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 1uwl_1_B DATA FIRST_RESID 5 DATA SEQUENCE NNYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPAGWTWEQY RDRAQTEPAA VVKAAKQSMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE RETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.729 175.510 0.364 0.000 1.280 5 N CA 0.000 53.206 53.050 0.260 0.000 0.885 5 N CB 0.000 38.584 38.487 0.162 0.000 1.341 6 N N -1.088 117.817 118.700 0.342 0.000 2.250 6 N HA 0.092 4.818 4.740 -0.024 0.000 0.190 6 N C -0.994 174.852 175.510 0.559 0.000 1.116 6 N CA 0.013 53.263 53.050 0.332 0.000 0.881 6 N CB 1.267 39.867 38.487 0.188 0.000 1.006 6 N HN 0.106 nan 8.380 nan 0.000 0.491 7 Y N 1.333 121.860 120.300 0.379 0.000 2.376 7 Y HA 0.456 4.991 4.550 -0.025 0.000 0.340 7 Y C -1.013 174.855 175.900 -0.052 0.000 0.965 7 Y CA -0.907 57.344 58.100 0.252 0.000 1.078 7 Y CB 0.963 39.494 38.460 0.118 0.000 1.193 7 Y HN -0.261 nan 8.280 nan 0.000 0.452 8 R N 4.564 124.481 120.500 -0.971 0.000 2.515 8 R HA 0.194 4.520 4.340 -0.024 0.000 0.291 8 R C -1.781 173.852 176.300 -1.112 0.000 1.046 8 R CA -0.666 54.707 56.100 -1.211 0.000 0.914 8 R CB 0.999 30.105 30.300 -1.991 0.000 1.191 8 R HN 0.755 nan 8.270 nan 0.000 0.435 9 D N 4.619 124.528 120.400 -0.819 0.000 2.551 9 D HA 0.175 4.801 4.640 -0.024 0.000 0.223 9 D C -0.743 175.351 176.300 -0.343 0.000 1.144 9 D CA -0.024 53.684 54.000 -0.487 0.000 1.025 9 D CB 0.322 41.014 40.800 -0.181 0.000 1.085 9 D HN 0.285 nan 8.370 nan 0.000 0.506 10 V N -0.345 119.347 119.914 -0.369 0.000 2.971 10 V HA 0.589 4.694 4.120 -0.024 0.000 0.309 10 V C -0.431 175.561 176.094 -0.169 0.000 1.130 10 V CA -1.104 61.040 62.300 -0.259 0.000 0.964 10 V CB 2.009 33.642 31.823 -0.316 0.000 1.029 10 V HN 0.137 nan 8.190 nan 0.000 0.427 11 E N 3.424 123.566 120.200 -0.095 0.000 2.174 11 E HA 0.643 4.979 4.350 -0.024 0.000 0.282 11 E C -1.083 175.504 176.600 -0.022 0.000 0.992 11 E CA -0.459 55.916 56.400 -0.042 0.000 0.803 11 E CB 2.367 32.054 29.700 -0.022 0.000 1.090 11 E HN 0.656 nan 8.360 nan 0.000 0.396 12 I N 3.734 124.311 120.570 0.011 0.000 2.441 12 I HA 0.408 4.564 4.170 -0.024 0.000 0.295 12 I C -0.074 176.079 176.117 0.060 0.000 0.994 12 I CA -0.678 60.647 61.300 0.043 0.000 1.144 12 I CB 1.122 39.162 38.000 0.066 0.000 1.314 12 I HN 0.414 nan 8.210 nan 0.000 0.445 13 R N 4.661 125.197 120.500 0.060 0.000 2.740 13 R HA 0.806 5.132 4.340 -0.024 0.000 0.273 13 R C -1.044 175.292 176.300 0.060 0.000 0.998 13 R CA -1.102 55.036 56.100 0.064 0.000 0.900 13 R CB 1.372 31.705 30.300 0.055 0.000 1.223 13 R HN 0.554 nan 8.270 nan 0.000 0.466 14 A N 2.666 125.523 122.820 0.062 0.000 2.540 14 A HA 0.268 4.574 4.320 -0.024 0.000 0.239 14 A C -1.970 175.642 177.584 0.046 0.000 1.061 14 A CA -0.816 51.254 52.037 0.055 0.000 0.758 14 A CB -0.579 18.460 19.000 0.065 0.000 0.991 14 A HN 0.469 nan 8.150 nan 0.000 0.502 15 P HA 0.172 nan 4.420 nan 0.000 0.265 15 P C -0.094 177.240 177.300 0.056 0.000 1.187 15 P CA 0.262 63.383 63.100 0.034 0.000 0.766 15 P CB 0.418 32.127 31.700 0.014 0.000 0.820 16 R N 1.391 121.923 120.500 0.052 0.000 2.875 16 R HA 0.797 5.122 4.340 -0.024 0.000 0.251 16 R C 0.758 177.108 176.300 0.083 0.000 1.123 16 R CA -0.186 55.950 56.100 0.061 0.000 1.064 16 R CB 0.242 30.564 30.300 0.037 0.000 1.205 16 R HN 0.748 nan 8.270 nan 0.000 0.503 17 G N 1.119 109.973 108.800 0.090 0.000 2.645 17 G HA2 -0.344 3.601 3.960 -0.024 0.000 0.246 17 G HA3 -0.344 3.601 3.960 -0.024 0.000 0.246 17 G C -0.038 174.989 174.900 0.212 0.000 1.322 17 G CA 0.341 45.505 45.100 0.108 0.000 0.898 17 G HN 0.770 nan 8.290 nan 0.000 0.573 18 N N -0.341 118.481 118.700 0.202 0.000 2.205 18 N HA 0.132 4.858 4.740 -0.024 0.000 0.201 18 N C 0.385 176.005 175.510 0.184 0.000 1.128 18 N CA 0.350 53.609 53.050 0.348 0.000 0.867 18 N CB 0.443 39.107 38.487 0.295 0.000 0.996 18 N HN 0.660 nan 8.380 nan 0.000 0.503 19 K N 0.806 121.240 120.400 0.056 0.000 2.298 19 K HA 0.201 4.507 4.320 -0.024 0.000 0.280 19 K C -0.605 175.890 176.600 -0.175 0.000 1.032 19 K CA -0.536 55.721 56.287 -0.049 0.000 0.958 19 K CB 1.301 33.785 32.500 -0.028 0.000 0.978 19 K HN 0.059 nan 8.250 nan 0.000 0.472 20 L N 1.793 122.855 121.223 -0.269 0.000 2.322 20 L HA 0.227 4.553 4.340 -0.024 0.000 0.279 20 L C 1.453 178.190 176.870 -0.221 0.000 1.036 20 L CA 0.072 54.685 54.840 -0.379 0.000 0.807 20 L CB 1.502 43.267 42.059 -0.491 0.000 1.226 20 L HN 0.639 nan 8.230 nan 0.000 0.433 21 T N 0.394 114.830 114.554 -0.197 0.000 3.004 21 T HA 0.253 4.589 4.350 -0.024 0.000 0.243 21 T C 0.831 175.448 174.700 -0.138 0.000 1.020 21 T CA 0.637 62.655 62.100 -0.136 0.000 1.145 21 T CB 0.222 69.022 68.868 -0.113 0.000 0.876 21 T HN 0.651 nan 8.240 nan 0.000 0.449 22 A N 1.289 124.012 122.820 -0.162 0.000 2.267 22 A HA 0.349 4.655 4.320 -0.024 0.000 0.271 22 A C 1.189 178.685 177.584 -0.147 0.000 1.131 22 A CA -0.200 51.754 52.037 -0.138 0.000 0.818 22 A CB 0.373 19.298 19.000 -0.125 0.000 1.118 22 A HN 0.283 nan 8.150 nan 0.000 0.501 23 K N -0.449 119.889 120.400 -0.104 0.000 2.366 23 K HA 0.040 4.345 4.320 -0.024 0.000 0.198 23 K C 0.358 176.903 176.600 -0.093 0.000 1.044 23 K CA 1.186 57.422 56.287 -0.086 0.000 0.973 23 K CB -0.089 32.382 32.500 -0.048 0.000 0.767 23 K HN 0.760 nan 8.250 nan 0.000 0.475 24 S N -2.459 113.179 115.700 -0.103 0.000 2.615 24 S HA 0.170 4.625 4.470 -0.024 0.000 0.269 24 S C -0.359 174.203 174.600 -0.062 0.000 1.161 24 S CA -1.046 57.117 58.200 -0.063 0.000 0.817 24 S CB 0.020 63.242 63.200 0.037 0.000 1.131 24 S HN 0.267 nan 8.310 nan 0.000 0.467 25 W N 0.483 121.809 121.300 0.043 0.000 2.425 25 W HA 0.142 4.788 4.660 -0.024 0.000 0.277 25 W C 1.918 178.489 176.519 0.086 0.000 1.231 25 W CA 0.464 57.844 57.345 0.057 0.000 1.248 25 W CB -0.152 29.343 29.460 0.058 0.000 1.117 25 W HN 0.553 nan 8.180 nan 0.000 0.568 26 L N -0.277 121.124 121.223 0.296 0.000 2.217 26 L HA -0.131 4.195 4.340 -0.024 0.000 0.211 26 L C 2.406 179.400 176.870 0.207 0.000 1.107 26 L CA 1.685 56.679 54.840 0.257 0.000 0.783 26 L CB -1.129 41.049 42.059 0.198 0.000 0.919 26 L HN 0.080 nan 8.230 nan 0.000 0.442 27 T N -4.668 109.956 114.554 0.117 0.000 3.040 27 T HA -0.049 4.287 4.350 -0.024 0.000 0.252 27 T C 1.600 176.296 174.700 -0.006 0.000 1.064 27 T CA 0.349 62.473 62.100 0.040 0.000 1.110 27 T CB 0.182 69.051 68.868 0.000 0.000 0.921 27 T HN 0.067 nan 8.240 nan 0.000 0.480 28 E N 2.315 122.517 120.200 0.003 0.000 2.110 28 E HA 0.051 4.387 4.350 -0.024 0.000 0.193 28 E C 2.249 178.898 176.600 0.082 0.000 0.988 28 E CA 1.331 57.711 56.400 -0.033 0.000 0.804 28 E CB -0.748 28.838 29.700 -0.189 0.000 0.745 28 E HN 0.584 nan 8.360 nan 0.000 0.458 29 A N 1.338 124.291 122.820 0.221 0.000 1.858 29 A HA -0.091 4.215 4.320 -0.024 0.000 0.216 29 A C -0.174 177.472 177.584 0.102 0.000 1.190 29 A CA 1.757 53.977 52.037 0.305 0.000 0.617 29 A CB -1.750 17.544 19.000 0.489 0.000 0.827 29 A HN 0.400 nan 8.150 nan 0.000 0.443 30 P HA -0.128 nan 4.420 nan 0.000 0.219 30 P C 1.816 178.846 177.300 -0.451 0.000 1.150 30 P CA 0.945 63.609 63.100 -0.726 0.000 0.814 30 P CB -0.178 30.967 31.700 -0.924 0.000 0.787 31 L N -0.189 120.851 121.223 -0.306 0.000 2.012 31 L HA -0.164 4.162 4.340 -0.024 0.000 0.210 31 L C 2.830 179.585 176.870 -0.191 0.000 1.073 31 L CA 1.806 56.475 54.840 -0.286 0.000 0.748 31 L CB -0.326 41.616 42.059 -0.194 0.000 0.891 31 L HN -0.190 nan 8.230 nan 0.000 0.431 32 R N -1.190 119.271 120.500 -0.065 0.000 2.092 32 R HA -0.096 4.230 4.340 -0.024 0.000 0.231 32 R C 2.120 178.442 176.300 0.037 0.000 1.119 32 R CA 1.327 57.437 56.100 0.018 0.000 0.970 32 R CB -0.232 30.132 30.300 0.106 0.000 0.864 32 R HN 0.367 nan 8.270 nan 0.000 0.440 33 M N 0.267 119.905 119.600 0.063 0.000 2.288 33 M HA -0.045 4.421 4.480 -0.024 0.000 0.266 33 M C 2.167 178.516 176.300 0.083 0.000 1.072 33 M CA 0.872 56.279 55.300 0.179 0.000 1.132 33 M CB -0.815 32.041 32.600 0.428 0.000 1.386 33 M HN 0.124 nan 8.290 nan 0.000 0.432 34 L N 0.850 121.928 121.223 -0.241 0.000 2.046 34 L HA -0.125 4.201 4.340 -0.024 0.000 0.208 34 L C 2.183 178.973 176.870 -0.133 0.000 1.077 34 L CA 1.873 56.387 54.840 -0.542 0.000 0.747 34 L CB -0.582 40.757 42.059 -1.201 0.000 0.896 34 L HN 0.214 nan 8.230 nan 0.000 0.432 35 M N -0.655 118.910 119.600 -0.058 0.000 2.175 35 M HA -0.173 4.292 4.480 -0.024 0.000 0.264 35 M C 2.057 178.413 176.300 0.093 0.000 1.063 35 M CA 1.826 57.167 55.300 0.068 0.000 1.119 35 M CB -0.579 32.057 32.600 0.060 0.000 1.377 35 M HN 0.406 nan 8.290 nan 0.000 0.415 36 N N 0.856 119.614 118.700 0.098 0.000 2.166 36 N HA -0.153 4.573 4.740 -0.024 0.000 0.186 36 N C 1.222 176.843 175.510 0.185 0.000 1.019 36 N CA 1.352 54.482 53.050 0.133 0.000 0.856 36 N CB -0.161 38.409 38.487 0.138 0.000 0.993 36 N HN 0.171 nan 8.380 nan 0.000 0.426 37 N N -0.249 118.577 118.700 0.211 0.000 2.272 37 N HA -0.057 4.668 4.740 -0.024 0.000 0.185 37 N C 0.722 176.359 175.510 0.212 0.000 1.014 37 N CA 0.751 53.962 53.050 0.268 0.000 0.870 37 N CB -0.031 38.632 38.487 0.294 0.000 0.975 37 N HN 0.369 nan 8.380 nan 0.000 0.433 38 L N -0.602 120.714 121.223 0.156 0.000 2.728 38 L HA 0.164 4.490 4.340 -0.024 0.000 0.238 38 L C 0.264 177.214 176.870 0.134 0.000 1.143 38 L CA -0.278 54.638 54.840 0.128 0.000 0.937 38 L CB 0.110 42.215 42.059 0.076 0.000 1.225 38 L HN 0.016 nan 8.230 nan 0.000 0.507 39 D N 1.837 122.326 120.400 0.149 0.000 2.493 39 D HA -0.023 4.603 4.640 -0.024 0.000 0.240 39 D C -1.505 174.886 176.300 0.151 0.000 1.142 39 D CA -1.175 52.906 54.000 0.135 0.000 0.872 39 D CB 1.701 42.585 40.800 0.140 0.000 1.173 39 D HN -0.075 nan 8.370 nan 0.000 0.467 40 P HA -0.169 nan 4.420 nan 0.000 0.218 40 P C 1.079 178.446 177.300 0.113 0.000 1.146 40 P CA 1.171 64.318 63.100 0.078 0.000 0.813 40 P CB 0.161 31.873 31.700 0.021 0.000 0.778 41 Q N -0.920 118.977 119.800 0.162 0.000 2.389 41 Q HA -0.015 4.311 4.340 -0.024 0.000 0.204 41 Q C 1.422 177.656 176.000 0.389 0.000 0.944 41 Q CA 0.682 56.635 55.803 0.249 0.000 0.908 41 Q CB 0.121 28.968 28.738 0.181 0.000 1.002 41 Q HN 0.081 nan 8.270 nan 0.000 0.493 42 V N -0.184 119.934 119.914 0.340 0.000 2.743 42 V HA 0.256 4.362 4.120 -0.024 0.000 0.237 42 V C 0.780 177.132 176.094 0.430 0.000 1.113 42 V CA 0.707 63.206 62.300 0.332 0.000 1.141 42 V CB 0.251 32.243 31.823 0.282 0.000 0.873 42 V HN 0.294 nan 8.190 nan 0.000 0.486 43 A N 0.214 123.265 122.820 0.385 0.000 2.340 43 A HA 0.356 4.661 4.320 -0.024 0.000 0.268 43 A C 1.116 178.928 177.584 0.380 0.000 1.100 43 A CA -0.249 51.979 52.037 0.318 0.000 0.803 43 A CB 0.418 19.548 19.000 0.216 0.000 1.043 43 A HN 0.326 nan 8.150 nan 0.000 0.488 44 E N 0.551 120.926 120.200 0.292 0.000 2.106 44 E HA -0.110 4.226 4.350 -0.024 0.000 0.192 44 E C 0.068 176.823 176.600 0.259 0.000 0.984 44 E CA 1.339 57.931 56.400 0.319 0.000 0.806 44 E CB 0.081 29.910 29.700 0.215 0.000 0.750 44 E HN 0.651 nan 8.360 nan 0.000 0.458 45 N N -0.780 118.040 118.700 0.199 0.000 2.679 45 N HA 0.065 4.791 4.740 -0.024 0.000 0.240 45 N C -2.403 173.207 175.510 0.166 0.000 1.537 45 N CA -0.917 52.239 53.050 0.178 0.000 0.793 45 N CB 0.772 39.368 38.487 0.182 0.000 1.391 45 N HN -0.186 nan 8.380 nan 0.000 0.524 46 P HA -0.073 nan 4.420 nan 0.000 0.226 46 P C 0.677 178.105 177.300 0.213 0.000 1.153 46 P CA 0.756 63.946 63.100 0.150 0.000 0.777 46 P CB 0.475 32.257 31.700 0.137 0.000 0.794 47 K N 0.215 120.722 120.400 0.179 0.000 2.283 47 K HA -0.066 4.240 4.320 -0.024 0.000 0.202 47 K C 1.369 178.160 176.600 0.317 0.000 1.048 47 K CA 0.924 57.283 56.287 0.119 0.000 0.948 47 K CB -0.035 32.427 32.500 -0.063 0.000 0.742 47 K HN 0.288 nan 8.250 nan 0.000 0.458 48 E N 0.391 120.784 120.200 0.322 0.000 2.499 48 E HA 0.137 4.473 4.350 -0.024 0.000 0.199 48 E C -0.194 176.478 176.600 0.121 0.000 1.016 48 E CA -0.069 56.515 56.400 0.307 0.000 0.933 48 E CB 0.201 30.064 29.700 0.272 0.000 1.050 48 E HN 0.125 nan 8.360 nan 0.000 0.462 49 L N -0.650 120.592 121.223 0.032 0.000 4.884 49 L HA -0.228 4.097 4.340 -0.024 0.000 0.430 49 L C -0.135 176.715 176.870 -0.034 0.000 1.087 49 L CA 0.110 54.847 54.840 -0.172 0.000 1.033 49 L CB -1.572 40.229 42.059 -0.431 0.000 2.030 49 L HN 0.026 nan 8.230 nan 0.000 0.762 50 V N 0.462 120.403 119.914 0.045 0.000 2.432 50 V HA 0.139 4.245 4.120 -0.024 0.000 0.271 50 V C 1.264 177.390 176.094 0.054 0.000 1.046 50 V CA 0.257 62.589 62.300 0.055 0.000 0.945 50 V CB 1.597 33.479 31.823 0.098 0.000 0.992 50 V HN 0.112 nan 8.190 nan 0.000 0.471 51 V N 5.017 124.926 119.914 -0.008 0.000 2.436 51 V HA 0.175 4.281 4.120 -0.024 0.000 0.240 51 V C 0.247 176.310 176.094 -0.051 0.000 1.040 51 V CA 1.152 63.424 62.300 -0.046 0.000 1.052 51 V CB -0.237 31.528 31.823 -0.097 0.000 0.707 51 V HN 0.944 nan 8.190 nan 0.000 0.469 52 Y N -2.751 117.415 120.300 -0.224 0.000 2.818 52 Y HA 0.627 5.163 4.550 -0.023 0.000 0.341 52 Y C 0.165 176.059 175.900 -0.010 0.000 1.283 52 Y CA -0.868 57.145 58.100 -0.146 0.000 1.075 52 Y CB 0.747 39.027 38.460 -0.300 0.000 1.370 52 Y HN 0.363 nan 8.280 nan 0.000 0.448 53 G N 0.971 109.833 108.800 0.103 0.000 2.324 53 G HA2 0.320 4.265 3.960 -0.024 0.000 0.292 53 G HA3 0.320 4.265 3.960 -0.024 0.000 0.292 53 G C 1.056 176.112 174.900 0.261 0.000 1.079 53 G CA 1.230 46.369 45.100 0.065 0.000 1.026 53 G HN 2.825 nan 8.290 nan 0.000 0.506 54 G N -0.386 108.596 108.800 0.304 0.000 2.559 54 G HA2 -0.126 3.819 3.960 -0.024 0.000 0.282 54 G HA3 -0.126 3.819 3.960 -0.024 0.000 0.282 54 G C 0.723 175.730 174.900 0.178 0.000 1.177 54 G CA 0.589 45.839 45.100 0.249 0.000 0.960 54 G HN 1.667 nan 8.290 nan 0.000 0.540 55 I N 3.579 124.271 120.570 0.204 0.000 3.731 55 I HA 0.547 4.703 4.170 -0.024 0.000 0.341 55 I C 1.358 177.621 176.117 0.243 0.000 1.532 55 I CA 0.630 62.043 61.300 0.187 0.000 1.163 55 I CB -0.323 37.756 38.000 0.131 0.000 1.339 55 I HN 0.845 nan 8.210 nan 0.000 0.449 56 G N 2.503 111.343 108.800 0.066 0.000 2.367 56 G HA2 0.230 4.176 3.960 -0.024 0.000 0.280 56 G HA3 0.230 4.176 3.960 -0.024 0.000 0.280 56 G C 0.071 174.889 174.900 -0.137 0.000 1.175 56 G CA -0.320 44.641 45.100 -0.232 0.000 1.001 56 G HN 0.320 nan 8.290 nan 0.000 0.437 57 R N 1.532 122.008 120.500 -0.039 0.000 2.758 57 R HA 0.549 4.875 4.340 -0.024 0.000 0.265 57 R C 0.907 177.237 176.300 0.051 0.000 1.016 57 R CA -0.418 55.689 56.100 0.011 0.000 1.040 57 R CB 1.848 32.175 30.300 0.045 0.000 1.152 57 R HN 0.476 nan 8.270 nan 0.000 0.503 58 A N 0.508 123.377 122.820 0.082 0.000 2.044 58 A HA 0.393 4.699 4.320 -0.024 0.000 0.213 58 A C 0.361 178.134 177.584 0.316 0.000 1.169 58 A CA 1.001 53.186 52.037 0.246 0.000 0.724 58 A CB 0.345 19.467 19.000 0.203 0.000 0.840 58 A HN 0.641 nan 8.150 nan 0.000 0.463 59 A N -1.659 121.233 122.820 0.121 0.000 2.609 59 A HA 0.623 4.929 4.320 -0.024 0.000 0.291 59 A C 0.572 178.159 177.584 0.005 0.000 1.096 59 A CA -0.032 52.074 52.037 0.115 0.000 0.684 59 A CB 0.452 19.526 19.000 0.123 0.000 1.282 59 A HN 0.156 nan 8.150 nan 0.000 0.412 60 R N -0.022 120.494 120.500 0.027 0.000 2.092 60 R HA -0.092 4.234 4.340 -0.024 0.000 0.231 60 R C 0.226 176.507 176.300 -0.032 0.000 1.119 60 R CA 2.240 58.350 56.100 0.017 0.000 0.970 60 R CB -0.150 30.170 30.300 0.032 0.000 0.864 60 R HN 0.911 nan 8.270 nan 0.000 0.440 61 N N -4.016 114.641 118.700 -0.073 0.000 3.179 61 N HA 0.006 4.732 4.740 -0.024 0.000 0.250 61 N C -0.633 174.802 175.510 -0.125 0.000 1.507 61 N CA -0.799 52.187 53.050 -0.107 0.000 0.883 61 N CB -0.539 37.962 38.487 0.023 0.000 1.435 61 N HN -0.080 nan 8.380 nan 0.000 0.532 62 W N -0.267 121.081 121.300 0.080 0.000 2.402 62 W HA 0.095 4.740 4.660 -0.026 0.000 0.286 62 W C 2.050 178.645 176.519 0.126 0.000 1.221 62 W CA 1.042 58.442 57.345 0.091 0.000 1.257 62 W CB 0.086 29.561 29.460 0.024 0.000 1.120 62 W HN 0.775 nan 8.180 nan 0.000 0.551 63 E N -0.312 120.049 120.200 0.268 0.000 2.077 63 E HA -0.226 4.110 4.350 -0.024 0.000 0.193 63 E C 1.867 178.549 176.600 0.137 0.000 0.989 63 E CA 1.803 58.309 56.400 0.178 0.000 0.800 63 E CB -0.336 29.436 29.700 0.120 0.000 0.746 63 E HN 0.194 nan 8.360 nan 0.000 0.452 64 C N 0.135 119.502 119.300 0.113 0.000 2.446 64 C HA -0.103 4.342 4.460 -0.024 0.000 0.277 64 C C 2.426 177.465 174.990 0.081 0.000 1.275 64 C CA 0.722 59.788 59.018 0.079 0.000 1.727 64 C CB -1.239 26.540 27.740 0.064 0.000 2.010 64 C HN 0.597 nan 8.230 nan 0.000 0.486 65 Y N 2.496 122.789 120.300 -0.011 0.000 2.053 65 Y HA -0.279 4.257 4.550 -0.023 0.000 0.277 65 Y C 2.162 178.079 175.900 0.028 0.000 1.159 65 Y CA 2.305 60.391 58.100 -0.024 0.000 1.125 65 Y CB -0.484 37.937 38.460 -0.065 0.000 0.969 65 Y HN 0.306 nan 8.280 nan 0.000 0.492 66 D N 0.067 120.554 120.400 0.146 0.000 2.123 66 D HA -0.190 4.436 4.640 -0.024 0.000 0.196 66 D C 2.057 178.309 176.300 -0.081 0.000 0.992 66 D CA 1.702 55.721 54.000 0.032 0.000 0.833 66 D CB -0.318 40.568 40.800 0.144 0.000 0.954 66 D HN 0.211 nan 8.370 nan 0.000 0.455 67 K N 0.766 121.145 120.400 -0.036 0.000 2.097 67 K HA -0.079 4.227 4.320 -0.024 0.000 0.205 67 K C 1.976 178.526 176.600 -0.084 0.000 1.050 67 K CA 0.579 56.840 56.287 -0.043 0.000 0.938 67 K CB -0.372 32.125 32.500 -0.005 0.000 0.718 67 K HN 0.251 nan 8.250 nan 0.000 0.442 68 I N -1.879 118.618 120.570 -0.121 0.000 2.315 68 I HA -0.127 4.029 4.170 -0.024 0.000 0.248 68 I C 1.787 177.760 176.117 -0.241 0.000 1.117 68 I CA 1.108 62.323 61.300 -0.142 0.000 1.404 68 I CB -0.993 36.935 38.000 -0.119 0.000 1.071 68 I HN -0.168 nan 8.210 nan 0.000 0.419 69 V N 1.239 120.939 119.914 -0.358 0.000 2.307 69 V HA -0.265 3.840 4.120 -0.024 0.000 0.245 69 V C 2.749 178.723 176.094 -0.200 0.000 1.045 69 V CA 2.264 64.358 62.300 -0.344 0.000 1.024 69 V CB -0.973 30.599 31.823 -0.418 0.000 0.651 69 V HN 0.628 nan 8.190 nan 0.000 0.449 70 E N 0.117 120.225 120.200 -0.153 0.000 2.085 70 E HA -0.246 4.090 4.350 -0.024 0.000 0.194 70 E C 2.143 178.691 176.600 -0.086 0.000 0.994 70 E CA 2.041 58.382 56.400 -0.098 0.000 0.801 70 E CB -0.112 29.546 29.700 -0.069 0.000 0.743 70 E HN 0.647 nan 8.360 nan 0.000 0.453 71 T N 1.427 115.930 114.554 -0.086 0.000 2.812 71 T HA -0.076 4.260 4.350 -0.024 0.000 0.264 71 T C 1.723 176.383 174.700 -0.067 0.000 1.042 71 T CA 0.562 62.624 62.100 -0.065 0.000 1.140 71 T CB -0.044 68.796 68.868 -0.047 0.000 0.870 71 T HN 0.092 nan 8.240 nan 0.000 0.445 72 L N 1.546 122.714 121.223 -0.092 0.000 2.083 72 L HA -0.062 4.264 4.340 -0.024 0.000 0.209 72 L C 2.716 179.533 176.870 -0.089 0.000 1.083 72 L CA 1.743 56.527 54.840 -0.092 0.000 0.752 72 L CB -2.013 39.957 42.059 -0.148 0.000 0.899 72 L HN 0.303 nan 8.230 nan 0.000 0.433 73 T N 0.015 114.508 114.554 -0.101 0.000 2.788 73 T HA -0.193 4.142 4.350 -0.024 0.000 0.268 73 T C 1.767 176.424 174.700 -0.072 0.000 1.044 73 T CA 1.583 63.627 62.100 -0.092 0.000 1.139 73 T CB -0.130 68.683 68.868 -0.093 0.000 0.867 73 T HN 0.485 nan 8.240 nan 0.000 0.454 74 R N 0.192 120.655 120.500 -0.061 0.000 2.312 74 R HA 0.292 4.618 4.340 -0.024 0.000 0.205 74 R C 0.474 176.751 176.300 -0.038 0.000 0.904 74 R CA -0.335 55.736 56.100 -0.048 0.000 1.052 74 R CB -0.382 29.891 30.300 -0.045 0.000 1.014 74 R HN 0.175 nan 8.270 nan 0.000 0.503 75 L N 3.005 124.206 121.223 -0.036 0.000 2.499 75 L HA 0.040 4.366 4.340 -0.024 0.000 0.273 75 L C 0.024 176.888 176.870 -0.010 0.000 1.195 75 L CA 0.605 55.433 54.840 -0.020 0.000 0.882 75 L CB 0.538 42.590 42.059 -0.011 0.000 1.133 75 L HN 0.171 nan 8.230 nan 0.000 0.483 76 E N 2.668 122.866 120.200 -0.002 0.000 2.322 76 E HA 0.040 4.376 4.350 -0.024 0.000 0.257 76 E C 0.497 177.109 176.600 0.021 0.000 1.155 76 E CA -0.090 56.313 56.400 0.006 0.000 0.936 76 E CB 0.552 30.256 29.700 0.007 0.000 1.130 76 E HN 0.694 nan 8.360 nan 0.000 0.465 77 D N 0.130 120.546 120.400 0.028 0.000 2.312 77 D HA -0.165 4.461 4.640 -0.024 0.000 0.211 77 D C 0.574 176.901 176.300 0.045 0.000 0.964 77 D CA 0.775 54.800 54.000 0.041 0.000 0.877 77 D CB -0.014 40.814 40.800 0.046 0.000 0.924 77 D HN 0.368 nan 8.370 nan 0.000 0.515 78 D N -0.336 120.090 120.400 0.044 0.000 2.462 78 D HA 0.091 4.716 4.640 -0.024 0.000 0.221 78 D C -0.209 176.120 176.300 0.048 0.000 1.173 78 D CA -0.376 53.656 54.000 0.052 0.000 0.831 78 D CB -0.265 40.578 40.800 0.071 0.000 1.001 78 D HN 0.205 nan 8.370 nan 0.000 0.499 79 E N -0.422 119.802 120.200 0.039 0.000 2.221 79 E HA 0.554 4.890 4.350 -0.024 0.000 0.268 79 E C -0.801 175.830 176.600 0.052 0.000 0.933 79 E CA -0.770 55.657 56.400 0.045 0.000 0.809 79 E CB 1.903 31.617 29.700 0.023 0.000 1.190 79 E HN -0.117 nan 8.360 nan 0.000 0.406 80 T N 1.954 116.556 114.554 0.080 0.000 2.879 80 T HA 0.283 4.618 4.350 -0.024 0.000 0.290 80 T C -1.071 173.699 174.700 0.116 0.000 0.993 80 T CA -0.656 61.501 62.100 0.094 0.000 0.975 80 T CB 0.768 69.695 68.868 0.099 0.000 0.981 80 T HN 0.206 nan 8.240 nan 0.000 0.439 81 L N 4.927 126.206 121.223 0.094 0.000 2.305 81 L HA 0.559 4.885 4.340 -0.024 0.000 0.281 81 L C -0.931 176.010 176.870 0.118 0.000 1.085 81 L CA -0.266 54.629 54.840 0.091 0.000 0.813 81 L CB 0.252 42.353 42.059 0.071 0.000 1.157 81 L HN 0.570 nan 8.230 nan 0.000 0.436 82 L N 6.302 127.609 121.223 0.140 0.000 2.264 82 L HA 0.468 4.793 4.340 -0.024 0.000 0.289 82 L C -0.600 176.327 176.870 0.096 0.000 1.044 82 L CA -0.792 54.124 54.840 0.127 0.000 0.807 82 L CB 1.413 43.577 42.059 0.174 0.000 1.192 82 L HN 0.354 nan 8.230 nan 0.000 0.425 83 V N 3.692 123.647 119.914 0.069 0.000 2.398 83 V HA 0.301 4.406 4.120 -0.024 0.000 0.286 83 V C -0.024 176.096 176.094 0.043 0.000 1.026 83 V CA -0.512 61.824 62.300 0.060 0.000 0.868 83 V CB 1.651 33.495 31.823 0.035 0.000 0.982 83 V HN 0.705 nan 8.190 nan 0.000 0.443 84 Q N 3.161 122.990 119.800 0.048 0.000 2.363 84 Q HA 0.289 4.615 4.340 -0.024 0.000 0.265 84 Q C -0.085 175.935 176.000 0.034 0.000 1.032 84 Q CA -0.285 55.541 55.803 0.038 0.000 0.746 84 Q CB 1.636 30.398 28.738 0.041 0.000 1.237 84 Q HN 0.865 nan 8.270 nan 0.000 0.475 85 S N 3.182 118.897 115.700 0.024 0.000 3.378 85 S HA -0.227 4.229 4.470 -0.024 0.000 0.365 85 S C 0.848 175.476 174.600 0.046 0.000 0.951 85 S CA 1.230 59.449 58.200 0.031 0.000 1.274 85 S CB -1.625 61.604 63.200 0.048 0.000 0.915 85 S HN 1.199 nan 8.310 nan 0.000 0.513 86 G N 0.230 109.061 108.800 0.051 0.000 2.153 86 G HA2 -0.329 3.617 3.960 -0.024 0.000 0.252 86 G HA3 -0.329 3.617 3.960 -0.024 0.000 0.252 86 G C -0.218 174.743 174.900 0.100 0.000 0.994 86 G CA 0.857 46.017 45.100 0.099 0.000 0.698 86 G HN 0.833 nan 8.290 nan 0.000 0.521 87 K N 0.767 121.214 120.400 0.079 0.000 2.345 87 K HA 0.569 4.875 4.320 -0.024 0.000 0.255 87 K C -2.704 173.939 176.600 0.072 0.000 0.934 87 K CA -2.466 53.861 56.287 0.067 0.000 0.801 87 K CB 2.547 35.075 32.500 0.046 0.000 1.137 87 K HN -0.038 nan 8.250 nan 0.000 0.424 88 P HA 0.036 nan 4.420 nan 0.000 0.280 88 P C 0.484 177.809 177.300 0.043 0.000 1.386 88 P CA -0.359 62.777 63.100 0.060 0.000 0.899 88 P CB 0.827 32.551 31.700 0.040 0.000 1.098 89 V N 1.554 121.502 119.914 0.057 0.000 3.307 89 V HA 0.537 4.643 4.120 -0.024 0.000 0.253 89 V C 0.760 176.887 176.094 0.054 0.000 1.149 89 V CA 0.750 63.083 62.300 0.056 0.000 1.112 89 V CB -0.330 31.535 31.823 0.071 0.000 0.777 89 V HN 0.515 nan 8.190 nan 0.000 0.464 90 G N -0.791 108.045 108.800 0.060 0.000 2.703 90 G HA2 0.577 4.523 3.960 -0.024 0.000 0.294 90 G HA3 0.577 4.523 3.960 -0.024 0.000 0.294 90 G C -1.933 172.907 174.900 -0.101 0.000 1.451 90 G CA -0.321 44.755 45.100 -0.040 0.000 0.869 90 G HN 0.227 nan 8.290 nan 0.000 0.516 91 V N 0.743 120.415 119.914 -0.404 0.000 2.588 91 V HA 0.763 4.868 4.120 -0.024 0.000 0.304 91 V C -1.087 174.668 176.094 -0.566 0.000 1.042 91 V CA -0.566 61.570 62.300 -0.273 0.000 0.877 91 V CB 1.261 32.988 31.823 -0.161 0.000 0.996 91 V HN 0.625 nan 8.190 nan 0.000 0.425 92 F N 2.084 122.043 119.950 0.015 0.000 2.599 92 F HA 0.622 5.135 4.527 -0.024 0.000 0.311 92 F C 0.016 175.827 175.800 0.019 0.000 1.076 92 F CA -1.232 56.778 58.000 0.017 0.000 0.937 92 F CB 1.977 40.987 39.000 0.017 0.000 1.282 92 F HN 0.225 nan 8.300 nan 0.000 0.460 93 K N 1.008 121.539 120.400 0.220 0.000 2.339 93 K HA 0.424 4.730 4.320 -0.024 0.000 0.286 93 K C 0.289 176.973 176.600 0.140 0.000 1.050 93 K CA -0.055 56.315 56.287 0.139 0.000 0.956 93 K CB 1.161 33.728 32.500 0.111 0.000 0.990 93 K HN 0.716 nan 8.250 nan 0.000 0.475 94 T N 1.730 116.350 114.554 0.111 0.000 1.812 94 T HA 0.364 4.699 4.350 -0.024 0.000 0.173 94 T C -1.222 173.584 174.700 0.176 0.000 0.710 94 T CA -0.134 62.034 62.100 0.114 0.000 1.065 94 T CB 0.034 68.908 68.868 0.011 0.000 3.214 94 T HN 0.878 nan 8.240 nan 0.000 0.403 95 H N -1.130 117.974 119.070 0.056 0.000 2.967 95 H HA 0.550 5.092 4.556 -0.024 0.000 0.318 95 H C 0.887 176.248 175.328 0.055 0.000 1.375 95 H CA 0.016 56.093 56.048 0.049 0.000 1.132 95 H CB 0.559 30.346 29.762 0.040 0.000 1.848 95 H HN 0.309 nan 8.280 nan 0.000 0.524 96 S N -0.075 115.702 115.700 0.129 0.000 2.442 96 S HA -0.161 4.295 4.470 -0.024 0.000 0.236 96 S C 0.689 175.325 174.600 0.059 0.000 1.007 96 S CA 1.204 59.451 58.200 0.077 0.000 0.965 96 S CB -0.396 62.865 63.200 0.103 0.000 0.773 96 S HN 0.671 nan 8.310 nan 0.000 0.504 97 N N 1.900 120.686 118.700 0.143 0.000 2.322 97 N HA 0.388 5.114 4.740 -0.024 0.000 0.194 97 N C 0.214 175.692 175.510 -0.053 0.000 1.126 97 N CA 0.502 53.630 53.050 0.130 0.000 0.845 97 N CB 0.502 39.151 38.487 0.271 0.000 0.976 97 N HN 0.600 nan 8.380 nan 0.000 0.475 98 A N 1.380 123.942 122.820 -0.429 0.000 2.281 98 A HA 0.651 4.957 4.320 -0.024 0.000 0.329 98 A C -2.439 175.080 177.584 -0.109 0.000 1.122 98 A CA -1.499 50.336 52.037 -0.336 0.000 0.850 98 A CB 0.446 19.108 19.000 -0.563 0.000 1.207 98 A HN -0.120 nan 8.150 nan 0.000 0.495 99 P HA 0.154 nan 4.420 nan 0.000 0.268 99 P C 0.363 177.708 177.300 0.074 0.000 1.205 99 P CA -0.255 62.885 63.100 0.067 0.000 0.771 99 P CB 0.486 32.241 31.700 0.092 0.000 0.858 100 R N 1.189 121.768 120.500 0.132 0.000 2.148 100 R HA 0.070 4.396 4.340 -0.024 0.000 0.223 100 R C 0.184 176.559 176.300 0.125 0.000 1.088 100 R CA 0.868 57.039 56.100 0.119 0.000 0.985 100 R CB -0.358 30.023 30.300 0.135 0.000 0.880 100 R HN 0.335 nan 8.270 nan 0.000 0.451 101 V N 1.743 121.762 119.914 0.175 0.000 2.760 101 V HA 0.330 4.435 4.120 -0.024 0.000 0.309 101 V C -0.932 175.254 176.094 0.153 0.000 1.077 101 V CA -0.994 61.393 62.300 0.146 0.000 0.910 101 V CB 2.532 34.421 31.823 0.110 0.000 1.008 101 V HN -0.136 nan 8.190 nan 0.000 0.424 102 L N 5.306 126.590 121.223 0.101 0.000 2.356 102 L HA 0.660 4.985 4.340 -0.024 0.000 0.277 102 L C -0.485 176.416 176.870 0.052 0.000 0.996 102 L CA -0.431 54.457 54.840 0.081 0.000 0.822 102 L CB 1.462 43.562 42.059 0.067 0.000 1.256 102 L HN 0.541 nan 8.230 nan 0.000 0.413 103 I N 2.692 123.288 120.570 0.043 0.000 2.465 103 I HA 0.734 4.890 4.170 -0.024 0.000 0.291 103 I C -0.263 175.902 176.117 0.080 0.000 1.014 103 I CA -0.618 60.694 61.300 0.019 0.000 1.093 103 I CB 2.171 40.141 38.000 -0.049 0.000 1.267 103 I HN 0.678 nan 8.210 nan 0.000 0.431 104 A N 5.680 128.538 122.820 0.065 0.000 2.385 104 A HA 0.734 5.039 4.320 -0.024 0.000 0.290 104 A C -1.211 176.393 177.584 0.033 0.000 1.094 104 A CA -0.655 51.432 52.037 0.084 0.000 0.729 104 A CB 0.846 19.878 19.000 0.054 0.000 1.194 104 A HN 0.645 nan 8.150 nan 0.000 0.442 105 N N 0.701 119.390 118.700 -0.018 0.000 2.258 105 N HA 0.536 5.262 4.740 -0.024 0.000 0.299 105 N C 0.126 175.618 175.510 -0.030 0.000 1.047 105 N CA 0.223 53.189 53.050 -0.141 0.000 0.814 105 N CB 1.748 39.911 38.487 -0.540 0.000 1.413 105 N HN 0.679 nan 8.380 nan 0.000 0.478 106 S N -0.230 115.536 115.700 0.109 0.000 3.228 106 S HA -0.178 4.278 4.470 -0.024 0.000 0.282 106 S C -0.022 174.770 174.600 0.321 0.000 1.286 106 S CA 0.280 58.645 58.200 0.276 0.000 1.066 106 S CB -1.493 61.886 63.200 0.298 0.000 1.277 106 S HN 0.674 nan 8.310 nan 0.000 0.661 107 N N 1.509 120.312 118.700 0.173 0.000 2.475 107 N HA 0.439 5.165 4.740 -0.024 0.000 0.267 107 N C -0.311 175.199 175.510 -0.001 0.000 1.169 107 N CA 0.487 53.574 53.050 0.062 0.000 0.947 107 N CB 0.510 39.012 38.487 0.026 0.000 1.061 107 N HN 0.440 nan 8.380 nan 0.000 0.466 108 L N 1.620 122.746 121.223 -0.162 0.000 2.408 108 L HA 0.384 4.710 4.340 -0.024 0.000 0.268 108 L C 0.043 176.850 176.870 -0.105 0.000 0.986 108 L CA -1.215 53.585 54.840 -0.067 0.000 0.820 108 L CB 2.146 44.238 42.059 0.054 0.000 1.303 108 L HN 0.085 nan 8.230 nan 0.000 0.411 109 V N 4.036 123.953 119.914 0.004 0.000 2.557 109 V HA -0.051 4.055 4.120 -0.024 0.000 0.301 109 V C -1.261 174.927 176.094 0.157 0.000 1.026 109 V CA -0.402 61.945 62.300 0.078 0.000 1.137 109 V CB 0.736 32.627 31.823 0.114 0.000 0.917 109 V HN 0.705 nan 8.190 nan 0.000 0.484 110 P HA -0.222 nan 4.420 nan 0.000 0.216 110 P C 1.637 178.927 177.300 -0.017 0.000 1.154 110 P CA 1.578 64.670 63.100 -0.014 0.000 0.865 110 P CB 0.065 31.749 31.700 -0.027 0.000 0.789 111 H N -2.316 116.687 119.070 -0.113 0.000 2.489 111 H HA -0.111 4.431 4.556 -0.024 0.000 0.295 111 H C 1.053 176.029 175.328 -0.585 0.000 1.082 111 H CA 1.410 57.188 56.048 -0.450 0.000 1.295 111 H CB -0.338 28.937 29.762 -0.812 0.000 1.380 111 H HN 0.263 nan 8.280 nan 0.000 0.548 112 W N -0.249 120.966 121.300 -0.141 0.000 3.132 112 W HA 0.467 5.112 4.660 -0.024 0.000 0.364 112 W C 0.315 176.760 176.519 -0.124 0.000 1.129 112 W CA 0.163 57.360 57.345 -0.247 0.000 1.815 112 W CB 0.078 29.276 29.460 -0.437 0.000 1.099 112 W HN 0.164 nan 8.180 nan 0.000 0.605 113 A N 2.708 125.547 122.820 0.030 0.000 3.004 113 A HA 0.307 4.613 4.320 -0.024 0.000 0.286 113 A C -0.121 177.469 177.584 0.010 0.000 1.632 113 A CA 0.156 52.212 52.037 0.032 0.000 1.339 113 A CB -1.358 17.576 19.000 -0.110 0.000 1.136 113 A HN 0.383 nan 8.150 nan 0.000 0.577 114 N N -1.944 116.786 118.700 0.050 0.000 2.610 114 N HA 0.384 5.110 4.740 -0.024 0.000 0.264 114 N C 0.055 175.603 175.510 0.062 0.000 1.348 114 N CA -0.994 52.054 53.050 -0.003 0.000 0.819 114 N CB 0.359 38.870 38.487 0.040 0.000 1.521 114 N HN 0.226 nan 8.380 nan 0.000 0.497 115 W N -0.203 121.177 121.300 0.133 0.000 2.374 115 W HA -0.034 4.612 4.660 -0.024 0.000 0.288 115 W C 1.424 178.052 176.519 0.180 0.000 1.218 115 W CA 0.661 58.075 57.345 0.115 0.000 1.245 115 W CB 0.060 29.529 29.460 0.014 0.000 1.126 115 W HN 0.650 nan 8.180 nan 0.000 0.545 116 E N -0.920 119.503 120.200 0.372 0.000 2.051 116 E HA -0.266 4.070 4.350 -0.024 0.000 0.192 116 E C 1.667 178.431 176.600 0.274 0.000 0.991 116 E CA 1.810 58.373 56.400 0.272 0.000 0.799 116 E CB -0.724 29.095 29.700 0.198 0.000 0.748 116 E HN 0.340 nan 8.360 nan 0.000 0.449 117 H N -1.077 118.120 119.070 0.212 0.000 2.395 117 H HA -0.049 4.492 4.556 -0.024 0.000 0.299 117 H C 1.706 177.154 175.328 0.201 0.000 1.070 117 H CA 1.373 57.541 56.048 0.201 0.000 1.356 117 H CB -0.272 29.633 29.762 0.239 0.000 1.401 117 H HN 0.200 nan 8.280 nan 0.000 0.524 118 F N 0.886 120.925 119.950 0.149 0.000 2.126 118 F HA -0.248 4.265 4.527 -0.023 0.000 0.299 118 F C 1.898 177.755 175.800 0.096 0.000 1.096 118 F CA 1.657 59.724 58.000 0.111 0.000 1.255 118 F CB -0.263 38.825 39.000 0.147 0.000 0.997 118 F HN 0.169 nan 8.300 nan 0.000 0.479 119 N N 0.513 119.414 118.700 0.335 0.000 2.216 119 N HA -0.178 4.548 4.740 -0.024 0.000 0.183 119 N C 1.910 177.418 175.510 -0.003 0.000 1.017 119 N CA 1.311 54.487 53.050 0.209 0.000 0.861 119 N CB -0.568 38.070 38.487 0.252 0.000 0.986 119 N HN 0.585 nan 8.380 nan 0.000 0.428 120 E N 1.060 121.235 120.200 -0.041 0.000 2.058 120 E HA -0.137 4.198 4.350 -0.024 0.000 0.194 120 E C 1.862 178.349 176.600 -0.189 0.000 0.997 120 E CA 0.842 57.176 56.400 -0.109 0.000 0.801 120 E CB -0.084 29.535 29.700 -0.135 0.000 0.746 120 E HN 0.263 nan 8.360 nan 0.000 0.450 121 L N 0.838 121.875 121.223 -0.310 0.000 2.093 121 L HA -0.156 4.169 4.340 -0.024 0.000 0.208 121 L C 2.481 179.185 176.870 -0.278 0.000 1.085 121 L CA 1.143 55.800 54.840 -0.305 0.000 0.755 121 L CB -0.361 41.485 42.059 -0.355 0.000 0.904 121 L HN 0.219 nan 8.230 nan 0.000 0.435 122 D N 0.287 120.480 120.400 -0.345 0.000 2.117 122 D HA -0.143 4.482 4.640 -0.024 0.000 0.198 122 D C 2.167 178.400 176.300 -0.112 0.000 0.982 122 D CA 1.321 55.163 54.000 -0.263 0.000 0.828 122 D CB 0.202 40.859 40.800 -0.239 0.000 0.967 122 D HN 0.225 nan 8.370 nan 0.000 0.464 123 A N 0.347 123.118 122.820 -0.082 0.000 2.070 123 A HA -0.137 4.169 4.320 -0.024 0.000 0.220 123 A C 1.928 179.487 177.584 -0.042 0.000 1.159 123 A CA 1.102 53.114 52.037 -0.040 0.000 0.656 123 A CB -0.308 18.676 19.000 -0.027 0.000 0.800 123 A HN 0.219 nan 8.150 nan 0.000 0.453 124 K N -1.220 119.140 120.400 -0.067 0.000 2.417 124 K HA 0.252 4.558 4.320 -0.024 0.000 0.196 124 K C 0.917 177.488 176.600 -0.049 0.000 1.023 124 K CA 0.394 56.648 56.287 -0.054 0.000 1.122 124 K CB 0.000 32.461 32.500 -0.066 0.000 0.850 124 K HN 0.586 nan 8.250 nan 0.000 0.521 125 G N 1.425 110.193 108.800 -0.052 0.000 2.160 125 G HA2 -0.209 3.736 3.960 -0.024 0.000 0.251 125 G HA3 -0.209 3.736 3.960 -0.024 0.000 0.251 125 G C 0.341 175.212 174.900 -0.049 0.000 1.008 125 G CA -0.184 44.894 45.100 -0.037 0.000 0.724 125 G HN 0.182 nan 8.290 nan 0.000 0.514 126 L N -0.177 120.993 121.223 -0.089 0.000 2.728 126 L HA 0.741 5.067 4.340 -0.024 0.000 0.238 126 L C 1.313 178.109 176.870 -0.123 0.000 1.143 126 L CA 0.602 55.388 54.840 -0.091 0.000 0.937 126 L CB -0.206 41.793 42.059 -0.100 0.000 1.225 126 L HN 0.796 nan 8.230 nan 0.000 0.507 127 A N 0.015 122.732 122.820 -0.172 0.000 2.498 127 A HA 0.836 5.141 4.320 -0.024 0.000 0.298 127 A C -0.936 176.602 177.584 -0.077 0.000 1.075 127 A CA -0.392 51.490 52.037 -0.258 0.000 0.714 127 A CB 2.446 20.956 19.000 -0.815 0.000 1.299 127 A HN 0.028 nan 8.150 nan 0.000 0.407 128 M N 1.682 121.367 119.600 0.141 0.000 2.322 128 M HA 0.375 4.841 4.480 -0.024 0.000 0.285 128 M C -2.333 174.294 176.300 0.545 0.000 1.119 128 M CA -0.543 54.953 55.300 0.326 0.000 0.953 128 M CB 1.775 34.470 32.600 0.159 0.000 1.701 128 M HN 0.849 nan 8.290 nan 0.000 0.479 129 Y N 3.249 123.805 120.300 0.426 0.000 2.404 129 Y HA 0.523 5.058 4.550 -0.024 0.000 0.344 129 Y C 0.784 176.705 175.900 0.035 0.000 0.995 129 Y CA 0.297 58.495 58.100 0.165 0.000 1.201 129 Y CB 1.534 40.035 38.460 0.069 0.000 1.151 129 Y HN 0.813 nan 8.280 nan 0.000 0.517 130 G N 4.035 112.692 108.800 -0.238 0.000 2.880 130 G HA2 -0.002 3.943 3.960 -0.024 0.000 0.209 130 G HA3 -0.002 3.943 3.960 -0.024 0.000 0.209 130 G C 0.579 175.232 174.900 -0.412 0.000 1.157 130 G CA 0.238 45.104 45.100 -0.390 0.000 0.779 130 G HN 0.678 nan 8.290 nan 0.000 0.539 131 Q N -1.218 117.977 119.800 -1.010 0.000 1.795 131 Q HA -0.302 4.024 4.340 -0.024 0.000 0.404 131 Q C 1.787 177.692 176.000 -0.159 0.000 0.847 131 Q CA 1.933 57.220 55.803 -0.860 0.000 0.799 131 Q CB -1.196 26.945 28.738 -0.996 0.000 3.822 131 Q HN 0.409 nan 8.270 nan 0.000 0.742 132 M N -1.226 118.299 119.600 -0.124 0.000 2.749 132 M HA -0.003 4.462 4.480 -0.024 0.000 0.240 132 M C 1.913 177.925 176.300 -0.480 0.000 1.285 132 M CA 1.661 56.717 55.300 -0.406 0.000 1.267 132 M CB -0.081 32.292 32.600 -0.378 0.000 1.184 132 M HN 0.717 nan 8.290 nan 0.000 0.526 133 T N -1.589 112.967 114.554 0.003 0.000 3.086 133 T HA 0.392 4.728 4.350 -0.024 0.000 0.250 133 T C 1.529 176.415 174.700 0.310 0.000 1.074 133 T CA 0.413 62.607 62.100 0.156 0.000 0.988 133 T CB -0.035 68.983 68.868 0.249 0.000 0.988 133 T HN 0.239 nan 8.240 nan 0.000 0.530 134 A N 2.139 125.118 122.820 0.265 0.000 1.841 134 A HA 0.347 4.653 4.320 -0.024 0.000 0.214 134 A C 2.520 180.239 177.584 0.224 0.000 1.195 134 A CA 1.304 53.440 52.037 0.166 0.000 0.611 134 A CB -1.394 17.529 19.000 -0.129 0.000 0.835 134 A HN 0.569 nan 8.150 nan 0.000 0.443 135 G N -0.881 108.013 108.800 0.158 0.000 2.920 135 G HA2 0.149 4.095 3.960 -0.024 0.000 0.208 135 G HA3 0.149 4.095 3.960 -0.024 0.000 0.208 135 G C 1.232 176.064 174.900 -0.113 0.000 1.159 135 G CA 1.250 46.406 45.100 0.094 0.000 0.784 135 G HN 0.882 nan 8.290 nan 0.000 0.535 136 S N -1.714 114.004 115.700 0.030 0.000 2.593 136 S HA 0.172 4.628 4.470 -0.024 0.000 0.236 136 S C 0.316 175.067 174.600 0.253 0.000 0.991 136 S CA -0.390 57.764 58.200 -0.077 0.000 0.963 136 S CB -0.285 63.012 63.200 0.163 0.000 0.865 136 S HN 0.456 nan 8.310 nan 0.000 0.488 137 W N 0.224 121.753 121.300 0.381 0.000 5.324 137 W HA -0.151 4.494 4.660 -0.025 0.000 0.404 137 W C -0.123 176.683 176.519 0.478 0.000 1.566 137 W CA -0.311 57.262 57.345 0.380 0.000 0.927 137 W CB -2.564 27.051 29.460 0.258 0.000 2.757 137 W HN 0.490 nan 8.180 nan 0.000 1.382 138 I N -0.472 120.417 120.570 0.532 0.000 3.554 138 I HA 0.216 4.372 4.170 -0.024 0.000 0.321 138 I C -0.205 176.084 176.117 0.287 0.000 1.484 138 I CA -1.354 60.168 61.300 0.370 0.000 0.975 138 I CB -0.301 37.853 38.000 0.258 0.000 1.528 138 I HN -0.030 nan 8.210 nan 0.000 0.609 139 Y N 2.977 123.392 120.300 0.192 0.000 2.377 139 Y HA 0.437 4.973 4.550 -0.024 0.000 0.330 139 Y C 1.081 177.031 175.900 0.082 0.000 1.108 139 Y CA 0.026 58.186 58.100 0.100 0.000 1.308 139 Y CB 0.815 39.359 38.460 0.140 0.000 1.216 139 Y HN 0.292 nan 8.280 nan 0.000 0.518 140 I N 3.689 124.011 120.570 -0.413 0.000 3.424 140 I HA 0.636 4.791 4.170 -0.024 0.000 0.339 140 I C 0.655 176.521 176.117 -0.417 0.000 1.549 140 I CA -0.055 61.083 61.300 -0.269 0.000 1.049 140 I CB -0.153 37.760 38.000 -0.145 0.000 1.439 140 I HN 0.827 nan 8.210 nan 0.000 0.500 141 G N 1.802 110.120 108.800 -0.804 0.000 2.569 141 G HA2 -0.306 3.640 3.960 -0.024 0.000 0.259 141 G HA3 -0.306 3.640 3.960 -0.024 0.000 0.259 141 G C 0.481 174.983 174.900 -0.664 0.000 1.263 141 G CA 0.165 44.913 45.100 -0.587 0.000 0.928 141 G HN 0.347 nan 8.290 nan 0.000 0.572 142 S N -0.101 115.311 115.700 -0.480 0.000 2.442 142 S HA -0.115 4.341 4.470 -0.024 0.000 0.236 142 S C 2.130 176.565 174.600 -0.274 0.000 1.007 142 S CA 1.810 59.689 58.200 -0.535 0.000 0.965 142 S CB -0.152 62.357 63.200 -1.152 0.000 0.773 142 S HN 0.670 nan 8.310 nan 0.000 0.504 143 Q N 0.982 120.720 119.800 -0.103 0.000 2.181 143 Q HA -0.124 4.201 4.340 -0.024 0.000 0.205 143 Q C 2.171 178.186 176.000 0.025 0.000 0.980 143 Q CA 1.428 57.280 55.803 0.083 0.000 0.862 143 Q CB -0.488 28.312 28.738 0.103 0.000 0.905 143 Q HN 0.608 nan 8.270 nan 0.000 0.429 144 G N 0.921 109.646 108.800 -0.125 0.000 2.450 144 G HA2 -0.237 3.709 3.960 -0.024 0.000 0.220 144 G HA3 -0.237 3.709 3.960 -0.024 0.000 0.220 144 G C 1.308 176.230 174.900 0.037 0.000 1.130 144 G CA 0.689 45.739 45.100 -0.083 0.000 0.760 144 G HN 0.473 nan 8.290 nan 0.000 0.557 145 I N -0.322 120.259 120.570 0.019 0.000 3.854 145 I HA 0.164 4.320 4.170 -0.024 0.000 0.312 145 I C 2.337 178.529 176.117 0.125 0.000 1.273 145 I CA 0.060 61.420 61.300 0.100 0.000 1.298 145 I CB 0.364 38.396 38.000 0.054 0.000 1.071 145 I HN 0.048 nan 8.210 nan 0.000 0.428 146 V N 0.886 120.886 119.914 0.144 0.000 2.407 146 V HA -0.317 3.789 4.120 -0.024 0.000 0.248 146 V C 2.222 178.383 176.094 0.112 0.000 1.055 146 V CA 2.426 64.847 62.300 0.202 0.000 1.049 146 V CB -0.264 31.776 31.823 0.362 0.000 0.662 146 V HN 0.565 nan 8.190 nan 0.000 0.455 147 Q N -0.573 119.193 119.800 -0.057 0.000 2.119 147 Q HA -0.106 4.220 4.340 -0.024 0.000 0.201 147 Q C 2.134 177.706 176.000 -0.713 0.000 0.972 147 Q CA 1.755 57.146 55.803 -0.688 0.000 0.847 147 Q CB -0.489 27.558 28.738 -1.151 0.000 0.903 147 Q HN 0.720 nan 8.270 nan 0.000 0.433 148 G N -0.355 108.166 108.800 -0.464 0.000 2.418 148 G HA2 -0.254 3.692 3.960 -0.024 0.000 0.217 148 G HA3 -0.254 3.692 3.960 -0.024 0.000 0.217 148 G C 1.350 176.076 174.900 -0.291 0.000 1.158 148 G CA 1.323 46.149 45.100 -0.457 0.000 0.771 148 G HN 0.367 nan 8.290 nan 0.000 0.545 149 T N -0.024 114.431 114.554 -0.164 0.000 2.746 149 T HA -0.188 4.147 4.350 -0.024 0.000 0.267 149 T C 1.972 176.369 174.700 -0.505 0.000 1.039 149 T CA 1.367 63.215 62.100 -0.420 0.000 1.142 149 T CB -0.388 68.305 68.868 -0.292 0.000 0.866 149 T HN 0.404 nan 8.240 nan 0.000 0.444 150 Y N 2.394 122.506 120.300 -0.314 0.000 2.128 150 Y HA -0.174 4.362 4.550 -0.022 0.000 0.284 150 Y C 2.386 178.149 175.900 -0.228 0.000 1.154 150 Y CA 1.480 59.493 58.100 -0.144 0.000 1.149 150 Y CB -0.251 38.187 38.460 -0.037 0.000 0.976 150 Y HN 0.070 nan 8.280 nan 0.000 0.505 151 E N -0.340 119.574 120.200 -0.476 0.000 2.153 151 E HA -0.147 4.189 4.350 -0.024 0.000 0.194 151 E C 2.167 178.492 176.600 -0.459 0.000 0.988 151 E CA 1.617 57.688 56.400 -0.549 0.000 0.811 151 E CB -0.544 28.778 29.700 -0.629 0.000 0.746 151 E HN 0.541 nan 8.360 nan 0.000 0.466 152 T N 1.160 115.444 114.554 -0.451 0.000 2.674 152 T HA -0.111 4.224 4.350 -0.024 0.000 0.265 152 T C 1.622 175.996 174.700 -0.544 0.000 1.039 152 T CA 1.055 62.882 62.100 -0.456 0.000 1.150 152 T CB -0.310 68.269 68.868 -0.482 0.000 0.864 152 T HN 0.054 nan 8.240 nan 0.000 0.427 153 F N 1.112 120.820 119.950 -0.405 0.000 2.171 153 F HA -0.029 4.481 4.527 -0.028 0.000 0.300 153 F C 2.509 178.100 175.800 -0.348 0.000 1.090 153 F CA -0.222 57.577 58.000 -0.335 0.000 1.293 153 F CB -1.422 37.462 39.000 -0.194 0.000 1.013 153 F HN -0.033 nan 8.300 nan 0.000 0.486 154 V N -0.012 119.754 119.914 -0.248 0.000 2.287 154 V HA -0.291 3.815 4.120 -0.024 0.000 0.248 154 V C 2.457 178.400 176.094 -0.252 0.000 1.053 154 V CA 2.245 64.367 62.300 -0.297 0.000 1.027 154 V CB -0.564 30.956 31.823 -0.506 0.000 0.646 154 V HN 0.221 nan 8.190 nan 0.000 0.447 155 E N 0.601 120.612 120.200 -0.316 0.000 2.072 155 E HA -0.142 4.194 4.350 -0.024 0.000 0.191 155 E C 2.109 178.506 176.600 -0.338 0.000 0.985 155 E CA 1.559 57.794 56.400 -0.275 0.000 0.801 155 E CB -0.502 29.072 29.700 -0.209 0.000 0.750 155 E HN 0.501 nan 8.360 nan 0.000 0.452 156 A N 0.268 122.716 122.820 -0.619 0.000 1.908 156 A HA -0.076 4.230 4.320 -0.024 0.000 0.218 156 A C 2.479 180.000 177.584 -0.105 0.000 1.181 156 A CA 1.861 53.570 52.037 -0.547 0.000 0.627 156 A CB -1.405 17.195 19.000 -0.667 0.000 0.818 156 A HN 0.420 nan 8.150 nan 0.000 0.445 157 G N -0.616 108.157 108.800 -0.045 0.000 2.418 157 G HA2 -0.240 3.706 3.960 -0.024 0.000 0.217 157 G HA3 -0.240 3.706 3.960 -0.024 0.000 0.217 157 G C 1.762 176.665 174.900 0.005 0.000 1.158 157 G CA 0.939 46.092 45.100 0.088 0.000 0.771 157 G HN 0.579 nan 8.290 nan 0.000 0.545 158 R N -0.187 120.264 120.500 -0.082 0.000 2.115 158 R HA -0.012 4.313 4.340 -0.024 0.000 0.230 158 R C 2.789 179.010 176.300 -0.131 0.000 1.111 158 R CA 1.347 57.394 56.100 -0.089 0.000 0.976 158 R CB -0.200 30.037 30.300 -0.106 0.000 0.870 158 R HN 0.445 nan 8.270 nan 0.000 0.445 159 Q N -1.064 118.602 119.800 -0.222 0.000 2.137 159 Q HA -0.071 4.255 4.340 -0.024 0.000 0.198 159 Q C 1.473 177.195 176.000 -0.463 0.000 0.960 159 Q CA 0.922 56.506 55.803 -0.365 0.000 0.847 159 Q CB 0.299 28.741 28.738 -0.492 0.000 0.915 159 Q HN 0.544 nan 8.270 nan 0.000 0.448 160 H N -2.499 116.426 119.070 -0.242 0.000 2.681 160 H HA 0.107 4.649 4.556 -0.024 0.000 0.268 160 H C 0.336 175.258 175.328 -0.676 0.000 0.967 160 H CA 0.681 56.400 56.048 -0.547 0.000 1.233 160 H CB 0.641 29.878 29.762 -0.875 0.000 1.445 160 H HN 0.255 nan 8.280 nan 0.000 0.494 161 Y N -0.516 119.828 120.300 0.073 0.000 2.738 161 Y HA 0.324 4.861 4.550 -0.022 0.000 0.249 161 Y C 1.372 177.277 175.900 0.008 0.000 1.157 161 Y CA 0.041 58.163 58.100 0.037 0.000 1.189 161 Y CB 1.372 39.848 38.460 0.027 0.000 1.262 161 Y HN 0.233 nan 8.280 nan 0.000 0.554 162 G N 0.350 109.199 108.800 0.082 0.000 2.155 162 G HA2 -0.087 3.859 3.960 -0.024 0.000 0.257 162 G HA3 -0.087 3.859 3.960 -0.024 0.000 0.257 162 G C 0.982 175.905 174.900 0.039 0.000 0.983 162 G CA 0.493 45.622 45.100 0.048 0.000 0.676 162 G HN 1.150 nan 8.290 nan 0.000 0.528 163 G N -0.953 107.872 108.800 0.041 0.000 3.626 163 G HA2 -0.027 3.919 3.960 -0.024 0.000 0.241 163 G HA3 -0.027 3.919 3.960 -0.024 0.000 0.241 163 G C 1.503 176.419 174.900 0.026 0.000 1.824 163 G CA 1.492 46.601 45.100 0.015 0.000 1.511 163 G HN 1.913 nan 8.290 nan 0.000 0.600 164 S N 0.738 116.458 115.700 0.035 0.000 2.382 164 S HA 0.077 4.533 4.470 -0.024 0.000 0.228 164 S C 1.958 176.569 174.600 0.018 0.000 1.027 164 S CA 2.158 60.377 58.200 0.032 0.000 0.991 164 S CB -0.347 62.872 63.200 0.032 0.000 0.823 164 S HN 1.540 nan 8.310 nan 0.000 0.469 165 L N -1.549 119.680 121.223 0.011 0.000 5.044 165 L HA -0.203 4.122 4.340 -0.024 0.000 0.412 165 L C -0.563 176.269 176.870 -0.064 0.000 0.971 165 L CA -0.240 54.567 54.840 -0.055 0.000 1.411 165 L CB -0.855 41.167 42.059 -0.062 0.000 1.884 165 L HN -0.227 nan 8.230 nan 0.000 0.631 166 K N 1.245 121.628 120.400 -0.029 0.000 2.511 166 K HA -0.103 4.203 4.320 -0.024 0.000 0.280 166 K C 1.344 177.921 176.600 -0.038 0.000 1.008 166 K CA 0.227 56.499 56.287 -0.025 0.000 1.050 166 K CB 0.302 32.796 32.500 -0.010 0.000 0.889 166 K HN -0.076 nan 8.250 nan 0.000 0.484 167 G N 2.701 111.483 108.800 -0.029 0.000 2.179 167 G HA2 -0.215 3.731 3.960 -0.024 0.000 0.260 167 G HA3 -0.215 3.731 3.960 -0.024 0.000 0.260 167 G C -0.340 174.540 174.900 -0.033 0.000 0.977 167 G CA 0.302 45.388 45.100 -0.024 0.000 0.641 167 G HN 0.526 nan 8.290 nan 0.000 0.533 168 K N -0.394 119.963 120.400 -0.071 0.000 2.238 168 K HA 0.527 4.832 4.320 -0.024 0.000 0.239 168 K C -0.573 176.054 176.600 0.045 0.000 0.987 168 K CA -0.870 55.348 56.287 -0.115 0.000 0.857 168 K CB 1.167 33.439 32.500 -0.380 0.000 1.154 168 K HN 0.272 nan 8.250 nan 0.000 0.439 169 W N -0.563 120.595 121.300 -0.237 0.000 3.127 169 W HA 0.452 5.097 4.660 -0.025 0.000 0.330 169 W C -1.149 175.224 176.519 -0.244 0.000 1.187 169 W CA -0.889 56.328 57.345 -0.214 0.000 1.198 169 W CB 0.177 29.543 29.460 -0.157 0.000 1.408 169 W HN -0.361 nan 8.180 nan 0.000 0.529 170 V N 4.003 123.832 119.914 -0.143 0.000 2.472 170 V HA 0.396 4.502 4.120 -0.024 0.000 0.290 170 V C -0.403 175.587 176.094 -0.174 0.000 1.037 170 V CA -0.761 61.344 62.300 -0.325 0.000 0.908 170 V CB 1.371 32.912 31.823 -0.469 0.000 0.985 170 V HN 0.436 nan 8.190 nan 0.000 0.454 171 L N 4.644 125.660 121.223 -0.345 0.000 2.313 171 L HA 0.863 5.189 4.340 -0.024 0.000 0.283 171 L C -0.210 176.558 176.870 -0.170 0.000 1.013 171 L CA 0.867 55.584 54.840 -0.204 0.000 0.816 171 L CB 1.653 43.475 42.059 -0.396 0.000 1.236 171 L HN 0.872 nan 8.230 nan 0.000 0.419 172 T N 3.094 117.620 114.554 -0.048 0.000 2.665 172 T HA 0.930 5.265 4.350 -0.024 0.000 0.303 172 T C -1.726 173.001 174.700 0.046 0.000 1.334 172 T CA 0.094 62.189 62.100 -0.008 0.000 1.011 172 T CB 1.284 70.158 68.868 0.010 0.000 1.573 172 T HN 1.011 nan 8.240 nan 0.000 0.492 173 A N -0.554 122.316 122.820 0.083 0.000 2.593 173 A HA 0.891 5.197 4.320 -0.024 0.000 0.290 173 A C 0.138 177.782 177.584 0.099 0.000 1.126 173 A CA -0.098 51.986 52.037 0.078 0.000 0.695 173 A CB 1.003 20.045 19.000 0.070 0.000 1.290 173 A HN 2.292 nan 8.150 nan 0.000 0.414 174 G N -0.613 108.229 108.800 0.070 0.000 3.269 174 G HA2 0.125 4.070 3.960 -0.024 0.000 0.668 174 G HA3 0.125 4.070 3.960 -0.024 0.000 0.668 174 G C -0.688 174.253 174.900 0.069 0.000 1.100 174 G CA -0.145 45.003 45.100 0.080 0.000 0.940 174 G HN 1.273 nan 8.290 nan 0.000 0.438 175 L N 2.782 124.028 121.223 0.039 0.000 3.030 175 L HA 0.473 4.799 4.340 -0.024 0.000 0.252 175 L C 1.484 178.359 176.870 0.008 0.000 1.316 175 L CA -0.043 54.814 54.840 0.029 0.000 0.975 175 L CB 0.305 42.385 42.059 0.035 0.000 1.357 175 L HN 0.703 nan 8.230 nan 0.000 0.534 176 G N -0.544 108.272 108.800 0.028 0.000 2.509 176 G HA2 0.343 4.289 3.960 -0.024 0.000 0.269 176 G HA3 0.343 4.289 3.960 -0.024 0.000 0.269 176 G C 1.031 175.924 174.900 -0.013 0.000 1.416 176 G CA 0.259 45.380 45.100 0.034 0.000 1.052 176 G HN 0.315 nan 8.290 nan 0.000 0.542 177 G N -0.813 108.007 108.800 0.033 0.000 2.440 177 G HA2 -0.166 3.780 3.960 -0.024 0.000 0.218 177 G HA3 -0.166 3.780 3.960 -0.024 0.000 0.218 177 G C 1.615 176.497 174.900 -0.029 0.000 1.154 177 G CA 1.159 46.258 45.100 -0.002 0.000 0.767 177 G HN 0.336 nan 8.290 nan 0.000 0.552 178 M N 0.372 120.003 119.600 0.052 0.000 2.429 178 M HA 0.155 4.621 4.480 -0.024 0.000 0.265 178 M C 2.860 179.189 176.300 0.049 0.000 1.120 178 M CA 1.091 56.402 55.300 0.019 0.000 1.173 178 M CB -0.980 31.649 32.600 0.048 0.000 1.343 178 M HN 0.264 nan 8.290 nan 0.000 0.464 179 G N 0.442 109.296 108.800 0.089 0.000 2.470 179 G HA2 -0.118 3.828 3.960 -0.024 0.000 0.220 179 G HA3 -0.118 3.828 3.960 -0.024 0.000 0.220 179 G C 1.489 176.427 174.900 0.064 0.000 1.121 179 G CA 0.967 46.132 45.100 0.108 0.000 0.766 179 G HN 0.560 nan 8.290 nan 0.000 0.553 180 G N 0.714 109.508 108.800 -0.010 0.000 2.498 180 G HA2 0.107 4.053 3.960 -0.024 0.000 0.219 180 G HA3 0.107 4.053 3.960 -0.024 0.000 0.219 180 G C 1.775 176.664 174.900 -0.018 0.000 1.119 180 G CA 1.187 46.258 45.100 -0.048 0.000 0.766 180 G HN 0.591 nan 8.290 nan 0.000 0.552 181 A N 0.055 122.861 122.820 -0.024 0.000 2.119 181 A HA 0.092 4.398 4.320 -0.024 0.000 0.216 181 A C 2.222 179.935 177.584 0.214 0.000 1.152 181 A CA 1.297 53.406 52.037 0.121 0.000 0.708 181 A CB -0.189 18.852 19.000 0.068 0.000 0.805 181 A HN 0.443 nan 8.150 nan 0.000 0.460 182 Q N -0.009 119.896 119.800 0.174 0.000 2.030 182 Q HA -0.146 4.180 4.340 -0.024 0.000 0.204 182 Q C -0.501 175.668 176.000 0.281 0.000 0.986 182 Q CA 1.911 57.858 55.803 0.241 0.000 0.843 182 Q CB -1.022 27.840 28.738 0.207 0.000 0.904 182 Q HN 0.539 nan 8.270 nan 0.000 0.420 183 P HA -0.193 nan 4.420 nan 0.000 0.215 183 P C 1.450 178.833 177.300 0.137 0.000 1.157 183 P CA 1.101 64.283 63.100 0.138 0.000 0.868 183 P CB -0.038 31.732 31.700 0.116 0.000 0.788 184 L N -0.042 121.286 121.223 0.175 0.000 2.056 184 L HA -0.007 4.319 4.340 -0.024 0.000 0.207 184 L C 2.532 179.504 176.870 0.170 0.000 1.078 184 L CA 1.901 56.805 54.840 0.106 0.000 0.749 184 L CB -1.635 40.442 42.059 0.030 0.000 0.901 184 L HN -0.104 nan 8.230 nan 0.000 0.433 185 A N -0.351 122.638 122.820 0.282 0.000 1.883 185 A HA -0.176 4.130 4.320 -0.024 0.000 0.217 185 A C 2.466 180.333 177.584 0.472 0.000 1.186 185 A CA 2.082 54.358 52.037 0.399 0.000 0.624 185 A CB -1.251 17.959 19.000 0.350 0.000 0.822 185 A HN 0.568 nan 8.150 nan 0.000 0.444 186 A N -1.244 121.789 122.820 0.355 0.000 1.877 186 A HA -0.102 4.203 4.320 -0.024 0.000 0.216 186 A C 2.319 179.922 177.584 0.032 0.000 1.186 186 A CA 2.371 54.395 52.037 -0.021 0.000 0.620 186 A CB -1.384 17.425 19.000 -0.319 0.000 0.822 186 A HN 0.433 nan 8.150 nan 0.000 0.443 187 T N 0.621 115.207 114.554 0.054 0.000 2.665 187 T HA -0.143 4.193 4.350 -0.024 0.000 0.268 187 T C 1.769 176.507 174.700 0.064 0.000 1.035 187 T CA 1.659 63.774 62.100 0.026 0.000 1.151 187 T CB -0.445 68.420 68.868 -0.005 0.000 0.862 187 T HN 0.389 nan 8.240 nan 0.000 0.438 188 L N 0.559 121.859 121.223 0.130 0.000 2.131 188 L HA -0.015 4.311 4.340 -0.024 0.000 0.210 188 L C 2.792 179.880 176.870 0.364 0.000 1.092 188 L CA 0.982 55.919 54.840 0.163 0.000 0.759 188 L CB -0.544 41.560 42.059 0.076 0.000 0.903 188 L HN 0.228 nan 8.230 nan 0.000 0.435 189 A N -0.559 122.494 122.820 0.389 0.000 2.208 189 A HA 0.272 4.578 4.320 -0.024 0.000 0.209 189 A C 1.764 179.409 177.584 0.101 0.000 1.161 189 A CA 0.871 53.052 52.037 0.239 0.000 0.782 189 A CB -0.283 18.795 19.000 0.130 0.000 0.816 189 A HN 0.529 nan 8.150 nan 0.000 0.477 190 G N -2.530 106.313 108.800 0.073 0.000 2.179 190 G HA2 0.161 4.107 3.960 -0.024 0.000 0.220 190 G HA3 0.161 4.107 3.960 -0.024 0.000 0.220 190 G C 0.301 175.190 174.900 -0.019 0.000 0.990 190 G CA 0.144 45.257 45.100 0.022 0.000 0.646 190 G HN 1.511 nan 8.290 nan 0.000 0.517 191 A N 1.138 123.931 122.820 -0.046 0.000 2.303 191 A HA 0.668 4.974 4.320 -0.024 0.000 0.317 191 A C -0.844 176.712 177.584 -0.046 0.000 1.149 191 A CA -0.562 51.429 52.037 -0.077 0.000 0.822 191 A CB 1.964 20.857 19.000 -0.178 0.000 1.131 191 A HN -0.127 nan 8.150 nan 0.000 0.493 192 C N 0.335 119.637 119.300 0.003 0.000 2.595 192 C HA 0.212 nan 4.460 nan 0.000 0.384 192 C C 1.171 176.198 174.990 0.062 0.000 1.289 192 C CA -0.354 58.685 59.018 0.035 0.000 2.372 192 C CB 0.823 28.602 27.740 0.065 0.000 2.593 192 C HN 0.909 9.125 8.230 -0.023 0.000 0.639 193 S N 1.784 117.521 115.700 0.063 0.000 2.541 193 S HA 0.763 5.218 4.470 -0.024 0.000 0.271 193 S C -1.423 173.242 174.600 0.108 0.000 1.133 193 S CA -0.516 57.735 58.200 0.084 0.000 0.876 193 S CB 1.122 64.316 63.200 -0.011 0.000 1.105 193 S HN 0.433 nan 8.310 nan 0.000 0.470 194 L N 2.272 123.599 121.223 0.174 0.000 2.319 194 L HA 0.598 4.924 4.340 -0.024 0.000 0.281 194 L C -1.293 175.636 176.870 0.098 0.000 1.005 194 L CA -0.389 54.527 54.840 0.127 0.000 0.828 194 L CB 1.073 43.245 42.059 0.188 0.000 1.227 194 L HN 0.847 nan 8.230 nan 0.000 0.415 195 N N 6.513 125.253 118.700 0.067 0.000 2.524 195 N HA 0.347 5.073 4.740 -0.024 0.000 0.261 195 N C -0.807 174.729 175.510 0.044 0.000 0.998 195 N CA -0.387 52.698 53.050 0.058 0.000 0.915 195 N CB 2.453 40.979 38.487 0.065 0.000 1.187 195 N HN 0.651 nan 8.380 nan 0.000 0.507 196 I N 0.815 121.403 120.570 0.030 0.000 2.428 196 I HA 0.361 4.517 4.170 -0.024 0.000 0.289 196 I C -0.344 175.764 176.117 -0.015 0.000 1.019 196 I CA -0.054 61.248 61.300 0.002 0.000 1.351 196 I CB 0.952 38.938 38.000 -0.023 0.000 1.412 196 I HN 0.377 nan 8.210 nan 0.000 0.513 197 E N 7.970 128.152 120.200 -0.031 0.000 2.304 197 E HA 0.287 4.623 4.350 -0.024 0.000 0.277 197 E C -2.076 174.459 176.600 -0.108 0.000 0.898 197 E CA -1.002 55.369 56.400 -0.047 0.000 0.764 197 E CB 2.201 31.902 29.700 0.002 0.000 1.216 197 E HN 0.436 nan 8.360 nan 0.000 0.419 198 S N 2.915 118.518 115.700 -0.161 0.000 2.501 198 S HA -0.091 nan 4.470 nan 0.000 0.220 198 S C 0.013 174.516 174.600 -0.162 0.000 0.997 198 S CA 0.808 58.864 58.200 -0.240 0.000 0.919 198 S CB 0.385 63.513 63.200 -0.120 0.000 0.778 198 S HN 0.209 8.447 8.310 -0.120 0.000 0.523 199 Q N 1.673 121.394 119.800 -0.132 0.000 2.347 199 Q HA 0.256 4.581 4.340 -0.024 0.000 0.262 199 Q C 0.337 176.375 176.000 0.063 0.000 0.980 199 Q CA -0.506 55.242 55.803 -0.091 0.000 0.867 199 Q CB 1.314 29.808 28.738 -0.406 0.000 1.242 199 Q HN -0.115 nan 8.270 nan 0.000 0.453 200 Q N 1.640 121.512 119.800 0.121 0.000 2.152 200 Q HA -0.221 4.105 4.340 -0.024 0.000 0.206 200 Q C 1.829 177.833 176.000 0.007 0.000 0.985 200 Q CA 2.574 58.382 55.803 0.007 0.000 0.863 200 Q CB -0.034 28.622 28.738 -0.137 0.000 0.904 200 Q HN 0.767 nan 8.270 nan 0.000 0.422 201 S N -0.736 114.962 115.700 -0.004 0.000 2.419 201 S HA -0.131 4.325 4.470 -0.024 0.000 0.233 201 S C 1.768 176.410 174.600 0.070 0.000 1.016 201 S CA 0.758 58.966 58.200 0.013 0.000 0.974 201 S CB -0.207 62.992 63.200 -0.001 0.000 0.786 201 S HN 0.270 nan 8.310 nan 0.000 0.492 202 R N 1.303 121.832 120.500 0.049 0.000 2.075 202 R HA 0.295 4.621 4.340 -0.024 0.000 0.226 202 R C 2.299 178.664 176.300 0.108 0.000 1.114 202 R CA 1.030 57.185 56.100 0.092 0.000 0.972 202 R CB -1.189 29.108 30.300 -0.004 0.000 0.869 202 R HN 0.519 nan 8.270 nan 0.000 0.437 203 I N 1.375 121.991 120.570 0.077 0.000 2.208 203 I HA -0.287 3.869 4.170 -0.024 0.000 0.245 203 I C 1.543 177.721 176.117 0.102 0.000 1.097 203 I CA 1.481 62.830 61.300 0.081 0.000 1.363 203 I CB -0.400 37.640 38.000 0.067 0.000 1.051 203 I HN 0.043 nan 8.210 nan 0.000 0.413 204 D N 0.631 121.088 120.400 0.096 0.000 2.117 204 D HA -0.197 4.429 4.640 -0.024 0.000 0.197 204 D C 1.969 178.378 176.300 0.181 0.000 0.987 204 D CA 1.197 55.255 54.000 0.097 0.000 0.829 204 D CB -0.375 40.454 40.800 0.049 0.000 0.961 204 D HN 0.190 nan 8.370 nan 0.000 0.460 205 F N 1.855 121.824 119.950 0.032 0.000 2.102 205 F HA -0.120 4.384 4.527 -0.040 0.000 0.298 205 F C 2.204 178.044 175.800 0.067 0.000 1.105 205 F CA 1.077 59.104 58.000 0.046 0.000 1.239 205 F CB -0.333 38.691 39.000 0.040 0.000 0.991 205 F HN -0.206 nan 8.300 nan 0.000 0.474 206 R N 0.174 120.812 120.500 0.230 0.000 2.081 206 R HA -0.115 4.211 4.340 -0.024 0.000 0.235 206 R C 2.399 178.806 176.300 0.178 0.000 1.131 206 R CA 1.368 57.561 56.100 0.155 0.000 0.960 206 R CB -0.988 29.375 30.300 0.105 0.000 0.856 206 R HN 0.320 nan 8.270 nan 0.000 0.436 207 L N 0.184 121.493 121.223 0.143 0.000 2.017 207 L HA -0.191 4.134 4.340 -0.024 0.000 0.208 207 L C 2.001 178.937 176.870 0.111 0.000 1.073 207 L CA 1.573 56.474 54.840 0.102 0.000 0.745 207 L CB -0.375 41.728 42.059 0.073 0.000 0.894 207 L HN 0.259 nan 8.230 nan 0.000 0.432 208 E N -0.694 119.596 120.200 0.149 0.000 2.204 208 E HA -0.155 4.181 4.350 -0.024 0.000 0.194 208 E C 1.692 178.390 176.600 0.163 0.000 0.989 208 E CA 1.580 58.063 56.400 0.137 0.000 0.824 208 E CB -0.013 29.768 29.700 0.134 0.000 0.756 208 E HN 0.551 nan 8.360 nan 0.000 0.477 209 T N -2.130 112.564 114.554 0.234 0.000 3.122 209 T HA 0.256 4.592 4.350 -0.024 0.000 0.250 209 T C 0.486 175.285 174.700 0.164 0.000 1.067 209 T CA -0.308 61.944 62.100 0.253 0.000 0.966 209 T CB 0.141 69.229 68.868 0.367 0.000 1.002 209 T HN 0.032 nan 8.240 nan 0.000 0.542 210 R N -1.489 119.059 120.500 0.079 0.000 3.936 210 R HA -0.190 4.136 4.340 -0.024 0.000 0.366 210 R C 0.020 176.236 176.300 -0.140 0.000 1.158 210 R CA 0.918 56.986 56.100 -0.053 0.000 0.969 210 R CB -2.985 27.235 30.300 -0.134 0.000 1.504 210 R HN 0.488 nan 8.270 nan 0.000 0.538 211 Y N -1.282 119.014 120.300 -0.006 0.000 2.475 211 Y HA 0.267 4.807 4.550 -0.018 0.000 0.289 211 Y C 1.173 177.076 175.900 0.006 0.000 1.121 211 Y CA 1.075 59.172 58.100 -0.006 0.000 1.257 211 Y CB 0.909 39.361 38.460 -0.014 0.000 1.026 211 Y HN 0.072 nan 8.280 nan 0.000 0.555 212 V N -0.243 119.744 119.914 0.121 0.000 2.735 212 V HA 0.225 4.331 4.120 -0.024 0.000 0.310 212 V C -0.242 175.871 176.094 0.033 0.000 1.061 212 V CA -0.631 61.714 62.300 0.075 0.000 0.913 212 V CB 1.936 33.811 31.823 0.087 0.000 1.005 212 V HN 0.037 nan 8.190 nan 0.000 0.428 213 D N 2.846 123.251 120.400 0.010 0.000 2.149 213 D HA 0.106 4.732 4.640 -0.024 0.000 0.206 213 D C 0.293 176.592 176.300 -0.002 0.000 0.967 213 D CA 1.007 54.998 54.000 -0.016 0.000 0.848 213 D CB 0.537 41.306 40.800 -0.051 0.000 0.998 213 D HN 0.856 nan 8.370 nan 0.000 0.474 214 E N -0.479 119.732 120.200 0.018 0.000 2.445 214 E HA 0.436 4.772 4.350 -0.024 0.000 0.279 214 E C -1.057 175.565 176.600 0.037 0.000 1.018 214 E CA -0.867 55.550 56.400 0.028 0.000 0.816 214 E CB 1.790 31.514 29.700 0.041 0.000 1.356 214 E HN -0.190 nan 8.360 nan 0.000 0.462 215 Q N 0.870 120.689 119.800 0.032 0.000 2.330 215 Q HA 0.614 4.939 4.340 -0.024 0.000 0.269 215 Q C -1.344 174.669 176.000 0.021 0.000 1.022 215 Q CA -0.613 55.208 55.803 0.030 0.000 0.796 215 Q CB 1.874 30.627 28.738 0.025 0.000 1.271 215 Q HN 0.686 nan 8.270 nan 0.000 0.450 216 A N 1.932 124.762 122.820 0.017 0.000 2.313 216 A HA 0.303 4.609 4.320 -0.024 0.000 0.261 216 A C 0.936 178.523 177.584 0.005 0.000 1.090 216 A CA 0.274 52.311 52.037 -0.000 0.000 0.807 216 A CB 0.483 19.472 19.000 -0.018 0.000 1.055 216 A HN 0.942 nan 8.150 nan 0.000 0.492 217 T N -2.276 112.275 114.554 -0.004 0.000 3.051 217 T HA 0.308 4.643 4.350 -0.024 0.000 0.255 217 T C 0.053 174.759 174.700 0.011 0.000 1.085 217 T CA 0.935 63.036 62.100 0.002 0.000 1.109 217 T CB -0.568 68.296 68.868 -0.006 0.000 0.921 217 T HN 0.882 nan 8.240 nan 0.000 0.488 218 D N -1.097 119.305 120.400 0.003 0.000 2.738 218 D HA 0.287 4.913 4.640 -0.024 0.000 0.308 218 D C 0.450 176.744 176.300 -0.009 0.000 1.311 218 D CA -0.878 53.126 54.000 0.006 0.000 0.799 218 D CB 0.364 41.166 40.800 0.003 0.000 1.332 218 D HN -0.104 nan 8.370 nan 0.000 0.441 219 L N 0.476 121.695 121.223 -0.006 0.000 2.046 219 L HA -0.009 4.317 4.340 -0.024 0.000 0.208 219 L C 1.154 178.004 176.870 -0.034 0.000 1.077 219 L CA 2.099 56.932 54.840 -0.012 0.000 0.747 219 L CB -0.946 41.114 42.059 0.002 0.000 0.896 219 L HN 0.475 nan 8.230 nan 0.000 0.432 220 D N -0.451 119.930 120.400 -0.031 0.000 2.104 220 D HA -0.228 4.397 4.640 -0.024 0.000 0.194 220 D C 1.847 178.103 176.300 -0.073 0.000 0.994 220 D CA 1.614 55.586 54.000 -0.046 0.000 0.830 220 D CB -0.248 40.531 40.800 -0.035 0.000 0.959 220 D HN 0.491 nan 8.370 nan 0.000 0.452 221 D N 0.200 120.560 120.400 -0.065 0.000 2.144 221 D HA -0.085 4.541 4.640 -0.024 0.000 0.199 221 D C 1.904 178.132 176.300 -0.120 0.000 0.984 221 D CA 1.546 55.496 54.000 -0.083 0.000 0.834 221 D CB -0.087 40.679 40.800 -0.056 0.000 0.955 221 D HN 0.097 nan 8.370 nan 0.000 0.465 222 A N 0.160 122.917 122.820 -0.105 0.000 1.902 222 A HA -0.087 4.219 4.320 -0.024 0.000 0.217 222 A C 2.449 179.895 177.584 -0.230 0.000 1.181 222 A CA 1.150 53.105 52.037 -0.137 0.000 0.623 222 A CB -0.841 18.107 19.000 -0.087 0.000 0.818 222 A HN 0.375 nan 8.150 nan 0.000 0.443 223 L N -0.552 120.547 121.223 -0.206 0.000 2.093 223 L HA -0.136 4.190 4.340 -0.024 0.000 0.208 223 L C 2.481 179.182 176.870 -0.282 0.000 1.085 223 L CA 0.851 55.533 54.840 -0.263 0.000 0.755 223 L CB -0.508 41.457 42.059 -0.157 0.000 0.904 223 L HN 0.246 nan 8.230 nan 0.000 0.435 224 V N -0.137 119.639 119.914 -0.229 0.000 2.358 224 V HA -0.245 3.861 4.120 -0.024 0.000 0.246 224 V C 2.609 178.490 176.094 -0.355 0.000 1.047 224 V CA 1.623 63.781 62.300 -0.236 0.000 1.035 224 V CB -0.578 31.139 31.823 -0.177 0.000 0.658 224 V HN 0.418 nan 8.190 nan 0.000 0.452 225 R N -0.483 119.765 120.500 -0.421 0.000 2.073 225 R HA -0.123 4.202 4.340 -0.024 0.000 0.234 225 R C 2.209 178.012 176.300 -0.828 0.000 1.134 225 R CA 1.572 57.230 56.100 -0.736 0.000 0.952 225 R CB -0.498 29.475 30.300 -0.545 0.000 0.850 225 R HN 0.361 nan 8.270 nan 0.000 0.433 226 I N 0.982 121.214 120.570 -0.564 0.000 2.179 226 I HA -0.260 3.896 4.170 -0.024 0.000 0.242 226 I C 2.520 178.337 176.117 -0.500 0.000 1.088 226 I CA 1.566 62.514 61.300 -0.587 0.000 1.357 226 I CB -0.495 36.918 38.000 -0.979 0.000 1.051 226 I HN 0.163 nan 8.210 nan 0.000 0.409 227 A N -0.037 122.523 122.820 -0.433 0.000 1.902 227 A HA -0.287 4.018 4.320 -0.024 0.000 0.217 227 A C 2.393 179.846 177.584 -0.219 0.000 1.181 227 A CA 2.166 54.035 52.037 -0.280 0.000 0.623 227 A CB -0.607 18.266 19.000 -0.212 0.000 0.818 227 A HN 0.423 nan 8.150 nan 0.000 0.443 228 K N -1.710 118.516 120.400 -0.290 0.000 2.007 228 K HA -0.150 4.156 4.320 -0.024 0.000 0.206 228 K C 1.872 178.436 176.600 -0.060 0.000 1.047 228 K CA 1.584 57.747 56.287 -0.205 0.000 0.937 228 K CB -0.399 31.920 32.500 -0.302 0.000 0.718 228 K HN 0.407 nan 8.250 nan 0.000 0.438 229 Y N 1.028 121.259 120.300 -0.116 0.000 2.181 229 Y HA -0.172 4.369 4.550 -0.016 0.000 0.288 229 Y C 2.789 178.635 175.900 -0.091 0.000 1.146 229 Y CA 1.452 59.493 58.100 -0.099 0.000 1.164 229 Y CB -1.379 37.016 38.460 -0.109 0.000 0.982 229 Y HN 0.230 nan 8.280 nan 0.000 0.515 230 T N -0.126 114.448 114.554 0.033 0.000 2.708 230 T HA -0.174 4.162 4.350 -0.024 0.000 0.266 230 T C 2.237 176.937 174.700 -0.000 0.000 1.037 230 T CA 1.566 63.667 62.100 0.002 0.000 1.146 230 T CB -0.489 68.362 68.868 -0.027 0.000 0.865 230 T HN 0.356 nan 8.240 nan 0.000 0.435 231 A N 0.898 123.708 122.820 -0.017 0.000 1.948 231 A HA -0.110 4.196 4.320 -0.024 0.000 0.220 231 A C 2.039 179.624 177.584 0.001 0.000 1.177 231 A CA 2.030 54.059 52.037 -0.012 0.000 0.636 231 A CB -0.590 18.395 19.000 -0.027 0.000 0.815 231 A HN 0.755 nan 8.150 nan 0.000 0.449 232 E N -1.808 118.403 120.200 0.017 0.000 2.489 232 E HA 0.303 4.639 4.350 -0.024 0.000 0.193 232 E C 1.012 177.617 176.600 0.008 0.000 1.057 232 E CA 0.272 56.683 56.400 0.018 0.000 0.866 232 E CB -0.006 29.716 29.700 0.037 0.000 0.916 232 E HN 0.743 nan 8.360 nan 0.000 0.500 233 G N 1.830 110.635 108.800 0.008 0.000 2.147 233 G HA2 -0.275 3.671 3.960 -0.024 0.000 0.244 233 G HA3 -0.275 3.671 3.960 -0.024 0.000 0.244 233 G C 0.099 174.990 174.900 -0.015 0.000 1.005 233 G CA 0.122 45.220 45.100 -0.004 0.000 0.713 233 G HN 0.016 nan 8.290 nan 0.000 0.515 234 K N 0.159 120.549 120.400 -0.016 0.000 2.126 234 K HA 0.757 5.063 4.320 -0.024 0.000 0.257 234 K C 0.478 177.041 176.600 -0.062 0.000 1.007 234 K CA 0.352 56.600 56.287 -0.065 0.000 0.928 234 K CB 1.296 33.721 32.500 -0.124 0.000 1.013 234 K HN 0.796 nan 8.250 nan 0.000 0.473 235 A N 3.486 126.253 122.820 -0.089 0.000 2.802 235 A HA 0.421 4.726 4.320 -0.024 0.000 0.344 235 A C -0.932 176.593 177.584 -0.098 0.000 1.215 235 A CA -0.554 51.443 52.037 -0.067 0.000 0.821 235 A CB -0.285 18.688 19.000 -0.044 0.000 1.099 235 A HN 0.584 nan 8.150 nan 0.000 0.479 236 I N 2.150 122.654 120.570 -0.110 0.000 2.545 236 I HA 0.564 4.720 4.170 -0.024 0.000 0.292 236 I C -0.325 175.771 176.117 -0.035 0.000 1.040 236 I CA -0.322 60.894 61.300 -0.140 0.000 1.068 236 I CB 2.496 40.272 38.000 -0.374 0.000 1.251 236 I HN 0.485 nan 8.210 nan 0.000 0.424 237 S N 7.871 123.559 115.700 -0.021 0.000 2.508 237 S HA 0.668 5.124 4.470 -0.024 0.000 0.284 237 S C -0.622 174.001 174.600 0.039 0.000 1.192 237 S CA -0.801 57.412 58.200 0.020 0.000 1.070 237 S CB 1.610 64.828 63.200 0.029 0.000 1.004 237 S HN 0.419 nan 8.310 nan 0.000 0.493 238 I N 2.168 122.770 120.570 0.052 0.000 2.406 238 I HA 0.542 4.698 4.170 -0.024 0.000 0.290 238 I C 0.448 176.593 176.117 0.046 0.000 0.999 238 I CA -1.050 60.281 61.300 0.051 0.000 1.124 238 I CB 0.940 38.960 38.000 0.035 0.000 1.289 238 I HN 0.911 nan 8.210 nan 0.000 0.441 239 A N 6.607 129.455 122.820 0.047 0.000 2.304 239 A HA 0.742 5.048 4.320 -0.024 0.000 0.301 239 A C -0.841 176.771 177.584 0.047 0.000 1.132 239 A CA -0.394 51.673 52.037 0.051 0.000 0.819 239 A CB 1.030 20.064 19.000 0.057 0.000 1.094 239 A HN 0.612 nan 8.150 nan 0.000 0.492 240 L N 2.228 123.481 121.223 0.050 0.000 2.406 240 L HA 0.314 4.639 4.340 -0.024 0.000 0.272 240 L C -0.210 176.707 176.870 0.078 0.000 0.980 240 L CA -0.254 54.618 54.840 0.055 0.000 0.831 240 L CB 1.463 43.540 42.059 0.030 0.000 1.253 240 L HN 0.842 nan 8.230 nan 0.000 0.406 241 H N 4.698 123.766 119.070 -0.004 0.000 2.899 241 H HA 0.571 5.112 4.556 -0.025 0.000 0.303 241 H C -0.152 175.172 175.328 -0.008 0.000 1.042 241 H CA 1.001 57.045 56.048 -0.007 0.000 1.479 241 H CB 0.576 30.337 29.762 -0.003 0.000 1.493 241 H HN 0.922 nan 8.280 nan 0.000 0.534 242 G N 4.064 112.673 108.800 -0.318 0.000 2.323 242 G HA2 -0.092 3.854 3.960 -0.024 0.000 0.291 242 G HA3 -0.092 3.854 3.960 -0.024 0.000 0.291 242 G C -1.631 173.135 174.900 -0.224 0.000 1.278 242 G CA -0.882 44.062 45.100 -0.260 0.000 0.860 242 G HN 0.608 nan 8.290 nan 0.000 0.504 243 N N 0.383 118.982 118.700 -0.168 0.000 2.407 243 N HA 0.532 5.258 4.740 -0.024 0.000 0.277 243 N C 1.139 176.535 175.510 -0.190 0.000 0.995 243 N CA 0.265 53.204 53.050 -0.184 0.000 0.903 243 N CB 1.878 40.273 38.487 -0.154 0.000 1.218 243 N HN 0.839 nan 8.380 nan 0.000 0.487 244 A N 3.486 126.151 122.820 -0.258 0.000 1.972 244 A HA -0.067 4.239 4.320 -0.024 0.000 0.219 244 A C 1.862 179.174 177.584 -0.452 0.000 1.169 244 A CA 1.866 53.690 52.037 -0.355 0.000 0.635 244 A CB -0.474 18.253 19.000 -0.455 0.000 0.810 244 A HN 0.724 nan 8.150 nan 0.000 0.446 245 A N -0.622 121.999 122.820 -0.331 0.000 2.168 245 A HA -0.028 4.278 4.320 -0.024 0.000 0.215 245 A C 1.806 179.341 177.584 -0.081 0.000 1.152 245 A CA 1.364 53.314 52.037 -0.145 0.000 0.716 245 A CB -0.251 18.768 19.000 0.032 0.000 0.794 245 A HN 0.672 nan 8.150 nan 0.000 0.465 246 E N -0.600 119.544 120.200 -0.093 0.000 2.132 246 E HA 0.054 4.389 4.350 -0.024 0.000 0.193 246 E C 1.609 178.186 176.600 -0.038 0.000 0.951 246 E CA 0.208 56.579 56.400 -0.048 0.000 0.843 246 E CB -0.065 29.611 29.700 -0.041 0.000 0.807 246 E HN 0.429 nan 8.360 nan 0.000 0.467 247 I N 1.735 122.274 120.570 -0.052 0.000 2.252 247 I HA -0.206 3.950 4.170 -0.024 0.000 0.245 247 I C 2.433 178.569 176.117 0.032 0.000 1.102 247 I CA 1.166 62.459 61.300 -0.012 0.000 1.385 247 I CB -0.821 37.167 38.000 -0.019 0.000 1.064 247 I HN 0.181 nan 8.210 nan 0.000 0.414 248 L N 0.655 121.889 121.223 0.019 0.000 2.017 248 L HA -0.149 4.177 4.340 -0.024 0.000 0.208 248 L C 0.012 176.930 176.870 0.079 0.000 1.073 248 L CA 1.991 56.916 54.840 0.142 0.000 0.745 248 L CB -2.344 39.823 42.059 0.180 0.000 0.894 248 L HN 0.169 nan 8.230 nan 0.000 0.432 249 P HA -0.192 nan 4.420 nan 0.000 0.215 249 P C 1.376 178.657 177.300 -0.032 0.000 1.153 249 P CA 1.196 64.272 63.100 -0.040 0.000 0.853 249 P CB 0.115 31.802 31.700 -0.022 0.000 0.788 250 E N -0.043 120.158 120.200 0.002 0.000 2.077 250 E HA -0.158 4.178 4.350 -0.024 0.000 0.193 250 E C 1.875 178.498 176.600 0.038 0.000 0.989 250 E CA 1.252 57.660 56.400 0.014 0.000 0.800 250 E CB -1.237 28.474 29.700 0.019 0.000 0.746 250 E HN 0.119 nan 8.360 nan 0.000 0.452 251 L N -0.502 120.778 121.223 0.095 0.000 2.046 251 L HA -0.156 4.170 4.340 -0.024 0.000 0.208 251 L C 2.464 179.411 176.870 0.129 0.000 1.077 251 L CA 0.875 55.822 54.840 0.179 0.000 0.747 251 L CB -0.492 41.775 42.059 0.347 0.000 0.896 251 L HN 0.085 nan 8.230 nan 0.000 0.432 252 V N 0.043 119.918 119.914 -0.064 0.000 2.282 252 V HA -0.352 3.754 4.120 -0.024 0.000 0.249 252 V C 2.554 178.584 176.094 -0.106 0.000 1.057 252 V CA 1.882 64.013 62.300 -0.282 0.000 1.032 252 V CB -0.534 30.996 31.823 -0.488 0.000 0.645 252 V HN 0.418 nan 8.190 nan 0.000 0.447 253 K N -0.377 119.986 120.400 -0.062 0.000 2.097 253 K HA -0.124 4.182 4.320 -0.024 0.000 0.206 253 K C 2.189 178.788 176.600 -0.003 0.000 1.049 253 K CA 1.263 57.531 56.287 -0.030 0.000 0.933 253 K CB -0.161 32.327 32.500 -0.020 0.000 0.717 253 K HN 0.428 nan 8.250 nan 0.000 0.442 254 R N -0.542 119.970 120.500 0.020 0.000 2.313 254 R HA 0.017 4.343 4.340 -0.024 0.000 0.199 254 R C 0.939 177.269 176.300 0.048 0.000 0.958 254 R CA 0.551 56.672 56.100 0.035 0.000 1.047 254 R CB 0.248 30.577 30.300 0.050 0.000 0.955 254 R HN 0.327 nan 8.270 nan 0.000 0.481 255 G N 1.219 110.049 108.800 0.050 0.000 2.179 255 G HA2 -0.260 3.686 3.960 -0.024 0.000 0.257 255 G HA3 -0.260 3.686 3.960 -0.024 0.000 0.257 255 G C 0.188 175.160 174.900 0.120 0.000 1.010 255 G CA 0.110 45.249 45.100 0.066 0.000 0.736 255 G HN 0.156 nan 8.290 nan 0.000 0.513 256 V N 0.202 120.221 119.914 0.175 0.000 2.637 256 V HA 0.379 4.485 4.120 -0.024 0.000 0.296 256 V C 1.096 177.359 176.094 0.283 0.000 1.046 256 V CA 0.197 62.641 62.300 0.240 0.000 1.066 256 V CB 1.460 33.452 31.823 0.282 0.000 0.968 256 V HN 0.424 nan 8.190 nan 0.000 0.483 257 R N 5.614 126.241 120.500 0.212 0.000 2.352 257 R HA 0.397 4.722 4.340 -0.024 0.000 0.304 257 R C -2.649 173.570 176.300 -0.135 0.000 1.104 257 R CA -1.621 54.528 56.100 0.081 0.000 0.991 257 R CB 1.398 31.748 30.300 0.083 0.000 1.140 257 R HN 0.513 nan 8.270 nan 0.000 0.540 258 P HA 0.097 nan 4.420 nan 0.000 0.273 258 P C -0.315 176.482 177.300 -0.838 0.000 1.250 258 P CA -0.315 61.931 63.100 -1.423 0.000 0.793 258 P CB 0.890 31.607 31.700 -1.639 0.000 1.011 259 D N -0.424 119.449 120.400 -0.878 0.000 2.305 259 D HA 0.097 4.723 4.640 -0.024 0.000 0.206 259 D C 0.601 176.763 176.300 -0.229 0.000 0.974 259 D CA 1.371 55.117 54.000 -0.424 0.000 0.871 259 D CB 0.305 40.782 40.800 -0.539 0.000 0.947 259 D HN 0.316 nan 8.370 nan 0.000 0.516 260 M N 0.259 119.625 119.600 -0.390 0.000 2.470 260 M HA 0.298 4.763 4.480 -0.024 0.000 0.285 260 M C -1.678 174.370 176.300 -0.420 0.000 1.213 260 M CA -0.623 54.532 55.300 -0.240 0.000 0.901 260 M CB 3.876 36.441 32.600 -0.058 0.000 1.718 260 M HN -0.423 nan 8.290 nan 0.000 0.469 261 V N 0.869 120.542 119.914 -0.402 0.000 2.577 261 V HA 0.792 4.897 4.120 -0.024 0.000 0.303 261 V C -0.411 175.337 176.094 -0.576 0.000 1.042 261 V CA -0.356 61.645 62.300 -0.498 0.000 0.872 261 V CB 2.019 33.508 31.823 -0.558 0.000 0.998 261 V HN 0.976 nan 8.190 nan 0.000 0.423 262 T N 2.632 116.882 114.554 -0.507 0.000 2.618 262 T HA 0.627 4.963 4.350 -0.024 0.000 0.293 262 T C -2.192 172.388 174.700 -0.200 0.000 1.093 262 T CA -0.329 61.440 62.100 -0.553 0.000 1.061 262 T CB 2.113 70.364 68.868 -1.028 0.000 1.498 262 T HN 0.845 nan 8.240 nan 0.000 0.494 263 D N -0.157 120.200 120.400 -0.071 0.000 2.736 263 D HA 0.432 5.058 4.640 -0.024 0.000 0.223 263 D C -1.144 175.249 176.300 0.155 0.000 1.231 263 D CA -0.236 53.810 54.000 0.077 0.000 0.818 263 D CB 1.847 42.689 40.800 0.070 0.000 1.587 263 D HN 0.390 nan 8.370 nan 0.000 0.463 264 Q N 2.071 121.983 119.800 0.187 0.000 2.141 264 Q HA 0.198 4.524 4.340 -0.024 0.000 0.295 264 Q C -0.558 175.568 176.000 0.209 0.000 0.870 264 Q CA -0.383 55.548 55.803 0.213 0.000 1.096 264 Q CB 0.632 29.521 28.738 0.251 0.000 1.288 264 Q HN 0.719 nan 8.270 nan 0.000 0.418 265 T N -2.563 112.131 114.554 0.232 0.000 2.734 265 T HA 0.145 4.481 4.350 -0.024 0.000 0.314 265 T C 0.753 175.633 174.700 0.299 0.000 1.057 265 T CA -0.299 61.949 62.100 0.247 0.000 1.047 265 T CB 1.209 70.260 68.868 0.305 0.000 0.991 265 T HN 0.031 nan 8.240 nan 0.000 0.540 266 S N 0.993 116.877 115.700 0.306 0.000 3.324 266 S HA 0.377 4.833 4.470 -0.024 0.000 0.229 266 S C 1.736 176.434 174.600 0.163 0.000 1.417 266 S CA -0.229 58.167 58.200 0.326 0.000 1.211 266 S CB -1.051 62.326 63.200 0.295 0.000 1.157 266 S HN 0.826 nan 8.310 nan 0.000 0.491 267 A N 1.817 124.785 122.820 0.247 0.000 2.125 267 A HA -0.156 4.150 4.320 -0.024 0.000 0.219 267 A C 1.874 179.449 177.584 -0.015 0.000 1.156 267 A CA 1.220 53.300 52.037 0.073 0.000 0.671 267 A CB -0.670 18.334 19.000 0.007 0.000 0.794 267 A HN 0.880 nan 8.150 nan 0.000 0.459 268 H N -1.719 117.402 119.070 0.085 0.000 2.521 268 H HA -0.014 4.527 4.556 -0.025 0.000 0.286 268 H C -0.554 174.877 175.328 0.172 0.000 1.034 268 H CA 1.266 57.393 56.048 0.132 0.000 1.278 268 H CB -0.013 29.872 29.762 0.205 0.000 1.386 268 H HN 0.394 nan 8.280 nan 0.000 0.567 269 D N 0.771 120.781 120.400 -0.650 0.000 2.405 269 D HA 0.221 4.846 4.640 -0.024 0.000 0.264 269 D C -2.088 173.890 176.300 -0.536 0.000 1.240 269 D CA -2.370 51.112 54.000 -0.862 0.000 0.893 269 D CB 1.427 41.494 40.800 -1.221 0.000 1.198 269 D HN -0.047 nan 8.370 nan 0.000 0.514 270 P HA -0.139 nan 4.420 nan 0.000 0.217 270 P C 1.542 178.790 177.300 -0.087 0.000 1.148 270 P CA 0.410 63.415 63.100 -0.160 0.000 0.828 270 P CB 0.389 32.015 31.700 -0.123 0.000 0.783 271 L N -1.061 120.024 121.223 -0.230 0.000 2.093 271 L HA -0.034 4.291 4.340 -0.024 0.000 0.208 271 L C 1.474 178.171 176.870 -0.288 0.000 1.085 271 L CA 2.025 56.740 54.840 -0.208 0.000 0.755 271 L CB -0.731 41.175 42.059 -0.254 0.000 0.904 271 L HN -0.079 nan 8.230 nan 0.000 0.435 272 N N -1.602 116.933 118.700 -0.276 0.000 2.382 272 N HA 0.164 4.890 4.740 -0.024 0.000 0.200 272 N C 1.444 176.981 175.510 0.045 0.000 1.122 272 N CA 0.919 53.823 53.050 -0.242 0.000 0.870 272 N CB 0.395 38.729 38.487 -0.254 0.000 1.176 272 N HN 0.369 nan 8.380 nan 0.000 0.474 273 G N -0.521 108.328 108.800 0.083 0.000 3.192 273 G HA2 0.024 3.970 3.960 -0.024 0.000 0.239 273 G HA3 0.024 3.970 3.960 -0.024 0.000 0.239 273 G C -0.700 174.384 174.900 0.306 0.000 1.084 273 G CA 0.126 45.343 45.100 0.195 0.000 0.784 273 G HN -0.171 nan 8.290 nan 0.000 0.540 274 Y N 0.451 120.798 120.300 0.080 0.000 2.315 274 Y HA 0.302 4.839 4.550 -0.022 0.000 0.324 274 Y C -0.786 174.772 175.900 -0.571 0.000 1.062 274 Y CA -0.788 57.249 58.100 -0.105 0.000 1.159 274 Y CB 1.038 39.437 38.460 -0.102 0.000 1.145 274 Y HN -0.685 nan 8.280 nan 0.000 0.442 275 L N 9.408 130.185 121.223 -0.743 0.000 2.433 275 L HA 0.439 4.765 4.340 -0.024 0.000 0.275 275 L C -2.458 174.013 176.870 -0.665 0.000 1.128 275 L CA -1.781 52.526 54.840 -0.889 0.000 0.875 275 L CB 0.139 41.996 42.059 -0.335 0.000 1.171 275 L HN 0.420 nan 8.230 nan 0.000 0.463 276 P HA 0.115 nan 4.420 nan 0.000 0.269 276 P C -0.945 176.086 177.300 -0.448 0.000 1.209 276 P CA -0.252 62.413 63.100 -0.726 0.000 0.776 276 P CB 0.497 31.261 31.700 -1.559 0.000 0.876 277 A N 2.923 125.611 122.820 -0.221 0.000 2.567 277 A HA 0.382 4.687 4.320 -0.024 0.000 0.240 277 A C 1.586 179.217 177.584 0.078 0.000 1.053 277 A CA 0.922 52.921 52.037 -0.063 0.000 0.755 277 A CB -1.511 17.475 19.000 -0.024 0.000 0.978 277 A HN 0.886 nan 8.150 nan 0.000 0.507 278 G N 0.941 109.818 108.800 0.128 0.000 2.195 278 G HA2 -0.227 3.719 3.960 -0.024 0.000 0.246 278 G HA3 -0.227 3.719 3.960 -0.024 0.000 0.246 278 G C -0.121 174.977 174.900 0.330 0.000 0.984 278 G CA 0.327 45.556 45.100 0.216 0.000 0.633 278 G HN 0.785 nan 8.290 nan 0.000 0.525 279 W N 1.982 123.268 121.300 -0.023 0.000 2.449 279 W HA 0.664 5.309 4.660 -0.025 0.000 0.331 279 W C 1.060 177.590 176.519 0.018 0.000 1.119 279 W CA -0.250 57.091 57.345 -0.008 0.000 1.240 279 W CB 0.610 30.050 29.460 -0.033 0.000 1.251 279 W HN 0.393 nan 8.180 nan 0.000 0.576 280 T N -1.054 113.646 114.554 0.244 0.000 2.882 280 T HA 0.009 4.345 4.350 -0.024 0.000 0.287 280 T C 0.842 175.735 174.700 0.320 0.000 1.014 280 T CA -0.558 61.685 62.100 0.238 0.000 1.049 280 T CB 1.122 70.094 68.868 0.172 0.000 1.001 280 T HN 0.625 nan 8.240 nan 0.000 0.525 281 W N 1.229 122.630 121.300 0.169 0.000 2.350 281 W HA -0.147 4.503 4.660 -0.015 0.000 0.289 281 W C 1.305 177.959 176.519 0.226 0.000 1.215 281 W CA 1.646 59.126 57.345 0.225 0.000 1.236 281 W CB -0.078 29.483 29.460 0.168 0.000 1.130 281 W HN 0.856 nan 8.180 nan 0.000 0.541 282 E N -0.029 120.330 120.200 0.266 0.000 2.072 282 E HA -0.215 4.120 4.350 -0.024 0.000 0.190 282 E C 2.108 178.742 176.600 0.057 0.000 0.982 282 E CA 1.468 57.952 56.400 0.141 0.000 0.803 282 E CB -0.735 29.043 29.700 0.131 0.000 0.755 282 E HN 0.355 nan 8.360 nan 0.000 0.453 283 Q N -0.711 119.132 119.800 0.072 0.000 2.119 283 Q HA -0.150 4.176 4.340 -0.024 0.000 0.201 283 Q C 1.872 177.922 176.000 0.083 0.000 0.972 283 Q CA 1.296 57.097 55.803 -0.004 0.000 0.847 283 Q CB -0.205 28.472 28.738 -0.102 0.000 0.903 283 Q HN 0.453 nan 8.270 nan 0.000 0.433 284 Y N 1.094 121.428 120.300 0.056 0.000 2.145 284 Y HA -0.221 4.315 4.550 -0.025 0.000 0.286 284 Y C 2.260 178.088 175.900 -0.120 0.000 1.145 284 Y CA 1.186 59.337 58.100 0.085 0.000 1.148 284 Y CB 0.212 38.551 38.460 -0.201 0.000 0.981 284 Y HN -0.048 nan 8.280 nan 0.000 0.507 285 R N 0.173 120.458 120.500 -0.358 0.000 2.092 285 R HA -0.146 4.180 4.340 -0.024 0.000 0.231 285 R C 1.614 177.799 176.300 -0.191 0.000 1.119 285 R CA 1.505 57.379 56.100 -0.376 0.000 0.970 285 R CB -0.368 29.782 30.300 -0.250 0.000 0.864 285 R HN 0.462 nan 8.270 nan 0.000 0.440 286 D N 0.316 120.653 120.400 -0.105 0.000 2.117 286 D HA -0.087 4.539 4.640 -0.024 0.000 0.198 286 D C 1.950 178.209 176.300 -0.068 0.000 0.982 286 D CA 1.114 55.071 54.000 -0.071 0.000 0.828 286 D CB -0.069 40.699 40.800 -0.053 0.000 0.967 286 D HN 0.127 nan 8.370 nan 0.000 0.464 287 R N 0.477 120.945 120.500 -0.053 0.000 2.148 287 R HA 0.099 4.425 4.340 -0.024 0.000 0.223 287 R C 2.155 178.451 176.300 -0.007 0.000 1.088 287 R CA 0.806 56.897 56.100 -0.015 0.000 0.985 287 R CB -0.071 30.244 30.300 0.024 0.000 0.880 287 R HN 0.054 nan 8.270 nan 0.000 0.451 288 A N 1.630 124.399 122.820 -0.085 0.000 1.972 288 A HA -0.248 4.057 4.320 -0.024 0.000 0.219 288 A C 2.103 179.635 177.584 -0.087 0.000 1.169 288 A CA 1.557 53.512 52.037 -0.137 0.000 0.635 288 A CB -0.370 18.431 19.000 -0.332 0.000 0.810 288 A HN 0.510 nan 8.150 nan 0.000 0.446 289 Q N -1.982 117.774 119.800 -0.075 0.000 2.269 289 Q HA -0.022 4.304 4.340 -0.024 0.000 0.201 289 Q C 1.574 177.560 176.000 -0.023 0.000 0.946 289 Q CA 1.704 57.480 55.803 -0.044 0.000 0.877 289 Q CB -0.438 28.275 28.738 -0.041 0.000 0.963 289 Q HN 0.355 nan 8.270 nan 0.000 0.472 290 T N 1.141 115.682 114.554 -0.021 0.000 2.983 290 T HA -0.025 4.311 4.350 -0.024 0.000 0.250 290 T C 0.080 174.782 174.700 0.003 0.000 1.037 290 T CA 1.074 63.167 62.100 -0.011 0.000 1.142 290 T CB 0.159 69.016 68.868 -0.019 0.000 0.876 290 T HN 0.643 nan 8.240 nan 0.000 0.455 291 E N 0.803 121.012 120.200 0.014 0.000 3.909 291 E HA 0.219 4.555 4.350 -0.024 0.000 0.236 291 E C -2.414 174.216 176.600 0.050 0.000 1.222 291 E CA -1.466 54.955 56.400 0.035 0.000 1.205 291 E CB 1.207 30.934 29.700 0.044 0.000 1.249 291 E HN 0.141 nan 8.360 nan 0.000 0.411 292 P HA -0.247 nan 4.420 nan 0.000 0.215 292 P C 1.410 178.736 177.300 0.043 0.000 1.153 292 P CA 1.790 64.904 63.100 0.024 0.000 0.853 292 P CB 0.273 31.981 31.700 0.012 0.000 0.788 293 A N 0.634 123.484 122.820 0.050 0.000 1.908 293 A HA -0.096 4.210 4.320 -0.024 0.000 0.218 293 A C 2.512 180.135 177.584 0.064 0.000 1.181 293 A CA 2.347 54.417 52.037 0.055 0.000 0.627 293 A CB -1.547 17.485 19.000 0.053 0.000 0.818 293 A HN 0.249 nan 8.150 nan 0.000 0.445 294 A N -0.708 122.161 122.820 0.083 0.000 1.930 294 A HA 0.067 4.372 4.320 -0.024 0.000 0.217 294 A C 2.205 179.882 177.584 0.155 0.000 1.175 294 A CA 1.613 53.720 52.037 0.116 0.000 0.627 294 A CB -0.775 18.306 19.000 0.135 0.000 0.815 294 A HN 0.365 nan 8.150 nan 0.000 0.443 295 V N -0.393 119.623 119.914 0.170 0.000 2.295 295 V HA -0.221 3.884 4.120 -0.024 0.000 0.246 295 V C 2.584 178.700 176.094 0.037 0.000 1.049 295 V CA 1.911 64.316 62.300 0.174 0.000 1.024 295 V CB -0.761 31.176 31.823 0.190 0.000 0.648 295 V HN 0.480 nan 8.190 nan 0.000 0.447 296 V N 0.062 119.993 119.914 0.028 0.000 2.332 296 V HA -0.240 3.866 4.120 -0.024 0.000 0.248 296 V C 2.590 178.669 176.094 -0.024 0.000 1.055 296 V CA 2.054 64.350 62.300 -0.008 0.000 1.038 296 V CB -0.500 31.325 31.823 0.003 0.000 0.651 296 V HN 0.444 nan 8.190 nan 0.000 0.450 297 K N 0.987 121.389 120.400 0.003 0.000 2.097 297 K HA 0.101 4.407 4.320 -0.024 0.000 0.205 297 K C 2.352 178.929 176.600 -0.039 0.000 1.050 297 K CA 1.651 57.936 56.287 -0.004 0.000 0.938 297 K CB -1.336 31.179 32.500 0.026 0.000 0.718 297 K HN 0.615 nan 8.250 nan 0.000 0.442 298 A N 1.350 124.135 122.820 -0.058 0.000 1.902 298 A HA -0.071 4.235 4.320 -0.024 0.000 0.217 298 A C 2.406 179.837 177.584 -0.256 0.000 1.181 298 A CA 2.118 54.059 52.037 -0.159 0.000 0.623 298 A CB -0.673 18.154 19.000 -0.288 0.000 0.818 298 A HN 0.280 nan 8.150 nan 0.000 0.443 299 A N -0.118 122.550 122.820 -0.255 0.000 1.873 299 A HA -0.146 4.160 4.320 -0.024 0.000 0.215 299 A C 2.109 179.560 177.584 -0.222 0.000 1.186 299 A CA 1.782 53.695 52.037 -0.205 0.000 0.616 299 A CB -0.426 18.499 19.000 -0.125 0.000 0.823 299 A HN 0.534 nan 8.150 nan 0.000 0.442 300 K N -0.521 119.770 120.400 -0.182 0.000 2.148 300 K HA -0.137 4.169 4.320 -0.024 0.000 0.204 300 K C 2.291 178.807 176.600 -0.139 0.000 1.050 300 K CA 1.436 57.614 56.287 -0.181 0.000 0.942 300 K CB -0.171 32.266 32.500 -0.105 0.000 0.724 300 K HN 0.595 nan 8.250 nan 0.000 0.446 301 Q N 0.194 119.936 119.800 -0.098 0.000 2.084 301 Q HA -0.110 4.216 4.340 -0.024 0.000 0.202 301 Q C 2.181 178.151 176.000 -0.051 0.000 0.978 301 Q CA 1.486 57.253 55.803 -0.060 0.000 0.844 301 Q CB 0.034 28.750 28.738 -0.037 0.000 0.898 301 Q HN 0.183 nan 8.270 nan 0.000 0.426 302 S N 0.485 116.149 115.700 -0.059 0.000 2.368 302 S HA -0.108 4.348 4.470 -0.024 0.000 0.224 302 S C 1.885 176.511 174.600 0.043 0.000 1.029 302 S CA 1.034 59.247 58.200 0.020 0.000 0.988 302 S CB -0.113 63.132 63.200 0.074 0.000 0.838 302 S HN 0.324 nan 8.310 nan 0.000 0.462 303 M N 1.066 120.557 119.600 -0.182 0.000 2.202 303 M HA -0.149 4.317 4.480 -0.024 0.000 0.262 303 M C 2.397 178.644 176.300 -0.087 0.000 1.063 303 M CA 1.422 56.559 55.300 -0.272 0.000 1.097 303 M CB -0.525 31.765 32.600 -0.517 0.000 1.382 303 M HN 0.407 nan 8.290 nan 0.000 0.413 304 A N -0.278 122.501 122.820 -0.068 0.000 1.898 304 A HA -0.088 4.218 4.320 -0.024 0.000 0.216 304 A C 2.206 179.801 177.584 0.019 0.000 1.181 304 A CA 1.499 53.517 52.037 -0.031 0.000 0.620 304 A CB -0.865 18.116 19.000 -0.030 0.000 0.819 304 A HN 0.296 nan 8.150 nan 0.000 0.442 305 V N -0.486 119.452 119.914 0.040 0.000 2.358 305 V HA -0.287 3.819 4.120 -0.024 0.000 0.246 305 V C 2.397 178.563 176.094 0.119 0.000 1.047 305 V CA 2.246 64.581 62.300 0.058 0.000 1.035 305 V CB -1.077 30.773 31.823 0.044 0.000 0.658 305 V HN 0.835 nan 8.190 nan 0.000 0.452 306 H N -0.310 118.781 119.070 0.035 0.000 2.290 306 H HA -0.162 4.379 4.556 -0.024 0.000 0.298 306 H C 2.262 177.630 175.328 0.067 0.000 1.087 306 H CA 1.866 57.956 56.048 0.070 0.000 1.291 306 H CB 0.190 30.031 29.762 0.132 0.000 1.369 306 H HN 0.241 nan 8.280 nan 0.000 0.492 307 V N 0.804 120.778 119.914 0.099 0.000 2.407 307 V HA -0.232 3.874 4.120 -0.024 0.000 0.248 307 V C 2.479 178.647 176.094 0.124 0.000 1.055 307 V CA 1.953 64.300 62.300 0.078 0.000 1.049 307 V CB -0.564 31.263 31.823 0.007 0.000 0.662 307 V HN 0.416 nan 8.190 nan 0.000 0.455 308 Q N 0.730 120.577 119.800 0.078 0.000 2.124 308 Q HA -0.140 4.185 4.340 -0.024 0.000 0.202 308 Q C 2.127 178.137 176.000 0.017 0.000 0.977 308 Q CA 2.100 57.932 55.803 0.049 0.000 0.850 308 Q CB -0.577 28.174 28.738 0.022 0.000 0.901 308 Q HN 0.602 nan 8.270 nan 0.000 0.429 309 A N -0.052 122.780 122.820 0.020 0.000 1.902 309 A HA -0.174 4.132 4.320 -0.024 0.000 0.217 309 A C 2.087 179.638 177.584 -0.056 0.000 1.181 309 A CA 1.721 53.706 52.037 -0.086 0.000 0.623 309 A CB -0.553 18.437 19.000 -0.017 0.000 0.818 309 A HN 0.510 nan 8.150 nan 0.000 0.443 310 M N -0.628 119.039 119.600 0.112 0.000 2.159 310 M HA -0.108 4.357 4.480 -0.024 0.000 0.263 310 M C 2.075 178.368 176.300 -0.011 0.000 1.063 310 M CA 1.330 56.664 55.300 0.056 0.000 1.110 310 M CB -0.550 31.921 32.600 -0.217 0.000 1.374 310 M HN 0.345 nan 8.290 nan 0.000 0.411 311 L N -0.054 121.222 121.223 0.088 0.000 2.093 311 L HA -0.224 4.102 4.340 -0.024 0.000 0.208 311 L C 1.977 178.871 176.870 0.040 0.000 1.085 311 L CA 0.963 55.883 54.840 0.134 0.000 0.755 311 L CB -0.715 41.437 42.059 0.155 0.000 0.904 311 L HN 0.264 nan 8.230 nan 0.000 0.435 312 D N -0.306 120.065 120.400 -0.050 0.000 2.144 312 D HA -0.167 4.458 4.640 -0.024 0.000 0.199 312 D C 2.069 178.289 176.300 -0.133 0.000 0.984 312 D CA 1.280 55.202 54.000 -0.130 0.000 0.834 312 D CB -0.172 40.481 40.800 -0.244 0.000 0.955 312 D HN 0.142 nan 8.370 nan 0.000 0.465 313 F N 1.117 121.036 119.950 -0.052 0.000 2.102 313 F HA -0.128 4.386 4.527 -0.022 0.000 0.298 313 F C 2.631 178.385 175.800 -0.076 0.000 1.105 313 F CA 0.986 58.937 58.000 -0.082 0.000 1.239 313 F CB -0.797 38.122 39.000 -0.136 0.000 0.991 313 F HN -0.027 nan 8.300 nan 0.000 0.474 314 Q N 0.622 120.488 119.800 0.110 0.000 2.135 314 Q HA -0.233 4.093 4.340 -0.024 0.000 0.204 314 Q C 2.011 178.046 176.000 0.060 0.000 0.981 314 Q CA 1.661 57.500 55.803 0.060 0.000 0.856 314 Q CB -0.111 28.670 28.738 0.071 0.000 0.902 314 Q HN 0.372 nan 8.270 nan 0.000 0.425 315 K N -0.316 120.115 120.400 0.051 0.000 2.211 315 K HA -0.100 4.205 4.320 -0.024 0.000 0.203 315 K C 1.741 178.361 176.600 0.034 0.000 1.050 315 K CA 0.828 57.138 56.287 0.038 0.000 0.945 315 K CB 0.189 32.702 32.500 0.021 0.000 0.732 315 K HN 0.262 nan 8.250 nan 0.000 0.451 316 Q N -0.506 119.319 119.800 0.042 0.000 2.415 316 Q HA 0.033 4.359 4.340 -0.024 0.000 0.206 316 Q C 0.879 176.906 176.000 0.044 0.000 0.946 316 Q CA 0.773 56.604 55.803 0.047 0.000 0.951 316 Q CB 0.983 29.762 28.738 0.067 0.000 1.026 316 Q HN 0.548 nan 8.270 nan 0.000 0.510 317 G N 0.191 109.012 108.800 0.036 0.000 2.157 317 G HA2 -0.238 3.708 3.960 -0.024 0.000 0.239 317 G HA3 -0.238 3.708 3.960 -0.024 0.000 0.239 317 G C 0.145 175.039 174.900 -0.010 0.000 0.982 317 G CA 0.104 45.215 45.100 0.018 0.000 0.650 317 G HN 0.227 nan 8.290 nan 0.000 0.527 318 V N 1.968 121.878 119.914 -0.006 0.000 2.455 318 V HA 0.359 4.465 4.120 -0.024 0.000 0.273 318 V C -1.486 174.546 176.094 -0.103 0.000 1.045 318 V CA -1.326 60.937 62.300 -0.062 0.000 0.976 318 V CB 1.231 33.004 31.823 -0.083 0.000 0.993 318 V HN 0.120 nan 8.190 nan 0.000 0.475 319 P HA 0.121 nan 4.420 nan 0.000 0.258 319 P C -0.362 176.924 177.300 -0.024 0.000 1.187 319 P CA 0.576 63.556 63.100 -0.200 0.000 0.767 319 P CB 0.170 31.571 31.700 -0.498 0.000 0.770 320 T N 4.512 119.091 114.554 0.042 0.000 2.886 320 T HA 0.742 5.078 4.350 -0.024 0.000 0.292 320 T C -0.610 174.165 174.700 0.124 0.000 1.012 320 T CA -0.318 61.708 62.100 -0.122 0.000 0.982 320 T CB 0.630 69.293 68.868 -0.341 0.000 1.018 320 T HN 0.258 nan 8.240 nan 0.000 0.451 321 F N -0.312 119.636 119.950 -0.003 0.000 2.668 321 F HA 0.648 5.160 4.527 -0.026 0.000 0.309 321 F C -1.191 174.829 175.800 0.367 0.000 1.117 321 F CA -1.293 56.894 58.000 0.311 0.000 0.951 321 F CB 1.148 40.398 39.000 0.417 0.000 1.323 321 F HN 0.368 nan 8.300 nan 0.000 0.451 322 D N 1.236 122.062 120.400 0.711 0.000 2.277 322 D HA 0.084 4.709 4.640 -0.024 0.000 0.249 322 D C -1.144 175.550 176.300 0.656 0.000 1.134 322 D CA 0.014 54.337 54.000 0.538 0.000 0.863 322 D CB 1.033 42.059 40.800 0.377 0.000 1.143 322 D HN 0.813 nan 8.370 nan 0.000 0.458 323 Y N 2.586 123.059 120.300 0.288 0.000 2.811 323 Y HA 0.297 4.833 4.550 -0.024 0.000 0.330 323 Y C 1.149 177.143 175.900 0.157 0.000 1.081 323 Y CA 0.178 58.376 58.100 0.163 0.000 1.408 323 Y CB -0.044 38.410 38.460 -0.010 0.000 1.235 323 Y HN 0.725 nan 8.280 nan 0.000 0.529 324 G N 1.760 110.689 108.800 0.215 0.000 2.165 324 G HA2 -0.332 3.614 3.960 -0.024 0.000 0.226 324 G HA3 -0.332 3.614 3.960 -0.024 0.000 0.226 324 G C 0.138 175.107 174.900 0.114 0.000 1.035 324 G CA 0.398 45.613 45.100 0.192 0.000 0.744 324 G HN 0.609 nan 8.290 nan 0.000 0.501 325 N N -0.125 118.652 118.700 0.128 0.000 2.200 325 N HA 0.155 4.881 4.740 -0.024 0.000 0.224 325 N C 0.742 176.328 175.510 0.127 0.000 1.179 325 N CA -0.035 53.110 53.050 0.158 0.000 0.877 325 N CB -0.077 38.528 38.487 0.196 0.000 1.072 325 N HN 0.293 nan 8.380 nan 0.000 0.519 326 N N 0.057 118.789 118.700 0.054 0.000 2.800 326 N HA -0.195 4.530 4.740 -0.024 0.000 0.250 326 N C 0.383 175.821 175.510 -0.121 0.000 1.078 326 N CA 0.713 53.727 53.050 -0.059 0.000 0.804 326 N CB -1.724 36.681 38.487 -0.135 0.000 1.135 326 N HN 0.586 nan 8.380 nan 0.000 0.565 327 I N -0.129 120.383 120.570 -0.096 0.000 2.394 327 I HA -0.207 3.948 4.170 -0.024 0.000 0.251 327 I C 2.126 178.092 176.117 -0.252 0.000 1.136 327 I CA 1.150 62.352 61.300 -0.164 0.000 1.425 327 I CB 0.026 37.941 38.000 -0.142 0.000 1.079 327 I HN 0.238 nan 8.210 nan 0.000 0.425 328 R N -0.027 120.248 120.500 -0.374 0.000 2.081 328 R HA -0.239 4.086 4.340 -0.024 0.000 0.235 328 R C 2.271 178.263 176.300 -0.512 0.000 1.131 328 R CA 1.668 57.362 56.100 -0.678 0.000 0.960 328 R CB -0.410 29.050 30.300 -1.400 0.000 0.856 328 R HN 0.350 nan 8.270 nan 0.000 0.436 329 Q N 0.506 120.134 119.800 -0.287 0.000 2.084 329 Q HA -0.127 4.198 4.340 -0.024 0.000 0.202 329 Q C 1.972 177.944 176.000 -0.047 0.000 0.978 329 Q CA 1.681 57.494 55.803 0.016 0.000 0.844 329 Q CB 0.028 28.695 28.738 -0.118 0.000 0.898 329 Q HN 0.166 nan 8.270 nan 0.000 0.426 330 M N -0.421 119.101 119.600 -0.129 0.000 2.117 330 M HA -0.072 4.394 4.480 -0.024 0.000 0.262 330 M C 2.200 178.441 176.300 -0.098 0.000 1.065 330 M CA 1.685 56.920 55.300 -0.108 0.000 1.114 330 M CB -1.479 31.023 32.600 -0.163 0.000 1.361 330 M HN 0.376 nan 8.290 nan 0.000 0.408 331 A N 0.347 123.088 122.820 -0.132 0.000 1.902 331 A HA -0.202 4.104 4.320 -0.024 0.000 0.217 331 A C 2.335 179.890 177.584 -0.049 0.000 1.181 331 A CA 2.041 54.017 52.037 -0.101 0.000 0.623 331 A CB -0.692 18.234 19.000 -0.123 0.000 0.818 331 A HN 0.509 nan 8.150 nan 0.000 0.443 332 K N -0.071 120.312 120.400 -0.028 0.000 2.032 332 K HA -0.215 4.090 4.320 -0.024 0.000 0.209 332 K C 1.842 178.471 176.600 0.048 0.000 1.048 332 K CA 1.863 58.180 56.287 0.050 0.000 0.927 332 K CB -0.215 32.397 32.500 0.185 0.000 0.712 332 K HN 0.618 nan 8.250 nan 0.000 0.441 333 E N -0.050 120.176 120.200 0.044 0.000 2.204 333 E HA -0.165 4.170 4.350 -0.024 0.000 0.195 333 E C 1.101 177.713 176.600 0.021 0.000 0.990 333 E CA 0.821 57.246 56.400 0.042 0.000 0.821 333 E CB 0.135 29.866 29.700 0.052 0.000 0.750 333 E HN 0.214 nan 8.360 nan 0.000 0.477 334 E N -0.856 119.345 120.200 0.002 0.000 2.403 334 E HA 0.090 4.426 4.350 -0.024 0.000 0.188 334 E C 0.518 177.119 176.600 0.001 0.000 1.056 334 E CA 0.332 56.728 56.400 -0.005 0.000 0.892 334 E CB 0.471 30.155 29.700 -0.027 0.000 1.049 334 E HN 0.314 nan 8.360 nan 0.000 0.465 335 G N -0.675 108.131 108.800 0.010 0.000 2.179 335 G HA2 -0.237 3.708 3.960 -0.024 0.000 0.220 335 G HA3 -0.237 3.708 3.960 -0.024 0.000 0.220 335 G C 0.166 175.075 174.900 0.013 0.000 0.990 335 G CA 0.127 45.235 45.100 0.013 0.000 0.646 335 G HN 0.142 nan 8.290 nan 0.000 0.517 336 V N 1.904 121.823 119.914 0.008 0.000 2.276 336 V HA 0.518 4.624 4.120 -0.024 0.000 0.249 336 V C 1.743 177.850 176.094 0.022 0.000 1.160 336 V CA 0.751 63.055 62.300 0.007 0.000 1.042 336 V CB 0.192 32.009 31.823 -0.011 0.000 1.224 336 V HN 0.766 nan 8.190 nan 0.000 0.496 337 A N 4.396 127.234 122.820 0.031 0.000 2.015 337 A HA -0.116 4.190 4.320 -0.024 0.000 0.219 337 A C 1.730 179.351 177.584 0.062 0.000 1.163 337 A CA 1.587 53.651 52.037 0.046 0.000 0.646 337 A CB -0.251 18.770 19.000 0.035 0.000 0.806 337 A HN 0.823 nan 8.150 nan 0.000 0.448 338 N N -0.285 118.443 118.700 0.047 0.000 2.279 338 N HA 0.317 5.043 4.740 -0.024 0.000 0.226 338 N C 1.025 176.543 175.510 0.012 0.000 1.126 338 N CA 0.674 53.755 53.050 0.051 0.000 0.846 338 N CB -0.146 38.369 38.487 0.047 0.000 1.050 338 N HN 0.220 nan 8.380 nan 0.000 0.502 339 A N 0.432 123.233 122.820 -0.032 0.000 1.986 339 A HA -0.084 4.221 4.320 -0.024 0.000 0.220 339 A C 1.075 178.334 177.584 -0.542 0.000 1.171 339 A CA 0.887 52.773 52.037 -0.252 0.000 0.640 339 A CB -0.847 17.966 19.000 -0.312 0.000 0.811 339 A HN 0.289 nan 8.150 nan 0.000 0.451 340 F N 0.061 119.868 119.950 -0.239 0.000 2.664 340 F HA 0.102 4.615 4.527 -0.023 0.000 0.301 340 F C 1.057 176.748 175.800 -0.182 0.000 1.126 340 F CA -0.026 57.815 58.000 -0.265 0.000 1.373 340 F CB 0.146 39.058 39.000 -0.146 0.000 1.042 340 F HN 0.130 nan 8.300 nan 0.000 0.535 341 D N 0.319 120.702 120.400 -0.028 0.000 2.310 341 D HA -0.099 4.527 4.640 -0.024 0.000 0.212 341 D C 0.315 176.705 176.300 0.150 0.000 0.965 341 D CA 0.873 54.916 54.000 0.072 0.000 0.879 341 D CB -0.144 40.718 40.800 0.104 0.000 0.921 341 D HN 0.286 nan 8.370 nan 0.000 0.510 342 F N -0.613 119.376 119.950 0.064 0.000 2.480 342 F HA 0.656 5.169 4.527 -0.023 0.000 0.329 342 F C -2.727 173.135 175.800 0.104 0.000 1.091 342 F CA -2.804 55.244 58.000 0.081 0.000 0.972 342 F CB 1.262 40.307 39.000 0.075 0.000 1.150 342 F HN -0.314 nan 8.300 nan 0.000 0.467 343 P HA 0.322 nan 4.420 nan 0.000 0.281 343 P C -0.303 177.174 177.300 0.296 0.000 1.264 343 P CA -0.242 62.981 63.100 0.206 0.000 0.824 343 P CB 1.413 33.179 31.700 0.111 0.000 1.092 344 G N 0.162 109.089 108.800 0.211 0.000 2.503 344 G HA2 0.221 4.166 3.960 -0.024 0.000 0.257 344 G HA3 0.221 4.166 3.960 -0.024 0.000 0.257 344 G C 0.702 175.723 174.900 0.201 0.000 1.214 344 G CA -0.690 44.572 45.100 0.270 0.000 0.839 344 G HN 0.552 nan 8.290 nan 0.000 0.559 345 F N 1.545 121.636 119.950 0.235 0.000 2.202 345 F HA -0.094 4.421 4.527 -0.020 0.000 0.301 345 F C 2.099 177.891 175.800 -0.014 0.000 1.082 345 F CA 1.180 59.257 58.000 0.129 0.000 1.313 345 F CB -0.490 38.722 39.000 0.354 0.000 1.024 345 F HN 0.296 nan 8.300 nan 0.000 0.495 346 V N 2.688 122.165 119.914 -0.728 0.000 2.255 346 V HA -0.080 4.026 4.120 -0.024 0.000 0.243 346 V C -0.220 175.671 176.094 -0.338 0.000 1.038 346 V CA 1.894 63.816 62.300 -0.629 0.000 1.008 346 V CB -1.332 30.106 31.823 -0.642 0.000 0.645 346 V HN 0.229 nan 8.190 nan 0.000 0.449 347 P HA -0.105 nan 4.420 nan 0.000 0.218 347 P C 1.608 178.774 177.300 -0.223 0.000 1.149 347 P CA 2.291 65.297 63.100 -0.157 0.000 0.817 347 P CB -0.241 31.414 31.700 -0.074 0.000 0.785 348 A N -1.532 121.076 122.820 -0.354 0.000 1.897 348 A HA -0.122 4.184 4.320 -0.024 0.000 0.215 348 A C 1.706 178.902 177.584 -0.648 0.000 1.181 348 A CA 1.382 53.026 52.037 -0.654 0.000 0.620 348 A CB -1.057 17.222 19.000 -1.202 0.000 0.821 348 A HN 0.145 nan 8.150 nan 0.000 0.443 349 Y N -2.436 117.777 120.300 -0.146 0.000 2.846 349 Y HA 0.335 4.871 4.550 -0.022 0.000 0.258 349 Y C 1.862 177.636 175.900 -0.211 0.000 1.077 349 Y CA -0.532 57.461 58.100 -0.179 0.000 1.270 349 Y CB 0.193 38.531 38.460 -0.203 0.000 1.476 349 Y HN 0.051 nan 8.280 nan 0.000 0.460 350 I N 0.421 120.916 120.570 -0.124 0.000 3.427 350 I HA 0.037 4.193 4.170 -0.024 0.000 0.288 350 I C 2.204 178.035 176.117 -0.477 0.000 1.249 350 I CA 0.645 61.779 61.300 -0.276 0.000 1.421 350 I CB -0.656 37.156 38.000 -0.314 0.000 1.086 350 I HN 0.200 nan 8.210 nan 0.000 0.448 351 R N 1.932 122.173 120.500 -0.431 0.000 2.103 351 R HA -0.166 4.160 4.340 -0.024 0.000 0.242 351 R C -0.583 175.497 176.300 -0.366 0.000 1.142 351 R CA 1.918 57.764 56.100 -0.423 0.000 0.960 351 R CB -0.983 29.122 30.300 -0.325 0.000 0.858 351 R HN 0.187 nan 8.270 nan 0.000 0.439 352 P HA -0.157 nan 4.420 nan 0.000 0.218 352 P C 0.891 178.099 177.300 -0.153 0.000 1.148 352 P CA 1.241 64.223 63.100 -0.196 0.000 0.822 352 P CB -0.012 31.609 31.700 -0.131 0.000 0.784 353 L N -2.566 118.577 121.223 -0.133 0.000 2.056 353 L HA -0.135 4.191 4.340 -0.024 0.000 0.207 353 L C 2.323 179.217 176.870 0.040 0.000 1.078 353 L CA 1.211 56.043 54.840 -0.013 0.000 0.749 353 L CB -0.980 41.141 42.059 0.103 0.000 0.901 353 L HN -0.076 nan 8.230 nan 0.000 0.433 354 F N -0.092 119.723 119.950 -0.225 0.000 2.202 354 F HA -0.216 4.296 4.527 -0.024 0.000 0.301 354 F C 2.643 178.097 175.800 -0.577 0.000 1.082 354 F CA 0.365 58.122 58.000 -0.405 0.000 1.313 354 F CB -1.548 37.136 39.000 -0.526 0.000 1.024 354 F HN 0.177 nan 8.300 nan 0.000 0.495 355 C N -0.200 118.883 119.300 -0.362 0.000 2.419 355 C HA -0.132 4.313 4.460 -0.024 0.000 0.283 355 C C 2.262 177.173 174.990 -0.132 0.000 1.373 355 C CA 0.665 59.506 59.018 -0.296 0.000 1.781 355 C CB -1.236 26.371 27.740 -0.221 0.000 1.886 355 C HN 0.322 nan 8.230 nan 0.000 0.520 356 R N -0.148 120.294 120.500 -0.097 0.000 2.468 356 R HA 0.255 4.581 4.340 -0.024 0.000 0.280 356 R C 1.450 177.709 176.300 -0.069 0.000 0.963 356 R CA 0.633 56.697 56.100 -0.061 0.000 1.083 356 R CB 0.112 30.390 30.300 -0.037 0.000 1.200 356 R HN 0.461 nan 8.270 nan 0.000 0.541 357 G N 1.062 109.806 108.800 -0.094 0.000 2.148 357 G HA2 -0.264 3.682 3.960 -0.024 0.000 0.254 357 G HA3 -0.264 3.682 3.960 -0.024 0.000 0.254 357 G C 0.243 175.071 174.900 -0.119 0.000 0.981 357 G CA 0.120 45.147 45.100 -0.121 0.000 0.670 357 G HN 0.153 nan 8.290 nan 0.000 0.528 358 V N 0.291 120.181 119.914 -0.040 0.000 2.583 358 V HA 0.748 4.854 4.120 -0.024 0.000 0.287 358 V C 1.034 177.058 176.094 -0.116 0.000 1.051 358 V CA 0.882 63.169 62.300 -0.020 0.000 1.010 358 V CB 1.138 33.036 31.823 0.125 0.000 0.988 358 V HN 1.345 nan 8.190 nan 0.000 0.478 359 G N 4.734 113.222 108.800 -0.521 0.000 2.428 359 G HA2 0.417 4.363 3.960 -0.024 0.000 0.304 359 G HA3 0.417 4.363 3.960 -0.024 0.000 0.304 359 G C -3.072 170.882 174.900 -1.576 0.000 1.303 359 G CA -0.513 43.842 45.100 -1.242 0.000 0.825 359 G HN 0.415 nan 8.290 nan 0.000 0.484 360 P HA 0.208 nan 4.420 nan 0.000 0.228 360 P C -0.253 176.966 177.300 -0.136 0.000 1.748 360 P CA -0.299 62.468 63.100 -0.557 0.000 0.909 360 P CB -0.611 31.059 31.700 -0.049 0.000 1.882 361 F N 3.251 123.043 119.950 -0.263 0.000 2.607 361 F HA 0.067 4.580 4.527 -0.023 0.000 0.374 361 F C 1.049 176.894 175.800 0.075 0.000 1.104 361 F CA 0.328 58.308 58.000 -0.033 0.000 1.296 361 F CB 0.517 39.533 39.000 0.026 0.000 1.085 361 F HN 0.206 nan 8.300 nan 0.000 0.584 362 R N 4.552 124.828 120.500 -0.374 0.000 2.716 362 R HA 0.659 4.984 4.340 -0.024 0.000 0.271 362 R C -2.288 173.900 176.300 -0.188 0.000 1.028 362 R CA -1.088 54.819 56.100 -0.322 0.000 0.883 362 R CB 1.311 31.492 30.300 -0.198 0.000 1.250 362 R HN 0.748 nan 8.270 nan 0.000 0.465 363 W N -0.261 120.925 121.300 -0.190 0.000 3.118 363 W HA 0.848 5.497 4.660 -0.019 0.000 0.328 363 W C -1.963 174.491 176.519 -0.109 0.000 1.239 363 W CA -0.952 56.298 57.345 -0.157 0.000 1.176 363 W CB 1.379 30.763 29.460 -0.127 0.000 1.433 363 W HN 0.860 nan 8.180 nan 0.000 0.562 364 A N 1.359 124.242 122.820 0.104 0.000 2.435 364 A HA 0.894 5.200 4.320 -0.024 0.000 0.304 364 A C -1.112 176.482 177.584 0.018 0.000 1.064 364 A CA -0.732 51.307 52.037 0.003 0.000 0.727 364 A CB 1.304 20.312 19.000 0.014 0.000 1.284 364 A HN 1.574 nan 8.150 nan 0.000 0.415 365 A N 1.896 124.675 122.820 -0.068 0.000 2.316 365 A HA 0.537 4.843 4.320 -0.024 0.000 0.311 365 A C 0.722 178.265 177.584 -0.069 0.000 1.339 365 A CA -0.459 51.521 52.037 -0.095 0.000 0.960 365 A CB -0.425 18.471 19.000 -0.173 0.000 1.152 365 A HN 0.899 nan 8.150 nan 0.000 0.547 366 L N 2.595 123.796 121.223 -0.037 0.000 2.275 366 L HA -0.171 4.154 4.340 -0.024 0.000 0.215 366 L C 2.799 179.695 176.870 0.042 0.000 1.119 366 L CA 1.512 56.375 54.840 0.038 0.000 0.790 366 L CB -0.394 41.721 42.059 0.094 0.000 0.919 366 L HN 0.911 nan 8.230 nan 0.000 0.443 367 S N -0.011 115.673 115.700 -0.027 0.000 2.402 367 S HA -0.164 4.292 4.470 -0.024 0.000 0.233 367 S C 1.777 176.371 174.600 -0.010 0.000 1.030 367 S CA 1.148 59.344 58.200 -0.006 0.000 1.003 367 S CB -0.504 62.663 63.200 -0.054 0.000 0.813 367 S HN 0.590 nan 8.310 nan 0.000 0.477 368 G N 0.326 109.095 108.800 -0.053 0.000 2.175 368 G HA2 -0.226 3.720 3.960 -0.024 0.000 0.244 368 G HA3 -0.226 3.720 3.960 -0.024 0.000 0.244 368 G C -0.199 174.630 174.900 -0.119 0.000 0.982 368 G CA 0.219 45.277 45.100 -0.070 0.000 0.641 368 G HN 0.602 nan 8.290 nan 0.000 0.527 369 E N 0.481 120.597 120.200 -0.140 0.000 2.167 369 E HA 0.564 4.900 4.350 -0.024 0.000 0.284 369 E C 1.597 178.027 176.600 -0.283 0.000 1.016 369 E CA 0.122 56.429 56.400 -0.154 0.000 0.817 369 E CB 1.059 30.695 29.700 -0.107 0.000 1.080 369 E HN 0.398 nan 8.360 nan 0.000 0.397 370 A N 4.106 126.743 122.820 -0.305 0.000 1.927 370 A HA -0.271 4.035 4.320 -0.024 0.000 0.220 370 A C 1.883 179.025 177.584 -0.737 0.000 1.185 370 A CA 1.848 53.574 52.037 -0.519 0.000 0.639 370 A CB -0.275 18.624 19.000 -0.168 0.000 0.820 370 A HN 0.783 nan 8.150 nan 0.000 0.451 371 E N -0.658 119.328 120.200 -0.356 0.000 2.204 371 E HA -0.213 4.122 4.350 -0.024 0.000 0.195 371 E C 1.171 177.684 176.600 -0.145 0.000 0.990 371 E CA 0.996 57.302 56.400 -0.156 0.000 0.821 371 E CB -0.098 29.614 29.700 0.021 0.000 0.750 371 E HN 0.553 nan 8.360 nan 0.000 0.477 372 D N 0.411 120.694 120.400 -0.195 0.000 2.117 372 D HA -0.166 4.460 4.640 -0.024 0.000 0.197 372 D C 1.828 178.032 176.300 -0.159 0.000 0.987 372 D CA 0.757 54.659 54.000 -0.162 0.000 0.829 372 D CB -0.031 40.665 40.800 -0.173 0.000 0.961 372 D HN 0.224 nan 8.370 nan 0.000 0.460 373 I N 0.452 120.879 120.570 -0.239 0.000 2.252 373 I HA -0.236 3.920 4.170 -0.024 0.000 0.245 373 I C 2.121 178.294 176.117 0.094 0.000 1.102 373 I CA 0.966 62.213 61.300 -0.087 0.000 1.385 373 I CB -1.157 36.729 38.000 -0.189 0.000 1.064 373 I HN 0.058 nan 8.210 nan 0.000 0.414 374 Y N 1.580 121.936 120.300 0.094 0.000 2.224 374 Y HA -0.181 4.352 4.550 -0.028 0.000 0.289 374 Y C 2.522 178.451 175.900 0.048 0.000 1.146 374 Y CA 0.763 58.913 58.100 0.084 0.000 1.182 374 Y CB -1.188 37.314 38.460 0.070 0.000 0.983 374 Y HN 0.194 nan 8.280 nan 0.000 0.524 375 K N -0.331 120.152 120.400 0.138 0.000 2.097 375 K HA -0.130 4.176 4.320 -0.024 0.000 0.205 375 K C 2.165 178.785 176.600 0.033 0.000 1.050 375 K CA 1.891 58.218 56.287 0.066 0.000 0.938 375 K CB -0.472 32.035 32.500 0.012 0.000 0.718 375 K HN 0.477 nan 8.250 nan 0.000 0.442 376 T N -0.138 114.395 114.554 -0.035 0.000 2.788 376 T HA -0.160 4.176 4.350 -0.024 0.000 0.268 376 T C 1.465 176.264 174.700 0.165 0.000 1.044 376 T CA 1.423 63.440 62.100 -0.138 0.000 1.139 376 T CB -0.296 68.253 68.868 -0.531 0.000 0.867 376 T HN 0.014 nan 8.240 nan 0.000 0.454 377 D N 2.080 122.627 120.400 0.245 0.000 2.097 377 D HA 0.014 4.640 4.640 -0.024 0.000 0.195 377 D C 2.526 178.916 176.300 0.150 0.000 0.989 377 D CA 1.575 55.731 54.000 0.260 0.000 0.827 377 D CB -0.720 40.212 40.800 0.219 0.000 0.966 377 D HN 0.567 nan 8.370 nan 0.000 0.456 378 A N 0.710 123.598 122.820 0.113 0.000 1.933 378 A HA -0.204 4.102 4.320 -0.024 0.000 0.218 378 A C 2.083 179.711 177.584 0.074 0.000 1.175 378 A CA 1.973 54.049 52.037 0.065 0.000 0.628 378 A CB -0.372 18.665 19.000 0.062 0.000 0.814 378 A HN 0.100 nan 8.150 nan 0.000 0.444 379 K N -0.053 120.415 120.400 0.113 0.000 2.097 379 K HA -0.025 4.280 4.320 -0.024 0.000 0.205 379 K C 1.638 178.321 176.600 0.139 0.000 1.050 379 K CA 1.678 58.044 56.287 0.131 0.000 0.938 379 K CB -0.693 31.920 32.500 0.189 0.000 0.718 379 K HN 0.183 nan 8.250 nan 0.000 0.442 380 V N 1.352 121.383 119.914 0.196 0.000 2.287 380 V HA -0.269 3.837 4.120 -0.024 0.000 0.248 380 V C 2.160 178.307 176.094 0.089 0.000 1.053 380 V CA 2.100 64.507 62.300 0.179 0.000 1.027 380 V CB -0.430 31.583 31.823 0.317 0.000 0.646 380 V HN 0.353 nan 8.190 nan 0.000 0.447 381 K N -0.310 120.081 120.400 -0.014 0.000 2.097 381 K HA -0.234 4.072 4.320 -0.024 0.000 0.206 381 K C 2.264 178.900 176.600 0.060 0.000 1.049 381 K CA 1.675 57.847 56.287 -0.192 0.000 0.933 381 K CB -0.183 32.092 32.500 -0.376 0.000 0.717 381 K HN 0.563 nan 8.250 nan 0.000 0.442 382 E N 1.055 121.294 120.200 0.064 0.000 2.077 382 E HA -0.171 4.165 4.350 -0.024 0.000 0.193 382 E C 1.865 178.513 176.600 0.080 0.000 0.989 382 E CA 0.883 57.330 56.400 0.079 0.000 0.800 382 E CB 0.082 29.818 29.700 0.060 0.000 0.746 382 E HN 0.251 nan 8.360 nan 0.000 0.452 383 L N 0.383 121.647 121.223 0.069 0.000 2.313 383 L HA 0.048 4.374 4.340 -0.024 0.000 0.214 383 L C 1.063 177.974 176.870 0.069 0.000 1.119 383 L CA 0.465 55.332 54.840 0.045 0.000 0.809 383 L CB 0.206 42.267 42.059 0.003 0.000 0.933 383 L HN 0.129 nan 8.230 nan 0.000 0.449 384 I N 0.592 121.237 120.570 0.126 0.000 2.905 384 I HA 0.145 4.300 4.170 -0.024 0.000 0.297 384 I C -1.628 174.652 176.117 0.272 0.000 1.358 384 I CA -0.985 60.414 61.300 0.164 0.000 0.975 384 I CB 0.983 39.093 38.000 0.183 0.000 1.857 384 I HN -0.127 nan 8.210 nan 0.000 0.612 385 P HA -0.049 nan 4.420 nan 0.000 0.229 385 P C 0.258 177.571 177.300 0.022 0.000 1.160 385 P CA 1.215 64.430 63.100 0.192 0.000 0.777 385 P CB 0.336 32.101 31.700 0.108 0.000 0.814 386 D N -0.391 120.021 120.400 0.019 0.000 2.559 386 D HA 0.080 4.705 4.640 -0.024 0.000 0.234 386 D C -0.199 176.084 176.300 -0.028 0.000 1.226 386 D CA 0.167 54.146 54.000 -0.036 0.000 0.830 386 D CB 0.113 40.911 40.800 -0.003 0.000 1.028 386 D HN 0.091 nan 8.370 nan 0.000 0.492 387 D N 0.662 121.050 120.400 -0.021 0.000 2.464 387 D HA 0.328 4.953 4.640 -0.024 0.000 0.243 387 D C 0.903 177.219 176.300 0.026 0.000 1.104 387 D CA -0.628 53.409 54.000 0.061 0.000 0.883 387 D CB 1.199 42.098 40.800 0.165 0.000 1.050 387 D HN -0.038 nan 8.370 nan 0.000 0.524 388 A N 3.199 126.013 122.820 -0.011 0.000 2.014 388 A HA -0.162 4.144 4.320 -0.024 0.000 0.218 388 A C 1.820 179.493 177.584 0.148 0.000 1.163 388 A CA 1.211 53.245 52.037 -0.004 0.000 0.652 388 A CB -0.541 18.452 19.000 -0.012 0.000 0.808 388 A HN 0.728 nan 8.150 nan 0.000 0.449 389 H N -0.372 118.769 119.070 0.118 0.000 2.353 389 H HA -0.045 4.498 4.556 -0.022 0.000 0.300 389 H C 1.808 177.290 175.328 0.257 0.000 1.090 389 H CA 1.737 57.889 56.048 0.172 0.000 1.327 389 H CB -0.030 29.816 29.762 0.140 0.000 1.383 389 H HN 0.291 nan 8.280 nan 0.000 0.508 390 L N 0.069 121.466 121.223 0.290 0.000 2.072 390 L HA -0.147 4.179 4.340 -0.024 0.000 0.205 390 L C 1.771 178.844 176.870 0.339 0.000 1.079 390 L CA 1.844 56.878 54.840 0.323 0.000 0.752 390 L CB -0.934 41.341 42.059 0.359 0.000 0.906 390 L HN 0.539 nan 8.230 nan 0.000 0.436 391 H N -0.358 118.795 119.070 0.139 0.000 2.352 391 H HA -0.239 4.302 4.556 -0.024 0.000 0.299 391 H C 2.315 177.666 175.328 0.039 0.000 1.097 391 H CA 1.698 57.802 56.048 0.095 0.000 1.311 391 H CB 0.222 30.028 29.762 0.073 0.000 1.377 391 H HN 0.304 nan 8.280 nan 0.000 0.504 392 R N 0.668 121.262 120.500 0.155 0.000 2.081 392 R HA -0.160 4.165 4.340 -0.024 0.000 0.235 392 R C 2.450 178.720 176.300 -0.051 0.000 1.131 392 R CA 1.352 57.471 56.100 0.032 0.000 0.960 392 R CB -0.334 29.983 30.300 0.028 0.000 0.856 392 R HN 0.480 nan 8.270 nan 0.000 0.436 393 W N 1.095 122.297 121.300 -0.163 0.000 2.335 393 W HA -0.245 4.404 4.660 -0.019 0.000 0.311 393 W C 1.242 177.682 176.519 -0.131 0.000 1.213 393 W CA 1.381 58.595 57.345 -0.219 0.000 1.274 393 W CB -0.271 29.085 29.460 -0.173 0.000 1.148 393 W HN 0.170 nan 8.180 nan 0.000 0.498 394 L N 0.465 121.578 121.223 -0.184 0.000 2.141 394 L HA -0.204 4.122 4.340 -0.024 0.000 0.209 394 L C 2.234 178.942 176.870 -0.269 0.000 1.094 394 L CA 1.330 56.040 54.840 -0.217 0.000 0.763 394 L CB -0.948 41.113 42.059 0.003 0.000 0.908 394 L HN -0.171 nan 8.230 nan 0.000 0.437 395 D N 0.030 120.302 120.400 -0.212 0.000 2.097 395 D HA -0.163 4.463 4.640 -0.024 0.000 0.197 395 D C 2.365 178.484 176.300 -0.303 0.000 0.984 395 D CA 1.310 55.187 54.000 -0.205 0.000 0.826 395 D CB -0.098 40.627 40.800 -0.125 0.000 0.973 395 D HN 0.258 nan 8.370 nan 0.000 0.460 396 M N 0.444 119.804 119.600 -0.400 0.000 2.159 396 M HA -0.129 4.337 4.480 -0.024 0.000 0.263 396 M C 2.273 178.205 176.300 -0.614 0.000 1.063 396 M CA 1.246 56.253 55.300 -0.488 0.000 1.110 396 M CB -0.208 32.050 32.600 -0.569 0.000 1.374 396 M HN -0.021 nan 8.290 nan 0.000 0.411 397 A N 0.298 122.633 122.820 -0.809 0.000 1.898 397 A HA -0.192 4.114 4.320 -0.024 0.000 0.216 397 A C 2.102 179.420 177.584 -0.443 0.000 1.181 397 A CA 1.868 53.478 52.037 -0.711 0.000 0.620 397 A CB -0.596 17.961 19.000 -0.739 0.000 0.819 397 A HN 0.379 nan 8.150 nan 0.000 0.442 398 R N 0.357 120.645 120.500 -0.353 0.000 2.091 398 R HA -0.135 4.191 4.340 -0.024 0.000 0.238 398 R C 1.866 177.988 176.300 -0.296 0.000 1.136 398 R CA 2.201 58.130 56.100 -0.285 0.000 0.959 398 R CB -0.464 29.687 30.300 -0.249 0.000 0.856 398 R HN 0.695 nan 8.270 nan 0.000 0.437 399 E N -0.925 119.102 120.200 -0.290 0.000 2.076 399 E HA -0.051 4.285 4.350 -0.024 0.000 0.190 399 E C 1.652 178.096 176.600 -0.260 0.000 0.979 399 E CA 0.795 57.046 56.400 -0.249 0.000 0.807 399 E CB 0.179 29.744 29.700 -0.224 0.000 0.761 399 E HN 0.138 nan 8.360 nan 0.000 0.454 400 R N -0.302 120.009 120.500 -0.315 0.000 2.394 400 R HA 0.219 4.545 4.340 -0.024 0.000 0.220 400 R C 0.106 176.174 176.300 -0.386 0.000 0.887 400 R CA 0.047 55.953 56.100 -0.323 0.000 1.034 400 R CB 0.995 31.105 30.300 -0.318 0.000 1.179 400 R HN 0.073 nan 8.270 nan 0.000 0.561 401 I N 1.590 121.919 120.570 -0.401 0.000 2.312 401 I HA 0.229 4.384 4.170 -0.024 0.000 0.290 401 I C 0.133 176.027 176.117 -0.372 0.000 1.008 401 I CA -0.368 60.698 61.300 -0.389 0.000 1.226 401 I CB 1.532 39.349 38.000 -0.305 0.000 1.371 401 I HN -0.199 nan 8.210 nan 0.000 0.468 402 S N 5.991 121.531 115.700 -0.267 0.000 2.554 402 S HA 0.529 4.985 4.470 -0.024 0.000 0.278 402 S C -0.162 174.388 174.600 -0.083 0.000 1.242 402 S CA -0.430 57.645 58.200 -0.208 0.000 1.051 402 S CB 0.603 63.757 63.200 -0.076 0.000 0.986 402 S HN 0.208 nan 8.310 nan 0.000 0.502 403 F N 2.191 122.159 119.950 0.029 0.000 2.506 403 F HA 0.230 4.749 4.527 -0.013 0.000 0.351 403 F C 1.122 176.954 175.800 0.053 0.000 1.136 403 F CA -0.091 57.923 58.000 0.022 0.000 1.298 403 F CB 0.301 39.296 39.000 -0.008 0.000 1.145 403 F HN 0.420 nan 8.300 nan 0.000 0.593 404 Q N 1.141 121.095 119.800 0.257 0.000 2.310 404 Q HA 0.520 4.846 4.340 -0.024 0.000 0.270 404 Q C 0.496 176.579 176.000 0.140 0.000 1.025 404 Q CA -0.288 55.626 55.803 0.185 0.000 0.772 404 Q CB 2.115 30.944 28.738 0.152 0.000 1.253 404 Q HN 0.947 nan 8.270 nan 0.000 0.450 405 G N 1.850 110.728 108.800 0.130 0.000 2.566 405 G HA2 -0.320 3.626 3.960 -0.024 0.000 0.280 405 G HA3 -0.320 3.626 3.960 -0.024 0.000 0.280 405 G C -0.277 174.648 174.900 0.041 0.000 1.225 405 G CA -0.623 44.533 45.100 0.093 0.000 0.966 405 G HN 0.555 nan 8.290 nan 0.000 0.560 406 L N 2.385 123.618 121.223 0.016 0.000 2.540 406 L HA 0.229 4.554 4.340 -0.024 0.000 0.276 406 L C -1.640 175.131 176.870 -0.165 0.000 1.212 406 L CA -1.123 53.684 54.840 -0.054 0.000 0.893 406 L CB 0.288 42.336 42.059 -0.019 0.000 1.138 406 L HN 0.284 nan 8.230 nan 0.000 0.491 407 P HA 0.089 nan 4.420 nan 0.000 0.262 407 P C -0.756 176.219 177.300 -0.542 0.000 1.182 407 P CA 0.272 62.836 63.100 -0.894 0.000 0.761 407 P CB 0.814 31.720 31.700 -1.324 0.000 0.795 408 A N 3.033 125.626 122.820 -0.378 0.000 2.593 408 A HA 0.876 5.182 4.320 -0.024 0.000 0.290 408 A C -1.051 176.426 177.584 -0.179 0.000 1.126 408 A CA -0.590 51.306 52.037 -0.236 0.000 0.695 408 A CB 1.779 20.696 19.000 -0.139 0.000 1.290 408 A HN 0.408 nan 8.150 nan 0.000 0.414 409 R N -0.072 120.134 120.500 -0.490 0.000 2.604 409 R HA 0.651 4.976 4.340 -0.024 0.000 0.281 409 R C -1.945 173.999 176.300 -0.594 0.000 1.020 409 R CA -0.483 55.298 56.100 -0.532 0.000 0.899 409 R CB 1.193 31.000 30.300 -0.822 0.000 1.205 409 R HN 0.808 nan 8.270 nan 0.000 0.450 410 I N 3.685 124.156 120.570 -0.164 0.000 2.353 410 I HA 0.505 4.661 4.170 -0.024 0.000 0.293 410 I C -1.169 175.071 176.117 0.205 0.000 0.992 410 I CA -0.437 60.878 61.300 0.025 0.000 1.268 410 I CB 1.274 39.399 38.000 0.208 0.000 1.387 410 I HN 0.706 nan 8.210 nan 0.000 0.478 411 C N 8.318 127.761 119.300 0.239 0.000 3.102 411 C HA 0.332 4.778 4.460 -0.024 0.000 0.363 411 C C -1.392 173.893 174.990 0.492 0.000 1.048 411 C CA -0.709 58.556 59.018 0.412 0.000 1.330 411 C CB -0.628 27.435 27.740 0.538 0.000 1.771 411 C HN 0.758 nan 8.230 nan 0.000 0.526 412 W N 5.712 127.059 121.300 0.078 0.000 2.655 412 W HA 0.473 5.120 4.660 -0.023 0.000 0.333 412 W C 0.488 177.080 176.519 0.121 0.000 1.382 412 W CA 0.327 57.729 57.345 0.094 0.000 1.398 412 W CB 0.589 30.043 29.460 -0.010 0.000 1.481 412 W HN 0.675 nan 8.180 nan 0.000 0.526 413 V N 2.097 122.111 119.914 0.167 0.000 3.159 413 V HA 1.049 5.154 4.120 -0.024 0.000 0.308 413 V C -0.064 175.946 176.094 -0.141 0.000 1.190 413 V CA -0.865 61.454 62.300 0.031 0.000 1.037 413 V CB 1.414 33.237 31.823 0.001 0.000 1.060 413 V HN 0.501 nan 8.190 nan 0.000 0.437 414 G N 0.074 108.793 108.800 -0.134 0.000 3.212 414 G HA2 0.566 4.512 3.960 -0.024 0.000 0.188 414 G HA3 0.566 4.512 3.960 -0.024 0.000 0.188 414 G C -0.797 173.995 174.900 -0.179 0.000 1.254 414 G CA -1.176 43.831 45.100 -0.156 0.000 0.957 414 G HN 0.940 nan 8.290 nan 0.000 0.596 415 L N 1.085 122.229 121.223 -0.132 0.000 2.513 415 L HA 0.361 4.687 4.340 -0.024 0.000 0.272 415 L C 1.446 178.254 176.870 -0.103 0.000 1.187 415 L CA 1.848 56.617 54.840 -0.118 0.000 0.895 415 L CB 0.350 42.358 42.059 -0.084 0.000 1.147 415 L HN 1.186 nan 8.230 nan 0.000 0.483 416 G N 3.456 112.188 108.800 -0.113 0.000 3.211 416 G HA2 -0.302 3.644 3.960 -0.024 0.000 0.206 416 G HA3 -0.302 3.644 3.960 -0.024 0.000 0.206 416 G C 0.700 175.527 174.900 -0.122 0.000 1.418 416 G CA 0.266 45.309 45.100 -0.095 0.000 0.958 416 G HN 0.526 nan 8.290 nan 0.000 0.567 417 L N 1.072 122.213 121.223 -0.137 0.000 2.240 417 L HA 0.172 4.497 4.340 -0.024 0.000 0.211 417 L C 3.050 179.765 176.870 -0.259 0.000 1.106 417 L CA 1.120 55.869 54.840 -0.152 0.000 0.793 417 L CB -0.354 41.645 42.059 -0.100 0.000 0.927 417 L HN 0.281 nan 8.230 nan 0.000 0.446 418 R N 0.213 120.483 120.500 -0.384 0.000 2.080 418 R HA -0.195 4.131 4.340 -0.024 0.000 0.236 418 R C 2.428 178.555 176.300 -0.288 0.000 1.137 418 R CA 1.682 57.420 56.100 -0.604 0.000 0.943 418 R CB -0.529 29.340 30.300 -0.719 0.000 0.846 418 R HN 0.354 nan 8.270 nan 0.000 0.431 419 A N 1.151 123.852 122.820 -0.198 0.000 1.930 419 A HA -0.180 4.126 4.320 -0.024 0.000 0.217 419 A C 2.056 179.549 177.584 -0.152 0.000 1.175 419 A CA 1.331 53.289 52.037 -0.131 0.000 0.627 419 A CB -0.349 18.594 19.000 -0.096 0.000 0.815 419 A HN 0.234 nan 8.150 nan 0.000 0.443 420 K N -0.803 119.499 120.400 -0.163 0.000 2.032 420 K HA -0.154 4.152 4.320 -0.024 0.000 0.209 420 K C 1.778 178.222 176.600 -0.260 0.000 1.048 420 K CA 1.502 57.690 56.287 -0.164 0.000 0.927 420 K CB -0.266 32.157 32.500 -0.129 0.000 0.712 420 K HN 0.302 nan 8.250 nan 0.000 0.441 421 L N 0.413 121.426 121.223 -0.350 0.000 2.027 421 L HA -0.062 4.264 4.340 -0.024 0.000 0.206 421 L C 2.473 178.779 176.870 -0.941 0.000 1.074 421 L CA 2.134 56.551 54.840 -0.704 0.000 0.745 421 L CB -1.192 40.497 42.059 -0.616 0.000 0.898 421 L HN 0.369 nan 8.230 nan 0.000 0.433 422 G N -1.059 107.466 108.800 -0.458 0.000 2.418 422 G HA2 -0.204 3.742 3.960 -0.024 0.000 0.217 422 G HA3 -0.204 3.742 3.960 -0.024 0.000 0.217 422 G C 1.690 176.467 174.900 -0.204 0.000 1.158 422 G CA 0.710 45.642 45.100 -0.280 0.000 0.771 422 G HN 0.327 nan 8.290 nan 0.000 0.545 423 L N 0.546 121.662 121.223 -0.178 0.000 2.093 423 L HA -0.013 4.312 4.340 -0.024 0.000 0.208 423 L C 3.392 180.198 176.870 -0.106 0.000 1.085 423 L CA 0.905 55.681 54.840 -0.108 0.000 0.755 423 L CB -0.343 41.663 42.059 -0.088 0.000 0.904 423 L HN 0.310 nan 8.230 nan 0.000 0.435 424 A N -0.069 122.644 122.820 -0.180 0.000 1.902 424 A HA -0.192 4.113 4.320 -0.024 0.000 0.217 424 A C 1.998 179.596 177.584 0.024 0.000 1.181 424 A CA 1.368 53.342 52.037 -0.105 0.000 0.623 424 A CB -0.617 18.292 19.000 -0.150 0.000 0.818 424 A HN 0.292 nan 8.150 nan 0.000 0.443 425 F N 0.262 120.127 119.950 -0.141 0.000 2.186 425 F HA -0.098 4.415 4.527 -0.023 0.000 0.299 425 F C 2.142 177.866 175.800 -0.126 0.000 1.090 425 F CA 0.974 58.870 58.000 -0.174 0.000 1.307 425 F CB -1.360 37.476 39.000 -0.273 0.000 1.019 425 F HN 0.338 nan 8.300 nan 0.000 0.489 426 N N 0.216 118.960 118.700 0.073 0.000 2.142 426 N HA -0.177 4.548 4.740 -0.024 0.000 0.186 426 N C 1.892 177.405 175.510 0.006 0.000 1.023 426 N CA 1.078 54.139 53.050 0.019 0.000 0.852 426 N CB -0.162 38.327 38.487 0.002 0.000 0.998 426 N HN 0.045 nan 8.380 nan 0.000 0.424 427 E N 0.114 120.319 120.200 0.008 0.000 2.153 427 E HA -0.137 4.199 4.350 -0.024 0.000 0.194 427 E C 1.764 178.368 176.600 0.006 0.000 0.988 427 E CA 0.865 57.268 56.400 0.004 0.000 0.811 427 E CB -0.074 29.626 29.700 0.001 0.000 0.746 427 E HN 0.525 nan 8.360 nan 0.000 0.466 428 M N -0.505 119.107 119.600 0.019 0.000 2.229 428 M HA -0.129 4.337 4.480 -0.024 0.000 0.264 428 M C 2.315 178.598 176.300 -0.029 0.000 1.063 428 M CA 0.741 56.043 55.300 0.003 0.000 1.114 428 M CB -0.034 32.574 32.600 0.014 0.000 1.387 428 M HN -0.067 nan 8.290 nan 0.000 0.420 429 V N 0.246 120.134 119.914 -0.043 0.000 2.358 429 V HA -0.257 3.848 4.120 -0.024 0.000 0.246 429 V C 2.435 178.497 176.094 -0.055 0.000 1.047 429 V CA 1.823 64.076 62.300 -0.079 0.000 1.035 429 V CB -0.805 30.950 31.823 -0.114 0.000 0.658 429 V HN 0.473 nan 8.190 nan 0.000 0.452 430 R N 0.823 121.305 120.500 -0.031 0.000 2.091 430 R HA -0.179 4.147 4.340 -0.024 0.000 0.238 430 R C 2.449 178.744 176.300 -0.009 0.000 1.136 430 R CA 2.072 58.163 56.100 -0.015 0.000 0.959 430 R CB -0.337 29.960 30.300 -0.005 0.000 0.856 430 R HN 0.663 nan 8.270 nan 0.000 0.437 431 S N -1.464 114.231 115.700 -0.008 0.000 2.522 431 S HA 0.089 4.545 4.470 -0.024 0.000 0.227 431 S C 1.355 175.951 174.600 -0.005 0.000 0.986 431 S CA 0.666 58.864 58.200 -0.003 0.000 0.929 431 S CB 0.432 63.633 63.200 0.000 0.000 0.769 431 S HN 0.631 nan 8.310 nan 0.000 0.529 432 G N 1.216 110.007 108.800 -0.015 0.000 2.179 432 G HA2 -0.351 3.595 3.960 -0.024 0.000 0.260 432 G HA3 -0.351 3.595 3.960 -0.024 0.000 0.260 432 G C 0.548 175.437 174.900 -0.019 0.000 0.977 432 G CA 0.551 45.641 45.100 -0.017 0.000 0.641 432 G HN 0.570 nan 8.290 nan 0.000 0.533 433 E N -0.472 119.717 120.200 -0.018 0.000 2.085 433 E HA -0.006 4.330 4.350 -0.024 0.000 0.194 433 E C 1.171 177.749 176.600 -0.036 0.000 0.994 433 E CA 0.603 56.992 56.400 -0.017 0.000 0.801 433 E CB -0.077 29.618 29.700 -0.009 0.000 0.743 433 E HN 0.619 nan 8.360 nan 0.000 0.453 434 L N 0.705 121.893 121.223 -0.058 0.000 2.312 434 L HA 0.113 4.439 4.340 -0.024 0.000 0.281 434 L C 1.305 178.123 176.870 -0.086 0.000 1.070 434 L CA -0.473 54.314 54.840 -0.089 0.000 0.805 434 L CB 1.792 43.775 42.059 -0.127 0.000 1.174 434 L HN -0.016 nan 8.230 nan 0.000 0.434 435 S N 1.509 117.158 115.700 -0.085 0.000 2.406 435 S HA 0.101 4.557 4.470 -0.024 0.000 0.228 435 S C 0.502 175.051 174.600 -0.085 0.000 1.020 435 S CA 1.026 59.189 58.200 -0.062 0.000 0.965 435 S CB 0.083 63.254 63.200 -0.048 0.000 0.798 435 S HN 0.761 nan 8.310 nan 0.000 0.488 436 A N 0.451 123.174 122.820 -0.161 0.000 2.593 436 A HA 0.708 5.014 4.320 -0.024 0.000 0.290 436 A C -3.099 174.225 177.584 -0.434 0.000 1.126 436 A CA -1.804 50.042 52.037 -0.318 0.000 0.695 436 A CB 0.221 19.067 19.000 -0.258 0.000 1.290 436 A HN -0.023 nan 8.150 nan 0.000 0.414 437 P HA 0.252 nan 4.420 nan 0.000 0.269 437 P C -0.322 176.798 177.300 -0.299 0.000 1.211 437 P CA 0.189 62.968 63.100 -0.534 0.000 0.781 437 P CB 0.357 31.595 31.700 -0.770 0.000 0.877 438 V N 0.145 119.961 119.914 -0.162 0.000 2.815 438 V HA 0.660 4.766 4.120 -0.024 0.000 0.314 438 V C -0.471 175.631 176.094 0.013 0.000 1.064 438 V CA -0.957 61.305 62.300 -0.064 0.000 0.952 438 V CB 2.072 33.851 31.823 -0.073 0.000 1.020 438 V HN 0.321 nan 8.190 nan 0.000 0.439 439 V N 4.066 124.022 119.914 0.070 0.000 2.483 439 V HA 0.672 4.777 4.120 -0.024 0.000 0.295 439 V C -0.821 175.317 176.094 0.074 0.000 1.035 439 V CA -0.471 61.876 62.300 0.078 0.000 0.896 439 V CB 1.514 33.422 31.823 0.141 0.000 0.986 439 V HN 0.801 nan 8.190 nan 0.000 0.447 440 I N 6.248 126.824 120.570 0.009 0.000 2.406 440 I HA 0.863 5.019 4.170 -0.024 0.000 0.290 440 I C 0.628 176.676 176.117 -0.115 0.000 0.999 440 I CA 0.237 61.520 61.300 -0.029 0.000 1.124 440 I CB 1.223 39.225 38.000 0.004 0.000 1.289 440 I HN 0.771 nan 8.210 nan 0.000 0.441 441 G N 5.324 114.038 108.800 -0.143 0.000 3.003 441 G HA2 0.908 4.854 3.960 -0.024 0.000 0.243 441 G HA3 0.908 4.854 3.960 -0.024 0.000 0.243 441 G C -1.097 173.756 174.900 -0.078 0.000 1.176 441 G CA -0.678 44.349 45.100 -0.121 0.000 0.812 441 G HN 0.624 nan 8.290 nan 0.000 0.584 442 R N -0.991 119.491 120.500 -0.030 0.000 2.829 442 R HA 0.406 4.732 4.340 -0.024 0.000 0.283 442 R C -1.913 174.415 176.300 0.048 0.000 1.013 442 R CA -0.821 55.280 56.100 0.002 0.000 0.848 442 R CB 0.515 30.825 30.300 0.017 0.000 1.291 442 R HN 0.485 nan 8.270 nan 0.000 0.496 443 D N -0.244 120.184 120.400 0.048 0.000 2.363 443 D HA 0.083 4.708 4.640 -0.024 0.000 0.240 443 D C 0.534 176.930 176.300 0.160 0.000 1.236 443 D CA -0.015 54.040 54.000 0.092 0.000 0.927 443 D CB 0.559 41.401 40.800 0.070 0.000 1.150 443 D HN 0.633 nan 8.370 nan 0.000 0.458 444 H N 0.154 119.199 119.070 -0.042 0.000 2.529 444 H HA 0.054 4.596 4.556 -0.023 0.000 0.277 444 H C 0.549 175.826 175.328 -0.086 0.000 0.999 444 H CA -0.349 55.660 56.048 -0.065 0.000 1.256 444 H CB 0.345 30.070 29.762 -0.060 0.000 1.402 444 H HN 0.151 nan 8.280 nan 0.000 0.566 445 L N 2.493 123.752 121.223 0.059 0.000 2.485 445 L HA 0.095 4.421 4.340 -0.024 0.000 0.279 445 L C -0.804 176.021 176.870 -0.074 0.000 1.124 445 L CA 0.183 55.052 54.840 0.049 0.000 0.888 445 L CB 0.141 42.306 42.059 0.177 0.000 1.217 445 L HN 0.121 nan 8.230 nan 0.000 0.464 446 D N 0.907 121.121 120.400 -0.310 0.000 2.725 446 D HA 0.178 4.804 4.640 -0.024 0.000 0.292 446 D C 0.608 176.376 176.300 -0.887 0.000 1.288 446 D CA 0.255 53.908 54.000 -0.578 0.000 0.784 446 D CB 1.405 42.021 40.800 -0.306 0.000 1.308 446 D HN 0.362 nan 8.370 nan 0.000 0.429 447 S N -0.664 114.508 115.700 -0.880 0.000 2.402 447 S HA 0.092 4.548 4.470 -0.024 0.000 0.229 447 S C 1.581 176.013 174.600 -0.281 0.000 1.021 447 S CA 1.147 58.892 58.200 -0.759 0.000 0.974 447 S CB -0.061 62.867 63.200 -0.455 0.000 0.800 447 S HN 0.510 nan 8.310 nan 0.000 0.484 448 G N 0.456 109.122 108.800 -0.224 0.000 3.519 448 G HA2 0.349 4.294 3.960 -0.024 0.000 0.269 448 G HA3 0.349 4.294 3.960 -0.024 0.000 0.269 448 G C 0.760 175.627 174.900 -0.055 0.000 1.028 448 G CA 0.293 45.329 45.100 -0.107 0.000 0.809 448 G HN 0.664 nan 8.290 nan 0.000 0.521 449 S N -1.130 114.517 115.700 -0.089 0.000 2.701 449 S HA 0.503 4.959 4.470 -0.024 0.000 0.242 449 S C -0.173 174.448 174.600 0.034 0.000 1.025 449 S CA -0.307 57.867 58.200 -0.045 0.000 1.016 449 S CB 1.060 64.199 63.200 -0.102 0.000 0.977 449 S HN 0.434 nan 8.310 nan 0.000 0.546 450 V N 0.902 120.842 119.914 0.044 0.000 2.891 450 V HA 0.707 4.813 4.120 -0.024 0.000 0.304 450 V C -1.758 174.410 176.094 0.125 0.000 1.171 450 V CA -0.247 62.129 62.300 0.128 0.000 0.943 450 V CB 2.199 34.087 31.823 0.108 0.000 1.037 450 V HN 0.310 nan 8.190 nan 0.000 0.427 451 S N 3.924 119.729 115.700 0.174 0.000 2.519 451 S HA 0.758 5.214 4.470 -0.024 0.000 0.309 451 S C -0.593 174.114 174.600 0.178 0.000 1.100 451 S CA -0.439 57.858 58.200 0.161 0.000 1.059 451 S CB 1.515 64.817 63.200 0.171 0.000 1.008 451 S HN 1.016 nan 8.310 nan 0.000 0.478 452 S N 3.410 119.204 115.700 0.158 0.000 2.441 452 S HA 0.359 4.815 4.470 -0.024 0.000 0.187 452 S C -2.649 172.045 174.600 0.157 0.000 0.917 452 S CA -0.891 57.417 58.200 0.180 0.000 1.078 452 S CB 0.609 63.919 63.200 0.183 0.000 1.379 452 S HN 0.286 nan 8.310 nan 0.000 0.399 453 P HA 0.020 nan 4.420 nan 0.000 0.223 453 P C 0.622 178.000 177.300 0.130 0.000 1.144 453 P CA 0.863 64.034 63.100 0.119 0.000 0.783 453 P CB 0.094 31.854 31.700 0.100 0.000 0.771 454 N N -1.756 117.058 118.700 0.189 0.000 2.230 454 N HA 0.109 4.835 4.740 -0.024 0.000 0.202 454 N C 1.046 176.666 175.510 0.184 0.000 1.119 454 N CA 0.167 53.351 53.050 0.223 0.000 0.851 454 N CB 0.533 39.171 38.487 0.252 0.000 0.990 454 N HN 0.169 nan 8.380 nan 0.000 0.497 455 R N 0.045 120.630 120.500 0.140 0.000 3.040 455 R HA 0.161 4.487 4.340 -0.024 0.000 0.097 455 R C 0.349 176.657 176.300 0.014 0.000 0.899 455 R CA -0.089 56.067 56.100 0.093 0.000 0.710 455 R CB 0.029 30.416 30.300 0.144 0.000 0.643 455 R HN -0.228 nan 8.270 nan 0.000 0.353 456 E N 0.446 120.681 120.200 0.057 0.000 2.153 456 E HA -0.097 4.239 4.350 -0.024 0.000 0.194 456 E C 0.704 177.370 176.600 0.109 0.000 0.988 456 E CA 1.930 58.389 56.400 0.098 0.000 0.811 456 E CB 0.083 29.893 29.700 0.183 0.000 0.746 456 E HN 0.544 nan 8.360 nan 0.000 0.466 457 T N -1.928 112.680 114.554 0.089 0.000 3.269 457 T HA 0.188 4.524 4.350 -0.024 0.000 0.269 457 T C 0.102 174.839 174.700 0.063 0.000 0.993 457 T CA -0.533 61.610 62.100 0.072 0.000 0.909 457 T CB -0.060 68.843 68.868 0.059 0.000 1.115 457 T HN -0.011 nan 8.240 nan 0.000 0.543 458 E N 1.597 121.829 120.200 0.054 0.000 2.344 458 E HA 0.408 4.744 4.350 -0.024 0.000 0.270 458 E C 0.616 177.241 176.600 0.042 0.000 1.021 458 E CA 0.181 56.612 56.400 0.051 0.000 0.887 458 E CB 0.188 29.924 29.700 0.061 0.000 0.997 458 E HN 0.580 nan 8.360 nan 0.000 0.429 459 A N 5.191 128.033 122.820 0.038 0.000 2.610 459 A HA -0.181 4.125 4.320 -0.024 0.000 0.299 459 A C 0.226 177.854 177.584 0.073 0.000 1.487 459 A CA 0.623 52.684 52.037 0.039 0.000 0.743 459 A CB -1.384 17.636 19.000 0.033 0.000 1.070 459 A HN 0.565 nan 8.150 nan 0.000 0.439 460 M N 0.065 119.714 119.600 0.081 0.000 2.250 460 M HA 0.035 4.500 4.480 -0.024 0.000 0.337 460 M C 1.863 178.210 176.300 0.077 0.000 1.161 460 M CA 0.776 56.155 55.300 0.131 0.000 1.088 460 M CB -0.051 32.598 32.600 0.082 0.000 1.639 460 M HN 0.709 nan 8.290 nan 0.000 0.447 461 R N 1.759 122.295 120.500 0.061 0.000 2.159 461 R HA -0.172 4.154 4.340 -0.024 0.000 0.237 461 R C 0.534 176.772 176.300 -0.104 0.000 1.131 461 R CA 1.956 57.999 56.100 -0.096 0.000 0.982 461 R CB -0.422 29.657 30.300 -0.368 0.000 0.868 461 R HN 0.689 nan 8.270 nan 0.000 0.453 462 D N -1.032 119.314 120.400 -0.090 0.000 2.369 462 D HA 0.116 4.742 4.640 -0.024 0.000 0.211 462 D C 1.018 177.305 176.300 -0.021 0.000 1.077 462 D CA 0.370 54.333 54.000 -0.062 0.000 0.842 462 D CB 0.469 41.229 40.800 -0.067 0.000 0.947 462 D HN 0.403 nan 8.370 nan 0.000 0.509 463 G N 0.789 109.585 108.800 -0.008 0.000 2.143 463 G HA2 -0.319 3.627 3.960 -0.024 0.000 0.249 463 G HA3 -0.319 3.627 3.960 -0.024 0.000 0.249 463 G C 0.815 175.726 174.900 0.019 0.000 0.981 463 G CA 0.582 45.684 45.100 0.003 0.000 0.665 463 G HN 0.704 nan 8.290 nan 0.000 0.528 464 S N -0.160 115.560 115.700 0.033 0.000 2.710 464 S HA 0.246 4.702 4.470 -0.024 0.000 0.224 464 S C 1.404 176.049 174.600 0.076 0.000 0.948 464 S CA 0.804 59.043 58.200 0.065 0.000 0.949 464 S CB 0.228 63.487 63.200 0.099 0.000 0.778 464 S HN 0.242 nan 8.310 nan 0.000 0.498 465 D N 3.368 123.800 120.400 0.053 0.000 2.149 465 D HA -0.126 4.500 4.640 -0.024 0.000 0.194 465 D C 1.851 178.197 176.300 0.077 0.000 1.001 465 D CA 1.876 55.911 54.000 0.058 0.000 0.849 465 D CB -0.477 40.349 40.800 0.042 0.000 0.939 465 D HN 0.670 nan 8.370 nan 0.000 0.449 466 A N 0.136 122.996 122.820 0.066 0.000 2.251 466 A HA 0.169 4.475 4.320 -0.024 0.000 0.209 466 A C 0.735 178.364 177.584 0.075 0.000 1.187 466 A CA -0.165 51.911 52.037 0.064 0.000 0.823 466 A CB 0.205 19.224 19.000 0.032 0.000 0.846 466 A HN 0.055 nan 8.150 nan 0.000 0.486 467 V N 2.337 122.316 119.914 0.109 0.000 2.425 467 V HA 0.076 4.181 4.120 -0.024 0.000 0.276 467 V C 1.251 177.437 176.094 0.154 0.000 1.017 467 V CA 0.976 63.344 62.300 0.114 0.000 1.062 467 V CB 0.568 32.502 31.823 0.185 0.000 0.997 467 V HN 0.597 nan 8.190 nan 0.000 0.476 468 S N 1.145 116.880 115.700 0.058 0.000 2.593 468 S HA 0.062 4.518 4.470 -0.024 0.000 0.236 468 S C 0.958 175.550 174.600 -0.015 0.000 0.991 468 S CA -0.407 57.834 58.200 0.069 0.000 0.963 468 S CB 0.028 63.261 63.200 0.056 0.000 0.865 468 S HN 0.706 nan 8.310 nan 0.000 0.488 469 D N 2.241 122.546 120.400 -0.159 0.000 2.133 469 D HA -0.156 4.470 4.640 -0.024 0.000 0.195 469 D C 1.086 177.249 176.300 -0.229 0.000 0.997 469 D CA 1.377 55.200 54.000 -0.295 0.000 0.840 469 D CB -0.315 40.151 40.800 -0.557 0.000 0.947 469 D HN 0.632 nan 8.370 nan 0.000 0.452 470 W N 1.479 122.765 121.300 -0.024 0.000 2.354 470 W HA -0.095 4.551 4.660 -0.024 0.000 0.315 470 W C -0.310 176.191 176.519 -0.031 0.000 1.206 470 W CA 0.641 57.968 57.345 -0.030 0.000 1.290 470 W CB -1.823 27.613 29.460 -0.039 0.000 1.152 470 W HN 0.152 nan 8.180 nan 0.000 0.489 471 P HA -0.164 nan 4.420 nan 0.000 0.218 471 P C 1.521 178.843 177.300 0.037 0.000 1.149 471 P CA 1.625 64.782 63.100 0.095 0.000 0.817 471 P CB -0.269 31.490 31.700 0.098 0.000 0.785 472 L N -1.097 120.137 121.223 0.018 0.000 2.027 472 L HA -0.127 4.199 4.340 -0.024 0.000 0.206 472 L C 2.846 179.705 176.870 -0.019 0.000 1.074 472 L CA 1.211 56.042 54.840 -0.015 0.000 0.745 472 L CB -1.068 40.969 42.059 -0.037 0.000 0.898 472 L HN -0.104 nan 8.230 nan 0.000 0.433 473 L N -0.045 121.166 121.223 -0.019 0.000 2.042 473 L HA -0.254 4.072 4.340 -0.024 0.000 0.210 473 L C 2.577 179.456 176.870 0.015 0.000 1.076 473 L CA 1.279 56.113 54.840 -0.010 0.000 0.749 473 L CB -0.768 41.282 42.059 -0.015 0.000 0.893 473 L HN 0.445 nan 8.230 nan 0.000 0.432 474 N N 0.643 119.363 118.700 0.034 0.000 2.069 474 N HA -0.216 4.509 4.740 -0.024 0.000 0.191 474 N C 1.816 177.316 175.510 -0.017 0.000 1.031 474 N CA 1.802 54.861 53.050 0.014 0.000 0.852 474 N CB 0.108 38.600 38.487 0.009 0.000 1.018 474 N HN 0.336 nan 8.380 nan 0.000 0.423 475 A N 1.116 123.919 122.820 -0.027 0.000 1.898 475 A HA -0.036 4.270 4.320 -0.024 0.000 0.216 475 A C 2.207 179.779 177.584 -0.020 0.000 1.181 475 A CA 0.663 52.677 52.037 -0.038 0.000 0.620 475 A CB -0.514 18.460 19.000 -0.043 0.000 0.819 475 A HN 0.270 nan 8.150 nan 0.000 0.442 476 L N -0.883 120.331 121.223 -0.015 0.000 2.042 476 L HA -0.140 4.186 4.340 -0.024 0.000 0.210 476 L C 2.409 179.278 176.870 -0.002 0.000 1.076 476 L CA 1.656 56.490 54.840 -0.010 0.000 0.749 476 L CB -1.251 40.799 42.059 -0.015 0.000 0.893 476 L HN 0.464 nan 8.230 nan 0.000 0.432 477 L N -0.579 120.643 121.223 -0.002 0.000 2.109 477 L HA -0.082 4.244 4.340 -0.024 0.000 0.207 477 L C 2.197 179.068 176.870 0.002 0.000 1.086 477 L CA 1.469 56.311 54.840 0.004 0.000 0.760 477 L CB -0.735 41.328 42.059 0.008 0.000 0.910 477 L HN 0.282 nan 8.230 nan 0.000 0.437 478 N N -0.975 117.720 118.700 -0.009 0.000 2.223 478 N HA -0.143 4.583 4.740 -0.024 0.000 0.185 478 N C 1.546 177.055 175.510 -0.001 0.000 1.016 478 N CA 1.752 54.794 53.050 -0.014 0.000 0.863 478 N CB -0.058 38.407 38.487 -0.037 0.000 0.983 478 N HN 0.431 nan 8.380 nan 0.000 0.429 479 T N 0.775 115.332 114.554 0.004 0.000 2.812 479 T HA 0.005 4.340 4.350 -0.024 0.000 0.264 479 T C 1.987 176.705 174.700 0.030 0.000 1.042 479 T CA 1.161 63.271 62.100 0.016 0.000 1.140 479 T CB -0.174 68.702 68.868 0.014 0.000 0.870 479 T HN 0.290 nan 8.240 nan 0.000 0.445 480 A N 1.184 124.024 122.820 0.032 0.000 1.969 480 A HA 0.202 4.508 4.320 -0.024 0.000 0.218 480 A C 2.510 180.128 177.584 0.056 0.000 1.169 480 A CA 1.591 53.658 52.037 0.050 0.000 0.635 480 A CB -1.028 17.992 19.000 0.034 0.000 0.810 480 A HN 0.510 nan 8.150 nan 0.000 0.445 481 G N -1.724 107.098 108.800 0.036 0.000 2.551 481 G HA2 0.343 4.289 3.960 -0.024 0.000 0.216 481 G HA3 0.343 4.289 3.960 -0.024 0.000 0.216 481 G C 1.073 175.999 174.900 0.043 0.000 1.137 481 G CA 0.613 45.734 45.100 0.035 0.000 0.798 481 G HN 1.682 nan 8.290 nan 0.000 0.536 482 G N -0.927 107.897 108.800 0.040 0.000 2.173 482 G HA2 0.235 4.181 3.960 -0.024 0.000 0.174 482 G HA3 0.235 4.181 3.960 -0.024 0.000 0.174 482 G C 0.387 175.305 174.900 0.030 0.000 1.025 482 G CA 0.096 45.219 45.100 0.039 0.000 0.706 482 G HN 1.241 nan 8.290 nan 0.000 0.499 483 A N -0.380 122.447 122.820 0.013 0.000 2.547 483 A HA 0.588 4.894 4.320 -0.024 0.000 0.233 483 A C 1.678 179.286 177.584 0.040 0.000 1.067 483 A CA 1.578 53.611 52.037 -0.006 0.000 0.763 483 A CB 0.227 19.200 19.000 -0.045 0.000 1.007 483 A HN 0.870 nan 8.150 nan 0.000 0.506 484 T N 0.464 115.050 114.554 0.054 0.000 2.896 484 T HA 0.083 4.418 4.350 -0.024 0.000 0.263 484 T C 0.215 175.165 174.700 0.416 0.000 1.050 484 T CA 1.797 64.031 62.100 0.222 0.000 1.140 484 T CB -0.281 68.773 68.868 0.310 0.000 0.877 484 T HN 0.846 nan 8.240 nan 0.000 0.457 485 W N -0.426 120.915 121.300 0.068 0.000 3.127 485 W HA 0.729 5.374 4.660 -0.025 0.000 0.330 485 W C -2.109 174.418 176.519 0.013 0.000 1.187 485 W CA -1.252 56.122 57.345 0.049 0.000 1.198 485 W CB 1.183 30.691 29.460 0.080 0.000 1.408 485 W HN -0.347 nan 8.180 nan 0.000 0.529 486 V N 3.083 123.110 119.914 0.188 0.000 2.760 486 V HA 0.723 4.829 4.120 -0.024 0.000 0.309 486 V C -0.474 175.652 176.094 0.054 0.000 1.077 486 V CA -0.768 61.557 62.300 0.042 0.000 0.910 486 V CB 1.850 33.685 31.823 0.019 0.000 1.008 486 V HN 0.741 nan 8.190 nan 0.000 0.424 487 S N 4.634 120.322 115.700 -0.020 0.000 2.536 487 S HA 0.868 5.323 4.470 -0.024 0.000 0.287 487 S C -1.260 173.313 174.600 -0.045 0.000 1.101 487 S CA -0.783 57.422 58.200 0.007 0.000 0.950 487 S CB 1.865 65.074 63.200 0.016 0.000 1.056 487 S HN 0.533 nan 8.310 nan 0.000 0.481 488 L N 3.125 124.400 121.223 0.087 0.000 2.372 488 L HA 0.566 4.892 4.340 -0.024 0.000 0.274 488 L C -0.462 176.550 176.870 0.237 0.000 0.988 488 L CA -0.420 54.462 54.840 0.068 0.000 0.833 488 L CB 1.502 43.580 42.059 0.031 0.000 1.236 488 L HN 0.826 nan 8.230 nan 0.000 0.410 489 H N 1.352 120.375 119.070 -0.078 0.000 2.771 489 H HA 0.450 4.991 4.556 -0.024 0.000 0.367 489 H C -1.293 173.835 175.328 -0.332 0.000 1.172 489 H CA -0.914 55.067 56.048 -0.112 0.000 1.186 489 H CB 3.030 32.813 29.762 0.035 0.000 1.790 489 H HN 0.531 nan 8.280 nan 0.000 0.556 490 H N -0.255 118.771 119.070 -0.072 0.000 2.589 490 H HA 0.294 4.837 4.556 -0.023 0.000 0.351 490 H C 0.438 175.867 175.328 0.169 0.000 1.074 490 H CA 0.248 56.276 56.048 -0.033 0.000 1.203 490 H CB 1.427 31.192 29.762 0.006 0.000 1.558 490 H HN 1.041 nan 8.280 nan 0.000 0.522 491 G N 3.245 111.949 108.800 -0.160 0.000 2.157 491 G HA2 -0.245 3.700 3.960 -0.024 0.000 0.248 491 G HA3 -0.245 3.700 3.960 -0.024 0.000 0.248 491 G C 0.601 175.694 174.900 0.322 0.000 0.979 491 G CA 0.069 45.090 45.100 -0.133 0.000 0.650 491 G HN 0.980 nan 8.290 nan 0.000 0.529 492 G N -1.083 108.037 108.800 0.533 0.000 2.380 492 G HA2 0.517 4.463 3.960 -0.024 0.000 0.242 492 G HA3 0.517 4.463 3.960 -0.024 0.000 0.242 492 G C 1.535 176.476 174.900 0.067 0.000 1.298 492 G CA 1.628 46.841 45.100 0.189 0.000 0.878 492 G HN 1.840 nan 8.290 nan 0.000 0.542 493 G N 0.400 109.194 108.800 -0.010 0.000 3.329 493 G HA2 -0.297 3.648 3.960 -0.024 0.000 0.220 493 G HA3 -0.297 3.648 3.960 -0.024 0.000 0.220 493 G C 1.375 176.284 174.900 0.015 0.000 1.358 493 G CA 1.285 46.373 45.100 -0.020 0.000 0.856 493 G HN 1.991 nan 8.290 nan 0.000 0.551 494 V N -0.814 119.182 119.914 0.137 0.000 3.643 494 V HA 0.647 4.753 4.120 -0.024 0.000 0.280 494 V C 1.420 177.685 176.094 0.285 0.000 1.351 494 V CA 0.829 63.242 62.300 0.188 0.000 1.073 494 V CB -0.300 31.630 31.823 0.179 0.000 0.863 494 V HN 2.547 nan 8.190 nan 0.000 0.436 495 G N 0.570 109.574 108.800 0.339 0.000 2.712 495 G HA2 -0.102 3.843 3.960 -0.024 0.000 0.683 495 G HA3 -0.102 3.843 3.960 -0.024 0.000 0.683 495 G C -0.555 174.311 174.900 -0.057 0.000 1.320 495 G CA -0.469 44.839 45.100 0.346 0.000 0.847 495 G HN 0.256 nan 8.290 nan 0.000 0.553 496 M N 1.139 120.281 119.600 -0.764 0.000 2.261 496 M HA 0.313 4.779 4.480 -0.024 0.000 0.350 496 M C 1.811 178.011 176.300 -0.167 0.000 1.343 496 M CA 2.009 56.852 55.300 -0.761 0.000 1.003 496 M CB -0.560 31.349 32.600 -1.151 0.000 1.848 496 M HN 2.549 nan 8.290 nan 0.000 0.456 497 G N 2.879 111.700 108.800 0.036 0.000 2.213 497 G HA2 -0.278 3.667 3.960 -0.024 0.000 0.236 497 G HA3 -0.278 3.667 3.960 -0.024 0.000 0.236 497 G C 0.370 175.044 174.900 -0.377 0.000 0.991 497 G CA -0.058 44.946 45.100 -0.160 0.000 0.629 497 G HN 0.610 nan 8.290 nan 0.000 0.517 498 F N 1.221 121.220 119.950 0.082 0.000 2.706 498 F HA 0.670 5.183 4.527 -0.023 0.000 0.313 498 F C 1.088 176.966 175.800 0.131 0.000 1.096 498 F CA 0.545 58.604 58.000 0.098 0.000 1.219 498 F CB 1.421 40.480 39.000 0.097 0.000 1.051 498 F HN 0.188 nan 8.300 nan 0.000 0.568 499 S N -0.105 115.760 115.700 0.274 0.000 2.537 499 S HA 0.603 5.058 4.470 -0.024 0.000 0.270 499 S C -1.269 173.517 174.600 0.311 0.000 1.142 499 S CA -0.450 57.936 58.200 0.309 0.000 0.870 499 S CB 1.548 64.978 63.200 0.383 0.000 1.112 499 S HN 0.108 nan 8.310 nan 0.000 0.466 500 Q N 1.705 121.667 119.800 0.270 0.000 2.359 500 Q HA 0.630 4.956 4.340 -0.024 0.000 0.274 500 Q C -1.539 174.550 176.000 0.148 0.000 1.074 500 Q CA -0.849 55.020 55.803 0.111 0.000 0.810 500 Q CB 2.248 31.038 28.738 0.087 0.000 1.342 500 Q HN 0.893 nan 8.270 nan 0.000 0.427 501 H N -1.875 117.284 119.070 0.149 0.000 3.003 501 H HA 0.695 5.237 4.556 -0.023 0.000 0.327 501 H C -1.314 174.007 175.328 -0.011 0.000 1.353 501 H CA -1.086 55.017 56.048 0.092 0.000 1.142 501 H CB 1.040 30.899 29.762 0.162 0.000 1.864 501 H HN 0.556 nan 8.280 nan 0.000 0.529 502 S N 0.327 115.981 115.700 -0.076 0.000 2.600 502 S HA 0.890 5.346 4.470 -0.024 0.000 0.300 502 S C -0.119 173.962 174.600 -0.866 0.000 1.087 502 S CA -0.375 57.624 58.200 -0.335 0.000 0.965 502 S CB 2.005 65.102 63.200 -0.172 0.000 1.089 502 S HN 1.229 nan 8.310 nan 0.000 0.496 503 G N 0.332 108.602 108.800 -0.884 0.000 2.533 503 G HA2 0.727 4.673 3.960 -0.024 0.000 0.304 503 G HA3 0.727 4.673 3.960 -0.024 0.000 0.304 503 G C -1.000 173.728 174.900 -0.287 0.000 1.263 503 G CA -1.083 43.603 45.100 -0.690 0.000 0.964 503 G HN 1.130 nan 8.290 nan 0.000 0.479 504 M N -0.270 119.199 119.600 -0.219 0.000 2.470 504 M HA 0.804 5.270 4.480 -0.024 0.000 0.285 504 M C -1.635 174.460 176.300 -0.342 0.000 1.213 504 M CA -0.969 54.194 55.300 -0.229 0.000 0.901 504 M CB 1.957 34.466 32.600 -0.152 0.000 1.718 504 M HN 0.427 nan 8.290 nan 0.000 0.469 505 V N 2.691 122.261 119.914 -0.574 0.000 2.841 505 V HA 0.831 4.937 4.120 -0.024 0.000 0.310 505 V C -1.496 174.288 176.094 -0.518 0.000 1.090 505 V CA -0.521 61.347 62.300 -0.719 0.000 0.930 505 V CB 2.142 33.045 31.823 -1.534 0.000 1.014 505 V HN 0.973 nan 8.190 nan 0.000 0.425 506 I N 3.386 123.784 120.570 -0.287 0.000 2.647 506 I HA 0.679 4.835 4.170 -0.024 0.000 0.295 506 I C -0.728 175.365 176.117 -0.041 0.000 1.078 506 I CA -0.445 60.785 61.300 -0.117 0.000 1.048 506 I CB 2.239 40.211 38.000 -0.046 0.000 1.239 506 I HN 0.374 nan 8.210 nan 0.000 0.421 507 V N 6.430 126.371 119.914 0.045 0.000 2.439 507 V HA 0.269 4.375 4.120 -0.024 0.000 0.282 507 V C -0.442 175.685 176.094 0.055 0.000 1.039 507 V CA -0.455 61.900 62.300 0.091 0.000 0.913 507 V CB 1.053 32.991 31.823 0.192 0.000 0.983 507 V HN 0.836 nan 8.190 nan 0.000 0.460 508 C N 4.466 123.781 119.300 0.024 0.000 2.146 508 C HA 0.325 4.771 4.460 -0.024 0.000 0.338 508 C C 1.030 175.988 174.990 -0.054 0.000 1.074 508 C CA -0.817 58.202 59.018 0.001 0.000 1.527 508 C CB -0.937 26.813 27.740 0.017 0.000 1.915 508 C HN 0.977 nan 8.230 nan 0.000 0.453 509 D N 0.341 120.719 120.400 -0.036 0.000 2.368 509 D HA 0.229 4.855 4.640 -0.024 0.000 0.218 509 D C 1.461 177.719 176.300 -0.070 0.000 1.112 509 D CA 0.474 54.415 54.000 -0.099 0.000 0.834 509 D CB -0.068 40.733 40.800 0.001 0.000 0.953 509 D HN 0.752 nan 8.370 nan 0.000 0.505 510 G N -0.336 108.439 108.800 -0.041 0.000 2.199 510 G HA2 -0.266 3.680 3.960 -0.024 0.000 0.254 510 G HA3 -0.266 3.680 3.960 -0.024 0.000 0.254 510 G C 0.443 175.345 174.900 0.004 0.000 0.982 510 G CA 0.436 45.522 45.100 -0.023 0.000 0.632 510 G HN 0.488 nan 8.290 nan 0.000 0.529 511 T N 0.903 115.469 114.554 0.019 0.000 2.899 511 T HA 0.471 4.806 4.350 -0.024 0.000 0.284 511 T C 1.010 175.726 174.700 0.026 0.000 1.004 511 T CA 0.040 62.159 62.100 0.031 0.000 1.043 511 T CB 1.292 70.191 68.868 0.051 0.000 1.013 511 T HN 0.022 nan 8.240 nan 0.000 0.518 512 D N 1.191 121.607 120.400 0.026 0.000 2.178 512 D HA -0.081 4.545 4.640 -0.024 0.000 0.201 512 D C 1.868 178.184 176.300 0.027 0.000 0.980 512 D CA 1.195 55.208 54.000 0.022 0.000 0.842 512 D CB 0.041 40.854 40.800 0.021 0.000 0.948 512 D HN 0.575 nan 8.370 nan 0.000 0.472 513 E N 0.979 121.202 120.200 0.037 0.000 2.047 513 E HA -0.057 4.279 4.350 -0.024 0.000 0.191 513 E C 2.108 178.735 176.600 0.044 0.000 0.987 513 E CA 1.141 57.568 56.400 0.044 0.000 0.799 513 E CB -0.371 29.362 29.700 0.056 0.000 0.752 513 E HN 0.219 nan 8.360 nan 0.000 0.449 514 A N 1.196 124.043 122.820 0.045 0.000 1.917 514 A HA -0.191 4.115 4.320 -0.024 0.000 0.219 514 A C 2.391 179.991 177.584 0.026 0.000 1.182 514 A CA 2.112 54.174 52.037 0.041 0.000 0.633 514 A CB -0.986 18.039 19.000 0.041 0.000 0.819 514 A HN 0.296 nan 8.150 nan 0.000 0.448 515 A N 0.680 123.511 122.820 0.018 0.000 1.902 515 A HA -0.187 4.119 4.320 -0.024 0.000 0.217 515 A C 1.966 179.554 177.584 0.007 0.000 1.181 515 A CA 1.745 53.786 52.037 0.007 0.000 0.623 515 A CB -0.669 18.332 19.000 0.002 0.000 0.818 515 A HN 0.803 nan 8.150 nan 0.000 0.443 516 E N -0.148 120.061 120.200 0.015 0.000 2.106 516 E HA -0.203 4.133 4.350 -0.024 0.000 0.192 516 E C 2.093 178.704 176.600 0.018 0.000 0.984 516 E CA 1.013 57.422 56.400 0.015 0.000 0.806 516 E CB -0.371 29.341 29.700 0.020 0.000 0.750 516 E HN 0.586 nan 8.360 nan 0.000 0.458 517 R N 0.213 120.729 120.500 0.026 0.000 2.081 517 R HA -0.077 4.249 4.340 -0.024 0.000 0.235 517 R C 2.363 178.673 176.300 0.016 0.000 1.131 517 R CA 1.233 57.350 56.100 0.029 0.000 0.960 517 R CB -0.268 30.056 30.300 0.040 0.000 0.856 517 R HN 0.206 nan 8.270 nan 0.000 0.436 518 I N 1.040 121.617 120.570 0.011 0.000 2.163 518 I HA -0.224 3.931 4.170 -0.024 0.000 0.243 518 I C 2.519 178.631 176.117 -0.010 0.000 1.085 518 I CA 1.323 62.624 61.300 0.002 0.000 1.347 518 I CB -1.470 36.528 38.000 -0.004 0.000 1.044 518 I HN 0.146 nan 8.210 nan 0.000 0.408 519 A N 0.615 123.427 122.820 -0.013 0.000 1.908 519 A HA -0.210 4.096 4.320 -0.024 0.000 0.218 519 A C 2.505 180.077 177.584 -0.020 0.000 1.181 519 A CA 1.435 53.458 52.037 -0.023 0.000 0.627 519 A CB -0.485 18.503 19.000 -0.019 0.000 0.818 519 A HN 0.341 nan 8.150 nan 0.000 0.445 520 R N -0.537 119.958 120.500 -0.008 0.000 2.061 520 R HA -0.102 4.224 4.340 -0.024 0.000 0.230 520 R C 2.280 178.575 176.300 -0.008 0.000 1.140 520 R CA 1.826 57.923 56.100 -0.005 0.000 0.940 520 R CB -0.859 29.445 30.300 0.007 0.000 0.839 520 R HN 0.595 nan 8.270 nan 0.000 0.429 521 V N -0.858 119.053 119.914 -0.004 0.000 2.453 521 V HA -0.080 4.026 4.120 -0.024 0.000 0.247 521 V C 1.984 178.070 176.094 -0.012 0.000 1.048 521 V CA 1.505 63.802 62.300 -0.006 0.000 1.049 521 V CB -0.627 31.194 31.823 -0.003 0.000 0.672 521 V HN 0.194 nan 8.190 nan 0.000 0.457 522 L N 0.315 121.530 121.223 -0.012 0.000 2.554 522 L HA 0.021 4.347 4.340 -0.024 0.000 0.226 522 L C 2.459 179.290 176.870 -0.065 0.000 1.137 522 L CA 1.111 55.936 54.840 -0.025 0.000 0.863 522 L CB -0.648 41.408 42.059 -0.006 0.000 0.985 522 L HN 0.370 nan 8.230 nan 0.000 0.451 523 T N -0.867 113.657 114.554 -0.051 0.000 2.852 523 T HA -0.028 4.308 4.350 -0.024 0.000 0.256 523 T C 1.676 176.349 174.700 -0.044 0.000 1.038 523 T CA 0.846 62.914 62.100 -0.053 0.000 1.141 523 T CB -0.007 68.837 68.868 -0.039 0.000 0.869 523 T HN 0.254 nan 8.240 nan 0.000 0.439 524 N N 1.390 120.073 118.700 -0.030 0.000 2.216 524 N HA -0.062 4.663 4.740 -0.024 0.000 0.183 524 N C 1.625 177.118 175.510 -0.027 0.000 1.017 524 N CA 1.009 54.047 53.050 -0.020 0.000 0.861 524 N CB -0.507 37.975 38.487 -0.009 0.000 0.986 524 N HN 0.378 nan 8.380 nan 0.000 0.428 525 D N 0.754 121.132 120.400 -0.036 0.000 2.084 525 D HA -0.064 4.561 4.640 -0.024 0.000 0.194 525 D C -0.921 175.338 176.300 -0.068 0.000 0.990 525 D CA 1.107 55.079 54.000 -0.046 0.000 0.826 525 D CB -0.674 40.102 40.800 -0.041 0.000 0.971 525 D HN 0.205 nan 8.370 nan 0.000 0.453 526 P HA 0.004 nan 4.420 nan 0.000 0.222 526 P C 1.650 178.901 177.300 -0.082 0.000 1.153 526 P CA 1.426 64.460 63.100 -0.111 0.000 0.798 526 P CB -0.274 31.340 31.700 -0.142 0.000 0.796 527 G N 0.906 109.671 108.800 -0.058 0.000 2.442 527 G HA2 -0.289 3.657 3.960 -0.024 0.000 0.219 527 G HA3 -0.289 3.657 3.960 -0.024 0.000 0.219 527 G C 1.650 176.540 174.900 -0.017 0.000 1.141 527 G CA 1.996 47.075 45.100 -0.035 0.000 0.763 527 G HN 0.405 nan 8.290 nan 0.000 0.554 528 T N -1.482 113.066 114.554 -0.011 0.000 2.915 528 T HA 0.100 4.436 4.350 -0.024 0.000 0.269 528 T C 2.382 177.071 174.700 -0.018 0.000 1.071 528 T CA 1.560 63.673 62.100 0.021 0.000 1.132 528 T CB -0.340 68.557 68.868 0.048 0.000 0.878 528 T HN 0.231 nan 8.240 nan 0.000 0.479 529 G N 0.877 109.647 108.800 -0.050 0.000 2.408 529 G HA2 -0.015 3.930 3.960 -0.024 0.000 0.215 529 G HA3 -0.015 3.930 3.960 -0.024 0.000 0.215 529 G C 1.604 176.523 174.900 0.032 0.000 1.156 529 G CA 0.626 45.699 45.100 -0.044 0.000 0.793 529 G HN 0.465 nan 8.290 nan 0.000 0.535 530 V N 1.278 121.179 119.914 -0.021 0.000 2.343 530 V HA -0.231 3.874 4.120 -0.024 0.000 0.247 530 V C 2.685 178.779 176.094 0.001 0.000 1.051 530 V CA 2.159 64.455 62.300 -0.006 0.000 1.036 530 V CB -0.440 31.367 31.823 -0.026 0.000 0.654 530 V HN 0.497 nan 8.190 nan 0.000 0.451 531 M N -0.189 119.398 119.600 -0.021 0.000 2.065 531 M HA -0.221 4.245 4.480 -0.024 0.000 0.259 531 M C 2.470 178.659 176.300 -0.184 0.000 1.069 531 M CA 2.006 57.288 55.300 -0.031 0.000 1.110 531 M CB -0.395 32.231 32.600 0.043 0.000 1.328 531 M HN 0.154 nan 8.290 nan 0.000 0.405 532 R N -0.505 119.769 120.500 -0.376 0.000 2.081 532 R HA -0.193 4.132 4.340 -0.024 0.000 0.235 532 R C 1.651 177.532 176.300 -0.700 0.000 1.131 532 R CA 2.278 57.779 56.100 -1.000 0.000 0.960 532 R CB -0.824 28.831 30.300 -1.074 0.000 0.856 532 R HN 0.588 nan 8.270 nan 0.000 0.436 533 H N -0.456 118.452 119.070 -0.271 0.000 2.462 533 H HA 0.103 4.645 4.556 -0.024 0.000 0.292 533 H C 1.835 177.204 175.328 0.067 0.000 1.049 533 H CA 1.371 57.398 56.048 -0.034 0.000 1.334 533 H CB -0.010 29.717 29.762 -0.058 0.000 1.404 533 H HN 0.369 nan 8.280 nan 0.000 0.544 534 A N 0.390 123.251 122.820 0.069 0.000 1.969 534 A HA -0.196 4.110 4.320 -0.024 0.000 0.218 534 A C 1.945 179.532 177.584 0.005 0.000 1.169 534 A CA 1.820 53.886 52.037 0.049 0.000 0.635 534 A CB -0.448 18.570 19.000 0.030 0.000 0.810 534 A HN 0.487 nan 8.150 nan 0.000 0.445 535 D N -0.245 120.124 120.400 -0.050 0.000 2.144 535 D HA -0.009 4.617 4.640 -0.024 0.000 0.200 535 D C 1.898 178.180 176.300 -0.030 0.000 0.978 535 D CA 1.291 55.282 54.000 -0.014 0.000 0.833 535 D CB -0.127 40.679 40.800 0.009 0.000 0.961 535 D HN 0.349 nan 8.370 nan 0.000 0.470 536 A N -0.740 122.030 122.820 -0.084 0.000 2.168 536 A HA 0.308 4.614 4.320 -0.024 0.000 0.215 536 A C 1.891 179.350 177.584 -0.209 0.000 1.152 536 A CA 1.291 53.264 52.037 -0.106 0.000 0.716 536 A CB -0.516 18.447 19.000 -0.062 0.000 0.794 536 A HN 0.518 nan 8.150 nan 0.000 0.465 537 G N -2.871 105.841 108.800 -0.146 0.000 2.144 537 G HA2 -0.232 3.713 3.960 -0.024 0.000 0.218 537 G HA3 -0.232 3.713 3.960 -0.024 0.000 0.218 537 G C -0.150 174.623 174.900 -0.212 0.000 0.988 537 G CA -0.045 44.952 45.100 -0.171 0.000 0.659 537 G HN 0.370 nan 8.290 nan 0.000 0.522 538 Y N 1.807 122.109 120.300 0.002 0.000 2.537 538 Y HA 0.250 4.786 4.550 -0.023 0.000 0.339 538 Y C 1.626 177.529 175.900 0.004 0.000 1.066 538 Y CA 0.077 58.184 58.100 0.012 0.000 1.357 538 Y CB 0.602 39.087 38.460 0.043 0.000 1.175 538 Y HN 0.088 nan 8.280 nan 0.000 0.525 539 D N 2.838 123.308 120.400 0.118 0.000 2.178 539 D HA -0.184 4.442 4.640 -0.024 0.000 0.201 539 D C 2.224 178.566 176.300 0.069 0.000 0.980 539 D CA 1.361 55.401 54.000 0.067 0.000 0.842 539 D CB 0.123 40.946 40.800 0.038 0.000 0.948 539 D HN 0.627 nan 8.370 nan 0.000 0.472 540 I N -0.375 120.247 120.570 0.086 0.000 2.286 540 I HA -0.146 4.010 4.170 -0.024 0.000 0.248 540 I C 2.234 178.372 176.117 0.036 0.000 1.115 540 I CA 1.195 62.521 61.300 0.043 0.000 1.392 540 I CB -1.438 36.571 38.000 0.015 0.000 1.065 540 I HN -0.166 nan 8.210 nan 0.000 0.418 541 A N 2.114 124.978 122.820 0.074 0.000 1.872 541 A HA -0.039 4.267 4.320 -0.024 0.000 0.214 541 A C 2.366 179.977 177.584 0.045 0.000 1.187 541 A CA 1.256 53.328 52.037 0.059 0.000 0.614 541 A CB -0.588 18.488 19.000 0.126 0.000 0.826 541 A HN 0.366 nan 8.150 nan 0.000 0.442 542 I N 0.713 121.316 120.570 0.055 0.000 2.163 542 I HA -0.236 3.920 4.170 -0.024 0.000 0.243 542 I C 1.885 178.014 176.117 0.020 0.000 1.085 542 I CA 1.813 63.133 61.300 0.033 0.000 1.347 542 I CB -1.468 36.549 38.000 0.030 0.000 1.044 542 I HN 0.298 nan 8.210 nan 0.000 0.408 543 D N 0.201 120.613 120.400 0.020 0.000 2.104 543 D HA -0.211 4.414 4.640 -0.024 0.000 0.194 543 D C 2.322 178.624 176.300 0.004 0.000 0.994 543 D CA 1.308 55.314 54.000 0.010 0.000 0.830 543 D CB -0.601 40.205 40.800 0.009 0.000 0.959 543 D HN 0.382 nan 8.370 nan 0.000 0.452 544 C N 0.983 120.285 119.300 0.002 0.000 2.429 544 C HA -0.004 4.442 4.460 -0.024 0.000 0.277 544 C C 2.863 177.849 174.990 -0.008 0.000 1.262 544 C CA 1.313 60.327 59.018 -0.008 0.000 1.733 544 C CB -1.112 26.619 27.740 -0.015 0.000 2.010 544 C HN 0.330 nan 8.230 nan 0.000 0.483 545 A N 0.822 123.641 122.820 -0.001 0.000 1.883 545 A HA -0.170 4.136 4.320 -0.024 0.000 0.217 545 A C 2.181 179.765 177.584 -0.001 0.000 1.186 545 A CA 2.012 54.049 52.037 0.000 0.000 0.624 545 A CB -0.487 18.518 19.000 0.009 0.000 0.822 545 A HN 0.607 nan 8.150 nan 0.000 0.444 546 K N 0.083 120.484 120.400 0.001 0.000 2.025 546 K HA -0.116 4.190 4.320 -0.024 0.000 0.207 546 K C 1.778 178.376 176.600 -0.003 0.000 1.049 546 K CA 1.669 57.956 56.287 0.000 0.000 0.933 546 K CB -0.704 31.797 32.500 0.002 0.000 0.714 546 K HN 0.725 nan 8.250 nan 0.000 0.438 547 E N 0.679 120.876 120.200 -0.005 0.000 2.130 547 E HA -0.181 4.155 4.350 -0.024 0.000 0.196 547 E C 1.734 178.327 176.600 -0.012 0.000 0.998 547 E CA 0.990 57.385 56.400 -0.008 0.000 0.806 547 E CB 0.094 29.789 29.700 -0.009 0.000 0.738 547 E HN 0.213 nan 8.360 nan 0.000 0.459 548 Q N -0.952 118.840 119.800 -0.014 0.000 2.319 548 Q HA 0.099 4.425 4.340 -0.024 0.000 0.202 548 Q C 0.787 176.777 176.000 -0.015 0.000 0.896 548 Q CA 0.640 56.431 55.803 -0.019 0.000 0.942 548 Q CB 1.392 30.114 28.738 -0.026 0.000 1.083 548 Q HN 0.386 nan 8.270 nan 0.000 0.510 549 G N 1.628 110.422 108.800 -0.010 0.000 2.246 549 G HA2 -0.263 3.683 3.960 -0.024 0.000 0.273 549 G HA3 -0.263 3.683 3.960 -0.024 0.000 0.273 549 G C 0.011 174.908 174.900 -0.005 0.000 1.055 549 G CA 0.023 45.119 45.100 -0.007 0.000 0.851 549 G HN 0.269 nan 8.290 nan 0.000 0.500 550 L N -0.004 121.217 121.223 -0.003 0.000 2.461 550 L HA 0.301 4.627 4.340 -0.024 0.000 0.272 550 L C 0.518 177.392 176.870 0.007 0.000 1.197 550 L CA -0.344 54.497 54.840 0.001 0.000 0.836 550 L CB 0.634 42.695 42.059 0.003 0.000 1.105 550 L HN 0.158 nan 8.230 nan 0.000 0.477 551 D N 4.206 124.611 120.400 0.010 0.000 2.467 551 D HA 0.308 4.934 4.640 -0.024 0.000 0.220 551 D C -0.779 175.534 176.300 0.021 0.000 1.103 551 D CA -0.193 53.815 54.000 0.012 0.000 0.886 551 D CB 0.371 41.177 40.800 0.009 0.000 1.025 551 D HN 0.270 nan 8.370 nan 0.000 0.514 552 L N 5.557 126.794 121.223 0.024 0.000 2.313 552 L HA 0.327 4.652 4.340 -0.024 0.000 0.273 552 L C -1.202 175.686 176.870 0.030 0.000 1.028 552 L CA -1.570 53.291 54.840 0.035 0.000 0.871 552 L CB 1.538 43.619 42.059 0.038 0.000 1.242 552 L HN 0.148 nan 8.230 nan 0.000 0.434 553 P HA -0.080 nan 4.420 nan 0.000 0.217 553 P C 0.776 178.088 177.300 0.021 0.000 1.148 553 P CA 1.183 64.296 63.100 0.021 0.000 0.828 553 P CB 0.228 31.939 31.700 0.017 0.000 0.783 554 M N 0.000 119.618 119.600 0.030 0.000 2.572 554 M HA 0.000 4.466 4.480 -0.024 0.000 0.227 554 M CA 0.000 55.316 55.300 0.027 0.000 0.988 554 M CB 0.000 32.621 32.600 0.036 0.000 1.302 554 M HN 0.000 nan 8.290 nan 0.000 0.411