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 3h0r_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.593 176.600 -0.012 0.000 1.382 3 E CA 0.000 56.416 56.400 0.027 0.000 0.976 3 E CB 0.000 29.735 29.700 0.058 0.000 0.812 4 K N 1.045 121.425 120.400 -0.034 0.000 2.305 4 K HA 0.102 4.423 4.320 0.001 0.000 0.199 4 K C 0.228 176.596 176.600 -0.387 0.000 1.047 4 K CA 0.713 56.856 56.287 -0.239 0.000 0.976 4 K CB 0.216 32.493 32.500 -0.371 0.000 0.765 4 K HN 0.337 nan 8.250 nan 0.000 0.474 5 Y N 0.580 120.862 120.300 -0.030 0.000 2.719 5 Y HA 0.353 4.904 4.550 0.001 0.000 0.335 5 Y C 0.055 175.931 175.900 -0.040 0.000 1.198 5 Y CA -0.994 57.084 58.100 -0.036 0.000 1.274 5 Y CB 1.005 39.445 38.460 -0.034 0.000 1.500 5 Y HN -0.157 nan 8.280 nan 0.000 0.616 6 E N -0.056 120.243 120.200 0.165 0.000 2.363 6 E HA 0.632 4.983 4.350 0.001 0.000 0.281 6 E C -1.982 174.644 176.600 0.044 0.000 0.953 6 E CA -0.862 55.573 56.400 0.057 0.000 0.778 6 E CB 1.691 31.392 29.700 0.001 0.000 1.220 6 E HN 0.688 nan 8.360 nan 0.000 0.431 7 A N 2.995 125.826 122.820 0.018 0.000 2.276 7 A HA 0.564 4.884 4.320 0.001 0.000 0.316 7 A C -0.780 176.808 177.584 0.007 0.000 1.229 7 A CA -0.540 51.502 52.037 0.008 0.000 0.851 7 A CB 1.011 20.010 19.000 -0.002 0.000 1.165 7 A HN 0.268 nan 8.150 nan 0.000 0.513 8 V N 4.630 124.558 119.914 0.024 0.000 2.328 8 V HA 0.367 4.487 4.120 0.001 0.000 0.278 8 V C -0.295 175.830 176.094 0.053 0.000 1.021 8 V CA -0.026 62.306 62.300 0.053 0.000 0.838 8 V CB 0.504 32.401 31.823 0.123 0.000 0.999 8 V HN 0.715 nan 8.190 nan 0.000 0.447 9 I N 3.866 124.449 120.570 0.021 0.000 2.404 9 I HA 0.783 4.954 4.170 0.001 0.000 0.293 9 I C 0.671 176.768 176.117 -0.034 0.000 0.992 9 I CA -0.276 61.020 61.300 -0.007 0.000 1.149 9 I CB 2.042 40.026 38.000 -0.026 0.000 1.315 9 I HN 0.680 nan 8.210 nan 0.000 0.446 10 G N 6.381 115.158 108.800 -0.039 0.000 2.524 10 G HA2 0.813 4.774 3.960 0.001 0.000 0.310 10 G HA3 0.813 4.774 3.960 0.001 0.000 0.310 10 G C -1.179 173.677 174.900 -0.074 0.000 1.279 10 G CA -0.545 44.508 45.100 -0.077 0.000 0.974 10 G HN 0.415 nan 8.290 nan 0.000 0.484 11 L N 0.448 121.604 121.223 -0.110 0.000 2.370 11 L HA 0.584 4.924 4.340 0.001 0.000 0.266 11 L C -0.465 176.390 176.870 -0.025 0.000 1.002 11 L CA -0.873 53.935 54.840 -0.053 0.000 0.818 11 L CB 2.792 44.819 42.059 -0.053 0.000 1.325 11 L HN 0.465 nan 8.230 nan 0.000 0.418 12 E N 2.888 123.103 120.200 0.025 0.000 2.207 12 E HA 0.459 4.810 4.350 0.001 0.000 0.250 12 E C -1.329 175.307 176.600 0.060 0.000 0.890 12 E CA -0.476 55.937 56.400 0.021 0.000 0.749 12 E CB 2.158 31.892 29.700 0.057 0.000 1.193 12 E HN 0.313 nan 8.360 nan 0.000 0.423 13 I N 2.272 122.843 120.570 0.002 0.000 2.392 13 I HA 0.211 4.382 4.170 0.001 0.000 0.295 13 I C -0.429 175.640 176.117 -0.080 0.000 0.985 13 I CA -0.508 60.826 61.300 0.057 0.000 1.221 13 I CB 0.923 38.982 38.000 0.098 0.000 1.366 13 I HN 0.407 nan 8.210 nan 0.000 0.467 14 H N 4.434 123.524 119.070 0.034 0.000 2.595 14 H HA 0.559 5.115 4.556 0.001 0.000 0.313 14 H C -0.865 174.476 175.328 0.022 0.000 1.023 14 H CA -0.558 55.499 56.048 0.016 0.000 1.218 14 H CB 1.277 31.055 29.762 0.027 0.000 1.403 14 H HN 0.231 nan 8.280 nan 0.000 0.477 15 V N 3.781 123.745 119.914 0.085 0.000 2.427 15 V HA 0.171 4.291 4.120 0.001 0.000 0.286 15 V C 0.156 176.286 176.094 0.059 0.000 1.034 15 V CA -0.812 61.523 62.300 0.060 0.000 0.893 15 V CB 1.542 33.381 31.823 0.026 0.000 0.982 15 V HN 0.743 nan 8.190 nan 0.000 0.452 16 Q N 4.859 124.687 119.800 0.047 0.000 2.294 16 Q HA 0.461 4.802 4.340 0.001 0.000 0.257 16 Q C -0.569 175.458 176.000 0.044 0.000 0.955 16 Q CA -0.455 55.371 55.803 0.038 0.000 0.936 16 Q CB 0.870 29.615 28.738 0.012 0.000 1.188 16 Q HN 0.707 nan 8.270 nan 0.000 0.420 17 M N 2.990 122.625 119.600 0.058 0.000 2.217 17 M HA 0.047 4.528 4.480 0.001 0.000 0.354 17 M C 0.027 176.387 176.300 0.100 0.000 1.225 17 M CA -0.088 55.274 55.300 0.103 0.000 1.137 17 M CB 0.567 33.231 32.600 0.106 0.000 1.576 17 M HN 0.544 nan 8.290 nan 0.000 0.461 18 D N 2.985 123.491 120.400 0.177 0.000 2.934 18 D HA 0.052 4.693 4.640 0.001 0.000 0.237 18 D C -0.024 176.364 176.300 0.147 0.000 1.158 18 D CA -0.111 53.982 54.000 0.154 0.000 0.971 18 D CB 0.073 40.968 40.800 0.159 0.000 1.123 18 D HN 0.622 nan 8.370 nan 0.000 0.467 19 T N -2.371 112.189 114.554 0.010 0.000 2.862 19 T HA 0.294 4.645 4.350 0.001 0.000 0.276 19 T C 1.285 175.962 174.700 -0.038 0.000 0.974 19 T CA -0.673 61.368 62.100 -0.099 0.000 0.966 19 T CB 1.676 70.430 68.868 -0.189 0.000 1.072 19 T HN 0.018 nan 8.240 nan 0.000 0.538 20 K N -0.224 120.147 120.400 -0.049 0.000 2.186 20 K HA 0.109 4.429 4.320 0.001 0.000 0.202 20 K C 0.740 177.325 176.600 -0.026 0.000 1.052 20 K CA 0.620 56.894 56.287 -0.021 0.000 0.965 20 K CB 0.054 32.544 32.500 -0.017 0.000 0.746 20 K HN 0.504 nan 8.250 nan 0.000 0.457 21 T N 0.985 115.509 114.554 -0.049 0.000 2.940 21 T HA 0.261 4.612 4.350 0.001 0.000 0.288 21 T C -0.202 174.459 174.700 -0.065 0.000 1.033 21 T CA -0.664 61.407 62.100 -0.049 0.000 1.033 21 T CB 1.985 70.822 68.868 -0.053 0.000 1.079 21 T HN -0.060 nan 8.240 nan 0.000 0.496 22 K N 1.120 121.486 120.400 -0.056 0.000 2.143 22 K HA 0.178 4.499 4.320 0.001 0.000 0.239 22 K C 1.316 177.821 176.600 -0.159 0.000 1.048 22 K CA -0.469 55.773 56.287 -0.076 0.000 0.867 22 K CB 0.155 32.632 32.500 -0.038 0.000 1.088 22 K HN 0.416 nan 8.250 nan 0.000 0.510 23 M N 0.137 119.582 119.600 -0.257 0.000 2.175 23 M HA -0.017 4.463 4.480 0.001 0.000 0.264 23 M C 0.313 176.097 176.300 -0.860 0.000 1.063 23 M CA 1.869 56.804 55.300 -0.610 0.000 1.119 23 M CB 0.258 32.367 32.600 -0.819 0.000 1.377 23 M HN 0.518 nan 8.290 nan 0.000 0.415 24 F N -0.769 119.137 119.950 -0.074 0.000 2.775 24 F HA 0.326 4.854 4.527 0.001 0.000 0.313 24 F C 0.186 175.950 175.800 -0.059 0.000 1.121 24 F CA -0.885 57.062 58.000 -0.089 0.000 1.206 24 F CB -0.008 38.922 39.000 -0.116 0.000 1.052 24 F HN 0.278 nan 8.300 nan 0.000 0.524 25 C N -3.106 116.226 119.300 0.054 0.000 3.275 25 C HA 0.723 5.184 4.460 0.001 0.000 0.340 25 C C 1.223 176.212 174.990 -0.001 0.000 1.366 25 C CA -0.519 58.519 59.018 0.033 0.000 1.227 25 C CB 1.133 28.896 27.740 0.039 0.000 1.512 25 C HN 0.312 nan 8.230 nan 0.000 0.461 26 G N -0.351 108.449 108.800 -0.000 0.000 3.026 26 G HA2 0.283 4.244 3.960 0.001 0.000 0.208 26 G HA3 0.283 4.244 3.960 0.001 0.000 0.208 26 G C 0.491 175.386 174.900 -0.007 0.000 1.169 26 G CA 0.281 45.376 45.100 -0.009 0.000 0.788 26 G HN 1.041 nan 8.290 nan 0.000 0.533 27 C N 0.864 120.162 119.300 -0.004 0.000 2.703 27 C HA 0.234 4.695 4.460 0.001 0.000 0.411 27 C C 1.011 175.999 174.990 -0.004 0.000 1.290 27 C CA -0.527 58.490 59.018 -0.001 0.000 2.054 27 C CB 0.439 28.181 27.740 0.003 0.000 2.732 27 C HN 0.362 nan 8.230 nan 0.000 0.650 28 K N 1.175 121.576 120.400 0.002 0.000 2.218 28 K HA 0.415 4.736 4.320 0.001 0.000 0.276 28 K C -0.763 175.844 176.600 0.012 0.000 1.022 28 K CA -0.274 56.016 56.287 0.005 0.000 0.946 28 K CB 0.798 33.303 32.500 0.010 0.000 1.000 28 K HN 0.424 nan 8.250 nan 0.000 0.468 29 V N 3.877 123.799 119.914 0.013 0.000 2.350 29 V HA 0.188 4.309 4.120 0.001 0.000 0.276 29 V C -0.467 175.657 176.094 0.049 0.000 1.028 29 V CA -0.339 61.978 62.300 0.029 0.000 0.860 29 V CB 0.561 32.393 31.823 0.016 0.000 0.990 29 V HN 0.864 nan 8.190 nan 0.000 0.453 30 E N 4.521 124.768 120.200 0.078 0.000 2.378 30 E HA 0.485 4.836 4.350 0.001 0.000 0.283 30 E C -1.320 175.393 176.600 0.188 0.000 0.979 30 E CA -0.861 55.604 56.400 0.108 0.000 0.795 30 E CB 1.657 31.399 29.700 0.070 0.000 1.221 30 E HN 0.262 nan 8.360 nan 0.000 0.428 31 F N 1.538 121.493 119.950 0.008 0.000 2.375 31 F HA 0.665 5.192 4.527 0.001 0.000 0.313 31 F C 1.392 177.195 175.800 0.005 0.000 1.176 31 F CA 1.269 59.273 58.000 0.007 0.000 1.142 31 F CB 1.143 40.148 39.000 0.009 0.000 1.275 31 F HN 0.870 nan 8.300 nan 0.000 0.544 32 G N 1.181 109.594 108.800 -0.645 0.000 2.848 32 G HA2 0.247 4.207 3.960 0.001 0.000 0.246 32 G HA3 0.247 4.207 3.960 0.001 0.000 0.246 32 G C -0.596 174.128 174.900 -0.293 0.000 1.374 32 G CA 0.208 45.050 45.100 -0.430 0.000 0.982 32 G HN 1.555 nan 8.290 nan 0.000 0.563 33 A N -0.926 121.812 122.820 -0.136 0.000 3.434 33 A HA 0.792 5.112 4.320 0.001 0.000 0.247 33 A C -0.005 177.546 177.584 -0.055 0.000 1.075 33 A CA 0.716 52.692 52.037 -0.101 0.000 0.737 33 A CB -0.226 18.722 19.000 -0.087 0.000 1.412 33 A HN 1.045 nan 8.150 nan 0.000 0.691 34 E N 1.954 122.128 120.200 -0.043 0.000 2.966 34 E HA 0.037 4.388 4.350 0.001 0.000 0.254 34 E C -2.111 174.473 176.600 -0.028 0.000 0.923 34 E CA -0.613 55.766 56.400 -0.035 0.000 0.960 34 E CB -0.132 29.552 29.700 -0.026 0.000 0.901 34 E HN 0.268 nan 8.360 nan 0.000 0.525 35 P HA -0.168 nan 4.420 nan 0.000 0.265 35 P C -0.474 176.816 177.300 -0.017 0.000 1.187 35 P CA 0.110 63.197 63.100 -0.022 0.000 0.766 35 P CB 0.439 32.123 31.700 -0.026 0.000 0.820 36 N N -0.219 118.473 118.700 -0.012 0.000 2.705 36 N HA -0.161 4.580 4.740 0.001 0.000 0.255 36 N C 0.796 176.301 175.510 -0.009 0.000 1.008 36 N CA 1.254 54.298 53.050 -0.010 0.000 0.742 36 N CB -1.575 36.904 38.487 -0.013 0.000 0.906 36 N HN 0.578 nan 8.380 nan 0.000 0.541 37 T N -1.284 113.266 114.554 -0.006 0.000 3.114 37 T HA 0.091 4.441 4.350 0.001 0.000 0.240 37 T C 0.439 175.137 174.700 -0.002 0.000 0.983 37 T CA 0.293 62.389 62.100 -0.006 0.000 1.151 37 T CB 0.284 69.147 68.868 -0.008 0.000 0.974 37 T HN 0.216 nan 8.240 nan 0.000 0.442 38 N N 2.250 120.952 118.700 0.002 0.000 2.719 38 N HA 0.446 5.187 4.740 0.001 0.000 0.243 38 N C -1.129 174.383 175.510 0.005 0.000 1.104 38 N CA 0.125 53.178 53.050 0.005 0.000 0.981 38 N CB 1.332 39.825 38.487 0.010 0.000 1.290 38 N HN 0.191 nan 8.380 nan 0.000 0.513 39 V N 0.501 120.416 119.914 0.002 0.000 3.206 39 V HA 0.555 4.676 4.120 0.001 0.000 0.305 39 V C -1.155 174.939 176.094 -0.001 0.000 1.257 39 V CA -0.627 61.673 62.300 0.000 0.000 1.057 39 V CB 2.902 34.723 31.823 -0.003 0.000 1.075 39 V HN 0.623 nan 8.190 nan 0.000 0.443 40 C N 3.097 122.396 119.300 -0.002 0.000 3.241 40 C HA 0.493 4.953 4.460 0.001 0.000 0.348 40 C C -2.014 172.973 174.990 -0.006 0.000 1.180 40 C CA -0.859 58.158 59.018 -0.001 0.000 1.273 40 C CB 1.922 29.665 27.740 0.004 0.000 1.620 40 C HN 0.756 nan 8.230 nan 0.000 0.510 41 P HA -0.130 nan 4.420 nan 0.000 0.217 41 P C 1.396 178.688 177.300 -0.012 0.000 1.148 41 P CA 1.563 64.658 63.100 -0.008 0.000 0.834 41 P CB 0.201 31.899 31.700 -0.004 0.000 0.783 42 V N 0.010 119.921 119.914 -0.005 0.000 2.273 42 V HA -0.204 3.917 4.120 0.001 0.000 0.242 42 V C 2.619 178.705 176.094 -0.012 0.000 1.035 42 V CA 2.204 64.501 62.300 -0.004 0.000 1.013 42 V CB -1.410 30.424 31.823 0.017 0.000 0.652 42 V HN 0.268 nan 8.190 nan 0.000 0.452 43 C N -0.769 118.532 119.300 0.002 0.000 2.500 43 C HA 0.164 4.625 4.460 0.001 0.000 0.273 43 C C 2.236 177.211 174.990 -0.024 0.000 1.428 43 C CA -0.113 58.905 59.018 -0.000 0.000 1.766 43 C CB -1.661 26.090 27.740 0.017 0.000 1.817 43 C HN 0.502 nan 8.230 nan 0.000 0.543 44 L N 1.612 122.819 121.223 -0.026 0.000 2.599 44 L HA 0.220 4.560 4.340 0.001 0.000 0.230 44 L C 1.919 178.757 176.870 -0.053 0.000 1.141 44 L CA 0.819 55.639 54.840 -0.034 0.000 0.877 44 L CB -0.814 41.232 42.059 -0.023 0.000 1.009 44 L HN 0.590 nan 8.230 nan 0.000 0.447 45 G N 1.285 110.042 108.800 -0.071 0.000 2.386 45 G HA2 -0.317 3.644 3.960 0.001 0.000 0.295 45 G HA3 -0.317 3.644 3.960 0.001 0.000 0.295 45 G C 0.165 175.028 174.900 -0.062 0.000 0.979 45 G CA 0.176 45.215 45.100 -0.100 0.000 1.193 45 G HN 0.249 nan 8.290 nan 0.000 0.508 46 M N 0.086 119.663 119.600 -0.038 0.000 2.291 46 M HA 0.318 4.798 4.480 0.001 0.000 0.324 46 M C -1.727 174.566 176.300 -0.012 0.000 1.148 46 M CA -1.815 53.472 55.300 -0.021 0.000 1.104 46 M CB 0.734 33.326 32.600 -0.014 0.000 1.483 46 M HN -0.020 nan 8.290 nan 0.000 0.467 47 P HA 0.117 nan 4.420 nan 0.000 0.267 47 P C 0.378 177.683 177.300 0.009 0.000 1.205 47 P CA 0.649 63.754 63.100 0.009 0.000 0.765 47 P CB 0.394 32.101 31.700 0.011 0.000 0.828 48 G N 1.860 110.668 108.800 0.014 0.000 2.176 48 G HA2 -0.129 3.831 3.960 0.001 0.000 0.253 48 G HA3 -0.129 3.831 3.960 0.001 0.000 0.253 48 G C 0.329 175.234 174.900 0.009 0.000 0.979 48 G CA -0.067 45.041 45.100 0.014 0.000 0.641 48 G HN 0.858 nan 8.290 nan 0.000 0.530 49 A N 0.357 123.179 122.820 0.004 0.000 2.301 49 A HA 0.804 5.125 4.320 0.001 0.000 0.298 49 A C 0.269 177.850 177.584 -0.004 0.000 1.185 49 A CA -0.249 51.787 52.037 -0.002 0.000 0.830 49 A CB 0.578 19.572 19.000 -0.009 0.000 1.112 49 A HN 0.764 nan 8.150 nan 0.000 0.508 50 L N 3.747 124.968 121.223 -0.004 0.000 2.334 50 L HA 0.560 4.900 4.340 0.001 0.000 0.273 50 L C -2.149 174.711 176.870 -0.017 0.000 1.013 50 L CA -2.075 52.757 54.840 -0.013 0.000 0.816 50 L CB 2.210 44.267 42.059 -0.005 0.000 1.278 50 L HN 0.517 nan 8.230 nan 0.000 0.431 51 P HA 0.542 nan 4.420 nan 0.000 0.290 51 P C -1.198 176.126 177.300 0.041 0.000 1.275 51 P CA -0.445 62.630 63.100 -0.042 0.000 0.841 51 P CB 1.997 33.481 31.700 -0.360 0.000 1.042 52 I N 1.406 122.074 120.570 0.162 0.000 2.534 52 I HA 0.188 4.359 4.170 0.001 0.000 0.288 52 I C -0.116 176.107 176.117 0.176 0.000 1.077 52 I CA -0.965 60.417 61.300 0.136 0.000 1.051 52 I CB 2.224 40.266 38.000 0.070 0.000 1.234 52 I HN 0.007 nan 8.210 nan 0.000 0.425 53 V N 5.318 125.323 119.914 0.150 0.000 2.521 53 V HA 0.100 4.220 4.120 0.001 0.000 0.286 53 V C 0.524 176.617 176.094 -0.002 0.000 1.034 53 V CA -0.289 62.057 62.300 0.078 0.000 1.045 53 V CB 0.842 32.761 31.823 0.160 0.000 0.974 53 V HN 0.739 nan 8.190 nan 0.000 0.480 54 N N 4.625 123.257 118.700 -0.113 0.000 2.431 54 N HA 0.041 4.781 4.740 0.001 0.000 0.265 54 N C 0.959 176.462 175.510 -0.012 0.000 1.184 54 N CA 0.231 53.230 53.050 -0.085 0.000 0.943 54 N CB 0.805 39.195 38.487 -0.161 0.000 1.080 54 N HN 0.708 nan 8.380 nan 0.000 0.477 55 K N 3.770 124.185 120.400 0.024 0.000 2.057 55 K HA -0.139 4.181 4.320 0.001 0.000 0.207 55 K C 1.825 178.499 176.600 0.123 0.000 1.049 55 K CA 1.057 57.408 56.287 0.106 0.000 0.931 55 K CB 0.074 32.611 32.500 0.062 0.000 0.714 55 K HN 0.527 nan 8.250 nan 0.000 0.440 56 R N 0.038 120.527 120.500 -0.018 0.000 2.081 56 R HA -0.124 4.217 4.340 0.001 0.000 0.235 56 R C 2.146 178.306 176.300 -0.233 0.000 1.131 56 R CA 1.378 57.381 56.100 -0.161 0.000 0.960 56 R CB -0.308 29.778 30.300 -0.356 0.000 0.856 56 R HN 0.284 nan 8.270 nan 0.000 0.436 57 A N 0.246 122.962 122.820 -0.174 0.000 1.892 57 A HA -0.161 4.160 4.320 0.001 0.000 0.218 57 A C 2.261 179.852 177.584 0.012 0.000 1.188 57 A CA 1.891 53.865 52.037 -0.106 0.000 0.631 57 A CB -0.779 18.156 19.000 -0.108 0.000 0.822 57 A HN 0.229 nan 8.150 nan 0.000 0.447 58 V N 0.310 120.264 119.914 0.066 0.000 2.255 58 V HA -0.304 3.816 4.120 0.001 0.000 0.247 58 V C 2.633 178.715 176.094 -0.019 0.000 1.051 58 V CA 2.413 64.770 62.300 0.095 0.000 1.018 58 V CB -0.783 31.183 31.823 0.238 0.000 0.641 58 V HN 0.786 nan 8.190 nan 0.000 0.445 59 E N -0.565 119.659 120.200 0.040 0.000 2.058 59 E HA -0.252 4.098 4.350 0.001 0.000 0.194 59 E C 2.260 178.915 176.600 0.092 0.000 0.997 59 E CA 1.710 58.082 56.400 -0.047 0.000 0.801 59 E CB -0.206 29.651 29.700 0.263 0.000 0.746 59 E HN 0.658 nan 8.360 nan 0.000 0.450 60 Y N 0.183 120.450 120.300 -0.055 0.000 2.274 60 Y HA -0.076 4.474 4.550 0.001 0.000 0.290 60 Y C 2.357 178.211 175.900 -0.077 0.000 1.145 60 Y CA 0.810 58.877 58.100 -0.056 0.000 1.203 60 Y CB -0.958 37.487 38.460 -0.024 0.000 0.984 60 Y HN 0.166 nan 8.280 nan 0.000 0.533 61 A N -0.627 122.242 122.820 0.082 0.000 2.016 61 A HA -0.025 4.296 4.320 0.001 0.000 0.217 61 A C 2.255 179.802 177.584 -0.062 0.000 1.162 61 A CA 0.970 53.014 52.037 0.013 0.000 0.662 61 A CB -0.730 18.288 19.000 0.029 0.000 0.812 61 A HN 0.410 nan 8.150 nan 0.000 0.450 62 I N -1.385 119.108 120.570 -0.129 0.000 2.296 62 I HA -0.119 4.052 4.170 0.001 0.000 0.242 62 I C 2.557 178.568 176.117 -0.177 0.000 1.087 62 I CA 1.103 62.281 61.300 -0.203 0.000 1.393 62 I CB -0.283 37.488 38.000 -0.382 0.000 1.093 62 I HN 0.314 nan 8.210 nan 0.000 0.421 63 R N 1.433 121.837 120.500 -0.160 0.000 2.113 63 R HA -0.261 4.080 4.340 0.001 0.000 0.244 63 R C 2.286 178.507 176.300 -0.131 0.000 1.142 63 R CA 2.118 58.134 56.100 -0.140 0.000 0.953 63 R CB -0.337 29.882 30.300 -0.135 0.000 0.860 63 R HN 0.396 nan 8.270 nan 0.000 0.438 64 A N -0.190 122.564 122.820 -0.110 0.000 1.898 64 A HA -0.117 4.203 4.320 0.001 0.000 0.216 64 A C 2.208 179.721 177.584 -0.118 0.000 1.181 64 A CA 1.811 53.785 52.037 -0.105 0.000 0.620 64 A CB -0.576 18.380 19.000 -0.073 0.000 0.819 64 A HN 0.465 nan 8.150 nan 0.000 0.442 65 S N 0.161 115.792 115.700 -0.116 0.000 2.365 65 S HA -0.167 4.303 4.470 0.001 0.000 0.225 65 S C 1.864 176.360 174.600 -0.172 0.000 1.039 65 S CA 1.637 59.760 58.200 -0.129 0.000 1.033 65 S CB -0.561 62.569 63.200 -0.118 0.000 0.887 65 S HN 0.500 nan 8.310 nan 0.000 0.447 66 L N 1.234 122.354 121.223 -0.173 0.000 1.994 66 L HA -0.151 4.189 4.340 0.001 0.000 0.208 66 L C 2.834 179.578 176.870 -0.211 0.000 1.071 66 L CA 1.287 56.014 54.840 -0.189 0.000 0.745 66 L CB -0.824 41.139 42.059 -0.159 0.000 0.892 66 L HN 0.350 nan 8.230 nan 0.000 0.431 67 A N -0.217 122.497 122.820 -0.177 0.000 2.084 67 A HA -0.164 4.156 4.320 0.001 0.000 0.221 67 A C 1.927 179.375 177.584 -0.225 0.000 1.161 67 A CA 1.466 53.397 52.037 -0.176 0.000 0.653 67 A CB -0.649 18.268 19.000 -0.138 0.000 0.802 67 A HN 0.477 nan 8.150 nan 0.000 0.457 68 L N -1.144 119.932 121.223 -0.245 0.000 2.818 68 L HA 0.144 4.484 4.340 0.001 0.000 0.243 68 L C -0.001 176.579 176.870 -0.483 0.000 1.185 68 L CA -0.255 54.410 54.840 -0.292 0.000 0.988 68 L CB -0.281 41.671 42.059 -0.178 0.000 1.292 68 L HN 0.349 nan 8.230 nan 0.000 0.519 69 N N -1.281 117.074 118.700 -0.575 0.000 2.741 69 N HA -0.174 4.567 4.740 0.001 0.000 0.251 69 N C -0.029 175.132 175.510 -0.583 0.000 1.112 69 N CA 0.620 53.148 53.050 -0.869 0.000 0.750 69 N CB -2.049 35.184 38.487 -2.089 0.000 1.119 69 N HN 0.312 nan 8.380 nan 0.000 0.561 70 C N 1.261 120.363 119.300 -0.330 0.000 2.536 70 C HA 0.238 4.699 4.460 0.001 0.000 0.396 70 C C 1.481 176.362 174.990 -0.183 0.000 1.279 70 C CA -0.754 58.151 59.018 -0.189 0.000 2.148 70 C CB 0.811 28.467 27.740 -0.141 0.000 2.584 70 C HN 0.282 nan 8.230 nan 0.000 0.579 71 E N 1.628 121.733 120.200 -0.158 0.000 2.351 71 E HA 0.211 4.561 4.350 0.001 0.000 0.266 71 E C -0.755 175.614 176.600 -0.385 0.000 1.031 71 E CA 0.152 56.402 56.400 -0.250 0.000 0.911 71 E CB 0.394 29.943 29.700 -0.252 0.000 0.986 71 E HN 0.445 nan 8.360 nan 0.000 0.446 72 V N 7.304 127.024 119.914 -0.323 0.000 2.368 72 V HA 0.109 4.229 4.120 0.001 0.000 0.266 72 V C 0.066 175.974 176.094 -0.309 0.000 1.045 72 V CA -0.637 61.500 62.300 -0.272 0.000 0.899 72 V CB 0.491 32.212 31.823 -0.171 0.000 1.006 72 V HN 0.684 nan 8.190 nan 0.000 0.470 73 H N 4.240 123.282 119.070 -0.046 0.000 2.803 73 H HA 0.087 4.644 4.556 0.001 0.000 0.330 73 H C 1.095 176.407 175.328 -0.027 0.000 1.057 73 H CA -0.012 56.015 56.048 -0.036 0.000 1.458 73 H CB 1.510 31.247 29.762 -0.042 0.000 1.470 73 H HN 0.752 nan 8.280 nan 0.000 0.560 74 E N 3.011 123.265 120.200 0.089 0.000 2.150 74 E HA -0.147 4.204 4.350 0.001 0.000 0.193 74 E C -0.008 176.632 176.600 0.066 0.000 0.985 74 E CA 0.820 57.259 56.400 0.065 0.000 0.814 74 E CB 0.390 30.123 29.700 0.055 0.000 0.752 74 E HN 0.673 nan 8.360 nan 0.000 0.466 75 E N 0.758 120.994 120.200 0.060 0.000 2.158 75 E HA 0.241 4.591 4.350 0.001 0.000 0.271 75 E C -1.370 175.223 176.600 -0.012 0.000 0.911 75 E CA -0.463 55.951 56.400 0.024 0.000 0.767 75 E CB 1.331 31.038 29.700 0.012 0.000 1.120 75 E HN 0.159 nan 8.360 nan 0.000 0.405 76 S N 1.629 117.297 115.700 -0.054 0.000 2.627 76 S HA 0.693 5.164 4.470 0.001 0.000 0.283 76 S C -1.004 173.477 174.600 -0.199 0.000 1.127 76 S CA -0.810 57.311 58.200 -0.131 0.000 0.863 76 S CB 1.895 65.009 63.200 -0.143 0.000 1.121 76 S HN 0.218 nan 8.310 nan 0.000 0.479 77 V N 1.730 121.500 119.914 -0.240 0.000 2.577 77 V HA 0.463 4.583 4.120 0.001 0.000 0.303 77 V C -1.172 174.770 176.094 -0.253 0.000 1.042 77 V CA -0.702 61.477 62.300 -0.201 0.000 0.872 77 V CB 1.220 32.990 31.823 -0.088 0.000 0.998 77 V HN 0.889 nan 8.190 nan 0.000 0.423 78 F N 3.172 123.128 119.950 0.010 0.000 2.504 78 F HA 0.566 5.094 4.527 0.001 0.000 0.369 78 F C 0.883 176.635 175.800 -0.080 0.000 1.082 78 F CA 0.231 58.231 58.000 -0.001 0.000 1.216 78 F CB 0.791 39.801 39.000 0.017 0.000 1.108 78 F HN 0.597 nan 8.300 nan 0.000 0.554 79 A N 4.930 127.817 122.820 0.111 0.000 2.337 79 A HA 0.720 5.040 4.320 0.001 0.000 0.331 79 A C -0.263 177.278 177.584 -0.072 0.000 1.137 79 A CA -0.994 51.045 52.037 0.004 0.000 0.807 79 A CB 0.968 20.056 19.000 0.146 0.000 1.250 79 A HN 0.789 nan 8.150 nan 0.000 0.468 80 R N 0.958 121.282 120.500 -0.295 0.000 2.308 80 R HA 0.327 4.667 4.340 0.001 0.000 0.305 80 R C -0.418 175.672 176.300 -0.350 0.000 1.053 80 R CA -0.224 55.615 56.100 -0.436 0.000 0.957 80 R CB 1.018 30.783 30.300 -0.892 0.000 1.022 80 R HN 0.640 nan 8.270 nan 0.000 0.461 81 K N 3.295 123.500 120.400 -0.326 0.000 2.449 81 K HA 0.184 4.504 4.320 0.001 0.000 0.257 81 K C -1.174 175.307 176.600 -0.198 0.000 0.989 81 K CA -0.623 55.432 56.287 -0.387 0.000 0.916 81 K CB 0.612 32.911 32.500 -0.336 0.000 1.136 81 K HN 0.593 nan 8.250 nan 0.000 0.439 82 H N 3.240 122.337 119.070 0.045 0.000 2.580 82 H HA 0.277 4.834 4.556 0.001 0.000 0.322 82 H C -0.985 174.486 175.328 0.238 0.000 1.082 82 H CA 0.138 56.234 56.048 0.080 0.000 1.383 82 H CB 0.555 30.314 29.762 -0.005 0.000 1.450 82 H HN 0.512 nan 8.280 nan 0.000 0.505 83 Y N 0.227 120.510 120.300 -0.029 0.000 2.620 83 Y HA 0.396 4.946 4.550 0.001 0.000 0.331 83 Y C -2.297 173.538 175.900 -0.108 0.000 1.173 83 Y CA -1.887 56.203 58.100 -0.017 0.000 1.076 83 Y CB 0.261 38.808 38.460 0.145 0.000 1.336 83 Y HN 0.338 nan 8.280 nan 0.000 0.459 84 F N 3.270 123.333 119.950 0.188 0.000 2.404 84 F HA 0.660 5.187 4.527 0.001 0.000 0.354 84 F C -0.770 175.180 175.800 0.250 0.000 1.122 84 F CA -0.446 57.617 58.000 0.106 0.000 1.080 84 F CB 1.218 40.285 39.000 0.112 0.000 1.131 84 F HN 0.570 nan 8.300 nan 0.000 0.471 85 Y N 4.566 124.927 120.300 0.102 0.000 2.409 85 Y HA 0.246 4.796 4.550 0.001 0.000 0.321 85 Y C -2.208 173.713 175.900 0.035 0.000 1.209 85 Y CA -2.306 55.860 58.100 0.109 0.000 1.086 85 Y CB 1.850 40.421 38.460 0.186 0.000 1.320 85 Y HN 0.236 nan 8.280 nan 0.000 0.440 86 P HA -0.193 nan 4.420 nan 0.000 0.218 86 P C 0.620 177.862 177.300 -0.097 0.000 1.150 86 P CA 2.276 65.268 63.100 -0.180 0.000 0.841 86 P CB 0.261 31.789 31.700 -0.287 0.000 0.784 87 D N -2.108 118.266 120.400 -0.043 0.000 2.328 87 D HA 0.019 4.660 4.640 0.001 0.000 0.226 87 D C 0.190 176.503 176.300 0.022 0.000 1.066 87 D CA 0.085 54.100 54.000 0.026 0.000 0.861 87 D CB -0.574 40.282 40.800 0.093 0.000 0.912 87 D HN 0.117 nan 8.370 nan 0.000 0.521 88 L N 0.875 122.085 121.223 -0.021 0.000 2.337 88 L HA 0.397 4.738 4.340 0.001 0.000 0.269 88 L C -2.000 174.778 176.870 -0.154 0.000 1.018 88 L CA -1.958 52.807 54.840 -0.126 0.000 0.876 88 L CB 1.938 43.816 42.059 -0.301 0.000 1.236 88 L HN -0.295 nan 8.230 nan 0.000 0.436 89 P HA -0.081 nan 4.420 nan 0.000 0.218 89 P C 0.740 177.928 177.300 -0.186 0.000 1.149 89 P CA 1.302 64.325 63.100 -0.128 0.000 0.817 89 P CB 0.286 31.923 31.700 -0.106 0.000 0.785 90 K N -2.252 117.952 120.400 -0.327 0.000 2.323 90 K HA 0.208 4.528 4.320 0.001 0.000 0.197 90 K C 1.375 177.713 176.600 -0.436 0.000 1.043 90 K CA 0.811 56.795 56.287 -0.505 0.000 0.997 90 K CB -0.131 31.748 32.500 -1.036 0.000 0.807 90 K HN 0.147 nan 8.250 nan 0.000 0.497 91 G N 0.993 109.568 108.800 -0.376 0.000 2.194 91 G HA2 -0.266 3.695 3.960 0.001 0.000 0.236 91 G HA3 -0.266 3.695 3.960 0.001 0.000 0.236 91 G C -0.171 174.547 174.900 -0.303 0.000 0.987 91 G CA 0.489 45.373 45.100 -0.360 0.000 0.635 91 G HN 0.398 nan 8.290 nan 0.000 0.520 92 Y N -1.407 118.719 120.300 -0.289 0.000 2.588 92 Y HA 0.818 5.369 4.550 0.001 0.000 0.343 92 Y C -0.537 175.211 175.900 -0.252 0.000 1.065 92 Y CA -1.277 56.622 58.100 -0.336 0.000 1.038 92 Y CB 1.126 39.296 38.460 -0.482 0.000 1.297 92 Y HN 0.201 nan 8.280 nan 0.000 0.467 93 Q N 2.908 122.721 119.800 0.022 0.000 2.307 93 Q HA 0.508 4.849 4.340 0.001 0.000 0.262 93 Q C -1.320 174.761 176.000 0.135 0.000 0.961 93 Q CA -0.789 55.057 55.803 0.072 0.000 0.882 93 Q CB 1.339 30.158 28.738 0.135 0.000 1.264 93 Q HN 0.881 nan 8.270 nan 0.000 0.446 94 I N 4.247 124.905 120.570 0.148 0.000 2.406 94 I HA 0.054 4.224 4.170 0.001 0.000 0.293 94 I C 0.441 176.719 176.117 0.269 0.000 1.101 94 I CA 0.167 61.537 61.300 0.116 0.000 1.334 94 I CB 0.157 38.076 38.000 -0.135 0.000 1.421 94 I HN 0.703 nan 8.210 nan 0.000 0.513 95 S N 5.487 121.345 115.700 0.264 0.000 3.728 95 S HA 0.589 5.059 4.470 0.001 0.000 0.253 95 S C -0.544 174.198 174.600 0.236 0.000 1.032 95 S CA -0.820 57.574 58.200 0.323 0.000 1.323 95 S CB 1.394 64.745 63.200 0.250 0.000 1.223 95 S HN 0.563 nan 8.310 nan 0.000 0.728 96 Q N -0.962 118.796 119.800 -0.071 0.000 2.389 96 Q HA 0.561 4.902 4.340 0.001 0.000 0.277 96 Q C -1.443 174.380 176.000 -0.295 0.000 1.082 96 Q CA -0.651 55.048 55.803 -0.174 0.000 0.810 96 Q CB 2.208 30.842 28.738 -0.172 0.000 1.374 96 Q HN 0.674 nan 8.270 nan 0.000 0.422 97 Y N 1.243 121.332 120.300 -0.351 0.000 2.641 97 Y HA 0.197 4.748 4.550 0.001 0.000 0.108 97 Y C -0.256 175.445 175.900 -0.331 0.000 0.887 97 Y CA -0.038 57.780 58.100 -0.470 0.000 1.812 97 Y CB -0.018 38.039 38.460 -0.672 0.000 1.148 97 Y HN 0.711 nan 8.280 nan 0.000 0.271 98 E N 1.874 121.670 120.200 -0.673 0.000 2.409 98 E HA 0.157 4.507 4.350 0.001 0.000 0.257 98 E C -0.862 175.575 176.600 -0.272 0.000 1.150 98 E CA -0.125 55.992 56.400 -0.472 0.000 0.942 98 E CB 0.185 29.661 29.700 -0.374 0.000 0.979 98 E HN 0.329 nan 8.360 nan 0.000 0.447 99 K N -0.481 119.768 120.400 -0.252 0.000 3.393 99 K HA -0.122 4.199 4.320 0.001 0.000 0.272 99 K C -2.327 174.154 176.600 -0.199 0.000 1.004 99 K CA 0.459 56.611 56.287 -0.224 0.000 0.764 99 K CB -1.529 30.872 32.500 -0.165 0.000 1.373 99 K HN 0.593 nan 8.250 nan 0.000 0.458 100 P HA 0.043 nan 4.420 nan 0.000 0.278 100 P C 0.824 178.113 177.300 -0.019 0.000 1.266 100 P CA -0.635 62.416 63.100 -0.082 0.000 0.807 100 P CB 0.764 32.460 31.700 -0.006 0.000 1.094 101 L N 0.444 121.682 121.223 0.025 0.000 2.046 101 L HA 0.082 4.422 4.340 0.001 0.000 0.208 101 L C 0.771 177.732 176.870 0.151 0.000 1.077 101 L CA 2.078 56.948 54.840 0.050 0.000 0.747 101 L CB -0.830 41.232 42.059 0.005 0.000 0.896 101 L HN 0.549 nan 8.230 nan 0.000 0.432 102 A N -2.461 120.441 122.820 0.138 0.000 2.539 102 A HA 0.757 5.078 4.320 0.001 0.000 0.296 102 A C -0.583 177.069 177.584 0.114 0.000 1.073 102 A CA -0.257 51.831 52.037 0.085 0.000 0.700 102 A CB 1.526 20.509 19.000 -0.028 0.000 1.296 102 A HN 0.052 nan 8.150 nan 0.000 0.405 103 T N 0.164 114.769 114.554 0.085 0.000 2.802 103 T HA 0.480 4.831 4.350 0.001 0.000 0.311 103 T C -0.911 173.827 174.700 0.064 0.000 1.405 103 T CA -0.157 62.020 62.100 0.130 0.000 1.016 103 T CB 0.926 70.000 68.868 0.343 0.000 1.352 103 T HN 1.156 nan 8.240 nan 0.000 0.498 104 N N 0.183 118.930 118.700 0.078 0.000 2.696 104 N HA -0.117 4.624 4.740 0.001 0.000 0.256 104 N C -0.007 175.580 175.510 0.128 0.000 1.031 104 N CA 0.811 53.923 53.050 0.102 0.000 0.730 104 N CB -0.705 37.844 38.487 0.104 0.000 0.894 104 N HN 0.822 nan 8.380 nan 0.000 0.544 105 G N -0.706 108.153 108.800 0.098 0.000 2.887 105 G HA2 0.804 4.764 3.960 0.001 0.000 0.277 105 G HA3 0.804 4.764 3.960 0.001 0.000 0.277 105 G C -0.888 174.164 174.900 0.253 0.000 1.346 105 G CA -0.443 44.676 45.100 0.032 0.000 1.058 105 G HN 0.451 nan 8.290 nan 0.000 0.535 106 W N -1.938 119.365 121.300 0.005 0.000 3.275 106 W HA 0.645 5.305 4.660 0.001 0.000 0.306 106 W C -1.943 174.595 176.519 0.031 0.000 1.259 106 W CA -1.289 56.068 57.345 0.020 0.000 1.194 106 W CB 0.913 30.376 29.460 0.004 0.000 1.375 106 W HN 0.413 nan 8.180 nan 0.000 0.564 107 V N 2.125 122.229 119.914 0.318 0.000 2.680 107 V HA 0.432 4.553 4.120 0.001 0.000 0.309 107 V C -0.480 175.774 176.094 0.267 0.000 1.052 107 V CA -0.936 61.492 62.300 0.214 0.000 0.908 107 V CB 1.630 33.587 31.823 0.222 0.000 1.001 107 V HN 0.664 nan 8.190 nan 0.000 0.431 108 E N 2.688 122.993 120.200 0.175 0.000 2.175 108 E HA 0.514 4.865 4.350 0.001 0.000 0.278 108 E C -1.700 174.916 176.600 0.027 0.000 0.969 108 E CA -0.727 55.742 56.400 0.114 0.000 0.796 108 E CB 1.641 31.401 29.700 0.101 0.000 1.104 108 E HN 0.383 nan 8.360 nan 0.000 0.395 109 L N 3.923 125.160 121.223 0.024 0.000 2.322 109 L HA 0.330 4.670 4.340 0.001 0.000 0.279 109 L C -0.228 176.612 176.870 -0.050 0.000 1.036 109 L CA -0.453 54.379 54.840 -0.013 0.000 0.807 109 L CB 1.450 43.524 42.059 0.024 0.000 1.226 109 L HN 0.464 nan 8.230 nan 0.000 0.433 110 N N 4.492 123.141 118.700 -0.086 0.000 2.476 110 N HA 0.428 5.168 4.740 0.001 0.000 0.257 110 N C -1.019 174.449 175.510 -0.069 0.000 0.970 110 N CA -0.428 52.564 53.050 -0.097 0.000 0.938 110 N CB 1.737 40.124 38.487 -0.167 0.000 1.144 110 N HN 0.386 nan 8.380 nan 0.000 0.500 111 L N 2.764 123.959 121.223 -0.046 0.000 2.357 111 L HA 0.358 4.699 4.340 0.001 0.000 0.273 111 L C -1.006 175.850 176.870 -0.023 0.000 1.080 111 L CA -1.657 53.165 54.840 -0.030 0.000 0.803 111 L CB 0.676 42.723 42.059 -0.021 0.000 1.174 111 L HN 0.205 nan 8.230 nan 0.000 0.443 112 P HA -0.213 nan 4.420 nan 0.000 0.217 112 P C -0.095 177.202 177.300 -0.005 0.000 1.162 112 P CA 1.488 64.584 63.100 -0.006 0.000 0.901 112 P CB 0.155 31.854 31.700 -0.003 0.000 0.793 113 N N -2.810 115.886 118.700 -0.007 0.000 3.570 113 N HA 0.096 4.837 4.740 0.001 0.000 0.193 113 N C -0.115 175.389 175.510 -0.010 0.000 1.465 113 N CA 0.000 53.045 53.050 -0.008 0.000 0.791 113 N CB 0.233 38.717 38.487 -0.005 0.000 1.677 113 N HN -0.009 nan 8.380 nan 0.000 0.678 114 G N 0.966 109.758 108.800 -0.013 0.000 3.284 114 G HA2 0.064 4.024 3.960 0.001 0.000 0.236 114 G HA3 0.064 4.024 3.960 0.001 0.000 0.236 114 G C 0.689 175.579 174.900 -0.017 0.000 1.158 114 G CA 0.315 45.406 45.100 -0.015 0.000 0.774 114 G HN 0.690 nan 8.290 nan 0.000 0.545 115 E N -0.530 119.660 120.200 -0.017 0.000 3.296 115 E HA -0.270 4.081 4.350 0.001 0.000 0.422 115 E C -0.062 176.521 176.600 -0.028 0.000 1.557 115 E CA 1.637 58.024 56.400 -0.022 0.000 1.302 115 E CB -0.694 28.995 29.700 -0.018 0.000 1.497 115 E HN 0.342 nan 8.360 nan 0.000 0.467 116 K N 1.199 121.582 120.400 -0.028 0.000 2.292 116 K HA 0.450 4.770 4.320 0.001 0.000 0.257 116 K C -0.379 176.205 176.600 -0.027 0.000 0.940 116 K CA -0.402 55.866 56.287 -0.031 0.000 0.811 116 K CB 1.995 34.475 32.500 -0.033 0.000 1.120 116 K HN 0.130 nan 8.250 nan 0.000 0.428 117 K N 2.235 122.624 120.400 -0.018 0.000 2.482 117 K HA 0.379 4.700 4.320 0.001 0.000 0.257 117 K C -1.303 175.300 176.600 0.006 0.000 0.969 117 K CA -0.767 55.512 56.287 -0.013 0.000 0.842 117 K CB 1.894 34.391 32.500 -0.006 0.000 1.359 117 K HN 0.395 nan 8.250 nan 0.000 0.441 118 K N 1.753 122.152 120.400 -0.002 0.000 2.292 118 K HA 0.395 4.715 4.320 0.001 0.000 0.257 118 K C -1.139 175.487 176.600 0.044 0.000 0.940 118 K CA -0.820 55.486 56.287 0.032 0.000 0.811 118 K CB 2.215 34.695 32.500 -0.032 0.000 1.120 118 K HN 0.197 nan 8.250 nan 0.000 0.428 119 V N 3.905 123.880 119.914 0.100 0.000 2.398 119 V HA 0.332 4.453 4.120 0.001 0.000 0.286 119 V C 0.092 176.255 176.094 0.116 0.000 1.026 119 V CA -0.843 61.483 62.300 0.043 0.000 0.868 119 V CB 1.296 33.077 31.823 -0.070 0.000 0.982 119 V HN 0.661 nan 8.190 nan 0.000 0.443 120 R N 4.274 124.815 120.500 0.069 0.000 2.441 120 R HA 0.430 4.770 4.340 0.001 0.000 0.284 120 R C -0.663 175.678 176.300 0.068 0.000 1.070 120 R CA -0.586 55.586 56.100 0.119 0.000 1.047 120 R CB 0.766 31.116 30.300 0.082 0.000 1.016 120 R HN 0.476 nan 8.270 nan 0.000 0.477 121 I N 4.038 124.671 120.570 0.105 0.000 2.301 121 I HA 0.088 4.259 4.170 0.001 0.000 0.292 121 I C 1.598 177.739 176.117 0.040 0.000 1.046 121 I CA 0.081 61.415 61.300 0.057 0.000 1.282 121 I CB 1.004 39.034 38.000 0.050 0.000 1.409 121 I HN 0.680 nan 8.210 nan 0.000 0.484 122 R N 6.699 127.207 120.500 0.013 0.000 2.073 122 R HA -0.031 4.310 4.340 0.001 0.000 0.234 122 R C 0.385 176.696 176.300 0.018 0.000 1.134 122 R CA 1.315 57.421 56.100 0.009 0.000 0.952 122 R CB 0.404 30.697 30.300 -0.012 0.000 0.850 122 R HN 0.764 nan 8.270 nan 0.000 0.433 123 R N -0.923 119.585 120.500 0.012 0.000 2.663 123 R HA 0.316 4.657 4.340 0.001 0.000 0.267 123 R C -1.896 174.399 176.300 -0.009 0.000 1.038 123 R CA -0.858 55.257 56.100 0.025 0.000 0.886 123 R CB 0.806 31.140 30.300 0.055 0.000 1.249 123 R HN 0.114 nan 8.270 nan 0.000 0.463 124 L N 3.549 124.770 121.223 -0.003 0.000 2.342 124 L HA 0.495 4.836 4.340 0.001 0.000 0.276 124 L C -0.666 176.208 176.870 0.007 0.000 0.997 124 L CA -0.574 54.237 54.840 -0.049 0.000 0.838 124 L CB 1.058 43.088 42.059 -0.048 0.000 1.224 124 L HN 0.840 nan 8.230 nan 0.000 0.416 125 H N 4.140 123.205 119.070 -0.010 0.000 2.567 125 H HA 0.501 5.058 4.556 0.001 0.000 0.345 125 H C -0.931 174.428 175.328 0.051 0.000 1.169 125 H CA -1.127 54.926 56.048 0.009 0.000 1.227 125 H CB 1.883 31.651 29.762 0.010 0.000 1.607 125 H HN 0.491 nan 8.280 nan 0.000 0.534 126 I N 2.296 123.030 120.570 0.273 0.000 2.371 126 I HA 0.129 4.299 4.170 0.001 0.000 0.290 126 I C 0.233 176.628 176.117 0.463 0.000 1.028 126 I CA 0.012 61.493 61.300 0.301 0.000 1.345 126 I CB 0.931 39.139 38.000 0.346 0.000 1.407 126 I HN 0.715 nan 8.210 nan 0.000 0.501 127 E N 5.432 125.850 120.200 0.363 0.000 2.456 127 E HA 0.493 4.844 4.350 0.001 0.000 0.276 127 E C -1.487 175.268 176.600 0.258 0.000 0.981 127 E CA -1.093 55.538 56.400 0.385 0.000 0.814 127 E CB 1.609 31.556 29.700 0.412 0.000 1.382 127 E HN 0.612 nan 8.360 nan 0.000 0.459 128 E N 0.980 121.348 120.200 0.280 0.000 2.222 128 E HA 0.307 4.658 4.350 0.001 0.000 0.272 128 E C -0.882 175.811 176.600 0.156 0.000 0.982 128 E CA -0.823 55.694 56.400 0.196 0.000 0.842 128 E CB 1.372 31.254 29.700 0.304 0.000 1.144 128 E HN 0.386 nan 8.360 nan 0.000 0.397 129 D N 0.713 121.175 120.400 0.104 0.000 2.329 129 D HA 0.363 5.003 4.640 0.001 0.000 0.246 129 D C -0.620 175.722 176.300 0.070 0.000 1.111 129 D CA -0.237 53.811 54.000 0.081 0.000 0.941 129 D CB 1.587 42.422 40.800 0.058 0.000 1.169 129 D HN 0.587 nan 8.370 nan 0.000 0.441 130 A N 1.044 123.905 122.820 0.068 0.000 2.246 130 A HA 0.660 4.980 4.320 0.001 0.000 0.291 130 A C 0.735 178.352 177.584 0.055 0.000 1.103 130 A CA 0.038 52.114 52.037 0.065 0.000 0.844 130 A CB 0.326 19.391 19.000 0.109 0.000 1.136 130 A HN 0.510 nan 8.150 nan 0.000 0.500 131 G N -0.780 108.047 108.800 0.046 0.000 2.553 131 G HA2 0.459 4.420 3.960 0.001 0.000 0.278 131 G HA3 0.459 4.420 3.960 0.001 0.000 0.278 131 G C -0.105 174.827 174.900 0.053 0.000 1.349 131 G CA -0.384 44.740 45.100 0.040 0.000 1.037 131 G HN 0.825 nan 8.290 nan 0.000 0.508 132 K N -0.538 119.885 120.400 0.038 0.000 2.203 132 K HA 0.343 4.663 4.320 0.001 0.000 0.251 132 K C -0.902 175.692 176.600 -0.011 0.000 0.944 132 K CA -0.765 55.543 56.287 0.034 0.000 0.829 132 K CB 0.928 33.455 32.500 0.045 0.000 1.125 132 K HN 0.417 nan 8.250 nan 0.000 0.430 133 N N 2.237 120.912 118.700 -0.041 0.000 2.417 133 N HA 0.448 5.188 4.740 0.001 0.000 0.300 133 N C -1.158 174.202 175.510 -0.250 0.000 1.102 133 N CA -0.425 52.532 53.050 -0.155 0.000 0.886 133 N CB 1.251 39.617 38.487 -0.201 0.000 1.203 133 N HN 0.389 nan 8.380 nan 0.000 0.496 134 I N 1.745 122.139 120.570 -0.293 0.000 2.436 134 I HA 0.169 4.339 4.170 0.001 0.000 0.289 134 I C -0.298 175.609 176.117 -0.349 0.000 1.010 134 I CA -0.514 60.620 61.300 -0.276 0.000 1.098 134 I CB 1.120 39.052 38.000 -0.113 0.000 1.266 134 I HN 0.301 nan 8.210 nan 0.000 0.434 135 H N 5.575 124.651 119.070 0.010 0.000 2.502 135 H HA 0.463 5.020 4.556 0.001 0.000 0.327 135 H C -0.564 174.764 175.328 0.001 0.000 1.099 135 H CA -0.392 55.658 56.048 0.004 0.000 1.323 135 H CB 1.562 31.329 29.762 0.009 0.000 1.450 135 H HN 0.531 nan 8.280 nan 0.000 0.502 136 E N 2.078 122.341 120.200 0.104 0.000 2.649 136 E HA 0.362 4.712 4.350 0.001 0.000 0.310 136 E C 0.107 176.730 176.600 0.040 0.000 1.036 136 E CA -0.055 56.377 56.400 0.052 0.000 0.772 136 E CB 0.281 29.994 29.700 0.021 0.000 1.513 136 E HN 1.008 nan 8.360 nan 0.000 0.384 137 G N 3.853 112.675 108.800 0.037 0.000 2.498 137 G HA2 -0.308 3.652 3.960 0.001 0.000 0.245 137 G HA3 -0.308 3.652 3.960 0.001 0.000 0.245 137 G C 0.299 175.213 174.900 0.023 0.000 1.204 137 G CA 0.129 45.242 45.100 0.022 0.000 0.933 137 G HN 0.660 nan 8.290 nan 0.000 0.574 138 D N 1.289 121.697 120.400 0.015 0.000 2.324 138 D HA 0.186 4.826 4.640 0.001 0.000 0.235 138 D C 0.750 177.061 176.300 0.019 0.000 1.095 138 D CA 0.840 54.847 54.000 0.012 0.000 0.871 138 D CB 0.043 40.846 40.800 0.004 0.000 0.906 138 D HN 0.662 nan 8.370 nan 0.000 0.522 139 K N -0.896 119.523 120.400 0.031 0.000 2.400 139 K HA 0.533 4.853 4.320 0.001 0.000 0.246 139 K C -0.792 175.845 176.600 0.062 0.000 0.995 139 K CA -0.760 55.546 56.287 0.031 0.000 0.840 139 K CB 2.195 34.702 32.500 0.012 0.000 1.293 139 K HN -0.231 nan 8.250 nan 0.000 0.445 140 T N 1.737 116.317 114.554 0.043 0.000 2.807 140 T HA 0.425 4.776 4.350 0.001 0.000 0.279 140 T C -1.017 173.655 174.700 -0.046 0.000 0.993 140 T CA -0.708 61.403 62.100 0.017 0.000 0.970 140 T CB 0.644 69.531 68.868 0.031 0.000 0.950 140 T HN 0.111 nan 8.240 nan 0.000 0.441 141 L N 3.511 124.688 121.223 -0.078 0.000 2.295 141 L HA 0.546 4.887 4.340 0.001 0.000 0.285 141 L C -0.259 176.562 176.870 -0.083 0.000 1.035 141 L CA -0.515 54.285 54.840 -0.067 0.000 0.806 141 L CB 1.542 43.570 42.059 -0.052 0.000 1.214 141 L HN 0.390 nan 8.230 nan 0.000 0.426 142 V N 2.118 121.994 119.914 -0.063 0.000 2.334 142 V HA 0.305 4.426 4.120 0.001 0.000 0.281 142 V C -0.511 175.559 176.094 -0.039 0.000 1.016 142 V CA -0.699 61.566 62.300 -0.058 0.000 0.832 142 V CB 1.434 33.221 31.823 -0.059 0.000 0.999 142 V HN 0.633 nan 8.190 nan 0.000 0.439 143 D N 4.707 125.089 120.400 -0.030 0.000 2.396 143 D HA 0.298 4.938 4.640 0.001 0.000 0.225 143 D C 0.483 176.781 176.300 -0.003 0.000 1.121 143 D CA -0.230 53.761 54.000 -0.015 0.000 0.853 143 D CB 1.247 42.041 40.800 -0.010 0.000 1.043 143 D HN 0.466 nan 8.370 nan 0.000 0.500 144 L N 3.829 125.049 121.223 -0.006 0.000 2.779 144 L HA 0.139 4.480 4.340 0.001 0.000 0.239 144 L C 1.410 178.284 176.870 0.008 0.000 1.245 144 L CA -0.280 54.559 54.840 -0.000 0.000 1.064 144 L CB -0.361 41.691 42.059 -0.011 0.000 1.350 144 L HN 0.268 nan 8.230 nan 0.000 0.455 145 N N 1.182 119.891 118.700 0.016 0.000 2.142 145 N HA -0.158 4.582 4.740 0.001 0.000 0.186 145 N C 1.928 177.460 175.510 0.036 0.000 1.023 145 N CA 1.106 54.171 53.050 0.024 0.000 0.852 145 N CB 0.051 38.555 38.487 0.029 0.000 0.998 145 N HN 0.350 nan 8.380 nan 0.000 0.424 146 R N 0.668 121.195 120.500 0.046 0.000 2.210 146 R HA 0.273 4.614 4.340 0.001 0.000 0.203 146 R C 0.187 176.511 176.300 0.040 0.000 1.010 146 R CA 0.118 56.249 56.100 0.053 0.000 1.008 146 R CB -0.042 30.300 30.300 0.069 0.000 0.923 146 R HN 0.029 nan 8.270 nan 0.000 0.469 147 A N 0.723 123.563 122.820 0.033 0.000 2.591 147 A HA 0.299 4.620 4.320 0.001 0.000 0.244 147 A C 1.111 178.714 177.584 0.032 0.000 1.031 147 A CA 0.966 53.020 52.037 0.027 0.000 0.767 147 A CB -0.651 18.354 19.000 0.008 0.000 0.942 147 A HN 0.739 nan 8.150 nan 0.000 0.514 148 G N 2.305 111.134 108.800 0.049 0.000 2.157 148 G HA2 -0.189 3.772 3.960 0.001 0.000 0.239 148 G HA3 -0.189 3.772 3.960 0.001 0.000 0.239 148 G C 0.377 175.288 174.900 0.019 0.000 0.982 148 G CA 0.359 45.499 45.100 0.067 0.000 0.650 148 G HN 1.237 nan 8.290 nan 0.000 0.527 149 T N 2.969 117.535 114.554 0.019 0.000 2.919 149 T HA 0.469 4.819 4.350 0.001 0.000 0.302 149 T C -2.170 172.522 174.700 -0.013 0.000 1.031 149 T CA -0.333 61.766 62.100 -0.001 0.000 1.127 149 T CB 1.535 70.414 68.868 0.018 0.000 0.952 149 T HN 0.122 nan 8.240 nan 0.000 0.540 150 P HA 0.365 nan 4.420 nan 0.000 0.276 150 P C -0.878 176.435 177.300 0.022 0.000 1.230 150 P CA -0.228 62.846 63.100 -0.044 0.000 0.776 150 P CB 0.435 32.088 31.700 -0.079 0.000 0.888 151 L N 2.949 124.208 121.223 0.060 0.000 2.381 151 L HA 0.547 4.888 4.340 0.001 0.000 0.268 151 L C 0.135 177.052 176.870 0.078 0.000 0.997 151 L CA -0.874 54.019 54.840 0.089 0.000 0.818 151 L CB 1.928 44.076 42.059 0.148 0.000 1.310 151 L HN 0.186 nan 8.230 nan 0.000 0.416 152 M N 2.248 121.870 119.600 0.037 0.000 2.113 152 M HA 0.303 4.784 4.480 0.001 0.000 0.352 152 M C -0.219 176.002 176.300 -0.131 0.000 1.170 152 M CA -0.175 55.109 55.300 -0.026 0.000 1.053 152 M CB 1.377 33.962 32.600 -0.025 0.000 1.601 152 M HN 0.487 nan 8.290 nan 0.000 0.459 153 E N 4.216 124.224 120.200 -0.321 0.000 2.259 153 E HA 0.456 4.807 4.350 0.001 0.000 0.281 153 E C -1.410 174.910 176.600 -0.468 0.000 1.027 153 E CA -0.324 55.718 56.400 -0.597 0.000 0.838 153 E CB 0.901 30.045 29.700 -0.925 0.000 1.066 153 E HN 0.633 nan 8.360 nan 0.000 0.401 154 I N 4.854 125.231 120.570 -0.320 0.000 2.418 154 I HA 0.290 4.461 4.170 0.001 0.000 0.287 154 I C -0.998 175.050 176.117 -0.114 0.000 1.008 154 I CA -1.048 60.157 61.300 -0.158 0.000 1.104 154 I CB 1.893 39.860 38.000 -0.055 0.000 1.264 154 I HN 0.315 nan 8.210 nan 0.000 0.438 155 V N 4.556 124.424 119.914 -0.078 0.000 2.540 155 V HA 0.414 4.534 4.120 0.001 0.000 0.302 155 V C 0.149 176.215 176.094 -0.046 0.000 1.035 155 V CA -0.515 61.751 62.300 -0.056 0.000 0.873 155 V CB 1.973 33.773 31.823 -0.039 0.000 0.992 155 V HN 0.687 nan 8.190 nan 0.000 0.428 156 T N 3.360 117.865 114.554 -0.083 0.000 2.918 156 T HA 0.333 4.683 4.350 0.001 0.000 0.283 156 T C -0.050 174.590 174.700 -0.101 0.000 1.001 156 T CA -0.442 61.575 62.100 -0.139 0.000 1.041 156 T CB 0.892 69.574 68.868 -0.310 0.000 1.028 156 T HN 0.684 nan 8.240 nan 0.000 0.511 157 E N 3.004 123.154 120.200 -0.084 0.000 2.374 157 E HA 0.185 4.536 4.350 0.001 0.000 0.260 157 E C -2.010 174.553 176.600 -0.062 0.000 1.101 157 E CA -2.227 54.138 56.400 -0.057 0.000 0.907 157 E CB 0.476 30.165 29.700 -0.019 0.000 1.014 157 E HN 0.361 nan 8.360 nan 0.000 0.427 158 P HA 0.035 nan 4.420 nan 0.000 0.235 158 P C -0.410 176.929 177.300 0.065 0.000 1.720 158 P CA 0.334 63.458 63.100 0.040 0.000 1.003 158 P CB 0.001 31.782 31.700 0.133 0.000 1.968 159 D N -0.208 120.182 120.400 -0.018 0.000 2.388 159 D HA 0.123 4.764 4.640 0.001 0.000 0.208 159 D C 1.098 177.375 176.300 -0.039 0.000 1.035 159 D CA 0.212 54.201 54.000 -0.019 0.000 0.875 159 D CB 0.136 40.913 40.800 -0.037 0.000 0.984 159 D HN 0.311 nan 8.370 nan 0.000 0.508 160 I N 1.114 121.642 120.570 -0.071 0.000 2.634 160 I HA 0.086 4.257 4.170 0.001 0.000 0.284 160 I C 1.451 177.550 176.117 -0.029 0.000 1.124 160 I CA 0.082 61.343 61.300 -0.064 0.000 1.417 160 I CB 0.919 38.858 38.000 -0.103 0.000 1.396 160 I HN -0.270 nan 8.210 nan 0.000 0.571 161 R N 2.445 122.933 120.500 -0.021 0.000 2.487 161 R HA 0.313 4.653 4.340 0.001 0.000 0.272 161 R C -0.409 175.886 176.300 -0.009 0.000 0.928 161 R CA 0.136 56.228 56.100 -0.013 0.000 1.077 161 R CB 0.930 31.221 30.300 -0.016 0.000 1.265 161 R HN 0.598 nan 8.270 nan 0.000 0.537 162 T N 0.379 114.928 114.554 -0.008 0.000 3.012 162 T HA 0.253 4.604 4.350 0.001 0.000 0.330 162 T C -2.373 172.326 174.700 -0.002 0.000 1.321 162 T CA -1.074 61.023 62.100 -0.004 0.000 1.067 162 T CB 2.603 71.470 68.868 -0.003 0.000 1.235 162 T HN -0.266 nan 8.240 nan 0.000 0.479 163 P HA -0.121 nan 4.420 nan 0.000 0.216 163 P C 1.321 178.623 177.300 0.005 0.000 1.153 163 P CA 1.006 64.108 63.100 0.004 0.000 0.858 163 P CB 0.331 32.037 31.700 0.010 0.000 0.789 164 E N 0.306 120.509 120.200 0.004 0.000 2.077 164 E HA -0.235 4.115 4.350 0.001 0.000 0.193 164 E C 1.802 178.402 176.600 -0.001 0.000 0.989 164 E CA 1.189 57.590 56.400 0.001 0.000 0.800 164 E CB -0.371 29.329 29.700 0.001 0.000 0.746 164 E HN 0.249 nan 8.360 nan 0.000 0.452 165 E N 0.202 120.403 120.200 0.003 0.000 2.118 165 E HA -0.202 4.149 4.350 0.001 0.000 0.195 165 E C 2.035 178.656 176.600 0.035 0.000 0.992 165 E CA 0.917 57.324 56.400 0.013 0.000 0.804 165 E CB -0.155 29.548 29.700 0.006 0.000 0.741 165 E HN 0.420 nan 8.360 nan 0.000 0.458 166 A N 1.384 124.216 122.820 0.019 0.000 1.933 166 A HA -0.223 4.098 4.320 0.001 0.000 0.218 166 A C 2.095 179.705 177.584 0.043 0.000 1.175 166 A CA 1.539 53.595 52.037 0.033 0.000 0.628 166 A CB -0.383 18.624 19.000 0.012 0.000 0.814 166 A HN 0.084 nan 8.150 nan 0.000 0.444 167 R N -0.603 119.895 120.500 -0.004 0.000 2.062 167 R HA 0.073 4.414 4.340 0.001 0.000 0.226 167 R C 2.031 178.237 176.300 -0.158 0.000 1.125 167 R CA 1.045 57.102 56.100 -0.071 0.000 0.966 167 R CB -0.365 29.921 30.300 -0.024 0.000 0.861 167 R HN 0.488 nan 8.270 nan 0.000 0.433 168 L N 0.459 121.633 121.223 -0.082 0.000 2.081 168 L HA -0.226 4.114 4.340 0.001 0.000 0.212 168 L C 2.332 179.129 176.870 -0.122 0.000 1.080 168 L CA 1.383 56.163 54.840 -0.100 0.000 0.754 168 L CB -0.477 41.553 42.059 -0.048 0.000 0.893 168 L HN 0.232 nan 8.230 nan 0.000 0.433 169 F N 0.426 120.276 119.950 -0.166 0.000 2.051 169 F HA -0.255 4.272 4.527 0.001 0.000 0.296 169 F C 2.214 177.872 175.800 -0.236 0.000 1.122 169 F CA 1.660 59.566 58.000 -0.158 0.000 1.201 169 F CB -0.299 38.636 39.000 -0.108 0.000 0.978 169 F HN -0.148 nan 8.300 nan 0.000 0.472 170 L N 0.079 121.096 121.223 -0.343 0.000 2.042 170 L HA -0.238 4.102 4.340 0.001 0.000 0.210 170 L C 2.446 178.789 176.870 -0.879 0.000 1.076 170 L CA 1.787 56.264 54.840 -0.606 0.000 0.749 170 L CB -0.713 40.964 42.059 -0.636 0.000 0.893 170 L HN 0.219 nan 8.230 nan 0.000 0.432 171 E N -0.164 119.514 120.200 -0.869 0.000 2.058 171 E HA -0.293 4.058 4.350 0.001 0.000 0.194 171 E C 2.120 178.496 176.600 -0.374 0.000 0.997 171 E CA 1.497 57.546 56.400 -0.584 0.000 0.801 171 E CB 0.063 29.546 29.700 -0.362 0.000 0.746 171 E HN 0.178 nan 8.360 nan 0.000 0.450 172 K N 0.585 120.745 120.400 -0.400 0.000 2.057 172 K HA -0.138 4.183 4.320 0.001 0.000 0.206 172 K C 1.977 178.348 176.600 -0.381 0.000 1.050 172 K CA 0.717 56.796 56.287 -0.347 0.000 0.935 172 K CB -0.327 31.979 32.500 -0.322 0.000 0.715 172 K HN 0.059 nan 8.250 nan 0.000 0.439 173 L N 1.345 122.228 121.223 -0.568 0.000 1.989 173 L HA -0.151 4.189 4.340 0.001 0.000 0.211 173 L C 2.342 179.063 176.870 -0.249 0.000 1.071 173 L CA 1.985 56.539 54.840 -0.477 0.000 0.749 173 L CB -0.713 40.966 42.059 -0.634 0.000 0.890 173 L HN 0.250 nan 8.230 nan 0.000 0.431 174 R N -0.583 119.795 120.500 -0.204 0.000 2.096 174 R HA -0.260 4.080 4.340 0.001 0.000 0.240 174 R C 2.224 178.508 176.300 -0.027 0.000 1.139 174 R CA 2.066 58.136 56.100 -0.050 0.000 0.952 174 R CB -0.473 29.864 30.300 0.063 0.000 0.854 174 R HN 0.490 nan 8.270 nan 0.000 0.436 175 N N 0.218 118.883 118.700 -0.058 0.000 2.188 175 N HA -0.080 4.661 4.740 0.001 0.000 0.184 175 N C 1.679 177.223 175.510 0.057 0.000 1.018 175 N CA 1.312 54.379 53.050 0.029 0.000 0.858 175 N CB -0.045 38.409 38.487 -0.055 0.000 0.989 175 N HN 0.281 nan 8.380 nan 0.000 0.426 176 I N -0.042 120.480 120.570 -0.080 0.000 2.202 176 I HA -0.257 3.914 4.170 0.001 0.000 0.242 176 I C 2.104 178.219 176.117 -0.004 0.000 1.091 176 I CA 0.772 62.029 61.300 -0.071 0.000 1.368 176 I CB -0.232 37.684 38.000 -0.140 0.000 1.058 176 I HN 0.133 nan 8.210 nan 0.000 0.410 177 M N 0.387 119.966 119.600 -0.035 0.000 2.073 177 M HA -0.227 4.254 4.480 0.001 0.000 0.258 177 M C 2.459 178.750 176.300 -0.015 0.000 1.070 177 M CA 1.891 57.169 55.300 -0.037 0.000 1.103 177 M CB -1.385 31.195 32.600 -0.034 0.000 1.321 177 M HN 0.212 nan 8.290 nan 0.000 0.405 178 R N -1.220 119.296 120.500 0.028 0.000 2.083 178 R HA -0.189 4.152 4.340 0.001 0.000 0.237 178 R C 2.235 178.540 176.300 0.009 0.000 1.137 178 R CA 1.631 57.743 56.100 0.019 0.000 0.951 178 R CB -0.588 29.740 30.300 0.047 0.000 0.851 178 R HN 0.333 nan 8.270 nan 0.000 0.434 179 Y N 0.438 120.701 120.300 -0.061 0.000 2.145 179 Y HA -0.168 4.382 4.550 0.001 0.000 0.286 179 Y C 2.518 178.372 175.900 -0.077 0.000 1.145 179 Y CA 1.439 59.507 58.100 -0.054 0.000 1.148 179 Y CB -0.417 38.015 38.460 -0.048 0.000 0.981 179 Y HN 0.118 nan 8.280 nan 0.000 0.507 180 A N -0.552 122.297 122.820 0.048 0.000 2.015 180 A HA 0.176 4.496 4.320 0.001 0.000 0.219 180 A C 1.919 179.412 177.584 -0.153 0.000 1.163 180 A CA 1.227 53.226 52.037 -0.063 0.000 0.646 180 A CB -1.199 17.741 19.000 -0.100 0.000 0.806 180 A HN 0.718 nan 8.150 nan 0.000 0.448 181 G N -1.337 107.376 108.800 -0.145 0.000 2.248 181 G HA2 -0.141 3.820 3.960 0.001 0.000 0.252 181 G HA3 -0.141 3.820 3.960 0.001 0.000 0.252 181 G C 0.694 175.390 174.900 -0.341 0.000 1.085 181 G CA 0.790 45.777 45.100 -0.188 0.000 0.845 181 G HN 1.578 nan 8.290 nan 0.000 0.494 182 V N -3.866 115.872 119.914 -0.294 0.000 3.523 182 V HA 0.731 4.852 4.120 0.001 0.000 0.255 182 V C 0.855 176.934 176.094 -0.025 0.000 1.226 182 V CA 1.312 63.401 62.300 -0.350 0.000 1.092 182 V CB 0.974 32.636 31.823 -0.267 0.000 0.817 182 V HN 1.492 nan 8.190 nan 0.000 0.458 183 S N -0.694 114.991 115.700 -0.024 0.000 2.537 183 S HA 0.472 4.943 4.470 0.001 0.000 0.270 183 S C 0.160 174.761 174.600 0.002 0.000 1.142 183 S CA -0.641 57.570 58.200 0.019 0.000 0.870 183 S CB 2.048 65.261 63.200 0.021 0.000 1.112 183 S HN 0.090 nan 8.310 nan 0.000 0.466 184 K N 2.149 122.552 120.400 0.005 0.000 2.155 184 K HA 0.226 4.546 4.320 0.001 0.000 0.203 184 K C 1.415 178.010 176.600 -0.007 0.000 1.052 184 K CA 1.144 57.428 56.287 -0.006 0.000 0.948 184 K CB -1.023 31.471 32.500 -0.011 0.000 0.728 184 K HN 1.455 nan 8.250 nan 0.000 0.448 185 A N 1.873 124.690 122.820 -0.005 0.000 2.826 185 A HA -0.170 4.150 4.320 0.001 0.000 0.274 185 A C -0.708 176.884 177.584 0.012 0.000 1.443 185 A CA 1.010 53.056 52.037 0.014 0.000 0.833 185 A CB -1.956 17.064 19.000 0.034 0.000 1.023 185 A HN 0.283 nan 8.150 nan 0.000 0.600 186 D N 0.016 120.391 120.400 -0.042 0.000 2.313 186 D HA 0.432 5.072 4.640 0.001 0.000 0.239 186 D C 1.564 177.782 176.300 -0.138 0.000 1.142 186 D CA -0.364 53.578 54.000 -0.096 0.000 0.847 186 D CB 0.756 41.502 40.800 -0.091 0.000 1.082 186 D HN 0.448 nan 8.370 nan 0.000 0.480 187 M N 0.870 120.338 119.600 -0.220 0.000 2.260 187 M HA -0.188 4.292 4.480 0.001 0.000 0.261 187 M C 1.804 178.022 176.300 -0.138 0.000 1.066 187 M CA 1.274 56.459 55.300 -0.191 0.000 1.082 187 M CB -0.070 32.347 32.600 -0.305 0.000 1.388 187 M HN 0.475 nan 8.290 nan 0.000 0.419 188 E N 1.078 121.193 120.200 -0.141 0.000 2.085 188 E HA -0.210 4.141 4.350 0.001 0.000 0.194 188 E C 1.416 177.963 176.600 -0.089 0.000 0.994 188 E CA 1.353 57.706 56.400 -0.078 0.000 0.801 188 E CB 0.153 29.818 29.700 -0.060 0.000 0.743 188 E HN 0.469 nan 8.360 nan 0.000 0.453 189 K N -1.475 118.823 120.400 -0.170 0.000 2.393 189 K HA 0.108 4.428 4.320 0.001 0.000 0.193 189 K C 0.746 177.022 176.600 -0.539 0.000 1.026 189 K CA 0.486 56.549 56.287 -0.373 0.000 1.064 189 K CB 0.907 33.210 32.500 -0.329 0.000 0.833 189 K HN 0.271 nan 8.250 nan 0.000 0.521 190 G N 1.564 110.200 108.800 -0.273 0.000 2.130 190 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 190 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 190 G C 0.377 175.189 174.900 -0.147 0.000 0.999 190 G CA 0.069 45.051 45.100 -0.196 0.000 0.686 190 G HN 0.382 nan 8.290 nan 0.000 0.515 191 Q N -1.096 118.625 119.800 -0.132 0.000 2.319 191 Q HA 0.525 4.865 4.340 0.001 0.000 0.209 191 Q C 0.734 176.727 176.000 -0.011 0.000 0.884 191 Q CA 0.280 56.039 55.803 -0.073 0.000 0.938 191 Q CB 1.242 29.931 28.738 -0.081 0.000 1.098 191 Q HN 0.551 nan 8.270 nan 0.000 0.517 192 L N 1.159 122.380 121.223 -0.003 0.000 2.441 192 L HA 0.464 4.804 4.340 0.001 0.000 0.270 192 L C -1.305 175.607 176.870 0.070 0.000 0.973 192 L CA -0.488 54.386 54.840 0.057 0.000 0.842 192 L CB 1.435 43.551 42.059 0.094 0.000 1.239 192 L HN -0.065 nan 8.230 nan 0.000 0.406 193 R N 3.076 123.640 120.500 0.107 0.000 2.598 193 R HA 0.693 5.034 4.340 0.001 0.000 0.279 193 R C -1.284 175.115 176.300 0.165 0.000 0.984 193 R CA -0.562 55.606 56.100 0.114 0.000 0.999 193 R CB 2.071 32.423 30.300 0.087 0.000 1.114 193 R HN 0.637 nan 8.270 nan 0.000 0.493 194 C N 1.705 121.097 119.300 0.154 0.000 2.608 194 C HA 0.446 4.907 4.460 0.001 0.000 0.325 194 C C -1.621 173.447 174.990 0.130 0.000 1.147 194 C CA -0.658 58.457 59.018 0.163 0.000 1.359 194 C CB 1.180 29.031 27.740 0.185 0.000 1.912 194 C HN 0.726 nan 8.230 nan 0.000 0.466 195 D N 4.423 124.898 120.400 0.125 0.000 2.256 195 D HA 0.612 5.253 4.640 0.001 0.000 0.246 195 D C -0.402 175.940 176.300 0.070 0.000 1.042 195 D CA 0.089 54.146 54.000 0.096 0.000 0.841 195 D CB 1.743 42.607 40.800 0.107 0.000 1.223 195 D HN 0.605 nan 8.370 nan 0.000 0.470 196 I N 1.933 122.534 120.570 0.053 0.000 2.412 196 I HA 0.299 4.470 4.170 0.001 0.000 0.296 196 I C 0.078 176.210 176.117 0.025 0.000 0.987 196 I CA -0.766 60.553 61.300 0.032 0.000 1.180 196 I CB 1.248 39.260 38.000 0.020 0.000 1.340 196 I HN 0.004 nan 8.210 nan 0.000 0.455 197 N N 5.363 124.070 118.700 0.013 0.000 2.314 197 N HA 0.532 5.273 4.740 0.001 0.000 0.294 197 N C -1.511 174.005 175.510 0.010 0.000 1.029 197 N CA -0.413 52.644 53.050 0.012 0.000 0.845 197 N CB 3.300 41.790 38.487 0.006 0.000 1.321 197 N HN 0.252 nan 8.380 nan 0.000 0.481 198 V N 1.611 121.534 119.914 0.014 0.000 2.668 198 V HA 0.538 4.658 4.120 0.001 0.000 0.304 198 V C -0.641 175.465 176.094 0.020 0.000 1.071 198 V CA -0.320 61.988 62.300 0.013 0.000 0.894 198 V CB 1.664 33.485 31.823 -0.002 0.000 1.008 198 V HN 0.873 nan 8.190 nan 0.000 0.425 199 S N 7.135 122.860 115.700 0.041 0.000 2.709 199 S HA 0.793 5.264 4.470 0.001 0.000 0.302 199 S C -0.545 174.071 174.600 0.027 0.000 1.127 199 S CA -0.802 57.424 58.200 0.043 0.000 0.905 199 S CB 2.066 65.323 63.200 0.095 0.000 1.151 199 S HN 1.307 nan 8.310 nan 0.000 0.510 200 I N -0.862 119.716 120.570 0.014 0.000 2.569 200 I HA 0.710 4.881 4.170 0.001 0.000 0.296 200 I C -0.751 175.409 176.117 0.072 0.000 1.028 200 I CA -1.119 60.196 61.300 0.024 0.000 1.082 200 I CB 1.997 39.965 38.000 -0.052 0.000 1.264 200 I HN 0.793 nan 8.210 nan 0.000 0.429 201 R N 4.709 125.259 120.500 0.084 0.000 2.810 201 R HA 0.691 5.032 4.340 0.001 0.000 0.245 201 R C -2.678 173.733 176.300 0.185 0.000 1.168 201 R CA -1.836 54.315 56.100 0.086 0.000 1.096 201 R CB 0.352 30.625 30.300 -0.044 0.000 1.259 201 R HN 0.460 nan 8.270 nan 0.000 0.518 202 P HA 0.121 nan 4.420 nan 0.000 0.284 202 P C -1.067 176.160 177.300 -0.123 0.000 1.258 202 P CA -0.527 62.472 63.100 -0.169 0.000 0.824 202 P CB 0.936 32.502 31.700 -0.223 0.000 1.038 203 K N 0.872 121.186 120.400 -0.143 0.000 2.436 203 K HA 0.175 4.496 4.320 0.001 0.000 0.275 203 K C 1.281 177.826 176.600 -0.091 0.000 0.999 203 K CA 1.247 57.477 56.287 -0.096 0.000 0.980 203 K CB -0.397 32.050 32.500 -0.088 0.000 0.919 203 K HN 0.848 nan 8.250 nan 0.000 0.484 204 G N 1.787 110.537 108.800 -0.084 0.000 2.189 204 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 204 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 204 G C 0.147 174.993 174.900 -0.089 0.000 0.975 204 G CA 0.877 45.929 45.100 -0.081 0.000 0.644 204 G HN 0.733 nan 8.290 nan 0.000 0.537 205 S N -0.713 114.926 115.700 -0.100 0.000 2.584 205 S HA 0.623 5.094 4.470 0.001 0.000 0.273 205 S C 0.985 175.499 174.600 -0.143 0.000 1.311 205 S CA 0.431 58.570 58.200 -0.102 0.000 1.034 205 S CB 1.590 64.737 63.200 -0.088 0.000 0.939 205 S HN 0.337 nan 8.310 nan 0.000 0.513 206 K N 1.044 121.369 120.400 -0.125 0.000 2.358 206 K HA 0.155 4.476 4.320 0.001 0.000 0.200 206 K C -0.152 176.347 176.600 -0.167 0.000 1.030 206 K CA 0.056 56.255 56.287 -0.147 0.000 1.097 206 K CB 0.336 32.791 32.500 -0.075 0.000 0.862 206 K HN 0.782 nan 8.250 nan 0.000 0.534 207 E N -0.378 119.744 120.200 -0.130 0.000 2.250 207 E HA 0.321 4.672 4.350 0.001 0.000 0.265 207 E C -0.699 175.823 176.600 -0.131 0.000 1.033 207 E CA -0.715 55.657 56.400 -0.046 0.000 0.888 207 E CB 0.801 30.514 29.700 0.022 0.000 1.151 207 E HN -0.151 nan 8.360 nan 0.000 0.412 208 F N 0.217 120.170 119.950 0.004 0.000 2.432 208 F HA 0.522 5.050 4.527 0.001 0.000 0.329 208 F C 1.062 176.869 175.800 0.011 0.000 1.076 208 F CA -0.267 57.737 58.000 0.005 0.000 1.018 208 F CB 1.698 40.699 39.000 0.001 0.000 1.201 208 F HN 0.561 nan 8.300 nan 0.000 0.489 209 G N 0.328 109.245 108.800 0.195 0.000 2.502 209 G HA2 0.414 4.374 3.960 0.001 0.000 0.305 209 G HA3 0.414 4.374 3.960 0.001 0.000 0.305 209 G C -0.824 174.143 174.900 0.112 0.000 1.190 209 G CA -0.662 44.509 45.100 0.119 0.000 0.933 209 G HN 0.524 nan 8.290 nan 0.000 0.503 210 T N 0.406 115.000 114.554 0.067 0.000 2.908 210 T HA 0.122 4.473 4.350 0.001 0.000 0.301 210 T C 0.648 175.372 174.700 0.040 0.000 1.019 210 T CA 0.337 62.465 62.100 0.046 0.000 1.152 210 T CB 0.452 69.337 68.868 0.028 0.000 0.966 210 T HN 0.528 nan 8.240 nan 0.000 0.540 211 R N 2.535 123.055 120.500 0.034 0.000 2.265 211 R HA 0.514 4.854 4.340 0.001 0.000 0.319 211 R C -1.222 175.091 176.300 0.020 0.000 1.006 211 R CA -0.539 55.578 56.100 0.028 0.000 0.880 211 R CB 0.683 30.995 30.300 0.020 0.000 1.077 211 R HN 0.446 nan 8.270 nan 0.000 0.454 212 V N 3.677 123.601 119.914 0.017 0.000 2.547 212 V HA 0.298 4.419 4.120 0.001 0.000 0.299 212 V C -0.072 176.036 176.094 0.024 0.000 1.040 212 V CA -0.630 61.681 62.300 0.019 0.000 0.913 212 V CB 1.711 33.541 31.823 0.011 0.000 0.992 212 V HN 0.763 nan 8.190 nan 0.000 0.449 213 E N 3.655 123.875 120.200 0.032 0.000 2.158 213 E HA 0.516 4.867 4.350 0.001 0.000 0.271 213 E C -1.397 175.232 176.600 0.048 0.000 0.911 213 E CA -0.534 55.889 56.400 0.038 0.000 0.767 213 E CB 1.798 31.522 29.700 0.040 0.000 1.120 213 E HN 0.540 nan 8.360 nan 0.000 0.405 214 I N 4.179 124.779 120.570 0.050 0.000 2.354 214 I HA 0.278 4.448 4.170 0.001 0.000 0.286 214 I C 0.410 176.569 176.117 0.070 0.000 1.007 214 I CA -0.619 60.721 61.300 0.067 0.000 1.167 214 I CB 1.065 39.102 38.000 0.062 0.000 1.320 214 I HN 0.017 nan 8.210 nan 0.000 0.458 215 K N 4.475 124.921 120.400 0.078 0.000 2.098 215 K HA 0.360 4.680 4.320 0.001 0.000 0.261 215 K C 0.077 176.729 176.600 0.086 0.000 0.987 215 K CA -0.702 55.628 56.287 0.073 0.000 0.916 215 K CB 1.041 33.576 32.500 0.057 0.000 1.039 215 K HN 0.594 nan 8.250 nan 0.000 0.455 216 N N 0.148 118.896 118.700 0.079 0.000 2.727 216 N HA -0.172 4.568 4.740 0.001 0.000 0.251 216 N C -0.912 174.662 175.510 0.106 0.000 1.040 216 N CA -0.194 52.906 53.050 0.084 0.000 0.712 216 N CB -0.749 37.783 38.487 0.076 0.000 0.912 216 N HN 0.159 nan 8.380 nan 0.000 0.545 217 V N 0.631 120.609 119.914 0.106 0.000 2.567 217 V HA 0.194 4.314 4.120 0.001 0.000 0.289 217 V C 0.939 177.117 176.094 0.141 0.000 1.049 217 V CA -0.319 62.053 62.300 0.120 0.000 0.969 217 V CB 1.828 33.672 31.823 0.035 0.000 0.995 217 V HN 0.307 nan 8.190 nan 0.000 0.471 218 N N 1.115 119.933 118.700 0.196 0.000 2.205 218 N HA 0.114 4.854 4.740 0.001 0.000 0.201 218 N C 0.163 175.785 175.510 0.186 0.000 1.128 218 N CA 0.272 53.428 53.050 0.177 0.000 0.867 218 N CB 0.629 39.203 38.487 0.145 0.000 0.996 218 N HN 0.839 nan 8.380 nan 0.000 0.503 219 S N -1.708 114.161 115.700 0.281 0.000 2.607 219 S HA 0.396 4.867 4.470 0.001 0.000 0.273 219 S C 0.095 174.726 174.600 0.051 0.000 1.148 219 S CA -0.689 57.514 58.200 0.004 0.000 0.833 219 S CB 0.361 63.510 63.200 -0.085 0.000 1.130 219 S HN -0.145 nan 8.310 nan 0.000 0.470 220 F N 1.423 121.363 119.950 -0.016 0.000 2.134 220 F HA 0.087 4.614 4.527 0.001 0.000 0.299 220 F C 2.717 178.477 175.800 -0.067 0.000 1.097 220 F CA 0.883 58.866 58.000 -0.028 0.000 1.264 220 F CB -0.832 38.145 39.000 -0.038 0.000 1.001 220 F HN 0.489 nan 8.300 nan 0.000 0.479 221 R N -0.202 120.306 120.500 0.013 0.000 2.091 221 R HA -0.162 4.178 4.340 0.001 0.000 0.238 221 R C 2.212 178.448 176.300 -0.106 0.000 1.136 221 R CA 1.250 57.274 56.100 -0.126 0.000 0.959 221 R CB -1.409 28.702 30.300 -0.315 0.000 0.856 221 R HN 0.236 nan 8.270 nan 0.000 0.437 222 F N 0.518 120.483 119.950 0.025 0.000 2.171 222 F HA -0.165 4.363 4.527 0.001 0.000 0.300 222 F C 2.477 178.063 175.800 -0.357 0.000 1.090 222 F CA 1.143 59.084 58.000 -0.099 0.000 1.293 222 F CB -1.253 37.775 39.000 0.047 0.000 1.013 222 F HN -0.110 nan 8.300 nan 0.000 0.486 223 V N -0.838 119.083 119.914 0.012 0.000 2.343 223 V HA -0.304 3.816 4.120 0.001 0.000 0.247 223 V C 2.131 178.186 176.094 -0.065 0.000 1.051 223 V CA 2.159 64.429 62.300 -0.050 0.000 1.036 223 V CB -1.222 30.640 31.823 0.066 0.000 0.654 223 V HN 0.462 nan 8.190 nan 0.000 0.451 224 Q N 0.348 120.141 119.800 -0.012 0.000 2.084 224 Q HA -0.274 4.067 4.340 0.001 0.000 0.202 224 Q C 2.347 178.345 176.000 -0.003 0.000 0.978 224 Q CA 2.284 58.086 55.803 -0.001 0.000 0.844 224 Q CB -0.169 28.578 28.738 0.015 0.000 0.898 224 Q HN 0.631 nan 8.270 nan 0.000 0.426 225 K N 0.268 120.666 120.400 -0.003 0.000 2.002 225 K HA -0.067 4.253 4.320 0.001 0.000 0.209 225 K C 1.872 178.487 176.600 0.026 0.000 1.048 225 K CA 1.480 57.813 56.287 0.076 0.000 0.930 225 K CB -0.613 32.035 32.500 0.246 0.000 0.714 225 K HN 0.335 nan 8.250 nan 0.000 0.438 226 A N 0.582 123.206 122.820 -0.326 0.000 1.892 226 A HA -0.187 4.134 4.320 0.001 0.000 0.218 226 A C 2.250 179.832 177.584 -0.004 0.000 1.188 226 A CA 1.798 53.658 52.037 -0.295 0.000 0.631 226 A CB -0.825 17.804 19.000 -0.618 0.000 0.822 226 A HN 0.307 nan 8.150 nan 0.000 0.447 227 L N -1.153 120.046 121.223 -0.040 0.000 2.027 227 L HA -0.195 4.146 4.340 0.001 0.000 0.206 227 L C 2.659 179.540 176.870 0.018 0.000 1.074 227 L CA 1.634 56.470 54.840 -0.007 0.000 0.745 227 L CB -0.541 41.509 42.059 -0.015 0.000 0.898 227 L HN 0.490 nan 8.230 nan 0.000 0.433 228 E N -0.747 119.479 120.200 0.044 0.000 2.086 228 E HA -0.327 4.024 4.350 0.001 0.000 0.200 228 E C 2.007 178.662 176.600 0.092 0.000 1.012 228 E CA 2.175 58.614 56.400 0.065 0.000 0.812 228 E CB -0.246 29.507 29.700 0.089 0.000 0.743 228 E HN 0.477 nan 8.360 nan 0.000 0.453 229 Y N 1.163 121.482 120.300 0.031 0.000 2.133 229 Y HA -0.249 4.301 4.550 0.001 0.000 0.287 229 Y C 2.410 178.308 175.900 -0.003 0.000 1.134 229 Y CA 1.864 59.980 58.100 0.026 0.000 1.133 229 Y CB 0.022 38.517 38.460 0.059 0.000 0.987 229 Y HN -0.032 nan 8.280 nan 0.000 0.502 230 E N 0.890 121.014 120.200 -0.126 0.000 2.085 230 E HA -0.225 4.125 4.350 0.001 0.000 0.194 230 E C 1.882 178.343 176.600 -0.232 0.000 0.994 230 E CA 2.159 58.428 56.400 -0.218 0.000 0.801 230 E CB -0.606 29.070 29.700 -0.041 0.000 0.743 230 E HN 0.677 nan 8.360 nan 0.000 0.453 231 I N 0.501 120.982 120.570 -0.149 0.000 2.127 231 I HA -0.274 3.897 4.170 0.001 0.000 0.241 231 I C 2.473 178.480 176.117 -0.183 0.000 1.075 231 I CA 1.647 62.867 61.300 -0.133 0.000 1.334 231 I CB -0.378 37.578 38.000 -0.072 0.000 1.040 231 I HN 0.182 nan 8.210 nan 0.000 0.405 232 E N 0.384 120.470 120.200 -0.190 0.000 2.118 232 E HA -0.279 4.071 4.350 0.001 0.000 0.195 232 E C 2.332 178.763 176.600 -0.281 0.000 0.992 232 E CA 1.015 57.297 56.400 -0.197 0.000 0.804 232 E CB -0.128 29.487 29.700 -0.142 0.000 0.741 232 E HN 0.320 nan 8.360 nan 0.000 0.458 233 R N 0.807 121.039 120.500 -0.448 0.000 2.083 233 R HA -0.206 4.134 4.340 0.001 0.000 0.237 233 R C 2.193 178.338 176.300 -0.258 0.000 1.137 233 R CA 1.807 57.646 56.100 -0.435 0.000 0.951 233 R CB -0.037 29.898 30.300 -0.609 0.000 0.851 233 R HN 0.260 nan 8.270 nan 0.000 0.434 234 Q N -0.006 119.650 119.800 -0.240 0.000 2.083 234 Q HA -0.114 4.227 4.340 0.001 0.000 0.198 234 Q C 2.312 178.152 176.000 -0.266 0.000 0.969 234 Q CA 1.400 57.080 55.803 -0.204 0.000 0.838 234 Q CB -0.083 28.550 28.738 -0.175 0.000 0.900 234 Q HN 0.408 nan 8.270 nan 0.000 0.436 235 I N 1.498 121.870 120.570 -0.331 0.000 2.151 235 I HA -0.340 3.830 4.170 0.001 0.000 0.243 235 I C 1.846 177.802 176.117 -0.268 0.000 1.080 235 I CA 0.981 62.014 61.300 -0.445 0.000 1.339 235 I CB -0.358 37.434 38.000 -0.346 0.000 1.039 235 I HN 0.245 nan 8.210 nan 0.000 0.409 236 N N 0.574 119.168 118.700 -0.178 0.000 2.036 236 N HA -0.166 4.575 4.740 0.001 0.000 0.195 236 N C 1.886 177.343 175.510 -0.088 0.000 1.037 236 N CA 1.462 54.449 53.050 -0.105 0.000 0.855 236 N CB -0.824 37.609 38.487 -0.090 0.000 1.033 236 N HN 0.153 nan 8.380 nan 0.000 0.423 237 V N 0.773 120.625 119.914 -0.103 0.000 2.324 237 V HA -0.190 3.930 4.120 0.001 0.000 0.250 237 V C 2.368 178.426 176.094 -0.060 0.000 1.060 237 V CA 1.333 63.591 62.300 -0.071 0.000 1.042 237 V CB -0.547 31.232 31.823 -0.074 0.000 0.650 237 V HN 0.105 nan 8.190 nan 0.000 0.450 238 V N -0.403 119.451 119.914 -0.100 0.000 2.453 238 V HA -0.160 3.961 4.120 0.001 0.000 0.247 238 V C 2.308 178.415 176.094 0.022 0.000 1.048 238 V CA 1.692 63.961 62.300 -0.051 0.000 1.049 238 V CB -0.564 31.189 31.823 -0.117 0.000 0.672 238 V HN 0.606 nan 8.190 nan 0.000 0.457 239 E N -0.074 120.135 120.200 0.015 0.000 2.299 239 E HA -0.121 4.229 4.350 0.001 0.000 0.193 239 E C 1.867 178.485 176.600 0.031 0.000 0.998 239 E CA 0.448 56.886 56.400 0.062 0.000 0.851 239 E CB 0.005 29.755 29.700 0.083 0.000 0.795 239 E HN 0.678 nan 8.360 nan 0.000 0.492 240 E N -0.067 120.138 120.200 0.009 0.000 2.478 240 E HA -0.037 4.313 4.350 0.001 0.000 0.198 240 E C 1.082 177.689 176.600 0.011 0.000 1.046 240 E CA 0.381 56.786 56.400 0.008 0.000 0.870 240 E CB 0.175 29.875 29.700 -0.001 0.000 0.818 240 E HN 0.383 nan 8.360 nan 0.000 0.527 241 G N 0.692 109.502 108.800 0.016 0.000 2.175 241 G HA2 -0.243 3.718 3.960 0.001 0.000 0.244 241 G HA3 -0.243 3.718 3.960 0.001 0.000 0.244 241 G C 0.502 175.410 174.900 0.013 0.000 0.982 241 G CA -0.200 44.911 45.100 0.017 0.000 0.641 241 G HN 0.501 nan 8.290 nan 0.000 0.527 242 G N -0.444 108.359 108.800 0.006 0.000 2.562 242 G HA2 0.558 4.519 3.960 0.001 0.000 0.275 242 G HA3 0.558 4.519 3.960 0.001 0.000 0.275 242 G C -0.319 174.581 174.900 0.001 0.000 1.196 242 G CA -0.299 44.803 45.100 0.002 0.000 0.908 242 G HN 0.379 nan 8.290 nan 0.000 0.524 243 E N -0.602 119.600 120.200 0.002 0.000 2.151 243 E HA 0.261 4.612 4.350 0.001 0.000 0.275 243 E C -0.550 176.048 176.600 -0.004 0.000 0.936 243 E CA -0.735 55.667 56.400 0.003 0.000 0.777 243 E CB 2.655 32.361 29.700 0.010 0.000 1.108 243 E HN 0.262 nan 8.360 nan 0.000 0.401 244 V N 4.859 124.766 119.914 -0.012 0.000 2.485 244 V HA 0.032 4.153 4.120 0.001 0.000 0.287 244 V C -0.125 175.967 176.094 -0.003 0.000 1.022 244 V CA 0.027 62.316 62.300 -0.018 0.000 1.067 244 V CB 0.938 32.739 31.823 -0.035 0.000 0.967 244 V HN 0.426 nan 8.190 nan 0.000 0.479 245 V N 7.557 127.471 119.914 0.000 0.000 2.607 245 V HA 0.306 4.427 4.120 0.001 0.000 0.289 245 V C 0.386 176.487 176.094 0.011 0.000 1.053 245 V CA -0.310 61.995 62.300 0.008 0.000 0.996 245 V CB 1.627 33.457 31.823 0.012 0.000 0.995 245 V HN 1.039 nan 8.190 nan 0.000 0.476 246 Q N 6.566 126.375 119.800 0.014 0.000 2.323 246 Q HA 0.349 4.689 4.340 0.001 0.000 0.257 246 Q C -0.378 175.634 176.000 0.019 0.000 1.022 246 Q CA -0.110 55.703 55.803 0.017 0.000 0.919 246 Q CB 0.575 29.323 28.738 0.017 0.000 1.220 246 Q HN 0.956 nan 8.270 nan 0.000 0.427 247 E N 1.975 122.188 120.200 0.023 0.000 2.435 247 E HA 0.485 4.836 4.350 0.001 0.000 0.272 247 E C -1.248 175.372 176.600 0.033 0.000 1.031 247 E CA -0.927 55.489 56.400 0.027 0.000 0.872 247 E CB 0.936 30.655 29.700 0.031 0.000 1.588 247 E HN 0.317 nan 8.360 nan 0.000 0.460 248 T N 0.404 114.980 114.554 0.037 0.000 2.928 248 T HA 0.590 4.940 4.350 0.001 0.000 0.284 248 T C -0.278 174.458 174.700 0.060 0.000 1.008 248 T CA -0.579 61.548 62.100 0.045 0.000 1.057 248 T CB 0.964 69.856 68.868 0.041 0.000 1.018 248 T HN 0.322 nan 8.240 nan 0.000 0.493 249 R N 0.093 120.637 120.500 0.074 0.000 2.885 249 R HA 0.751 5.092 4.340 0.001 0.000 0.260 249 R C -0.768 175.604 176.300 0.120 0.000 1.107 249 R CA -0.952 55.209 56.100 0.101 0.000 0.978 249 R CB 1.882 32.242 30.300 0.100 0.000 1.227 249 R HN 0.678 nan 8.270 nan 0.000 0.473 250 T N -0.547 114.103 114.554 0.160 0.000 2.887 250 T HA 0.564 4.914 4.350 0.001 0.000 0.292 250 T C -1.447 173.404 174.700 0.252 0.000 1.087 250 T CA -0.689 61.521 62.100 0.183 0.000 1.009 250 T CB 1.495 70.455 68.868 0.154 0.000 1.203 250 T HN 0.421 nan 8.240 nan 0.000 0.518 251 F N 1.671 121.656 119.950 0.058 0.000 2.536 251 F HA 0.544 5.072 4.527 0.001 0.000 0.322 251 F C -1.131 174.665 175.800 -0.007 0.000 1.144 251 F CA -1.026 56.987 58.000 0.022 0.000 0.924 251 F CB 1.419 40.424 39.000 0.008 0.000 1.181 251 F HN 0.613 nan 8.300 nan 0.000 0.438 252 D N 8.438 128.475 120.400 -0.604 0.000 2.313 252 D HA 0.380 5.020 4.640 0.001 0.000 0.239 252 D C -1.941 173.730 176.300 -1.049 0.000 1.142 252 D CA -2.178 51.471 54.000 -0.586 0.000 0.847 252 D CB 1.824 42.502 40.800 -0.204 0.000 1.082 252 D HN 0.225 nan 8.370 nan 0.000 0.480 253 P HA -0.230 nan 4.420 nan 0.000 0.215 253 P C 1.239 178.362 177.300 -0.294 0.000 1.163 253 P CA 1.243 63.932 63.100 -0.684 0.000 0.894 253 P CB 0.175 31.476 31.700 -0.665 0.000 0.791 254 Q N -1.460 118.206 119.800 -0.223 0.000 2.135 254 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 254 Q C 2.145 178.082 176.000 -0.104 0.000 0.981 254 Q CA 1.938 57.677 55.803 -0.107 0.000 0.856 254 Q CB -1.534 27.152 28.738 -0.087 0.000 0.902 254 Q HN 0.285 nan 8.270 nan 0.000 0.425 255 T N -1.448 113.008 114.554 -0.164 0.000 3.037 255 T HA 0.212 4.562 4.350 0.001 0.000 0.251 255 T C 1.108 175.698 174.700 -0.183 0.000 1.079 255 T CA 0.996 63.021 62.100 -0.126 0.000 1.067 255 T CB -0.136 68.705 68.868 -0.044 0.000 0.948 255 T HN 0.526 nan 8.240 nan 0.000 0.496 256 G N 1.915 110.549 108.800 -0.277 0.000 2.203 256 G HA2 -0.238 3.722 3.960 0.001 0.000 0.263 256 G HA3 -0.238 3.722 3.960 0.001 0.000 0.263 256 G C -0.031 174.728 174.900 -0.234 0.000 1.012 256 G CA 0.637 45.649 45.100 -0.146 0.000 0.749 256 G HN 0.587 nan 8.290 nan 0.000 0.512 257 K N -0.122 119.982 120.400 -0.493 0.000 2.295 257 K HA 0.677 4.997 4.320 0.001 0.000 0.239 257 K C 0.295 176.567 176.600 -0.546 0.000 0.991 257 K CA -0.143 55.623 56.287 -0.870 0.000 0.845 257 K CB 1.558 33.456 32.500 -1.003 0.000 1.197 257 K HN 0.272 nan 8.250 nan 0.000 0.441 258 T N -1.181 113.161 114.554 -0.352 0.000 2.859 258 T HA 0.520 4.870 4.350 0.001 0.000 0.281 258 T C -0.873 173.614 174.700 -0.355 0.000 1.005 258 T CA -0.615 61.432 62.100 -0.088 0.000 1.025 258 T CB 0.339 69.334 68.868 0.211 0.000 0.977 258 T HN 0.406 nan 8.240 nan 0.000 0.458 259 Y N 2.274 122.646 120.300 0.119 0.000 2.406 259 Y HA 0.488 5.039 4.550 0.001 0.000 0.340 259 Y C -2.239 173.699 175.900 0.063 0.000 0.975 259 Y CA -2.536 55.608 58.100 0.073 0.000 1.056 259 Y CB 2.334 40.808 38.460 0.023 0.000 1.210 259 Y HN 0.538 nan 8.280 nan 0.000 0.448 260 P HA 0.106 nan 4.420 nan 0.000 0.272 260 P C -0.880 176.490 177.300 0.116 0.000 1.254 260 P CA 0.031 63.211 63.100 0.132 0.000 0.795 260 P CB 0.977 32.742 31.700 0.107 0.000 1.022 261 M N 0.283 119.928 119.600 0.076 0.000 2.436 261 M HA 0.382 4.863 4.480 0.001 0.000 0.331 261 M C 1.843 178.164 176.300 0.036 0.000 1.135 261 M CA -0.665 54.668 55.300 0.054 0.000 0.987 261 M CB 2.411 35.039 32.600 0.047 0.000 1.687 261 M HN 0.296 nan 8.290 nan 0.000 0.445 262 R N 0.254 120.767 120.500 0.022 0.000 2.081 262 R HA -0.022 4.319 4.340 0.001 0.000 0.235 262 R C 0.457 176.766 176.300 0.015 0.000 1.131 262 R CA 1.449 57.557 56.100 0.012 0.000 0.960 262 R CB -1.040 29.259 30.300 -0.001 0.000 0.856 262 R HN 0.743 nan 8.270 nan 0.000 0.436 263 T N 0.442 115.006 114.554 0.017 0.000 2.769 263 T HA 0.170 4.520 4.350 0.001 0.000 0.293 263 T C -0.034 174.679 174.700 0.021 0.000 0.931 263 T CA -0.645 61.466 62.100 0.020 0.000 1.139 263 T CB 1.083 69.965 68.868 0.024 0.000 0.881 263 T HN 0.244 nan 8.240 nan 0.000 0.532 264 K N 3.240 123.651 120.400 0.019 0.000 3.165 264 K HA 0.118 4.439 4.320 0.001 0.000 0.259 264 K C 0.121 176.730 176.600 0.016 0.000 1.282 264 K CA -0.071 56.226 56.287 0.017 0.000 1.259 264 K CB 0.162 32.671 32.500 0.015 0.000 1.546 264 K HN 0.699 nan 8.250 nan 0.000 0.384 265 E N 1.886 122.096 120.200 0.017 0.000 2.046 265 E HA 0.080 4.430 4.350 0.001 0.000 0.279 265 E C -0.554 176.050 176.600 0.006 0.000 0.989 265 E CA -0.238 56.171 56.400 0.015 0.000 0.798 265 E CB 1.038 30.752 29.700 0.023 0.000 1.086 265 E HN 0.262 nan 8.360 nan 0.000 0.399 266 E N 1.493 121.693 120.200 0.000 0.000 2.383 266 E HA 0.238 4.589 4.350 0.001 0.000 0.264 266 E C -0.134 176.449 176.600 -0.028 0.000 1.050 266 E CA -0.351 56.042 56.400 -0.012 0.000 0.896 266 E CB 1.104 30.797 29.700 -0.012 0.000 0.982 266 E HN 0.509 nan 8.360 nan 0.000 0.424 267 A N 3.341 126.129 122.820 -0.053 0.000 2.310 267 A HA 0.164 4.485 4.320 0.001 0.000 0.260 267 A C -0.055 177.443 177.584 -0.144 0.000 1.112 267 A CA 0.013 51.985 52.037 -0.108 0.000 0.804 267 A CB 0.432 19.346 19.000 -0.143 0.000 1.081 267 A HN 0.657 nan 8.150 nan 0.000 0.499 268 E N -0.318 119.741 120.200 -0.236 0.000 2.336 268 E HA 0.253 4.603 4.350 0.001 0.000 0.267 268 E C -1.247 175.115 176.600 -0.397 0.000 0.906 268 E CA -0.935 55.339 56.400 -0.209 0.000 0.781 268 E CB 1.377 31.027 29.700 -0.083 0.000 1.261 268 E HN 0.687 nan 8.360 nan 0.000 0.436 269 D N 0.787 121.042 120.400 -0.242 0.000 2.533 269 D HA -0.108 4.533 4.640 0.001 0.000 0.236 269 D C -0.097 176.050 176.300 -0.254 0.000 1.137 269 D CA 0.781 54.649 54.000 -0.219 0.000 0.867 269 D CB 0.504 41.254 40.800 -0.082 0.000 1.170 269 D HN 0.464 nan 8.370 nan 0.000 0.474 270 Y N 2.788 123.006 120.300 -0.135 0.000 2.546 270 Y HA 0.085 4.636 4.550 0.001 0.000 0.287 270 Y C 1.233 177.012 175.900 -0.201 0.000 1.158 270 Y CA 0.042 57.960 58.100 -0.303 0.000 1.307 270 Y CB 0.009 37.967 38.460 -0.838 0.000 1.036 270 Y HN 0.428 nan 8.280 nan 0.000 0.532 271 R N -0.880 119.643 120.500 0.038 0.000 3.333 271 R HA -0.249 4.091 4.340 0.001 0.000 0.256 271 R C -1.082 175.383 176.300 0.275 0.000 1.010 271 R CA 0.114 56.270 56.100 0.092 0.000 0.680 271 R CB -2.593 27.671 30.300 -0.060 0.000 1.102 271 R HN 0.225 nan 8.270 nan 0.000 0.440 272 Y N 0.935 121.341 120.300 0.176 0.000 2.702 272 Y HA 0.154 4.704 4.550 0.001 0.000 0.336 272 Y C 0.944 177.053 175.900 0.348 0.000 1.235 272 Y CA 1.082 59.259 58.100 0.128 0.000 1.492 272 Y CB 0.286 38.589 38.460 -0.262 0.000 1.308 272 Y HN 0.248 nan 8.280 nan 0.000 0.589 273 F N 1.319 121.392 119.950 0.204 0.000 2.746 273 F HA 0.583 5.110 4.527 0.001 0.000 0.311 273 F C -3.457 172.393 175.800 0.083 0.000 1.135 273 F CA -2.937 55.142 58.000 0.133 0.000 0.954 273 F CB 1.047 40.103 39.000 0.094 0.000 1.276 273 F HN 0.109 nan 8.300 nan 0.000 0.440 274 P HA 0.044 nan 4.420 nan 0.000 0.268 274 P C -0.903 176.043 177.300 -0.591 0.000 1.204 274 P CA 0.242 63.183 63.100 -0.266 0.000 0.768 274 P CB 0.558 32.208 31.700 -0.085 0.000 0.842 275 D N 4.589 124.729 120.400 -0.434 0.000 2.346 275 D HA 0.031 4.672 4.640 0.001 0.000 0.260 275 D C -1.333 174.812 176.300 -0.259 0.000 1.252 275 D CA -1.802 51.919 54.000 -0.464 0.000 0.895 275 D CB 0.632 41.240 40.800 -0.320 0.000 1.097 275 D HN 0.221 nan 8.370 nan 0.000 0.489 276 P HA -0.001 nan 4.420 nan 0.000 0.242 276 P C 0.294 177.565 177.300 -0.049 0.000 1.197 276 P CA 0.304 63.359 63.100 -0.076 0.000 0.765 276 P CB 0.545 32.246 31.700 0.002 0.000 0.936 277 D N -0.257 120.094 120.400 -0.081 0.000 2.355 277 D HA 0.106 4.746 4.640 0.001 0.000 0.218 277 D C 0.682 176.951 176.300 -0.052 0.000 1.004 277 D CA 0.622 54.587 54.000 -0.059 0.000 0.880 277 D CB 0.504 41.258 40.800 -0.077 0.000 0.911 277 D HN 0.285 nan 8.370 nan 0.000 0.528 278 L N 0.841 122.037 121.223 -0.046 0.000 2.410 278 L HA 0.284 4.624 4.340 0.001 0.000 0.270 278 L C 0.047 176.955 176.870 0.062 0.000 0.983 278 L CA -1.134 53.716 54.840 0.016 0.000 0.822 278 L CB 2.574 44.647 42.059 0.023 0.000 1.285 278 L HN -0.254 nan 8.230 nan 0.000 0.409 279 V N 0.441 120.405 119.914 0.083 0.000 3.003 279 V HA 0.501 4.621 4.120 0.001 0.000 0.305 279 V C -2.228 173.936 176.094 0.116 0.000 1.078 279 V CA -1.638 60.710 62.300 0.079 0.000 1.083 279 V CB -0.117 31.745 31.823 0.066 0.000 1.039 279 V HN 0.566 nan 8.190 nan 0.000 0.481 280 P HA 0.226 nan 4.420 nan 0.000 0.268 280 P C -0.603 176.747 177.300 0.082 0.000 1.205 280 P CA -0.334 62.801 63.100 0.059 0.000 0.771 280 P CB 0.290 32.003 31.700 0.023 0.000 0.858 281 L N 3.716 124.971 121.223 0.054 0.000 2.515 281 L HA 0.130 4.471 4.340 0.001 0.000 0.281 281 L C 0.094 177.007 176.870 0.072 0.000 1.131 281 L CA 0.487 55.381 54.840 0.090 0.000 0.905 281 L CB -0.785 41.285 42.059 0.020 0.000 1.246 281 L HN 0.185 nan 8.230 nan 0.000 0.463 282 K N 3.927 124.387 120.400 0.101 0.000 2.253 282 K HA 0.452 4.773 4.320 0.001 0.000 0.277 282 K C -1.069 175.621 176.600 0.149 0.000 1.053 282 K CA -0.530 55.814 56.287 0.096 0.000 0.892 282 K CB 1.333 33.878 32.500 0.076 0.000 1.102 282 K HN 0.388 nan 8.250 nan 0.000 0.469 283 V N 5.536 125.540 119.914 0.150 0.000 2.328 283 V HA 0.144 4.264 4.120 0.001 0.000 0.278 283 V C 0.081 176.291 176.094 0.192 0.000 1.021 283 V CA -0.966 61.471 62.300 0.227 0.000 0.838 283 V CB 0.971 32.875 31.823 0.135 0.000 0.999 283 V HN 0.620 nan 8.190 nan 0.000 0.447 284 K N 3.483 124.027 120.400 0.239 0.000 2.489 284 K HA 0.026 4.346 4.320 0.001 0.000 0.278 284 K C 1.254 177.958 176.600 0.173 0.000 1.000 284 K CA 0.125 56.517 56.287 0.174 0.000 1.012 284 K CB 0.811 33.403 32.500 0.153 0.000 0.903 284 K HN 0.552 nan 8.250 nan 0.000 0.485 285 K N 2.480 122.943 120.400 0.106 0.000 2.147 285 K HA -0.194 4.126 4.320 0.001 0.000 0.205 285 K C 0.917 177.575 176.600 0.098 0.000 1.049 285 K CA 1.571 57.904 56.287 0.078 0.000 0.936 285 K CB 0.276 32.804 32.500 0.047 0.000 0.722 285 K HN 0.391 nan 8.250 nan 0.000 0.446 286 E N -0.225 120.046 120.200 0.117 0.000 2.110 286 E HA -0.203 4.148 4.350 0.001 0.000 0.193 286 E C 1.348 178.068 176.600 0.200 0.000 0.988 286 E CA 1.127 57.599 56.400 0.120 0.000 0.804 286 E CB -0.332 29.422 29.700 0.089 0.000 0.745 286 E HN 0.408 nan 8.360 nan 0.000 0.458 287 W N 1.080 122.385 121.300 0.009 0.000 2.355 287 W HA -0.070 4.591 4.660 0.001 0.000 0.309 287 W C 1.788 178.312 176.519 0.008 0.000 1.206 287 W CA 1.019 58.371 57.345 0.012 0.000 1.284 287 W CB -0.695 28.774 29.460 0.016 0.000 1.145 287 W HN 0.025 nan 8.180 nan 0.000 0.502 288 I N 0.592 121.201 120.570 0.064 0.000 2.118 288 I HA -0.370 3.800 4.170 0.001 0.000 0.241 288 I C 2.357 178.451 176.117 -0.037 0.000 1.070 288 I CA 2.148 63.396 61.300 -0.087 0.000 1.327 288 I CB -0.817 37.142 38.000 -0.068 0.000 1.034 288 I HN -0.032 nan 8.210 nan 0.000 0.405 289 E N 0.317 120.528 120.200 0.020 0.000 2.070 289 E HA -0.321 4.029 4.350 0.001 0.000 0.197 289 E C 2.154 178.776 176.600 0.037 0.000 1.004 289 E CA 1.744 58.158 56.400 0.024 0.000 0.805 289 E CB -0.184 29.540 29.700 0.040 0.000 0.744 289 E HN 0.480 nan 8.360 nan 0.000 0.451 290 E N 0.414 120.665 120.200 0.085 0.000 2.077 290 E HA -0.203 4.148 4.350 0.001 0.000 0.193 290 E C 2.028 178.670 176.600 0.069 0.000 0.989 290 E CA 0.932 57.395 56.400 0.106 0.000 0.800 290 E CB 0.002 29.824 29.700 0.205 0.000 0.746 290 E HN 0.243 nan 8.360 nan 0.000 0.452 291 I N 0.675 121.255 120.570 0.015 0.000 2.286 291 I HA -0.227 3.943 4.170 0.001 0.000 0.245 291 I C 2.628 178.715 176.117 -0.049 0.000 1.104 291 I CA 0.884 62.156 61.300 -0.047 0.000 1.397 291 I CB -0.200 37.693 38.000 -0.178 0.000 1.072 291 I HN 0.062 nan 8.210 nan 0.000 0.417 292 K N 1.636 122.004 120.400 -0.054 0.000 2.020 292 K HA -0.294 4.027 4.320 0.001 0.000 0.212 292 K C 2.262 178.848 176.600 -0.023 0.000 1.050 292 K CA 1.989 58.248 56.287 -0.047 0.000 0.929 292 K CB -0.136 32.337 32.500 -0.046 0.000 0.714 292 K HN 0.155 nan 8.250 nan 0.000 0.443 293 K N 0.124 120.522 120.400 -0.004 0.000 2.057 293 K HA -0.131 4.189 4.320 0.001 0.000 0.207 293 K C 0.796 177.401 176.600 0.010 0.000 1.049 293 K CA 1.718 58.009 56.287 0.007 0.000 0.931 293 K CB -0.028 32.484 32.500 0.019 0.000 0.714 293 K HN 0.154 nan 8.250 nan 0.000 0.440 294 N N 0.975 119.683 118.700 0.013 0.000 2.276 294 N HA 0.015 4.755 4.740 0.001 0.000 0.212 294 N C -0.140 175.372 175.510 0.003 0.000 1.127 294 N CA -0.073 52.987 53.050 0.016 0.000 0.834 294 N CB 0.120 38.627 38.487 0.033 0.000 1.014 294 N HN 0.237 nan 8.380 nan 0.000 0.491 295 M N 1.953 121.547 119.600 -0.011 0.000 2.251 295 M HA 0.122 4.603 4.480 0.001 0.000 0.343 295 M C -2.178 174.117 176.300 -0.009 0.000 1.245 295 M CA -0.949 54.336 55.300 -0.024 0.000 1.061 295 M CB 0.255 32.834 32.600 -0.035 0.000 1.723 295 M HN -0.089 nan 8.290 nan 0.000 0.449 296 P HA 0.018 nan 4.420 nan 0.000 0.270 296 P C -1.218 176.107 177.300 0.040 0.000 1.227 296 P CA -0.245 62.861 63.100 0.011 0.000 0.788 296 P CB 0.307 32.005 31.700 -0.003 0.000 0.926 297 E N 0.988 121.234 120.200 0.076 0.000 2.324 297 E HA 0.127 4.478 4.350 0.001 0.000 0.271 297 E C -0.527 176.182 176.600 0.182 0.000 1.028 297 E CA -0.219 56.246 56.400 0.108 0.000 0.890 297 E CB 0.187 29.961 29.700 0.123 0.000 1.004 297 E HN 0.293 nan 8.360 nan 0.000 0.431 298 L N 5.689 126.955 121.223 0.071 0.000 2.399 298 L HA 0.235 4.576 4.340 0.001 0.000 0.265 298 L C -1.640 175.117 176.870 -0.189 0.000 1.089 298 L CA -2.002 52.818 54.840 -0.034 0.000 0.802 298 L CB 0.758 42.771 42.059 -0.077 0.000 1.180 298 L HN 0.476 nan 8.230 nan 0.000 0.454 299 P HA -0.110 nan 4.420 nan 0.000 0.217 299 P C 0.504 177.674 177.300 -0.215 0.000 1.150 299 P CA 0.994 63.716 63.100 -0.630 0.000 0.832 299 P CB 0.257 31.472 31.700 -0.808 0.000 0.787 300 D N -1.042 119.261 120.400 -0.162 0.000 2.178 300 D HA -0.126 4.515 4.640 0.001 0.000 0.202 300 D C 2.060 178.380 176.300 0.033 0.000 0.974 300 D CA 1.046 55.006 54.000 -0.067 0.000 0.841 300 D CB -0.371 40.386 40.800 -0.073 0.000 0.953 300 D HN 0.308 nan 8.370 nan 0.000 0.478 301 Q N -0.091 119.717 119.800 0.014 0.000 2.049 301 Q HA 0.005 4.346 4.340 0.001 0.000 0.198 301 Q C 2.212 178.261 176.000 0.083 0.000 0.971 301 Q CA 0.535 56.368 55.803 0.050 0.000 0.833 301 Q CB 0.031 28.789 28.738 0.034 0.000 0.896 301 Q HN 0.130 nan 8.270 nan 0.000 0.434 302 R N 0.376 120.925 120.500 0.083 0.000 2.096 302 R HA -0.191 4.150 4.340 0.001 0.000 0.240 302 R C 2.102 178.477 176.300 0.126 0.000 1.139 302 R CA 1.499 57.674 56.100 0.124 0.000 0.952 302 R CB -0.344 30.065 30.300 0.182 0.000 0.854 302 R HN 0.245 nan 8.270 nan 0.000 0.436 303 F N 1.886 121.825 119.950 -0.020 0.000 2.154 303 F HA -0.242 4.286 4.527 0.001 0.000 0.301 303 F C 2.162 177.961 175.800 -0.002 0.000 1.087 303 F CA 1.698 59.682 58.000 -0.025 0.000 1.274 303 F CB 0.090 39.059 39.000 -0.052 0.000 1.009 303 F HN 0.058 nan 8.300 nan 0.000 0.485 304 E N -0.098 120.190 120.200 0.147 0.000 2.112 304 E HA -0.147 4.204 4.350 0.001 0.000 0.190 304 E C 2.288 178.897 176.600 0.015 0.000 0.979 304 E CA 0.680 57.118 56.400 0.063 0.000 0.814 304 E CB -0.547 29.215 29.700 0.103 0.000 0.762 304 E HN 0.453 nan 8.360 nan 0.000 0.460 305 R N 0.895 121.423 120.500 0.047 0.000 2.081 305 R HA -0.054 4.286 4.340 0.001 0.000 0.235 305 R C 2.447 178.802 176.300 0.092 0.000 1.131 305 R CA 0.858 56.996 56.100 0.064 0.000 0.960 305 R CB -0.181 30.174 30.300 0.092 0.000 0.856 305 R HN 0.121 nan 8.270 nan 0.000 0.436 306 L N 0.474 121.748 121.223 0.086 0.000 2.056 306 L HA -0.170 4.171 4.340 0.001 0.000 0.207 306 L C 2.480 179.403 176.870 0.088 0.000 1.078 306 L CA 1.192 56.132 54.840 0.166 0.000 0.749 306 L CB -0.462 41.567 42.059 -0.050 0.000 0.901 306 L HN 0.255 nan 8.230 nan 0.000 0.433 307 I N -0.045 120.473 120.570 -0.087 0.000 2.248 307 I HA -0.329 3.841 4.170 0.001 0.000 0.248 307 I C 2.563 178.667 176.117 -0.021 0.000 1.107 307 I CA 1.555 62.796 61.300 -0.098 0.000 1.373 307 I CB -0.295 37.603 38.000 -0.169 0.000 1.055 307 I HN 0.261 nan 8.210 nan 0.000 0.418 308 K N 0.581 120.977 120.400 -0.007 0.000 2.005 308 K HA -0.122 4.199 4.320 0.001 0.000 0.206 308 K C 2.120 178.697 176.600 -0.038 0.000 1.044 308 K CA 0.997 57.276 56.287 -0.013 0.000 0.942 308 K CB -0.050 32.443 32.500 -0.012 0.000 0.727 308 K HN 0.142 nan 8.250 nan 0.000 0.439 309 E N -0.904 119.259 120.200 -0.061 0.000 2.268 309 E HA -0.135 4.215 4.350 0.001 0.000 0.195 309 E C 0.264 176.569 176.600 -0.492 0.000 0.995 309 E CA 1.039 57.262 56.400 -0.295 0.000 0.836 309 E CB 0.327 29.793 29.700 -0.391 0.000 0.763 309 E HN 0.370 nan 8.360 nan 0.000 0.491 310 Y N -2.208 118.115 120.300 0.039 0.000 2.728 310 Y HA 0.288 4.839 4.550 0.001 0.000 0.256 310 Y C 0.969 176.889 175.900 0.034 0.000 1.112 310 Y CA -0.049 58.097 58.100 0.077 0.000 1.240 310 Y CB 1.289 39.874 38.460 0.208 0.000 1.337 310 Y HN 0.027 nan 8.280 nan 0.000 0.559 311 G N 1.827 110.693 108.800 0.109 0.000 2.321 311 G HA2 -0.309 3.652 3.960 0.001 0.000 0.287 311 G HA3 -0.309 3.652 3.960 0.001 0.000 0.287 311 G C 0.110 175.029 174.900 0.031 0.000 1.018 311 G CA 0.379 45.509 45.100 0.050 0.000 0.855 311 G HN 0.328 nan 8.290 nan 0.000 0.507 312 L N 0.409 121.635 121.223 0.006 0.000 2.464 312 L HA 0.468 4.809 4.340 0.001 0.000 0.264 312 L C 1.439 178.256 176.870 -0.088 0.000 1.199 312 L CA -0.010 54.788 54.840 -0.069 0.000 0.818 312 L CB 0.784 42.732 42.059 -0.186 0.000 1.102 312 L HN 0.434 nan 8.230 nan 0.000 0.473 313 S N -0.491 115.171 115.700 -0.063 0.000 2.632 313 S HA 0.158 4.628 4.470 0.001 0.000 0.271 313 S C 0.659 175.223 174.600 -0.059 0.000 1.260 313 S CA -0.785 57.402 58.200 -0.022 0.000 1.010 313 S CB 1.382 64.618 63.200 0.061 0.000 0.965 313 S HN 0.653 nan 8.310 nan 0.000 0.534 314 E N 0.029 120.230 120.200 0.001 0.000 2.267 314 E HA -0.191 4.160 4.350 0.001 0.000 0.197 314 E C 1.282 178.001 176.600 0.198 0.000 0.998 314 E CA 1.383 57.833 56.400 0.083 0.000 0.830 314 E CB -0.265 29.580 29.700 0.242 0.000 0.751 314 E HN 0.874 nan 8.360 nan 0.000 0.491 315 Y N 1.353 121.676 120.300 0.039 0.000 2.243 315 Y HA -0.088 4.463 4.550 0.001 0.000 0.293 315 Y C 1.952 177.852 175.900 -0.000 0.000 1.124 315 Y CA 1.325 59.447 58.100 0.037 0.000 1.159 315 Y CB 0.142 38.608 38.460 0.011 0.000 1.008 315 Y HN -0.093 nan 8.280 nan 0.000 0.527 316 E N 0.458 120.535 120.200 -0.204 0.000 2.051 316 E HA -0.189 4.161 4.350 0.001 0.000 0.192 316 E C 2.349 178.750 176.600 -0.332 0.000 0.991 316 E CA 1.177 57.380 56.400 -0.328 0.000 0.799 316 E CB -0.324 29.271 29.700 -0.175 0.000 0.748 316 E HN 0.588 nan 8.360 nan 0.000 0.449 317 A N 0.936 123.571 122.820 -0.309 0.000 1.933 317 A HA -0.088 4.233 4.320 0.001 0.000 0.218 317 A C 2.343 179.879 177.584 -0.079 0.000 1.175 317 A CA 1.629 53.456 52.037 -0.351 0.000 0.628 317 A CB -1.085 17.499 19.000 -0.693 0.000 0.814 317 A HN 0.372 nan 8.150 nan 0.000 0.444 318 G N 0.293 109.179 108.800 0.143 0.000 2.480 318 G HA2 -0.246 3.714 3.960 0.001 0.000 0.216 318 G HA3 -0.246 3.714 3.960 0.001 0.000 0.216 318 G C 1.538 176.455 174.900 0.029 0.000 1.200 318 G CA 1.142 46.398 45.100 0.259 0.000 0.782 318 G HN 0.449 nan 8.290 nan 0.000 0.554 319 I N 0.461 120.951 120.570 -0.133 0.000 2.113 319 I HA -0.228 3.942 4.170 0.001 0.000 0.242 319 I C 2.741 178.815 176.117 -0.071 0.000 1.064 319 I CA 1.103 62.313 61.300 -0.150 0.000 1.320 319 I CB -0.184 37.631 38.000 -0.309 0.000 1.028 319 I HN 0.138 nan 8.210 nan 0.000 0.406 320 L N -0.418 120.736 121.223 -0.115 0.000 2.201 320 L HA -0.150 4.190 4.340 0.001 0.000 0.212 320 L C 2.353 179.246 176.870 0.039 0.000 1.105 320 L CA 0.904 55.690 54.840 -0.089 0.000 0.775 320 L CB -0.338 41.584 42.059 -0.228 0.000 0.913 320 L HN 0.167 nan 8.230 nan 0.000 0.440 321 V N -0.465 119.503 119.914 0.089 0.000 2.492 321 V HA -0.112 4.009 4.120 0.001 0.000 0.241 321 V C 2.120 178.332 176.094 0.197 0.000 1.041 321 V CA 0.983 63.395 62.300 0.188 0.000 1.057 321 V CB -0.378 31.561 31.823 0.192 0.000 0.711 321 V HN 0.422 nan 8.190 nan 0.000 0.468 322 N N -0.034 118.734 118.700 0.113 0.000 2.104 322 N HA -0.161 4.580 4.740 0.001 0.000 0.190 322 N C 1.154 176.759 175.510 0.159 0.000 1.024 322 N CA 1.241 54.344 53.050 0.088 0.000 0.853 322 N CB -0.405 38.102 38.487 0.033 0.000 1.008 322 N HN 0.436 nan 8.380 nan 0.000 0.424 323 H N 1.760 120.865 119.070 0.058 0.000 2.741 323 H HA 0.182 4.738 4.556 0.001 0.000 0.261 323 H C 0.973 176.340 175.328 0.065 0.000 1.365 323 H CA -0.203 55.876 56.048 0.052 0.000 1.266 323 H CB 0.170 29.939 29.762 0.011 0.000 1.485 323 H HN 0.067 nan 8.280 nan 0.000 0.529 324 K N 2.924 123.521 120.400 0.328 0.000 2.059 324 K HA -0.234 4.086 4.320 0.001 0.000 0.212 324 K C 0.901 177.552 176.600 0.085 0.000 1.050 324 K CA 2.117 58.485 56.287 0.136 0.000 0.927 324 K CB 0.375 32.729 32.500 -0.243 0.000 0.714 324 K HN 0.433 nan 8.250 nan 0.000 0.447 325 E N 0.088 120.377 120.200 0.150 0.000 2.265 325 E HA -0.128 4.222 4.350 0.001 0.000 0.196 325 E C 1.779 178.373 176.600 -0.009 0.000 0.996 325 E CA 0.971 57.407 56.400 0.062 0.000 0.832 325 E CB 0.058 29.828 29.700 0.116 0.000 0.756 325 E HN 0.155 nan 8.360 nan 0.000 0.491 326 V N -0.021 119.809 119.914 -0.141 0.000 2.407 326 V HA -0.099 4.021 4.120 0.001 0.000 0.245 326 V C 2.263 178.398 176.094 0.068 0.000 1.041 326 V CA 1.820 64.043 62.300 -0.129 0.000 1.040 326 V CB -0.993 30.673 31.823 -0.261 0.000 0.671 326 V HN 0.414 nan 8.190 nan 0.000 0.455 327 G N -0.100 108.735 108.800 0.058 0.000 2.422 327 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 327 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 327 G C 1.217 176.214 174.900 0.161 0.000 1.146 327 G CA 1.015 46.172 45.100 0.096 0.000 0.769 327 G HN 0.482 nan 8.290 nan 0.000 0.547 328 D N -0.020 120.448 120.400 0.112 0.000 2.123 328 D HA -0.112 4.529 4.640 0.001 0.000 0.196 328 D C 1.943 178.306 176.300 0.106 0.000 0.992 328 D CA 0.535 54.586 54.000 0.085 0.000 0.833 328 D CB -0.396 40.431 40.800 0.045 0.000 0.954 328 D HN 0.324 nan 8.370 nan 0.000 0.455 329 F N 0.537 120.489 119.950 0.005 0.000 2.051 329 F HA -0.225 4.302 4.527 0.001 0.000 0.296 329 F C 2.250 178.057 175.800 0.013 0.000 1.122 329 F CA 1.297 59.294 58.000 -0.006 0.000 1.201 329 F CB -0.473 38.515 39.000 -0.020 0.000 0.978 329 F HN -0.083 nan 8.300 nan 0.000 0.472 330 F N 1.414 121.498 119.950 0.224 0.000 2.115 330 F HA -0.286 4.241 4.527 0.001 0.000 0.300 330 F C 2.248 178.010 175.800 -0.063 0.000 1.092 330 F CA 2.426 60.468 58.000 0.069 0.000 1.245 330 F CB -0.644 38.334 39.000 -0.036 0.000 0.995 330 F HN 0.119 nan 8.300 nan 0.000 0.481 331 E N -0.406 119.746 120.200 -0.079 0.000 2.152 331 E HA -0.208 4.143 4.350 0.001 0.000 0.192 331 E C 2.120 178.625 176.600 -0.157 0.000 0.983 331 E CA 0.969 57.260 56.400 -0.182 0.000 0.818 331 E CB -0.251 29.472 29.700 0.038 0.000 0.758 331 E HN 0.604 nan 8.360 nan 0.000 0.467 332 E N 0.384 120.500 120.200 -0.141 0.000 2.152 332 E HA -0.134 4.217 4.350 0.001 0.000 0.192 332 E C 1.872 178.421 176.600 -0.086 0.000 0.983 332 E CA 0.711 57.045 56.400 -0.111 0.000 0.818 332 E CB 0.096 29.700 29.700 -0.160 0.000 0.758 332 E HN 0.189 nan 8.360 nan 0.000 0.467 333 A N 0.657 123.336 122.820 -0.235 0.000 1.855 333 A HA -0.085 4.236 4.320 0.001 0.000 0.213 333 A C 2.308 179.820 177.584 -0.120 0.000 1.195 333 A CA 1.009 52.929 52.037 -0.195 0.000 0.610 333 A CB -0.860 18.009 19.000 -0.218 0.000 0.837 333 A HN 0.246 nan 8.150 nan 0.000 0.444 334 V N 0.124 119.849 119.914 -0.316 0.000 2.546 334 V HA -0.265 3.855 4.120 0.001 0.000 0.254 334 V C 2.469 178.515 176.094 -0.079 0.000 1.076 334 V CA 2.667 64.811 62.300 -0.260 0.000 1.087 334 V CB -0.737 30.812 31.823 -0.457 0.000 0.674 334 V HN 0.635 nan 8.190 nan 0.000 0.470 335 R N -1.437 119.034 120.500 -0.049 0.000 2.090 335 R HA -0.108 4.232 4.340 0.001 0.000 0.228 335 R C 2.189 178.466 176.300 -0.039 0.000 1.110 335 R CA 1.683 57.762 56.100 -0.035 0.000 0.973 335 R CB -0.263 30.004 30.300 -0.055 0.000 0.869 335 R HN 0.704 nan 8.270 nan 0.000 0.440 336 H N -2.194 116.858 119.070 -0.030 0.000 2.428 336 H HA 0.021 4.578 4.556 0.001 0.000 0.296 336 H C -0.582 174.828 175.328 0.136 0.000 1.062 336 H CA 1.311 57.371 56.048 0.019 0.000 1.350 336 H CB 0.265 30.019 29.762 -0.013 0.000 1.403 336 H HN 0.019 nan 8.280 nan 0.000 0.533 337 F N 0.183 120.162 119.950 0.049 0.000 2.787 337 F HA 0.252 4.780 4.527 0.001 0.000 0.340 337 F C -0.598 175.205 175.800 0.005 0.000 1.232 337 F CA -1.517 56.495 58.000 0.018 0.000 1.051 337 F CB 1.051 40.063 39.000 0.019 0.000 1.330 337 F HN -0.333 nan 8.300 nan 0.000 0.522 338 K N 3.642 123.899 120.400 -0.239 0.000 3.233 338 K HA 0.068 4.389 4.320 0.001 0.000 0.283 338 K C -0.276 176.060 176.600 -0.439 0.000 1.209 338 K CA 0.213 56.346 56.287 -0.257 0.000 1.197 338 K CB -0.179 32.249 32.500 -0.120 0.000 1.431 338 K HN 0.456 nan 8.250 nan 0.000 0.326 339 E N 1.261 121.054 120.200 -0.678 0.000 2.376 339 E HA 0.154 4.504 4.350 0.001 0.000 0.236 339 E C -2.158 174.339 176.600 -0.173 0.000 0.962 339 E CA -2.717 53.374 56.400 -0.514 0.000 0.768 339 E CB 1.033 30.225 29.700 -0.847 0.000 1.236 339 E HN 0.129 nan 8.360 nan 0.000 0.431 340 P HA -0.124 nan 4.420 nan 0.000 0.215 340 P C 1.211 178.652 177.300 0.236 0.000 1.157 340 P CA 0.853 64.060 63.100 0.178 0.000 0.856 340 P CB 0.331 32.243 31.700 0.354 0.000 0.786 341 K N 0.184 120.676 120.400 0.154 0.000 2.074 341 K HA -0.120 4.201 4.320 0.001 0.000 0.209 341 K C 2.268 178.961 176.600 0.154 0.000 1.048 341 K CA 2.013 58.380 56.287 0.134 0.000 0.926 341 K CB -1.021 31.532 32.500 0.088 0.000 0.713 341 K HN 0.095 nan 8.250 nan 0.000 0.444 342 G N 1.270 110.164 108.800 0.158 0.000 2.404 342 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 342 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 342 G C 1.553 176.656 174.900 0.340 0.000 1.174 342 G CA 0.775 46.025 45.100 0.249 0.000 0.780 342 G HN 0.258 nan 8.290 nan 0.000 0.537 343 I N 1.153 121.883 120.570 0.267 0.000 2.226 343 I HA -0.180 3.991 4.170 0.001 0.000 0.245 343 I C 2.892 179.227 176.117 0.363 0.000 1.100 343 I CA 1.077 62.554 61.300 0.295 0.000 1.374 343 I CB -0.219 37.864 38.000 0.138 0.000 1.057 343 I HN 0.150 nan 8.210 nan 0.000 0.413 344 V N -0.592 119.544 119.914 0.370 0.000 2.490 344 V HA -0.207 3.914 4.120 0.001 0.000 0.250 344 V C 2.076 178.248 176.094 0.130 0.000 1.061 344 V CA 1.801 64.235 62.300 0.223 0.000 1.064 344 V CB -1.187 30.664 31.823 0.046 0.000 0.670 344 V HN 0.377 nan 8.190 nan 0.000 0.461 345 N N 0.272 119.049 118.700 0.128 0.000 2.058 345 N HA -0.147 4.594 4.740 0.001 0.000 0.191 345 N C 1.427 176.920 175.510 -0.028 0.000 1.037 345 N CA 2.181 55.232 53.050 0.001 0.000 0.848 345 N CB -0.652 37.793 38.487 -0.071 0.000 1.021 345 N HN 0.698 nan 8.380 nan 0.000 0.422 346 W N 0.656 122.005 121.300 0.082 0.000 2.519 346 W HA 0.103 4.763 4.660 0.001 0.000 0.266 346 W C 1.988 178.544 176.519 0.060 0.000 1.253 346 W CA -0.172 57.217 57.345 0.073 0.000 1.274 346 W CB -0.328 29.185 29.460 0.088 0.000 1.114 346 W HN 0.076 nan 8.180 nan 0.000 0.596 347 L N 0.148 121.528 121.223 0.263 0.000 2.023 347 L HA -0.051 4.290 4.340 0.001 0.000 0.205 347 L C 1.973 178.866 176.870 0.038 0.000 1.073 347 L CA 1.942 56.865 54.840 0.139 0.000 0.745 347 L CB -0.897 41.266 42.059 0.173 0.000 0.900 347 L HN -0.044 nan 8.230 nan 0.000 0.435 348 I N -0.233 120.351 120.570 0.022 0.000 2.233 348 I HA -0.212 3.959 4.170 0.001 0.000 0.243 348 I C 1.856 177.969 176.117 -0.007 0.000 1.093 348 I CA 1.005 62.296 61.300 -0.016 0.000 1.380 348 I CB -0.420 37.565 38.000 -0.024 0.000 1.067 348 I HN 0.344 nan 8.210 nan 0.000 0.413 349 N N 0.214 118.899 118.700 -0.025 0.000 2.300 349 N HA -0.088 4.652 4.740 0.001 0.000 0.179 349 N C 1.169 176.647 175.510 -0.052 0.000 1.016 349 N CA 1.108 54.120 53.050 -0.062 0.000 0.876 349 N CB 0.008 38.403 38.487 -0.154 0.000 0.979 349 N HN 0.425 nan 8.380 nan 0.000 0.432 350 D N -0.422 119.976 120.400 -0.005 0.000 3.161 350 D HA 0.017 4.657 4.640 0.001 0.000 0.287 350 D C 1.837 178.190 176.300 0.089 0.000 1.343 350 D CA -0.107 53.937 54.000 0.073 0.000 1.070 350 D CB 0.000 40.935 40.800 0.226 0.000 1.188 350 D HN -0.040 nan 8.370 nan 0.000 0.409 351 L N 2.108 123.392 121.223 0.102 0.000 2.005 351 L HA -0.094 4.247 4.340 0.001 0.000 0.207 351 L C 2.199 179.051 176.870 -0.029 0.000 1.072 351 L CA 1.357 56.221 54.840 0.041 0.000 0.744 351 L CB -0.758 41.310 42.059 0.016 0.000 0.895 351 L HN 0.005 nan 8.230 nan 0.000 0.433 352 L N -0.041 121.145 121.223 -0.061 0.000 1.997 352 L HA -0.224 4.116 4.340 0.001 0.000 0.216 352 L C 2.560 179.410 176.870 -0.034 0.000 1.074 352 L CA 2.273 57.067 54.840 -0.077 0.000 0.763 352 L CB -2.271 39.742 42.059 -0.077 0.000 0.890 352 L HN 0.526 nan 8.230 nan 0.000 0.434 353 G N -0.832 107.961 108.800 -0.011 0.000 2.422 353 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 353 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 353 G C 1.818 176.722 174.900 0.006 0.000 1.146 353 G CA 0.500 45.601 45.100 0.001 0.000 0.769 353 G HN 0.302 nan 8.290 nan 0.000 0.547 354 L N -0.218 121.012 121.223 0.012 0.000 2.056 354 L HA 0.020 4.361 4.340 0.001 0.000 0.207 354 L C 2.887 179.762 176.870 0.009 0.000 1.078 354 L CA 0.603 55.454 54.840 0.018 0.000 0.749 354 L CB -0.266 41.813 42.059 0.034 0.000 0.901 354 L HN 0.198 nan 8.230 nan 0.000 0.433 355 L N -1.066 120.153 121.223 -0.007 0.000 2.093 355 L HA -0.164 4.176 4.340 0.001 0.000 0.208 355 L C 2.782 179.650 176.870 -0.003 0.000 1.085 355 L CA 0.973 55.806 54.840 -0.012 0.000 0.755 355 L CB -0.490 41.544 42.059 -0.043 0.000 0.904 355 L HN 0.180 nan 8.230 nan 0.000 0.435 356 R N 0.154 120.653 120.500 -0.003 0.000 2.091 356 R HA -0.185 4.156 4.340 0.001 0.000 0.238 356 R C 1.876 178.182 176.300 0.011 0.000 1.136 356 R CA 1.763 57.868 56.100 0.008 0.000 0.959 356 R CB -0.454 29.851 30.300 0.009 0.000 0.856 356 R HN 0.357 nan 8.270 nan 0.000 0.437 357 D N 0.321 120.728 120.400 0.011 0.000 2.144 357 D HA -0.128 4.513 4.640 0.001 0.000 0.199 357 D C 1.695 178.003 176.300 0.014 0.000 0.984 357 D CA 1.256 55.264 54.000 0.013 0.000 0.834 357 D CB 0.001 40.810 40.800 0.014 0.000 0.955 357 D HN 0.240 nan 8.370 nan 0.000 0.465 358 K N -0.883 119.525 120.400 0.014 0.000 2.116 358 K HA 0.107 4.428 4.320 0.001 0.000 0.203 358 K C 1.367 177.976 176.600 0.015 0.000 1.052 358 K CA 0.964 57.259 56.287 0.015 0.000 0.952 358 K CB 0.427 32.936 32.500 0.015 0.000 0.729 358 K HN 0.201 nan 8.250 nan 0.000 0.446 359 G N 1.898 110.707 108.800 0.015 0.000 2.168 359 G HA2 -0.203 3.758 3.960 0.001 0.000 0.197 359 G HA3 -0.203 3.758 3.960 0.001 0.000 0.197 359 G C -0.064 174.848 174.900 0.019 0.000 0.997 359 G CA -0.143 44.967 45.100 0.017 0.000 0.658 359 G HN 0.326 nan 8.290 nan 0.000 0.513 360 I N 2.618 123.198 120.570 0.016 0.000 2.342 360 I HA 0.640 4.811 4.170 0.001 0.000 0.291 360 I C 0.821 176.947 176.117 0.014 0.000 1.010 360 I CA -0.106 61.205 61.300 0.017 0.000 1.308 360 I CB 1.117 39.127 38.000 0.016 0.000 1.400 360 I HN 0.350 nan 8.210 nan 0.000 0.488 361 S N 5.909 121.625 115.700 0.027 0.000 2.585 361 S HA 0.135 4.605 4.470 0.001 0.000 0.273 361 S C 0.975 175.578 174.600 0.004 0.000 1.339 361 S CA -0.615 57.608 58.200 0.039 0.000 1.028 361 S CB 1.421 64.662 63.200 0.069 0.000 0.906 361 S HN 0.783 nan 8.310 nan 0.000 0.528 362 I N 1.323 121.868 120.570 -0.042 0.000 2.454 362 I HA -0.086 4.085 4.170 0.001 0.000 0.254 362 I C 1.965 178.078 176.117 -0.006 0.000 1.156 362 I CA 1.413 62.634 61.300 -0.132 0.000 1.433 362 I CB -0.598 37.210 38.000 -0.320 0.000 1.082 362 I HN 0.815 nan 8.210 nan 0.000 0.432 363 E N 0.311 120.538 120.200 0.045 0.000 2.118 363 E HA -0.237 4.114 4.350 0.001 0.000 0.195 363 E C 1.653 178.299 176.600 0.076 0.000 0.992 363 E CA 1.480 57.927 56.400 0.078 0.000 0.804 363 E CB -0.140 29.604 29.700 0.073 0.000 0.741 363 E HN 0.539 nan 8.360 nan 0.000 0.458 364 E N 0.077 120.312 120.200 0.058 0.000 2.548 364 E HA 0.088 4.439 4.350 0.001 0.000 0.206 364 E C -0.422 176.210 176.600 0.054 0.000 1.005 364 E CA -0.192 56.240 56.400 0.053 0.000 0.951 364 E CB 0.673 30.398 29.700 0.042 0.000 1.035 364 E HN 0.099 nan 8.360 nan 0.000 0.470 365 S N 0.600 116.337 115.700 0.061 0.000 2.560 365 S HA 0.076 4.547 4.470 0.001 0.000 0.284 365 S C -1.617 173.037 174.600 0.089 0.000 1.327 365 S CA -1.103 57.130 58.200 0.056 0.000 1.055 365 S CB 1.060 64.269 63.200 0.013 0.000 0.868 365 S HN -0.146 nan 8.310 nan 0.000 0.506 366 P HA 0.006 nan 4.420 nan 0.000 0.217 366 P C -0.114 177.286 177.300 0.166 0.000 1.150 366 P CA 0.473 63.634 63.100 0.102 0.000 0.832 366 P CB -0.088 31.659 31.700 0.078 0.000 0.787 367 V N 1.663 121.683 119.914 0.176 0.000 2.397 367 V HA 0.025 4.146 4.120 0.001 0.000 0.262 367 V C 0.728 176.948 176.094 0.211 0.000 1.047 367 V CA 0.014 62.462 62.300 0.247 0.000 1.003 367 V CB -0.397 31.555 31.823 0.215 0.000 1.037 367 V HN 0.059 nan 8.190 nan 0.000 0.480 368 K N 6.346 126.667 120.400 -0.132 0.000 2.154 368 K HA 0.279 4.599 4.320 0.001 0.000 0.264 368 K C -1.551 174.746 176.600 -0.505 0.000 1.008 368 K CA -1.524 54.535 56.287 -0.381 0.000 0.937 368 K CB 0.730 32.828 32.500 -0.670 0.000 1.002 368 K HN 0.221 nan 8.250 nan 0.000 0.469 369 P HA -0.257 nan 4.420 nan 0.000 0.218 369 P C 0.215 177.175 177.300 -0.567 0.000 1.152 369 P CA 1.509 64.060 63.100 -0.915 0.000 0.857 369 P CB 0.231 31.371 31.700 -0.933 0.000 0.787 370 E N -1.879 117.886 120.200 -0.725 0.000 2.097 370 E HA -0.228 4.122 4.350 0.001 0.000 0.196 370 E C 1.951 178.426 176.600 -0.209 0.000 1.000 370 E CA 1.323 57.297 56.400 -0.710 0.000 0.804 370 E CB -0.883 28.432 29.700 -0.642 0.000 0.740 370 E HN 0.484 nan 8.360 nan 0.000 0.454 371 H N -0.577 118.380 119.070 -0.187 0.000 2.428 371 H HA 0.016 4.573 4.556 0.001 0.000 0.296 371 H C 2.034 177.321 175.328 -0.068 0.000 1.062 371 H CA 0.805 56.792 56.048 -0.100 0.000 1.350 371 H CB -0.475 29.256 29.762 -0.052 0.000 1.403 371 H HN 0.108 nan 8.280 nan 0.000 0.533 372 L N 0.633 121.905 121.223 0.082 0.000 2.072 372 L HA 0.069 4.410 4.340 0.001 0.000 0.205 372 L C 2.431 179.326 176.870 0.041 0.000 1.079 372 L CA 1.451 56.342 54.840 0.084 0.000 0.752 372 L CB -0.669 41.519 42.059 0.214 0.000 0.906 372 L HN 0.182 nan 8.230 nan 0.000 0.436 373 A N -0.982 121.855 122.820 0.028 0.000 1.933 373 A HA -0.251 4.070 4.320 0.001 0.000 0.218 373 A C 2.303 179.926 177.584 0.066 0.000 1.175 373 A CA 1.847 53.952 52.037 0.113 0.000 0.628 373 A CB -0.636 18.432 19.000 0.113 0.000 0.814 373 A HN 0.594 nan 8.150 nan 0.000 0.444 374 E N -0.601 119.583 120.200 -0.026 0.000 2.028 374 E HA -0.183 4.168 4.350 0.001 0.000 0.191 374 E C 1.965 178.486 176.600 -0.132 0.000 0.988 374 E CA 1.268 57.609 56.400 -0.097 0.000 0.799 374 E CB -0.207 29.456 29.700 -0.063 0.000 0.755 374 E HN 0.445 nan 8.360 nan 0.000 0.447 375 L N 0.799 121.950 121.223 -0.121 0.000 2.013 375 L HA -0.194 4.146 4.340 0.001 0.000 0.212 375 L C 2.310 179.021 176.870 -0.265 0.000 1.073 375 L CA 1.546 56.261 54.840 -0.210 0.000 0.753 375 L CB -0.639 41.267 42.059 -0.254 0.000 0.890 375 L HN 0.033 nan 8.230 nan 0.000 0.432 376 V N -0.088 119.713 119.914 -0.188 0.000 2.392 376 V HA -0.322 3.799 4.120 0.001 0.000 0.249 376 V C 2.695 178.826 176.094 0.061 0.000 1.059 376 V CA 2.085 64.335 62.300 -0.083 0.000 1.051 376 V CB -0.771 31.134 31.823 0.137 0.000 0.658 376 V HN 0.543 nan 8.190 nan 0.000 0.455 377 K N 0.093 120.444 120.400 -0.082 0.000 2.032 377 K HA -0.182 4.139 4.320 0.001 0.000 0.209 377 K C 2.061 178.527 176.600 -0.224 0.000 1.048 377 K CA 1.708 57.727 56.287 -0.446 0.000 0.927 377 K CB -0.260 31.719 32.500 -0.868 0.000 0.712 377 K HN 0.442 nan 8.250 nan 0.000 0.441 378 L N 1.072 122.185 121.223 -0.183 0.000 2.265 378 L HA -0.180 4.160 4.340 0.001 0.000 0.215 378 L C 2.250 179.077 176.870 -0.072 0.000 1.117 378 L CA 0.365 55.131 54.840 -0.123 0.000 0.782 378 L CB -0.388 41.594 42.059 -0.128 0.000 0.914 378 L HN 0.208 nan 8.230 nan 0.000 0.441 379 I N 0.146 120.678 120.570 -0.064 0.000 2.333 379 I HA -0.177 3.994 4.170 0.001 0.000 0.246 379 I C 2.550 178.716 176.117 0.080 0.000 1.106 379 I CA 1.218 62.524 61.300 0.011 0.000 1.411 379 I CB -0.809 37.199 38.000 0.013 0.000 1.082 379 I HN 0.207 nan 8.210 nan 0.000 0.420 380 K N 1.867 122.335 120.400 0.114 0.000 2.001 380 K HA -0.148 4.172 4.320 0.001 0.000 0.208 380 K C 1.694 178.350 176.600 0.094 0.000 1.048 380 K CA 1.529 57.909 56.287 0.155 0.000 0.932 380 K CB -0.163 32.515 32.500 0.298 0.000 0.715 380 K HN 0.231 nan 8.250 nan 0.000 0.437 381 E N 0.495 120.721 120.200 0.042 0.000 2.485 381 E HA -0.010 4.341 4.350 0.001 0.000 0.194 381 E C -0.410 176.194 176.600 0.006 0.000 1.098 381 E CA 0.096 56.503 56.400 0.012 0.000 0.878 381 E CB 0.085 29.762 29.700 -0.037 0.000 0.939 381 E HN 0.222 nan 8.360 nan 0.000 0.503 382 K N -1.110 119.301 120.400 0.019 0.000 3.130 382 K HA -0.236 4.085 4.320 0.001 0.000 0.282 382 K C 0.922 177.524 176.600 0.003 0.000 1.145 382 K CA 0.372 56.670 56.287 0.019 0.000 0.831 382 K CB -1.758 30.757 32.500 0.026 0.000 1.226 382 K HN 0.068 nan 8.250 nan 0.000 0.478 383 V N 0.370 120.275 119.914 -0.015 0.000 2.427 383 V HA -0.135 3.985 4.120 0.001 0.000 0.248 383 V C 1.349 177.430 176.094 -0.022 0.000 1.051 383 V CA 2.114 64.398 62.300 -0.026 0.000 1.048 383 V CB -0.564 31.230 31.823 -0.047 0.000 0.666 383 V HN 0.431 nan 8.190 nan 0.000 0.456 384 I N -2.836 117.721 120.570 -0.022 0.000 3.108 384 I HA 0.694 4.864 4.170 0.001 0.000 0.312 384 I C 0.005 176.130 176.117 0.014 0.000 1.095 384 I CA -0.750 60.543 61.300 -0.012 0.000 1.000 384 I CB 2.064 40.045 38.000 -0.031 0.000 1.229 384 I HN 0.002 nan 8.210 nan 0.000 0.454 385 S N 0.735 116.453 115.700 0.030 0.000 2.632 385 S HA 0.292 4.763 4.470 0.001 0.000 0.271 385 S C 0.888 175.549 174.600 0.101 0.000 1.260 385 S CA -0.021 58.215 58.200 0.061 0.000 1.010 385 S CB 1.296 64.528 63.200 0.054 0.000 0.965 385 S HN 0.756 nan 8.310 nan 0.000 0.534 386 T N 1.567 116.215 114.554 0.157 0.000 2.685 386 T HA -0.187 4.164 4.350 0.001 0.000 0.268 386 T C 1.669 176.514 174.700 0.242 0.000 1.034 386 T CA 1.761 64.024 62.100 0.272 0.000 1.149 386 T CB -0.455 68.548 68.868 0.226 0.000 0.860 386 T HN 0.699 nan 8.240 nan 0.000 0.449 387 K N 0.327 120.812 120.400 0.142 0.000 2.063 387 K HA -0.094 4.227 4.320 0.001 0.000 0.208 387 K C 2.171 178.832 176.600 0.101 0.000 1.048 387 K CA 1.203 57.556 56.287 0.109 0.000 0.928 387 K CB -0.171 32.371 32.500 0.069 0.000 0.713 387 K HN 0.273 nan 8.250 nan 0.000 0.442 388 I N 0.237 120.854 120.570 0.078 0.000 2.406 388 I HA -0.097 4.073 4.170 0.001 0.000 0.249 388 I C 2.474 178.614 176.117 0.038 0.000 1.122 388 I CA 1.136 62.464 61.300 0.046 0.000 1.431 388 I CB -1.523 36.490 38.000 0.021 0.000 1.087 388 I HN 0.261 nan 8.210 nan 0.000 0.424 389 G N 1.154 109.980 108.800 0.043 0.000 2.469 389 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 389 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 389 G C 1.834 176.777 174.900 0.072 0.000 1.136 389 G CA 0.625 45.695 45.100 -0.049 0.000 0.759 389 G HN 0.332 nan 8.290 nan 0.000 0.562 390 K N -0.024 120.548 120.400 0.286 0.000 2.217 390 K HA 0.031 4.351 4.320 0.001 0.000 0.202 390 K C 2.417 179.113 176.600 0.159 0.000 1.051 390 K CA 0.832 57.308 56.287 0.315 0.000 0.952 390 K CB 0.010 32.666 32.500 0.260 0.000 0.736 390 K HN 0.395 nan 8.250 nan 0.000 0.453 391 E N 0.100 120.360 120.200 0.100 0.000 2.076 391 E HA -0.128 4.222 4.350 0.001 0.000 0.190 391 E C 1.962 178.583 176.600 0.036 0.000 0.979 391 E CA 1.300 57.735 56.400 0.058 0.000 0.807 391 E CB 0.178 29.903 29.700 0.041 0.000 0.761 391 E HN 0.193 nan 8.360 nan 0.000 0.454 392 V N -0.531 119.392 119.914 0.015 0.000 2.809 392 V HA -0.104 4.017 4.120 0.001 0.000 0.256 392 V C 2.125 178.215 176.094 -0.007 0.000 1.080 392 V CA 1.005 63.297 62.300 -0.013 0.000 1.102 392 V CB -0.403 31.392 31.823 -0.046 0.000 0.705 392 V HN 0.152 nan 8.190 nan 0.000 0.475 393 I N -0.087 120.493 120.570 0.017 0.000 2.315 393 I HA -0.137 4.033 4.170 0.001 0.000 0.248 393 I C 2.686 178.839 176.117 0.060 0.000 1.117 393 I CA 1.467 62.796 61.300 0.048 0.000 1.404 393 I CB -0.132 37.941 38.000 0.122 0.000 1.071 393 I HN 0.195 nan 8.210 nan 0.000 0.419 394 K N 0.060 120.498 120.400 0.063 0.000 2.147 394 K HA -0.218 4.102 4.320 0.001 0.000 0.205 394 K C 1.933 178.553 176.600 0.033 0.000 1.049 394 K CA 1.355 57.672 56.287 0.050 0.000 0.936 394 K CB -0.044 32.485 32.500 0.048 0.000 0.722 394 K HN 0.452 nan 8.250 nan 0.000 0.446 395 E N 0.207 120.421 120.200 0.023 0.000 2.216 395 E HA 0.012 4.363 4.350 0.001 0.000 0.192 395 E C 1.957 178.561 176.600 0.007 0.000 0.973 395 E CA 0.034 56.441 56.400 0.011 0.000 0.851 395 E CB 0.192 29.893 29.700 0.003 0.000 0.804 395 E HN 0.198 nan 8.360 nan 0.000 0.477 396 M N 0.295 119.898 119.600 0.005 0.000 2.108 396 M HA -0.225 4.256 4.480 0.001 0.000 0.257 396 M C 2.197 178.516 176.300 0.032 0.000 1.071 396 M CA 1.425 56.729 55.300 0.007 0.000 1.093 396 M CB -0.019 32.590 32.600 0.014 0.000 1.345 396 M HN 0.041 nan 8.290 nan 0.000 0.403 397 V N -0.644 119.294 119.914 0.039 0.000 2.379 397 V HA -0.207 3.914 4.120 0.001 0.000 0.245 397 V C 2.095 178.208 176.094 0.031 0.000 1.044 397 V CA 1.836 64.161 62.300 0.041 0.000 1.036 397 V CB -0.564 31.283 31.823 0.039 0.000 0.664 397 V HN 0.413 nan 8.190 nan 0.000 0.453 398 E N 0.627 120.842 120.200 0.024 0.000 2.110 398 E HA -0.178 4.172 4.350 0.001 0.000 0.193 398 E C 2.178 178.787 176.600 0.015 0.000 0.988 398 E CA 2.123 58.534 56.400 0.018 0.000 0.804 398 E CB -0.146 29.564 29.700 0.015 0.000 0.745 398 E HN 0.822 nan 8.360 nan 0.000 0.458 399 T N -5.544 109.018 114.554 0.012 0.000 3.348 399 T HA 0.431 4.781 4.350 0.001 0.000 0.233 399 T C 1.545 176.252 174.700 0.013 0.000 0.960 399 T CA 0.548 62.652 62.100 0.007 0.000 1.343 399 T CB 0.389 69.254 68.868 -0.005 0.000 1.068 399 T HN 0.226 nan 8.240 nan 0.000 0.410 400 G N 1.035 109.842 108.800 0.012 0.000 2.559 400 G HA2 -0.002 3.958 3.960 0.001 0.000 0.202 400 G HA3 -0.002 3.958 3.960 0.001 0.000 0.202 400 G C -0.180 174.710 174.900 -0.016 0.000 0.992 400 G CA -0.411 44.706 45.100 0.028 0.000 0.764 400 G HN 0.683 nan 8.290 nan 0.000 0.525 401 K N 1.574 121.938 120.400 -0.060 0.000 2.126 401 K HA 0.544 4.865 4.320 0.001 0.000 0.257 401 K C 0.731 177.179 176.600 -0.254 0.000 1.007 401 K CA 0.001 56.211 56.287 -0.128 0.000 0.928 401 K CB 0.625 33.073 32.500 -0.087 0.000 1.013 401 K HN 0.155 nan 8.250 nan 0.000 0.473 402 T N 1.837 116.172 114.554 -0.366 0.000 2.855 402 T HA -0.011 4.339 4.350 0.001 0.000 0.314 402 T C -1.564 172.993 174.700 -0.238 0.000 1.077 402 T CA -1.306 60.516 62.100 -0.465 0.000 1.095 402 T CB 0.163 68.829 68.868 -0.336 0.000 0.987 402 T HN 0.428 nan 8.240 nan 0.000 0.546 403 P HA -0.145 nan 4.420 nan 0.000 0.215 403 P C 1.701 178.933 177.300 -0.114 0.000 1.153 403 P CA 1.362 64.385 63.100 -0.128 0.000 0.853 403 P CB -0.150 31.476 31.700 -0.124 0.000 0.788 404 S N -1.332 114.298 115.700 -0.116 0.000 2.489 404 S HA -0.091 4.379 4.470 0.001 0.000 0.228 404 S C 2.144 176.694 174.600 -0.083 0.000 0.995 404 S CA 0.326 58.470 58.200 -0.093 0.000 0.934 404 S CB -0.927 62.220 63.200 -0.087 0.000 0.771 404 S HN 0.120 nan 8.310 nan 0.000 0.522 405 Q N 1.172 120.914 119.800 -0.098 0.000 1.993 405 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 405 Q C 2.298 178.258 176.000 -0.066 0.000 0.984 405 Q CA 2.096 57.850 55.803 -0.082 0.000 0.837 405 Q CB -0.457 28.223 28.738 -0.097 0.000 0.902 405 Q HN 0.864 nan 8.270 nan 0.000 0.423 406 I N -2.224 118.304 120.570 -0.069 0.000 2.830 406 I HA -0.103 4.067 4.170 0.001 0.000 0.263 406 I C 2.086 178.175 176.117 -0.046 0.000 1.230 406 I CA 0.346 61.615 61.300 -0.052 0.000 1.480 406 I CB -0.353 37.617 38.000 -0.049 0.000 1.095 406 I HN -0.052 nan 8.210 nan 0.000 0.455 407 V N 1.762 121.644 119.914 -0.053 0.000 2.307 407 V HA -0.261 3.860 4.120 0.001 0.000 0.245 407 V C 2.672 178.744 176.094 -0.038 0.000 1.045 407 V CA 2.350 64.622 62.300 -0.046 0.000 1.024 407 V CB -0.419 31.370 31.823 -0.056 0.000 0.651 407 V HN 0.525 nan 8.190 nan 0.000 0.449 408 E N 0.167 120.343 120.200 -0.040 0.000 2.001 408 E HA -0.275 4.076 4.350 0.001 0.000 0.195 408 E C 2.152 178.735 176.600 -0.028 0.000 1.002 408 E CA 1.770 58.150 56.400 -0.033 0.000 0.819 408 E CB -0.229 29.450 29.700 -0.035 0.000 0.769 408 E HN 0.639 nan 8.360 nan 0.000 0.454 409 E N -0.195 119.987 120.200 -0.030 0.000 2.301 409 E HA -0.227 4.123 4.350 0.001 0.000 0.202 409 E C 1.409 177.997 176.600 -0.020 0.000 1.017 409 E CA 1.191 57.577 56.400 -0.024 0.000 0.831 409 E CB 0.053 29.737 29.700 -0.027 0.000 0.742 409 E HN 0.173 nan 8.360 nan 0.000 0.491 410 K N -1.097 119.291 120.400 -0.020 0.000 2.438 410 K HA 0.195 4.515 4.320 0.001 0.000 0.206 410 K C -0.067 176.525 176.600 -0.014 0.000 1.081 410 K CA 0.429 56.707 56.287 -0.015 0.000 1.053 410 K CB 1.862 34.354 32.500 -0.014 0.000 0.908 410 K HN 0.129 nan 8.250 nan 0.000 0.556 411 G N 2.353 111.143 108.800 -0.017 0.000 3.436 411 G HA2 -0.066 3.895 3.960 0.001 0.000 0.685 411 G HA3 -0.066 3.895 3.960 0.001 0.000 0.685 411 G C -1.098 173.792 174.900 -0.016 0.000 1.039 411 G CA -0.513 44.578 45.100 -0.015 0.000 0.879 411 G HN 0.122 nan 8.290 nan 0.000 0.478 412 L N 0.000 121.211 121.223 -0.019 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 412 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502