000 0.243 258 R C 0.904 177.173 176.300 -0.052 0.000 1.143 258 R CA 2.143 58.251 56.100 0.013 0.000 0.968 258 R CB -0.427 29.898 30.300 0.043 0.000 0.863 258 R HN 0.175 nan 8.270 nan 0.000 0.444 259 D N -0.316 120.030 120.400 -0.089 0.000 2.339 259 D HA 0.027 4.667 4.640 0.000 0.000 0.217 259 D C 0.023 176.233 176.300 -0.149 0.000 1.050 259 D CA 0.405 54.352 54.000 -0.088 0.000 0.856 259 D CB 0.178 40.936 40.800 -0.070 0.000 0.922 259 D HN 0.188 nan 8.370 nan 0.000 0.518 260 N N -0.023 118.535 118.700 -0.237 0.000 2.467 260 N HA 0.177 4.917 4.740 0.000 0.000 0.278 260 N C 0.805 176.215 175.510 -0.166 0.000 1.306 260 N CA 0.036 52.935 53.050 -0.251 0.000 0.905 260 N CB 1.331 39.542 38.487 -0.460 0.000 1.236 260 N HN 0.058 nan 8.380 nan 0.000 0.509 261 G N 0.993 109.713 108.800 -0.133 0.000 2.168 261 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 261 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 261 G C 0.240 175.025 174.900 -0.192 0.000 0.997 261 G CA 0.732 45.755 45.100 -0.127 0.000 0.708 261 G HN 0.353 nan 8.290 nan 0.000 0.520 262 K N -0.796 119.478 120.400 -0.209 0.000 2.312 262 K HA 0.716 5.036 4.320 0.000 0.000 0.236 262 K C -0.363 175.991 176.600 -0.409 0.000 1.079 262 K CA -1.010 55.179 56.287 -0.164 0.000 0.900 262 K CB 1.093 33.682 32.500 0.150 0.000 1.297 262 K HN 0.286 nan 8.250 nan 0.000 0.498 263 H N -0.535 118.639 119.070 0.173 0.000 2.589 263 H HA 0.558 5.114 4.556 0.000 0.000 0.351 263 H C -1.139 174.229 175.328 0.068 0.000 1.074 263 H CA -0.776 55.326 56.048 0.091 0.000 1.203 263 H CB 2.027 31.796 29.762 0.011 0.000 1.558 263 H HN 0.685 nan 8.280 nan 0.000 0.522 264 A N 2.725 125.624 122.820 0.131 0.000 2.454 264 A HA 0.562 4.882 4.320 0.000 0.000 0.302 264 A C -1.423 176.176 177.584 0.025 0.000 1.079 264 A CA -0.680 51.371 52.037 0.023 0.000 0.731 264 A CB 2.034 21.042 19.000 0.013 0.000 1.299 264 A HN 0.446 nan 8.150 nan 0.000 0.413 265 L N 1.663 122.880 121.223 -0.009 0.000 2.341 265 L HA 0.826 5.166 4.340 0.000 0.000 0.278 265 L C -1.066 175.764 176.870 -0.066 0.000 1.005 265 L CA -0.461 54.362 54.840 -0.027 0.000 0.818 265 L CB 1.260 43.310 42.059 -0.014 0.000 1.259 265 L HN 0.675 nan 8.230 nan 0.000 0.418 266 I N 5.352 125.835 120.570 -0.145 0.000 2.498 266 I HA 0.540 4.710 4.170 0.000 0.000 0.290 266 I C -1.245 174.602 176.117 -0.450 0.000 1.032 266 I CA -0.473 60.642 61.300 -0.308 0.000 1.073 266 I CB 1.508 39.260 38.000 -0.414 0.000 1.251 266 I HN 0.620 nan 8.210 nan 0.000 0.426 267 I N 7.725 128.035 120.570 -0.434 0.000 2.378 267 I HA 0.259 4.429 4.170 0.000 0.000 0.291 267 I C -1.287 174.492 176.117 -0.562 0.000 0.992 267 I CA -0.451 60.622 61.300 -0.378 0.000 1.154 267 I CB 1.155 39.089 38.000 -0.110 0.000 1.315 267 I HN 0.410 nan 8.210 nan 0.000 0.448 268 Y N 3.986 124.150 120.300 -0.226 0.000 2.717 268 Y HA 0.323 4.873 4.550 0.000 0.000 0.329 268 Y C -0.170 175.574 175.900 -0.260 0.000 1.017 268 Y CA -0.964 56.971 58.100 -0.276 0.000 1.275 268 Y CB 0.378 38.671 38.460 -0.277 0.000 1.109 268 Y HN 0.393 nan 8.280 nan 0.000 0.511 269 D N 3.300 123.572 120.400 -0.213 0.000 2.477 269 D HA 0.205 4.845 4.640 0.000 0.000 0.239 269 D C -1.015 175.226 176.300 -0.099 0.000 1.102 269 D CA -0.342 53.566 54.000 -0.152 0.000 0.901 269 D CB 0.300 40.993 40.800 -0.178 0.000 1.026 269 D HN 0.672 nan 8.370 nan 0.000 0.515 270 D N 0.354 120.722 120.400 -0.053 0.000 2.566 270 D HA 0.271 4.911 4.640 0.000 0.000 0.254 270 D C 0.890 177.144 176.300 -0.076 0.000 1.090 270 D CA -0.739 53.227 54.000 -0.057 0.000 1.034 270 D CB 1.176 41.956 40.800 -0.033 0.000 1.434 270 D HN 0.093 nan 8.370 nan 0.000 0.509 271 L N 0.046 121.188 121.223 -0.136 0.000 2.418 271 L HA 0.008 4.348 4.340 0.000 0.000 0.218 271 L C 1.902 178.734 176.870 -0.063 0.000 1.125 271 L CA 0.361 55.065 54.840 -0.225 0.000 0.835 271 L CB -0.291 41.405 42.059 -0.605 0.000 0.953 271 L HN 0.431 nan 8.230 nan 0.000 0.454 272 S N 0.304 115.989 115.700 -0.025 0.000 2.359 272 S HA -0.188 4.282 4.470 0.000 0.000 0.224 272 S C 1.944 176.600 174.600 0.094 0.000 1.035 272 S CA 1.402 59.628 58.200 0.043 0.000 1.018 272 S CB -0.067 63.156 63.200 0.038 0.000 0.876 272 S HN 0.389 nan 8.310 nan 0.000 0.448 273 K N 0.887 121.328 120.400 0.068 0.000 2.155 273 K HA -0.061 4.259 4.320 0.000 0.000 0.203 273 K C 2.438 179.107 176.600 0.115 0.000 1.052 273 K CA 0.773 57.113 56.287 0.087 0.000 0.948 273 K CB -0.156 32.379 32.500 0.058 0.000 0.728 273 K HN 0.368 nan 8.250 nan 0.000 0.448 274 Q N 0.883 120.742 119.800 0.098 0.000 2.084 274 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 274 Q C 2.015 178.153 176.000 0.229 0.000 0.978 274 Q CA 1.528 57.415 55.803 0.140 0.000 0.844 274 Q CB -0.067 28.712 28.738 0.068 0.000 0.898 274 Q HN 0.305 nan 8.270 nan 0.000 0.426 275 A N 0.620 123.576 122.820 0.227 0.000 1.972 275 A HA -0.129 4.191 4.320 0.000 0.000 0.219 275 A C 2.133 179.936 177.584 0.365 0.000 1.169 275 A CA 1.574 53.745 52.037 0.224 0.000 0.635 275 A CB -0.853 18.176 19.000 0.047 0.000 0.810 275 A HN 0.440 nan 8.150 nan 0.000 0.446 276 V N -2.331 117.768 119.914 0.308 0.000 2.548 276 V HA 0.029 4.149 4.120 0.000 0.000 0.249 276 V C 2.405 178.608 176.094 0.181 0.000 1.055 276 V CA 1.845 64.300 62.300 0.258 0.000 1.065 276 V CB -1.054 30.872 31.823 0.171 0.000 0.681 276 V HN 0.496 nan 8.190 nan 0.000 0.462 277 A N -0.505 122.431 122.820 0.194 0.000 1.877 277 A HA -0.187 4.133 4.320 0.000 0.000 0.216 277 A C 2.195 179.889 177.584 0.183 0.000 1.186 277 A CA 2.063 54.204 52.037 0.174 0.000 0.620 277 A CB -1.077 18.048 19.000 0.207 0.000 0.822 277 A HN 0.780 nan 8.150 nan 0.000 0.443 278 Y N 0.328 120.704 120.300 0.127 0.000 2.242 278 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 278 Y C 2.507 178.434 175.900 0.045 0.000 1.137 278 Y CA 1.903 60.041 58.100 0.064 0.000 1.181 278 Y CB -0.340 38.194 38.460 0.124 0.000 0.989 278 Y HN 0.336 nan 8.280 nan 0.000 0.527 279 R N 0.270 120.837 120.500 0.112 0.000 2.091 279 R HA -0.256 4.084 4.340 0.000 0.000 0.238 279 R C 2.438 178.673 176.300 -0.109 0.000 1.136 279 R CA 1.962 58.059 56.100 -0.005 0.000 0.959 279 R CB -0.411 29.894 30.300 0.008 0.000 0.856 279 R HN 0.551 nan 8.270 nan 0.000 0.437 280 Q N 0.211 119.973 119.800 -0.063 0.000 2.061 280 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 280 Q C 2.061 177.985 176.000 -0.125 0.000 0.984 280 Q CA 2.102 57.861 55.803 -0.072 0.000 0.846 280 Q CB -0.062 28.662 28.738 -0.024 0.000 0.902 280 Q HN 0.430 nan 8.270 nan 0.000 0.421 281 M N -0.199 119.292 119.600 -0.182 0.000 2.117 281 M HA -0.152 4.328 4.480 0.000 0.000 0.262 281 M C 2.363 178.481 176.300 -0.302 0.000 1.065 281 M CA 1.586 56.737 55.300 -0.248 0.000 1.114 281 M CB -0.032 32.369 32.600 -0.331 0.000 1.361 281 M HN 0.122 nan 8.290 nan 0.000 0.408 282 S N 0.862 116.311 115.700 -0.418 0.000 2.356 282 S HA -0.070 4.400 4.470 0.000 0.000 0.223 282 S C 1.886 176.376 174.600 -0.182 0.000 1.032 282 S CA 1.178 59.174 58.200 -0.340 0.000 1.005 282 S CB -0.475 62.499 63.200 -0.377 0.000 0.867 282 S HN 0.369 nan 8.310 nan 0.000 0.449 283 L N 1.096 122.229 121.223 -0.149 0.000 2.046 283 L HA -0.063 4.277 4.340 0.000 0.000 0.208 283 L C 2.200 179.018 176.870 -0.088 0.000 1.077 283 L CA 0.982 55.763 54.840 -0.099 0.000 0.747 283 L CB -0.573 41.434 42.059 -0.087 0.000 0.896 283 L HN 0.276 nan 8.230 nan 0.000 0.432 284 L N -0.583 120.582 121.223 -0.096 0.000 2.191 284 L HA -0.197 4.143 4.340 0.000 0.000 0.212 284 L C 2.224 179.047 176.870 -0.078 0.000 1.103 284 L CA 0.930 55.722 54.840 -0.080 0.000 0.769 284 L CB -0.298 41.713 42.059 -0.080 0.000 0.908 284 L HN 0.306 nan 8.230 nan 0.000 0.438 285 L N -0.725 120.440 121.223 -0.098 0.000 2.610 285 L HA 0.011 4.351 4.340 0.000 0.000 0.232 285 L C 0.799 177.631 176.870 -0.063 0.000 1.149 285 L CA 0.214 55.003 54.840 -0.084 0.000 0.872 285 L CB -0.143 41.853 42.059 -0.105 0.000 0.992 285 L HN 0.252 nan 8.230 nan 0.000 0.447 286 R N 0.151 120.614 120.500 -0.062 0.000 3.656 286 R HA -0.144 4.196 4.340 0.000 0.000 0.297 286 R C -0.082 176.195 176.300 -0.039 0.000 1.166 286 R CA 0.327 56.400 56.100 -0.045 0.000 0.799 286 R CB -1.515 28.764 30.300 -0.034 0.000 1.285 286 R HN 0.370 nan 8.270 nan 0.000 0.477 287 R N 1.418 121.888 120.500 -0.049 0.000 2.490 287 R HA 0.202 4.542 4.340 0.000 0.000 0.278 287 R C -1.924 174.366 176.300 -0.017 0.000 1.069 287 R CA -1.607 54.475 56.100 -0.030 0.000 1.080 287 R CB 0.345 30.622 30.300 -0.039 0.000 1.030 287 R HN -0.067 nan 8.270 nan 0.000 0.491 288 P HA 0.050 nan 4.420 nan 0.000 0.264 288 P C -2.383 174.932 177.300 0.024 0.000 1.229 288 P CA -1.004 62.101 63.100 0.009 0.000 0.780 288 P CB -0.003 31.706 31.700 0.015 0.000 0.808 289 P HA 0.223 nan 4.420 nan 0.000 0.275 289 P C 0.368 177.694 177.300 0.043 0.000 1.227 289 P CA 0.211 63.327 63.100 0.026 0.000 0.781 289 P CB 1.212 32.908 31.700 -0.007 0.000 0.906 290 G N 2.009 110.860 108.800 0.086 0.000 3.234 290 G HA2 0.325 4.285 3.960 0.000 0.000 0.159 290 G HA3 0.325 4.285 3.960 0.000 0.000 0.159 290 G C -0.532 174.400 174.900 0.053 0.000 1.175 290 G CA -0.863 44.276 45.100 0.066 0.000 0.900 290 G HN 0.531 nan 8.290 nan 0.000 0.621 291 R N 0.755 121.242 120.500 -0.021 0.000 2.494 291 R HA 0.047 4.387 4.340 0.000 0.000 0.291 291 R C 0.241 176.632 176.300 0.151 0.000 0.953 291 R CA 1.120 57.168 56.100 -0.087 0.000 1.098 291 R CB -0.262 29.719 30.300 -0.532 0.000 0.911 291 R HN 0.705 nan 8.270 nan 0.000 0.407 292 E N 2.477 122.744 120.200 0.112 0.000 2.971 292 E HA -0.356 3.994 4.350 0.000 0.000 0.271 292 E C 0.343 176.913 176.600 -0.051 0.000 1.053 292 E CA 0.552 57.021 56.400 0.116 0.000 0.817 292 E CB -1.130 28.759 29.700 0.316 0.000 1.410 292 E HN 0.885 nan 8.360 nan 0.000 0.445 293 A N -2.437 120.377 122.820 -0.011 0.000 3.201 293 A HA -0.288 4.032 4.320 0.000 0.000 0.260 293 A C 0.022 177.554 177.584 -0.088 0.000 1.222 293 A CA 1.564 53.556 52.037 -0.075 0.000 1.124 293 A CB -2.034 16.881 19.000 -0.143 0.000 1.155 293 A HN 0.394 nan 8.150 nan 0.000 0.924 294 Y N 0.484 120.884 120.300 0.168 0.000 2.336 294 Y HA 0.461 5.011 4.550 0.000 0.000 0.331 294 Y C -1.536 174.467 175.900 0.173 0.000 1.211 294 Y CA -1.355 56.848 58.100 0.172 0.000 1.346 294 Y CB 0.295 38.884 38.460 0.214 0.000 1.271 294 Y HN 0.220 nan 8.280 nan 0.000 0.538 295 P HA 0.034 nan 4.420 nan 0.000 0.271 295 P C 0.721 178.178 177.300 0.262 0.000 1.218 295 P CA 0.033 63.258 63.100 0.208 0.000 0.780 295 P CB 0.846 32.636 31.700 0.151 0.000 0.901 296 G N 2.092 111.019 108.800 0.211 0.000 2.516 296 G HA2 -0.227 3.733 3.960 0.000 0.000 0.221 296 G HA3 -0.227 3.733 3.960 0.000 0.000 0.221 296 G C 0.601 175.641 174.900 0.234 0.000 1.107 296 G CA 0.626 45.856 45.100 0.216 0.000 0.747 296 G HN 0.640 nan 8.290 nan 0.000 0.567 297 D N 0.619 121.167 120.400 0.247 0.000 2.491 297 D HA 0.045 4.685 4.640 0.000 0.000 0.228 297 D C 1.978 178.407 176.300 0.215 0.000 1.183 297 D CA 0.200 54.365 54.000 0.274 0.000 0.827 297 D CB -0.208 40.778 40.800 0.310 0.000 0.989 297 D HN 0.267 nan 8.370 nan 0.000 0.494 298 V N -2.018 117.980 119.914 0.140 0.000 2.548 298 V HA -0.095 4.025 4.120 0.000 0.000 0.249 298 V C 2.275 178.247 176.094 -0.203 0.000 1.055 298 V CA 0.721 62.965 62.300 -0.094 0.000 1.065 298 V CB -1.364 30.291 31.823 -0.279 0.000 0.681 298 V HN 0.133 nan 8.190 nan 0.000 0.462 299 F N 1.095 120.965 119.950 -0.132 0.000 2.069 299 F HA -0.212 4.315 4.527 0.000 0.000 0.298 299 F C 2.402 178.206 175.800 0.008 0.000 1.113 299 F CA 2.098 60.055 58.000 -0.071 0.000 1.214 299 F CB -0.633 38.383 39.000 0.026 0.000 0.978 299 F HN 0.186 nan 8.300 nan 0.000 0.474 300 Y N 0.655 120.904 120.300 -0.085 0.000 2.256 300 Y HA -0.200 4.350 4.550 0.000 0.000 0.288 300 Y C 2.164 177.938 175.900 -0.210 0.000 1.155 300 Y CA 1.551 59.565 58.100 -0.142 0.000 1.203 300 Y CB -0.942 37.536 38.460 0.030 0.000 0.980 300 Y HN 0.253 nan 8.280 nan 0.000 0.530 301 L N -0.263 120.761 121.223 -0.332 0.000 2.013 301 L HA -0.277 4.063 4.340 0.000 0.000 0.212 301 L C 2.179 178.870 176.870 -0.300 0.000 1.073 301 L CA 2.413 56.995 54.840 -0.430 0.000 0.753 301 L CB -0.751 40.970 42.059 -0.562 0.000 0.890 301 L HN 0.372 nan 8.230 nan 0.000 0.432 302 H N -2.166 116.695 119.070 -0.348 0.000 2.465 302 H HA 0.007 4.563 4.556 0.000 0.000 0.289 302 H C 2.366 177.456 175.328 -0.397 0.000 1.022 302 H CA 0.683 56.503 56.048 -0.380 0.000 1.340 302 H CB 0.106 29.657 29.762 -0.351 0.000 1.437 302 H HN 0.517 nan 8.280 nan 0.000 0.539 303 S N 1.904 117.364 115.700 -0.400 0.000 2.348 303 S HA -0.244 4.226 4.470 0.000 0.000 0.221 303 S C 2.147 176.642 174.600 -0.176 0.000 1.033 303 S CA 1.290 59.267 58.200 -0.371 0.000 1.010 303 S CB -0.293 62.550 63.200 -0.595 0.000 0.891 303 S HN 0.542 nan 8.310 nan 0.000 0.442 304 R N 0.837 121.228 120.500 -0.181 0.000 2.120 304 R HA 0.054 4.394 4.340 0.000 0.000 0.234 304 R C 2.350 178.606 176.300 -0.074 0.000 1.123 304 R CA 1.305 57.337 56.100 -0.113 0.000 0.975 304 R CB -0.847 29.306 30.300 -0.245 0.000 0.866 304 R HN 0.461 nan 8.270 nan 0.000 0.446 305 L N 1.293 122.457 121.223 -0.098 0.000 1.988 305 L HA -0.042 4.298 4.340 0.000 0.000 0.207 305 L C 2.142 178.933 176.870 -0.133 0.000 1.071 305 L CA 1.643 56.399 54.840 -0.140 0.000 0.744 305 L CB -0.254 41.562 42.059 -0.405 0.000 0.893 305 L HN 0.202 nan 8.230 nan 0.000 0.433 306 L N -0.549 120.586 121.223 -0.147 0.000 2.376 306 L HA -0.058 4.282 4.340 0.000 0.000 0.219 306 L C 2.348 179.201 176.870 -0.029 0.000 1.133 306 L CA 0.411 55.208 54.840 -0.071 0.000 0.816 306 L CB -0.585 41.419 42.059 -0.092 0.000 0.933 306 L HN 0.329 nan 8.230 nan 0.000 0.449 307 E N 0.510 120.689 120.200 -0.035 0.000 2.338 307 E HA -0.149 4.201 4.350 0.000 0.000 0.197 307 E C 1.997 178.597 176.600 -0.000 0.000 1.007 307 E CA 0.672 57.066 56.400 -0.011 0.000 0.849 307 E CB 0.102 29.801 29.700 -0.002 0.000 0.774 307 E HN 0.514 nan 8.360 nan 0.000 0.506 308 R N 0.386 120.890 120.500 0.006 0.000 2.275 308 R HA 0.110 4.450 4.340 0.000 0.000 0.199 308 R C 0.853 177.171 176.300 0.029 0.000 0.989 308 R CA 0.250 56.361 56.100 0.019 0.000 1.016 308 R CB 0.192 30.511 30.300 0.032 0.000 0.918 308 R HN -0.090 nan 8.270 nan 0.000 0.473 309 A N 1.359 124.199 122.820 0.034 0.000 2.404 309 A HA 0.608 4.928 4.320 0.000 0.000 0.273 309 A C -0.167 177.428 177.584 0.019 0.000 1.144 309 A CA 0.006 52.064 52.037 0.035 0.000 0.806 309 A CB 0.332 19.355 19.000 0.038 0.000 1.080 309 A HN 0.298 nan 8.150 nan 0.000 0.509 310 A N 2.422 125.254 122.820 0.019 0.000 2.610 310 A HA 0.741 5.061 4.320 0.000 0.000 0.291 310 A C -0.849 176.746 177.584 0.020 0.000 1.086 310 A CA -0.770 51.272 52.037 0.008 0.000 0.677 310 A CB 1.114 20.106 19.000 -0.013 0.000 1.278 310 A HN 0.827 nan 8.150 nan 0.000 0.414 311 K N 1.390 121.799 120.400 0.015 0.000 2.293 311 K HA 0.616 4.936 4.320 0.000 0.000 0.267 311 K C -0.780 175.830 176.600 0.017 0.000 1.010 311 K CA -0.304 56.002 56.287 0.033 0.000 0.875 311 K CB 0.532 33.051 32.500 0.032 0.000 1.106 311 K HN 0.592 nan 8.250 nan 0.000 0.450 312 M N 3.189 122.807 119.600 0.030 0.000 2.277 312 M HA 0.246 4.726 4.480 0.000 0.000 0.350 312 M C 0.205 176.550 176.300 0.075 0.000 1.180 312 M CA -0.879 54.437 55.300 0.027 0.000 1.103 312 M CB 0.550 33.177 32.600 0.044 0.000 1.577 312 M HN 0.739 nan 8.290 nan 0.000 0.459 313 N N 1.189 119.951 118.700 0.103 0.000 2.317 313 N HA 0.075 4.815 4.740 0.000 0.000 0.245 313 N C 0.117 175.711 175.510 0.141 0.000 1.294 313 N CA -0.189 52.933 53.050 0.121 0.000 0.924 313 N CB 0.485 39.050 38.487 0.130 0.000 1.186 313 N HN 0.422 nan 8.380 nan 0.000 0.495 314 D N -0.594 119.863 120.400 0.095 0.000 2.144 314 D HA -0.104 4.536 4.640 0.000 0.000 0.199 314 D C 1.633 177.956 176.300 0.039 0.000 0.984 314 D CA 1.657 55.694 54.000 0.061 0.000 0.834 314 D CB -0.661 40.160 40.800 0.036 0.000 0.955 314 D HN 0.719 nan 8.370 nan 0.000 0.465 315 A N -0.358 122.489 122.820 0.045 0.000 2.131 315 A HA -0.127 4.193 4.320 0.000 0.000 0.220 315 A C 1.298 178.726 177.584 -0.261 0.000 1.158 315 A CA 0.795 52.780 52.037 -0.087 0.000 0.665 315 A CB -0.579 18.374 19.000 -0.079 0.000 0.795 315 A HN 0.174 nan 8.150 nan 0.000 0.460 316 F N -1.566 118.375 119.950 -0.015 0.000 2.668 316 F HA 0.416 4.943 4.527 0.000 0.000 0.301 316 F C 1.615 177.393 175.800 -0.036 0.000 1.106 316 F CA 0.553 58.539 58.000 -0.023 0.000 1.289 316 F CB 0.771 39.760 39.000 -0.018 0.000 1.006 316 F HN 0.312 nan 8.300 nan 0.000 0.535 317 G N -0.366 108.470 108.800 0.059 0.000 2.213 317 G HA2 -0.146 3.814 3.960 0.000 0.000 0.226 317 G HA3 -0.146 3.814 3.960 0.000 0.000 0.226 317 G C 1.303 176.213 174.900 0.016 0.000 0.992 317 G CA -0.069 45.040 45.100 0.014 0.000 0.632 317 G HN 1.070 nan 8.290 nan 0.000 0.511 318 G N -0.473 108.359 108.800 0.055 0.000 2.168 318 G HA2 0.152 4.112 3.960 0.000 0.000 0.263 318 G HA3 0.152 4.112 3.960 0.000 0.000 0.263 318 G C 1.529 176.445 174.900 0.027 0.000 0.977 318 G CA 1.184 46.322 45.100 0.063 0.000 0.659 318 G HN 2.128 nan 8.290 nan 0.000 0.533 319 G N -0.510 108.240 108.800 -0.083 0.000 2.653 319 G HA2 0.723 4.683 3.960 0.000 0.000 0.265 319 G HA3 0.723 4.683 3.960 0.000 0.000 0.265 319 G C 0.326 175.171 174.900 -0.092 0.000 1.237 319 G CA 1.025 45.947 45.100 -0.297 0.000 0.946 319 G HN 1.841 nan 8.290 nan 0.000 0.522 320 S N -1.806 113.859 115.700 -0.058 0.000 2.625 320 S HA 0.640 5.110 4.470 0.000 0.000 0.271 320 S C -1.598 173.068 174.600 0.110 0.000 1.161 320 S CA -0.814 57.460 58.200 0.123 0.000 0.820 320 S CB 1.924 65.287 63.200 0.273 0.000 1.137 320 S HN 1.202 nan 8.310 nan 0.000 0.470 321 L N 1.305 122.579 121.223 0.086 0.000 2.441 321 L HA 0.697 5.037 4.340 0.000 0.000 0.270 321 L C -0.926 175.970 176.870 0.043 0.000 0.973 321 L CA 0.228 55.111 54.840 0.071 0.000 0.842 321 L CB 1.836 43.936 42.059 0.067 0.000 1.239 321 L HN 0.931 nan 8.230 nan 0.000 0.406 322 T N 4.089 118.658 114.554 0.025 0.000 2.829 322 T HA 0.856 5.206 4.350 0.000 0.000 0.282 322 T C -0.352 174.328 174.700 -0.033 0.000 0.990 322 T CA -0.211 61.888 62.100 -0.001 0.000 1.028 322 T CB 1.446 70.308 68.868 -0.010 0.000 0.951 322 T HN 0.785 nan 8.240 nan 0.000 0.460 323 A N 3.265 126.066 122.820 -0.031 0.000 2.343 323 A HA 0.745 5.065 4.320 0.000 0.000 0.316 323 A C -0.523 177.028 177.584 -0.055 0.000 1.104 323 A CA -0.725 51.276 52.037 -0.061 0.000 0.768 323 A CB 0.734 19.758 19.000 0.040 0.000 1.213 323 A HN 0.860 nan 8.150 nan 0.000 0.456 324 L N 4.272 125.432 121.223 -0.105 0.000 2.506 324 L HA 0.301 4.641 4.340 0.000 0.000 0.247 324 L C -2.318 174.518 176.870 -0.057 0.000 1.141 324 L CA -1.755 53.042 54.840 -0.072 0.000 0.973 324 L CB 1.107 43.127 42.059 -0.064 0.000 1.319 324 L HN 0.473 nan 8.230 nan 0.000 0.455 325 P HA 0.056 nan 4.420 nan 0.000 0.268 325 P C -0.345 176.923 177.300 -0.054 0.000 1.204 325 P CA 0.081 63.196 63.100 0.025 0.000 0.768 325 P CB 1.634 33.307 31.700 -0.046 0.000 0.842 326 V N 5.193 125.070 119.914 -0.061 0.000 2.513 326 V HA 0.408 4.528 4.120 0.000 0.000 0.299 326 V C 0.395 176.438 176.094 -0.086 0.000 1.035 326 V CA -0.566 61.694 62.300 -0.067 0.000 0.889 326 V CB 1.691 33.489 31.823 -0.042 0.000 0.988 326 V HN 0.416 nan 8.190 nan 0.000 0.440 327 I N 3.436 123.959 120.570 -0.079 0.000 2.545 327 I HA 0.456 4.626 4.170 0.000 0.000 0.292 327 I C -0.122 175.975 176.117 -0.034 0.000 1.040 327 I CA -0.483 60.777 61.300 -0.066 0.000 1.068 327 I CB 2.106 40.060 38.000 -0.077 0.000 1.251 327 I HN 0.726 nan 8.210 nan 0.000 0.424 328 E N 4.552 124.746 120.200 -0.010 0.000 2.133 328 E HA 0.429 4.779 4.350 0.000 0.000 0.274 328 E C -0.605 176.009 176.600 0.024 0.000 0.930 328 E CA -0.363 56.041 56.400 0.006 0.000 0.770 328 E CB 1.303 31.011 29.700 0.014 0.000 1.104 328 E HN 0.713 nan 8.360 nan 0.000 0.403 329 T N 1.640 116.211 114.554 0.028 0.000 2.912 329 T HA 0.352 4.702 4.350 0.000 0.000 0.280 329 T C -0.043 174.680 174.700 0.039 0.000 0.989 329 T CA -1.021 61.105 62.100 0.044 0.000 0.995 329 T CB 1.504 70.406 68.868 0.057 0.000 1.077 329 T HN 0.303 nan 8.240 nan 0.000 0.531 330 Q N 0.358 120.186 119.800 0.046 0.000 2.333 330 Q HA 0.537 4.877 4.340 0.000 0.000 0.265 330 Q C 0.337 176.352 176.000 0.026 0.000 0.989 330 Q CA -0.245 55.580 55.803 0.036 0.000 0.842 330 Q CB 1.301 30.067 28.738 0.047 0.000 1.262 330 Q HN 1.214 nan 8.270 nan 0.000 0.451 331 A N 2.413 125.239 122.820 0.009 0.000 2.596 331 A HA -0.163 4.157 4.320 0.000 0.000 0.300 331 A C 1.131 178.715 177.584 -0.000 0.000 1.495 331 A CA 1.270 53.304 52.037 -0.005 0.000 0.769 331 A CB -2.130 16.869 19.000 -0.001 0.000 1.047 331 A HN 1.504 nan 8.150 nan 0.000 0.436 332 G N -0.795 108.009 108.800 0.007 0.000 2.258 332 G HA2 -0.239 3.721 3.960 0.000 0.000 0.274 332 G HA3 -0.239 3.721 3.960 0.000 0.000 0.274 332 G C -0.017 174.906 174.900 0.037 0.000 1.021 332 G CA 0.970 46.083 45.100 0.021 0.000 0.798 332 G HN 1.545 nan 8.290 nan 0.000 0.507 333 D N 0.417 120.844 120.400 0.045 0.000 2.470 333 D HA 0.348 4.988 4.640 0.000 0.000 0.226 333 D C 1.653 178.001 176.300 0.080 0.000 1.196 333 D CA 0.195 54.227 54.000 0.055 0.000 0.979 333 D CB 0.338 41.170 40.800 0.054 0.000 1.059 333 D HN 0.565 nan 8.370 nan 0.000 0.515 334 V N 0.961 120.933 119.914 0.096 0.000 3.563 334 V HA 0.199 4.319 4.120 0.000 0.000 0.299 334 V C 1.006 177.173 176.094 0.123 0.000 1.290 334 V CA 0.097 62.482 62.300 0.142 0.000 1.201 334 V CB -0.060 31.911 31.823 0.246 0.000 1.045 334 V HN 0.265 nan 8.190 nan 0.000 0.425 335 S N 0.365 116.122 115.700 0.094 0.000 2.603 335 S HA 0.631 5.101 4.470 0.000 0.000 0.232 335 S C 1.209 175.870 174.600 0.101 0.000 1.016 335 S CA 0.257 58.511 58.200 0.089 0.000 0.976 335 S CB 0.494 63.731 63.200 0.062 0.000 0.921 335 S HN 0.872 nan 8.310 nan 0.000 0.516 336 A N 0.840 123.727 122.820 0.112 0.000 2.387 336 A HA 0.311 4.631 4.320 0.000 0.000 0.251 336 A C 0.962 178.668 177.584 0.204 0.000 1.113 336 A CA 0.008 52.132 52.037 0.145 0.000 0.794 336 A CB -0.208 18.875 19.000 0.139 0.000 1.069 336 A HN 0.327 nan 8.150 nan 0.000 0.506 337 Y N 0.446 120.787 120.300 0.069 0.000 2.049 337 Y HA -0.219 4.331 4.550 0.000 0.000 0.277 337 Y C 2.049 177.962 175.900 0.021 0.000 1.143 337 Y CA 2.134 60.266 58.100 0.054 0.000 1.115 337 Y CB -0.419 38.090 38.460 0.082 0.000 0.975 337 Y HN 0.467 nan 8.280 nan 0.000 0.487 338 I N 0.737 121.285 120.570 -0.036 0.000 2.142 338 I HA -0.212 3.958 4.170 0.000 0.000 0.240 338 I C -0.333 175.767 176.117 -0.027 0.000 1.078 338 I CA 1.459 62.649 61.300 -0.184 0.000 1.343 338 I CB -2.932 34.931 38.000 -0.228 0.000 1.046 338 I HN 0.161 nan 8.210 nan 0.000 0.405 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.814 179.158 177.300 0.073 0.000 1.153 339 P CA 2.324 65.451 63.100 0.045 0.000 0.853 339 P CB -0.360 31.384 31.700 0.073 0.000 0.788 340 T N -3.724 110.896 114.554 0.110 0.000 2.821 340 T HA -0.094 4.256 4.350 0.000 0.000 0.267 340 T C 1.740 176.527 174.700 0.145 0.000 1.046 340 T CA 1.070 63.248 62.100 0.129 0.000 1.139 340 T CB -1.078 67.876 68.868 0.144 0.000 0.871 340 T HN -0.040 nan 8.240 nan 0.000 0.454 341 N N 1.592 120.381 118.700 0.148 0.000 2.025 341 N HA -0.068 4.672 4.740 0.000 0.000 0.194 341 N C 2.043 177.665 175.510 0.187 0.000 1.044 341 N CA 1.447 54.635 53.050 0.229 0.000 0.851 341 N CB -0.924 37.647 38.487 0.141 0.000 1.036 341 N HN 0.330 nan 8.380 nan 0.000 0.422 342 V N 1.947 121.909 119.914 0.080 0.000 2.343 342 V HA -0.166 3.954 4.120 0.000 0.000 0.247 342 V C 2.285 178.395 176.094 0.027 0.000 1.051 342 V CA 0.923 63.234 62.300 0.018 0.000 1.036 342 V CB -0.449 31.342 31.823 -0.054 0.000 0.654 342 V HN 0.193 nan 8.190 nan 0.000 0.451 343 I N 1.483 122.078 120.570 0.043 0.000 2.185 343 I HA -0.229 3.941 4.170 0.000 0.000 0.246 343 I C 2.368 178.531 176.117 0.075 0.000 1.088 343 I CA 2.265 63.593 61.300 0.048 0.000 1.347 343 I CB -1.524 36.526 38.000 0.085 0.000 1.041 343 I HN 0.458 nan 8.210 nan 0.000 0.415 344 S N -0.004 115.770 115.700 0.122 0.000 2.603 344 S HA 0.137 4.607 4.470 0.000 0.000 0.220 344 S C 1.731 176.437 174.600 0.176 0.000 0.967 344 S CA 0.198 58.489 58.200 0.152 0.000 0.920 344 S CB 0.059 63.361 63.200 0.171 0.000 0.773 344 S HN 0.287 nan 8.310 nan 0.000 0.529 345 I N 2.269 122.910 120.570 0.118 0.000 2.681 345 I HA 0.024 4.194 4.170 0.000 0.000 0.247 345 I C 1.766 177.898 176.117 0.024 0.000 1.091 345 I CA 0.906 62.237 61.300 0.052 0.000 1.442 345 I CB -1.874 36.095 38.000 -0.051 0.000 1.219 345 I HN 0.374 nan 8.210 nan 0.000 0.451 346 T N -0.420 114.137 114.554 0.004 0.000 2.667 346 T HA 0.057 4.407 4.350 0.000 0.000 0.305 346 T C 0.560 175.264 174.700 0.008 0.000 1.022 346 T CA -0.218 61.877 62.100 -0.007 0.000 0.995 346 T CB 0.889 69.738 68.868 -0.033 0.000 1.026 346 T HN 0.123 nan 8.240 nan 0.000 0.527 347 D N 0.077 120.478 120.400 0.001 0.000 2.342 347 D HA 0.376 5.016 4.640 0.000 0.000 0.221 347 D C 0.933 177.239 176.300 0.009 0.000 1.101 347 D CA 0.367 54.373 54.000 0.010 0.000 0.837 347 D CB 0.155 40.959 40.800 0.007 0.000 0.938 347 D HN 0.922 nan 8.370 nan 0.000 0.508 348 G N 0.238 109.037 108.800 -0.001 0.000 2.341 348 G HA2 0.306 4.266 3.960 0.000 0.000 0.293 348 G HA3 0.306 4.266 3.960 0.000 0.000 0.293 348 G C -1.956 172.912 174.900 -0.054 0.000 1.298 348 G CA -0.869 44.231 45.100 0.000 0.000 0.868 348 G HN 0.018 nan 8.290 nan 0.000 0.540 349 Q N -1.151 118.603 119.800 -0.077 0.000 2.391 349 Q HA 0.682 5.022 4.340 0.000 0.000 0.279 349 Q C -0.925 174.950 176.000 -0.208 0.000 1.028 349 Q CA -0.501 55.150 55.803 -0.253 0.000 0.836 349 Q CB 2.696 31.068 28.738 -0.610 0.000 1.414 349 Q HN 0.620 nan 8.270 nan 0.000 0.397 350 I N 2.434 122.859 120.570 -0.240 0.000 2.359 350 I HA 0.373 4.543 4.170 0.000 0.000 0.284 350 I C -0.981 175.037 176.117 -0.164 0.000 1.018 350 I CA -0.443 60.796 61.300 -0.102 0.000 1.173 350 I CB 0.420 38.394 38.000 -0.042 0.000 1.326 350 I HN 0.469 nan 8.210 nan 0.000 0.462 351 F N 6.543 126.502 119.950 0.014 0.000 2.420 351 F HA 0.423 4.950 4.527 0.000 0.000 0.352 351 F C 0.202 176.011 175.800 0.015 0.000 1.108 351 F CA -0.363 57.644 58.000 0.011 0.000 1.162 351 F CB 0.776 39.782 39.000 0.010 0.000 1.118 351 F HN 0.170 nan 8.300 nan 0.000 0.510 352 L N 3.846 125.168 121.223 0.166 0.000 2.317 352 L HA 0.477 4.817 4.340 0.000 0.000 0.281 352 L C -0.415 176.516 176.870 0.103 0.000 1.024 352 L CA -0.669 54.238 54.840 0.112 0.000 0.810 352 L CB 1.577 43.664 42.059 0.047 0.000 1.240 352 L HN 0.580 nan 8.230 nan 0.000 0.427 353 E N 1.465 121.725 120.200 0.099 0.000 2.176 353 E HA 0.221 4.571 4.350 0.000 0.000 0.267 353 E C 0.072 176.717 176.600 0.075 0.000 0.893 353 E CA -0.450 55.989 56.400 0.066 0.000 0.761 353 E CB 2.257 31.989 29.700 0.053 0.000 1.133 353 E HN 0.558 nan 8.360 nan 0.000 0.409 354 T N 2.384 116.926 114.554 -0.020 0.000 2.624 354 T HA -0.203 4.147 4.350 0.000 0.000 0.268 354 T C 1.361 176.034 174.700 -0.045 0.000 1.041 354 T CA 1.395 63.414 62.100 -0.136 0.000 1.159 354 T CB -0.016 68.607 68.868 -0.409 0.000 0.863 354 T HN 0.409 nan 8.240 nan 0.000 0.434 355 E N 1.206 121.373 120.200 -0.055 0.000 2.085 355 E HA -0.058 4.292 4.350 0.000 0.000 0.194 355 E C 2.331 179.000 176.600 0.115 0.000 0.994 355 E CA 0.799 57.212 56.400 0.023 0.000 0.801 355 E CB -0.688 29.004 29.700 -0.012 0.000 0.743 355 E HN 0.488 nan 8.360 nan 0.000 0.453 356 L N -0.357 120.939 121.223 0.123 0.000 2.046 356 L HA -0.142 4.198 4.340 0.000 0.000 0.208 356 L C 2.460 179.447 176.870 0.195 0.000 1.077 356 L CA 1.077 55.997 54.840 0.133 0.000 0.747 356 L CB -0.446 41.687 42.059 0.124 0.000 0.896 356 L HN 0.029 nan 8.230 nan 0.000 0.432 357 F N -0.081 119.955 119.950 0.142 0.000 2.075 357 F HA -0.241 4.286 4.527 0.000 0.000 0.297 357 F C 1.920 177.874 175.800 0.257 0.000 1.113 357 F CA 1.337 59.457 58.000 0.201 0.000 1.218 357 F CB -0.234 38.930 39.000 0.274 0.000 0.984 357 F HN -0.031 nan 8.300 nan 0.000 0.472 358 Y N 0.689 121.091 120.300 0.170 0.000 2.542 358 Y HA 0.056 4.606 4.550 0.000 0.000 0.326 358 Y C 1.815 177.711 175.900 -0.007 0.000 1.218 358 Y CA 0.218 58.361 58.100 0.071 0.000 1.277 358 Y CB -0.951 37.583 38.460 0.123 0.000 1.064 358 Y HN 0.186 nan 8.280 nan 0.000 0.499 359 K N -1.495 118.960 120.400 0.092 0.000 2.521 359 K HA 0.264 4.584 4.320 0.000 0.000 0.213 359 K C 1.274 177.855 176.600 -0.030 0.000 1.223 359 K CA 0.736 57.043 56.287 0.033 0.000 1.013 359 K CB 0.654 33.185 32.500 0.053 0.000 1.017 359 K HN 0.273 nan 8.250 nan 0.000 0.591 360 G N 1.519 110.259 108.800 -0.101 0.000 2.259 360 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 360 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 360 G C 0.040 174.883 174.900 -0.094 0.000 1.001 360 G CA -0.000 45.017 45.100 -0.138 0.000 0.627 360 G HN 0.152 nan 8.290 nan 0.000 0.501 361 I N 2.990 123.545 120.570 -0.025 0.000 2.705 361 I HA 0.249 4.419 4.170 0.000 0.000 0.291 361 I C 0.896 177.033 176.117 0.033 0.000 1.146 361 I CA 0.862 62.173 61.300 0.018 0.000 1.383 361 I CB -0.007 38.027 38.000 0.056 0.000 1.454 361 I HN 0.147 nan 8.210 nan 0.000 0.581 362 R N 7.430 127.936 120.500 0.009 0.000 2.532 362 R HA 0.461 4.801 4.340 0.000 0.000 0.297 362 R C -2.582 173.743 176.300 0.041 0.000 0.984 362 R CA -1.890 54.237 56.100 0.044 0.000 0.884 362 R CB 1.488 31.772 30.300 -0.027 0.000 1.182 362 R HN 0.176 nan 8.270 nan 0.000 0.442 363 P HA 0.011 nan 4.420 nan 0.000 0.269 363 P C -0.263 177.118 177.300 0.136 0.000 1.209 363 P CA -0.188 62.979 63.100 0.111 0.000 0.776 363 P CB 0.767 32.516 31.700 0.081 0.000 0.876 364 A N 3.955 126.900 122.820 0.209 0.000 2.810 364 A HA 0.169 4.489 4.320 0.000 0.000 0.247 364 A C 0.652 178.324 177.584 0.147 0.000 1.576 364 A CA -0.249 51.915 52.037 0.210 0.000 1.294 364 A CB -1.561 17.640 19.000 0.336 0.000 0.976 364 A HN 0.470 nan 8.150 nan 0.000 0.631 365 I N 1.061 121.702 120.570 0.118 0.000 2.416 365 I HA 0.046 4.216 4.170 0.000 0.000 0.288 365 I C 0.537 176.718 176.117 0.106 0.000 1.051 365 I CA -0.451 60.916 61.300 0.111 0.000 1.375 365 I CB 0.778 38.834 38.000 0.094 0.000 1.407 365 I HN 0.340 nan 8.210 nan 0.000 0.516 366 N N 6.774 125.546 118.700 0.120 0.000 2.508 366 N HA 0.050 4.790 4.740 0.000 0.000 0.253 366 N C 0.667 176.228 175.510 0.085 0.000 1.145 366 N CA 0.053 53.152 53.050 0.082 0.000 0.973 366 N CB 1.203 39.720 38.487 0.050 0.000 1.305 366 N HN 0.437 nan 8.380 nan 0.000 0.506 367 V N 3.179 123.136 119.914 0.070 0.000 2.867 367 V HA -0.117 4.003 4.120 0.000 0.000 0.260 367 V C 2.169 178.293 176.094 0.051 0.000 1.099 367 V CA 2.010 64.352 62.300 0.070 0.000 1.122 367 V CB -0.669 31.195 31.823 0.068 0.000 0.708 367 V HN 0.732 nan 8.190 nan 0.000 0.490 368 G N -0.389 108.422 108.800 0.019 0.000 2.394 368 G HA2 -0.109 3.851 3.960 0.000 0.000 0.214 368 G HA3 -0.109 3.851 3.960 0.000 0.000 0.214 368 G C 1.498 176.384 174.900 -0.022 0.000 1.176 368 G CA 0.617 45.711 45.100 -0.009 0.000 0.786 368 G HN 0.458 nan 8.290 nan 0.000 0.533 369 L N 0.789 121.975 121.223 -0.062 0.000 2.084 369 L HA 0.110 4.450 4.340 0.000 0.000 0.202 369 L C 1.523 178.485 176.870 0.152 0.000 1.074 369 L CA 0.033 54.791 54.840 -0.136 0.000 0.757 369 L CB -0.806 40.859 42.059 -0.656 0.000 0.918 369 L HN 0.017 nan 8.230 nan 0.000 0.444 370 S N 0.366 116.265 115.700 0.332 0.000 2.643 370 S HA 0.142 4.612 4.470 0.000 0.000 0.310 370 S C -0.156 174.558 174.600 0.189 0.000 1.253 370 S CA -0.087 58.315 58.200 0.337 0.000 1.047 370 S CB 0.390 63.718 63.200 0.213 0.000 0.767 370 S HN 0.128 nan 8.310 nan 0.000 0.498 371 V N 1.011 121.015 119.914 0.150 0.000 3.147 371 V HA 0.841 4.961 4.120 0.000 0.000 0.306 371 V C -0.217 175.911 176.094 0.057 0.000 1.209 371 V CA -0.873 61.484 62.300 0.095 0.000 1.023 371 V CB 2.313 34.194 31.823 0.097 0.000 1.059 371 V HN 0.756 nan 8.190 nan 0.000 0.435 372 S N 0.518 116.244 115.700 0.043 0.000 2.769 372 S HA 0.279 4.749 4.470 0.000 0.000 0.150 372 S C 0.696 175.311 174.600 0.024 0.000 1.034 372 S CA -0.593 57.623 58.200 0.027 0.000 1.096 372 S CB 0.299 63.510 63.200 0.019 0.000 1.567 372 S HN 0.733 nan 8.310 nan 0.000 0.435 373 R N 1.049 121.564 120.500 0.026 0.000 2.062 373 R HA -0.049 4.291 4.340 0.000 0.000 0.231 373 R C 2.374 178.684 176.300 0.016 0.000 1.136 373 R CA 1.887 58.000 56.100 0.023 0.000 0.948 373 R CB -1.521 28.794 30.300 0.025 0.000 0.845 373 R HN 0.673 nan 8.270 nan 0.000 0.430 374 V N -1.513 118.409 119.914 0.014 0.000 2.759 374 V HA 0.065 4.185 4.120 0.000 0.000 0.256 374 V C 2.026 178.122 176.094 0.004 0.000 1.080 374 V CA 1.954 64.259 62.300 0.009 0.000 1.101 374 V CB -1.058 30.770 31.823 0.008 0.000 0.698 374 V HN 0.266 nan 8.190 nan 0.000 0.477 375 G N -0.069 108.734 108.800 0.004 0.000 2.426 375 G HA2 -0.111 3.849 3.960 0.000 0.000 0.214 375 G HA3 -0.111 3.849 3.960 0.000 0.000 0.214 375 G C 1.643 176.543 174.900 0.001 0.000 1.156 375 G CA 0.851 45.950 45.100 -0.002 0.000 0.802 375 G HN 0.526 nan 8.290 nan 0.000 0.534 376 S N 1.163 116.868 115.700 0.008 0.000 2.383 376 S HA -0.055 4.415 4.470 0.000 0.000 0.229 376 S C 2.680 177.284 174.600 0.007 0.000 1.030 376 S CA 1.170 59.376 58.200 0.011 0.000 1.002 376 S CB -0.274 62.936 63.200 0.017 0.000 0.829 376 S HN 0.541 nan 8.310 nan 0.000 0.467 377 A N 0.570 123.394 122.820 0.006 0.000 2.119 377 A HA 0.382 4.702 4.320 0.000 0.000 0.217 377 A C 1.648 179.230 177.584 -0.003 0.000 1.153 377 A CA 1.145 53.184 52.037 0.004 0.000 0.692 377 A CB -0.335 18.668 19.000 0.005 0.000 0.799 377 A HN 0.457 nan 8.150 nan 0.000 0.458 378 A N -0.658 122.157 122.820 -0.008 0.000 2.842 378 A HA 0.435 4.755 4.320 0.000 0.000 0.298 378 A C 0.350 177.920 177.584 -0.023 0.000 1.293 378 A CA -0.256 51.769 52.037 -0.020 0.000 0.959 378 A CB -0.249 18.735 19.000 -0.027 0.000 1.119 378 A HN 0.520 nan 8.150 nan 0.000 0.564 379 Q N 0.211 120.003 119.800 -0.013 0.000 2.274 379 Q HA 0.374 4.714 4.340 0.000 0.000 0.260 379 Q C -0.596 175.400 176.000 -0.008 0.000 0.974 379 Q CA -0.427 55.370 55.803 -0.009 0.000 0.876 379 Q CB 1.202 29.941 28.738 0.002 0.000 1.297 379 Q HN 0.307 nan 8.270 nan 0.000 0.446 380 T N 2.639 117.188 114.554 -0.008 0.000 2.946 380 T HA -0.073 4.277 4.350 0.000 0.000 0.312 380 T C 1.067 175.769 174.700 0.005 0.000 1.066 380 T CA 0.226 62.323 62.100 -0.005 0.000 1.138 380 T CB 0.508 69.376 68.868 -0.001 0.000 1.014 380 T HN 0.604 nan 8.240 nan 0.000 0.544 381 R N 3.361 123.863 120.500 0.004 0.000 2.081 381 R HA -0.049 4.291 4.340 0.000 0.000 0.235 381 R C 2.405 178.716 176.300 0.019 0.000 1.131 381 R CA 2.078 58.184 56.100 0.011 0.000 0.960 381 R CB -1.010 29.295 30.300 0.008 0.000 0.856 381 R HN 0.725 nan 8.270 nan 0.000 0.436 382 A N 0.398 123.228 122.820 0.016 0.000 1.892 382 A HA -0.234 4.086 4.320 0.000 0.000 0.218 382 A C 2.172 179.778 177.584 0.036 0.000 1.188 382 A CA 2.088 54.139 52.037 0.023 0.000 0.631 382 A CB -0.673 18.334 19.000 0.011 0.000 0.822 382 A HN 0.484 nan 8.150 nan 0.000 0.447 383 M N -0.680 118.939 119.600 0.031 0.000 2.175 383 M HA -0.030 4.450 4.480 0.000 0.000 0.264 383 M C 1.808 178.132 176.300 0.040 0.000 1.063 383 M CA 1.995 57.318 55.300 0.039 0.000 1.119 383 M CB -0.496 32.123 32.600 0.031 0.000 1.377 383 M HN 0.290 nan 8.290 nan 0.000 0.415 384 K N -0.161 120.258 120.400 0.032 0.000 2.103 384 K HA -0.171 4.149 4.320 0.000 0.000 0.207 384 K C 1.955 178.578 176.600 0.038 0.000 1.048 384 K CA 1.825 58.130 56.287 0.031 0.000 0.930 384 K CB -0.159 32.355 32.500 0.023 0.000 0.716 384 K HN 0.573 nan 8.250 nan 0.000 0.444 385 Q N -0.782 119.045 119.800 0.046 0.000 2.224 385 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 385 Q C 1.799 177.841 176.000 0.070 0.000 0.970 385 Q CA 1.486 57.323 55.803 0.057 0.000 0.865 385 Q CB 0.259 29.037 28.738 0.066 0.000 0.922 385 Q HN 0.368 nan 8.270 nan 0.000 0.445 386 V N -5.127 114.832 119.914 0.075 0.000 3.307 386 V HA 0.349 4.469 4.120 0.000 0.000 0.244 386 V C 1.824 177.949 176.094 0.052 0.000 1.196 386 V CA 0.634 62.980 62.300 0.076 0.000 1.132 386 V CB -0.149 31.746 31.823 0.120 0.000 0.875 386 V HN 0.117 nan 8.190 nan 0.000 0.468 387 A N 1.509 124.359 122.820 0.049 0.000 2.067 387 A HA 0.261 4.581 4.320 0.000 0.000 0.217 387 A C 2.186 179.792 177.584 0.036 0.000 1.156 387 A CA 1.457 53.519 52.037 0.042 0.000 0.683 387 A CB -1.090 17.935 19.000 0.041 0.000 0.808 387 A HN 0.665 nan 8.150 nan 0.000 0.455 388 G N 0.339 109.160 108.800 0.034 0.000 2.453 388 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 388 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 388 G C 1.774 176.690 174.900 0.026 0.000 1.201 388 G CA 2.119 47.237 45.100 0.029 0.000 0.784 388 G HN 0.620 nan 8.290 nan 0.000 0.545 389 T N -0.865 113.702 114.554 0.023 0.000 2.788 389 T HA -0.129 4.221 4.350 0.000 0.000 0.268 389 T C 2.332 177.042 174.700 0.016 0.000 1.044 389 T CA 1.609 63.718 62.100 0.015 0.000 1.139 389 T CB -0.270 68.601 68.868 0.005 0.000 0.867 389 T HN 0.253 nan 8.240 nan 0.000 0.454 390 M N 0.630 120.242 119.600 0.020 0.000 2.117 390 M HA -0.089 4.391 4.480 0.000 0.000 0.262 390 M C 2.328 178.648 176.300 0.033 0.000 1.065 390 M CA 1.900 57.213 55.300 0.022 0.000 1.114 390 M CB -0.178 32.438 32.600 0.026 0.000 1.361 390 M HN 0.167 nan 8.290 nan 0.000 0.408 391 K N 0.796 121.217 120.400 0.036 0.000 2.009 391 K HA -0.132 4.188 4.320 0.000 0.000 0.210 391 K C 1.787 178.413 176.600 0.043 0.000 1.049 391 K CA 1.701 58.013 56.287 0.042 0.000 0.929 391 K CB -0.757 31.766 32.500 0.038 0.000 0.714 391 K HN 0.343 nan 8.250 nan 0.000 0.440 392 L N 1.052 122.297 121.223 0.035 0.000 1.990 392 L HA -0.221 4.119 4.340 0.000 0.000 0.213 392 L C 2.302 179.198 176.870 0.043 0.000 1.072 392 L CA 2.125 56.986 54.840 0.034 0.000 0.755 392 L CB -1.161 40.913 42.059 0.026 0.000 0.889 392 L HN 0.425 nan 8.230 nan 0.000 0.432 393 E N -0.469 119.754 120.200 0.039 0.000 2.051 393 E HA -0.249 4.101 4.350 0.000 0.000 0.192 393 E C 2.130 178.781 176.600 0.085 0.000 0.991 393 E CA 0.729 57.157 56.400 0.045 0.000 0.799 393 E CB -0.145 29.565 29.700 0.017 0.000 0.748 393 E HN 0.154 nan 8.360 nan 0.000 0.449 394 L N 0.766 122.040 121.223 0.084 0.000 2.191 394 L HA -0.140 4.200 4.340 0.000 0.000 0.212 394 L C 2.075 179.045 176.870 0.166 0.000 1.103 394 L CA 1.587 56.514 54.840 0.145 0.000 0.769 394 L CB -0.697 41.427 42.059 0.108 0.000 0.908 394 L HN 0.055 nan 8.230 nan 0.000 0.438 395 A N -1.358 121.522 122.820 0.100 0.000 1.854 395 A HA -0.227 4.093 4.320 0.000 0.000 0.214 395 A C 2.121 179.748 177.584 0.072 0.000 1.192 395 A CA 1.392 53.470 52.037 0.068 0.000 0.611 395 A CB -0.484 18.544 19.000 0.047 0.000 0.832 395 A HN 0.529 nan 8.150 nan 0.000 0.442 396 Q N -1.724 118.127 119.800 0.084 0.000 2.152 396 Q HA -0.266 4.074 4.340 0.000 0.000 0.206 396 Q C 1.985 178.062 176.000 0.129 0.000 0.985 396 Q CA 2.069 57.924 55.803 0.087 0.000 0.863 396 Q CB -0.479 28.307 28.738 0.079 0.000 0.904 396 Q HN 0.840 nan 8.270 nan 0.000 0.422 397 Y N 1.183 121.498 120.300 0.025 0.000 2.181 397 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 397 Y C 2.139 178.055 175.900 0.027 0.000 1.146 397 Y CA 1.538 59.655 58.100 0.029 0.000 1.164 397 Y CB -0.156 38.315 38.460 0.020 0.000 0.982 397 Y HN -0.128 nan 8.280 nan 0.000 0.515 398 R N 0.758 121.178 120.500 -0.133 0.000 2.285 398 R HA -0.121 4.219 4.340 0.000 0.000 0.213 398 R C 0.535 176.751 176.300 -0.141 0.000 1.068 398 R CA 0.729 56.692 56.100 -0.230 0.000 1.004 398 R CB -0.260 29.986 30.300 -0.090 0.000 0.873 398 R HN 0.202 nan 8.270 nan 0.000 0.467 399 E N 0.554 120.719 120.200 -0.057 0.000 2.860 399 E HA 0.025 4.375 4.350 0.000 0.000 0.318 399 E C -0.965 175.643 176.600 0.013 0.000 1.481 399 E CA 0.206 56.601 56.400 -0.008 0.000 1.613 399 E CB -0.289 29.430 29.700 0.031 0.000 1.279 399 E HN 0.118 nan 8.360 nan 0.000 0.489 400 V N -0.076 119.807 119.914 -0.051 0.000 4.139 400 V HA -0.220 3.900 4.120 0.000 0.000 0.423 400 V C 0.362 176.445 176.094 -0.019 0.000 0.673 400 V CA 0.710 62.976 62.300 -0.056 0.000 1.778 400 V CB -2.226 29.662 31.823 0.108 0.000 2.178 400 V HN 0.440 nan 8.190 nan 0.000 0.486 401 A N 1.913 124.610 122.820 -0.205 0.000 2.610 401 A HA 0.814 5.134 4.320 0.000 0.000 0.291 401 A C 1.522 178.960 177.584 -0.243 0.000 1.116 401 A CA 0.787 52.742 52.037 -0.138 0.000 0.963 401 A CB 0.717 19.559 19.000 -0.263 0.000 1.220 401 A HN 2.118 nan 8.150 nan 0.000 0.530 402 A N -0.717 121.826 122.820 -0.462 0.000 2.209 402 A HA 0.243 4.563 4.320 0.000 0.000 0.212 402 A C 1.076 178.426 177.584 -0.391 0.000 1.158 402 A CA 0.708 52.491 52.037 -0.423 0.000 0.742 402 A CB -0.749 17.968 19.000 -0.471 0.000 0.790 402 A HN 0.457 nan 8.150 nan 0.000 0.472 403 F N -0.339 119.529 119.950 -0.137 0.000 2.811 403 F HA 0.242 4.769 4.527 0.000 0.000 0.301 403 F C 2.290 177.715 175.800 -0.624 0.000 1.151 403 F CA -0.303 57.562 58.000 -0.224 0.000 1.412 403 F CB -0.820 38.163 39.000 -0.029 0.000 1.113 403 F HN 0.270 nan 8.300 nan 0.000 0.579 404 A N 0.440 123.058 122.820 -0.336 0.000 1.997 404 A HA -0.344 3.976 4.320 0.000 0.000 0.237 404 A C 1.328 178.398 177.584 -0.857 0.000 1.807 404 A CA 1.653 53.404 52.037 -0.478 0.000 0.863 404 A CB -1.442 17.452 19.000 -0.176 0.000 0.821 404 A HN 0.489 nan 8.150 nan 0.000 0.500 405 Q N -0.115 119.429 119.800 -0.427 0.000 4.045 405 Q HA -0.011 4.329 4.340 0.000 0.000 0.383 405 Q C 0.063 175.908 176.000 -0.257 0.000 1.120 405 Q CA 0.934 56.579 55.803 -0.264 0.000 1.322 405 Q CB -0.894 27.766 28.738 -0.130 0.000 1.024 405 Q HN 1.042 nan 8.270 nan 0.000 0.463 406 F N -2.918 117.060 119.950 0.047 0.000 2.768 406 F HA 0.166 4.693 4.527 -0.000 0.000 0.445 406 F C 0.940 176.754 175.800 0.024 0.000 0.914 406 F CA 0.113 58.132 58.000 0.033 0.000 0.719 406 F CB -0.791 38.227 39.000 0.029 0.000 1.495 406 F HN 0.459 nan 8.300 nan 0.000 0.513 407 G N 2.518 111.642 108.800 0.540 0.000 2.692 407 G HA2 -0.443 3.517 3.960 0.000 0.000 0.339 407 G HA3 -0.443 3.517 3.960 0.000 0.000 0.339 407 G C 1.311 176.335 174.900 0.207 0.000 1.226 407 G CA 2.636 47.922 45.100 0.310 0.000 0.979 407 G HN 1.634 nan 8.290 nan 0.000 0.549 408 S N 0.836 116.595 115.700 0.098 0.000 2.711 408 S HA 0.086 4.556 4.470 0.000 0.000 0.237 408 S C 1.239 175.815 174.600 -0.039 0.000 0.971 408 S CA 1.773 59.985 58.200 0.020 0.000 0.964 408 S CB -0.047 63.163 63.200 0.017 0.000 0.775 408 S HN 0.533 nan 8.310 nan 0.000 0.540 409 D N 0.148 120.501 120.400 -0.078 0.000 2.338 409 D HA 0.220 4.860 4.640 0.000 0.000 0.208 409 D C 0.807 176.823 176.300 -0.474 0.000 0.997 409 D CA -0.075 53.805 54.000 -0.201 0.000 0.880 409 D CB -0.038 40.712 40.800 -0.082 0.000 0.980 409 D HN 0.368 nan 8.370 nan 0.000 0.509 410 L N 1.702 122.440 121.223 -0.807 0.000 2.425 410 L HA 0.046 4.386 4.340 0.000 0.000 0.225 410 L C 1.000 177.657 176.870 -0.356 0.000 1.222 410 L CA 0.346 54.682 54.840 -0.839 0.000 0.832 410 L CB 0.364 41.897 42.059 -0.877 0.000 1.238 410 L HN -0.120 nan 8.230 nan 0.000 0.533 411 D N -0.030 120.220 120.400 -0.250 0.000 1.962 411 D HA 0.053 4.693 4.640 0.000 0.000 0.273 411 D C 0.493 176.736 176.300 -0.095 0.000 1.105 411 D CA 0.758 54.673 54.000 -0.142 0.000 0.975 411 D CB -0.008 40.731 40.800 -0.102 0.000 1.186 411 D HN 0.623 nan 8.370 nan 0.000 0.468 412 A N -0.329 122.455 122.820 -0.060 0.000 2.042 412 A HA 0.407 4.727 4.320 0.000 0.000 0.207 412 A C 1.806 179.377 177.584 -0.021 0.000 1.598 412 A CA 0.956 52.970 52.037 -0.039 0.000 0.818 412 A CB -0.766 18.212 19.000 -0.036 0.000 1.169 412 A HN 0.395 nan 8.150 nan 0.000 0.548 413 A N 0.189 122.999 122.820 -0.016 0.000 2.168 413 A HA 0.074 4.394 4.320 0.000 0.000 0.215 413 A C 2.091 179.685 177.584 0.017 0.000 1.152 413 A CA 2.096 54.131 52.037 -0.003 0.000 0.716 413 A CB -1.013 17.985 19.000 -0.004 0.000 0.794 413 A HN 0.653 nan 8.150 nan 0.000 0.465 414 T N -2.510 112.055 114.554 0.018 0.000 3.014 414 T HA -0.053 4.297 4.350 0.000 0.000 0.263 414 T C 1.666 176.425 174.700 0.098 0.000 1.078 414 T CA 1.060 63.195 62.100 0.058 0.000 1.135 414 T CB -0.229 68.666 68.868 0.044 0.000 0.895 414 T HN 0.577 nan 8.240 nan 0.000 0.480 415 Q N 0.606 120.446 119.800 0.066 0.000 2.378 415 Q HA 0.065 4.405 4.340 0.000 0.000 0.205 415 Q C 2.340 178.380 176.000 0.067 0.000 0.954 415 Q CA 0.600 56.461 55.803 0.097 0.000 0.901 415 Q CB -0.096 28.678 28.738 0.060 0.000 0.981 415 Q HN 0.639 nan 8.270 nan 0.000 0.483 416 Q N 0.654 120.478 119.800 0.041 0.000 2.212 416 Q HA -0.060 4.280 4.340 0.000 0.000 0.199 416 Q C 1.820 177.833 176.000 0.022 0.000 0.950 416 Q CA 0.542 56.354 55.803 0.015 0.000 0.863 416 Q CB 0.242 28.980 28.738 0.000 0.000 0.944 416 Q HN 0.401 nan 8.270 nan 0.000 0.465 417 L N 0.121 121.382 121.223 0.063 0.000 2.109 417 L HA -0.135 4.205 4.340 0.000 0.000 0.207 417 L C 1.939 178.881 176.870 0.119 0.000 1.086 417 L CA 0.351 55.249 54.840 0.096 0.000 0.760 417 L CB -0.214 41.929 42.059 0.140 0.000 0.910 417 L HN 0.239 nan 8.230 nan 0.000 0.437 418 L N -0.705 120.610 121.223 0.153 0.000 2.291 418 L HA -0.087 4.253 4.340 0.000 0.000 0.214 418 L C 2.695 179.550 176.870 -0.025 0.000 1.120 418 L CA 1.198 56.130 54.840 0.152 0.000 0.799 418 L CB -0.719 41.467 42.059 0.212 0.000 0.925 418 L HN 0.178 nan 8.230 nan 0.000 0.446 419 S N -0.642 115.045 115.700 -0.020 0.000 2.336 419 S HA -0.154 4.316 4.470 0.000 0.000 0.214 419 S C 2.327 176.851 174.600 -0.127 0.000 1.032 419 S CA 0.802 58.965 58.200 -0.060 0.000 1.001 419 S CB -0.015 63.161 63.200 -0.040 0.000 0.953 419 S HN 0.240 nan 8.310 nan 0.000 0.430 420 R N 0.785 121.211 120.500 -0.123 0.000 2.082 420 R HA -0.057 4.283 4.340 0.000 0.000 0.234 420 R C 2.569 178.706 176.300 -0.272 0.000 1.136 420 R CA 1.610 57.619 56.100 -0.152 0.000 0.935 420 R CB -1.832 28.407 30.300 -0.101 0.000 0.842 420 R HN 0.606 nan 8.270 nan 0.000 0.430 421 G N 0.999 109.534 108.800 -0.442 0.000 2.649 421 G HA2 -0.312 3.648 3.960 0.000 0.000 0.220 421 G HA3 -0.312 3.648 3.960 0.000 0.000 0.220 421 G C 1.519 175.804 174.900 -1.026 0.000 1.189 421 G CA 2.226 46.658 45.100 -1.112 0.000 0.777 421 G HN 0.368 nan 8.290 nan 0.000 0.602 422 V N -1.243 118.245 119.914 -0.710 0.000 2.515 422 V HA -0.037 4.083 4.120 0.000 0.000 0.250 422 V C 2.678 178.654 176.094 -0.197 0.000 1.058 422 V CA 1.952 64.054 62.300 -0.329 0.000 1.064 422 V CB -0.502 31.233 31.823 -0.146 0.000 0.675 422 V HN 0.265 nan 8.190 nan 0.000 0.461 423 R N 0.614 120.997 120.500 -0.194 0.000 2.061 423 R HA 0.092 4.432 4.340 0.000 0.000 0.230 423 R C 2.447 178.684 176.300 -0.106 0.000 1.140 423 R CA 1.766 57.789 56.100 -0.128 0.000 0.940 423 R CB -1.002 29.220 30.300 -0.130 0.000 0.839 423 R HN 0.486 nan 8.270 nan 0.000 0.429 424 L N 0.580 121.726 121.223 -0.129 0.000 2.042 424 L HA -0.182 4.158 4.340 0.000 0.000 0.210 424 L C 2.538 179.380 176.870 -0.048 0.000 1.076 424 L CA 1.559 56.352 54.840 -0.077 0.000 0.749 424 L CB -0.826 41.188 42.059 -0.075 0.000 0.893 424 L HN 0.219 nan 8.230 nan 0.000 0.432 425 T N -0.956 113.551 114.554 -0.078 0.000 2.720 425 T HA -0.178 4.172 4.350 0.000 0.000 0.268 425 T C 1.794 176.494 174.700 0.001 0.000 1.037 425 T CA 1.246 63.340 62.100 -0.010 0.000 1.144 425 T CB -0.137 68.740 68.868 0.015 0.000 0.864 425 T HN 0.285 nan 8.240 nan 0.000 0.444 426 E N 0.842 121.032 120.200 -0.017 0.000 2.204 426 E HA 0.033 4.383 4.350 0.000 0.000 0.194 426 E C 2.224 178.835 176.600 0.017 0.000 0.989 426 E CA 0.497 56.899 56.400 0.002 0.000 0.824 426 E CB -0.323 29.375 29.700 -0.003 0.000 0.756 426 E HN 0.474 nan 8.360 nan 0.000 0.477 427 L N 0.218 121.449 121.223 0.014 0.000 2.141 427 L HA -0.082 4.258 4.340 0.000 0.000 0.209 427 L C 2.190 179.082 176.870 0.037 0.000 1.094 427 L CA 0.571 55.432 54.840 0.034 0.000 0.763 427 L CB -0.184 41.895 42.059 0.033 0.000 0.908 427 L HN 0.106 nan 8.230 nan 0.000 0.437 428 L N -0.507 120.735 121.223 0.032 0.000 2.610 428 L HA -0.035 4.305 4.340 0.000 0.000 0.232 428 L C 0.754 177.645 176.870 0.036 0.000 1.149 428 L CA 0.318 55.181 54.840 0.038 0.000 0.872 428 L CB -0.411 41.674 42.059 0.044 0.000 0.992 428 L HN 0.162 nan 8.230 nan 0.000 0.447 429 K N 1.140 121.558 120.400 0.030 0.000 2.237 429 K HA 0.294 4.614 4.320 0.000 0.000 0.270 429 K C -0.191 176.421 176.600 0.020 0.000 1.015 429 K CA 0.037 56.338 56.287 0.023 0.000 0.949 429 K CB 1.042 33.552 32.500 0.016 0.000 0.976 429 K HN -0.016 nan 8.250 nan 0.000 0.472 430 Q N 0.316 120.122 119.800 0.010 0.000 2.391 430 Q HA 0.353 4.693 4.340 0.000 0.000 0.279 430 Q C -0.886 175.103 176.000 -0.019 0.000 1.028 430 Q CA -0.637 55.166 55.803 0.001 0.000 0.836 430 Q CB 1.927 30.667 28.738 0.004 0.000 1.414 430 Q HN 0.799 nan 8.270 nan 0.000 0.397 431 G N 1.242 110.026 108.800 -0.027 0.000 2.563 431 G HA2 0.310 4.270 3.960 0.000 0.000 0.283 431 G HA3 0.310 4.270 3.960 0.000 0.000 0.283 431 G C -0.727 174.107 174.900 -0.110 0.000 1.309 431 G CA -0.261 44.805 45.100 -0.056 0.000 1.022 431 G HN 0.576 nan 8.290 nan 0.000 0.501 432 Q N -1.351 118.319 119.800 -0.217 0.000 2.227 432 Q HA 0.353 4.693 4.340 0.000 0.000 0.245 432 Q C -0.845 174.917 176.000 -0.396 0.000 0.926 432 Q CA -0.524 54.990 55.803 -0.482 0.000 0.895 432 Q CB 1.127 29.300 28.738 -0.942 0.000 1.230 432 Q HN 0.519 nan 8.270 nan 0.000 0.450 433 Y N -1.325 118.973 120.300 -0.003 0.000 4.272 433 Y HA -0.235 4.315 4.550 0.000 0.000 0.232 433 Y C -0.215 175.676 175.900 -0.015 0.000 1.149 433 Y CA 0.578 58.671 58.100 -0.013 0.000 1.961 433 Y CB -2.433 36.017 38.460 -0.017 0.000 1.611 433 Y HN 0.398 nan 8.280 nan 0.000 0.682 434 S N -0.461 115.277 115.700 0.063 0.000 2.539 434 S HA 0.308 4.778 4.470 0.000 0.000 0.185 434 S C -2.433 172.171 174.600 0.008 0.000 1.181 434 S CA -0.890 57.330 58.200 0.034 0.000 1.216 434 S CB 1.353 64.568 63.200 0.026 0.000 1.476 434 S HN 0.048 nan 8.310 nan 0.000 0.395 435 P HA 0.187 nan 4.420 nan 0.000 0.266 435 P C -0.579 176.709 177.300 -0.020 0.000 1.195 435 P CA 0.060 63.158 63.100 -0.002 0.000 0.768 435 P CB 0.425 32.127 31.700 0.003 0.000 0.838 436 M N 1.535 121.125 119.600 -0.016 0.000 2.404 436 M HA 0.499 4.979 4.480 0.000 0.000 0.338 436 M C 0.449 176.732 176.300 -0.029 0.000 1.150 436 M CA -0.909 54.376 55.300 -0.026 0.000 1.016 436 M CB 2.030 34.623 32.600 -0.012 0.000 1.672 436 M HN 0.326 nan 8.290 nan 0.000 0.448 437 A N 1.774 124.563 122.820 -0.052 0.000 2.520 437 A HA 0.104 4.424 4.320 0.000 0.000 0.235 437 A C 0.990 178.571 177.584 -0.005 0.000 1.065 437 A CA -0.244 51.766 52.037 -0.046 0.000 0.764 437 A CB 0.019 18.977 19.000 -0.070 0.000 1.002 437 A HN 0.961 nan 8.150 nan 0.000 0.502 438 I N 0.899 121.487 120.570 0.029 0.000 2.264 438 I HA -0.225 3.945 4.170 0.000 0.000 0.248 438 I C 2.514 178.640 176.117 0.014 0.000 1.111 438 I CA 2.309 63.629 61.300 0.033 0.000 1.382 438 I CB -0.289 37.741 38.000 0.049 0.000 1.060 438 I HN 0.856 nan 8.210 nan 0.000 0.418 439 E N 0.443 120.643 120.200 -0.001 0.000 2.153 439 E HA -0.278 4.072 4.350 0.000 0.000 0.194 439 E C 1.744 178.325 176.600 -0.031 0.000 0.988 439 E CA 1.711 58.100 56.400 -0.019 0.000 0.811 439 E CB -0.716 28.965 29.700 -0.033 0.000 0.746 439 E HN 0.654 nan 8.360 nan 0.000 0.466 440 E N 0.858 121.036 120.200 -0.037 0.000 2.107 440 E HA -0.115 4.235 4.350 0.000 0.000 0.191 440 E C 2.335 178.935 176.600 0.000 0.000 0.982 440 E CA 0.833 57.205 56.400 -0.047 0.000 0.809 440 E CB -0.053 29.608 29.700 -0.064 0.000 0.756 440 E HN 0.371 nan 8.360 nan 0.000 0.459 441 Q N 0.413 120.222 119.800 0.014 0.000 2.030 441 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 441 Q C 2.653 178.691 176.000 0.064 0.000 0.986 441 Q CA 2.046 57.872 55.803 0.039 0.000 0.843 441 Q CB -0.381 28.378 28.738 0.035 0.000 0.904 441 Q HN 0.352 nan 8.270 nan 0.000 0.420 442 V N -1.351 118.595 119.914 0.055 0.000 2.515 442 V HA -0.150 3.970 4.120 0.000 0.000 0.250 442 V C 2.128 178.294 176.094 0.121 0.000 1.058 442 V CA 1.728 64.077 62.300 0.082 0.000 1.064 442 V CB -1.015 30.844 31.823 0.060 0.000 0.675 442 V HN 0.303 nan 8.190 nan 0.000 0.461 443 A N 1.428 124.299 122.820 0.085 0.000 1.865 443 A HA -0.144 4.176 4.320 0.000 0.000 0.217 443 A C 2.517 180.303 177.584 0.338 0.000 1.191 443 A CA 3.249 55.377 52.037 0.151 0.000 0.623 443 A CB -1.200 17.828 19.000 0.047 0.000 0.826 443 A HN 1.298 nan 8.150 nan 0.000 0.444 444 V N -2.105 117.975 119.914 0.276 0.000 2.548 444 V HA -0.134 3.986 4.120 0.000 0.000 0.249 444 V C 2.215 178.418 176.094 0.182 0.000 1.055 444 V CA 1.875 64.344 62.300 0.281 0.000 1.065 444 V CB -0.859 31.092 31.823 0.214 0.000 0.681 444 V HN 0.462 nan 8.190 nan 0.000 0.462 445 I N -0.678 119.984 120.570 0.154 0.000 2.439 445 I HA -0.134 4.036 4.170 0.000 0.000 0.251 445 I C 2.524 178.718 176.117 0.129 0.000 1.139 445 I CA 1.960 63.328 61.300 0.113 0.000 1.438 445 I CB -0.438 37.618 38.000 0.093 0.000 1.085 445 I HN 0.402 nan 8.210 nan 0.000 0.427 446 Y N 1.866 122.191 120.300 0.042 0.000 2.224 446 Y HA -0.300 4.250 4.550 0.000 0.000 0.289 446 Y C 2.506 178.410 175.900 0.007 0.000 1.146 446 Y CA 1.412 59.528 58.100 0.027 0.000 1.182 446 Y CB -0.257 38.216 38.460 0.022 0.000 0.983 446 Y HN 0.123 nan 8.280 nan 0.000 0.524 447 A N 0.112 123.003 122.820 0.120 0.000 1.883 447 A HA -0.137 4.183 4.320 0.000 0.000 0.217 447 A C 2.454 180.027 177.584 -0.018 0.000 1.186 447 A CA 1.937 53.953 52.037 -0.035 0.000 0.624 447 A CB -1.672 17.257 19.000 -0.117 0.000 0.822 447 A HN 0.592 nan 8.150 nan 0.000 0.444 448 G N -1.497 107.290 108.800 -0.022 0.000 2.408 448 G HA2 0.018 3.978 3.960 0.000 0.000 0.215 448 G HA3 0.018 3.978 3.960 0.000 0.000 0.215 448 G C 1.478 176.342 174.900 -0.060 0.000 1.156 448 G CA 0.950 46.019 45.100 -0.051 0.000 0.793 448 G HN 0.371 nan 8.290 nan 0.000 0.535 449 V N 0.424 120.303 119.914 -0.058 0.000 2.970 449 V HA 0.079 4.199 4.120 0.000 0.000 0.260 449 V C 2.366 178.393 176.094 -0.112 0.000 1.100 449 V CA 0.998 63.255 62.300 -0.072 0.000 1.122 449 V CB -0.271 31.525 31.823 -0.045 0.000 0.721 449 V HN 0.178 nan 8.190 nan 0.000 0.483 450 R N -0.430 119.985 120.500 -0.142 0.000 2.334 450 R HA 0.300 4.640 4.340 0.000 0.000 0.216 450 R C 1.620 177.828 176.300 -0.154 0.000 0.905 450 R CA 0.796 56.813 56.100 -0.139 0.000 1.064 450 R CB 0.308 30.490 30.300 -0.196 0.000 1.046 450 R HN 0.555 nan 8.270 nan 0.000 0.508 451 G N 0.153 108.869 108.800 -0.140 0.000 2.238 451 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 451 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 451 G C 0.433 175.168 174.900 -0.276 0.000 0.996 451 G CA -0.123 44.837 45.100 -0.233 0.000 0.632 451 G HN 0.328 nan 8.290 nan 0.000 0.503 452 Y N 0.922 121.102 120.300 -0.200 0.000 2.751 452 Y HA 0.317 4.867 4.550 0.000 0.000 0.310 452 Y C 2.327 178.008 175.900 -0.366 0.000 1.176 452 Y CA 1.267 59.227 58.100 -0.232 0.000 1.360 452 Y CB -0.181 38.160 38.460 -0.200 0.000 0.999 452 Y HN 0.397 nan 8.280 nan 0.000 0.532 453 L N -1.884 119.202 121.223 -0.229 0.000 2.878 453 L HA 0.115 4.455 4.340 0.000 0.000 0.253 453 L C 1.189 177.933 176.870 -0.210 0.000 1.135 453 L CA -0.060 54.590 54.840 -0.317 0.000 0.943 453 L CB 0.157 42.039 42.059 -0.295 0.000 1.307 453 L HN -0.064 nan 8.230 nan 0.000 0.545 454 D N 1.497 121.794 120.400 -0.172 0.000 2.158 454 D HA -0.233 4.407 4.640 0.000 0.000 0.197 454 D C 1.875 178.110 176.300 -0.109 0.000 0.995 454 D CA 1.437 55.358 54.000 -0.132 0.000 0.846 454 D CB 0.109 40.832 40.800 -0.130 0.000 0.941 454 D HN 0.188 nan 8.370 nan 0.000 0.456 455 K N -0.356 119.976 120.400 -0.113 0.000 2.404 455 K HA 0.022 4.342 4.320 0.000 0.000 0.194 455 K C 0.071 176.635 176.600 -0.060 0.000 1.023 455 K CA -0.255 55.986 56.287 -0.077 0.000 1.094 455 K CB 0.211 32.669 32.500 -0.069 0.000 0.841 455 K HN -0.039 nan 8.250 nan 0.000 0.523 456 L N 1.582 122.753 121.223 -0.087 0.000 2.439 456 L HA 0.157 4.497 4.340 0.000 0.000 0.259 456 L C -0.273 176.583 176.870 -0.024 0.000 1.129 456 L CA 0.026 54.836 54.840 -0.050 0.000 0.803 456 L CB 1.168 43.160 42.059 -0.112 0.000 1.161 456 L HN -0.026 nan 8.230 nan 0.000 0.462 457 E N 2.552 122.762 120.200 0.016 0.000 2.152 457 E HA 0.191 4.541 4.350 0.000 0.000 0.285 457 E C -1.742 174.869 176.600 0.017 0.000 1.043 457 E CA -1.520 54.891 56.400 0.019 0.000 0.839 457 E CB 0.298 30.020 29.700 0.036 0.000 1.069 457 E HN 0.285 nan 8.360 nan 0.000 0.399 458 P HA -0.329 nan 4.420 nan 0.000 0.222 458 P C 0.874 178.184 177.300 0.017 0.000 1.157 458 P CA 1.811 64.909 63.100 -0.004 0.000 0.905 458 P CB 0.019 31.715 31.700 -0.007 0.000 0.792 459 S N -2.700 113.018 115.700 0.029 0.000 2.727 459 S HA 0.045 4.515 4.470 0.000 0.000 0.226 459 S C 1.307 175.951 174.600 0.073 0.000 0.963 459 S CA 0.453 58.678 58.200 0.042 0.000 0.950 459 S CB -0.574 62.647 63.200 0.036 0.000 0.779 459 S HN 0.098 nan 8.310 nan 0.000 0.532 460 K N 0.357 120.812 120.400 0.090 0.000 2.412 460 K HA 0.348 4.668 4.320 0.000 0.000 0.202 460 K C 1.269 177.972 176.600 0.172 0.000 1.102 460 K CA -0.122 56.264 56.287 0.164 0.000 1.027 460 K CB 0.032 32.658 32.500 0.210 0.000 0.931 460 K HN 0.328 nan 8.250 nan 0.000 0.557 461 I N 1.479 122.105 120.570 0.093 0.000 2.264 461 I HA -0.196 3.974 4.170 0.000 0.000 0.248 461 I C 1.807 178.007 176.117 0.138 0.000 1.111 461 I CA 1.549 62.898 61.300 0.082 0.000 1.382 461 I CB -1.404 36.607 38.000 0.018 0.000 1.060 461 I HN 0.032 nan 8.210 nan 0.000 0.418 462 T N 0.594 115.217 114.554 0.115 0.000 2.857 462 T HA -0.160 4.190 4.350 0.000 0.000 0.266 462 T C 1.976 176.757 174.700 0.135 0.000 1.048 462 T CA 1.232 63.396 62.100 0.107 0.000 1.139 462 T CB -0.047 68.866 68.868 0.075 0.000 0.874 462 T HN 0.312 nan 8.240 nan 0.000 0.455 463 K N 0.120 120.629 120.400 0.182 0.000 2.097 463 K HA -0.079 4.241 4.320 0.000 0.000 0.206 463 K C 2.017 178.760 176.600 0.238 0.000 1.049 463 K CA 1.025 57.460 56.287 0.246 0.000 0.933 463 K CB -0.269 32.431 32.500 0.334 0.000 0.717 463 K HN 0.302 nan 8.250 nan 0.000 0.442 464 F N 2.128 122.060 119.950 -0.029 0.000 2.051 464 F HA -0.173 4.354 4.527 0.000 0.000 0.296 464 F C 2.325 178.067 175.800 -0.096 0.000 1.122 464 F CA 2.043 59.807 58.000 -0.394 0.000 1.201 464 F CB -0.402 38.319 39.000 -0.465 0.000 0.978 464 F HN 0.152 nan 8.300 nan 0.000 0.472 465 E N 0.280 120.562 120.200 0.136 0.000 2.065 465 E HA -0.330 4.020 4.350 0.000 0.000 0.201 465 E C 1.961 178.569 176.600 0.014 0.000 1.016 465 E CA 2.151 58.618 56.400 0.112 0.000 0.818 465 E CB -0.494 29.293 29.700 0.145 0.000 0.749 465 E HN 0.634 nan 8.360 nan 0.000 0.453 466 N N -0.325 118.390 118.700 0.025 0.000 2.120 466 N HA -0.165 4.575 4.740 0.000 0.000 0.188 466 N C 1.832 177.332 175.510 -0.017 0.000 1.024 466 N CA 0.929 53.986 53.050 0.011 0.000 0.852 466 N CB -0.153 38.362 38.487 0.047 0.000 1.003 466 N HN 0.204 nan 8.380 nan 0.000 0.424 467 A N 0.712 123.538 122.820 0.010 0.000 1.897 467 A HA -0.115 4.205 4.320 0.000 0.000 0.215 467 A C 1.926 179.398 177.584 -0.186 0.000 1.181 467 A CA 0.801 52.887 52.037 0.082 0.000 0.620 467 A CB -0.752 18.459 19.000 0.353 0.000 0.821 467 A HN 0.367 nan 8.150 nan 0.000 0.443 468 F N 0.207 119.774 119.950 -0.639 0.000 2.134 468 F HA -0.125 4.402 4.527 0.000 0.000 0.299 468 F C 1.784 177.251 175.800 -0.556 0.000 1.097 468 F CA 1.567 58.955 58.000 -1.020 0.000 1.264 468 F CB -0.441 37.969 39.000 -0.983 0.000 1.001 468 F HN 0.176 nan 8.300 nan 0.000 0.479 469 L N 0.427 121.362 121.223 -0.480 0.000 2.056 469 L HA -0.161 4.179 4.340 0.000 0.000 0.207 469 L C 2.792 179.453 176.870 -0.348 0.000 1.078 469 L CA 2.187 56.763 54.840 -0.440 0.000 0.749 469 L CB -1.113 40.826 42.059 -0.200 0.000 0.901 469 L HN 0.355 nan 8.230 nan 0.000 0.433 470 S N -2.271 113.294 115.700 -0.227 0.000 2.423 470 S HA -0.249 4.221 4.470 0.000 0.000 0.231 470 S C 2.136 176.637 174.600 -0.166 0.000 1.014 470 S CA 1.037 59.147 58.200 -0.150 0.000 0.965 470 S CB -0.920 62.242 63.200 -0.062 0.000 0.785 470 S HN 0.658 nan 8.310 nan 0.000 0.495 471 H N 1.934 120.796 119.070 -0.346 0.000 2.363 471 H HA -0.037 4.519 4.556 0.000 0.000 0.301 471 H C 2.184 177.335 175.328 -0.294 0.000 1.074 471 H CA 2.047 57.905 56.048 -0.316 0.000 1.354 471 H CB -0.081 29.341 29.762 -0.566 0.000 1.397 471 H HN 0.454 nan 8.280 nan 0.000 0.516 472 V N -0.581 119.030 119.914 -0.506 0.000 2.488 472 V HA -0.118 4.002 4.120 0.000 0.000 0.246 472 V C 2.642 178.559 176.094 -0.294 0.000 1.046 472 V CA 0.840 62.900 62.300 -0.401 0.000 1.053 472 V CB -0.692 30.798 31.823 -0.555 0.000 0.679 472 V HN 0.178 nan 8.190 nan 0.000 0.458 473 I N 1.456 121.856 120.570 -0.283 0.000 2.163 473 I HA -0.210 3.960 4.170 0.000 0.000 0.243 473 I C 2.832 178.835 176.117 -0.191 0.000 1.085 473 I CA 2.422 63.601 61.300 -0.202 0.000 1.347 473 I CB -1.288 36.611 38.000 -0.169 0.000 1.044 473 I HN 0.544 nan 8.210 nan 0.000 0.408 474 S N -0.458 115.113 115.700 -0.216 0.000 2.425 474 S HA -0.080 4.390 4.470 0.000 0.000 0.225 474 S C 1.675 176.118 174.600 -0.262 0.000 1.024 474 S CA 0.829 58.910 58.200 -0.198 0.000 0.951 474 S CB 0.151 63.257 63.200 -0.156 0.000 0.796 474 S HN 0.426 nan 8.310 nan 0.000 0.498 475 Q N -0.506 119.047 119.800 -0.411 0.000 2.280 475 Q HA 0.237 4.577 4.340 0.000 0.000 0.228 475 Q C -0.116 175.414 176.000 -0.784 0.000 0.857 475 Q CA 0.418 55.865 55.803 -0.593 0.000 0.939 475 Q CB 0.275 28.544 28.738 -0.782 0.000 1.114 475 Q HN 0.703 nan 8.270 nan 0.000 0.514 476 H N -0.212 118.707 119.070 -0.252 0.000 2.562 476 H HA 0.245 4.801 4.556 0.000 0.000 0.249 476 H C 1.179 176.412 175.328 -0.158 0.000 1.195 476 H CA -0.172 55.764 56.048 -0.188 0.000 0.938 476 H CB 0.815 30.457 29.762 -0.199 0.000 1.891 476 H HN -0.060 nan 8.280 nan 0.000 0.595 477 Q N 0.931 120.676 119.800 -0.092 0.000 2.096 477 Q HA -0.219 4.121 4.340 0.000 0.000 0.208 477 Q C 2.383 178.351 176.000 -0.053 0.000 0.993 477 Q CA 1.674 57.428 55.803 -0.081 0.000 0.862 477 Q CB -0.141 28.543 28.738 -0.089 0.000 0.915 477 Q HN 0.646 nan 8.270 nan 0.000 0.416 478 A N 1.430 124.225 122.820 -0.042 0.000 1.873 478 A HA -0.204 4.116 4.320 0.000 0.000 0.218 478 A C 2.059 179.629 177.584 -0.023 0.000 1.193 478 A CA 1.608 53.628 52.037 -0.028 0.000 0.629 478 A CB -0.938 18.051 19.000 -0.019 0.000 0.826 478 A HN 0.432 nan 8.150 nan 0.000 0.447 479 L N -0.168 121.050 121.223 -0.008 0.000 2.012 479 L HA -0.159 4.181 4.340 0.000 0.000 0.210 479 L C 2.385 179.223 176.870 -0.055 0.000 1.073 479 L CA 2.158 56.979 54.840 -0.032 0.000 0.748 479 L CB -1.005 41.029 42.059 -0.043 0.000 0.891 479 L HN 0.484 nan 8.230 nan 0.000 0.431 480 L N -0.003 121.184 121.223 -0.059 0.000 2.042 480 L HA -0.178 4.162 4.340 0.000 0.000 0.210 480 L C 2.705 179.543 176.870 -0.053 0.000 1.076 480 L CA 1.330 56.127 54.840 -0.070 0.000 0.749 480 L CB -1.232 40.777 42.059 -0.084 0.000 0.893 480 L HN 0.415 nan 8.230 nan 0.000 0.432 481 G N 0.205 108.978 108.800 -0.045 0.000 2.446 481 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 481 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 481 G C 1.665 176.548 174.900 -0.029 0.000 1.168 481 G CA 0.815 45.894 45.100 -0.036 0.000 0.771 481 G HN 0.342 nan 8.290 nan 0.000 0.551 482 K N 0.004 120.386 120.400 -0.030 0.000 2.025 482 K HA 0.083 4.403 4.320 0.000 0.000 0.207 482 K C 2.422 179.006 176.600 -0.027 0.000 1.049 482 K CA 0.938 57.209 56.287 -0.026 0.000 0.933 482 K CB -0.261 32.223 32.500 -0.027 0.000 0.714 482 K HN 0.312 nan 8.250 nan 0.000 0.438 483 I N 1.001 121.549 120.570 -0.037 0.000 2.163 483 I HA -0.310 3.860 4.170 0.000 0.000 0.243 483 I C 2.763 178.868 176.117 -0.021 0.000 1.085 483 I CA 1.187 62.466 61.300 -0.035 0.000 1.347 483 I CB -0.254 37.716 38.000 -0.050 0.000 1.044 483 I HN 0.197 nan 8.210 nan 0.000 0.408 484 R N 0.697 121.185 120.500 -0.020 0.000 2.126 484 R HA -0.186 4.154 4.340 0.000 0.000 0.224 484 R C 2.326 178.624 176.300 -0.004 0.000 1.128 484 R CA 2.536 58.632 56.100 -0.006 0.000 0.895 484 R CB -0.791 29.506 30.300 -0.007 0.000 0.817 484 R HN 0.159 nan 8.270 nan 0.000 0.435 485 T N 1.135 115.685 114.554 -0.007 0.000 2.680 485 T HA -0.180 4.170 4.350 0.000 0.000 0.268 485 T C 1.155 175.851 174.700 -0.007 0.000 1.033 485 T CA 2.123 64.219 62.100 -0.006 0.000 1.152 485 T CB -0.373 68.490 68.868 -0.009 0.000 0.859 485 T HN 0.409 nan 8.240 nan 0.000 0.452 486 D N -0.412 119.983 120.400 -0.009 0.000 2.249 486 D HA 0.181 4.821 4.640 0.000 0.000 0.205 486 D C 1.666 177.962 176.300 -0.007 0.000 0.962 486 D CA 0.946 54.941 54.000 -0.008 0.000 0.860 486 D CB -0.459 40.335 40.800 -0.009 0.000 0.955 486 D HN 0.492 nan 8.370 nan 0.000 0.505 487 G N 1.062 109.858 108.800 -0.007 0.000 2.179 487 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 487 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 487 G C 0.361 175.260 174.900 -0.002 0.000 1.010 487 G CA 0.810 45.907 45.100 -0.005 0.000 0.736 487 G HN 0.467 nan 8.290 nan 0.000 0.513 488 K N -0.528 119.870 120.400 -0.003 0.000 2.551 488 K HA 0.565 4.885 4.320 0.000 0.000 0.269 488 K C -0.688 175.910 176.600 -0.004 0.000 0.949 488 K CA -1.283 55.005 56.287 0.001 0.000 0.849 488 K CB 0.972 33.474 32.500 0.003 0.000 1.411 488 K HN -0.058 nan 8.250 nan 0.000 0.432 489 I N 4.061 124.633 120.570 0.003 0.000 2.269 489 I HA 0.066 4.236 4.170 0.000 0.000 0.293 489 I C 0.711 176.830 176.117 0.004 0.000 1.106 489 I CA -0.081 61.215 61.300 -0.007 0.000 1.248 489 I CB -0.106 37.900 38.000 0.009 0.000 1.444 489 I HN 0.630 nan 8.210 nan 0.000 0.497 490 S N 4.324 120.020 115.700 -0.006 0.000 2.579 490 S HA 0.140 4.610 4.470 0.000 0.000 0.275 490 S C 1.052 175.657 174.600 0.009 0.000 1.345 490 S CA -0.383 57.818 58.200 0.002 0.000 1.031 490 S CB 1.295 64.493 63.200 -0.003 0.000 0.892 490 S HN 0.590 nan 8.310 nan 0.000 0.529 491 E N 0.418 120.629 120.200 0.018 0.000 2.209 491 E HA -0.184 4.166 4.350 0.000 0.000 0.196 491 E C 1.848 178.460 176.600 0.020 0.000 0.993 491 E CA 1.064 57.480 56.400 0.027 0.000 0.819 491 E CB -0.019 29.698 29.700 0.027 0.000 0.745 491 E HN 0.701 nan 8.360 nan 0.000 0.477 492 E N 0.499 120.704 120.200 0.009 0.000 2.015 492 E HA -0.122 4.228 4.350 0.000 0.000 0.191 492 E C 2.189 178.783 176.600 -0.011 0.000 0.991 492 E CA 0.880 57.282 56.400 0.003 0.000 0.802 492 E CB -0.058 29.642 29.700 0.000 0.000 0.759 492 E HN 0.034 nan 8.360 nan 0.000 0.447 493 S N 1.243 116.928 115.700 -0.025 0.000 2.400 493 S HA -0.166 4.304 4.470 0.000 0.000 0.232 493 S C 1.515 176.063 174.600 -0.088 0.000 1.025 493 S CA 1.201 59.366 58.200 -0.058 0.000 0.993 493 S CB -0.248 62.913 63.200 -0.064 0.000 0.808 493 S HN 0.310 nan 8.310 nan 0.000 0.478 494 D N 1.580 121.955 120.400 -0.042 0.000 2.077 494 D HA -0.051 4.589 4.640 0.000 0.000 0.196 494 D C 2.152 178.465 176.300 0.022 0.000 0.986 494 D CA 1.381 55.375 54.000 -0.010 0.000 0.829 494 D CB -0.335 40.517 40.800 0.087 0.000 0.983 494 D HN 0.315 nan 8.370 nan 0.000 0.453 495 A N 0.933 123.776 122.820 0.038 0.000 1.948 495 A HA -0.223 4.097 4.320 0.000 0.000 0.220 495 A C 2.196 179.793 177.584 0.023 0.000 1.177 495 A CA 2.121 54.188 52.037 0.050 0.000 0.636 495 A CB -0.602 18.422 19.000 0.041 0.000 0.815 495 A HN 0.324 nan 8.150 nan 0.000 0.449 496 K N -1.036 119.354 120.400 -0.017 0.000 2.103 496 K HA -0.063 4.257 4.320 0.000 0.000 0.204 496 K C 1.835 178.377 176.600 -0.097 0.000 1.052 496 K CA 1.208 57.469 56.287 -0.043 0.000 0.945 496 K CB -0.219 32.250 32.500 -0.051 0.000 0.722 496 K HN 0.320 nan 8.250 nan 0.000 0.443 497 L N 1.927 123.058 121.223 -0.153 0.000 2.093 497 L HA -0.089 4.251 4.340 0.000 0.000 0.208 497 L C 2.156 178.958 176.870 -0.113 0.000 1.085 497 L CA 1.700 56.384 54.840 -0.260 0.000 0.755 497 L CB -0.464 41.233 42.059 -0.603 0.000 0.904 497 L HN 0.106 nan 8.230 nan 0.000 0.435 498 K N -0.461 119.955 120.400 0.027 0.000 2.063 498 K HA -0.277 4.043 4.320 0.000 0.000 0.208 498 K C 2.111 178.754 176.600 0.070 0.000 1.048 498 K CA 1.992 58.359 56.287 0.133 0.000 0.928 498 K CB -0.084 32.532 32.500 0.194 0.000 0.713 498 K HN 0.511 nan 8.250 nan 0.000 0.442 499 E N 0.393 120.623 120.200 0.051 0.000 2.106 499 E HA -0.150 4.200 4.350 0.000 0.000 0.192 499 E C 1.998 178.638 176.600 0.066 0.000 0.984 499 E CA 0.897 57.337 56.400 0.066 0.000 0.806 499 E CB -0.009 29.724 29.700 0.055 0.000 0.750 499 E HN 0.324 nan 8.360 nan 0.000 0.458 500 I N 0.919 121.491 120.570 0.004 0.000 2.226 500 I HA -0.245 3.925 4.170 0.000 0.000 0.245 500 I C 2.548 178.775 176.117 0.184 0.000 1.100 500 I CA 1.179 62.499 61.300 0.035 0.000 1.374 500 I CB -0.290 37.582 38.000 -0.214 0.000 1.057 500 I HN 0.172 nan 8.210 nan 0.000 0.413 501 V N -2.462 117.495 119.914 0.073 0.000 2.379 501 V HA -0.171 3.949 4.120 0.000 0.000 0.245 501 V C 2.318 178.456 176.094 0.072 0.000 1.044 501 V CA 2.031 64.310 62.300 -0.036 0.000 1.036 501 V CB -1.473 30.052 31.823 -0.496 0.000 0.664 501 V HN 0.326 nan 8.190 nan 0.000 0.453 502 T N 1.423 116.033 114.554 0.094 0.000 2.652 502 T HA -0.217 4.133 4.350 0.000 0.000 0.267 502 T C 1.826 176.645 174.700 0.198 0.000 1.039 502 T CA 2.558 64.805 62.100 0.245 0.000 1.153 502 T CB -0.733 68.284 68.868 0.247 0.000 0.863 502 T HN 0.704 nan 8.240 nan 0.000 0.428 503 N N 0.066 118.871 118.700 0.175 0.000 2.084 503 N HA -0.065 4.675 4.740 0.000 0.000 0.190 503 N C 1.730 177.328 175.510 0.147 0.000 1.030 503 N CA 1.039 54.180 53.050 0.152 0.000 0.849 503 N CB -0.277 38.308 38.487 0.162 0.000 1.012 503 N HN 0.217 nan 8.380 nan 0.000 0.423 504 F N 2.452 122.435 119.950 0.054 0.000 2.102 504 F HA -0.125 4.402 4.527 0.000 0.000 0.298 504 F C 2.237 178.120 175.800 0.138 0.000 1.105 504 F CA 0.971 58.966 58.000 -0.008 0.000 1.239 504 F CB -0.386 38.566 39.000 -0.080 0.000 0.991 504 F HN 0.013 nan 8.300 nan 0.000 0.474 505 L N 0.461 121.885 121.223 0.335 0.000 2.081 505 L HA -0.197 4.143 4.340 0.000 0.000 0.212 505 L C 2.275 179.265 176.870 0.200 0.000 1.080 505 L CA 2.248 57.306 54.840 0.364 0.000 0.754 505 L CB -1.631 40.618 42.059 0.317 0.000 0.893 505 L HN 0.282 nan 8.230 nan 0.000 0.433 506 A N 0.002 122.895 122.820 0.122 0.000 1.877 506 A HA -0.109 4.211 4.320 0.000 0.000 0.216 506 A C 2.229 179.820 177.584 0.012 0.000 1.186 506 A CA 1.606 53.683 52.037 0.067 0.000 0.620 506 A CB -1.255 17.782 19.000 0.062 0.000 0.822 506 A HN 0.545 nan 8.150 nan 0.000 0.443 507 G N -2.144 106.617 108.800 -0.065 0.000 2.985 507 G HA2 0.239 4.199 3.960 0.000 0.000 0.209 507 G HA3 0.239 4.199 3.960 0.000 0.000 0.209 507 G C 0.260 175.052 174.900 -0.180 0.000 1.165 507 G CA -0.164 44.858 45.100 -0.130 0.000 0.776 507 G HN 0.365 nan 8.290 nan 0.000 0.541 508 F N 1.788 121.554 119.950 -0.306 0.000 2.471 508 F HA 0.434 4.961 4.527 0.000 0.000 0.365 508 F C 0.160 175.914 175.800 -0.077 0.000 1.095 508 F CA -1.250 56.601 58.000 -0.247 0.000 1.174 508 F CB 0.772 39.718 39.000 -0.091 0.000 1.105 508 F HN -0.053 nan 8.300 nan 0.000 0.535 509 E N 5.983 125.784 120.200 -0.666 0.000 1.924 509 E HA 0.405 4.755 4.350 0.000 0.000 0.261 509 E C 0.439 176.562 176.600 -0.795 0.000 1.088 509 E CA -0.291 55.794 56.400 -0.526 0.000 0.909 509 E CB 0.322 29.839 29.700 -0.306 0.000 1.112 509 E HN 0.793 nan 8.360 nan 0.000 0.425 510 A N 0.000 122.426 122.820 -0.657 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.838 52.037 -0.331 0.000 0.836 510 A CB 0.000 19.031 19.000 0.052 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486