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 2w8s_1_A DATA FIRST_RESID 3 DATA SEQUENCE RKNVLLIVVD QWRADFIPHL MRAEGREPFL KTPNLDRLCR EGLTFRNHVT DATA SEQUENCE TCVPCGPARA SLLTGLYLMN HRAVQNTVPL DQRHLNLGKA LRAIGYDPAL DATA SEQUENCE IGYTTTTPDP RTTSARDPRF TVLGDIMDGF RSVGAFEPNM EGYFGWVAQN DATA SEQUENCE GFELPENRED IWLPEGEHSV PGATDKPSRI PKEFSDSTFF TERALTYLKG DATA SEQUENCE RDGKPFFLHL GYYRPHPPFV ASAPYHAMYK AEDMPAPIRA ENPDAEAAQH DATA SEQUENCE PLMKHYIDHI RRGSFFHGAE GSGATLDEGE IRQMRATYCG LITEIDDCLG DATA SEQUENCE RVFAYLDETG QWDDTLIIFT SDHGEQLGDH HLLGKIGYNA ESFRIPLVIK DATA SEQUENCE DAGQNRHAGQ IEEGFSESID VMPTILEWLG GETPRACDGR SLLPFLAEGK DATA SEQUENCE PSDWRTELHY EFDFRDVFYD QPQNSVQLSQ DDCSLCVIED ENYKYVHFAA DATA SEQUENCE LPPLFFDLKA DPHEFSNLAG DPAYAALVRD YAQKALSWRL SHADRTLTHY DATA SEQUENCE RSSPQGLTTR NH 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.309 176.300 0.015 0.000 0.893 3 R CA 0.000 56.107 56.100 0.012 0.000 0.921 3 R CB 0.000 30.314 30.300 0.024 0.000 0.687 4 K N 2.519 122.949 120.400 0.050 0.000 2.413 4 K HA 0.520 4.840 4.320 0.000 0.000 0.257 4 K C -0.965 175.714 176.600 0.132 0.000 0.946 4 K CA -1.031 55.309 56.287 0.087 0.000 0.823 4 K CB 1.670 34.166 32.500 -0.007 0.000 1.109 4 K HN 0.669 nan 8.250 nan 0.000 0.427 5 N N 1.416 120.103 118.700 -0.020 0.000 2.430 5 N HA 0.448 5.188 4.740 0.000 0.000 0.298 5 N C -1.049 174.300 175.510 -0.268 0.000 1.130 5 N CA -0.580 52.204 53.050 -0.444 0.000 0.894 5 N CB 2.183 39.986 38.487 -1.140 0.000 1.209 5 N HN 0.086 nan 8.380 nan 0.000 0.503 6 V N 1.711 121.461 119.914 -0.274 0.000 2.588 6 V HA 0.420 4.540 4.120 0.000 0.000 0.304 6 V C -0.751 175.316 176.094 -0.043 0.000 1.042 6 V CA -0.781 61.439 62.300 -0.133 0.000 0.877 6 V CB 2.020 33.868 31.823 0.041 0.000 0.996 6 V HN 0.460 nan 8.190 nan 0.000 0.425 7 L N 6.002 127.185 121.223 -0.067 0.000 2.345 7 L HA 0.662 5.002 4.340 0.000 0.000 0.274 7 L C -1.072 175.715 176.870 -0.138 0.000 0.999 7 L CA -0.354 54.470 54.840 -0.026 0.000 0.849 7 L CB 1.428 43.567 42.059 0.132 0.000 1.220 7 L HN 0.639 nan 8.230 nan 0.000 0.422 8 L N 6.757 127.836 121.223 -0.240 0.000 2.262 8 L HA 0.567 4.907 4.340 0.000 0.000 0.288 8 L C -0.852 175.816 176.870 -0.337 0.000 1.035 8 L CA 0.083 54.776 54.840 -0.245 0.000 0.820 8 L CB 0.755 42.711 42.059 -0.172 0.000 1.204 8 L HN 0.516 nan 8.230 nan 0.000 0.424 9 I N 6.164 126.574 120.570 -0.267 0.000 2.307 9 I HA 0.287 4.457 4.170 0.000 0.000 0.289 9 I C -0.580 175.259 176.117 -0.464 0.000 1.021 9 I CA -0.577 60.565 61.300 -0.264 0.000 1.224 9 I CB 1.255 39.254 38.000 -0.002 0.000 1.376 9 I HN 0.237 nan 8.210 nan 0.000 0.470 10 V N 7.557 127.145 119.914 -0.543 0.000 2.294 10 V HA 0.237 4.357 4.120 0.000 0.000 0.272 10 V C 0.355 176.212 176.094 -0.395 0.000 1.027 10 V CA -0.763 61.222 62.300 -0.525 0.000 0.823 10 V CB 1.111 32.607 31.823 -0.545 0.000 1.030 10 V HN 0.531 nan 8.190 nan 0.000 0.457 11 V N 0.906 120.587 119.914 -0.389 0.000 2.953 11 V HA 0.554 4.674 4.120 0.000 0.000 0.304 11 V C -0.005 175.991 176.094 -0.163 0.000 1.073 11 V CA -0.530 61.667 62.300 -0.170 0.000 1.064 11 V CB 1.665 33.457 31.823 -0.052 0.000 1.047 11 V HN 0.714 nan 8.190 nan 0.000 0.478 12 D N 1.504 121.867 120.400 -0.061 0.000 2.193 12 D HA 0.291 4.931 4.640 0.000 0.000 0.244 12 D C 0.276 176.516 176.300 -0.100 0.000 1.064 12 D CA -0.075 53.867 54.000 -0.095 0.000 0.845 12 D CB 1.633 42.504 40.800 0.118 0.000 1.148 12 D HN 0.857 nan 8.370 nan 0.000 0.464 13 Q N 1.329 120.980 119.800 -0.248 0.000 2.493 13 Q HA -0.178 4.162 4.340 0.000 0.000 0.260 13 Q C -1.036 175.037 176.000 0.122 0.000 0.905 13 Q CA 0.469 56.266 55.803 -0.010 0.000 1.140 13 Q CB -0.711 28.075 28.738 0.081 0.000 1.435 13 Q HN 0.518 nan 8.270 nan 0.000 0.581 14 W N 1.966 123.187 121.300 -0.132 0.000 2.316 14 W HA 0.446 5.106 4.660 0.000 0.000 0.308 14 W C -0.236 176.278 176.519 -0.008 0.000 1.106 14 W CA -0.692 56.595 57.345 -0.097 0.000 1.262 14 W CB 0.334 29.713 29.460 -0.136 0.000 1.233 14 W HN 0.059 nan 8.180 nan 0.000 0.447 15 R N 4.025 124.774 120.500 0.415 0.000 2.543 15 R HA 0.258 4.598 4.340 0.000 0.000 0.277 15 R C 1.484 178.044 176.300 0.433 0.000 1.074 15 R CA 0.430 56.709 56.100 0.299 0.000 1.076 15 R CB 0.798 31.159 30.300 0.101 0.000 0.993 15 R HN 0.604 nan 8.270 nan 0.000 0.459 16 A N 2.611 125.599 122.820 0.281 0.000 1.958 16 A HA -0.233 4.087 4.320 0.000 0.000 0.221 16 A C 1.266 179.030 177.584 0.300 0.000 1.178 16 A CA 2.128 54.316 52.037 0.252 0.000 0.642 16 A CB -0.401 18.709 19.000 0.183 0.000 0.816 16 A HN 0.894 nan 8.150 nan 0.000 0.453 17 D N -2.432 118.182 120.400 0.356 0.000 2.342 17 D HA 0.123 4.763 4.640 0.000 0.000 0.221 17 D C -0.320 176.207 176.300 0.378 0.000 1.101 17 D CA -0.282 53.906 54.000 0.313 0.000 0.837 17 D CB -0.396 40.560 40.800 0.261 0.000 0.938 17 D HN 0.288 nan 8.370 nan 0.000 0.508 18 F N 1.421 121.495 119.950 0.207 0.000 2.732 18 F HA 0.336 4.864 4.527 0.000 0.000 0.312 18 F C -0.132 175.825 175.800 0.262 0.000 1.240 18 F CA -1.000 57.087 58.000 0.146 0.000 1.211 18 F CB 0.348 39.425 39.000 0.129 0.000 1.331 18 F HN -0.133 nan 8.300 nan 0.000 0.537 19 I N 2.050 122.771 120.570 0.252 0.000 2.439 19 I HA 0.255 4.425 4.170 0.000 0.000 0.283 19 I C -1.813 174.334 176.117 0.049 0.000 1.023 19 I CA -2.273 59.146 61.300 0.198 0.000 1.100 19 I CB 1.819 39.932 38.000 0.189 0.000 1.238 19 I HN -0.030 nan 8.210 nan 0.000 0.445 20 P HA -0.213 nan 4.420 nan 0.000 0.215 20 P C 1.604 178.912 177.300 0.014 0.000 1.163 20 P CA 1.644 64.713 63.100 -0.051 0.000 0.894 20 P CB 0.213 31.891 31.700 -0.037 0.000 0.791 21 H N -0.732 118.317 119.070 -0.035 0.000 2.362 21 H HA -0.166 4.390 4.556 0.000 0.000 0.294 21 H C 1.730 177.044 175.328 -0.023 0.000 1.113 21 H CA 1.655 57.686 56.048 -0.027 0.000 1.253 21 H CB -0.910 28.838 29.762 -0.024 0.000 1.363 21 H HN 0.034 nan 8.280 nan 0.000 0.494 22 L N -1.170 120.082 121.223 0.048 0.000 2.131 22 L HA -0.102 4.238 4.340 0.000 0.000 0.206 22 L C 2.558 179.406 176.870 -0.037 0.000 1.087 22 L CA 0.894 55.735 54.840 0.003 0.000 0.767 22 L CB -0.292 41.801 42.059 0.057 0.000 0.917 22 L HN 0.318 nan 8.230 nan 0.000 0.441 23 M N -0.674 118.898 119.600 -0.047 0.000 2.108 23 M HA -0.219 4.261 4.480 0.000 0.000 0.261 23 M C 2.477 178.735 176.300 -0.071 0.000 1.066 23 M CA 1.819 57.079 55.300 -0.066 0.000 1.107 23 M CB -0.397 32.131 32.600 -0.120 0.000 1.356 23 M HN 0.123 nan 8.290 nan 0.000 0.406 24 R N 0.011 120.455 120.500 -0.093 0.000 2.073 24 R HA -0.084 4.256 4.340 0.000 0.000 0.234 24 R C 2.342 178.573 176.300 -0.115 0.000 1.134 24 R CA 1.569 57.607 56.100 -0.103 0.000 0.952 24 R CB -0.541 29.683 30.300 -0.127 0.000 0.850 24 R HN 0.392 nan 8.270 nan 0.000 0.433 25 A N 1.069 123.796 122.820 -0.155 0.000 1.972 25 A HA -0.184 4.136 4.320 0.000 0.000 0.219 25 A C 2.154 179.694 177.584 -0.074 0.000 1.169 25 A CA 1.987 53.946 52.037 -0.132 0.000 0.635 25 A CB -0.618 18.290 19.000 -0.154 0.000 0.810 25 A HN 0.541 nan 8.150 nan 0.000 0.446 26 E N -1.542 118.624 120.200 -0.057 0.000 2.482 26 E HA 0.302 4.652 4.350 0.000 0.000 0.196 26 E C 1.617 178.200 176.600 -0.028 0.000 1.047 26 E CA 1.196 57.576 56.400 -0.032 0.000 0.869 26 E CB -1.138 28.552 29.700 -0.018 0.000 0.836 26 E HN 1.958 nan 8.360 nan 0.000 0.520 27 G N -0.154 108.624 108.800 -0.037 0.000 2.144 27 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 27 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 27 G C 0.474 175.360 174.900 -0.023 0.000 0.988 27 G CA 0.170 45.253 45.100 -0.028 0.000 0.659 27 G HN 0.558 nan 8.290 nan 0.000 0.522 28 R N -0.230 120.255 120.500 -0.025 0.000 2.674 28 R HA 0.632 4.972 4.340 0.000 0.000 0.266 28 R C -0.232 176.056 176.300 -0.020 0.000 1.016 28 R CA -0.845 55.246 56.100 -0.015 0.000 1.062 28 R CB 0.849 31.146 30.300 -0.006 0.000 1.142 28 R HN 0.160 nan 8.270 nan 0.000 0.517 29 E N 2.080 122.277 120.200 -0.005 0.000 2.130 29 E HA 0.199 4.549 4.350 0.000 0.000 0.284 29 E C -2.264 174.328 176.600 -0.014 0.000 1.018 29 E CA -2.217 54.180 56.400 -0.004 0.000 0.817 29 E CB 0.697 30.405 29.700 0.014 0.000 1.078 29 E HN 0.158 nan 8.360 nan 0.000 0.396 30 P HA -0.075 nan 4.420 nan 0.000 0.261 30 P C -0.315 176.924 177.300 -0.101 0.000 1.173 30 P CA 0.374 63.382 63.100 -0.154 0.000 0.760 30 P CB 0.085 31.709 31.700 -0.127 0.000 0.783 31 F N 2.887 122.757 119.950 -0.134 0.000 2.727 31 F HA 0.314 4.842 4.527 0.000 0.000 0.302 31 F C -0.115 175.548 175.800 -0.228 0.000 1.097 31 F CA -0.655 57.259 58.000 -0.145 0.000 1.330 31 F CB -0.490 38.400 39.000 -0.184 0.000 1.084 31 F HN -0.041 nan 8.300 nan 0.000 0.578 32 L N -1.204 119.737 121.223 -0.469 0.000 2.409 32 L HA 0.657 4.997 4.340 0.000 0.000 0.255 32 L C -1.055 175.749 176.870 -0.109 0.000 1.027 32 L CA -2.384 52.225 54.840 -0.385 0.000 0.834 32 L CB 1.313 42.971 42.059 -0.668 0.000 1.426 32 L HN -0.166 nan 8.230 nan 0.000 0.411 33 K N 0.009 120.477 120.400 0.113 0.000 2.274 33 K HA 0.747 5.067 4.320 0.000 0.000 0.262 33 K C -0.840 175.823 176.600 0.105 0.000 0.961 33 K CA -0.270 56.089 56.287 0.120 0.000 0.833 33 K CB 1.764 34.367 32.500 0.171 0.000 1.102 33 K HN 0.880 nan 8.250 nan 0.000 0.436 34 T N -0.223 114.369 114.554 0.062 0.000 3.583 34 T HA 0.206 4.557 4.350 0.000 0.000 0.266 34 T C -2.342 172.384 174.700 0.044 0.000 1.296 34 T CA -1.683 60.456 62.100 0.065 0.000 1.668 34 T CB 0.706 69.629 68.868 0.091 0.000 0.832 34 T HN 0.164 nan 8.240 nan 0.000 0.649 35 P HA -0.129 nan 4.420 nan 0.000 0.216 35 P C 1.500 178.829 177.300 0.047 0.000 1.153 35 P CA 1.184 64.307 63.100 0.038 0.000 0.858 35 P CB 0.139 31.860 31.700 0.035 0.000 0.789 36 N N -0.778 117.956 118.700 0.057 0.000 2.171 36 N HA -0.096 4.644 4.740 0.000 0.000 0.184 36 N C 1.673 177.287 175.510 0.173 0.000 1.021 36 N CA 0.748 53.883 53.050 0.142 0.000 0.854 36 N CB -0.910 37.614 38.487 0.062 0.000 0.994 36 N HN 0.073 nan 8.380 nan 0.000 0.426 37 L N 2.281 123.513 121.223 0.015 0.000 2.083 37 L HA -0.092 4.248 4.340 0.000 0.000 0.209 37 L C 1.396 178.205 176.870 -0.102 0.000 1.083 37 L CA 1.766 56.517 54.840 -0.149 0.000 0.752 37 L CB -0.819 41.039 42.059 -0.335 0.000 0.899 37 L HN -0.014 nan 8.230 nan 0.000 0.433 38 D N -0.555 119.826 120.400 -0.033 0.000 2.149 38 D HA -0.230 4.410 4.640 0.000 0.000 0.198 38 D C 2.237 178.523 176.300 -0.025 0.000 0.990 38 D CA 1.126 55.117 54.000 -0.015 0.000 0.839 38 D CB -0.065 40.754 40.800 0.032 0.000 0.948 38 D HN 0.387 nan 8.370 nan 0.000 0.460 39 R N 0.531 121.041 120.500 0.016 0.000 2.070 39 R HA -0.098 4.242 4.340 0.000 0.000 0.233 39 R C 2.553 178.861 176.300 0.012 0.000 1.137 39 R CA 0.831 56.944 56.100 0.022 0.000 0.945 39 R CB -0.486 29.839 30.300 0.040 0.000 0.845 39 R HN 0.145 nan 8.270 nan 0.000 0.430 40 L N 0.323 121.557 121.223 0.017 0.000 2.021 40 L HA -0.341 3.999 4.340 0.000 0.000 0.215 40 L C 2.762 179.554 176.870 -0.130 0.000 1.074 40 L CA 1.792 56.606 54.840 -0.044 0.000 0.760 40 L CB -0.467 41.540 42.059 -0.085 0.000 0.889 40 L HN 0.501 nan 8.230 nan 0.000 0.433 41 C N -1.008 118.151 119.300 -0.234 0.000 2.429 41 C HA -0.139 4.321 4.460 0.000 0.000 0.277 41 C C 2.850 177.582 174.990 -0.431 0.000 1.262 41 C CA 0.418 59.163 59.018 -0.455 0.000 1.733 41 C CB -1.099 26.135 27.740 -0.843 0.000 2.010 41 C HN 0.426 nan 8.230 nan 0.000 0.483 42 R N 0.826 121.177 120.500 -0.249 0.000 2.075 42 R HA -0.097 4.243 4.340 0.000 0.000 0.232 42 R C 1.925 178.209 176.300 -0.027 0.000 1.126 42 R CA 1.221 57.278 56.100 -0.071 0.000 0.963 42 R CB -0.271 30.030 30.300 0.002 0.000 0.858 42 R HN 0.687 nan 8.270 nan 0.000 0.435 43 E N -0.527 119.664 120.200 -0.015 0.000 2.478 43 E HA 0.065 4.415 4.350 0.000 0.000 0.194 43 E C 0.797 177.391 176.600 -0.010 0.000 1.045 43 E CA 0.198 56.613 56.400 0.025 0.000 0.868 43 E CB 0.649 30.417 29.700 0.112 0.000 0.885 43 E HN 0.269 nan 8.360 nan 0.000 0.505 44 G N 0.398 109.165 108.800 -0.055 0.000 3.176 44 G HA2 0.542 4.502 3.960 0.000 0.000 0.272 44 G HA3 0.542 4.502 3.960 0.000 0.000 0.272 44 G C -1.434 173.436 174.900 -0.050 0.000 1.349 44 G CA -0.712 44.354 45.100 -0.056 0.000 0.953 44 G HN 0.008 nan 8.290 nan 0.000 0.559 45 L N 0.953 122.156 121.223 -0.033 0.000 2.282 45 L HA 0.500 4.840 4.340 0.000 0.000 0.288 45 L C -0.332 176.518 176.870 -0.033 0.000 1.033 45 L CA -0.391 54.406 54.840 -0.072 0.000 0.807 45 L CB 1.706 43.695 42.059 -0.117 0.000 1.209 45 L HN 0.423 nan 8.230 nan 0.000 0.423 46 T N 4.754 119.262 114.554 -0.077 0.000 2.767 46 T HA 0.417 4.767 4.350 0.000 0.000 0.284 46 T C -0.479 174.206 174.700 -0.025 0.000 0.973 46 T CA -0.062 62.050 62.100 0.019 0.000 0.996 46 T CB 0.400 69.289 68.868 0.035 0.000 0.927 46 T HN 0.187 nan 8.240 nan 0.000 0.456 47 F N 3.103 122.982 119.950 -0.118 0.000 2.391 47 F HA 0.343 4.870 4.527 0.000 0.000 0.359 47 F C 1.688 177.475 175.800 -0.021 0.000 1.122 47 F CA -0.919 57.008 58.000 -0.121 0.000 1.120 47 F CB 1.181 40.058 39.000 -0.205 0.000 1.142 47 F HN 0.549 nan 8.300 nan 0.000 0.483 48 R N 1.062 121.636 120.500 0.124 0.000 2.254 48 R HA 0.132 4.472 4.340 0.000 0.000 0.195 48 R C -0.457 175.952 176.300 0.181 0.000 0.957 48 R CA 0.600 56.779 56.100 0.130 0.000 1.024 48 R CB 0.093 30.436 30.300 0.072 0.000 0.952 48 R HN 0.380 nan 8.270 nan 0.000 0.484 49 N N 1.280 120.122 118.700 0.236 0.000 2.990 49 N HA 0.075 4.815 4.740 0.000 0.000 0.288 49 N C -1.697 174.034 175.510 0.369 0.000 1.624 49 N CA -0.339 52.900 53.050 0.314 0.000 0.961 49 N CB 0.919 39.674 38.487 0.446 0.000 1.259 49 N HN 0.275 nan 8.380 nan 0.000 0.489 50 H N 0.164 119.339 119.070 0.176 0.000 2.495 50 H HA 0.576 5.132 4.556 0.000 0.000 0.348 50 H C -0.611 174.771 175.328 0.089 0.000 1.113 50 H CA -0.769 55.354 56.048 0.126 0.000 1.195 50 H CB 1.210 31.003 29.762 0.052 0.000 1.521 50 H HN 0.051 nan 8.280 nan 0.000 0.509 51 V N 2.127 121.844 119.914 -0.329 0.000 2.823 51 V HA 0.499 4.619 4.120 0.000 0.000 0.312 51 V C 0.130 176.046 176.094 -0.296 0.000 1.072 51 V CA -0.910 61.259 62.300 -0.217 0.000 0.937 51 V CB 1.562 33.321 31.823 -0.107 0.000 1.013 51 V HN 0.831 nan 8.190 nan 0.000 0.430 52 T N 1.839 116.338 114.554 -0.093 0.000 2.901 52 T HA 0.236 4.586 4.350 0.000 0.000 0.301 52 T C 1.371 176.193 174.700 0.203 0.000 1.012 52 T CA 0.629 62.748 62.100 0.032 0.000 1.135 52 T CB 0.721 69.636 68.868 0.079 0.000 0.936 52 T HN 1.369 nan 8.240 nan 0.000 0.539 53 T N 1.356 116.050 114.554 0.233 0.000 3.163 53 T HA 0.171 4.521 4.350 0.000 0.000 0.260 53 T C 0.953 175.945 174.700 0.486 0.000 1.156 53 T CA 0.213 62.548 62.100 0.391 0.000 1.072 53 T CB -1.371 67.712 68.868 0.358 0.000 0.937 53 T HN 0.903 nan 8.240 nan 0.000 0.528 54 C N -0.779 118.797 119.300 0.460 0.000 3.211 54 C HA 0.837 5.297 4.460 0.000 0.000 0.350 54 C C -0.873 174.288 174.990 0.286 0.000 1.413 54 C CA -0.844 58.481 59.018 0.511 0.000 1.203 54 C CB 1.465 29.463 27.740 0.430 0.000 1.506 54 C HN 0.749 nan 8.230 nan 0.000 0.448 55 V N -3.101 116.973 119.914 0.266 0.000 3.159 55 V HA 0.985 5.106 4.120 0.000 0.000 0.308 55 V C -2.765 173.485 176.094 0.260 0.000 1.190 55 V CA -1.319 61.028 62.300 0.078 0.000 1.037 55 V CB 1.537 33.178 31.823 -0.303 0.000 1.060 55 V HN 0.991 nan 8.190 nan 0.000 0.437 56 P HA 0.323 nan 4.420 nan 0.000 0.341 56 P C 0.994 178.350 177.300 0.092 0.000 1.368 56 P CA 0.482 63.552 63.100 -0.050 0.000 0.835 56 P CB 0.460 32.166 31.700 0.009 0.000 2.010 57 C N -1.094 118.313 119.300 0.178 0.000 2.429 57 C HA 0.001 4.462 4.460 0.000 0.000 0.277 57 C C 3.128 178.259 174.990 0.234 0.000 1.262 57 C CA 1.369 60.592 59.018 0.342 0.000 1.733 57 C CB -2.300 25.685 27.740 0.408 0.000 2.010 57 C HN 0.629 nan 8.230 nan 0.000 0.483 58 G N 1.791 110.697 108.800 0.177 0.000 2.402 58 G HA2 -0.077 3.883 3.960 0.000 0.000 0.216 58 G HA3 -0.077 3.883 3.960 0.000 0.000 0.216 58 G C -0.497 174.460 174.900 0.095 0.000 1.162 58 G CA 0.894 46.073 45.100 0.131 0.000 0.777 58 G HN 0.402 nan 8.290 nan 0.000 0.539 59 P HA -0.072 nan 4.420 nan 0.000 0.213 59 P C 2.334 179.743 177.300 0.182 0.000 1.170 59 P CA 2.139 65.358 63.100 0.199 0.000 0.898 59 P CB -0.213 31.649 31.700 0.270 0.000 0.787 60 A N -0.249 122.688 122.820 0.196 0.000 1.917 60 A HA -0.275 4.045 4.320 0.000 0.000 0.219 60 A C 2.251 179.897 177.584 0.104 0.000 1.182 60 A CA 2.043 54.188 52.037 0.179 0.000 0.633 60 A CB -1.180 17.951 19.000 0.218 0.000 0.819 60 A HN 0.102 nan 8.150 nan 0.000 0.448 61 R N -0.964 119.579 120.500 0.073 0.000 2.093 61 R HA 0.138 4.478 4.340 0.000 0.000 0.224 61 R C 2.542 178.822 176.300 -0.034 0.000 1.101 61 R CA 0.910 57.021 56.100 0.019 0.000 0.979 61 R CB -0.433 29.876 30.300 0.014 0.000 0.877 61 R HN 0.495 nan 8.270 nan 0.000 0.441 62 A N 0.812 123.559 122.820 -0.122 0.000 1.873 62 A HA -0.237 4.083 4.320 0.000 0.000 0.218 62 A C 2.196 179.646 177.584 -0.224 0.000 1.193 62 A CA 2.122 53.976 52.037 -0.305 0.000 0.629 62 A CB -0.815 17.729 19.000 -0.760 0.000 0.826 62 A HN 0.251 nan 8.150 nan 0.000 0.447 63 S N -0.708 114.936 115.700 -0.093 0.000 2.359 63 S HA -0.191 4.279 4.470 0.000 0.000 0.223 63 S C 1.909 176.542 174.600 0.056 0.000 1.039 63 S CA 1.631 59.913 58.200 0.136 0.000 1.042 63 S CB -0.547 62.794 63.200 0.235 0.000 0.915 63 S HN 0.509 nan 8.310 nan 0.000 0.439 64 L N 1.456 122.706 121.223 0.044 0.000 2.012 64 L HA -0.016 4.324 4.340 0.000 0.000 0.210 64 L C 1.717 178.615 176.870 0.046 0.000 1.073 64 L CA 1.818 56.680 54.840 0.037 0.000 0.748 64 L CB -0.459 41.615 42.059 0.026 0.000 0.891 64 L HN 0.310 nan 8.230 nan 0.000 0.431 65 L N -1.308 119.948 121.223 0.053 0.000 2.592 65 L HA 0.076 4.417 4.340 0.000 0.000 0.227 65 L C 1.493 178.413 176.870 0.083 0.000 1.127 65 L CA 0.818 55.722 54.840 0.107 0.000 0.884 65 L CB -0.583 41.565 42.059 0.148 0.000 1.065 65 L HN 0.495 nan 8.230 nan 0.000 0.457 66 T N -5.815 108.763 114.554 0.041 0.000 2.975 66 T HA 0.211 4.561 4.350 0.000 0.000 0.261 66 T C 1.427 176.134 174.700 0.012 0.000 0.984 66 T CA 0.484 62.602 62.100 0.030 0.000 0.911 66 T CB 0.859 69.737 68.868 0.018 0.000 1.127 66 T HN 0.246 nan 8.240 nan 0.000 0.514 67 G N 1.728 110.532 108.800 0.007 0.000 2.168 67 G HA2 -0.212 3.748 3.960 0.000 0.000 0.257 67 G HA3 -0.212 3.748 3.960 0.000 0.000 0.257 67 G C -0.145 174.717 174.900 -0.063 0.000 0.997 67 G CA 0.594 45.679 45.100 -0.024 0.000 0.708 67 G HN 0.681 nan 8.290 nan 0.000 0.520 68 L N -0.582 120.627 121.223 -0.022 0.000 2.329 68 L HA 0.597 4.937 4.340 0.000 0.000 0.279 68 L C 0.663 177.542 176.870 0.014 0.000 1.014 68 L CA -1.636 53.186 54.840 -0.029 0.000 0.814 68 L CB 1.004 43.044 42.059 -0.032 0.000 1.257 68 L HN 0.036 nan 8.230 nan 0.000 0.424 69 Y N 1.503 121.787 120.300 -0.026 0.000 2.607 69 Y HA -0.109 4.441 4.550 0.000 0.000 0.348 69 Y C 1.211 176.941 175.900 -0.283 0.000 1.261 69 Y CA 0.293 58.360 58.100 -0.056 0.000 1.480 69 Y CB 0.476 38.878 38.460 -0.095 0.000 1.358 69 Y HN 0.518 nan 8.280 nan 0.000 0.630 70 L N 2.352 123.495 121.223 -0.134 0.000 2.081 70 L HA -0.317 4.023 4.340 0.000 0.000 0.212 70 L C 2.205 178.855 176.870 -0.368 0.000 1.080 70 L CA 1.980 56.482 54.840 -0.563 0.000 0.754 70 L CB -0.305 41.691 42.059 -0.107 0.000 0.893 70 L HN 0.905 nan 8.230 nan 0.000 0.433 71 M N -1.424 118.075 119.600 -0.169 0.000 2.267 71 M HA -0.182 4.298 4.480 0.000 0.000 0.263 71 M C 1.282 177.504 176.300 -0.130 0.000 1.063 71 M CA 2.022 57.228 55.300 -0.156 0.000 1.090 71 M CB -0.641 31.818 32.600 -0.236 0.000 1.392 71 M HN 0.252 nan 8.290 nan 0.000 0.422 72 N N -0.121 118.499 118.700 -0.132 0.000 2.414 72 N HA -0.015 4.726 4.740 0.000 0.000 0.177 72 N C 1.616 177.049 175.510 -0.130 0.000 1.062 72 N CA 1.267 54.266 53.050 -0.085 0.000 0.890 72 N CB -0.299 38.156 38.487 -0.053 0.000 1.070 72 N HN 0.749 nan 8.380 nan 0.000 0.454 73 H N 0.515 119.500 119.070 -0.142 0.000 2.482 73 H HA 0.289 4.845 4.556 0.000 0.000 0.286 73 H C 0.476 175.866 175.328 0.104 0.000 1.017 73 H CA 0.714 56.624 56.048 -0.229 0.000 1.322 73 H CB 0.201 29.855 29.762 -0.181 0.000 1.426 73 H HN -0.212 nan 8.280 nan 0.000 0.546 74 R N -0.732 119.850 120.500 0.137 0.000 4.010 74 R HA -0.158 4.182 4.340 0.000 0.000 0.409 74 R C 0.465 176.923 176.300 0.262 0.000 1.120 74 R CA 0.850 57.052 56.100 0.170 0.000 1.244 74 R CB -2.752 27.640 30.300 0.154 0.000 1.799 74 R HN 0.659 nan 8.270 nan 0.000 0.559 75 A N 1.536 124.640 122.820 0.474 0.000 3.030 75 A HA 0.332 4.652 4.320 0.000 0.000 0.273 75 A C 1.687 179.440 177.584 0.282 0.000 1.841 75 A CA 0.476 52.693 52.037 0.300 0.000 1.479 75 A CB -0.502 18.592 19.000 0.157 0.000 1.048 75 A HN 0.319 nan 8.150 nan 0.000 0.612 76 V N -1.966 118.046 119.914 0.164 0.000 3.380 76 V HA 0.101 4.222 4.120 0.000 0.000 0.268 76 V C 0.480 176.604 176.094 0.051 0.000 1.168 76 V CA 0.779 63.133 62.300 0.090 0.000 1.156 76 V CB -0.741 31.081 31.823 -0.002 0.000 0.785 76 V HN 0.650 nan 8.190 nan 0.000 0.487 77 Q N -0.070 119.777 119.800 0.078 0.000 2.575 77 Q HA 0.389 4.729 4.340 0.000 0.000 0.290 77 Q C -1.298 174.776 176.000 0.122 0.000 0.963 77 Q CA -0.741 55.104 55.803 0.069 0.000 0.783 77 Q CB 1.797 30.538 28.738 0.005 0.000 1.467 77 Q HN 0.402 nan 8.270 nan 0.000 0.402 78 N N 1.155 119.947 118.700 0.153 0.000 2.294 78 N HA -0.050 4.690 4.740 0.000 0.000 0.248 78 N C 0.634 176.264 175.510 0.200 0.000 1.242 78 N CA 1.923 55.090 53.050 0.195 0.000 0.848 78 N CB 0.240 38.883 38.487 0.261 0.000 1.084 78 N HN 0.843 nan 8.380 nan 0.000 0.457 79 T N -3.670 111.019 114.554 0.225 0.000 6.412 79 T HA -0.210 4.140 4.350 0.000 0.000 0.279 79 T C -0.099 174.720 174.700 0.199 0.000 2.177 79 T CA 1.039 63.290 62.100 0.252 0.000 3.599 79 T CB -1.958 67.112 68.868 0.338 0.000 1.259 79 T HN 0.195 nan 8.240 nan 0.000 1.146 80 V N 3.264 123.274 119.914 0.160 0.000 2.394 80 V HA 0.557 4.677 4.120 0.000 0.000 0.282 80 V C -1.847 174.340 176.094 0.156 0.000 1.031 80 V CA -1.916 60.466 62.300 0.136 0.000 0.881 80 V CB 1.276 33.159 31.823 0.099 0.000 0.982 80 V HN 0.198 nan 8.190 nan 0.000 0.451 81 P HA 0.028 nan 4.420 nan 0.000 0.267 81 P C -0.757 176.639 177.300 0.159 0.000 1.201 81 P CA -0.114 63.098 63.100 0.187 0.000 0.775 81 P CB 0.400 32.208 31.700 0.181 0.000 0.854 82 L N 3.063 124.375 121.223 0.148 0.000 2.276 82 L HA 0.318 4.658 4.340 0.000 0.000 0.286 82 L C -0.162 176.785 176.870 0.128 0.000 1.024 82 L CA -0.601 54.332 54.840 0.155 0.000 0.826 82 L CB 0.283 42.415 42.059 0.121 0.000 1.211 82 L HN 0.223 nan 8.230 nan 0.000 0.422 83 D N 3.231 123.697 120.400 0.110 0.000 2.586 83 D HA -0.107 4.533 4.640 0.000 0.000 0.234 83 D C 0.771 177.028 176.300 -0.072 0.000 1.132 83 D CA 0.523 54.510 54.000 -0.021 0.000 0.860 83 D CB 1.075 41.794 40.800 -0.135 0.000 1.159 83 D HN 0.799 nan 8.370 nan 0.000 0.490 84 Q N 3.667 123.441 119.800 -0.044 0.000 2.451 84 Q HA -0.091 4.249 4.340 0.000 0.000 0.206 84 Q C 1.648 177.611 176.000 -0.062 0.000 0.947 84 Q CA 0.133 55.923 55.803 -0.022 0.000 0.937 84 Q CB -0.121 28.624 28.738 0.011 0.000 1.025 84 Q HN 0.533 nan 8.270 nan 0.000 0.511 85 R N 0.360 120.767 120.500 -0.156 0.000 2.170 85 R HA -0.134 4.206 4.340 0.000 0.000 0.242 85 R C -0.243 176.016 176.300 -0.068 0.000 1.145 85 R CA 1.128 57.144 56.100 -0.140 0.000 0.984 85 R CB -0.910 29.274 30.300 -0.193 0.000 0.869 85 R HN 0.452 nan 8.270 nan 0.000 0.455 86 H N 0.650 119.751 119.070 0.050 0.000 2.722 86 H HA 0.163 4.720 4.556 0.000 0.000 0.328 86 H C -0.548 174.801 175.328 0.034 0.000 1.067 86 H CA -1.057 55.023 56.048 0.052 0.000 1.447 86 H CB 1.154 30.960 29.762 0.073 0.000 1.469 86 H HN -0.041 nan 8.280 nan 0.000 0.544 87 L N 4.231 125.545 121.223 0.152 0.000 2.410 87 L HA 0.080 4.420 4.340 0.000 0.000 0.273 87 L C 0.051 176.951 176.870 0.051 0.000 1.144 87 L CA -0.197 54.683 54.840 0.066 0.000 0.863 87 L CB -0.118 41.965 42.059 0.040 0.000 1.140 87 L HN 0.783 nan 8.230 nan 0.000 0.463 88 N N 3.201 121.908 118.700 0.012 0.000 2.483 88 N HA 0.217 4.957 4.740 0.000 0.000 0.285 88 N C 0.595 176.047 175.510 -0.098 0.000 1.210 88 N CA -0.787 52.266 53.050 0.004 0.000 0.931 88 N CB 0.445 38.976 38.487 0.072 0.000 1.220 88 N HN 0.454 nan 8.380 nan 0.000 0.542 89 L N 0.383 121.569 121.223 -0.062 0.000 2.043 89 L HA 0.057 4.397 4.340 0.000 0.000 0.212 89 L C 1.830 178.447 176.870 -0.421 0.000 1.075 89 L CA 2.440 57.191 54.840 -0.148 0.000 0.752 89 L CB -1.291 40.783 42.059 0.024 0.000 0.891 89 L HN 0.865 nan 8.230 nan 0.000 0.432 90 G N -1.229 107.066 108.800 -0.843 0.000 2.404 90 G HA2 -0.267 3.693 3.960 0.000 0.000 0.215 90 G HA3 -0.267 3.693 3.960 0.000 0.000 0.215 90 G C 1.662 176.226 174.900 -0.560 0.000 1.174 90 G CA 0.751 45.159 45.100 -1.154 0.000 0.780 90 G HN 0.312 nan 8.290 nan 0.000 0.537 91 K N 0.904 121.066 120.400 -0.397 0.000 2.032 91 K HA 0.058 4.378 4.320 0.000 0.000 0.209 91 K C 2.807 179.310 176.600 -0.161 0.000 1.048 91 K CA 1.365 57.527 56.287 -0.208 0.000 0.927 91 K CB -0.626 31.800 32.500 -0.123 0.000 0.712 91 K HN 0.235 nan 8.250 nan 0.000 0.441 92 A N 0.373 123.094 122.820 -0.165 0.000 1.933 92 A HA -0.141 4.179 4.320 0.000 0.000 0.218 92 A C 2.170 179.684 177.584 -0.117 0.000 1.175 92 A CA 1.424 53.392 52.037 -0.115 0.000 0.628 92 A CB -0.655 18.283 19.000 -0.103 0.000 0.814 92 A HN 0.230 nan 8.150 nan 0.000 0.444 93 L N -1.050 120.059 121.223 -0.190 0.000 2.017 93 L HA -0.192 4.148 4.340 0.000 0.000 0.208 93 L C 2.829 179.687 176.870 -0.020 0.000 1.073 93 L CA 1.488 56.244 54.840 -0.141 0.000 0.745 93 L CB -0.460 41.427 42.059 -0.287 0.000 0.894 93 L HN 0.346 nan 8.230 nan 0.000 0.432 94 R N -0.073 120.390 120.500 -0.062 0.000 2.139 94 R HA -0.179 4.162 4.340 0.000 0.000 0.243 94 R C 2.319 178.619 176.300 0.000 0.000 1.145 94 R CA 1.337 57.426 56.100 -0.018 0.000 0.976 94 R CB -0.549 29.722 30.300 -0.048 0.000 0.866 94 R HN 0.375 nan 8.270 nan 0.000 0.449 95 A N 1.596 124.408 122.820 -0.014 0.000 2.015 95 A HA -0.066 4.255 4.320 0.000 0.000 0.219 95 A C 1.931 179.528 177.584 0.022 0.000 1.163 95 A CA 0.974 53.010 52.037 -0.001 0.000 0.646 95 A CB -0.398 18.595 19.000 -0.011 0.000 0.806 95 A HN 0.469 nan 8.150 nan 0.000 0.448 96 I N -5.187 115.413 120.570 0.049 0.000 3.889 96 I HA 0.535 4.705 4.170 0.000 0.000 0.332 96 I C 0.954 177.160 176.117 0.148 0.000 1.493 96 I CA 0.374 61.728 61.300 0.091 0.000 1.158 96 I CB -0.173 37.882 38.000 0.093 0.000 1.117 96 I HN 0.277 nan 8.210 nan 0.000 0.411 97 G N 0.886 109.741 108.800 0.093 0.000 2.143 97 G HA2 -0.304 3.656 3.960 0.000 0.000 0.249 97 G HA3 -0.304 3.656 3.960 0.000 0.000 0.249 97 G C -0.288 174.589 174.900 -0.038 0.000 0.981 97 G CA -0.124 44.989 45.100 0.022 0.000 0.665 97 G HN 0.499 nan 8.290 nan 0.000 0.528 98 Y N 0.554 120.872 120.300 0.029 0.000 2.323 98 Y HA 0.515 5.065 4.550 0.000 0.000 0.331 98 Y C 0.524 176.469 175.900 0.075 0.000 1.092 98 Y CA -0.788 57.357 58.100 0.075 0.000 1.150 98 Y CB 1.346 39.857 38.460 0.086 0.000 1.200 98 Y HN 0.141 nan 8.280 nan 0.000 0.472 99 D N 5.073 125.622 120.400 0.248 0.000 2.317 99 D HA 0.172 4.812 4.640 0.000 0.000 0.252 99 D C -2.390 174.105 176.300 0.324 0.000 1.174 99 D CA -2.006 52.130 54.000 0.227 0.000 0.866 99 D CB 0.936 41.873 40.800 0.229 0.000 1.127 99 D HN 0.150 nan 8.370 nan 0.000 0.467 100 P HA 0.212 nan 4.420 nan 0.000 0.225 100 P C -0.803 176.760 177.300 0.438 0.000 1.813 100 P CA -0.460 62.819 63.100 0.298 0.000 1.013 100 P CB 0.081 31.707 31.700 -0.122 0.000 1.961 101 A N 2.963 125.992 122.820 0.348 0.000 2.488 101 A HA 0.348 4.668 4.320 0.000 0.000 0.249 101 A C -0.227 177.359 177.584 0.003 0.000 1.083 101 A CA -0.064 51.974 52.037 -0.000 0.000 0.768 101 A CB -0.245 18.431 19.000 -0.541 0.000 1.017 101 A HN 0.580 nan 8.150 nan 0.000 0.496 102 L N 3.400 124.583 121.223 -0.066 0.000 2.408 102 L HA 0.759 5.099 4.340 0.000 0.000 0.268 102 L C -1.145 175.590 176.870 -0.225 0.000 0.986 102 L CA -0.577 54.162 54.840 -0.167 0.000 0.820 102 L CB 1.552 43.409 42.059 -0.337 0.000 1.303 102 L HN 0.659 nan 8.230 nan 0.000 0.411 103 I N 4.811 125.243 120.570 -0.230 0.000 2.509 103 I HA 0.734 4.904 4.170 0.000 0.000 0.293 103 I C 0.598 176.524 176.117 -0.318 0.000 1.020 103 I CA 0.095 61.251 61.300 -0.240 0.000 1.088 103 I CB 1.726 39.554 38.000 -0.287 0.000 1.267 103 I HN 0.918 nan 8.210 nan 0.000 0.430 104 G N 5.407 114.040 108.800 -0.278 0.000 2.680 104 G HA2 -0.144 3.816 3.960 0.000 0.000 0.222 104 G HA3 -0.144 3.816 3.960 0.000 0.000 0.222 104 G C -1.135 173.751 174.900 -0.022 0.000 1.460 104 G CA 0.103 44.941 45.100 -0.437 0.000 1.275 104 G HN 0.970 nan 8.290 nan 0.000 0.506 105 Y N -2.209 117.970 120.300 -0.202 0.000 2.687 105 Y HA 0.593 5.143 4.550 0.000 0.000 0.338 105 Y C 0.538 176.330 175.900 -0.180 0.000 1.189 105 Y CA 0.374 58.403 58.100 -0.117 0.000 1.097 105 Y CB 0.771 39.251 38.460 0.033 0.000 1.342 105 Y HN 1.101 nan 8.280 nan 0.000 0.461 106 T N -3.770 110.762 114.554 -0.036 0.000 2.975 106 T HA 0.170 4.520 4.350 0.000 0.000 0.261 106 T C 0.450 175.200 174.700 0.084 0.000 0.984 106 T CA 0.494 62.544 62.100 -0.082 0.000 0.911 106 T CB -0.305 68.440 68.868 -0.205 0.000 1.127 106 T HN 1.193 nan 8.240 nan 0.000 0.514 107 T N 2.356 117.005 114.554 0.158 0.000 4.039 107 T HA -0.154 4.197 4.350 0.000 0.000 0.352 107 T C 0.002 174.761 174.700 0.097 0.000 0.756 107 T CA 1.109 63.295 62.100 0.143 0.000 1.923 107 T CB -2.456 66.529 68.868 0.196 0.000 1.848 107 T HN 0.684 nan 8.240 nan 0.000 0.835 108 T N 2.641 117.230 114.554 0.059 0.000 2.771 108 T HA 0.425 4.775 4.350 0.000 0.000 0.291 108 T C 0.689 175.420 174.700 0.052 0.000 0.954 108 T CA -0.466 61.665 62.100 0.052 0.000 1.045 108 T CB 1.229 70.116 68.868 0.032 0.000 0.917 108 T HN 0.220 nan 8.240 nan 0.000 0.484 109 T N 6.838 121.444 114.554 0.087 0.000 2.749 109 T HA 0.353 4.703 4.350 0.000 0.000 0.295 109 T C -2.118 172.643 174.700 0.101 0.000 0.936 109 T CA -1.182 60.983 62.100 0.109 0.000 1.060 109 T CB 0.779 69.774 68.868 0.212 0.000 0.904 109 T HN 0.333 nan 8.240 nan 0.000 0.500 110 P HA 0.136 nan 4.420 nan 0.000 0.274 110 P C -0.361 177.071 177.300 0.221 0.000 1.260 110 P CA -0.570 62.524 63.100 -0.009 0.000 0.793 110 P CB 0.491 32.029 31.700 -0.270 0.000 1.048 111 D N 0.457 120.966 120.400 0.182 0.000 2.316 111 D HA 0.126 4.766 4.640 0.000 0.000 0.245 111 D C -1.666 174.800 176.300 0.278 0.000 1.171 111 D CA -2.024 52.095 54.000 0.199 0.000 0.856 111 D CB 0.495 41.356 40.800 0.101 0.000 1.090 111 D HN 0.043 nan 8.370 nan 0.000 0.476 112 P HA -0.048 nan 4.420 nan 0.000 0.219 112 P C 0.954 178.318 177.300 0.107 0.000 1.146 112 P CA 0.896 64.096 63.100 0.166 0.000 0.808 112 P CB 0.303 31.968 31.700 -0.058 0.000 0.779 113 R N -1.232 119.315 120.500 0.079 0.000 2.276 113 R HA 0.033 4.373 4.340 0.000 0.000 0.203 113 R C 1.399 177.732 176.300 0.055 0.000 1.017 113 R CA 1.581 57.710 56.100 0.048 0.000 1.010 113 R CB -0.483 29.834 30.300 0.029 0.000 0.900 113 R HN 0.305 nan 8.270 nan 0.000 0.469 114 T N -4.781 109.820 114.554 0.078 0.000 3.043 114 T HA 0.155 4.505 4.350 0.000 0.000 0.272 114 T C 0.346 175.094 174.700 0.079 0.000 0.990 114 T CA -0.317 61.821 62.100 0.064 0.000 0.897 114 T CB 0.938 69.835 68.868 0.049 0.000 1.111 114 T HN -0.093 nan 8.240 nan 0.000 0.529 115 T N 1.037 115.670 114.554 0.132 0.000 2.868 115 T HA 0.575 4.925 4.350 0.000 0.000 0.306 115 T C -0.926 173.902 174.700 0.213 0.000 1.224 115 T CA -0.357 61.829 62.100 0.143 0.000 1.012 115 T CB 1.963 70.889 68.868 0.096 0.000 1.221 115 T HN 0.237 nan 8.240 nan 0.000 0.499 116 S N 1.498 117.298 115.700 0.167 0.000 2.572 116 S HA 0.437 4.907 4.470 0.000 0.000 0.279 116 S C 1.699 176.441 174.600 0.237 0.000 1.341 116 S CA 0.196 58.485 58.200 0.149 0.000 1.043 116 S CB 0.471 63.728 63.200 0.096 0.000 0.887 116 S HN 0.933 nan 8.310 nan 0.000 0.516 117 A N 5.050 127.942 122.820 0.120 0.000 2.070 117 A HA -0.046 4.274 4.320 0.000 0.000 0.220 117 A C 2.153 179.823 177.584 0.142 0.000 1.159 117 A CA 0.932 53.003 52.037 0.057 0.000 0.656 117 A CB -0.368 18.604 19.000 -0.047 0.000 0.800 117 A HN 0.880 nan 8.150 nan 0.000 0.453 118 R N 0.201 120.776 120.500 0.126 0.000 2.310 118 R HA 0.006 4.346 4.340 0.000 0.000 0.202 118 R C -0.159 176.213 176.300 0.121 0.000 0.933 118 R CA 0.040 56.201 56.100 0.102 0.000 1.054 118 R CB -0.310 30.026 30.300 0.059 0.000 0.985 118 R HN 0.495 nan 8.270 nan 0.000 0.489 119 D N 2.047 122.554 120.400 0.178 0.000 2.487 119 D HA -0.025 4.615 4.640 0.000 0.000 0.243 119 D C -1.588 174.750 176.300 0.065 0.000 1.154 119 D CA -1.460 52.596 54.000 0.094 0.000 0.876 119 D CB 1.467 42.288 40.800 0.035 0.000 1.161 119 D HN -0.089 nan 8.370 nan 0.000 0.478 120 P HA -0.122 nan 4.420 nan 0.000 0.217 120 P C 1.072 178.355 177.300 -0.029 0.000 1.148 120 P CA 1.157 64.258 63.100 0.001 0.000 0.828 120 P CB 0.183 31.876 31.700 -0.013 0.000 0.783 121 R N -1.970 118.457 120.500 -0.121 0.000 2.237 121 R HA -0.024 4.316 4.340 0.000 0.000 0.219 121 R C 1.321 177.512 176.300 -0.181 0.000 1.080 121 R CA 0.770 56.758 56.100 -0.185 0.000 0.995 121 R CB -0.628 29.492 30.300 -0.300 0.000 0.875 121 R HN 0.221 nan 8.270 nan 0.000 0.462 122 F N -0.385 119.576 119.950 0.018 0.000 2.816 122 F HA 0.007 4.534 4.527 0.000 0.000 0.302 122 F C 1.851 177.650 175.800 -0.002 0.000 1.178 122 F CA 0.725 58.736 58.000 0.018 0.000 1.421 122 F CB 0.049 39.058 39.000 0.014 0.000 1.114 122 F HN -0.138 nan 8.300 nan 0.000 0.573 123 T N -0.909 113.716 114.554 0.119 0.000 3.037 123 T HA 0.173 4.523 4.350 0.000 0.000 0.251 123 T C 0.550 175.258 174.700 0.013 0.000 1.079 123 T CA 0.438 62.562 62.100 0.040 0.000 1.067 123 T CB 0.064 68.943 68.868 0.019 0.000 0.948 123 T HN -0.005 nan 8.240 nan 0.000 0.496 124 V N -1.057 118.885 119.914 0.047 0.000 3.113 124 V HA 0.587 4.707 4.120 0.000 0.000 0.316 124 V C 1.304 177.478 176.094 0.134 0.000 1.125 124 V CA -0.906 61.430 62.300 0.061 0.000 1.026 124 V CB 1.381 33.217 31.823 0.020 0.000 1.080 124 V HN 0.016 nan 8.190 nan 0.000 0.444 125 L N 1.783 123.106 121.223 0.167 0.000 2.043 125 L HA 0.370 4.710 4.340 0.000 0.000 0.212 125 L C 1.085 178.055 176.870 0.168 0.000 1.075 125 L CA 2.794 57.766 54.840 0.221 0.000 0.752 125 L CB -0.548 41.597 42.059 0.143 0.000 0.891 125 L HN 1.295 nan 8.230 nan 0.000 0.432 126 G N -3.096 105.765 108.800 0.101 0.000 2.349 126 G HA2 0.379 4.339 3.960 0.000 0.000 0.294 126 G HA3 0.379 4.339 3.960 0.000 0.000 0.294 126 G C -2.176 172.746 174.900 0.036 0.000 1.380 126 G CA -0.264 44.881 45.100 0.075 0.000 0.811 126 G HN -0.068 nan 8.290 nan 0.000 0.519 127 D N -1.066 119.346 120.400 0.020 0.000 2.626 127 D HA 0.400 5.041 4.640 0.000 0.000 0.278 127 D C -0.352 175.952 176.300 0.006 0.000 1.211 127 D CA -0.632 53.372 54.000 0.006 0.000 0.903 127 D CB 2.780 43.561 40.800 -0.031 0.000 1.408 127 D HN 0.513 nan 8.370 nan 0.000 0.454 128 I N 1.634 122.204 120.570 -0.001 0.000 2.845 128 I HA -0.066 4.105 4.170 0.000 0.000 0.296 128 I C 0.764 176.877 176.117 -0.006 0.000 1.216 128 I CA 0.301 61.581 61.300 -0.033 0.000 1.438 128 I CB 0.262 38.242 38.000 -0.032 0.000 1.342 128 I HN 0.385 nan 8.210 nan 0.000 0.577 129 M N 6.491 126.089 119.600 -0.004 0.000 2.228 129 M HA 0.078 4.559 4.480 0.000 0.000 0.351 129 M C -0.137 176.270 176.300 0.179 0.000 1.233 129 M CA -0.095 55.260 55.300 0.093 0.000 1.129 129 M CB 0.324 33.004 32.600 0.134 0.000 1.604 129 M HN 0.557 nan 8.290 nan 0.000 0.457 130 D N 2.688 123.159 120.400 0.118 0.000 2.488 130 D HA 0.306 4.946 4.640 0.000 0.000 0.238 130 D C 0.825 177.187 176.300 0.103 0.000 1.138 130 D CA 2.045 56.101 54.000 0.092 0.000 0.873 130 D CB 0.478 41.306 40.800 0.047 0.000 1.183 130 D HN 0.836 nan 8.370 nan 0.000 0.458 131 G N 0.925 109.753 108.800 0.048 0.000 2.179 131 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 131 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 131 G C -0.073 174.681 174.900 -0.244 0.000 0.990 131 G CA -0.598 44.441 45.100 -0.101 0.000 0.646 131 G HN 0.386 nan 8.290 nan 0.000 0.517 132 F N -0.081 119.861 119.950 -0.013 0.000 2.556 132 F HA 0.714 5.241 4.527 0.000 0.000 0.327 132 F C 0.754 176.555 175.800 0.001 0.000 1.059 132 F CA -1.104 56.892 58.000 -0.008 0.000 0.953 132 F CB 1.501 40.480 39.000 -0.036 0.000 1.227 132 F HN -0.065 nan 8.300 nan 0.000 0.478 133 R N 1.507 122.142 120.500 0.224 0.000 2.204 133 R HA 0.249 4.590 4.340 0.000 0.000 0.341 133 R C -0.448 175.905 176.300 0.088 0.000 1.035 133 R CA -0.160 56.020 56.100 0.133 0.000 0.887 133 R CB 0.900 31.270 30.300 0.117 0.000 1.114 133 R HN 0.667 nan 8.270 nan 0.000 0.473 134 S N 3.145 118.882 115.700 0.062 0.000 2.481 134 S HA 0.058 4.528 4.470 0.000 0.000 0.282 134 S C 0.844 175.452 174.600 0.012 0.000 1.243 134 S CA -0.495 57.714 58.200 0.015 0.000 1.078 134 S CB 0.451 63.668 63.200 0.029 0.000 0.916 134 S HN 0.540 nan 8.310 nan 0.000 0.495 135 V N 2.299 122.191 119.914 -0.036 0.000 3.159 135 V HA 0.707 4.827 4.120 0.000 0.000 0.333 135 V C 0.573 176.640 176.094 -0.045 0.000 1.424 135 V CA 0.135 62.420 62.300 -0.024 0.000 1.125 135 V CB 0.090 31.869 31.823 -0.073 0.000 1.075 135 V HN 0.978 nan 8.190 nan 0.000 0.482 136 G N 0.302 109.081 108.800 -0.035 0.000 3.411 136 G HA2 0.534 4.494 3.960 0.000 0.000 0.241 136 G HA3 0.534 4.494 3.960 0.000 0.000 0.241 136 G C -0.372 174.572 174.900 0.074 0.000 3.906 136 G CA 0.116 45.184 45.100 -0.055 0.000 0.435 136 G HN 0.956 nan 8.290 nan 0.000 0.284 137 A N 1.192 124.129 122.820 0.195 0.000 2.276 137 A HA 0.650 4.970 4.320 0.000 0.000 0.300 137 A C 0.872 178.745 177.584 0.482 0.000 1.235 137 A CA -0.549 51.643 52.037 0.259 0.000 0.867 137 A CB 0.429 19.527 19.000 0.163 0.000 1.137 137 A HN 0.886 nan 8.150 nan 0.000 0.527 138 F N 1.333 121.512 119.950 0.382 0.000 2.250 138 F HA -0.026 4.501 4.527 0.000 0.000 0.301 138 F C 1.156 177.025 175.800 0.115 0.000 1.077 138 F CA 1.913 60.106 58.000 0.321 0.000 1.348 138 F CB -0.576 38.607 39.000 0.305 0.000 1.040 138 F HN 0.922 nan 8.300 nan 0.000 0.509 139 E N -1.644 118.673 120.200 0.195 0.000 9.112 139 E HA -0.194 4.156 4.350 0.000 0.000 0.482 139 E C -2.737 173.830 176.600 -0.055 0.000 1.440 139 E CA 0.511 56.943 56.400 0.054 0.000 2.531 139 E CB -1.183 28.541 29.700 0.041 0.000 1.051 139 E HN 0.034 nan 8.360 nan 0.000 0.322 140 P HA 0.375 nan 4.420 nan 0.000 0.284 140 P C -0.703 176.525 177.300 -0.121 0.000 1.258 140 P CA -0.065 62.982 63.100 -0.090 0.000 0.824 140 P CB 0.558 32.231 31.700 -0.044 0.000 1.038 141 N N 1.249 119.863 118.700 -0.144 0.000 2.732 141 N HA -0.240 4.500 4.740 0.000 0.000 0.250 141 N C 0.165 175.572 175.510 -0.172 0.000 1.097 141 N CA 1.343 54.319 53.050 -0.122 0.000 0.812 141 N CB -2.284 36.172 38.487 -0.051 0.000 1.148 141 N HN 0.644 nan 8.380 nan 0.000 0.572 142 M N -2.359 116.987 119.600 -0.423 0.000 2.653 142 M HA -0.294 4.186 4.480 0.000 0.000 0.203 142 M C 0.818 176.986 176.300 -0.220 0.000 0.502 142 M CA 1.286 56.161 55.300 -0.709 0.000 0.601 142 M CB -1.642 30.390 32.600 -0.946 0.000 2.228 142 M HN 0.274 nan 8.290 nan 0.000 0.711 143 E N 0.200 120.351 120.200 -0.081 0.000 2.152 143 E HA -0.058 4.292 4.350 0.000 0.000 0.192 143 E C 2.136 178.739 176.600 0.005 0.000 0.983 143 E CA 1.071 57.486 56.400 0.023 0.000 0.818 143 E CB -0.048 29.657 29.700 0.008 0.000 0.758 143 E HN 0.810 nan 8.360 nan 0.000 0.467 144 G N 0.880 109.685 108.800 0.009 0.000 2.469 144 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 144 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 144 G C 1.397 176.188 174.900 -0.181 0.000 1.136 144 G CA 1.114 46.246 45.100 0.054 0.000 0.759 144 G HN 0.293 nan 8.290 nan 0.000 0.562 145 Y N 0.364 120.369 120.300 -0.492 0.000 2.176 145 Y HA 0.159 4.709 4.550 0.000 0.000 0.291 145 Y C 2.376 178.027 175.900 -0.416 0.000 1.122 145 Y CA 0.635 58.163 58.100 -0.953 0.000 1.128 145 Y CB -0.436 37.639 38.460 -0.641 0.000 1.005 145 Y HN 0.117 nan 8.280 nan 0.000 0.509 146 F N 0.706 120.443 119.950 -0.356 0.000 2.095 146 F HA -0.050 4.477 4.527 0.000 0.000 0.298 146 F C 2.728 178.337 175.800 -0.318 0.000 1.104 146 F CA 1.669 59.415 58.000 -0.423 0.000 1.232 146 F CB -1.253 37.596 39.000 -0.251 0.000 0.987 146 F HN 0.166 nan 8.300 nan 0.000 0.475 147 G N -1.408 107.385 108.800 -0.011 0.000 2.440 147 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 147 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 147 G C 1.567 176.445 174.900 -0.036 0.000 1.154 147 G CA 0.769 45.853 45.100 -0.028 0.000 0.767 147 G HN 0.524 nan 8.290 nan 0.000 0.552 148 W N 0.997 122.133 121.300 -0.274 0.000 2.338 148 W HA -0.132 4.528 4.660 0.000 0.000 0.304 148 W C 2.448 178.787 176.519 -0.300 0.000 1.212 148 W CA 1.936 59.133 57.345 -0.247 0.000 1.264 148 W CB -0.356 28.907 29.460 -0.329 0.000 1.142 148 W HN 0.044 nan 8.180 nan 0.000 0.512 149 V N 1.412 121.118 119.914 -0.346 0.000 2.261 149 V HA -0.323 3.797 4.120 0.000 0.000 0.246 149 V C 2.572 178.375 176.094 -0.485 0.000 1.047 149 V CA 2.432 64.373 62.300 -0.598 0.000 1.015 149 V CB -1.790 29.739 31.823 -0.491 0.000 0.642 149 V HN 0.345 nan 8.190 nan 0.000 0.446 150 A N -0.510 122.146 122.820 -0.273 0.000 1.908 150 A HA -0.321 3.999 4.320 0.000 0.000 0.218 150 A C 2.168 179.611 177.584 -0.234 0.000 1.181 150 A CA 2.341 54.254 52.037 -0.208 0.000 0.627 150 A CB -0.592 18.324 19.000 -0.141 0.000 0.818 150 A HN 0.547 nan 8.150 nan 0.000 0.445 151 Q N 0.339 119.999 119.800 -0.233 0.000 2.224 151 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 151 Q C 1.466 177.308 176.000 -0.263 0.000 0.970 151 Q CA 1.531 57.218 55.803 -0.192 0.000 0.865 151 Q CB -0.404 28.261 28.738 -0.121 0.000 0.922 151 Q HN 0.629 nan 8.270 nan 0.000 0.445 152 N N -0.530 117.897 118.700 -0.454 0.000 2.571 152 N HA -0.013 4.727 4.740 0.000 0.000 0.189 152 N C 0.502 175.774 175.510 -0.396 0.000 1.154 152 N CA 1.067 53.815 53.050 -0.504 0.000 0.907 152 N CB 0.298 38.235 38.487 -0.917 0.000 0.977 152 N HN 0.482 nan 8.380 nan 0.000 0.449 153 G N 0.436 109.045 108.800 -0.318 0.000 2.175 153 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 153 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 153 G C -0.039 174.740 174.900 -0.202 0.000 0.982 153 G CA -0.259 44.716 45.100 -0.208 0.000 0.641 153 G HN 0.371 nan 8.290 nan 0.000 0.527 154 F N 2.872 122.535 119.950 -0.479 0.000 2.472 154 F HA 0.496 5.023 4.527 0.000 0.000 0.364 154 F C 0.742 176.388 175.800 -0.256 0.000 1.090 154 F CA -0.761 57.014 58.000 -0.376 0.000 1.188 154 F CB 0.617 39.267 39.000 -0.584 0.000 1.105 154 F HN 0.075 nan 8.300 nan 0.000 0.536 155 E N 7.358 127.182 120.200 -0.626 0.000 2.328 155 E HA 0.081 4.431 4.350 0.000 0.000 0.265 155 E C -0.382 175.985 176.600 -0.388 0.000 1.057 155 E CA 0.080 56.218 56.400 -0.436 0.000 0.916 155 E CB 0.830 30.291 29.700 -0.397 0.000 0.993 155 E HN 0.642 nan 8.360 nan 0.000 0.446 156 L N 5.496 126.619 121.223 -0.167 0.000 2.375 156 L HA 0.283 4.623 4.340 0.000 0.000 0.271 156 L C -1.615 175.172 176.870 -0.138 0.000 1.107 156 L CA -1.808 52.975 54.840 -0.094 0.000 0.806 156 L CB 0.426 42.400 42.059 -0.142 0.000 1.146 156 L HN 0.307 nan 8.230 nan 0.000 0.447 157 P HA 0.084 nan 4.420 nan 0.000 0.272 157 P C 0.330 177.549 177.300 -0.134 0.000 1.240 157 P CA -0.438 62.597 63.100 -0.108 0.000 0.791 157 P CB 0.757 32.416 31.700 -0.069 0.000 0.978 158 E N 0.686 120.824 120.200 -0.102 0.000 2.045 158 E HA -0.226 4.124 4.350 0.000 0.000 0.212 158 E C 0.779 177.307 176.600 -0.120 0.000 1.039 158 E CA 1.320 57.661 56.400 -0.098 0.000 0.860 158 E CB -0.512 29.149 29.700 -0.065 0.000 0.776 158 E HN 0.582 nan 8.360 nan 0.000 0.467 159 N N 0.726 119.371 118.700 -0.092 0.000 2.415 159 N HA 0.015 4.755 4.740 0.000 0.000 0.250 159 N C 0.779 176.178 175.510 -0.184 0.000 1.127 159 N CA -0.165 52.824 53.050 -0.103 0.000 0.945 159 N CB 0.482 38.962 38.487 -0.012 0.000 1.196 159 N HN -0.034 nan 8.380 nan 0.000 0.499 160 R N 2.023 122.302 120.500 -0.369 0.000 2.153 160 R HA -0.199 4.141 4.340 0.000 0.000 0.252 160 R C 1.167 177.146 176.300 -0.536 0.000 1.158 160 R CA 1.860 57.558 56.100 -0.670 0.000 0.975 160 R CB 0.019 29.451 30.300 -1.447 0.000 0.871 160 R HN 0.706 nan 8.270 nan 0.000 0.450 161 E N -0.012 119.976 120.200 -0.354 0.000 2.478 161 E HA -0.114 4.236 4.350 0.000 0.000 0.198 161 E C 0.536 176.902 176.600 -0.390 0.000 1.046 161 E CA 0.429 56.609 56.400 -0.367 0.000 0.870 161 E CB 0.070 29.653 29.700 -0.195 0.000 0.818 161 E HN 0.346 nan 8.360 nan 0.000 0.527 162 D N 1.141 121.483 120.400 -0.096 0.000 2.378 162 D HA -0.090 4.550 4.640 0.000 0.000 0.227 162 D C 1.908 178.219 176.300 0.019 0.000 1.012 162 D CA 0.336 54.389 54.000 0.089 0.000 0.905 162 D CB -0.159 40.709 40.800 0.112 0.000 0.895 162 D HN 0.445 nan 8.370 nan 0.000 0.532 163 I N -3.022 117.456 120.570 -0.154 0.000 2.423 163 I HA -0.144 4.026 4.170 0.000 0.000 0.254 163 I C 1.118 177.227 176.117 -0.013 0.000 1.151 163 I CA 0.985 62.211 61.300 -0.123 0.000 1.421 163 I CB -0.310 37.538 38.000 -0.252 0.000 1.079 163 I HN -0.064 nan 8.210 nan 0.000 0.431 164 W N 1.971 123.359 121.300 0.147 0.000 3.330 164 W HA 0.441 5.101 4.660 0.000 0.000 0.348 164 W C 0.643 177.303 176.519 0.234 0.000 1.205 164 W CA -1.058 56.382 57.345 0.159 0.000 1.841 164 W CB -0.651 28.872 29.460 0.105 0.000 1.084 164 W HN 0.070 nan 8.180 nan 0.000 0.665 165 L N 3.116 124.582 121.223 0.405 0.000 2.485 165 L HA 0.058 4.399 4.340 0.000 0.000 0.275 165 L C -1.665 175.357 176.870 0.254 0.000 1.207 165 L CA -1.165 53.872 54.840 0.328 0.000 0.855 165 L CB 0.130 42.331 42.059 0.237 0.000 1.114 165 L HN -0.407 nan 8.230 nan 0.000 0.485 166 P HA 0.115 nan 4.420 nan 0.000 0.277 166 P C -0.732 176.635 177.300 0.113 0.000 1.240 166 P CA -0.601 62.599 63.100 0.167 0.000 0.798 166 P CB 0.646 32.437 31.700 0.152 0.000 0.979 167 E N 1.546 121.794 120.200 0.081 0.000 2.481 167 E HA 0.343 4.693 4.350 0.000 0.000 0.263 167 E C 0.210 176.828 176.600 0.030 0.000 0.992 167 E CA 1.324 57.753 56.400 0.047 0.000 0.938 167 E CB -0.399 29.311 29.700 0.017 0.000 0.933 167 E HN 0.757 nan 8.360 nan 0.000 0.453 168 G N 2.079 110.878 108.800 -0.001 0.000 3.209 168 G HA2 0.055 4.015 3.960 0.000 0.000 0.686 168 G HA3 0.055 4.015 3.960 0.000 0.000 0.686 168 G C 0.362 175.204 174.900 -0.097 0.000 1.065 168 G CA -0.007 45.059 45.100 -0.057 0.000 0.812 168 G HN 0.662 nan 8.290 nan 0.000 0.573 169 E N 0.423 120.489 120.200 -0.222 0.000 2.463 169 E HA -0.020 4.330 4.350 0.000 0.000 0.201 169 E C 1.484 177.968 176.600 -0.193 0.000 1.045 169 E CA 1.969 58.228 56.400 -0.235 0.000 0.872 169 E CB -0.592 29.030 29.700 -0.131 0.000 0.797 169 E HN 1.063 nan 8.360 nan 0.000 0.538 170 H N -1.283 117.807 119.070 0.032 0.000 2.672 170 H HA 0.358 4.914 4.556 0.000 0.000 0.277 170 H C 0.099 175.446 175.328 0.032 0.000 1.074 170 H CA -0.188 55.877 56.048 0.029 0.000 1.173 170 H CB 1.063 30.839 29.762 0.024 0.000 1.558 170 H HN 0.153 nan 8.280 nan 0.000 0.539 171 S N 1.875 117.635 115.700 0.099 0.000 2.474 171 S HA 0.122 4.592 4.470 0.000 0.000 0.276 171 S C 0.379 175.025 174.600 0.076 0.000 1.227 171 S CA -0.571 57.679 58.200 0.083 0.000 1.050 171 S CB 0.998 64.239 63.200 0.069 0.000 0.939 171 S HN 0.090 nan 8.310 nan 0.000 0.490 172 V N 7.240 127.193 119.914 0.064 0.000 2.493 172 V HA 0.090 4.210 4.120 0.000 0.000 0.292 172 V C -1.887 174.233 176.094 0.044 0.000 1.016 172 V CA -1.233 61.095 62.300 0.046 0.000 1.097 172 V CB -0.229 31.609 31.823 0.024 0.000 0.947 172 V HN 0.647 nan 8.190 nan 0.000 0.479 173 P HA 0.484 nan 4.420 nan 0.000 0.268 173 P C 0.405 177.715 177.300 0.016 0.000 1.205 173 P CA 0.877 64.022 63.100 0.077 0.000 0.771 173 P CB 0.707 32.462 31.700 0.091 0.000 0.858 174 G N 0.773 109.559 108.800 -0.025 0.000 2.315 174 G HA2 0.281 4.241 3.960 0.000 0.000 0.296 174 G HA3 0.281 4.241 3.960 0.000 0.000 0.296 174 G C -0.967 173.507 174.900 -0.710 0.000 1.289 174 G CA -0.410 44.441 45.100 -0.414 0.000 0.996 174 G HN 0.502 nan 8.290 nan 0.000 0.487 175 A N -0.180 121.922 122.820 -1.197 0.000 2.563 175 A HA 0.545 4.865 4.320 0.000 0.000 0.256 175 A C 0.782 178.253 177.584 -0.190 0.000 1.056 175 A CA 2.085 53.765 52.037 -0.595 0.000 0.775 175 A CB -0.289 18.481 19.000 -0.383 0.000 0.973 175 A HN 2.048 nan 8.150 nan 0.000 0.516 176 T N 0.430 114.980 114.554 -0.006 0.000 2.906 176 T HA 0.497 4.847 4.350 0.000 0.000 0.295 176 T C 0.229 174.998 174.700 0.114 0.000 1.061 176 T CA 0.049 62.184 62.100 0.058 0.000 1.000 176 T CB 1.290 70.219 68.868 0.102 0.000 1.103 176 T HN 0.694 nan 8.240 nan 0.000 0.486 177 D N 1.306 121.775 120.400 0.114 0.000 2.369 177 D HA 0.179 4.819 4.640 0.000 0.000 0.211 177 D C 0.198 176.642 176.300 0.240 0.000 1.077 177 D CA -0.065 54.024 54.000 0.149 0.000 0.842 177 D CB 0.308 41.167 40.800 0.098 0.000 0.947 177 D HN 0.160 nan 8.370 nan 0.000 0.509 178 K N 1.657 122.177 120.400 0.199 0.000 2.087 178 K HA 0.395 4.715 4.320 0.000 0.000 0.255 178 K C -2.355 174.303 176.600 0.096 0.000 0.988 178 K CA -1.926 54.458 56.287 0.162 0.000 0.915 178 K CB 1.040 33.599 32.500 0.098 0.000 1.043 178 K HN 0.078 nan 8.250 nan 0.000 0.457 179 P HA 0.026 nan 4.420 nan 0.000 0.275 179 P C -0.234 177.074 177.300 0.014 0.000 1.266 179 P CA -0.342 62.582 63.100 -0.293 0.000 0.793 179 P CB 0.471 31.768 31.700 -0.671 0.000 1.074 180 S N 0.122 115.893 115.700 0.117 0.000 2.614 180 S HA 0.218 4.688 4.470 0.000 0.000 0.265 180 S C 0.906 175.608 174.600 0.171 0.000 1.303 180 S CA -0.602 57.730 58.200 0.220 0.000 1.000 180 S CB 0.363 63.775 63.200 0.353 0.000 0.935 180 S HN 0.317 nan 8.310 nan 0.000 0.551 181 R N 0.025 120.641 120.500 0.193 0.000 2.346 181 R HA 0.380 4.720 4.340 0.000 0.000 0.225 181 R C -0.130 176.308 176.300 0.230 0.000 0.987 181 R CA 0.118 56.326 56.100 0.181 0.000 1.106 181 R CB -0.547 29.850 30.300 0.163 0.000 1.090 181 R HN 0.629 nan 8.270 nan 0.000 0.502 182 I N 1.054 121.731 120.570 0.178 0.000 2.545 182 I HA 0.383 4.554 4.170 0.000 0.000 0.292 182 I C -2.521 173.641 176.117 0.076 0.000 1.040 182 I CA -3.114 58.215 61.300 0.049 0.000 1.068 182 I CB 2.420 40.397 38.000 -0.039 0.000 1.251 182 I HN -0.131 nan 8.210 nan 0.000 0.424 183 P HA 0.205 nan 4.420 nan 0.000 0.276 183 P C -0.502 176.814 177.300 0.028 0.000 1.252 183 P CA -0.458 62.665 63.100 0.038 0.000 0.802 183 P CB 0.493 32.193 31.700 -0.000 0.000 1.035 184 K N 1.366 121.801 120.400 0.059 0.000 2.217 184 K HA -0.116 4.204 4.320 0.000 0.000 0.202 184 K C 1.155 177.788 176.600 0.056 0.000 1.051 184 K CA 1.188 57.554 56.287 0.132 0.000 0.952 184 K CB -0.339 32.301 32.500 0.234 0.000 0.736 184 K HN 0.395 nan 8.250 nan 0.000 0.453 185 E N 0.702 120.811 120.200 -0.151 0.000 2.409 185 E HA -0.141 4.209 4.350 0.000 0.000 0.198 185 E C 0.209 176.622 176.600 -0.312 0.000 1.024 185 E CA 0.647 56.870 56.400 -0.295 0.000 0.861 185 E CB -0.165 29.211 29.700 -0.540 0.000 0.788 185 E HN 0.438 nan 8.360 nan 0.000 0.521 186 F N 1.860 121.892 119.950 0.137 0.000 2.791 186 F HA 0.219 4.746 4.527 0.000 0.000 0.308 186 F C 0.638 176.705 175.800 0.446 0.000 1.138 186 F CA -1.186 56.933 58.000 0.198 0.000 1.294 186 F CB -0.012 38.836 39.000 -0.253 0.000 0.975 186 F HN -0.118 nan 8.300 nan 0.000 0.512 187 S N -0.186 115.818 115.700 0.507 0.000 2.603 187 S HA 0.060 4.530 4.470 0.000 0.000 0.268 187 S C 1.382 176.201 174.600 0.365 0.000 1.317 187 S CA -0.248 58.201 58.200 0.415 0.000 1.012 187 S CB 0.920 64.262 63.200 0.238 0.000 0.926 187 S HN 0.446 nan 8.310 nan 0.000 0.539 188 D N 1.960 122.337 120.400 -0.038 0.000 2.117 188 D HA -0.150 4.490 4.640 0.000 0.000 0.197 188 D C 1.663 177.823 176.300 -0.233 0.000 0.987 188 D CA 1.452 55.093 54.000 -0.598 0.000 0.829 188 D CB -0.839 39.491 40.800 -0.782 0.000 0.961 188 D HN 0.519 nan 8.370 nan 0.000 0.460 189 S N 0.370 116.109 115.700 0.065 0.000 2.382 189 S HA -0.118 4.353 4.470 0.000 0.000 0.228 189 S C 2.147 176.863 174.600 0.194 0.000 1.027 189 S CA 1.597 59.964 58.200 0.279 0.000 0.991 189 S CB -0.427 62.884 63.200 0.184 0.000 0.823 189 S HN 0.410 nan 8.310 nan 0.000 0.469 190 T N 1.941 116.576 114.554 0.136 0.000 2.821 190 T HA -0.043 4.307 4.350 0.000 0.000 0.267 190 T C 1.400 176.086 174.700 -0.022 0.000 1.046 190 T CA 1.079 63.270 62.100 0.152 0.000 1.139 190 T CB -0.406 68.641 68.868 0.298 0.000 0.871 190 T HN 0.434 nan 8.240 nan 0.000 0.454 191 F N 2.013 121.659 119.950 -0.507 0.000 2.046 191 F HA -0.099 4.428 4.527 0.000 0.000 0.297 191 F C 1.696 177.060 175.800 -0.728 0.000 1.123 191 F CA 1.015 58.303 58.000 -1.188 0.000 1.199 191 F CB -0.896 37.283 39.000 -1.367 0.000 0.972 191 F HN 0.089 nan 8.300 nan 0.000 0.474 192 F N 0.986 120.493 119.950 -0.737 0.000 2.154 192 F HA -0.209 4.318 4.527 0.000 0.000 0.301 192 F C 2.609 178.034 175.800 -0.624 0.000 1.087 192 F CA 1.902 59.391 58.000 -0.851 0.000 1.274 192 F CB -1.799 36.713 39.000 -0.813 0.000 1.009 192 F HN -0.020 nan 8.300 nan 0.000 0.485 193 T N -1.049 113.390 114.554 -0.192 0.000 2.867 193 T HA -0.194 4.156 4.350 0.000 0.000 0.268 193 T C 1.852 176.485 174.700 -0.113 0.000 1.057 193 T CA 1.392 63.451 62.100 -0.068 0.000 1.136 193 T CB -0.242 68.681 68.868 0.091 0.000 0.874 193 T HN 0.390 nan 8.240 nan 0.000 0.466 194 E N 0.678 120.779 120.200 -0.165 0.000 2.112 194 E HA -0.121 4.230 4.350 0.000 0.000 0.190 194 E C 2.314 178.821 176.600 -0.155 0.000 0.979 194 E CA 0.451 56.798 56.400 -0.089 0.000 0.814 194 E CB 0.159 29.888 29.700 0.050 0.000 0.762 194 E HN 0.116 nan 8.360 nan 0.000 0.460 195 R N 0.497 120.801 120.500 -0.326 0.000 2.081 195 R HA -0.083 4.257 4.340 0.000 0.000 0.235 195 R C 2.243 178.446 176.300 -0.162 0.000 1.131 195 R CA 1.241 57.178 56.100 -0.272 0.000 0.960 195 R CB -1.188 28.851 30.300 -0.434 0.000 0.856 195 R HN 0.248 nan 8.270 nan 0.000 0.436 196 A N 1.373 124.080 122.820 -0.189 0.000 1.865 196 A HA -0.126 4.195 4.320 0.000 0.000 0.217 196 A C 2.450 179.977 177.584 -0.095 0.000 1.191 196 A CA 1.351 53.312 52.037 -0.128 0.000 0.623 196 A CB -0.699 18.219 19.000 -0.137 0.000 0.826 196 A HN 0.210 nan 8.150 nan 0.000 0.444 197 L N -0.953 120.195 121.223 -0.124 0.000 2.083 197 L HA -0.159 4.181 4.340 0.000 0.000 0.209 197 L C 2.816 179.554 176.870 -0.220 0.000 1.083 197 L CA 1.703 56.421 54.840 -0.203 0.000 0.752 197 L CB -0.885 41.077 42.059 -0.162 0.000 0.899 197 L HN 0.359 nan 8.230 nan 0.000 0.433 198 T N -1.205 113.279 114.554 -0.118 0.000 2.674 198 T HA -0.262 4.088 4.350 0.000 0.000 0.265 198 T C 1.702 176.353 174.700 -0.081 0.000 1.039 198 T CA 1.613 63.664 62.100 -0.082 0.000 1.150 198 T CB -0.390 68.467 68.868 -0.018 0.000 0.864 198 T HN 0.305 nan 8.240 nan 0.000 0.427 199 Y N 1.736 121.951 120.300 -0.142 0.000 2.081 199 Y HA -0.166 4.384 4.550 0.000 0.000 0.280 199 Y C 2.052 177.859 175.900 -0.155 0.000 1.163 199 Y CA 1.292 59.315 58.100 -0.129 0.000 1.135 199 Y CB -0.648 37.725 38.460 -0.144 0.000 0.970 199 Y HN 0.137 nan 8.280 nan 0.000 0.498 200 L N -0.091 120.960 121.223 -0.287 0.000 2.046 200 L HA -0.243 4.097 4.340 0.000 0.000 0.208 200 L C 2.439 179.158 176.870 -0.251 0.000 1.077 200 L CA 1.841 56.470 54.840 -0.351 0.000 0.747 200 L CB -0.466 41.462 42.059 -0.219 0.000 0.896 200 L HN 0.143 nan 8.230 nan 0.000 0.432 201 K N -0.341 119.865 120.400 -0.323 0.000 2.155 201 K HA -0.067 4.254 4.320 0.000 0.000 0.203 201 K C 2.106 178.639 176.600 -0.110 0.000 1.052 201 K CA 1.007 57.177 56.287 -0.194 0.000 0.948 201 K CB -0.353 31.987 32.500 -0.266 0.000 0.728 201 K HN 0.365 nan 8.250 nan 0.000 0.448 202 G N 1.235 109.929 108.800 -0.178 0.000 2.418 202 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 202 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 202 G C 1.442 176.242 174.900 -0.167 0.000 1.158 202 G CA 0.304 45.314 45.100 -0.150 0.000 0.771 202 G HN 0.107 nan 8.290 nan 0.000 0.545 203 R N 0.161 120.483 120.500 -0.296 0.000 2.117 203 R HA -0.104 4.236 4.340 0.000 0.000 0.243 203 R C 0.871 177.150 176.300 -0.035 0.000 1.143 203 R CA 1.140 57.124 56.100 -0.194 0.000 0.968 203 R CB -0.595 29.561 30.300 -0.239 0.000 0.863 203 R HN 0.357 nan 8.270 nan 0.000 0.444 204 D N -1.141 119.264 120.400 0.008 0.000 2.705 204 D HA -0.170 4.470 4.640 0.000 0.000 0.240 204 D C 0.734 177.078 176.300 0.074 0.000 1.137 204 D CA 1.404 55.439 54.000 0.058 0.000 0.677 204 D CB -1.266 39.554 40.800 0.032 0.000 1.049 204 D HN 0.545 nan 8.370 nan 0.000 0.427 205 G N -0.161 108.707 108.800 0.114 0.000 2.304 205 G HA2 -0.396 3.564 3.960 0.000 0.000 0.252 205 G HA3 -0.396 3.564 3.960 0.000 0.000 0.252 205 G C 0.616 175.594 174.900 0.130 0.000 1.014 205 G CA 0.700 45.874 45.100 0.123 0.000 0.619 205 G HN 0.644 nan 8.290 nan 0.000 0.525 206 K N 1.562 122.026 120.400 0.107 0.000 2.380 206 K HA 0.370 4.691 4.320 0.000 0.000 0.267 206 K C -2.098 174.602 176.600 0.167 0.000 0.990 206 K CA -1.105 55.239 56.287 0.095 0.000 0.946 206 K CB 0.297 32.833 32.500 0.059 0.000 0.937 206 K HN 0.119 nan 8.250 nan 0.000 0.491 207 P HA -0.004 nan 4.420 nan 0.000 0.269 207 P C -1.088 176.377 177.300 0.275 0.000 1.215 207 P CA 0.106 63.280 63.100 0.123 0.000 0.780 207 P CB 0.306 32.001 31.700 -0.009 0.000 0.898 208 F N 0.617 120.779 119.950 0.354 0.000 2.628 208 F HA 0.650 5.177 4.527 0.000 0.000 0.309 208 F C -2.097 174.020 175.800 0.528 0.000 1.108 208 F CA -1.729 56.523 58.000 0.421 0.000 0.971 208 F CB 0.712 39.917 39.000 0.341 0.000 1.279 208 F HN 0.145 nan 8.300 nan 0.000 0.441 209 F N 5.492 125.850 119.950 0.680 0.000 2.443 209 F HA 0.845 5.372 4.527 0.000 0.000 0.335 209 F C -1.868 174.192 175.800 0.434 0.000 1.104 209 F CA -1.290 56.981 58.000 0.451 0.000 1.013 209 F CB 1.703 40.863 39.000 0.266 0.000 1.136 209 F HN 0.749 nan 8.300 nan 0.000 0.470 210 L N 6.653 127.429 121.223 -0.745 0.000 2.505 210 L HA 0.311 4.651 4.340 0.000 0.000 0.266 210 L C -1.798 174.579 176.870 -0.822 0.000 0.954 210 L CA -0.445 53.989 54.840 -0.677 0.000 0.852 210 L CB 1.287 43.161 42.059 -0.309 0.000 1.282 210 L HN 0.728 nan 8.230 nan 0.000 0.403 211 H N 6.066 124.723 119.070 -0.689 0.000 2.761 211 H HA 0.331 4.887 4.556 0.000 0.000 0.284 211 H C -1.393 173.702 175.328 -0.388 0.000 1.105 211 H CA -0.497 55.308 56.048 -0.405 0.000 1.352 211 H CB 1.326 30.981 29.762 -0.178 0.000 1.423 211 H HN 0.613 nan 8.280 nan 0.000 0.464 212 L N 6.428 127.407 121.223 -0.405 0.000 2.288 212 L HA 0.436 4.776 4.340 0.000 0.000 0.283 212 L C 0.098 176.643 176.870 -0.541 0.000 1.072 212 L CA -0.349 54.258 54.840 -0.388 0.000 0.862 212 L CB 0.462 42.362 42.059 -0.264 0.000 1.245 212 L HN 0.715 nan 8.230 nan 0.000 0.432 213 G N 3.703 112.162 108.800 -0.569 0.000 2.395 213 G HA2 0.390 4.350 3.960 0.000 0.000 0.283 213 G HA3 0.390 4.350 3.960 0.000 0.000 0.283 213 G C -1.413 172.893 174.900 -0.991 0.000 1.178 213 G CA -0.202 44.491 45.100 -0.677 0.000 0.837 213 G HN 0.522 nan 8.290 nan 0.000 0.518 214 Y N 0.060 120.009 120.300 -0.585 0.000 2.485 214 Y HA 0.308 4.859 4.550 0.000 0.000 0.345 214 Y C 0.544 176.293 175.900 -0.252 0.000 0.998 214 Y CA -0.716 57.101 58.100 -0.471 0.000 1.059 214 Y CB 2.171 40.530 38.460 -0.169 0.000 1.234 214 Y HN 0.591 nan 8.280 nan 0.000 0.461 215 Y N 1.145 121.378 120.300 -0.111 0.000 2.365 215 Y HA 0.158 4.709 4.550 0.000 0.000 0.293 215 Y C 0.696 176.618 175.900 0.036 0.000 1.119 215 Y CA 0.754 58.840 58.100 -0.023 0.000 1.203 215 Y CB 0.238 38.562 38.460 -0.226 0.000 1.026 215 Y HN 0.374 nan 8.280 nan 0.000 0.549 216 R N 1.617 122.133 120.500 0.026 0.000 2.560 216 R HA 0.179 4.519 4.340 0.000 0.000 0.270 216 R C -2.039 174.200 176.300 -0.102 0.000 1.074 216 R CA -2.649 53.371 56.100 -0.133 0.000 1.140 216 R CB -1.083 29.139 30.300 -0.132 0.000 1.073 216 R HN 0.091 nan 8.270 nan 0.000 0.527 217 P HA -0.006 nan 4.420 nan 0.000 0.253 217 P C -0.061 177.153 177.300 -0.142 0.000 1.508 217 P CA -0.068 62.830 63.100 -0.336 0.000 0.883 217 P CB -0.181 31.000 31.700 -0.864 0.000 1.519 218 H N 3.196 122.068 119.070 -0.330 0.000 3.119 218 H HA -0.019 4.537 4.556 0.000 0.000 0.334 218 H C -1.739 173.250 175.328 -0.565 0.000 1.042 218 H CA -0.082 55.678 56.048 -0.481 0.000 1.354 218 H CB 0.339 29.483 29.762 -1.029 0.000 1.285 218 H HN 0.145 nan 8.280 nan 0.000 0.601 219 P HA 0.104 nan 4.420 nan 0.000 0.273 219 P C -2.717 174.296 177.300 -0.478 0.000 1.250 219 P CA -1.320 61.291 63.100 -0.817 0.000 0.793 219 P CB -0.403 30.585 31.700 -1.187 0.000 1.011 220 P HA 0.156 nan 4.420 nan 0.000 0.271 220 P C -0.515 176.634 177.300 -0.252 0.000 1.218 220 P CA 0.224 63.097 63.100 -0.378 0.000 0.780 220 P CB -0.049 31.588 31.700 -0.104 0.000 0.901 221 F N 2.002 121.952 119.950 -0.000 0.000 2.605 221 F HA 0.251 4.778 4.527 0.000 0.000 0.352 221 F C 0.180 176.114 175.800 0.223 0.000 1.236 221 F CA -0.306 57.756 58.000 0.104 0.000 1.267 221 F CB -0.037 39.050 39.000 0.144 0.000 1.632 221 F HN -0.064 nan 8.300 nan 0.000 0.639 222 V N 0.907 120.997 119.914 0.294 0.000 2.969 222 V HA 0.800 4.920 4.120 0.000 0.000 0.304 222 V C -0.628 175.595 176.094 0.216 0.000 1.192 222 V CA -1.157 61.311 62.300 0.279 0.000 0.962 222 V CB 1.620 33.630 31.823 0.310 0.000 1.045 222 V HN 0.435 nan 8.190 nan 0.000 0.428 223 A N 1.584 124.557 122.820 0.255 0.000 2.414 223 A HA 0.855 5.175 4.320 0.000 0.000 0.306 223 A C -0.082 177.672 177.584 0.282 0.000 1.054 223 A CA -0.525 51.663 52.037 0.252 0.000 0.724 223 A CB 1.713 20.888 19.000 0.291 0.000 1.267 223 A HN 0.787 nan 8.150 nan 0.000 0.418 224 S N 0.750 116.621 115.700 0.286 0.000 2.566 224 S HA 0.403 4.873 4.470 0.000 0.000 0.280 224 S C 0.887 175.693 174.600 0.344 0.000 1.343 224 S CA 0.237 58.604 58.200 0.278 0.000 1.036 224 S CB 0.571 63.936 63.200 0.275 0.000 0.866 224 S HN 1.447 nan 8.310 nan 0.000 0.526 225 A N 3.876 126.817 122.820 0.202 0.000 2.511 225 A HA 0.314 4.634 4.320 0.000 0.000 0.242 225 A C -1.187 176.483 177.584 0.143 0.000 1.069 225 A CA -0.888 51.294 52.037 0.243 0.000 0.763 225 A CB -0.114 18.953 19.000 0.112 0.000 1.001 225 A HN 0.652 nan 8.150 nan 0.000 0.498 226 P HA 0.056 nan 4.420 nan 0.000 0.261 226 P C 0.217 177.463 177.300 -0.090 0.000 1.268 226 P CA 0.567 63.634 63.100 -0.054 0.000 0.833 226 P CB 0.041 31.578 31.700 -0.272 0.000 1.231 227 Y N 0.739 121.125 120.300 0.143 0.000 2.421 227 Y HA -0.181 4.370 4.550 0.000 0.000 0.292 227 Y C 2.840 178.797 175.900 0.095 0.000 1.136 227 Y CA 1.571 59.713 58.100 0.071 0.000 1.255 227 Y CB -1.569 36.953 38.460 0.102 0.000 0.991 227 Y HN 0.272 nan 8.280 nan 0.000 0.552 228 H N -1.876 117.319 119.070 0.209 0.000 2.387 228 H HA -0.103 4.453 4.556 0.000 0.000 0.299 228 H C 2.072 177.472 175.328 0.119 0.000 1.099 228 H CA 1.393 57.541 56.048 0.167 0.000 1.315 228 H CB -0.305 29.546 29.762 0.149 0.000 1.380 228 H HN 0.213 nan 8.280 nan 0.000 0.513 229 A N 0.773 123.174 122.820 -0.698 0.000 2.115 229 A HA 0.184 4.504 4.320 0.000 0.000 0.211 229 A C 2.362 179.786 177.584 -0.267 0.000 1.169 229 A CA 0.382 52.129 52.037 -0.483 0.000 0.787 229 A CB -0.479 18.130 19.000 -0.651 0.000 0.858 229 A HN 0.490 nan 8.150 nan 0.000 0.474 230 M N -1.164 118.258 119.600 -0.296 0.000 2.146 230 M HA -0.186 4.294 4.480 0.000 0.000 0.256 230 M C -0.416 175.601 176.300 -0.472 0.000 1.075 230 M CA 1.622 56.661 55.300 -0.435 0.000 1.082 230 M CB -0.150 32.108 32.600 -0.571 0.000 1.355 230 M HN 0.381 nan 8.290 nan 0.000 0.402 231 Y N -0.206 120.093 120.300 -0.002 0.000 2.562 231 Y HA 0.465 5.015 4.550 0.000 0.000 0.343 231 Y C -0.690 175.216 175.900 0.009 0.000 1.025 231 Y CA -1.283 56.832 58.100 0.025 0.000 1.082 231 Y CB 1.162 39.666 38.460 0.073 0.000 1.264 231 Y HN -0.092 nan 8.280 nan 0.000 0.478 232 K N -0.180 120.332 120.400 0.187 0.000 2.207 232 K HA 0.736 5.056 4.320 0.000 0.000 0.255 232 K C 0.249 176.877 176.600 0.047 0.000 0.941 232 K CA -0.561 55.773 56.287 0.080 0.000 0.825 232 K CB 1.613 34.142 32.500 0.049 0.000 1.119 232 K HN 0.619 nan 8.250 nan 0.000 0.430 233 A N 1.813 124.644 122.820 0.018 0.000 2.014 233 A HA -0.170 4.150 4.320 0.000 0.000 0.218 233 A C 1.697 179.252 177.584 -0.049 0.000 1.163 233 A CA 1.374 53.400 52.037 -0.018 0.000 0.652 233 A CB -0.627 18.366 19.000 -0.013 0.000 0.808 233 A HN 0.945 nan 8.150 nan 0.000 0.449 234 E N -0.272 119.907 120.200 -0.035 0.000 2.274 234 E HA -0.141 4.209 4.350 0.000 0.000 0.194 234 E C 0.014 176.576 176.600 -0.064 0.000 0.996 234 E CA 1.139 57.511 56.400 -0.047 0.000 0.840 234 E CB -0.255 29.428 29.700 -0.029 0.000 0.772 234 E HN 0.568 nan 8.360 nan 0.000 0.491 235 D N 0.569 120.934 120.400 -0.059 0.000 2.388 235 D HA 0.117 4.757 4.640 0.000 0.000 0.221 235 D C 0.104 176.276 176.300 -0.213 0.000 1.133 235 D CA 0.048 54.001 54.000 -0.079 0.000 0.831 235 D CB 0.362 41.165 40.800 0.004 0.000 0.962 235 D HN 0.189 nan 8.370 nan 0.000 0.502 236 M N 1.703 121.137 119.600 -0.277 0.000 2.314 236 M HA 0.311 4.791 4.480 0.000 0.000 0.342 236 M C -2.288 173.705 176.300 -0.512 0.000 1.171 236 M CA -2.308 52.683 55.300 -0.514 0.000 1.098 236 M CB 0.595 33.000 32.600 -0.326 0.000 1.559 236 M HN -0.266 nan 8.290 nan 0.000 0.459 237 P HA 0.184 nan 4.420 nan 0.000 0.268 237 P C -0.790 176.341 177.300 -0.282 0.000 1.205 237 P CA -0.246 62.597 63.100 -0.428 0.000 0.771 237 P CB 0.187 31.637 31.700 -0.418 0.000 0.858 238 A N 5.281 127.975 122.820 -0.211 0.000 2.407 238 A HA 0.425 4.745 4.320 0.000 0.000 0.248 238 A C -1.974 175.499 177.584 -0.185 0.000 1.082 238 A CA -1.151 50.778 52.037 -0.179 0.000 0.785 238 A CB -1.308 17.601 19.000 -0.152 0.000 1.020 238 A HN 0.416 nan 8.150 nan 0.000 0.489 239 P HA 0.177 nan 4.420 nan 0.000 0.266 239 P C -0.805 176.358 177.300 -0.227 0.000 1.195 239 P CA 0.422 63.396 63.100 -0.209 0.000 0.768 239 P CB 0.226 31.794 31.700 -0.219 0.000 0.838 240 I N 4.443 124.852 120.570 -0.268 0.000 2.297 240 I HA 0.368 4.538 4.170 0.000 0.000 0.291 240 I C 0.848 176.822 176.117 -0.238 0.000 1.033 240 I CA -0.269 60.866 61.300 -0.276 0.000 1.253 240 I CB 0.283 38.007 38.000 -0.459 0.000 1.396 240 I HN 0.319 nan 8.210 nan 0.000 0.476 241 R N 4.530 124.968 120.500 -0.104 0.000 2.734 241 R HA 0.847 5.187 4.340 0.000 0.000 0.271 241 R C -0.776 175.546 176.300 0.036 0.000 1.021 241 R CA -1.047 55.039 56.100 -0.024 0.000 0.893 241 R CB 1.090 31.097 30.300 -0.489 0.000 1.244 241 R HN 0.461 nan 8.270 nan 0.000 0.464 242 A N 0.745 123.763 122.820 0.331 0.000 2.261 242 A HA 0.093 4.413 4.320 0.000 0.000 0.275 242 A C 0.904 178.569 177.584 0.135 0.000 1.246 242 A CA -0.064 52.047 52.037 0.124 0.000 0.810 242 A CB -0.035 19.134 19.000 0.281 0.000 1.168 242 A HN 0.869 nan 8.150 nan 0.000 0.506 243 E N 0.495 120.724 120.200 0.048 0.000 2.051 243 E HA -0.122 4.228 4.350 0.000 0.000 0.192 243 E C 0.163 176.820 176.600 0.095 0.000 0.991 243 E CA 1.584 58.003 56.400 0.031 0.000 0.799 243 E CB -0.220 29.479 29.700 -0.002 0.000 0.748 243 E HN 0.776 nan 8.360 nan 0.000 0.449 244 N N -2.423 116.317 118.700 0.067 0.000 3.020 244 N HA 0.124 4.864 4.740 0.000 0.000 0.248 244 N C -2.700 172.579 175.510 -0.384 0.000 1.480 244 N CA -1.293 51.752 53.050 -0.010 0.000 0.874 244 N CB 1.426 39.905 38.487 -0.012 0.000 1.433 244 N HN -0.382 nan 8.380 nan 0.000 0.530 245 P HA -0.153 nan 4.420 nan 0.000 0.215 245 P C 0.569 177.714 177.300 -0.258 0.000 1.163 245 P CA 1.763 64.541 63.100 -0.536 0.000 0.894 245 P CB 0.102 31.662 31.700 -0.234 0.000 0.791 246 D N -1.012 119.305 120.400 -0.138 0.000 2.117 246 D HA -0.128 4.512 4.640 0.000 0.000 0.197 246 D C 2.016 178.297 176.300 -0.031 0.000 0.987 246 D CA 1.581 55.543 54.000 -0.063 0.000 0.829 246 D CB -0.911 39.866 40.800 -0.039 0.000 0.961 246 D HN 0.057 nan 8.370 nan 0.000 0.460 247 A N 0.887 123.689 122.820 -0.031 0.000 1.892 247 A HA -0.274 4.046 4.320 0.000 0.000 0.218 247 A C 2.171 179.795 177.584 0.067 0.000 1.188 247 A CA 2.136 54.186 52.037 0.021 0.000 0.631 247 A CB -0.687 18.328 19.000 0.026 0.000 0.822 247 A HN 0.235 nan 8.150 nan 0.000 0.447 248 E N -0.598 119.634 120.200 0.053 0.000 2.107 248 E HA 0.014 4.364 4.350 0.000 0.000 0.191 248 E C 2.133 178.798 176.600 0.109 0.000 0.982 248 E CA 0.998 57.482 56.400 0.140 0.000 0.809 248 E CB -0.288 29.508 29.700 0.160 0.000 0.756 248 E HN 0.548 nan 8.360 nan 0.000 0.459 249 A N 0.977 123.822 122.820 0.042 0.000 1.908 249 A HA -0.161 4.159 4.320 0.000 0.000 0.218 249 A C 2.375 180.000 177.584 0.068 0.000 1.181 249 A CA 1.795 53.862 52.037 0.050 0.000 0.627 249 A CB -0.925 18.080 19.000 0.009 0.000 0.818 249 A HN 0.375 nan 8.150 nan 0.000 0.445 250 A N -0.908 121.947 122.820 0.057 0.000 2.178 250 A HA -0.185 4.135 4.320 0.000 0.000 0.218 250 A C 2.049 179.682 177.584 0.081 0.000 1.157 250 A CA 1.648 53.717 52.037 0.053 0.000 0.689 250 A CB -0.541 18.486 19.000 0.045 0.000 0.787 250 A HN 0.730 nan 8.150 nan 0.000 0.465 251 Q N -1.253 118.630 119.800 0.138 0.000 2.119 251 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 251 Q C 0.247 176.367 176.000 0.199 0.000 0.972 251 Q CA 1.221 57.137 55.803 0.189 0.000 0.847 251 Q CB 0.024 28.924 28.738 0.270 0.000 0.903 251 Q HN 0.772 nan 8.270 nan 0.000 0.433 252 H N -2.636 116.467 119.070 0.055 0.000 3.121 252 H HA 0.122 4.679 4.556 0.000 0.000 0.337 252 H C -2.493 172.819 175.328 -0.028 0.000 1.198 252 H CA -1.350 54.680 56.048 -0.030 0.000 1.274 252 H CB 2.070 31.816 29.762 -0.028 0.000 1.954 252 H HN -0.155 nan 8.280 nan 0.000 0.531 253 P HA -0.124 nan 4.420 nan 0.000 0.219 253 P C 1.517 178.802 177.300 -0.025 0.000 1.146 253 P CA 0.687 63.660 63.100 -0.211 0.000 0.808 253 P CB 0.357 31.850 31.700 -0.346 0.000 0.779 254 L N -1.718 119.594 121.223 0.148 0.000 2.095 254 L HA 0.019 4.359 4.340 0.000 0.000 0.204 254 L C 2.274 179.297 176.870 0.256 0.000 1.080 254 L CA 1.668 56.604 54.840 0.159 0.000 0.759 254 L CB -1.103 41.084 42.059 0.214 0.000 0.914 254 L HN -0.131 nan 8.230 nan 0.000 0.439 255 M N -0.253 119.547 119.600 0.334 0.000 2.108 255 M HA -0.245 4.235 4.480 0.000 0.000 0.261 255 M C 2.264 178.668 176.300 0.173 0.000 1.066 255 M CA 1.827 57.276 55.300 0.248 0.000 1.107 255 M CB -0.510 32.233 32.600 0.238 0.000 1.356 255 M HN 0.183 nan 8.290 nan 0.000 0.406 256 K N -1.428 119.050 120.400 0.129 0.000 2.020 256 K HA -0.293 4.028 4.320 0.000 0.000 0.212 256 K C 2.184 178.839 176.600 0.090 0.000 1.050 256 K CA 2.229 58.565 56.287 0.081 0.000 0.929 256 K CB -0.538 31.992 32.500 0.050 0.000 0.714 256 K HN 0.592 nan 8.250 nan 0.000 0.443 257 H N -0.612 118.463 119.070 0.008 0.000 2.319 257 H HA -0.201 4.356 4.556 0.000 0.000 0.297 257 H C 1.738 177.107 175.328 0.069 0.000 1.097 257 H CA 2.457 58.493 56.048 -0.020 0.000 1.285 257 H CB -0.350 29.228 29.762 -0.308 0.000 1.368 257 H HN 0.259 nan 8.280 nan 0.000 0.495 258 Y N -0.316 119.974 120.300 -0.018 0.000 2.263 258 Y HA -0.097 4.453 4.550 0.000 0.000 0.292 258 Y C 2.592 178.472 175.900 -0.033 0.000 1.130 258 Y CA 0.715 58.780 58.100 -0.059 0.000 1.179 258 Y CB -0.202 38.280 38.460 0.037 0.000 0.998 258 Y HN 0.272 nan 8.280 nan 0.000 0.532 259 I N 0.105 120.752 120.570 0.127 0.000 2.226 259 I HA -0.270 3.900 4.170 0.000 0.000 0.245 259 I C 1.385 177.500 176.117 -0.004 0.000 1.100 259 I CA 1.559 62.894 61.300 0.059 0.000 1.374 259 I CB -1.032 36.984 38.000 0.026 0.000 1.057 259 I HN 0.189 nan 8.210 nan 0.000 0.413 260 D N -0.746 119.623 120.400 -0.052 0.000 2.371 260 D HA -0.100 4.540 4.640 0.000 0.000 0.221 260 D C 1.619 177.653 176.300 -0.444 0.000 0.986 260 D CA 0.977 54.850 54.000 -0.212 0.000 0.899 260 D CB 0.038 40.705 40.800 -0.221 0.000 0.902 260 D HN 0.501 nan 8.370 nan 0.000 0.530 261 H N -1.715 117.288 119.070 -0.111 0.000 3.583 261 H HA 0.336 4.892 4.556 0.000 0.000 0.251 261 H C 0.321 175.673 175.328 0.039 0.000 1.060 261 H CA -0.414 55.587 56.048 -0.079 0.000 1.159 261 H CB 1.114 30.727 29.762 -0.249 0.000 1.496 261 H HN -0.056 nan 8.280 nan 0.000 0.540 262 I N 3.267 123.950 120.570 0.188 0.000 2.668 262 I HA -0.015 4.156 4.170 0.000 0.000 0.285 262 I C 0.049 176.284 176.117 0.198 0.000 1.168 262 I CA 0.292 61.730 61.300 0.229 0.000 1.424 262 I CB 0.254 38.380 38.000 0.210 0.000 1.377 262 I HN 0.091 nan 8.210 nan 0.000 0.560 263 R N 6.264 126.906 120.500 0.237 0.000 2.787 263 R HA 0.436 4.777 4.340 0.000 0.000 0.271 263 R C 0.688 177.163 176.300 0.291 0.000 0.993 263 R CA -0.857 55.368 56.100 0.208 0.000 0.993 263 R CB 0.918 31.315 30.300 0.162 0.000 1.155 263 R HN 0.542 nan 8.270 nan 0.000 0.486 264 R N 0.314 120.981 120.500 0.278 0.000 2.148 264 R HA -0.016 4.325 4.340 0.000 0.000 0.223 264 R C 1.940 178.463 176.300 0.372 0.000 1.088 264 R CA 1.379 57.719 56.100 0.399 0.000 0.985 264 R CB -0.232 30.307 30.300 0.398 0.000 0.880 264 R HN 0.807 nan 8.270 nan 0.000 0.451 265 G N 0.431 109.370 108.800 0.232 0.000 2.448 265 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 265 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 265 G C 1.178 176.100 174.900 0.036 0.000 1.127 265 G CA 0.595 45.784 45.100 0.148 0.000 0.766 265 G HN 0.220 nan 8.290 nan 0.000 0.552 266 S N -0.209 115.447 115.700 -0.073 0.000 2.603 266 S HA 0.168 4.638 4.470 0.000 0.000 0.229 266 S C 0.936 174.938 174.600 -0.998 0.000 0.972 266 S CA 0.438 58.357 58.200 -0.468 0.000 0.935 266 S CB -0.181 62.657 63.200 -0.604 0.000 0.769 266 S HN 0.441 nan 8.310 nan 0.000 0.536 267 F N -1.251 118.492 119.950 -0.346 0.000 2.897 267 F HA 0.404 4.931 4.527 0.000 0.000 0.364 267 F C -0.343 174.842 175.800 -1.024 0.000 0.940 267 F CA -0.660 56.842 58.000 -0.829 0.000 1.106 267 F CB 0.733 39.219 39.000 -0.857 0.000 1.034 267 F HN -0.002 nan 8.300 nan 0.000 0.583 268 F N -0.718 119.325 119.950 0.155 0.000 2.547 268 F HA 0.413 4.940 4.527 0.000 0.000 0.316 268 F C -0.063 175.851 175.800 0.190 0.000 1.121 268 F CA -1.486 56.620 58.000 0.177 0.000 0.911 268 F CB 0.531 39.652 39.000 0.202 0.000 1.179 268 F HN -0.215 nan 8.300 nan 0.000 0.443 269 H N 1.406 120.656 119.070 0.301 0.000 2.848 269 H HA 0.431 4.987 4.556 0.000 0.000 0.317 269 H C 1.049 176.513 175.328 0.226 0.000 1.046 269 H CA 0.997 57.196 56.048 0.252 0.000 1.470 269 H CB 0.731 30.687 29.762 0.323 0.000 1.483 269 H HN 0.861 nan 8.280 nan 0.000 0.548 270 G N 2.599 111.265 108.800 -0.224 0.000 2.205 270 G HA2 -0.257 3.703 3.960 0.000 0.000 0.261 270 G HA3 -0.257 3.703 3.960 0.000 0.000 0.261 270 G C 0.542 175.453 174.900 0.018 0.000 0.980 270 G CA 0.305 45.313 45.100 -0.154 0.000 0.632 270 G HN 0.966 nan 8.290 nan 0.000 0.533 271 A N -0.611 122.278 122.820 0.116 0.000 2.296 271 A HA 0.933 5.253 4.320 0.000 0.000 0.264 271 A C 0.484 178.146 177.584 0.131 0.000 1.097 271 A CA 1.650 53.773 52.037 0.144 0.000 0.811 271 A CB 0.656 19.799 19.000 0.237 0.000 1.072 271 A HN 2.126 nan 8.150 nan 0.000 0.495 272 E N -1.629 118.641 120.200 0.117 0.000 2.437 272 E HA 0.681 5.031 4.350 0.000 0.000 0.280 272 E C 0.072 176.730 176.600 0.097 0.000 1.044 272 E CA 0.088 56.553 56.400 0.108 0.000 0.826 272 E CB 0.668 30.414 29.700 0.076 0.000 1.358 272 E HN 2.727 nan 8.360 nan 0.000 0.459 273 G N -0.529 108.326 108.800 0.092 0.000 2.373 273 G HA2 0.444 4.405 3.960 0.000 0.000 0.634 273 G HA3 0.444 4.405 3.960 0.000 0.000 0.634 273 G C 0.104 175.062 174.900 0.097 0.000 1.267 273 G CA 0.270 45.418 45.100 0.079 0.000 1.008 273 G HN 1.677 nan 8.290 nan 0.000 0.497 274 S N -0.418 115.331 115.700 0.082 0.000 2.508 274 S HA 0.583 5.053 4.470 0.000 0.000 0.284 274 S C 1.729 176.392 174.600 0.105 0.000 1.192 274 S CA 0.792 59.040 58.200 0.080 0.000 1.070 274 S CB 1.042 64.269 63.200 0.044 0.000 1.004 274 S HN 2.074 nan 8.310 nan 0.000 0.493 275 G N 3.225 112.093 108.800 0.114 0.000 2.442 275 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 275 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 275 G C 1.485 176.427 174.900 0.070 0.000 1.141 275 G CA 0.864 46.021 45.100 0.094 0.000 0.763 275 G HN 0.959 nan 8.290 nan 0.000 0.554 276 A N 0.562 123.429 122.820 0.077 0.000 1.969 276 A HA 0.049 4.369 4.320 0.000 0.000 0.218 276 A C 2.427 180.089 177.584 0.130 0.000 1.169 276 A CA 2.226 54.330 52.037 0.112 0.000 0.635 276 A CB -0.714 18.328 19.000 0.071 0.000 0.810 276 A HN 0.558 nan 8.150 nan 0.000 0.445 277 T N -1.758 112.848 114.554 0.086 0.000 3.272 277 T HA 0.449 4.799 4.350 0.000 0.000 0.250 277 T C 0.310 175.047 174.700 0.060 0.000 1.082 277 T CA -0.334 61.809 62.100 0.072 0.000 0.968 277 T CB -0.720 68.176 68.868 0.046 0.000 1.015 277 T HN 0.213 nan 8.240 nan 0.000 0.563 278 L N 2.994 124.254 121.223 0.062 0.000 2.426 278 L HA 0.345 4.685 4.340 0.000 0.000 0.271 278 L C 0.589 177.467 176.870 0.014 0.000 1.169 278 L CA -0.744 54.118 54.840 0.037 0.000 0.836 278 L CB 0.382 42.470 42.059 0.048 0.000 1.112 278 L HN 0.434 nan 8.230 nan 0.000 0.465 279 D N 0.589 120.986 120.400 -0.005 0.000 2.354 279 D HA -0.010 4.630 4.640 0.000 0.000 0.247 279 D C 0.721 176.996 176.300 -0.041 0.000 1.138 279 D CA -0.561 53.428 54.000 -0.019 0.000 0.958 279 D CB 0.765 41.554 40.800 -0.018 0.000 1.144 279 D HN 0.599 nan 8.370 nan 0.000 0.458 280 E N 0.437 120.603 120.200 -0.057 0.000 2.160 280 E HA -0.172 4.178 4.350 0.000 0.000 0.195 280 E C 1.936 178.494 176.600 -0.070 0.000 0.991 280 E CA 1.370 57.723 56.400 -0.078 0.000 0.810 280 E CB -0.550 29.099 29.700 -0.085 0.000 0.742 280 E HN 0.692 nan 8.360 nan 0.000 0.466 281 G N 0.668 109.435 108.800 -0.055 0.000 2.421 281 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 281 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 281 G C 1.307 176.178 174.900 -0.048 0.000 1.171 281 G CA 0.974 46.045 45.100 -0.049 0.000 0.775 281 G HN 0.321 nan 8.290 nan 0.000 0.543 282 E N 0.084 120.255 120.200 -0.047 0.000 2.047 282 E HA -0.029 4.321 4.350 0.000 0.000 0.191 282 E C 2.533 179.112 176.600 -0.036 0.000 0.987 282 E CA 0.617 56.986 56.400 -0.053 0.000 0.799 282 E CB -0.185 29.477 29.700 -0.064 0.000 0.752 282 E HN 0.441 nan 8.360 nan 0.000 0.449 283 I N 0.941 121.488 120.570 -0.037 0.000 2.248 283 I HA -0.325 3.845 4.170 0.000 0.000 0.248 283 I C 2.485 178.557 176.117 -0.076 0.000 1.107 283 I CA 1.252 62.523 61.300 -0.048 0.000 1.373 283 I CB -0.308 37.638 38.000 -0.090 0.000 1.055 283 I HN 0.092 nan 8.210 nan 0.000 0.418 284 R N 0.026 120.478 120.500 -0.080 0.000 2.090 284 R HA -0.171 4.169 4.340 0.000 0.000 0.228 284 R C 2.299 178.566 176.300 -0.055 0.000 1.110 284 R CA 1.007 57.051 56.100 -0.093 0.000 0.973 284 R CB -0.268 29.972 30.300 -0.100 0.000 0.869 284 R HN 0.260 nan 8.270 nan 0.000 0.440 285 Q N 1.380 121.164 119.800 -0.028 0.000 2.030 285 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 285 Q C 2.016 178.039 176.000 0.039 0.000 0.986 285 Q CA 1.965 57.773 55.803 0.009 0.000 0.843 285 Q CB -0.341 28.399 28.738 0.004 0.000 0.904 285 Q HN 0.266 nan 8.270 nan 0.000 0.420 286 M N -0.314 119.315 119.600 0.048 0.000 2.089 286 M HA -0.311 4.169 4.480 0.000 0.000 0.257 286 M C 1.909 178.159 176.300 -0.082 0.000 1.071 286 M CA 2.057 57.405 55.300 0.080 0.000 1.096 286 M CB -0.159 32.518 32.600 0.128 0.000 1.330 286 M HN 0.182 nan 8.290 nan 0.000 0.403 287 R N 0.045 120.474 120.500 -0.118 0.000 2.096 287 R HA -0.093 4.248 4.340 0.000 0.000 0.235 287 R C 2.353 178.671 176.300 0.031 0.000 1.127 287 R CA 1.349 57.375 56.100 -0.125 0.000 0.968 287 R CB -0.613 29.613 30.300 -0.123 0.000 0.861 287 R HN 0.583 nan 8.270 nan 0.000 0.440 288 A N 0.735 123.582 122.820 0.045 0.000 1.877 288 A HA -0.169 4.152 4.320 0.000 0.000 0.216 288 A C 2.194 179.890 177.584 0.187 0.000 1.186 288 A CA 2.039 54.153 52.037 0.129 0.000 0.620 288 A CB -0.909 18.164 19.000 0.121 0.000 0.822 288 A HN 0.289 nan 8.150 nan 0.000 0.443 289 T N -1.415 113.235 114.554 0.161 0.000 2.684 289 T HA -0.236 4.114 4.350 0.000 0.000 0.267 289 T C 1.786 176.579 174.700 0.156 0.000 1.036 289 T CA 1.752 63.970 62.100 0.196 0.000 1.148 289 T CB -0.578 68.433 68.868 0.238 0.000 0.863 289 T HN 0.538 nan 8.240 nan 0.000 0.436 290 Y N 1.250 121.481 120.300 -0.115 0.000 2.081 290 Y HA -0.296 4.254 4.550 0.000 0.000 0.280 290 Y C 2.718 178.513 175.900 -0.176 0.000 1.163 290 Y CA 1.178 59.131 58.100 -0.245 0.000 1.135 290 Y CB -0.806 37.360 38.460 -0.490 0.000 0.970 290 Y HN 0.237 nan 8.280 nan 0.000 0.498 291 C N 0.226 119.593 119.300 0.110 0.000 2.413 291 C HA -0.164 4.297 4.460 0.000 0.000 0.276 291 C C 2.982 178.007 174.990 0.059 0.000 1.248 291 C CA 1.177 60.164 59.018 -0.051 0.000 1.742 291 C CB -1.860 25.700 27.740 -0.300 0.000 2.017 291 C HN 0.851 nan 8.230 nan 0.000 0.481 292 G N 0.774 109.752 108.800 0.295 0.000 2.514 292 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 292 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 292 G C 1.506 176.451 174.900 0.075 0.000 1.198 292 G CA 0.979 46.304 45.100 0.374 0.000 0.780 292 G HN 0.538 nan 8.290 nan 0.000 0.565 293 L N 0.152 121.332 121.223 -0.072 0.000 2.042 293 L HA -0.089 4.251 4.340 0.000 0.000 0.210 293 L C 2.896 179.552 176.870 -0.358 0.000 1.076 293 L CA 0.701 55.394 54.840 -0.244 0.000 0.749 293 L CB -0.415 41.516 42.059 -0.214 0.000 0.893 293 L HN 0.215 nan 8.230 nan 0.000 0.432 294 I N -0.497 119.802 120.570 -0.452 0.000 2.127 294 I HA -0.335 3.835 4.170 0.000 0.000 0.241 294 I C 2.572 178.513 176.117 -0.293 0.000 1.075 294 I CA 1.861 62.792 61.300 -0.615 0.000 1.334 294 I CB -0.440 37.028 38.000 -0.886 0.000 1.040 294 I HN 0.284 nan 8.210 nan 0.000 0.405 295 T N -0.151 114.354 114.554 -0.082 0.000 2.720 295 T HA -0.271 4.079 4.350 0.000 0.000 0.268 295 T C 1.779 176.468 174.700 -0.019 0.000 1.037 295 T CA 1.762 63.916 62.100 0.088 0.000 1.144 295 T CB -0.305 68.783 68.868 0.366 0.000 0.864 295 T HN 0.441 nan 8.240 nan 0.000 0.444 296 E N 0.510 120.489 120.200 -0.368 0.000 2.085 296 E HA -0.155 4.195 4.350 0.000 0.000 0.194 296 E C 2.128 178.539 176.600 -0.315 0.000 0.994 296 E CA 1.167 57.141 56.400 -0.710 0.000 0.801 296 E CB -0.286 28.643 29.700 -1.284 0.000 0.743 296 E HN 0.522 nan 8.360 nan 0.000 0.453 297 I N 1.470 121.863 120.570 -0.295 0.000 2.208 297 I HA -0.281 3.889 4.170 0.000 0.000 0.245 297 I C 2.562 178.544 176.117 -0.225 0.000 1.097 297 I CA 1.510 62.611 61.300 -0.331 0.000 1.363 297 I CB -0.424 37.402 38.000 -0.290 0.000 1.051 297 I HN 0.263 nan 8.210 nan 0.000 0.413 298 D N 0.958 121.303 120.400 -0.092 0.000 2.104 298 D HA -0.226 4.414 4.640 0.000 0.000 0.194 298 D C 1.596 177.848 176.300 -0.079 0.000 0.994 298 D CA 1.566 55.532 54.000 -0.057 0.000 0.830 298 D CB -0.031 40.783 40.800 0.022 0.000 0.959 298 D HN 0.279 nan 8.370 nan 0.000 0.452 299 D N 0.063 120.451 120.400 -0.019 0.000 2.133 299 D HA -0.150 4.490 4.640 0.000 0.000 0.195 299 D C 2.297 178.576 176.300 -0.035 0.000 0.997 299 D CA 0.621 54.630 54.000 0.015 0.000 0.840 299 D CB -0.661 40.214 40.800 0.125 0.000 0.947 299 D HN 0.309 nan 8.370 nan 0.000 0.452 300 C N 0.247 119.506 119.300 -0.069 0.000 2.429 300 C HA -0.047 4.413 4.460 0.000 0.000 0.277 300 C C 2.914 177.838 174.990 -0.109 0.000 1.262 300 C CA 0.153 59.144 59.018 -0.045 0.000 1.733 300 C CB -1.027 26.706 27.740 -0.011 0.000 2.010 300 C HN 0.352 nan 8.230 nan 0.000 0.483 301 L N 0.735 121.803 121.223 -0.258 0.000 2.093 301 L HA -0.002 4.339 4.340 0.000 0.000 0.208 301 L C 2.826 179.238 176.870 -0.762 0.000 1.085 301 L CA 1.481 55.986 54.840 -0.559 0.000 0.755 301 L CB -1.212 40.410 42.059 -0.728 0.000 0.904 301 L HN 0.485 nan 8.230 nan 0.000 0.435 302 G N 0.476 109.028 108.800 -0.414 0.000 2.556 302 G HA2 -0.328 3.632 3.960 0.000 0.000 0.220 302 G HA3 -0.328 3.632 3.960 0.000 0.000 0.220 302 G C 1.718 176.582 174.900 -0.060 0.000 1.156 302 G CA 1.084 46.088 45.100 -0.160 0.000 0.766 302 G HN 0.333 nan 8.290 nan 0.000 0.583 303 R N -0.316 120.157 120.500 -0.046 0.000 2.073 303 R HA -0.016 4.324 4.340 0.000 0.000 0.234 303 R C 2.697 179.045 176.300 0.079 0.000 1.134 303 R CA 1.322 57.441 56.100 0.030 0.000 0.952 303 R CB -0.628 29.693 30.300 0.035 0.000 0.850 303 R HN 0.343 nan 8.270 nan 0.000 0.433 304 V N 0.699 120.633 119.914 0.034 0.000 2.427 304 V HA -0.204 3.916 4.120 0.000 0.000 0.248 304 V C 2.053 178.367 176.094 0.366 0.000 1.051 304 V CA 1.556 63.945 62.300 0.148 0.000 1.048 304 V CB -0.564 31.322 31.823 0.104 0.000 0.666 304 V HN 0.114 nan 8.190 nan 0.000 0.456 305 F N 1.176 121.246 119.950 0.202 0.000 2.113 305 F HA -0.027 4.500 4.527 0.000 0.000 0.297 305 F C 2.574 178.435 175.800 0.102 0.000 1.103 305 F CA 0.687 58.819 58.000 0.219 0.000 1.248 305 F CB -1.732 37.327 39.000 0.098 0.000 0.999 305 F HN 0.125 nan 8.300 nan 0.000 0.475 306 A N -0.312 122.654 122.820 0.243 0.000 1.915 306 A HA -0.338 3.982 4.320 0.000 0.000 0.220 306 A C 2.203 179.888 177.584 0.169 0.000 1.198 306 A CA 2.162 54.281 52.037 0.136 0.000 0.647 306 A CB -1.783 17.282 19.000 0.108 0.000 0.825 306 A HN 0.468 nan 8.150 nan 0.000 0.456 307 Y N 0.264 120.638 120.300 0.123 0.000 2.224 307 Y HA -0.107 4.444 4.550 0.000 0.000 0.289 307 Y C 1.987 177.977 175.900 0.151 0.000 1.146 307 Y CA 1.593 59.759 58.100 0.111 0.000 1.182 307 Y CB -0.226 38.288 38.460 0.090 0.000 0.983 307 Y HN 0.236 nan 8.280 nan 0.000 0.524 308 L N -0.351 121.006 121.223 0.224 0.000 2.046 308 L HA -0.237 4.103 4.340 0.000 0.000 0.208 308 L C 2.142 179.085 176.870 0.122 0.000 1.077 308 L CA 1.554 56.529 54.840 0.224 0.000 0.747 308 L CB -0.628 41.731 42.059 0.500 0.000 0.896 308 L HN 0.212 nan 8.230 nan 0.000 0.432 309 D N 0.183 120.637 120.400 0.089 0.000 2.092 309 D HA -0.205 4.435 4.640 0.000 0.000 0.193 309 D C 2.030 178.305 176.300 -0.042 0.000 0.994 309 D CA 1.326 55.322 54.000 -0.006 0.000 0.828 309 D CB -0.152 40.587 40.800 -0.100 0.000 0.963 309 D HN 0.381 nan 8.370 nan 0.000 0.450 310 E N -0.210 119.941 120.200 -0.082 0.000 2.097 310 E HA -0.161 4.189 4.350 0.000 0.000 0.196 310 E C 1.816 178.328 176.600 -0.147 0.000 1.000 310 E CA 1.771 58.105 56.400 -0.109 0.000 0.804 310 E CB -0.093 29.535 29.700 -0.119 0.000 0.740 310 E HN 0.361 nan 8.360 nan 0.000 0.454 311 T N -3.144 111.259 114.554 -0.252 0.000 3.122 311 T HA 0.324 4.674 4.350 0.000 0.000 0.250 311 T C 1.301 175.962 174.700 -0.064 0.000 1.067 311 T CA 0.172 62.144 62.100 -0.215 0.000 0.966 311 T CB 0.692 69.302 68.868 -0.430 0.000 1.002 311 T HN 0.288 nan 8.240 nan 0.000 0.542 312 G N 1.460 110.249 108.800 -0.019 0.000 2.160 312 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 312 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 312 G C 0.490 175.439 174.900 0.082 0.000 1.008 312 G CA 0.445 45.567 45.100 0.036 0.000 0.724 312 G HN 0.571 nan 8.290 nan 0.000 0.514 313 Q N -1.648 118.222 119.800 0.116 0.000 2.352 313 Q HA 0.144 4.484 4.340 0.000 0.000 0.212 313 Q C 1.990 178.104 176.000 0.190 0.000 0.888 313 Q CA -0.106 55.790 55.803 0.156 0.000 0.934 313 Q CB 0.048 28.914 28.738 0.213 0.000 1.093 313 Q HN 0.721 nan 8.270 nan 0.000 0.523 314 W N 1.854 123.170 121.300 0.027 0.000 2.338 314 W HA -0.209 4.451 4.660 0.000 0.000 0.304 314 W C 0.242 176.757 176.519 -0.007 0.000 1.212 314 W CA 1.474 58.819 57.345 0.001 0.000 1.264 314 W CB 0.189 29.629 29.460 -0.032 0.000 1.142 314 W HN 0.117 nan 8.180 nan 0.000 0.512 315 D N 0.111 120.592 120.400 0.136 0.000 2.363 315 D HA -0.080 4.561 4.640 0.000 0.000 0.220 315 D C 0.824 177.122 176.300 -0.005 0.000 0.994 315 D CA 0.991 55.014 54.000 0.039 0.000 0.890 315 D CB -0.274 40.599 40.800 0.123 0.000 0.906 315 D HN 0.174 nan 8.370 nan 0.000 0.530 316 D N -0.632 119.770 120.400 0.004 0.000 2.369 316 D HA 0.038 4.678 4.640 0.000 0.000 0.211 316 D C -0.078 176.247 176.300 0.042 0.000 1.077 316 D CA 0.353 54.373 54.000 0.033 0.000 0.842 316 D CB 0.603 41.423 40.800 0.033 0.000 0.947 316 D HN -0.074 nan 8.370 nan 0.000 0.509 317 T N 1.463 115.959 114.554 -0.096 0.000 2.809 317 T HA 0.300 4.650 4.350 0.000 0.000 0.296 317 T C -0.189 174.309 174.700 -0.336 0.000 1.015 317 T CA -0.634 61.351 62.100 -0.193 0.000 0.954 317 T CB 1.539 70.299 68.868 -0.181 0.000 0.950 317 T HN -0.080 nan 8.240 nan 0.000 0.450 318 L N 6.078 127.018 121.223 -0.472 0.000 2.433 318 L HA 0.432 4.772 4.340 0.000 0.000 0.275 318 L C -0.720 175.833 176.870 -0.529 0.000 1.128 318 L CA 0.357 54.718 54.840 -0.798 0.000 0.875 318 L CB -0.216 40.755 42.059 -1.813 0.000 1.171 318 L HN 0.580 nan 8.230 nan 0.000 0.463 319 I N 7.045 127.341 120.570 -0.458 0.000 2.362 319 I HA 0.345 4.515 4.170 0.000 0.000 0.289 319 I C -0.500 175.462 176.117 -0.258 0.000 0.994 319 I CA -0.442 60.663 61.300 -0.326 0.000 1.158 319 I CB 1.359 39.124 38.000 -0.391 0.000 1.315 319 I HN 0.531 nan 8.210 nan 0.000 0.451 320 I N 6.455 126.908 120.570 -0.196 0.000 2.389 320 I HA 0.315 4.485 4.170 0.000 0.000 0.288 320 I C -0.822 175.233 176.117 -0.103 0.000 0.999 320 I CA -0.557 60.637 61.300 -0.178 0.000 1.129 320 I CB 1.809 39.675 38.000 -0.224 0.000 1.288 320 I HN 0.397 nan 8.210 nan 0.000 0.444 321 F N 6.433 126.240 119.950 -0.237 0.000 2.427 321 F HA 0.706 5.233 4.527 0.000 0.000 0.346 321 F C -0.019 175.595 175.800 -0.310 0.000 1.120 321 F CA 0.138 57.985 58.000 -0.255 0.000 1.033 321 F CB 1.459 40.315 39.000 -0.240 0.000 1.126 321 F HN 0.437 nan 8.300 nan 0.000 0.462 322 T N 3.139 117.129 114.554 -0.939 0.000 2.711 322 T HA 0.511 4.861 4.350 0.000 0.000 0.302 322 T C -1.782 172.478 174.700 -0.734 0.000 1.373 322 T CA -0.567 61.123 62.100 -0.682 0.000 1.000 322 T CB 1.517 70.159 68.868 -0.378 0.000 1.483 322 T HN 0.650 nan 8.240 nan 0.000 0.499 323 S N -0.112 115.326 115.700 -0.436 0.000 2.548 323 S HA 0.455 4.926 4.470 0.000 0.000 0.286 323 S C 0.578 175.038 174.600 -0.233 0.000 1.098 323 S CA -0.207 57.785 58.200 -0.346 0.000 0.930 323 S CB 1.479 64.532 63.200 -0.244 0.000 1.070 323 S HN 0.832 nan 8.310 nan 0.000 0.480 324 D N 2.270 122.509 120.400 -0.268 0.000 2.144 324 D HA -0.019 4.621 4.640 0.000 0.000 0.199 324 D C 0.568 176.820 176.300 -0.080 0.000 0.984 324 D CA 1.783 55.684 54.000 -0.165 0.000 0.834 324 D CB -0.442 40.292 40.800 -0.111 0.000 0.955 324 D HN 0.811 nan 8.370 nan 0.000 0.465 325 H N -4.005 115.046 119.070 -0.032 0.000 2.948 325 H HA 0.660 5.216 4.556 0.000 0.000 0.315 325 H C 0.372 175.669 175.328 -0.052 0.000 1.360 325 H CA -0.812 55.191 56.048 -0.074 0.000 1.125 325 H CB 0.989 30.680 29.762 -0.119 0.000 1.844 325 H HN 0.044 nan 8.280 nan 0.000 0.529 326 G N -0.928 107.945 108.800 0.122 0.000 2.666 326 G HA2 0.481 4.441 3.960 0.000 0.000 0.207 326 G HA3 0.481 4.441 3.960 0.000 0.000 0.207 326 G C -0.842 174.124 174.900 0.111 0.000 1.481 326 G CA -0.046 45.106 45.100 0.087 0.000 1.071 326 G HN 0.890 nan 8.290 nan 0.000 0.572 327 E N -2.482 117.713 120.200 -0.007 0.000 2.649 327 E HA 0.144 4.494 4.350 0.000 0.000 0.308 327 E C 0.478 176.987 176.600 -0.151 0.000 1.017 327 E CA -0.488 55.879 56.400 -0.054 0.000 0.848 327 E CB 0.720 30.439 29.700 0.031 0.000 1.240 327 E HN 0.196 nan 8.360 nan 0.000 0.421 328 Q N 2.337 122.028 119.800 -0.181 0.000 2.079 328 Q HA 0.055 4.395 4.340 0.000 0.000 0.200 328 Q C 0.691 176.546 176.000 -0.241 0.000 0.974 328 Q CA 1.162 56.852 55.803 -0.188 0.000 0.840 328 Q CB -0.062 28.565 28.738 -0.185 0.000 0.898 328 Q HN 0.698 nan 8.270 nan 0.000 0.430 329 L N -0.883 120.151 121.223 -0.314 0.000 4.089 329 L HA -0.243 4.097 4.340 0.000 0.000 0.408 329 L C 0.738 177.438 176.870 -0.283 0.000 1.184 329 L CA 1.440 56.046 54.840 -0.391 0.000 0.947 329 L CB -1.579 40.169 42.059 -0.519 0.000 2.066 329 L HN 0.510 nan 8.230 nan 0.000 0.851 330 G N -2.150 106.506 108.800 -0.240 0.000 2.217 330 G HA2 -0.250 3.711 3.960 0.000 0.000 0.246 330 G HA3 -0.250 3.711 3.960 0.000 0.000 0.246 330 G C 0.177 174.961 174.900 -0.195 0.000 0.990 330 G CA 0.086 45.072 45.100 -0.191 0.000 0.627 330 G HN 0.515 nan 8.290 nan 0.000 0.522 331 D N 1.285 121.568 120.400 -0.195 0.000 2.533 331 D HA 0.283 4.924 4.640 0.000 0.000 0.236 331 D C 1.243 177.477 176.300 -0.110 0.000 1.137 331 D CA 0.661 54.532 54.000 -0.215 0.000 0.867 331 D CB -0.050 40.640 40.800 -0.183 0.000 1.170 331 D HN 0.463 nan 8.370 nan 0.000 0.474 332 H N 2.026 121.048 119.070 -0.080 0.000 2.921 332 H HA -0.229 4.328 4.556 0.000 0.000 0.281 332 H C 0.272 175.697 175.328 0.161 0.000 1.165 332 H CA 1.232 57.307 56.048 0.045 0.000 1.151 332 H CB -1.669 28.062 29.762 -0.052 0.000 1.311 332 H HN 0.761 nan 8.280 nan 0.000 0.361 333 H N -3.398 115.691 119.070 0.032 0.000 3.211 333 H HA -0.153 4.403 4.556 0.000 0.000 0.240 333 H C 0.424 175.738 175.328 -0.024 0.000 1.148 333 H CA 1.102 57.154 56.048 0.005 0.000 1.160 333 H CB -1.315 28.468 29.762 0.036 0.000 1.232 333 H HN 0.368 nan 8.280 nan 0.000 0.321 334 L N 0.657 121.902 121.223 0.036 0.000 2.334 334 L HA 0.472 4.812 4.340 0.000 0.000 0.275 334 L C -0.043 176.710 176.870 -0.194 0.000 1.036 334 L CA -1.048 53.755 54.840 -0.061 0.000 0.807 334 L CB 1.119 43.124 42.059 -0.090 0.000 1.231 334 L HN -0.082 nan 8.230 nan 0.000 0.438 335 L N 1.738 122.772 121.223 -0.314 0.000 2.346 335 L HA 0.896 5.236 4.340 0.000 0.000 0.276 335 L C 0.396 176.954 176.870 -0.520 0.000 1.006 335 L CA 0.015 54.437 54.840 -0.696 0.000 0.817 335 L CB 1.224 42.482 42.059 -1.335 0.000 1.272 335 L HN 0.819 nan 8.230 nan 0.000 0.421 336 G N 2.422 111.024 108.800 -0.330 0.000 2.447 336 G HA2 0.017 3.977 3.960 0.000 0.000 0.220 336 G HA3 0.017 3.977 3.960 0.000 0.000 0.220 336 G C -1.151 173.677 174.900 -0.120 0.000 1.261 336 G CA -0.444 44.720 45.100 0.107 0.000 1.000 336 G HN 0.696 nan 8.290 nan 0.000 0.515 337 K N 0.447 120.724 120.400 -0.204 0.000 2.592 337 K HA 0.606 4.926 4.320 0.000 0.000 0.212 337 K C -0.122 176.195 176.600 -0.471 0.000 1.013 337 K CA -0.486 55.573 56.287 -0.380 0.000 1.034 337 K CB 1.383 33.569 32.500 -0.523 0.000 1.292 337 K HN 1.555 nan 8.250 nan 0.000 0.521 338 I N -2.575 117.633 120.570 -0.604 0.000 3.191 338 I HA 0.780 4.950 4.170 0.000 0.000 0.313 338 I C 0.315 175.852 176.117 -0.967 0.000 1.193 338 I CA 0.138 60.883 61.300 -0.924 0.000 0.968 338 I CB 1.129 38.446 38.000 -1.138 0.000 1.262 338 I HN 0.683 nan 8.210 nan 0.000 0.456 339 G N 2.719 110.768 108.800 -1.253 0.000 2.509 339 G HA2 -0.330 3.630 3.960 0.000 0.000 0.259 339 G HA3 -0.330 3.630 3.960 0.000 0.000 0.259 339 G C -0.169 174.617 174.900 -0.190 0.000 1.169 339 G CA 1.287 46.053 45.100 -0.557 0.000 0.953 339 G HN 1.547 nan 8.290 nan 0.000 0.563 340 Y N -0.817 119.498 120.300 0.024 0.000 2.476 340 Y HA 0.481 5.031 4.550 0.000 0.000 0.261 340 Y C 0.831 176.788 175.900 0.094 0.000 1.077 340 Y CA -0.235 57.910 58.100 0.076 0.000 1.240 340 Y CB -0.460 37.980 38.460 -0.034 0.000 1.317 340 Y HN 0.445 nan 8.280 nan 0.000 0.540 341 N N 1.626 120.226 118.700 -0.167 0.000 2.412 341 N HA 0.244 4.984 4.740 0.000 0.000 0.254 341 N C 1.256 176.813 175.510 0.078 0.000 1.232 341 N CA 0.564 53.548 53.050 -0.109 0.000 0.880 341 N CB 1.136 39.461 38.487 -0.269 0.000 1.076 341 N HN 0.467 nan 8.380 nan 0.000 0.458 342 A N 2.648 125.503 122.820 0.059 0.000 1.978 342 A HA -0.225 4.095 4.320 0.000 0.000 0.220 342 A C 1.838 179.452 177.584 0.050 0.000 1.170 342 A CA 1.305 53.375 52.037 0.055 0.000 0.636 342 A CB -0.422 18.597 19.000 0.032 0.000 0.810 342 A HN 0.859 nan 8.150 nan 0.000 0.448 343 E N 0.182 120.404 120.200 0.036 0.000 2.333 343 E HA -0.110 4.240 4.350 0.000 0.000 0.198 343 E C 1.606 178.180 176.600 -0.044 0.000 1.007 343 E CA 1.308 57.714 56.400 0.010 0.000 0.845 343 E CB -0.658 29.039 29.700 -0.004 0.000 0.766 343 E HN 0.463 nan 8.360 nan 0.000 0.507 344 S N -0.342 115.305 115.700 -0.089 0.000 2.461 344 S HA 0.107 4.577 4.470 0.000 0.000 0.228 344 S C 1.140 175.490 174.600 -0.417 0.000 1.005 344 S CA 0.490 58.508 58.200 -0.302 0.000 0.942 344 S CB -0.131 62.753 63.200 -0.527 0.000 0.776 344 S HN 0.271 nan 8.310 nan 0.000 0.514 345 F N 0.785 120.594 119.950 -0.235 0.000 2.592 345 F HA 0.311 4.838 4.527 0.000 0.000 0.280 345 F C 0.983 176.631 175.800 -0.254 0.000 1.083 345 F CA -0.347 57.449 58.000 -0.339 0.000 1.365 345 F CB 0.153 38.655 39.000 -0.831 0.000 1.100 345 F HN -0.263 nan 8.300 nan 0.000 0.633 346 R N 2.680 123.173 120.500 -0.011 0.000 2.421 346 R HA 0.337 4.677 4.340 0.000 0.000 0.305 346 R C -0.444 175.895 176.300 0.066 0.000 1.039 346 R CA 0.127 56.242 56.100 0.025 0.000 1.003 346 R CB -0.073 30.261 30.300 0.057 0.000 0.959 346 R HN 0.297 nan 8.270 nan 0.000 0.427 347 I N 0.375 120.996 120.570 0.085 0.000 3.108 347 I HA 0.643 4.813 4.170 0.000 0.000 0.312 347 I C -2.656 173.548 176.117 0.145 0.000 1.095 347 I CA -3.530 57.830 61.300 0.100 0.000 1.000 347 I CB 2.323 40.357 38.000 0.056 0.000 1.229 347 I HN 0.272 nan 8.210 nan 0.000 0.454 348 P HA 0.503 nan 4.420 nan 0.000 0.279 348 P C -1.298 175.952 177.300 -0.085 0.000 1.252 348 P CA -0.377 62.734 63.100 0.018 0.000 0.811 348 P CB 1.126 32.789 31.700 -0.060 0.000 1.035 349 L N 2.448 123.600 121.223 -0.117 0.000 2.543 349 L HA 0.501 4.841 4.340 0.000 0.000 0.265 349 L C -1.680 175.139 176.870 -0.086 0.000 0.945 349 L CA -0.491 54.162 54.840 -0.312 0.000 0.869 349 L CB 1.951 43.479 42.059 -0.885 0.000 1.294 349 L HN 0.073 nan 8.230 nan 0.000 0.405 350 V N 6.066 125.952 119.914 -0.046 0.000 2.623 350 V HA 0.580 4.700 4.120 0.000 0.000 0.304 350 V C -0.409 175.654 176.094 -0.052 0.000 1.054 350 V CA -0.459 61.846 62.300 0.008 0.000 0.882 350 V CB 1.924 33.730 31.823 -0.028 0.000 1.002 350 V HN 0.600 nan 8.190 nan 0.000 0.424 351 I N 4.205 124.759 120.570 -0.026 0.000 2.418 351 I HA 0.490 4.661 4.170 0.000 0.000 0.287 351 I C -0.234 175.815 176.117 -0.113 0.000 1.008 351 I CA -0.566 60.670 61.300 -0.107 0.000 1.104 351 I CB 1.880 39.826 38.000 -0.090 0.000 1.264 351 I HN 0.522 nan 8.210 nan 0.000 0.438 352 K N 6.029 126.308 120.400 -0.202 0.000 2.293 352 K HA 0.230 4.550 4.320 0.000 0.000 0.267 352 K C -0.658 175.780 176.600 -0.270 0.000 1.010 352 K CA -0.486 55.668 56.287 -0.221 0.000 0.875 352 K CB 1.274 33.585 32.500 -0.314 0.000 1.106 352 K HN 0.546 nan 8.250 nan 0.000 0.450 353 D N 2.434 122.743 120.400 -0.151 0.000 2.414 353 D HA 0.201 4.841 4.640 0.000 0.000 0.259 353 D C -0.227 176.045 176.300 -0.046 0.000 1.269 353 D CA -0.101 53.858 54.000 -0.069 0.000 1.028 353 D CB 1.119 41.974 40.800 0.092 0.000 1.093 353 D HN 0.657 nan 8.370 nan 0.000 0.545 354 A N -0.702 122.218 122.820 0.165 0.000 2.327 354 A HA 0.539 4.859 4.320 0.000 0.000 0.255 354 A C 1.050 178.667 177.584 0.054 0.000 1.099 354 A CA 0.506 52.612 52.037 0.115 0.000 0.801 354 A CB -0.541 18.599 19.000 0.233 0.000 1.062 354 A HN 0.847 nan 8.150 nan 0.000 0.496 355 G N -0.333 108.487 108.800 0.033 0.000 2.578 355 G HA2 -0.171 3.789 3.960 0.000 0.000 0.284 355 G HA3 -0.171 3.789 3.960 0.000 0.000 0.284 355 G C -0.096 174.826 174.900 0.037 0.000 1.283 355 G CA 0.296 45.419 45.100 0.038 0.000 0.944 355 G HN 0.949 nan 8.290 nan 0.000 0.558 356 Q N 1.364 121.186 119.800 0.036 0.000 2.288 356 Q HA 0.230 4.570 4.340 0.000 0.000 0.258 356 Q C 0.596 176.610 176.000 0.024 0.000 0.957 356 Q CA -0.067 55.755 55.803 0.032 0.000 0.919 356 Q CB 0.482 29.234 28.738 0.023 0.000 1.185 356 Q HN 0.553 nan 8.270 nan 0.000 0.408 357 N N 1.904 120.619 118.700 0.024 0.000 2.458 357 N HA 0.043 4.784 4.740 0.000 0.000 0.270 357 N C 1.031 176.543 175.510 0.004 0.000 1.102 357 N CA -0.148 52.920 53.050 0.030 0.000 0.967 357 N CB 1.131 39.638 38.487 0.034 0.000 1.078 357 N HN 0.413 nan 8.380 nan 0.000 0.471 358 R N 1.974 122.464 120.500 -0.017 0.000 2.152 358 R HA -0.110 4.230 4.340 0.000 0.000 0.232 358 R C 0.341 176.469 176.300 -0.286 0.000 1.117 358 R CA 1.290 57.294 56.100 -0.160 0.000 0.981 358 R CB 0.097 30.268 30.300 -0.215 0.000 0.870 358 R HN 0.673 nan 8.270 nan 0.000 0.451 359 H N -0.582 118.483 119.070 -0.009 0.000 2.475 359 H HA 0.261 4.817 4.556 0.000 0.000 0.276 359 H C -0.256 175.058 175.328 -0.023 0.000 1.126 359 H CA 0.049 56.084 56.048 -0.021 0.000 1.023 359 H CB 0.596 30.337 29.762 -0.035 0.000 1.669 359 H HN 0.197 nan 8.280 nan 0.000 0.573 360 A N 0.549 123.404 122.820 0.058 0.000 2.584 360 A HA 0.275 4.595 4.320 0.000 0.000 0.239 360 A C 1.639 179.248 177.584 0.042 0.000 1.043 360 A CA 1.178 53.236 52.037 0.035 0.000 0.756 360 A CB -0.345 18.668 19.000 0.022 0.000 0.963 360 A HN 0.694 nan 8.150 nan 0.000 0.511 361 G N 1.378 110.196 108.800 0.030 0.000 2.245 361 G HA2 -0.285 3.675 3.960 0.000 0.000 0.264 361 G HA3 -0.285 3.675 3.960 0.000 0.000 0.264 361 G C 0.372 175.381 174.900 0.183 0.000 0.985 361 G CA 0.869 46.034 45.100 0.108 0.000 0.625 361 G HN 1.011 nan 8.290 nan 0.000 0.536 362 Q N -0.490 119.366 119.800 0.092 0.000 2.471 362 Q HA 0.652 4.992 4.340 0.000 0.000 0.223 362 Q C 0.199 176.213 176.000 0.024 0.000 1.045 362 Q CA 0.025 55.864 55.803 0.060 0.000 0.956 362 Q CB 1.061 29.833 28.738 0.056 0.000 1.249 362 Q HN 0.434 nan 8.270 nan 0.000 0.549 363 I N 1.712 122.268 120.570 -0.023 0.000 2.466 363 I HA 0.134 4.304 4.170 0.000 0.000 0.279 363 I C -0.530 175.490 176.117 -0.161 0.000 1.033 363 I CA -0.663 60.598 61.300 -0.065 0.000 1.123 363 I CB 1.577 39.572 38.000 -0.007 0.000 1.237 363 I HN 0.549 nan 8.210 nan 0.000 0.460 364 E N 4.430 124.425 120.200 -0.341 0.000 2.384 364 E HA -0.014 4.336 4.350 0.000 0.000 0.266 364 E C 0.432 176.865 176.600 -0.278 0.000 1.012 364 E CA 0.613 56.742 56.400 -0.451 0.000 0.901 364 E CB 1.029 30.084 29.700 -1.076 0.000 0.967 364 E HN 0.485 nan 8.360 nan 0.000 0.435 365 E N 2.046 122.132 120.200 -0.190 0.000 2.447 365 E HA 0.249 4.599 4.350 0.000 0.000 0.204 365 E C 0.415 176.923 176.600 -0.154 0.000 0.977 365 E CA 0.410 56.735 56.400 -0.125 0.000 0.950 365 E CB 0.238 29.871 29.700 -0.112 0.000 0.975 365 E HN 0.634 nan 8.360 nan 0.000 0.496 366 G N 0.198 108.922 108.800 -0.126 0.000 2.630 366 G HA2 0.025 3.985 3.960 0.000 0.000 0.236 366 G HA3 0.025 3.985 3.960 0.000 0.000 0.236 366 G C -0.596 174.393 174.900 0.149 0.000 1.248 366 G CA -0.408 44.677 45.100 -0.026 0.000 0.844 366 G HN 0.065 nan 8.290 nan 0.000 0.588 367 F N 1.533 121.742 119.950 0.431 0.000 2.464 367 F HA 0.299 4.826 4.527 0.000 0.000 0.353 367 F C 1.302 177.437 175.800 0.558 0.000 1.191 367 F CA -1.063 57.181 58.000 0.406 0.000 1.147 367 F CB 0.238 39.434 39.000 0.326 0.000 1.294 367 F HN 0.377 nan 8.300 nan 0.000 0.583 368 S N 2.480 118.550 115.700 0.616 0.000 2.617 368 S HA 0.725 5.196 4.470 0.000 0.000 0.283 368 S C -0.506 174.296 174.600 0.337 0.000 1.189 368 S CA -0.899 57.635 58.200 0.557 0.000 1.036 368 S CB 1.983 65.445 63.200 0.437 0.000 1.014 368 S HN 0.571 nan 8.310 nan 0.000 0.522 369 E N 0.598 120.934 120.200 0.226 0.000 2.317 369 E HA 0.329 4.680 4.350 0.000 0.000 0.270 369 E C 0.596 177.173 176.600 -0.038 0.000 0.885 369 E CA -0.675 55.701 56.400 -0.040 0.000 0.760 369 E CB 1.934 31.679 29.700 0.075 0.000 1.227 369 E HN 0.743 nan 8.360 nan 0.000 0.434 370 S N 2.159 117.738 115.700 -0.201 0.000 2.413 370 S HA -0.268 4.202 4.470 0.000 0.000 0.237 370 S C 1.926 176.545 174.600 0.031 0.000 1.044 370 S CA 1.819 60.024 58.200 0.007 0.000 1.024 370 S CB -0.840 62.359 63.200 -0.001 0.000 0.829 370 S HN 0.696 nan 8.310 nan 0.000 0.475 371 I N -0.411 120.141 120.570 -0.031 0.000 2.700 371 I HA -0.089 4.081 4.170 0.000 0.000 0.261 371 I C 1.157 177.261 176.117 -0.021 0.000 1.219 371 I CA 1.654 62.909 61.300 -0.076 0.000 1.463 371 I CB -0.551 37.283 38.000 -0.277 0.000 1.092 371 I HN 0.030 nan 8.210 nan 0.000 0.452 372 D N 1.434 121.861 120.400 0.045 0.000 2.317 372 D HA -0.031 4.610 4.640 0.000 0.000 0.211 372 D C 2.480 178.820 176.300 0.066 0.000 0.966 372 D CA 0.865 54.930 54.000 0.109 0.000 0.876 372 D CB 0.183 41.121 40.800 0.230 0.000 0.927 372 D HN 0.365 nan 8.370 nan 0.000 0.519 373 V N 1.413 121.346 119.914 0.031 0.000 2.307 373 V HA -0.245 3.875 4.120 0.000 0.000 0.245 373 V C 2.520 178.611 176.094 -0.004 0.000 1.045 373 V CA 1.480 63.769 62.300 -0.018 0.000 1.024 373 V CB -0.461 31.343 31.823 -0.032 0.000 0.651 373 V HN 0.193 nan 8.190 nan 0.000 0.449 374 M N 0.898 120.505 119.600 0.012 0.000 2.059 374 M HA -0.088 4.392 4.480 0.000 0.000 0.259 374 M C -0.365 175.940 176.300 0.009 0.000 1.072 374 M CA 2.382 57.687 55.300 0.007 0.000 1.117 374 M CB -1.226 31.380 32.600 0.009 0.000 1.320 374 M HN 0.192 nan 8.290 nan 0.000 0.408 375 P HA -0.149 nan 4.420 nan 0.000 0.217 375 P C 1.234 178.572 177.300 0.062 0.000 1.151 375 P CA 2.000 65.127 63.100 0.044 0.000 0.849 375 P CB -0.446 31.295 31.700 0.069 0.000 0.787 376 T N -0.389 114.202 114.554 0.061 0.000 2.674 376 T HA -0.121 4.229 4.350 0.000 0.000 0.265 376 T C 1.827 176.567 174.700 0.066 0.000 1.039 376 T CA 1.225 63.364 62.100 0.064 0.000 1.150 376 T CB -0.929 67.942 68.868 0.004 0.000 0.864 376 T HN 0.069 nan 8.240 nan 0.000 0.427 377 I N 0.660 121.239 120.570 0.016 0.000 2.163 377 I HA -0.167 4.003 4.170 0.000 0.000 0.243 377 I C 2.334 178.489 176.117 0.063 0.000 1.085 377 I CA 1.272 62.584 61.300 0.020 0.000 1.347 377 I CB -0.390 37.605 38.000 -0.008 0.000 1.044 377 I HN 0.187 nan 8.210 nan 0.000 0.408 378 L N 0.333 121.569 121.223 0.021 0.000 2.005 378 L HA -0.219 4.121 4.340 0.000 0.000 0.207 378 L C 2.713 179.605 176.870 0.036 0.000 1.072 378 L CA 1.891 56.728 54.840 -0.005 0.000 0.744 378 L CB -0.717 41.330 42.059 -0.020 0.000 0.895 378 L HN 0.372 nan 8.230 nan 0.000 0.433 379 E N -0.493 119.746 120.200 0.066 0.000 2.150 379 E HA -0.299 4.051 4.350 0.000 0.000 0.193 379 E C 2.121 178.781 176.600 0.100 0.000 0.985 379 E CA 1.112 57.554 56.400 0.069 0.000 0.814 379 E CB -0.537 29.206 29.700 0.071 0.000 0.752 379 E HN 0.455 nan 8.360 nan 0.000 0.466 380 W N 1.292 122.569 121.300 -0.038 0.000 2.331 380 W HA -0.085 4.575 4.660 0.000 0.000 0.291 380 W C 1.422 177.903 176.519 -0.063 0.000 1.214 380 W CA 1.376 58.693 57.345 -0.047 0.000 1.228 380 W CB 0.056 29.480 29.460 -0.059 0.000 1.135 380 W HN 0.091 nan 8.180 nan 0.000 0.537 381 L N -0.098 121.168 121.223 0.071 0.000 2.653 381 L HA 0.310 4.650 4.340 0.000 0.000 0.231 381 L C 1.711 178.559 176.870 -0.037 0.000 1.153 381 L CA 0.638 55.448 54.840 -0.050 0.000 0.933 381 L CB -0.600 41.373 42.059 -0.143 0.000 1.175 381 L HN 0.215 nan 8.230 nan 0.000 0.473 382 G N -0.612 108.162 108.800 -0.044 0.000 2.179 382 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 382 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 382 G C 0.498 175.395 174.900 -0.005 0.000 0.990 382 G CA -0.271 44.811 45.100 -0.030 0.000 0.646 382 G HN 0.486 nan 8.290 nan 0.000 0.517 383 G N -0.723 108.078 108.800 0.003 0.000 2.557 383 G HA2 0.579 4.539 3.960 0.000 0.000 0.292 383 G HA3 0.579 4.539 3.960 0.000 0.000 0.292 383 G C -0.235 174.667 174.900 0.003 0.000 1.237 383 G CA -0.378 44.724 45.100 0.004 0.000 0.978 383 G HN 0.188 nan 8.290 nan 0.000 0.498 384 E N -0.348 119.851 120.200 -0.002 0.000 2.283 384 E HA 0.286 4.637 4.350 0.000 0.000 0.271 384 E C -0.233 176.365 176.600 -0.005 0.000 1.031 384 E CA -0.208 56.189 56.400 -0.005 0.000 0.868 384 E CB 1.406 31.096 29.700 -0.015 0.000 1.094 384 E HN 0.228 nan 8.360 nan 0.000 0.401 385 T N 4.181 118.734 114.554 -0.001 0.000 2.737 385 T HA 0.231 4.581 4.350 0.000 0.000 0.296 385 T C -2.171 172.517 174.700 -0.021 0.000 0.922 385 T CA -1.174 60.926 62.100 0.000 0.000 1.079 385 T CB 0.384 69.263 68.868 0.018 0.000 0.892 385 T HN 0.115 nan 8.240 nan 0.000 0.514 386 P HA 0.130 nan 4.420 nan 0.000 0.264 386 P C 0.859 178.125 177.300 -0.056 0.000 1.179 386 P CA -0.323 62.758 63.100 -0.032 0.000 0.763 386 P CB 0.620 32.313 31.700 -0.011 0.000 0.806 387 R N 3.161 123.596 120.500 -0.109 0.000 2.153 387 R HA -0.205 4.135 4.340 0.000 0.000 0.252 387 R C 2.020 178.272 176.300 -0.080 0.000 1.158 387 R CA 2.318 58.315 56.100 -0.172 0.000 0.975 387 R CB -1.383 28.699 30.300 -0.363 0.000 0.871 387 R HN 0.624 nan 8.270 nan 0.000 0.450 388 A N -0.888 121.918 122.820 -0.023 0.000 2.119 388 A HA 0.022 4.342 4.320 0.000 0.000 0.216 388 A C 0.649 178.245 177.584 0.020 0.000 1.152 388 A CA 0.253 52.302 52.037 0.021 0.000 0.708 388 A CB -0.303 18.735 19.000 0.063 0.000 0.805 388 A HN 0.328 nan 8.150 nan 0.000 0.460 389 C N 1.543 120.847 119.300 0.007 0.000 2.648 389 C HA 0.097 4.557 4.460 0.000 0.000 0.419 389 C C 1.275 176.283 174.990 0.030 0.000 1.352 389 C CA -0.372 58.651 59.018 0.007 0.000 1.816 389 C CB -0.357 27.383 27.740 0.001 0.000 2.598 389 C HN 0.558 nan 8.230 nan 0.000 0.598 390 D N 1.872 122.285 120.400 0.021 0.000 2.149 390 D HA -0.001 4.639 4.640 0.000 0.000 0.201 390 D C 1.428 177.728 176.300 -0.001 0.000 0.972 390 D CA 0.871 54.922 54.000 0.084 0.000 0.835 390 D CB -0.131 40.610 40.800 -0.100 0.000 0.966 390 D HN 0.782 nan 8.370 nan 0.000 0.476 391 G N 0.180 108.922 108.800 -0.096 0.000 2.667 391 G HA2 0.294 4.254 3.960 0.000 0.000 0.250 391 G HA3 0.294 4.254 3.960 0.000 0.000 0.250 391 G C 0.056 174.975 174.900 0.030 0.000 1.212 391 G CA -0.347 44.719 45.100 -0.057 0.000 0.874 391 G HN -0.014 nan 8.290 nan 0.000 0.561 392 R N -0.297 120.257 120.500 0.089 0.000 2.686 392 R HA 0.350 4.690 4.340 0.000 0.000 0.283 392 R C -0.204 176.294 176.300 0.330 0.000 0.978 392 R CA -0.619 55.592 56.100 0.185 0.000 0.897 392 R CB 1.994 32.376 30.300 0.138 0.000 1.192 392 R HN 0.615 nan 8.270 nan 0.000 0.457 393 S N 2.208 118.066 115.700 0.264 0.000 2.563 393 S HA -0.011 4.459 4.470 0.000 0.000 0.294 393 S C 1.342 176.145 174.600 0.337 0.000 1.279 393 S CA -0.118 58.227 58.200 0.242 0.000 1.069 393 S CB 0.308 63.615 63.200 0.179 0.000 0.828 393 S HN 0.525 nan 8.310 nan 0.000 0.497 394 L N 5.624 127.002 121.223 0.257 0.000 2.599 394 L HA 0.061 4.402 4.340 0.000 0.000 0.230 394 L C 1.947 178.976 176.870 0.265 0.000 1.141 394 L CA 0.089 55.097 54.840 0.279 0.000 0.877 394 L CB -0.393 41.724 42.059 0.097 0.000 1.009 394 L HN 0.723 nan 8.230 nan 0.000 0.447 395 L N 0.497 121.832 121.223 0.187 0.000 2.081 395 L HA -0.190 4.150 4.340 0.000 0.000 0.212 395 L C -0.112 176.822 176.870 0.107 0.000 1.080 395 L CA 1.654 56.594 54.840 0.166 0.000 0.754 395 L CB -1.759 40.404 42.059 0.173 0.000 0.893 395 L HN 0.264 nan 8.230 nan 0.000 0.433 396 P HA -0.173 nan 4.420 nan 0.000 0.218 396 P C 1.467 178.643 177.300 -0.207 0.000 1.148 396 P CA 1.382 64.415 63.100 -0.111 0.000 0.822 396 P CB -0.047 31.523 31.700 -0.215 0.000 0.784 397 F N -1.185 118.666 119.950 -0.164 0.000 2.250 397 F HA -0.116 4.411 4.527 0.000 0.000 0.301 397 F C 1.992 177.592 175.800 -0.334 0.000 1.077 397 F CA 1.156 58.993 58.000 -0.272 0.000 1.348 397 F CB -0.999 37.857 39.000 -0.239 0.000 1.040 397 F HN -0.138 nan 8.300 nan 0.000 0.509 398 L N -1.618 119.643 121.223 0.064 0.000 2.509 398 L HA 0.134 4.474 4.340 0.000 0.000 0.222 398 L C 1.919 178.940 176.870 0.252 0.000 1.123 398 L CA 0.225 55.142 54.840 0.128 0.000 0.856 398 L CB -0.722 41.434 42.059 0.162 0.000 0.985 398 L HN 0.102 nan 8.230 nan 0.000 0.456 399 A N 0.812 123.728 122.820 0.161 0.000 3.909 399 A HA 0.091 4.411 4.320 0.000 0.000 0.180 399 A C 1.580 179.303 177.584 0.233 0.000 1.812 399 A CA 0.146 52.280 52.037 0.161 0.000 1.557 399 A CB -0.273 18.765 19.000 0.063 0.000 1.216 399 A HN 0.205 nan 8.150 nan 0.000 0.386 400 E N -0.541 119.702 120.200 0.071 0.000 2.435 400 E HA 0.410 4.760 4.350 0.000 0.000 0.195 400 E C 0.861 177.461 176.600 -0.001 0.000 1.029 400 E CA 0.800 57.230 56.400 0.050 0.000 0.865 400 E CB -0.119 29.577 29.700 -0.007 0.000 0.833 400 E HN 1.147 nan 8.360 nan 0.000 0.510 401 G N 0.664 109.380 108.800 -0.139 0.000 2.352 401 G HA2 -0.195 3.765 3.960 0.000 0.000 0.324 401 G HA3 -0.195 3.765 3.960 0.000 0.000 0.324 401 G C -1.173 173.349 174.900 -0.630 0.000 1.249 401 G CA -0.626 44.293 45.100 -0.302 0.000 1.053 401 G HN 0.134 nan 8.290 nan 0.000 0.492 402 K N 1.602 121.595 120.400 -0.677 0.000 2.430 402 K HA 0.364 4.685 4.320 0.000 0.000 0.280 402 K C -1.896 174.426 176.600 -0.463 0.000 1.063 402 K CA -0.585 55.154 56.287 -0.912 0.000 1.071 402 K CB 0.037 32.353 32.500 -0.307 0.000 0.899 402 K HN 0.246 nan 8.250 nan 0.000 0.473 403 P HA -0.080 nan 4.420 nan 0.000 0.265 403 P C 0.271 177.597 177.300 0.043 0.000 1.187 403 P CA -0.006 63.034 63.100 -0.100 0.000 0.766 403 P CB 0.967 32.697 31.700 0.051 0.000 0.820 404 S N 0.854 116.577 115.700 0.037 0.000 2.493 404 S HA -0.175 4.295 4.470 0.000 0.000 0.243 404 S C 0.972 175.640 174.600 0.113 0.000 0.991 404 S CA 1.339 59.577 58.200 0.063 0.000 0.957 404 S CB -0.716 62.508 63.200 0.040 0.000 0.756 404 S HN 0.607 nan 8.310 nan 0.000 0.521 405 D N -1.013 119.476 120.400 0.150 0.000 2.501 405 D HA 0.038 4.678 4.640 0.000 0.000 0.226 405 D C 0.075 176.513 176.300 0.230 0.000 1.198 405 D CA -0.763 53.332 54.000 0.159 0.000 0.830 405 D CB -0.812 40.053 40.800 0.108 0.000 1.014 405 D HN 0.555 nan 8.370 nan 0.000 0.496 406 W N 3.332 124.688 121.300 0.094 0.000 2.148 406 W HA 0.067 4.728 4.660 0.000 0.000 0.347 406 W C 0.894 177.541 176.519 0.213 0.000 1.288 406 W CA -0.417 57.028 57.345 0.165 0.000 1.252 406 W CB 0.816 30.389 29.460 0.188 0.000 1.156 406 W HN -0.031 nan 8.180 nan 0.000 0.580 407 R N 1.234 121.584 120.500 -0.250 0.000 2.698 407 R HA 0.003 4.343 4.340 0.000 0.000 0.266 407 R C 0.775 177.269 176.300 0.323 0.000 1.026 407 R CA 1.001 57.126 56.100 0.041 0.000 1.102 407 R CB -0.027 30.287 30.300 0.024 0.000 0.978 407 R HN 0.479 nan 8.270 nan 0.000 0.436 408 T N -1.965 112.779 114.554 0.317 0.000 3.054 408 T HA 0.195 4.545 4.350 0.000 0.000 0.255 408 T C -0.378 174.595 174.700 0.455 0.000 1.035 408 T CA -0.332 62.007 62.100 0.398 0.000 0.941 408 T CB 0.189 69.209 68.868 0.253 0.000 1.026 408 T HN 0.681 nan 8.240 nan 0.000 0.533 409 E N 0.391 120.721 120.200 0.218 0.000 2.369 409 E HA 0.702 5.053 4.350 0.000 0.000 0.270 409 E C -1.197 175.085 176.600 -0.531 0.000 0.909 409 E CA -0.784 55.465 56.400 -0.251 0.000 0.775 409 E CB 1.826 31.316 29.700 -0.349 0.000 1.270 409 E HN 0.149 nan 8.360 nan 0.000 0.445 410 L N 1.737 122.453 121.223 -0.846 0.000 2.357 410 L HA 0.529 4.869 4.340 0.000 0.000 0.273 410 L C -0.621 175.722 176.870 -0.878 0.000 1.080 410 L CA -0.591 53.900 54.840 -0.581 0.000 0.803 410 L CB 0.616 42.432 42.059 -0.405 0.000 1.174 410 L HN 0.532 nan 8.230 nan 0.000 0.443 411 H N 1.334 120.218 119.070 -0.310 0.000 2.679 411 H HA 0.612 5.168 4.556 0.000 0.000 0.360 411 H C -1.420 173.845 175.328 -0.104 0.000 1.105 411 H CA -0.679 55.033 56.048 -0.560 0.000 1.196 411 H CB 1.565 30.793 29.762 -0.890 0.000 1.636 411 H HN 0.414 nan 8.280 nan 0.000 0.531 412 Y N -1.277 118.918 120.300 -0.176 0.000 2.592 412 Y HA 0.625 5.176 4.550 0.000 0.000 0.334 412 Y C -1.185 174.692 175.900 -0.039 0.000 1.136 412 Y CA -1.167 56.902 58.100 -0.051 0.000 1.042 412 Y CB 1.483 39.813 38.460 -0.216 0.000 1.325 412 Y HN 0.509 nan 8.280 nan 0.000 0.457 413 E N 2.158 122.560 120.200 0.337 0.000 2.359 413 E HA 0.668 5.018 4.350 0.000 0.000 0.266 413 E C -2.155 174.761 176.600 0.527 0.000 0.920 413 E CA -1.118 55.465 56.400 0.305 0.000 0.788 413 E CB 3.457 33.312 29.700 0.258 0.000 1.279 413 E HN 0.605 nan 8.360 nan 0.000 0.438 414 F N 1.420 121.530 119.950 0.266 0.000 2.588 414 F HA 0.242 4.769 4.527 0.000 0.000 0.314 414 F C -1.646 174.325 175.800 0.286 0.000 1.134 414 F CA -0.668 57.533 58.000 0.336 0.000 0.961 414 F CB 1.607 40.878 39.000 0.451 0.000 1.239 414 F HN 0.327 nan 8.300 nan 0.000 0.448 415 D N 5.782 125.935 120.400 -0.412 0.000 2.278 415 D HA 0.279 4.920 4.640 0.000 0.000 0.245 415 D C -0.718 175.181 176.300 -0.668 0.000 1.052 415 D CA -0.357 53.383 54.000 -0.435 0.000 0.834 415 D CB 1.323 41.964 40.800 -0.266 0.000 1.194 415 D HN 0.488 nan 8.370 nan 0.000 0.481 416 F N 2.167 121.902 119.950 -0.359 0.000 2.881 416 F HA 0.340 4.867 4.527 0.000 0.000 0.343 416 F C 0.669 176.397 175.800 -0.119 0.000 1.233 416 F CA -1.176 56.692 58.000 -0.220 0.000 1.262 416 F CB -0.133 38.954 39.000 0.145 0.000 0.980 416 F HN 0.072 nan 8.300 nan 0.000 0.506 417 R N -0.512 119.837 120.500 -0.252 0.000 2.679 417 R HA 0.192 4.532 4.340 0.000 0.000 0.269 417 R C -0.788 175.445 176.300 -0.112 0.000 1.076 417 R CA -0.592 55.401 56.100 -0.178 0.000 1.160 417 R CB 0.361 30.555 30.300 -0.177 0.000 1.054 417 R HN 0.058 nan 8.270 nan 0.000 0.507 418 D N 1.754 122.094 120.400 -0.100 0.000 2.520 418 D HA 0.056 4.696 4.640 0.000 0.000 0.243 418 D C 0.403 176.636 176.300 -0.113 0.000 1.160 418 D CA 0.221 54.159 54.000 -0.104 0.000 0.877 418 D CB 0.874 41.632 40.800 -0.071 0.000 1.150 418 D HN 0.463 nan 8.370 nan 0.000 0.494 419 V N 0.302 120.092 119.914 -0.207 0.000 3.284 419 V HA 0.489 4.609 4.120 0.000 0.000 0.309 419 V C 1.024 176.976 176.094 -0.236 0.000 1.190 419 V CA -0.748 61.409 62.300 -0.238 0.000 1.038 419 V CB 0.852 32.410 31.823 -0.440 0.000 1.198 419 V HN 0.413 nan 8.190 nan 0.000 0.465 420 F N -0.264 119.608 119.950 -0.131 0.000 2.661 420 F HA 0.188 4.715 4.527 0.000 0.000 0.298 420 F C 1.530 177.381 175.800 0.086 0.000 1.137 420 F CA 0.751 58.763 58.000 0.018 0.000 1.454 420 F CB -0.906 38.162 39.000 0.113 0.000 1.103 420 F HN 0.578 nan 8.300 nan 0.000 0.577 421 Y N -1.321 118.752 120.300 -0.378 0.000 2.453 421 Y HA 0.480 5.030 4.550 0.000 0.000 0.247 421 Y C -0.767 175.100 175.900 -0.053 0.000 1.124 421 Y CA -1.076 56.896 58.100 -0.214 0.000 1.243 421 Y CB 0.001 38.215 38.460 -0.410 0.000 1.213 421 Y HN 0.055 nan 8.280 nan 0.000 0.523 422 D N 0.535 120.741 120.400 -0.325 0.000 2.977 422 D HA 0.302 4.943 4.640 0.000 0.000 0.220 422 D C -1.654 174.560 176.300 -0.143 0.000 1.267 422 D CA -0.346 53.590 54.000 -0.107 0.000 0.884 422 D CB 1.637 42.455 40.800 0.031 0.000 1.667 422 D HN 0.075 nan 8.370 nan 0.000 0.536 423 Q N 3.635 123.380 119.800 -0.092 0.000 2.721 423 Q HA 0.339 4.680 4.340 0.000 0.000 0.257 423 Q C -1.985 173.855 176.000 -0.266 0.000 1.070 423 Q CA -1.596 54.129 55.803 -0.130 0.000 0.910 423 Q CB 1.557 30.253 28.738 -0.069 0.000 1.163 423 Q HN 0.260 nan 8.270 nan 0.000 0.501 424 P HA -0.177 nan 4.420 nan 0.000 0.225 424 P C 0.649 177.755 177.300 -0.324 0.000 1.148 424 P CA 1.153 63.771 63.100 -0.803 0.000 0.779 424 P CB 0.407 31.824 31.700 -0.473 0.000 0.780 425 Q N -1.164 118.548 119.800 -0.147 0.000 2.291 425 Q HA -0.127 4.213 4.340 0.000 0.000 0.205 425 Q C 2.063 178.027 176.000 -0.060 0.000 0.970 425 Q CA 0.905 56.671 55.803 -0.061 0.000 0.876 425 Q CB -0.508 28.201 28.738 -0.048 0.000 0.935 425 Q HN 0.447 nan 8.270 nan 0.000 0.455 426 N N -0.357 118.293 118.700 -0.083 0.000 2.171 426 N HA -0.110 4.630 4.740 0.000 0.000 0.184 426 N C 1.534 177.034 175.510 -0.017 0.000 1.021 426 N CA 0.923 53.952 53.050 -0.034 0.000 0.854 426 N CB 0.230 38.709 38.487 -0.014 0.000 0.994 426 N HN 0.046 nan 8.380 nan 0.000 0.426 427 S N 0.305 115.980 115.700 -0.041 0.000 2.353 427 S HA -0.139 4.331 4.470 0.000 0.000 0.222 427 S C 1.959 176.554 174.600 -0.008 0.000 1.035 427 S CA 1.586 59.799 58.200 0.022 0.000 1.025 427 S CB -0.316 62.924 63.200 0.067 0.000 0.902 427 S HN 0.487 nan 8.310 nan 0.000 0.440 428 V N -0.777 119.114 119.914 -0.039 0.000 3.650 428 V HA 0.213 4.333 4.120 0.000 0.000 0.271 428 V C -0.248 175.850 176.094 0.007 0.000 1.281 428 V CA -0.063 62.229 62.300 -0.013 0.000 1.120 428 V CB -0.628 31.208 31.823 0.021 0.000 0.856 428 V HN 0.405 nan 8.190 nan 0.000 0.443 429 Q N 0.411 120.212 119.800 0.003 0.000 2.457 429 Q HA -0.155 4.185 4.340 0.000 0.000 0.333 429 Q C -0.687 175.322 176.000 0.014 0.000 1.448 429 Q CA 0.934 56.740 55.803 0.004 0.000 0.891 429 Q CB -2.011 26.726 28.738 -0.001 0.000 1.142 429 Q HN 0.767 nan 8.270 nan 0.000 0.375 430 L N -0.206 121.030 121.223 0.021 0.000 2.434 430 L HA 0.523 4.864 4.340 0.000 0.000 0.260 430 L C 0.660 177.527 176.870 -0.006 0.000 0.983 430 L CA -0.819 54.033 54.840 0.020 0.000 0.820 430 L CB 2.069 44.163 42.059 0.057 0.000 1.361 430 L HN 0.324 nan 8.230 nan 0.000 0.410 431 S N -0.376 115.315 115.700 -0.015 0.000 2.645 431 S HA 0.136 4.606 4.470 0.000 0.000 0.266 431 S C 0.725 175.290 174.600 -0.058 0.000 1.258 431 S CA -0.508 57.674 58.200 -0.031 0.000 0.990 431 S CB 1.178 64.364 63.200 -0.023 0.000 0.967 431 S HN 0.786 nan 8.310 nan 0.000 0.556 432 Q N 0.115 119.874 119.800 -0.067 0.000 2.167 432 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 432 Q C 0.264 176.190 176.000 -0.123 0.000 0.970 432 Q CA 1.466 57.207 55.803 -0.104 0.000 0.855 432 Q CB -0.520 28.168 28.738 -0.083 0.000 0.911 432 Q HN 0.683 nan 8.270 nan 0.000 0.438 433 D N 1.286 121.637 120.400 -0.082 0.000 2.363 433 D HA -0.046 4.594 4.640 0.000 0.000 0.220 433 D C 0.235 176.492 176.300 -0.072 0.000 0.994 433 D CA 0.591 54.548 54.000 -0.071 0.000 0.890 433 D CB 0.146 40.920 40.800 -0.042 0.000 0.906 433 D HN 0.348 nan 8.370 nan 0.000 0.530 434 D N -0.581 119.772 120.400 -0.078 0.000 2.402 434 D HA 0.060 4.700 4.640 0.000 0.000 0.216 434 D C -0.026 176.201 176.300 -0.121 0.000 1.128 434 D CA -0.098 53.871 54.000 -0.052 0.000 0.833 434 D CB 0.105 40.905 40.800 -0.000 0.000 0.971 434 D HN 0.048 nan 8.370 nan 0.000 0.503 435 C N 2.155 121.259 119.300 -0.327 0.000 2.478 435 C HA 0.500 4.960 4.460 0.000 0.000 0.471 435 C C 0.645 174.930 174.990 -1.176 0.000 1.146 435 C CA -0.470 58.006 59.018 -0.904 0.000 1.532 435 C CB -1.961 25.275 27.740 -0.839 0.000 1.622 435 C HN 0.260 nan 8.230 nan 0.000 0.568 436 S N 1.524 116.909 115.700 -0.524 0.000 2.588 436 S HA 0.896 5.366 4.470 0.000 0.000 0.269 436 S C -1.248 173.442 174.600 0.150 0.000 1.157 436 S CA -0.745 57.367 58.200 -0.147 0.000 0.824 436 S CB 1.402 64.529 63.200 -0.121 0.000 1.126 436 S HN 0.574 nan 8.310 nan 0.000 0.464 437 L N -1.092 120.193 121.223 0.103 0.000 2.469 437 L HA 1.021 5.361 4.340 0.000 0.000 0.256 437 L C -0.639 176.197 176.870 -0.058 0.000 1.006 437 L CA -0.799 53.951 54.840 -0.150 0.000 0.832 437 L CB 1.199 42.868 42.059 -0.649 0.000 1.421 437 L HN 1.276 nan 8.230 nan 0.000 0.410 438 C N -0.399 118.826 119.300 -0.126 0.000 2.802 438 C HA 0.983 5.443 4.460 0.000 0.000 0.307 438 C C -0.345 174.449 174.990 -0.327 0.000 1.222 438 C CA -0.862 58.089 59.018 -0.111 0.000 1.580 438 C CB 1.019 28.817 27.740 0.097 0.000 2.119 438 C HN 0.803 nan 8.230 nan 0.000 0.479 439 V N 2.943 122.532 119.914 -0.541 0.000 2.769 439 V HA 0.682 4.802 4.120 0.000 0.000 0.312 439 V C -0.540 175.046 176.094 -0.845 0.000 1.061 439 V CA -0.498 61.341 62.300 -0.768 0.000 0.931 439 V CB 1.797 32.906 31.823 -1.190 0.000 1.010 439 V HN 0.907 nan 8.190 nan 0.000 0.433 440 I N 3.728 123.935 120.570 -0.605 0.000 2.534 440 I HA 0.550 4.721 4.170 0.000 0.000 0.286 440 I C -0.953 174.954 176.117 -0.348 0.000 1.094 440 I CA -0.136 60.850 61.300 -0.523 0.000 1.055 440 I CB 1.750 39.621 38.000 -0.216 0.000 1.225 440 I HN 0.987 nan 8.210 nan 0.000 0.435 441 E N 6.180 126.123 120.200 -0.429 0.000 2.291 441 E HA 0.457 4.807 4.350 0.000 0.000 0.276 441 E C -1.780 174.615 176.600 -0.342 0.000 0.896 441 E CA -0.509 55.705 56.400 -0.311 0.000 0.774 441 E CB 2.050 31.579 29.700 -0.285 0.000 1.227 441 E HN 0.635 nan 8.360 nan 0.000 0.413 442 D N 2.329 122.662 120.400 -0.111 0.000 2.758 442 D HA 0.096 4.736 4.640 0.000 0.000 0.262 442 D C 0.972 177.369 176.300 0.160 0.000 1.113 442 D CA -0.491 53.534 54.000 0.042 0.000 1.114 442 D CB 0.135 41.109 40.800 0.291 0.000 1.363 442 D HN 0.437 nan 8.370 nan 0.000 0.617 443 E N -0.122 120.271 120.200 0.321 0.000 2.268 443 E HA -0.152 4.198 4.350 0.000 0.000 0.195 443 E C 0.244 176.846 176.600 0.004 0.000 0.995 443 E CA 1.005 57.513 56.400 0.180 0.000 0.836 443 E CB -0.329 29.469 29.700 0.163 0.000 0.763 443 E HN 0.397 nan 8.360 nan 0.000 0.491 444 N N -0.798 117.873 118.700 -0.048 0.000 2.510 444 N HA 0.078 4.819 4.740 0.000 0.000 0.186 444 N C -0.148 174.922 175.510 -0.734 0.000 1.051 444 N CA 0.436 53.273 53.050 -0.356 0.000 0.877 444 N CB 0.429 38.722 38.487 -0.325 0.000 1.183 444 N HN 0.126 nan 8.380 nan 0.000 0.443 445 Y N 0.124 120.358 120.300 -0.109 0.000 2.638 445 Y HA 0.468 5.018 4.550 0.000 0.000 0.339 445 Y C -0.189 175.455 175.900 -0.426 0.000 1.084 445 Y CA -1.071 56.787 58.100 -0.403 0.000 1.068 445 Y CB 1.748 39.808 38.460 -0.668 0.000 1.294 445 Y HN -0.350 nan 8.280 nan 0.000 0.480 446 K N 1.054 121.270 120.400 -0.306 0.000 2.471 446 K HA 0.442 4.762 4.320 0.000 0.000 0.252 446 K C -2.374 174.145 176.600 -0.136 0.000 0.938 446 K CA -0.756 55.413 56.287 -0.197 0.000 0.796 446 K CB 1.442 33.913 32.500 -0.049 0.000 1.161 446 K HN 0.684 nan 8.250 nan 0.000 0.425 447 Y N 4.375 124.572 120.300 -0.171 0.000 2.388 447 Y HA 0.354 4.904 4.550 0.000 0.000 0.328 447 Y C -1.389 174.450 175.900 -0.102 0.000 0.963 447 Y CA -0.839 57.269 58.100 0.014 0.000 1.240 447 Y CB 1.158 39.709 38.460 0.151 0.000 1.118 447 Y HN 0.247 nan 8.280 nan 0.000 0.484 448 V N 7.075 126.680 119.914 -0.515 0.000 2.348 448 V HA 0.144 4.264 4.120 0.000 0.000 0.270 448 V C -0.515 175.116 176.094 -0.772 0.000 1.037 448 V CA -0.463 61.482 62.300 -0.592 0.000 0.872 448 V CB 0.123 31.651 31.823 -0.492 0.000 1.002 448 V HN 0.752 nan 8.190 nan 0.000 0.464 449 H N 4.843 123.424 119.070 -0.815 0.000 2.519 449 H HA 0.547 5.103 4.556 0.000 0.000 0.316 449 H C -0.775 174.367 175.328 -0.310 0.000 1.065 449 H CA -0.445 55.280 56.048 -0.537 0.000 1.264 449 H CB 0.665 30.215 29.762 -0.354 0.000 1.413 449 H HN 0.486 nan 8.280 nan 0.000 0.465 450 F N 2.960 122.652 119.950 -0.430 0.000 2.379 450 F HA 0.318 4.845 4.527 0.000 0.000 0.332 450 F C 1.494 177.249 175.800 -0.075 0.000 1.096 450 F CA -0.011 57.923 58.000 -0.110 0.000 1.105 450 F CB 1.369 40.366 39.000 -0.006 0.000 1.189 450 F HN 0.736 nan 8.300 nan 0.000 0.515 451 A N 2.545 125.528 122.820 0.271 0.000 1.930 451 A HA 0.242 4.562 4.320 0.000 0.000 0.217 451 A C 1.329 179.020 177.584 0.179 0.000 1.175 451 A CA 1.600 53.767 52.037 0.218 0.000 0.627 451 A CB -0.512 18.571 19.000 0.139 0.000 0.815 451 A HN 0.862 nan 8.150 nan 0.000 0.443 452 A N -1.352 121.588 122.820 0.200 0.000 2.758 452 A HA 0.606 4.926 4.320 0.000 0.000 0.223 452 A C -0.346 177.302 177.584 0.107 0.000 0.877 452 A CA -0.323 51.791 52.037 0.129 0.000 1.152 452 A CB 0.019 19.079 19.000 0.100 0.000 1.239 452 A HN 0.251 nan 8.150 nan 0.000 0.470 453 L N -0.713 120.573 121.223 0.105 0.000 2.491 453 L HA 0.544 4.885 4.340 0.000 0.000 0.254 453 L C -2.776 174.046 176.870 -0.079 0.000 1.048 453 L CA -2.497 52.302 54.840 -0.068 0.000 0.855 453 L CB 2.455 44.379 42.059 -0.226 0.000 1.466 453 L HN -0.025 nan 8.230 nan 0.000 0.409 454 P HA 0.181 nan 4.420 nan 0.000 0.271 454 P C -2.586 174.717 177.300 0.006 0.000 1.216 454 P CA -0.944 62.111 63.100 -0.075 0.000 0.776 454 P CB -0.084 31.549 31.700 -0.112 0.000 0.881 455 P HA 0.315 nan 4.420 nan 0.000 0.278 455 P C -1.010 176.261 177.300 -0.049 0.000 1.266 455 P CA -0.182 62.910 63.100 -0.013 0.000 0.807 455 P CB 0.963 32.665 31.700 0.002 0.000 1.094 456 L N 0.657 121.772 121.223 -0.181 0.000 2.362 456 L HA 0.607 4.947 4.340 0.000 0.000 0.271 456 L C -0.608 176.089 176.870 -0.288 0.000 1.002 456 L CA -0.749 53.881 54.840 -0.351 0.000 0.818 456 L CB 1.660 43.388 42.059 -0.551 0.000 1.298 456 L HN 0.294 nan 8.230 nan 0.000 0.420 457 F N 2.778 122.316 119.950 -0.687 0.000 2.573 457 F HA 0.641 5.168 4.527 0.000 0.000 0.316 457 F C -1.528 173.862 175.800 -0.683 0.000 1.148 457 F CA -0.809 56.901 58.000 -0.483 0.000 0.940 457 F CB 1.401 40.276 39.000 -0.210 0.000 1.214 457 F HN 0.079 nan 8.300 nan 0.000 0.448 458 F N 3.671 123.218 119.950 -0.671 0.000 2.520 458 F HA 0.297 4.824 4.527 0.000 0.000 0.322 458 F C -0.118 175.382 175.800 -0.501 0.000 1.103 458 F CA -1.180 56.543 58.000 -0.463 0.000 0.926 458 F CB 1.315 40.157 39.000 -0.264 0.000 1.154 458 F HN 0.304 nan 8.300 nan 0.000 0.453 459 D N 3.739 124.105 120.400 -0.056 0.000 2.374 459 D HA 0.149 4.790 4.640 0.000 0.000 0.240 459 D C 0.910 177.148 176.300 -0.104 0.000 1.229 459 D CA 0.219 54.210 54.000 -0.016 0.000 0.895 459 D CB 0.719 41.581 40.800 0.103 0.000 1.046 459 D HN 0.567 nan 8.370 nan 0.000 0.498 460 L N 2.952 124.044 121.223 -0.218 0.000 2.275 460 L HA -0.141 4.199 4.340 0.000 0.000 0.215 460 L C 1.987 178.767 176.870 -0.150 0.000 1.119 460 L CA 0.697 55.432 54.840 -0.176 0.000 0.790 460 L CB -0.129 41.824 42.059 -0.176 0.000 0.919 460 L HN 0.243 nan 8.230 nan 0.000 0.443 461 K N 0.689 120.993 120.400 -0.159 0.000 1.967 461 K HA -0.037 4.283 4.320 0.000 0.000 0.212 461 K C 2.133 178.705 176.600 -0.047 0.000 1.044 461 K CA 1.609 57.837 56.287 -0.098 0.000 0.942 461 K CB -0.688 31.755 32.500 -0.095 0.000 0.726 461 K HN 0.151 nan 8.250 nan 0.000 0.440 462 A N 0.207 123.017 122.820 -0.017 0.000 2.019 462 A HA -0.127 4.193 4.320 0.000 0.000 0.219 462 A C 0.547 178.155 177.584 0.040 0.000 1.164 462 A CA 1.952 54.006 52.037 0.029 0.000 0.644 462 A CB -0.184 18.856 19.000 0.067 0.000 0.805 462 A HN 0.379 nan 8.150 nan 0.000 0.449 463 D N -2.292 118.117 120.400 0.015 0.000 2.849 463 D HA 0.187 4.828 4.640 0.000 0.000 0.314 463 D C -2.015 174.247 176.300 -0.063 0.000 1.210 463 D CA -1.253 52.772 54.000 0.043 0.000 0.756 463 D CB 0.806 41.664 40.800 0.097 0.000 1.222 463 D HN 0.097 nan 8.370 nan 0.000 0.521 464 P HA -0.079 nan 4.420 nan 0.000 0.230 464 P C 0.178 177.179 177.300 -0.497 0.000 1.158 464 P CA 0.821 63.728 63.100 -0.320 0.000 0.769 464 P CB 0.053 31.517 31.700 -0.394 0.000 0.807 465 H N -0.203 118.807 119.070 -0.100 0.000 2.475 465 H HA 0.227 4.783 4.556 0.000 0.000 0.276 465 H C -0.122 174.880 175.328 -0.543 0.000 1.126 465 H CA -0.353 55.559 56.048 -0.227 0.000 1.023 465 H CB -0.226 29.469 29.762 -0.112 0.000 1.669 465 H HN 0.059 nan 8.280 nan 0.000 0.573 466 E N -0.624 119.255 120.200 -0.535 0.000 2.389 466 E HA -0.261 4.089 4.350 0.000 0.000 0.243 466 E C -0.309 175.782 176.600 -0.849 0.000 1.154 466 E CA 0.176 55.833 56.400 -1.239 0.000 0.723 466 E CB -1.741 27.196 29.700 -1.271 0.000 1.261 466 E HN 0.500 nan 8.360 nan 0.000 0.390 467 F N 0.144 120.038 119.950 -0.094 0.000 2.619 467 F HA 0.092 4.620 4.527 0.000 0.000 0.293 467 F C 1.055 176.990 175.800 0.225 0.000 1.119 467 F CA 0.489 58.561 58.000 0.119 0.000 1.445 467 F CB 0.850 39.925 39.000 0.125 0.000 1.119 467 F HN -0.166 nan 8.300 nan 0.000 0.573 468 S N 0.583 116.561 115.700 0.465 0.000 2.653 468 S HA 0.150 4.620 4.470 0.000 0.000 0.272 468 S C -0.588 174.212 174.600 0.335 0.000 1.221 468 S CA -0.841 57.575 58.200 0.359 0.000 1.149 468 S CB 0.358 63.699 63.200 0.235 0.000 1.029 468 S HN 0.094 nan 8.310 nan 0.000 0.481 469 N N 2.894 121.731 118.700 0.229 0.000 2.414 469 N HA 0.027 4.767 4.740 0.000 0.000 0.268 469 N C 0.291 175.744 175.510 -0.094 0.000 1.286 469 N CA 0.221 53.199 53.050 -0.121 0.000 0.896 469 N CB 0.122 38.558 38.487 -0.086 0.000 1.093 469 N HN 0.603 nan 8.380 nan 0.000 0.480 470 L N 2.726 123.846 121.223 -0.172 0.000 2.667 470 L HA 0.257 4.597 4.340 0.000 0.000 0.232 470 L C 1.822 178.655 176.870 -0.061 0.000 1.138 470 L CA -0.038 54.706 54.840 -0.161 0.000 0.921 470 L CB -0.088 41.695 42.059 -0.459 0.000 1.180 470 L HN 0.623 nan 8.230 nan 0.000 0.487 471 A N 0.331 123.144 122.820 -0.012 0.000 2.067 471 A HA -0.008 4.312 4.320 0.000 0.000 0.219 471 A C 2.112 179.697 177.584 0.001 0.000 1.158 471 A CA 1.459 53.503 52.037 0.012 0.000 0.661 471 A CB -0.503 18.538 19.000 0.069 0.000 0.801 471 A HN 0.405 nan 8.150 nan 0.000 0.452 472 G N -1.151 107.655 108.800 0.011 0.000 3.088 472 G HA2 0.109 4.069 3.960 0.000 0.000 0.217 472 G HA3 0.109 4.069 3.960 0.000 0.000 0.217 472 G C 0.078 175.005 174.900 0.045 0.000 1.159 472 G CA 0.198 45.310 45.100 0.021 0.000 0.760 472 G HN 0.360 nan 8.290 nan 0.000 0.550 473 D N 1.126 121.573 120.400 0.078 0.000 2.358 473 D HA 0.154 4.794 4.640 0.000 0.000 0.258 473 D C -1.111 175.268 176.300 0.131 0.000 1.223 473 D CA -1.934 52.151 54.000 0.141 0.000 0.886 473 D CB 1.923 42.892 40.800 0.282 0.000 1.120 473 D HN 0.002 nan 8.370 nan 0.000 0.482 474 P HA -0.161 nan 4.420 nan 0.000 0.216 474 P C 1.007 178.323 177.300 0.027 0.000 1.150 474 P CA 1.390 64.513 63.100 0.038 0.000 0.843 474 P CB 0.129 31.843 31.700 0.024 0.000 0.787 475 A N -1.911 120.931 122.820 0.036 0.000 2.076 475 A HA -0.197 4.124 4.320 0.000 0.000 0.220 475 A C 1.555 179.038 177.584 -0.168 0.000 1.160 475 A CA 1.331 53.334 52.037 -0.057 0.000 0.653 475 A CB -1.717 17.244 19.000 -0.065 0.000 0.801 475 A HN 0.228 nan 8.150 nan 0.000 0.455 476 Y N -0.887 119.396 120.300 -0.028 0.000 2.470 476 Y HA 0.344 4.895 4.550 0.000 0.000 0.284 476 Y C 2.280 178.080 175.900 -0.167 0.000 1.188 476 Y CA -0.068 57.989 58.100 -0.072 0.000 1.269 476 Y CB -0.199 38.247 38.460 -0.024 0.000 1.094 476 Y HN 0.341 nan 8.280 nan 0.000 0.518 477 A N 0.453 123.250 122.820 -0.038 0.000 1.883 477 A HA -0.226 4.094 4.320 0.000 0.000 0.217 477 A C 2.440 179.942 177.584 -0.136 0.000 1.186 477 A CA 2.026 54.011 52.037 -0.086 0.000 0.624 477 A CB -0.964 18.000 19.000 -0.060 0.000 0.822 477 A HN 0.418 nan 8.150 nan 0.000 0.444 478 A N -0.665 122.081 122.820 -0.123 0.000 1.930 478 A HA 0.042 4.362 4.320 0.000 0.000 0.217 478 A C 2.191 179.680 177.584 -0.159 0.000 1.175 478 A CA 1.430 53.393 52.037 -0.124 0.000 0.627 478 A CB -0.506 18.434 19.000 -0.099 0.000 0.815 478 A HN 0.465 nan 8.150 nan 0.000 0.443 479 L N -0.688 120.431 121.223 -0.173 0.000 2.044 479 L HA -0.124 4.216 4.340 0.000 0.000 0.205 479 L C 2.539 179.178 176.870 -0.385 0.000 1.075 479 L CA 0.959 55.685 54.840 -0.189 0.000 0.747 479 L CB -0.522 41.459 42.059 -0.129 0.000 0.903 479 L HN 0.228 nan 8.230 nan 0.000 0.435 480 V N -0.038 119.483 119.914 -0.656 0.000 2.332 480 V HA -0.338 3.783 4.120 0.000 0.000 0.248 480 V C 2.670 178.414 176.094 -0.584 0.000 1.055 480 V CA 2.004 63.761 62.300 -0.906 0.000 1.038 480 V CB -0.782 30.607 31.823 -0.724 0.000 0.651 480 V HN 0.476 nan 8.190 nan 0.000 0.450 481 R N 0.288 120.578 120.500 -0.351 0.000 2.097 481 R HA -0.252 4.088 4.340 0.000 0.000 0.236 481 R C 2.091 178.243 176.300 -0.246 0.000 1.135 481 R CA 2.511 58.462 56.100 -0.247 0.000 0.934 481 R CB -0.624 29.576 30.300 -0.166 0.000 0.846 481 R HN 0.497 nan 8.270 nan 0.000 0.431 482 D N -0.566 119.691 120.400 -0.238 0.000 2.149 482 D HA -0.208 4.433 4.640 0.000 0.000 0.194 482 D C 1.806 177.909 176.300 -0.328 0.000 1.001 482 D CA 1.575 55.416 54.000 -0.265 0.000 0.849 482 D CB -0.409 40.211 40.800 -0.300 0.000 0.939 482 D HN 0.397 nan 8.370 nan 0.000 0.449 483 Y N 0.837 120.971 120.300 -0.277 0.000 2.206 483 Y HA 0.023 4.573 4.550 0.000 0.000 0.292 483 Y C 2.522 178.315 175.900 -0.178 0.000 1.123 483 Y CA 0.856 58.834 58.100 -0.203 0.000 1.142 483 Y CB -0.502 37.864 38.460 -0.157 0.000 1.006 483 Y HN -0.091 nan 8.280 nan 0.000 0.518 484 A N 0.181 122.845 122.820 -0.261 0.000 1.958 484 A HA -0.329 3.991 4.320 0.000 0.000 0.221 484 A C 2.068 179.632 177.584 -0.032 0.000 1.178 484 A CA 2.234 54.234 52.037 -0.061 0.000 0.642 484 A CB -0.726 18.200 19.000 -0.122 0.000 0.816 484 A HN 0.570 nan 8.150 nan 0.000 0.453 485 Q N -0.697 119.052 119.800 -0.085 0.000 2.046 485 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 485 Q C 2.155 178.144 176.000 -0.018 0.000 0.975 485 Q CA 1.614 57.381 55.803 -0.060 0.000 0.836 485 Q CB -0.181 28.502 28.738 -0.092 0.000 0.896 485 Q HN 0.698 nan 8.270 nan 0.000 0.428 486 K N 0.642 121.020 120.400 -0.036 0.000 2.009 486 K HA -0.151 4.169 4.320 0.000 0.000 0.210 486 K C 2.153 178.834 176.600 0.135 0.000 1.049 486 K CA 1.299 57.599 56.287 0.023 0.000 0.929 486 K CB -0.292 32.185 32.500 -0.037 0.000 0.714 486 K HN 0.131 nan 8.250 nan 0.000 0.440 487 A N 1.377 124.285 122.820 0.147 0.000 1.948 487 A HA -0.189 4.131 4.320 0.000 0.000 0.220 487 A C 2.106 179.855 177.584 0.275 0.000 1.177 487 A CA 1.374 53.563 52.037 0.253 0.000 0.636 487 A CB -0.549 18.575 19.000 0.207 0.000 0.815 487 A HN 0.222 nan 8.150 nan 0.000 0.449 488 L N -0.362 120.936 121.223 0.125 0.000 2.093 488 L HA -0.039 4.301 4.340 0.000 0.000 0.208 488 L C 2.544 179.457 176.870 0.071 0.000 1.085 488 L CA 2.284 57.161 54.840 0.062 0.000 0.755 488 L CB -0.630 41.433 42.059 0.006 0.000 0.904 488 L HN 0.298 nan 8.230 nan 0.000 0.435 489 S N -1.593 114.168 115.700 0.102 0.000 2.387 489 S HA -0.202 4.269 4.470 0.000 0.000 0.226 489 S C 1.515 176.204 174.600 0.147 0.000 1.026 489 S CA 1.110 59.365 58.200 0.091 0.000 0.972 489 S CB -0.596 62.654 63.200 0.082 0.000 0.814 489 S HN 0.695 nan 8.310 nan 0.000 0.477 490 W N 3.411 124.717 121.300 0.009 0.000 2.335 490 W HA -0.166 4.495 4.660 0.000 0.000 0.311 490 W C 2.059 178.575 176.519 -0.005 0.000 1.213 490 W CA 1.341 58.691 57.345 0.008 0.000 1.274 490 W CB -0.308 29.124 29.460 -0.046 0.000 1.148 490 W HN 0.048 nan 8.180 nan 0.000 0.498 491 R N 0.042 120.418 120.500 -0.206 0.000 2.080 491 R HA -0.181 4.159 4.340 0.000 0.000 0.236 491 R C 2.079 178.234 176.300 -0.241 0.000 1.137 491 R CA 1.658 57.508 56.100 -0.415 0.000 0.943 491 R CB -1.663 28.499 30.300 -0.229 0.000 0.846 491 R HN 0.280 nan 8.270 nan 0.000 0.431 492 L N 0.903 122.055 121.223 -0.119 0.000 1.990 492 L HA -0.153 4.187 4.340 0.000 0.000 0.213 492 L C 2.392 179.201 176.870 -0.101 0.000 1.072 492 L CA 1.767 56.555 54.840 -0.086 0.000 0.755 492 L CB -1.019 41.013 42.059 -0.046 0.000 0.889 492 L HN 0.103 nan 8.230 nan 0.000 0.432 493 S N -2.088 113.555 115.700 -0.096 0.000 2.474 493 S HA -0.094 4.376 4.470 0.000 0.000 0.235 493 S C 1.312 175.728 174.600 -0.307 0.000 0.997 493 S CA 0.629 58.737 58.200 -0.154 0.000 0.949 493 S CB -0.303 62.837 63.200 -0.101 0.000 0.766 493 S HN 0.472 nan 8.310 nan 0.000 0.517 494 H N 0.186 119.121 119.070 -0.225 0.000 2.486 494 H HA 0.450 5.006 4.556 0.000 0.000 0.284 494 H C 0.583 175.789 175.328 -0.203 0.000 1.103 494 H CA -0.161 55.748 56.048 -0.231 0.000 1.089 494 H CB -0.023 29.504 29.762 -0.393 0.000 1.603 494 H HN 0.276 nan 8.280 nan 0.000 0.557 495 A N 1.253 124.014 122.820 -0.099 0.000 2.507 495 A HA -0.049 4.271 4.320 0.000 0.000 0.235 495 A C 0.219 177.784 177.584 -0.031 0.000 1.070 495 A CA -0.150 51.843 52.037 -0.073 0.000 0.768 495 A CB -0.043 18.917 19.000 -0.067 0.000 1.011 495 A HN 0.477 nan 8.150 nan 0.000 0.502 496 D N -0.048 120.348 120.400 -0.006 0.000 2.583 496 D HA 0.049 4.689 4.640 0.000 0.000 0.232 496 D C 0.957 177.279 176.300 0.037 0.000 1.128 496 D CA 0.587 54.605 54.000 0.030 0.000 0.859 496 D CB 0.445 41.276 40.800 0.051 0.000 1.169 496 D HN 0.471 nan 8.370 nan 0.000 0.481 497 R N 2.398 122.927 120.500 0.049 0.000 2.468 497 R HA 0.102 4.442 4.340 0.000 0.000 0.280 497 R C 1.370 177.744 176.300 0.122 0.000 0.963 497 R CA -0.194 55.943 56.100 0.061 0.000 1.083 497 R CB 0.069 30.381 30.300 0.021 0.000 1.200 497 R HN 0.391 nan 8.270 nan 0.000 0.541 498 T N 1.685 116.317 114.554 0.130 0.000 2.653 498 T HA -0.136 4.214 4.350 0.000 0.000 0.268 498 T C 1.470 176.339 174.700 0.281 0.000 1.035 498 T CA 1.349 63.553 62.100 0.174 0.000 1.154 498 T CB 0.009 68.964 68.868 0.145 0.000 0.862 498 T HN 0.255 nan 8.240 nan 0.000 0.441 499 L N 0.613 121.979 121.223 0.239 0.000 3.135 499 L HA 0.216 4.556 4.340 0.000 0.000 0.279 499 L C 2.065 179.017 176.870 0.137 0.000 1.200 499 L CA 0.111 55.108 54.840 0.262 0.000 1.016 499 L CB 0.050 42.217 42.059 0.180 0.000 1.391 499 L HN 0.272 nan 8.230 nan 0.000 0.588 500 T N -4.177 110.466 114.554 0.149 0.000 3.160 500 T HA -0.100 4.250 4.350 0.000 0.000 0.257 500 T C 1.423 176.162 174.700 0.066 0.000 1.147 500 T CA 1.025 63.173 62.100 0.081 0.000 1.064 500 T CB -0.543 68.363 68.868 0.063 0.000 0.949 500 T HN 0.621 nan 8.240 nan 0.000 0.526 501 H N -2.112 116.936 119.070 -0.036 0.000 2.563 501 H HA 0.370 4.926 4.556 0.000 0.000 0.264 501 H C 0.028 175.281 175.328 -0.125 0.000 0.957 501 H CA -0.620 55.362 56.048 -0.111 0.000 1.173 501 H CB -0.348 29.299 29.762 -0.191 0.000 1.420 501 H HN 0.340 nan 8.280 nan 0.000 0.551 502 Y N 1.730 121.737 120.300 -0.488 0.000 2.299 502 Y HA 0.428 4.978 4.550 0.000 0.000 0.335 502 Y C 0.551 176.367 175.900 -0.139 0.000 1.287 502 Y CA -0.538 57.371 58.100 -0.317 0.000 1.424 502 Y CB 0.742 39.015 38.460 -0.313 0.000 1.326 502 Y HN 0.152 nan 8.280 nan 0.000 0.567 503 R N 0.025 120.588 120.500 0.106 0.000 2.707 503 R HA 0.430 4.770 4.340 0.000 0.000 0.272 503 R C -1.090 175.236 176.300 0.042 0.000 1.011 503 R CA -0.966 55.164 56.100 0.050 0.000 0.893 503 R CB 1.769 32.087 30.300 0.029 0.000 1.233 503 R HN 0.766 nan 8.270 nan 0.000 0.464 504 S N -0.156 115.553 115.700 0.016 0.000 2.687 504 S HA 0.801 5.271 4.470 0.000 0.000 0.283 504 S C 0.012 174.617 174.600 0.008 0.000 1.170 504 S CA -0.469 57.735 58.200 0.006 0.000 1.008 504 S CB 1.596 64.791 63.200 -0.008 0.000 1.026 504 S HN 0.729 nan 8.310 nan 0.000 0.541 505 S N -0.674 115.029 115.700 0.006 0.000 2.587 505 S HA 0.531 5.001 4.470 0.000 0.000 0.269 505 S C -2.837 171.765 174.600 0.003 0.000 1.154 505 S CA -1.121 57.083 58.200 0.006 0.000 0.824 505 S CB 0.566 63.772 63.200 0.010 0.000 1.118 505 S HN 0.384 nan 8.310 nan 0.000 0.462 506 P HA -0.096 nan 4.420 nan 0.000 0.217 506 P C 0.769 178.070 177.300 0.002 0.000 1.148 506 P CA 1.442 64.543 63.100 0.001 0.000 0.834 506 P CB -0.043 31.658 31.700 0.002 0.000 0.783 507 Q N -1.553 118.250 119.800 0.005 0.000 2.360 507 Q HA 0.373 4.713 4.340 0.000 0.000 0.202 507 Q C 1.030 177.034 176.000 0.007 0.000 0.915 507 Q CA 0.509 56.315 55.803 0.006 0.000 0.943 507 Q CB 0.229 28.972 28.738 0.008 0.000 1.064 507 Q HN 0.210 nan 8.270 nan 0.000 0.511 508 G N 0.318 109.121 108.800 0.006 0.000 2.466 508 G HA2 -0.183 3.778 3.960 0.000 0.000 0.316 508 G HA3 -0.183 3.778 3.960 0.000 0.000 0.316 508 G C -1.559 173.349 174.900 0.013 0.000 1.270 508 G CA -0.799 44.305 45.100 0.006 0.000 0.982 508 G HN 0.124 nan 8.290 nan 0.000 0.506 509 L N 1.598 122.830 121.223 0.016 0.000 2.410 509 L HA 0.674 5.014 4.340 0.000 0.000 0.273 509 L C 1.276 178.185 176.870 0.066 0.000 1.152 509 L CA 1.471 56.332 54.840 0.034 0.000 0.855 509 L CB 0.745 42.814 42.059 0.015 0.000 1.129 509 L HN 1.464 nan 8.230 nan 0.000 0.463 510 T N 0.239 114.846 114.554 0.088 0.000 2.626 510 T HA 0.696 5.047 4.350 0.000 0.000 0.279 510 T C -0.397 174.355 174.700 0.087 0.000 0.983 510 T CA -0.755 61.392 62.100 0.078 0.000 1.059 510 T CB 1.657 70.550 68.868 0.042 0.000 1.396 510 T HN 0.505 nan 8.240 nan 0.000 0.519 511 T N 1.073 115.646 114.554 0.032 0.000 3.193 511 T HA 0.522 4.872 4.350 0.000 0.000 0.332 511 T C -1.318 173.382 174.700 0.001 0.000 1.208 511 T CA -0.800 61.287 62.100 -0.021 0.000 1.080 511 T CB 1.341 70.185 68.868 -0.041 0.000 1.180 511 T HN 0.537 nan 8.240 nan 0.000 0.469 512 R N 2.220 122.721 120.500 0.003 0.000 2.308 512 R HA 0.463 4.803 4.340 0.000 0.000 0.305 512 R C 1.424 177.730 176.300 0.010 0.000 1.053 512 R CA -0.032 56.074 56.100 0.010 0.000 0.957 512 R CB -0.195 30.112 30.300 0.011 0.000 1.022 512 R HN 0.897 nan 8.270 nan 0.000 0.461 513 N N 0.869 119.568 118.700 -0.003 0.000 2.148 513 N HA -0.093 4.647 4.740 0.000 0.000 0.186 513 N C 1.077 176.577 175.510 -0.017 0.000 1.031 513 N CA 1.696 54.736 53.050 -0.017 0.000 0.848 513 N CB -0.514 37.964 38.487 -0.014 0.000 1.005 513 N HN 0.817 nan 8.380 nan 0.000 0.427 514 H N 0.000 119.065 119.070 -0.009 0.000 2.539 514 H HA 0.000 4.556 4.556 0.000 0.000 0.296 514 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 514 H CB 0.000 29.759 29.762 -0.006 0.000 1.292 514 H HN 0.000 nan 8.280 nan 0.000 0.496