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 2r4j_1_B DATA FIRST_RESID 1 DATA SEQUENCE METKDLIVIG GGINGAGIAA DAAGRGLSVL XLEAQDLACA TSSASSKLIH DATA SEQUENCE GGLRYLEHYE FRLVSEALAE REVLLKXAPH IAFPXRFRLP HRPHLRPAWM DATA SEQUENCE IRIGLFMYDH LGKRTSLPGS TGLRFGANSV LKPEIKRGFE YSDCWVDDAR DATA SEQUENCE LVLANAQXVV RKGGEVLTRT RATSARRENG LWIVEAEDID TGKKYSWQAR DATA SEQUENCE GLVNATGPWV KQFFDDGXHL PSPYGIRLIK GSHIVVPRVH TQKQAYILQN DATA SEQUENCE EDKRIVFVIP WXDEFSIIGT TDVEYKGDPK AVKIEESEIN YLLNVYNTHF DATA SEQUENCE KKQLSRDDIV WTYSGVRPLC DDESDSPQAI TRDYTLDIHD ENGKAPLLSV DATA SEQUENCE FGGKLTTYRK LAEHALEKLT PYYQGIGPAW TKESVLPGGA IEGDRDDYAA DATA SEQUENCE RLRRRYPFLT ESLARHYART YGSNSELLLG NAGTVSDLGE DFGHEFYEAE DATA SEQUENCE LKYLVDHEWV RRADDALWRR TKQGXWLNAD QQSRVSQWLV EYTQQRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.354 176.300 0.090 0.000 1.140 1 M CA 0.000 55.339 55.300 0.065 0.000 0.988 1 M CB 0.000 32.634 32.600 0.057 0.000 1.302 2 E N 0.507 120.774 120.200 0.112 0.000 2.338 2 E HA -0.006 4.344 4.350 -0.000 0.000 0.197 2 E C -0.502 176.207 176.600 0.181 0.000 1.007 2 E CA 0.919 57.422 56.400 0.173 0.000 0.849 2 E CB -0.314 29.507 29.700 0.202 0.000 0.774 2 E HN 0.728 nan 8.360 nan 0.000 0.506 3 T N 1.699 116.336 114.554 0.139 0.000 2.727 3 T HA 0.292 4.642 4.350 -0.000 0.000 0.295 3 T C -0.389 174.375 174.700 0.106 0.000 0.915 3 T CA -0.404 61.775 62.100 0.132 0.000 1.066 3 T CB 0.460 69.398 68.868 0.117 0.000 0.891 3 T HN 0.093 nan 8.240 nan 0.000 0.516 4 K N 2.489 122.944 120.400 0.091 0.000 5.317 4 K HA -0.114 4.206 4.320 -0.000 0.000 0.733 4 K C 0.015 176.680 176.600 0.108 0.000 1.375 4 K CA 0.063 56.395 56.287 0.076 0.000 1.538 4 K CB -0.922 31.628 32.500 0.083 0.000 2.164 4 K HN 0.606 nan 8.250 nan 0.000 0.332 5 D N 0.570 121.032 120.400 0.104 0.000 2.103 5 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 5 D C 0.381 176.806 176.300 0.209 0.000 0.978 5 D CA 0.980 55.108 54.000 0.215 0.000 0.829 5 D CB 0.182 41.063 40.800 0.135 0.000 0.981 5 D HN 0.267 nan 8.370 nan 0.000 0.464 6 L N 0.602 121.848 121.223 0.039 0.000 2.438 6 L HA 0.406 4.746 4.340 -0.000 0.000 0.270 6 L C -1.300 175.516 176.870 -0.090 0.000 0.972 6 L CA -0.485 54.350 54.840 -0.008 0.000 0.831 6 L CB 1.935 43.939 42.059 -0.092 0.000 1.273 6 L HN -0.187 nan 8.230 nan 0.000 0.405 7 I N 5.261 125.759 120.570 -0.119 0.000 2.377 7 I HA 0.474 4.643 4.170 -0.000 0.000 0.293 7 I C -0.706 175.267 176.117 -0.240 0.000 0.987 7 I CA -0.946 60.227 61.300 -0.212 0.000 1.185 7 I CB 1.886 39.749 38.000 -0.227 0.000 1.341 7 I HN 0.219 nan 8.210 nan 0.000 0.455 8 V N 7.469 127.229 119.914 -0.257 0.000 2.384 8 V HA 0.414 4.534 4.120 -0.000 0.000 0.287 8 V C 0.095 176.006 176.094 -0.306 0.000 1.020 8 V CA -0.462 61.686 62.300 -0.254 0.000 0.850 8 V CB 1.785 33.483 31.823 -0.209 0.000 0.987 8 V HN 0.475 nan 8.190 nan 0.000 0.436 9 I N 4.607 124.970 120.570 -0.345 0.000 2.328 9 I HA 0.734 4.904 4.170 -0.000 0.000 0.287 9 I C 0.600 176.498 176.117 -0.364 0.000 1.012 9 I CA -0.082 60.967 61.300 -0.417 0.000 1.195 9 I CB 1.376 39.007 38.000 -0.615 0.000 1.350 9 I HN 0.860 nan 8.210 nan 0.000 0.464 10 G N 3.526 112.134 108.800 -0.319 0.000 3.088 10 G HA2 0.107 4.067 3.960 -0.000 0.000 0.620 10 G HA3 0.107 4.067 3.960 -0.000 0.000 0.620 10 G C -0.172 174.588 174.900 -0.234 0.000 1.375 10 G CA -0.508 44.437 45.100 -0.260 0.000 1.016 10 G HN 0.886 nan 8.290 nan 0.000 0.590 11 G N 0.336 109.002 108.800 -0.223 0.000 4.044 11 G HA2 0.677 4.637 3.960 -0.000 0.000 0.297 11 G HA3 0.677 4.637 3.960 -0.000 0.000 0.297 11 G C 0.707 175.495 174.900 -0.186 0.000 1.101 11 G CA 0.857 45.821 45.100 -0.227 0.000 0.884 11 G HN 1.214 nan 8.290 nan 0.000 0.538 12 G N -0.217 108.490 108.800 -0.155 0.000 2.642 12 G HA2 0.412 4.371 3.960 -0.000 0.000 0.291 12 G HA3 0.412 4.371 3.960 -0.000 0.000 0.291 12 G C 0.825 175.626 174.900 -0.164 0.000 1.345 12 G CA -0.602 44.418 45.100 -0.134 0.000 1.043 12 G HN 0.008 nan 8.290 nan 0.000 0.528 13 I N 0.177 120.643 120.570 -0.173 0.000 2.248 13 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 13 I C 2.057 178.058 176.117 -0.193 0.000 1.107 13 I CA 1.316 62.463 61.300 -0.255 0.000 1.373 13 I CB -0.217 37.607 38.000 -0.294 0.000 1.055 13 I HN 0.395 nan 8.210 nan 0.000 0.418 14 N N 0.223 118.855 118.700 -0.113 0.000 2.333 14 N HA -0.002 4.738 4.740 -0.000 0.000 0.178 14 N C 1.879 177.338 175.510 -0.085 0.000 1.018 14 N CA 1.161 54.170 53.050 -0.068 0.000 0.882 14 N CB -0.505 37.938 38.487 -0.072 0.000 0.984 14 N HN 0.499 nan 8.380 nan 0.000 0.434 15 G N 0.840 109.568 108.800 -0.121 0.000 2.402 15 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 15 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 15 G C 1.611 176.427 174.900 -0.139 0.000 1.162 15 G CA 0.958 45.973 45.100 -0.142 0.000 0.777 15 G HN 0.398 nan 8.290 nan 0.000 0.539 16 A N 0.658 123.385 122.820 -0.154 0.000 1.970 16 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 16 A C 2.611 180.146 177.584 -0.081 0.000 1.170 16 A CA 1.785 53.731 52.037 -0.151 0.000 0.645 16 A CB -0.743 18.139 19.000 -0.197 0.000 0.816 16 A HN 0.445 nan 8.150 nan 0.000 0.447 17 G N 0.369 109.144 108.800 -0.041 0.000 2.414 17 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 17 G C 1.507 176.439 174.900 0.052 0.000 1.188 17 G CA 1.085 46.264 45.100 0.131 0.000 0.783 17 G HN 0.440 nan 8.290 nan 0.000 0.537 18 I N 1.650 122.220 120.570 0.001 0.000 2.151 18 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 18 I C 3.305 179.407 176.117 -0.026 0.000 1.080 18 I CA 1.240 62.524 61.300 -0.027 0.000 1.339 18 I CB -0.245 37.722 38.000 -0.054 0.000 1.039 18 I HN 0.245 nan 8.210 nan 0.000 0.409 19 A N 0.559 123.350 122.820 -0.048 0.000 1.902 19 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 19 A C 2.534 180.125 177.584 0.012 0.000 1.181 19 A CA 1.958 53.963 52.037 -0.053 0.000 0.623 19 A CB -0.895 18.043 19.000 -0.103 0.000 0.818 19 A HN 0.449 nan 8.150 nan 0.000 0.443 20 A N -0.294 122.553 122.820 0.045 0.000 1.855 20 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 20 A C 1.967 179.716 177.584 0.276 0.000 1.191 20 A CA 1.914 54.035 52.037 0.140 0.000 0.613 20 A CB -0.697 18.374 19.000 0.118 0.000 0.829 20 A HN 0.501 nan 8.150 nan 0.000 0.442 21 D N 0.180 120.672 120.400 0.153 0.000 2.137 21 D HA -0.190 4.450 4.640 -0.000 0.000 0.189 21 D C 2.207 178.701 176.300 0.324 0.000 0.998 21 D CA 2.045 56.168 54.000 0.205 0.000 0.839 21 D CB -0.399 40.398 40.800 -0.005 0.000 0.962 21 D HN 0.313 nan 8.370 nan 0.000 0.446 22 A N 0.909 123.805 122.820 0.126 0.000 1.903 22 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 22 A C 2.435 180.044 177.584 0.041 0.000 1.191 22 A CA 3.217 55.279 52.037 0.041 0.000 0.638 22 A CB -1.076 17.888 19.000 -0.059 0.000 0.823 22 A HN 0.379 nan 8.150 nan 0.000 0.451 23 A N -1.054 121.804 122.820 0.064 0.000 2.019 23 A HA 0.212 4.532 4.320 -0.000 0.000 0.219 23 A C 1.986 179.543 177.584 -0.045 0.000 1.164 23 A CA 1.568 53.610 52.037 0.008 0.000 0.644 23 A CB -0.853 18.163 19.000 0.027 0.000 0.805 23 A HN 0.930 nan 8.150 nan 0.000 0.449 24 G N -1.423 107.364 108.800 -0.023 0.000 3.518 24 G HA2 0.330 4.289 3.960 -0.000 0.000 0.273 24 G HA3 0.330 4.289 3.960 -0.000 0.000 0.273 24 G C 0.888 175.467 174.900 -0.536 0.000 1.199 24 G CA -0.265 44.541 45.100 -0.489 0.000 0.899 24 G HN 0.453 nan 8.290 nan 0.000 0.533 25 R N -0.947 119.447 120.500 -0.176 0.000 2.541 25 R HA 0.262 4.602 4.340 -0.000 0.000 0.332 25 R C 1.421 177.662 176.300 -0.099 0.000 0.951 25 R CA 0.384 56.419 56.100 -0.108 0.000 1.136 25 R CB 1.127 31.442 30.300 0.027 0.000 1.449 25 R HN 0.315 nan 8.270 nan 0.000 0.531 26 G N 1.327 110.058 108.800 -0.115 0.000 2.195 26 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 26 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 26 G C 0.155 175.012 174.900 -0.071 0.000 0.990 26 G CA -0.393 44.656 45.100 -0.085 0.000 0.639 26 G HN 0.082 nan 8.290 nan 0.000 0.514 27 L N 2.214 123.374 121.223 -0.106 0.000 2.456 27 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 27 L C 1.053 177.878 176.870 -0.076 0.000 1.189 27 L CA 0.228 54.991 54.840 -0.130 0.000 0.846 27 L CB 0.846 42.738 42.059 -0.279 0.000 1.111 27 L HN 0.357 nan 8.230 nan 0.000 0.475 28 S N 1.969 117.643 115.700 -0.043 0.000 2.422 28 S HA 0.469 4.939 4.470 -0.000 0.000 0.283 28 S C -0.223 174.343 174.600 -0.057 0.000 1.163 28 S CA -0.898 57.283 58.200 -0.032 0.000 1.054 28 S CB 0.761 63.961 63.200 -0.000 0.000 0.967 28 S HN 0.321 nan 8.310 nan 0.000 0.499 29 V N 4.480 124.349 119.914 -0.074 0.000 2.581 29 V HA 0.659 4.778 4.120 -0.000 0.000 0.303 29 V C -0.106 175.900 176.094 -0.146 0.000 1.041 29 V CA -0.779 61.456 62.300 -0.107 0.000 0.907 29 V CB 1.473 33.239 31.823 -0.095 0.000 0.994 29 V HN 0.873 nan 8.190 nan 0.000 0.442 33 E N 1.143 121.187 120.200 -0.260 0.000 2.263 33 E HA 0.681 5.031 4.350 -0.000 0.000 0.268 33 E C 0.049 176.528 176.600 -0.202 0.000 0.884 33 E CA 0.101 56.353 56.400 -0.246 0.000 0.766 33 E CB 2.211 31.759 29.700 -0.253 0.000 1.196 33 E HN 0.612 nan 8.360 nan 0.000 0.416 34 A N 4.165 126.849 122.820 -0.227 0.000 1.933 34 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 34 A C 1.575 179.074 177.584 -0.142 0.000 1.175 34 A CA 1.809 53.730 52.037 -0.194 0.000 0.628 34 A CB -0.167 18.662 19.000 -0.284 0.000 0.814 34 A HN 0.693 nan 8.150 nan 0.000 0.444 35 Q N -1.870 117.841 119.800 -0.148 0.000 1.989 35 Q HA 0.181 4.521 4.340 -0.000 0.000 0.166 35 Q C -0.855 175.110 176.000 -0.058 0.000 0.536 35 Q CA -0.110 55.642 55.803 -0.084 0.000 0.651 35 Q CB 0.567 29.259 28.738 -0.075 0.000 1.468 35 Q HN 0.464 nan 8.270 nan 0.000 0.350 36 D N -0.220 120.149 120.400 -0.050 0.000 2.423 36 D HA 0.374 5.014 4.640 -0.000 0.000 0.235 36 D C -0.913 175.343 176.300 -0.073 0.000 1.011 36 D CA -0.551 53.433 54.000 -0.027 0.000 0.963 36 D CB 1.316 42.134 40.800 0.030 0.000 1.349 36 D HN 0.254 nan 8.370 nan 0.000 0.508 37 L N 1.720 122.888 121.223 -0.092 0.000 2.499 37 L HA 0.323 4.663 4.340 -0.000 0.000 0.273 37 L C 1.347 178.173 176.870 -0.074 0.000 1.195 37 L CA 0.301 55.061 54.840 -0.133 0.000 0.882 37 L CB 0.452 42.414 42.059 -0.160 0.000 1.133 37 L HN 0.761 nan 8.230 nan 0.000 0.483 38 A N 1.618 124.385 122.820 -0.089 0.000 2.861 38 A HA -0.263 4.057 4.320 -0.000 0.000 0.261 38 A C 1.537 179.110 177.584 -0.019 0.000 1.351 38 A CA 1.075 53.077 52.037 -0.058 0.000 0.904 38 A CB -2.399 16.570 19.000 -0.052 0.000 1.076 38 A HN 1.102 nan 8.150 nan 0.000 0.729 39 C N -2.652 116.639 119.300 -0.016 0.000 2.466 39 C HA 0.550 5.010 4.460 -0.000 0.000 0.283 39 C C 1.746 176.760 174.990 0.040 0.000 1.472 39 C CA 0.708 59.734 59.018 0.015 0.000 1.765 39 C CB -1.708 26.033 27.740 0.002 0.000 1.724 39 C HN 1.854 nan 8.230 nan 0.000 0.560 40 A N 1.137 123.988 122.820 0.052 0.000 3.191 40 A HA 0.502 4.822 4.320 -0.000 0.000 0.191 40 A C 1.709 179.323 177.584 0.050 0.000 1.221 40 A CA 0.746 52.847 52.037 0.107 0.000 1.399 40 A CB -0.986 18.188 19.000 0.289 0.000 1.688 40 A HN 0.216 nan 8.150 nan 0.000 0.593 41 T N 1.133 115.721 114.554 0.057 0.000 2.699 41 T HA -0.129 4.220 4.350 -0.000 0.000 0.268 41 T C 1.854 176.544 174.700 -0.016 0.000 1.036 41 T CA 2.202 64.304 62.100 0.005 0.000 1.147 41 T CB -0.476 68.390 68.868 -0.004 0.000 0.862 41 T HN 0.384 nan 8.240 nan 0.000 0.446 42 S N 1.351 117.034 115.700 -0.029 0.000 2.537 42 S HA -0.029 4.441 4.470 -0.000 0.000 0.240 42 S C 1.946 176.496 174.600 -0.083 0.000 0.981 42 S CA 0.920 59.079 58.200 -0.067 0.000 0.948 42 S CB -0.294 62.853 63.200 -0.089 0.000 0.759 42 S HN 0.735 nan 8.310 nan 0.000 0.531 43 S N -0.317 115.344 115.700 -0.065 0.000 2.593 43 S HA 0.559 5.029 4.470 -0.000 0.000 0.236 43 S C 0.672 175.179 174.600 -0.155 0.000 0.991 43 S CA -0.044 58.101 58.200 -0.092 0.000 0.963 43 S CB 0.636 63.814 63.200 -0.036 0.000 0.865 43 S HN 0.322 nan 8.310 nan 0.000 0.488 44 A N 1.535 124.302 122.820 -0.089 0.000 2.631 44 A HA 0.641 4.961 4.320 -0.000 0.000 0.294 44 A C 0.759 178.408 177.584 0.107 0.000 1.156 44 A CA -0.123 51.917 52.037 0.005 0.000 0.963 44 A CB -0.165 18.889 19.000 0.089 0.000 1.202 44 A HN 0.589 nan 8.150 nan 0.000 0.523 45 S N -1.011 114.668 115.700 -0.035 0.000 2.681 45 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 45 S C 0.881 175.402 174.600 -0.132 0.000 1.209 45 S CA 0.367 58.557 58.200 -0.016 0.000 0.988 45 S CB 1.092 64.244 63.200 -0.079 0.000 1.006 45 S HN 0.175 nan 8.310 nan 0.000 0.558 46 S N 0.305 115.974 115.700 -0.051 0.000 2.603 46 S HA 0.150 4.620 4.470 -0.000 0.000 0.220 46 S C -0.049 174.399 174.600 -0.253 0.000 0.967 46 S CA 0.098 58.251 58.200 -0.077 0.000 0.920 46 S CB -0.720 62.548 63.200 0.114 0.000 0.773 46 S HN 0.787 nan 8.310 nan 0.000 0.529 47 K N 0.360 120.555 120.400 -0.342 0.000 3.167 47 K HA -0.126 4.193 4.320 -0.000 0.000 0.272 47 K C -0.995 175.216 176.600 -0.649 0.000 1.137 47 K CA 0.442 56.376 56.287 -0.589 0.000 0.800 47 K CB -1.978 30.008 32.500 -0.857 0.000 1.253 47 K HN 0.342 nan 8.250 nan 0.000 0.497 48 L N 0.816 121.803 121.223 -0.394 0.000 2.341 48 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 48 L C 0.267 177.067 176.870 -0.116 0.000 1.005 48 L CA -1.044 53.626 54.840 -0.283 0.000 0.818 48 L CB 1.452 43.244 42.059 -0.444 0.000 1.259 48 L HN 0.047 nan 8.230 nan 0.000 0.418 49 I N 3.948 124.500 120.570 -0.031 0.000 2.281 49 I HA 0.223 4.392 4.170 -0.000 0.000 0.293 49 I C -0.228 175.982 176.117 0.155 0.000 1.085 49 I CA -0.369 60.972 61.300 0.069 0.000 1.257 49 I CB -0.091 37.927 38.000 0.030 0.000 1.430 49 I HN 0.573 nan 8.210 nan 0.000 0.489 50 H N 3.746 122.808 119.070 -0.015 0.000 2.797 50 H HA 0.499 5.055 4.556 -0.000 0.000 0.372 50 H C 0.484 175.831 175.328 0.031 0.000 1.168 50 H CA -1.420 54.633 56.048 0.009 0.000 1.163 50 H CB 1.367 31.096 29.762 -0.055 0.000 1.778 50 H HN 0.444 nan 8.280 nan 0.000 0.551 51 G N -0.355 108.427 108.800 -0.030 0.000 2.453 51 G HA2 0.308 4.268 3.960 -0.000 0.000 0.215 51 G HA3 0.308 4.268 3.960 -0.000 0.000 0.215 51 G C 0.696 175.482 174.900 -0.189 0.000 1.147 51 G CA 0.124 45.089 45.100 -0.225 0.000 0.802 51 G HN 1.387 nan 8.290 nan 0.000 0.535 52 G N -0.364 108.330 108.800 -0.177 0.000 3.002 52 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.224 52 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.224 52 G C 0.531 175.257 174.900 -0.291 0.000 1.013 52 G CA 0.052 44.832 45.100 -0.534 0.000 1.200 52 G HN 0.259 nan 8.290 nan 0.000 0.589 53 L N 1.080 122.197 121.223 -0.177 0.000 2.017 53 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 53 L C 3.179 179.911 176.870 -0.230 0.000 1.073 53 L CA 2.456 57.140 54.840 -0.261 0.000 0.745 53 L CB -0.177 41.544 42.059 -0.564 0.000 0.894 53 L HN 0.782 nan 8.230 nan 0.000 0.432 54 R N -1.395 118.946 120.500 -0.265 0.000 2.241 54 R HA -0.203 4.137 4.340 -0.000 0.000 0.224 54 R C 1.784 178.123 176.300 0.064 0.000 1.101 54 R CA 1.296 57.321 56.100 -0.126 0.000 0.995 54 R CB -0.696 29.566 30.300 -0.062 0.000 0.870 54 R HN 0.324 nan 8.270 nan 0.000 0.463 55 Y N 0.623 120.959 120.300 0.060 0.000 2.509 55 Y HA 0.016 4.566 4.550 -0.000 0.000 0.293 55 Y C 1.911 177.805 175.900 -0.010 0.000 1.133 55 Y CA -0.433 57.705 58.100 0.063 0.000 1.283 55 Y CB -0.390 38.078 38.460 0.014 0.000 1.001 55 Y HN -0.017 nan 8.280 nan 0.000 0.555 56 L N 0.545 121.823 121.223 0.092 0.000 2.042 56 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 56 L C 2.178 178.955 176.870 -0.155 0.000 1.076 56 L CA 1.502 56.373 54.840 0.053 0.000 0.749 56 L CB -1.245 40.885 42.059 0.118 0.000 0.893 56 L HN 0.265 nan 8.230 nan 0.000 0.432 57 E N -1.120 118.931 120.200 -0.248 0.000 2.171 57 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 57 E C 0.881 176.989 176.600 -0.819 0.000 0.997 57 E CA 1.266 57.359 56.400 -0.511 0.000 0.810 57 E CB -0.074 29.327 29.700 -0.499 0.000 0.738 57 E HN 0.646 nan 8.360 nan 0.000 0.467 58 H N -1.322 117.518 119.070 -0.384 0.000 2.524 58 H HA 0.134 4.690 4.556 -0.000 0.000 0.299 58 H C -1.046 174.098 175.328 -0.307 0.000 1.074 58 H CA -0.350 55.497 56.048 -0.335 0.000 1.115 58 H CB -0.413 29.261 29.762 -0.147 0.000 1.522 58 H HN 0.090 nan 8.280 nan 0.000 0.543 59 Y N 0.962 121.131 120.300 -0.218 0.000 2.783 59 Y HA -0.289 4.260 4.550 -0.000 0.000 0.143 59 Y C 0.141 175.700 175.900 -0.569 0.000 1.735 59 Y CA 0.143 57.883 58.100 -0.599 0.000 1.154 59 Y CB -0.650 37.553 38.460 -0.430 0.000 1.768 59 Y HN 0.483 nan 8.280 nan 0.000 0.305 60 E N 2.340 122.248 120.200 -0.487 0.000 4.090 60 E HA 0.133 4.482 4.350 -0.000 0.000 0.235 60 E C -0.071 176.483 176.600 -0.078 0.000 1.187 60 E CA -0.076 56.201 56.400 -0.204 0.000 1.308 60 E CB -0.106 29.559 29.700 -0.058 0.000 1.222 60 E HN 0.476 nan 8.360 nan 0.000 0.414 61 F N 0.656 120.652 119.950 0.076 0.000 2.206 61 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 61 F C 2.533 178.340 175.800 0.010 0.000 1.090 61 F CA 0.985 59.016 58.000 0.051 0.000 1.323 61 F CB -0.458 38.577 39.000 0.057 0.000 1.028 61 F HN 0.213 nan 8.300 nan 0.000 0.492 62 R N 0.831 121.420 120.500 0.148 0.000 2.091 62 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 62 R C 2.078 178.390 176.300 0.020 0.000 1.136 62 R CA 1.616 57.748 56.100 0.053 0.000 0.959 62 R CB -1.120 29.168 30.300 -0.020 0.000 0.856 62 R HN 0.329 nan 8.270 nan 0.000 0.437 63 L N 1.120 122.347 121.223 0.006 0.000 1.988 63 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 63 L C 2.246 179.144 176.870 0.047 0.000 1.071 63 L CA 1.748 56.591 54.840 0.004 0.000 0.744 63 L CB -0.587 41.457 42.059 -0.024 0.000 0.893 63 L HN 0.260 nan 8.230 nan 0.000 0.433 64 V N -0.222 119.749 119.914 0.095 0.000 2.392 64 V HA -0.271 3.848 4.120 -0.000 0.000 0.249 64 V C 2.950 179.037 176.094 -0.012 0.000 1.059 64 V CA 1.815 64.154 62.300 0.064 0.000 1.051 64 V CB -0.824 31.087 31.823 0.147 0.000 0.658 64 V HN 0.556 nan 8.190 nan 0.000 0.455 65 S N -0.571 115.150 115.700 0.035 0.000 2.348 65 S HA -0.285 4.185 4.470 -0.000 0.000 0.221 65 S C 2.136 176.716 174.600 -0.033 0.000 1.033 65 S CA 2.049 60.244 58.200 -0.008 0.000 1.010 65 S CB -0.343 62.873 63.200 0.027 0.000 0.891 65 S HN 0.712 nan 8.310 nan 0.000 0.442 66 E N 0.075 120.267 120.200 -0.013 0.000 2.118 66 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 66 E C 2.014 178.593 176.600 -0.034 0.000 0.992 66 E CA 1.152 57.542 56.400 -0.016 0.000 0.804 66 E CB -0.314 29.392 29.700 0.009 0.000 0.741 66 E HN 0.628 nan 8.360 nan 0.000 0.458 67 A N 0.605 123.400 122.820 -0.041 0.000 1.935 67 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 67 A C 2.151 179.674 177.584 -0.102 0.000 1.178 67 A CA 0.365 52.368 52.037 -0.056 0.000 0.640 67 A CB -0.440 18.526 19.000 -0.058 0.000 0.825 67 A HN 0.241 nan 8.150 nan 0.000 0.447 68 L N -0.458 120.667 121.223 -0.163 0.000 2.043 68 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 68 L C 3.036 179.829 176.870 -0.129 0.000 1.075 68 L CA 1.270 55.975 54.840 -0.225 0.000 0.752 68 L CB -0.457 41.404 42.059 -0.331 0.000 0.891 68 L HN 0.454 nan 8.230 nan 0.000 0.432 69 A N -0.923 121.841 122.820 -0.093 0.000 1.929 69 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 69 A C 2.177 179.729 177.584 -0.053 0.000 1.176 69 A CA 1.076 53.075 52.037 -0.063 0.000 0.628 69 A CB -0.263 18.706 19.000 -0.051 0.000 0.816 69 A HN 0.281 nan 8.150 nan 0.000 0.444 70 E N 0.328 120.494 120.200 -0.057 0.000 2.204 70 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 70 E C 2.137 178.716 176.600 -0.035 0.000 0.990 70 E CA 0.719 57.085 56.400 -0.058 0.000 0.821 70 E CB -0.292 29.367 29.700 -0.068 0.000 0.750 70 E HN 0.652 nan 8.360 nan 0.000 0.477 71 R N 0.704 121.189 120.500 -0.025 0.000 2.091 71 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 71 R C 2.163 178.473 176.300 0.016 0.000 1.136 71 R CA 1.348 57.451 56.100 0.005 0.000 0.959 71 R CB -0.239 30.069 30.300 0.014 0.000 0.856 71 R HN 0.258 nan 8.270 nan 0.000 0.437 72 E N 0.599 120.803 120.200 0.007 0.000 2.152 72 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 72 E C 2.129 178.738 176.600 0.014 0.000 0.983 72 E CA 1.062 57.474 56.400 0.019 0.000 0.818 72 E CB -0.044 29.665 29.700 0.016 0.000 0.758 72 E HN 0.149 nan 8.360 nan 0.000 0.467 73 V N 2.021 121.930 119.914 -0.007 0.000 2.343 73 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 73 V C 2.349 178.441 176.094 -0.004 0.000 1.051 73 V CA 1.374 63.663 62.300 -0.017 0.000 1.036 73 V CB -0.427 31.365 31.823 -0.052 0.000 0.654 73 V HN 0.255 nan 8.190 nan 0.000 0.451 74 L N -0.941 120.284 121.223 0.004 0.000 2.131 74 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 74 L C 2.387 179.290 176.870 0.055 0.000 1.087 74 L CA 1.168 56.028 54.840 0.033 0.000 0.767 74 L CB -0.508 41.580 42.059 0.048 0.000 0.917 74 L HN 0.306 nan 8.230 nan 0.000 0.441 75 L N -0.296 120.961 121.223 0.057 0.000 2.127 75 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 75 L C 1.509 178.431 176.870 0.087 0.000 1.089 75 L CA 1.089 55.978 54.840 0.082 0.000 0.757 75 L CB -0.456 41.656 42.059 0.089 0.000 0.899 75 L HN 0.239 nan 8.230 nan 0.000 0.434 79 P HA -0.193 nan 4.420 nan 0.000 0.225 79 P C 1.193 178.626 177.300 0.222 0.000 1.148 79 P CA 1.547 64.760 63.100 0.189 0.000 0.779 79 P CB -0.298 31.495 31.700 0.155 0.000 0.780 80 H N 0.910 120.020 119.070 0.066 0.000 2.423 80 H HA -0.023 4.533 4.556 -0.000 0.000 0.297 80 H C 1.793 177.209 175.328 0.146 0.000 1.075 80 H CA 1.207 57.289 56.048 0.058 0.000 1.342 80 H CB -1.130 28.620 29.762 -0.018 0.000 1.395 80 H HN 0.284 nan 8.280 nan 0.000 0.530 81 I N -2.296 118.114 120.570 -0.268 0.000 4.139 81 I HA 0.625 4.794 4.170 -0.000 0.000 0.335 81 I C 0.634 176.843 176.117 0.153 0.000 1.327 81 I CA -0.409 60.830 61.300 -0.102 0.000 1.112 81 I CB 0.598 38.385 38.000 -0.354 0.000 1.058 81 I HN 0.213 nan 8.210 nan 0.000 0.396 82 A N 2.038 124.957 122.820 0.165 0.000 2.371 82 A HA 0.835 5.155 4.320 -0.000 0.000 0.311 82 A C -0.947 176.827 177.584 0.317 0.000 1.068 82 A CA -0.413 51.713 52.037 0.149 0.000 0.744 82 A CB 1.118 20.145 19.000 0.045 0.000 1.239 82 A HN 0.408 nan 8.150 nan 0.000 0.435 83 F N -0.085 119.997 119.950 0.221 0.000 2.668 83 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 83 F C -3.219 172.687 175.800 0.177 0.000 1.117 83 F CA -2.627 55.473 58.000 0.166 0.000 0.951 83 F CB 0.483 39.563 39.000 0.133 0.000 1.323 83 F HN 0.323 nan 8.300 nan 0.000 0.451 87 F N 1.257 120.956 119.950 -0.418 0.000 2.482 87 F HA 0.546 5.072 4.527 -0.000 0.000 0.331 87 F C 0.630 176.215 175.800 -0.358 0.000 1.115 87 F CA -0.711 57.038 58.000 -0.418 0.000 0.955 87 F CB 1.724 40.337 39.000 -0.644 0.000 1.136 87 F HN 0.051 nan 8.300 nan 0.000 0.452 88 R N 2.919 123.305 120.500 -0.191 0.000 2.229 88 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 88 R C -1.229 175.151 176.300 0.134 0.000 0.989 88 R CA -0.993 55.039 56.100 -0.113 0.000 0.842 88 R CB 1.503 31.509 30.300 -0.490 0.000 1.119 88 R HN 0.459 nan 8.270 nan 0.000 0.456 89 L N 6.251 127.673 121.223 0.332 0.000 2.288 89 L HA 0.357 4.697 4.340 -0.000 0.000 0.283 89 L C -2.392 174.758 176.870 0.467 0.000 1.072 89 L CA -2.145 52.928 54.840 0.390 0.000 0.862 89 L CB 0.630 42.945 42.059 0.426 0.000 1.245 89 L HN 0.395 nan 8.230 nan 0.000 0.432 90 P HA 0.008 nan 4.420 nan 0.000 0.269 90 P C -1.078 176.460 177.300 0.397 0.000 1.215 90 P CA 0.098 63.418 63.100 0.367 0.000 0.780 90 P CB 0.313 32.127 31.700 0.190 0.000 0.898 91 H N 3.625 122.861 119.070 0.277 0.000 2.489 91 H HA 0.347 4.903 4.556 -0.000 0.000 0.322 91 H C -0.291 175.116 175.328 0.132 0.000 1.091 91 H CA -0.482 55.715 56.048 0.248 0.000 1.291 91 H CB 0.707 30.619 29.762 0.250 0.000 1.436 91 H HN 0.315 nan 8.280 nan 0.000 0.480 92 R N 6.183 126.500 120.500 -0.306 0.000 2.607 92 R HA 0.165 4.504 4.340 -0.000 0.000 0.278 92 R C -2.120 173.907 176.300 -0.456 0.000 1.637 92 R CA -1.602 54.338 56.100 -0.266 0.000 1.325 92 R CB 1.684 31.856 30.300 -0.213 0.000 1.211 92 R HN 0.557 nan 8.270 nan 0.000 0.565 93 P HA -0.192 nan 4.420 nan 0.000 0.223 93 P C 0.985 178.217 177.300 -0.114 0.000 1.151 93 P CA 1.147 64.062 63.100 -0.308 0.000 0.787 93 P CB -0.010 31.693 31.700 0.006 0.000 0.788 94 H N -0.234 118.777 119.070 -0.098 0.000 2.543 94 H HA 0.031 4.587 4.556 -0.000 0.000 0.286 94 H C 1.336 176.621 175.328 -0.072 0.000 1.037 94 H CA 0.660 56.671 56.048 -0.062 0.000 1.250 94 H CB -0.491 29.242 29.762 -0.049 0.000 1.373 94 H HN 0.181 nan 8.280 nan 0.000 0.580 95 L N -0.537 120.379 121.223 -0.511 0.000 2.433 95 L HA 0.298 4.638 4.340 -0.000 0.000 0.200 95 L C 0.793 177.507 176.870 -0.261 0.000 1.059 95 L CA 0.120 54.714 54.840 -0.411 0.000 0.835 95 L CB 0.472 42.239 42.059 -0.486 0.000 1.076 95 L HN -0.038 nan 8.230 nan 0.000 0.481 96 R N -0.010 120.319 120.500 -0.284 0.000 2.673 96 R HA 0.380 4.720 4.340 -0.000 0.000 0.281 96 R C -2.694 173.443 176.300 -0.272 0.000 0.991 96 R CA -1.648 54.288 56.100 -0.273 0.000 0.896 96 R CB 2.406 32.539 30.300 -0.278 0.000 1.201 96 R HN -0.192 nan 8.270 nan 0.000 0.457 97 P HA 0.140 nan 4.420 nan 0.000 0.286 97 P C -0.116 177.071 177.300 -0.188 0.000 1.261 97 P CA -0.189 62.764 63.100 -0.245 0.000 0.821 97 P CB 1.551 33.010 31.700 -0.401 0.000 1.013 98 A N 4.279 127.258 122.820 0.265 0.000 1.917 98 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 98 A C 1.990 179.639 177.584 0.109 0.000 1.182 98 A CA 1.813 54.054 52.037 0.340 0.000 0.633 98 A CB -1.940 17.224 19.000 0.273 0.000 0.819 98 A HN 0.839 nan 8.150 nan 0.000 0.448 99 W N -0.689 120.683 121.300 0.118 0.000 2.350 99 W HA -0.204 4.456 4.660 -0.000 0.000 0.289 99 W C 1.908 178.441 176.519 0.023 0.000 1.215 99 W CA 1.428 58.811 57.345 0.062 0.000 1.236 99 W CB -0.909 28.578 29.460 0.046 0.000 1.130 99 W HN 0.410 nan 8.180 nan 0.000 0.541 100 M N 0.872 119.991 119.600 -0.802 0.000 2.098 100 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 100 M C 2.116 178.179 176.300 -0.395 0.000 1.072 100 M CA 1.658 56.477 55.300 -0.803 0.000 1.133 100 M CB -0.431 31.517 32.600 -1.086 0.000 1.344 100 M HN -0.222 nan 8.290 nan 0.000 0.414 101 I N 0.981 121.306 120.570 -0.408 0.000 2.091 101 I HA -0.335 3.835 4.170 -0.000 0.000 0.239 101 I C 2.370 178.261 176.117 -0.376 0.000 1.061 101 I CA 1.848 62.848 61.300 -0.500 0.000 1.317 101 I CB -1.746 35.737 38.000 -0.862 0.000 1.031 101 I HN 0.415 nan 8.210 nan 0.000 0.401 102 R N 0.387 120.760 120.500 -0.212 0.000 2.170 102 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 102 R C 2.078 178.412 176.300 0.058 0.000 1.145 102 R CA 1.223 57.325 56.100 0.004 0.000 0.984 102 R CB -0.203 30.195 30.300 0.163 0.000 0.869 102 R HN 0.441 nan 8.270 nan 0.000 0.455 103 I N -1.293 119.299 120.570 0.037 0.000 2.480 103 I HA 0.012 4.182 4.170 -0.000 0.000 0.251 103 I C 2.348 178.530 176.117 0.109 0.000 1.124 103 I CA 1.108 62.464 61.300 0.093 0.000 1.444 103 I CB -1.362 36.701 38.000 0.105 0.000 1.098 103 I HN 0.161 nan 8.210 nan 0.000 0.428 104 G N 1.862 110.658 108.800 -0.007 0.000 2.402 104 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.216 104 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.216 104 G C 1.642 176.525 174.900 -0.027 0.000 1.162 104 G CA 0.237 45.326 45.100 -0.019 0.000 0.777 104 G HN 0.155 nan 8.290 nan 0.000 0.539 105 L N -0.069 121.088 121.223 -0.109 0.000 2.127 105 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 105 L C 2.389 179.290 176.870 0.050 0.000 1.089 105 L CA 1.039 55.824 54.840 -0.092 0.000 0.757 105 L CB -1.038 40.954 42.059 -0.112 0.000 0.899 105 L HN 0.348 nan 8.230 nan 0.000 0.434 106 F N -0.537 119.409 119.950 -0.006 0.000 2.146 106 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 106 F C 2.451 178.262 175.800 0.019 0.000 1.096 106 F CA 1.414 59.437 58.000 0.039 0.000 1.275 106 F CB -0.056 39.020 39.000 0.127 0.000 1.008 106 F HN 0.003 nan 8.300 nan 0.000 0.480 107 M N -1.202 118.573 119.600 0.292 0.000 2.159 107 M HA -0.243 4.237 4.480 -0.000 0.000 0.263 107 M C 2.034 178.333 176.300 -0.003 0.000 1.063 107 M CA 1.672 57.070 55.300 0.164 0.000 1.110 107 M CB -0.801 31.912 32.600 0.188 0.000 1.374 107 M HN 0.257 nan 8.290 nan 0.000 0.411 108 Y N 1.432 121.644 120.300 -0.146 0.000 2.242 108 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 108 Y C 1.996 177.750 175.900 -0.244 0.000 1.137 108 Y CA 1.658 59.654 58.100 -0.173 0.000 1.181 108 Y CB -0.177 38.160 38.460 -0.205 0.000 0.989 108 Y HN 0.248 nan 8.280 nan 0.000 0.527 109 D N -1.626 118.605 120.400 -0.281 0.000 2.219 109 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 109 D C 1.235 177.102 176.300 -0.722 0.000 0.970 109 D CA 1.520 55.184 54.000 -0.560 0.000 0.851 109 D CB -0.150 40.171 40.800 -0.798 0.000 0.943 109 D HN 0.568 nan 8.370 nan 0.000 0.488 110 H N -1.216 117.686 119.070 -0.280 0.000 3.233 110 H HA 0.145 4.701 4.556 -0.000 0.000 0.263 110 H C 1.584 176.808 175.328 -0.173 0.000 1.168 110 H CA -0.367 55.524 56.048 -0.262 0.000 1.159 110 H CB 0.706 30.231 29.762 -0.396 0.000 1.593 110 H HN -0.007 nan 8.280 nan 0.000 0.580 111 L N 1.287 122.449 121.223 -0.102 0.000 2.217 111 L HA 0.177 4.516 4.340 -0.000 0.000 0.211 111 L C 1.068 177.893 176.870 -0.075 0.000 1.107 111 L CA 0.986 55.780 54.840 -0.076 0.000 0.783 111 L CB -0.523 41.490 42.059 -0.076 0.000 0.919 111 L HN 0.230 nan 8.230 nan 0.000 0.442 112 G N -2.688 106.051 108.800 -0.102 0.000 2.574 112 G HA2 0.427 4.387 3.960 -0.000 0.000 0.299 112 G HA3 0.427 4.387 3.960 -0.000 0.000 0.299 112 G C 0.444 175.304 174.900 -0.067 0.000 1.298 112 G CA -0.367 44.684 45.100 -0.081 0.000 0.952 112 G HN -0.179 nan 8.290 nan 0.000 0.477 113 K N -0.171 120.205 120.400 -0.041 0.000 2.342 113 K HA -0.280 4.039 4.320 -0.000 0.000 0.205 113 K C 1.294 177.890 176.600 -0.007 0.000 0.693 113 K CA 2.424 58.699 56.287 -0.020 0.000 0.967 113 K CB -0.185 32.307 32.500 -0.013 0.000 0.535 113 K HN 0.714 nan 8.250 nan 0.000 0.902 114 R N 0.045 120.543 120.500 -0.004 0.000 2.412 114 R HA 0.275 4.615 4.340 -0.000 0.000 0.304 114 R C 0.258 176.565 176.300 0.012 0.000 1.066 114 R CA 0.167 56.263 56.100 -0.007 0.000 0.923 114 R CB 0.660 30.946 30.300 -0.024 0.000 1.156 114 R HN 0.273 nan 8.270 nan 0.000 0.513 115 T N 1.419 115.981 114.554 0.014 0.000 2.693 115 T HA -0.279 4.071 4.350 -0.000 0.000 0.263 115 T C 0.989 175.707 174.700 0.030 0.000 1.046 115 T CA 2.961 65.074 62.100 0.022 0.000 1.160 115 T CB 0.039 68.919 68.868 0.021 0.000 0.853 115 T HN 0.782 nan 8.240 nan 0.000 0.462 116 S N -1.100 114.621 115.700 0.035 0.000 3.019 116 S HA 0.338 4.808 4.470 -0.000 0.000 0.258 116 S C 0.462 175.095 174.600 0.056 0.000 1.082 116 S CA -0.504 57.723 58.200 0.046 0.000 0.836 116 S CB 0.186 63.416 63.200 0.050 0.000 0.834 116 S HN 0.260 nan 8.310 nan 0.000 0.457 117 L N 3.482 124.741 121.223 0.061 0.000 2.485 117 L HA 0.222 4.562 4.340 -0.000 0.000 0.275 117 L C -1.773 175.142 176.870 0.075 0.000 1.207 117 L CA -1.426 53.462 54.840 0.079 0.000 0.855 117 L CB 0.105 42.217 42.059 0.088 0.000 1.114 117 L HN 0.114 nan 8.230 nan 0.000 0.485 118 P HA 0.183 nan 4.420 nan 0.000 0.330 118 P C -0.456 176.896 177.300 0.087 0.000 1.436 118 P CA -0.246 62.902 63.100 0.081 0.000 0.845 118 P CB 0.284 32.034 31.700 0.084 0.000 2.027 119 G N -2.015 106.843 108.800 0.098 0.000 2.673 119 G HA2 0.474 4.434 3.960 -0.000 0.000 0.292 119 G HA3 0.474 4.434 3.960 -0.000 0.000 0.292 119 G C -1.070 173.908 174.900 0.129 0.000 1.450 119 G CA -0.262 44.897 45.100 0.099 0.000 0.837 119 G HN 0.447 nan 8.290 nan 0.000 0.505 120 S N -0.593 115.192 115.700 0.143 0.000 2.572 120 S HA 0.648 5.118 4.470 -0.000 0.000 0.279 120 S C 0.489 175.182 174.600 0.157 0.000 1.341 120 S CA 0.723 59.035 58.200 0.187 0.000 1.043 120 S CB 1.292 64.605 63.200 0.188 0.000 0.887 120 S HN 1.810 nan 8.310 nan 0.000 0.516 121 T N 0.164 114.814 114.554 0.160 0.000 2.883 121 T HA 0.748 5.098 4.350 -0.000 0.000 0.296 121 T C 0.258 175.013 174.700 0.091 0.000 1.117 121 T CA -0.371 61.788 62.100 0.099 0.000 1.006 121 T CB 1.149 70.042 68.868 0.043 0.000 1.191 121 T HN 1.035 nan 8.240 nan 0.000 0.508 122 G N 0.121 108.910 108.800 -0.020 0.000 2.522 122 G HA2 0.706 4.666 3.960 -0.000 0.000 0.304 122 G HA3 0.706 4.666 3.960 -0.000 0.000 0.304 122 G C -1.377 173.369 174.900 -0.257 0.000 1.210 122 G CA -0.899 44.070 45.100 -0.218 0.000 0.960 122 G HN 0.839 nan 8.290 nan 0.000 0.497 123 L N -0.961 120.011 121.223 -0.417 0.000 2.506 123 L HA 0.570 4.910 4.340 -0.000 0.000 0.257 123 L C -0.162 176.348 176.870 -0.600 0.000 0.964 123 L CA -0.783 53.761 54.840 -0.492 0.000 0.836 123 L CB 2.871 44.541 42.059 -0.648 0.000 1.384 123 L HN 0.647 nan 8.230 nan 0.000 0.410 124 R N 0.863 121.050 120.500 -0.523 0.000 2.732 124 R HA 0.742 5.082 4.340 -0.000 0.000 0.278 124 R C -1.812 174.192 176.300 -0.493 0.000 0.976 124 R CA -0.379 55.471 56.100 -0.417 0.000 0.963 124 R CB 1.293 31.468 30.300 -0.208 0.000 1.150 124 R HN 0.355 nan 8.270 nan 0.000 0.478 125 F N 1.203 121.133 119.950 -0.035 0.000 2.507 125 F HA 0.499 5.025 4.527 -0.000 0.000 0.328 125 F C 0.760 176.547 175.800 -0.020 0.000 1.136 125 F CA -0.480 57.508 58.000 -0.019 0.000 0.930 125 F CB 2.176 41.168 39.000 -0.014 0.000 1.166 125 F HN 0.677 nan 8.300 nan 0.000 0.436 126 G N 0.843 109.730 108.800 0.146 0.000 2.568 126 G HA2 0.487 4.447 3.960 -0.000 0.000 0.293 126 G HA3 0.487 4.447 3.960 -0.000 0.000 0.293 126 G C 0.776 175.718 174.900 0.070 0.000 1.347 126 G CA -0.264 44.882 45.100 0.077 0.000 1.039 126 G HN 0.777 nan 8.290 nan 0.000 0.523 127 A N -0.596 122.249 122.820 0.042 0.000 2.125 127 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 127 A C 1.713 179.315 177.584 0.030 0.000 1.156 127 A CA 1.271 53.326 52.037 0.030 0.000 0.671 127 A CB -0.224 18.788 19.000 0.021 0.000 0.794 127 A HN 0.412 nan 8.150 nan 0.000 0.459 128 N N -0.057 118.667 118.700 0.040 0.000 2.235 128 N HA 0.058 4.798 4.740 -0.000 0.000 0.209 128 N C 0.541 176.081 175.510 0.049 0.000 1.122 128 N CA 0.675 53.748 53.050 0.039 0.000 0.845 128 N CB 0.231 38.740 38.487 0.037 0.000 1.004 128 N HN 0.597 nan 8.380 nan 0.000 0.499 129 S N -0.748 114.987 115.700 0.058 0.000 2.652 129 S HA 0.206 4.675 4.470 -0.000 0.000 0.267 129 S C 1.604 176.204 174.600 0.001 0.000 1.201 129 S CA -0.349 57.892 58.200 0.069 0.000 0.996 129 S CB 0.804 64.084 63.200 0.133 0.000 1.054 129 S HN -0.039 nan 8.310 nan 0.000 0.561 130 V N -1.632 118.250 119.914 -0.054 0.000 3.235 130 V HA 0.356 4.476 4.120 -0.000 0.000 0.259 130 V C 0.682 176.670 176.094 -0.177 0.000 1.133 130 V CA 0.189 62.460 62.300 -0.047 0.000 1.128 130 V CB -1.210 30.601 31.823 -0.020 0.000 0.757 130 V HN 0.625 nan 8.190 nan 0.000 0.469 131 L N 0.914 121.902 121.223 -0.392 0.000 2.439 131 L HA 0.372 4.712 4.340 -0.000 0.000 0.261 131 L C 0.631 177.330 176.870 -0.285 0.000 1.153 131 L CA -0.427 54.087 54.840 -0.544 0.000 0.808 131 L CB 0.614 42.222 42.059 -0.751 0.000 1.126 131 L HN 0.066 nan 8.230 nan 0.000 0.460 132 K N 1.832 122.078 120.400 -0.257 0.000 2.414 132 K HA 0.032 4.352 4.320 -0.000 0.000 0.272 132 K C -1.549 174.985 176.600 -0.111 0.000 0.993 132 K CA -1.136 55.064 56.287 -0.146 0.000 0.964 132 K CB 0.677 33.096 32.500 -0.136 0.000 0.925 132 K HN 0.273 nan 8.250 nan 0.000 0.487 133 P HA -0.228 nan 4.420 nan 0.000 0.216 133 P C 0.705 177.995 177.300 -0.016 0.000 1.150 133 P CA 1.225 64.309 63.100 -0.026 0.000 0.837 133 P CB 0.085 31.775 31.700 -0.017 0.000 0.786 134 E N 0.121 120.302 120.200 -0.033 0.000 2.333 134 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 134 E C 0.436 177.033 176.600 -0.005 0.000 1.007 134 E CA 0.638 57.026 56.400 -0.020 0.000 0.845 134 E CB -0.657 29.022 29.700 -0.036 0.000 0.766 134 E HN 0.299 nan 8.360 nan 0.000 0.507 135 I N 2.033 122.590 120.570 -0.022 0.000 2.304 135 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 135 I C 1.022 177.204 176.117 0.108 0.000 1.018 135 I CA -0.368 60.939 61.300 0.012 0.000 1.260 135 I CB 1.267 39.210 38.000 -0.095 0.000 1.390 135 I HN -0.157 nan 8.210 nan 0.000 0.475 136 K N 5.537 126.044 120.400 0.178 0.000 2.491 136 K HA 0.295 4.615 4.320 -0.000 0.000 0.211 136 K C 0.426 177.133 176.600 0.178 0.000 1.210 136 K CA -0.121 56.276 56.287 0.182 0.000 1.003 136 K CB 1.358 33.907 32.500 0.083 0.000 1.009 136 K HN 0.500 nan 8.250 nan 0.000 0.577 137 R N -0.093 120.539 120.500 0.219 0.000 2.808 137 R HA 0.560 4.900 4.340 -0.000 0.000 0.272 137 R C -0.865 175.509 176.300 0.123 0.000 0.995 137 R CA -0.450 55.641 56.100 -0.015 0.000 0.917 137 R CB 2.101 32.312 30.300 -0.149 0.000 1.217 137 R HN 0.124 nan 8.270 nan 0.000 0.471 138 G N 0.835 109.492 108.800 -0.239 0.000 2.570 138 G HA2 0.513 4.473 3.960 -0.000 0.000 0.310 138 G HA3 0.513 4.473 3.960 -0.000 0.000 0.310 138 G C -1.835 172.670 174.900 -0.658 0.000 1.266 138 G CA -0.654 44.404 45.100 -0.069 0.000 0.825 138 G HN 0.355 nan 8.290 nan 0.000 0.483 139 F N -0.664 119.366 119.950 0.133 0.000 2.662 139 F HA 0.759 5.286 4.527 -0.000 0.000 0.312 139 F C -0.245 175.643 175.800 0.147 0.000 1.113 139 F CA -0.752 57.312 58.000 0.107 0.000 0.951 139 F CB 2.856 41.934 39.000 0.130 0.000 1.344 139 F HN 0.544 nan 8.300 nan 0.000 0.462 140 E N 0.914 121.320 120.200 0.344 0.000 2.308 140 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 140 E C -1.932 174.845 176.600 0.296 0.000 0.890 140 E CA -0.645 55.884 56.400 0.214 0.000 0.754 140 E CB 2.615 32.357 29.700 0.069 0.000 1.207 140 E HN 0.565 nan 8.360 nan 0.000 0.426 141 Y N -0.616 119.784 120.300 0.168 0.000 2.744 141 Y HA 0.681 5.231 4.550 -0.000 0.000 0.330 141 Y C -1.174 174.873 175.900 0.245 0.000 1.263 141 Y CA -1.117 57.077 58.100 0.156 0.000 1.065 141 Y CB 0.995 39.501 38.460 0.076 0.000 1.306 141 Y HN 0.207 nan 8.280 nan 0.000 0.459 142 S N 1.282 117.194 115.700 0.353 0.000 2.549 142 S HA 0.701 5.171 4.470 -0.000 0.000 0.297 142 S C -1.436 173.418 174.600 0.422 0.000 1.115 142 S CA -0.449 57.939 58.200 0.313 0.000 1.059 142 S CB 1.293 64.638 63.200 0.241 0.000 1.046 142 S HN 0.654 nan 8.310 nan 0.000 0.506 143 D N -0.511 120.119 120.400 0.383 0.000 2.779 143 D HA 0.479 5.119 4.640 -0.000 0.000 0.331 143 D C -1.255 175.241 176.300 0.328 0.000 1.331 143 D CA -0.212 53.971 54.000 0.304 0.000 0.866 143 D CB 1.572 42.415 40.800 0.071 0.000 1.409 143 D HN 0.566 nan 8.370 nan 0.000 0.486 144 C N 0.065 119.499 119.300 0.223 0.000 2.848 144 C HA 0.692 5.152 4.460 -0.000 0.000 0.317 144 C C -0.916 174.131 174.990 0.095 0.000 1.260 144 C CA -0.773 58.333 59.018 0.146 0.000 1.656 144 C CB 1.375 29.160 27.740 0.076 0.000 2.174 144 C HN 0.659 nan 8.230 nan 0.000 0.479 145 W N 0.477 121.576 121.300 -0.335 0.000 2.666 145 W HA 0.740 5.400 4.660 -0.000 0.000 0.334 145 W C -1.013 175.244 176.519 -0.437 0.000 1.051 145 W CA -0.432 56.655 57.345 -0.429 0.000 1.224 145 W CB 1.187 30.206 29.460 -0.736 0.000 1.405 145 W HN 0.550 nan 8.180 nan 0.000 0.513 146 V N 5.671 125.119 119.914 -0.778 0.000 2.971 146 V HA 0.259 4.379 4.120 -0.000 0.000 0.309 146 V C -1.223 174.218 176.094 -1.088 0.000 1.130 146 V CA -0.756 61.172 62.300 -0.619 0.000 0.964 146 V CB 2.090 33.713 31.823 -0.334 0.000 1.029 146 V HN 0.470 nan 8.190 nan 0.000 0.427 147 D N 3.967 124.047 120.400 -0.534 0.000 2.402 147 D HA 0.099 4.739 4.640 -0.000 0.000 0.235 147 D C 0.817 176.964 176.300 -0.256 0.000 1.226 147 D CA 0.055 53.869 54.000 -0.310 0.000 0.918 147 D CB 1.258 42.089 40.800 0.053 0.000 1.043 147 D HN 0.754 nan 8.370 nan 0.000 0.506 148 D N 3.343 123.556 120.400 -0.313 0.000 2.104 148 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 148 D C 1.683 177.887 176.300 -0.160 0.000 0.994 148 D CA 1.360 55.214 54.000 -0.244 0.000 0.830 148 D CB -0.553 40.097 40.800 -0.250 0.000 0.959 148 D HN 0.320 nan 8.370 nan 0.000 0.452 149 A N 0.683 123.443 122.820 -0.099 0.000 1.902 149 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 149 A C 2.339 179.902 177.584 -0.036 0.000 1.181 149 A CA 1.442 53.447 52.037 -0.054 0.000 0.623 149 A CB -0.558 18.446 19.000 0.008 0.000 0.818 149 A HN 0.168 nan 8.150 nan 0.000 0.443 150 R N -1.178 119.311 120.500 -0.018 0.000 2.189 150 R HA -0.050 4.290 4.340 -0.000 0.000 0.223 150 R C 1.893 178.175 176.300 -0.030 0.000 1.092 150 R CA 1.077 57.180 56.100 0.005 0.000 0.989 150 R CB -0.457 29.846 30.300 0.005 0.000 0.876 150 R HN 0.487 nan 8.270 nan 0.000 0.457 151 L N 0.571 121.734 121.223 -0.101 0.000 2.156 151 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 151 L C 2.030 178.790 176.870 -0.184 0.000 1.095 151 L CA 1.287 56.042 54.840 -0.141 0.000 0.770 151 L CB -0.060 41.878 42.059 -0.202 0.000 0.914 151 L HN -0.143 nan 8.230 nan 0.000 0.439 152 V N -0.520 119.284 119.914 -0.184 0.000 2.343 152 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 152 V C 2.434 178.460 176.094 -0.114 0.000 1.051 152 V CA 1.692 63.877 62.300 -0.193 0.000 1.036 152 V CB -0.704 31.018 31.823 -0.169 0.000 0.654 152 V HN 0.448 nan 8.190 nan 0.000 0.451 153 L N 0.583 121.786 121.223 -0.033 0.000 2.017 153 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 153 L C 2.580 179.520 176.870 0.117 0.000 1.073 153 L CA 2.631 57.513 54.840 0.070 0.000 0.745 153 L CB -1.079 41.069 42.059 0.148 0.000 0.894 153 L HN 0.362 nan 8.230 nan 0.000 0.432 154 A N 0.291 123.172 122.820 0.101 0.000 1.883 154 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 154 A C 1.962 179.604 177.584 0.096 0.000 1.186 154 A CA 1.927 54.047 52.037 0.137 0.000 0.624 154 A CB -0.790 18.297 19.000 0.146 0.000 0.822 154 A HN 0.633 nan 8.150 nan 0.000 0.444 155 N N 0.251 118.958 118.700 0.013 0.000 2.149 155 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 155 N C 1.946 177.457 175.510 0.003 0.000 1.019 155 N CA 1.399 54.449 53.050 0.000 0.000 0.857 155 N CB -0.346 38.089 38.487 -0.087 0.000 0.997 155 N HN 0.510 nan 8.380 nan 0.000 0.426 156 A N 1.481 124.273 122.820 -0.046 0.000 1.972 156 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 156 A C 1.495 179.159 177.584 0.134 0.000 1.169 156 A CA 0.996 52.959 52.037 -0.124 0.000 0.635 156 A CB -0.231 18.493 19.000 -0.460 0.000 0.810 156 A HN 0.345 nan 8.150 nan 0.000 0.446 160 V N 1.420 121.420 119.914 0.143 0.000 2.407 160 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 160 V C 2.461 178.613 176.094 0.097 0.000 1.055 160 V CA 2.872 65.259 62.300 0.145 0.000 1.049 160 V CB -0.780 31.183 31.823 0.233 0.000 0.662 160 V HN 0.613 nan 8.190 nan 0.000 0.455 161 R N 1.214 121.775 120.500 0.102 0.000 2.139 161 R HA -0.184 4.155 4.340 -0.000 0.000 0.243 161 R C 1.635 177.957 176.300 0.037 0.000 1.145 161 R CA 1.652 57.794 56.100 0.070 0.000 0.976 161 R CB -0.134 30.218 30.300 0.086 0.000 0.866 161 R HN 0.488 nan 8.270 nan 0.000 0.449 162 K N -0.689 119.731 120.400 0.034 0.000 2.570 162 K HA 0.209 4.529 4.320 -0.000 0.000 0.210 162 K C 0.185 176.781 176.600 -0.008 0.000 1.048 162 K CA 0.416 56.696 56.287 -0.012 0.000 1.167 162 K CB 0.982 33.457 32.500 -0.041 0.000 0.892 162 K HN 0.377 nan 8.250 nan 0.000 0.480 163 G N 1.741 110.549 108.800 0.014 0.000 2.305 163 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 163 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 163 G C 0.413 175.316 174.900 0.005 0.000 1.036 163 G CA 0.103 45.211 45.100 0.013 0.000 0.887 163 G HN 0.518 nan 8.290 nan 0.000 0.505 164 G N -1.293 107.513 108.800 0.010 0.000 2.588 164 G HA2 0.580 4.540 3.960 -0.000 0.000 0.281 164 G HA3 0.580 4.540 3.960 -0.000 0.000 0.281 164 G C -0.128 174.772 174.900 0.001 0.000 1.236 164 G CA 0.157 45.250 45.100 -0.012 0.000 0.969 164 G HN 0.528 nan 8.290 nan 0.000 0.504 165 E N -1.924 118.253 120.200 -0.038 0.000 2.320 165 E HA 0.605 4.955 4.350 -0.000 0.000 0.264 165 E C -1.556 175.006 176.600 -0.064 0.000 0.923 165 E CA -0.719 55.670 56.400 -0.019 0.000 0.796 165 E CB 2.511 32.177 29.700 -0.056 0.000 1.262 165 E HN 0.183 nan 8.360 nan 0.000 0.428 166 V N 3.576 123.483 119.914 -0.011 0.000 2.610 166 V HA 0.318 4.438 4.120 -0.000 0.000 0.298 166 V C -0.798 175.239 176.094 -0.094 0.000 1.067 166 V CA -0.592 61.622 62.300 -0.143 0.000 0.894 166 V CB 1.466 33.123 31.823 -0.277 0.000 1.015 166 V HN 0.599 nan 8.190 nan 0.000 0.432 167 L N 4.723 125.830 121.223 -0.195 0.000 2.317 167 L HA 0.833 5.173 4.340 -0.000 0.000 0.281 167 L C 0.526 177.292 176.870 -0.173 0.000 1.024 167 L CA -0.143 54.619 54.840 -0.130 0.000 0.810 167 L CB 2.379 44.324 42.059 -0.190 0.000 1.240 167 L HN 0.844 nan 8.230 nan 0.000 0.427 168 T N -1.624 112.881 114.554 -0.081 0.000 2.883 168 T HA 0.479 4.829 4.350 -0.000 0.000 0.284 168 T C 0.399 175.083 174.700 -0.027 0.000 1.041 168 T CA -0.856 61.185 62.100 -0.098 0.000 1.007 168 T CB 1.380 70.197 68.868 -0.085 0.000 1.220 168 T HN 0.621 nan 8.240 nan 0.000 0.552 169 R N -0.421 120.062 120.500 -0.028 0.000 3.722 169 R HA -0.129 4.210 4.340 -0.000 0.000 0.284 169 R C -0.665 175.643 176.300 0.014 0.000 1.165 169 R CA 1.008 57.108 56.100 0.000 0.000 0.779 169 R CB -2.723 27.601 30.300 0.040 0.000 1.179 169 R HN 0.780 nan 8.270 nan 0.000 0.491 170 T N 0.385 114.924 114.554 -0.025 0.000 2.833 170 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 170 T C -0.178 174.499 174.700 -0.038 0.000 1.015 170 T CA -0.729 61.370 62.100 -0.001 0.000 0.963 170 T CB 1.696 70.528 68.868 -0.060 0.000 0.955 170 T HN 0.197 nan 8.240 nan 0.000 0.449 171 R N 2.552 123.054 120.500 0.004 0.000 2.229 171 R HA 0.663 5.002 4.340 -0.000 0.000 0.328 171 R C -0.060 176.261 176.300 0.034 0.000 1.009 171 R CA -0.571 55.510 56.100 -0.033 0.000 0.864 171 R CB 0.567 30.850 30.300 -0.028 0.000 1.085 171 R HN 0.721 nan 8.270 nan 0.000 0.453 172 A N 3.118 125.930 122.820 -0.013 0.000 2.454 172 A HA 0.150 4.470 4.320 -0.000 0.000 0.260 172 A C 0.999 178.736 177.584 0.256 0.000 1.106 172 A CA 0.057 52.148 52.037 0.089 0.000 0.780 172 A CB 0.479 19.416 19.000 -0.106 0.000 1.044 172 A HN 0.967 nan 8.150 nan 0.000 0.498 173 T N -1.017 113.694 114.554 0.261 0.000 2.978 173 T HA 0.356 4.706 4.350 -0.000 0.000 0.248 173 T C 0.679 175.473 174.700 0.157 0.000 1.018 173 T CA 0.727 62.951 62.100 0.207 0.000 1.026 173 T CB -0.335 68.607 68.868 0.124 0.000 1.032 173 T HN 1.547 nan 8.240 nan 0.000 0.485 174 S N -0.044 115.763 115.700 0.179 0.000 2.615 174 S HA 0.817 5.287 4.470 -0.000 0.000 0.269 174 S C -1.701 173.012 174.600 0.189 0.000 1.161 174 S CA -0.595 57.645 58.200 0.067 0.000 0.817 174 S CB 1.528 64.711 63.200 -0.028 0.000 1.131 174 S HN 1.072 nan 8.310 nan 0.000 0.467 175 A N 1.081 123.971 122.820 0.116 0.000 2.488 175 A HA 0.911 5.230 4.320 -0.000 0.000 0.298 175 A C -0.710 177.067 177.584 0.321 0.000 1.044 175 A CA -0.961 51.229 52.037 0.256 0.000 0.693 175 A CB 1.394 20.528 19.000 0.222 0.000 1.272 175 A HN 1.259 nan 8.150 nan 0.000 0.402 176 R N 1.765 122.510 120.500 0.410 0.000 2.668 176 R HA 0.653 4.992 4.340 -0.000 0.000 0.272 176 R C -1.289 175.028 176.300 0.028 0.000 1.019 176 R CA -0.869 55.361 56.100 0.217 0.000 0.894 176 R CB 1.614 31.951 30.300 0.062 0.000 1.228 176 R HN 0.647 nan 8.270 nan 0.000 0.460 177 R N 1.395 121.720 120.500 -0.292 0.000 2.308 177 R HA 0.238 4.578 4.340 -0.000 0.000 0.305 177 R C -0.719 175.431 176.300 -0.251 0.000 1.053 177 R CA -0.195 55.574 56.100 -0.552 0.000 0.957 177 R CB 1.140 31.027 30.300 -0.688 0.000 1.022 177 R HN 0.632 nan 8.270 nan 0.000 0.461 178 E N 2.760 122.837 120.200 -0.205 0.000 2.378 178 E HA 0.111 4.461 4.350 -0.000 0.000 0.282 178 E C -1.000 175.546 176.600 -0.090 0.000 0.910 178 E CA -0.566 55.770 56.400 -0.107 0.000 0.816 178 E CB 1.273 30.943 29.700 -0.051 0.000 1.359 178 E HN 0.588 nan 8.360 nan 0.000 0.397 179 N N 1.713 120.364 118.700 -0.083 0.000 2.815 179 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 179 N C 0.699 176.169 175.510 -0.066 0.000 1.114 179 N CA 1.292 54.308 53.050 -0.058 0.000 0.717 179 N CB -1.304 37.164 38.487 -0.033 0.000 1.074 179 N HN 0.998 nan 8.380 nan 0.000 0.555 180 G N -1.222 107.514 108.800 -0.105 0.000 2.205 180 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.261 180 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.261 180 G C 0.031 174.857 174.900 -0.123 0.000 0.980 180 G CA 0.760 45.795 45.100 -0.109 0.000 0.632 180 G HN 0.406 nan 8.290 nan 0.000 0.533 181 L N -1.127 120.025 121.223 -0.117 0.000 2.334 181 L HA 0.708 5.048 4.340 -0.000 0.000 0.270 181 L C 0.265 177.045 176.870 -0.151 0.000 1.018 181 L CA -1.314 53.488 54.840 -0.063 0.000 0.811 181 L CB 1.079 43.152 42.059 0.023 0.000 1.271 181 L HN 0.164 nan 8.230 nan 0.000 0.443 182 W N 1.726 123.054 121.300 0.046 0.000 2.316 182 W HA 0.414 5.074 4.660 -0.000 0.000 0.321 182 W C -0.242 176.322 176.519 0.075 0.000 1.203 182 W CA -0.363 57.015 57.345 0.056 0.000 1.214 182 W CB 0.961 30.455 29.460 0.058 0.000 1.169 182 W HN 0.037 nan 8.180 nan 0.000 0.561 183 I N 4.314 125.074 120.570 0.317 0.000 2.339 183 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 183 I C -0.538 175.756 176.117 0.295 0.000 0.994 183 I CA -0.941 60.507 61.300 0.246 0.000 1.191 183 I CB 0.898 38.985 38.000 0.145 0.000 1.343 183 I HN -0.001 nan 8.210 nan 0.000 0.458 184 V N 6.832 126.931 119.914 0.309 0.000 2.409 184 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 184 V C 0.141 176.427 176.094 0.320 0.000 1.020 184 V CA -0.733 61.758 62.300 0.317 0.000 0.848 184 V CB 1.869 33.884 31.823 0.320 0.000 0.990 184 V HN 0.661 nan 8.190 nan 0.000 0.430 185 E N 3.228 123.570 120.200 0.236 0.000 2.214 185 E HA 0.850 5.200 4.350 -0.000 0.000 0.274 185 E C -0.361 176.380 176.600 0.235 0.000 0.977 185 E CA -0.627 55.879 56.400 0.176 0.000 0.827 185 E CB 2.609 32.368 29.700 0.098 0.000 1.130 185 E HN 0.777 nan 8.360 nan 0.000 0.394 186 A N 1.978 124.939 122.820 0.235 0.000 2.602 186 A HA 0.582 4.902 4.320 -0.000 0.000 0.290 186 A C -1.488 176.266 177.584 0.282 0.000 1.114 186 A CA -0.839 51.364 52.037 0.278 0.000 0.683 186 A CB 1.787 21.026 19.000 0.398 0.000 1.281 186 A HN 0.722 nan 8.150 nan 0.000 0.416 187 E N 0.613 120.961 120.200 0.246 0.000 2.366 187 E HA 0.416 4.766 4.350 -0.000 0.000 0.278 187 E C -1.665 175.066 176.600 0.219 0.000 0.923 187 E CA -0.816 55.719 56.400 0.226 0.000 0.761 187 E CB 1.910 31.672 29.700 0.103 0.000 1.231 187 E HN 0.517 nan 8.360 nan 0.000 0.443 188 D N 2.873 123.417 120.400 0.240 0.000 2.351 188 D HA 0.078 4.717 4.640 -0.000 0.000 0.251 188 D C 1.194 177.554 176.300 0.101 0.000 1.137 188 D CA -0.324 53.794 54.000 0.198 0.000 0.879 188 D CB 1.017 41.950 40.800 0.222 0.000 1.181 188 D HN 0.678 nan 8.370 nan 0.000 0.448 189 I N 0.869 121.482 120.570 0.072 0.000 2.928 189 I HA -0.069 4.100 4.170 -0.000 0.000 0.266 189 I C 0.591 176.733 176.117 0.042 0.000 1.234 189 I CA 0.434 61.761 61.300 0.045 0.000 1.483 189 I CB 0.134 38.148 38.000 0.024 0.000 1.097 189 I HN 0.134 nan 8.210 nan 0.000 0.455 190 D N 1.798 122.227 120.400 0.048 0.000 2.320 190 D HA -0.090 4.550 4.640 -0.000 0.000 0.228 190 D C 2.322 178.642 176.300 0.033 0.000 0.978 190 D CA 2.131 56.155 54.000 0.040 0.000 0.905 190 D CB -0.315 40.511 40.800 0.043 0.000 1.051 190 D HN 0.468 nan 8.370 nan 0.000 0.471 191 T N -2.268 112.307 114.554 0.035 0.000 3.088 191 T HA 0.251 4.601 4.350 -0.000 0.000 0.259 191 T C 1.750 176.452 174.700 0.003 0.000 1.122 191 T CA 1.075 63.184 62.100 0.016 0.000 1.095 191 T CB 0.251 69.126 68.868 0.012 0.000 0.930 191 T HN 0.279 nan 8.240 nan 0.000 0.508 192 G N 1.593 110.400 108.800 0.012 0.000 2.184 192 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.264 192 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.264 192 G C 0.078 174.954 174.900 -0.039 0.000 0.975 192 G CA 0.343 45.441 45.100 -0.002 0.000 0.642 192 G HN 0.822 nan 8.290 nan 0.000 0.536 193 K N 1.236 121.596 120.400 -0.066 0.000 2.472 193 K HA 0.134 4.454 4.320 -0.000 0.000 0.280 193 K C 0.446 176.877 176.600 -0.283 0.000 1.028 193 K CA 0.259 56.428 56.287 -0.197 0.000 1.045 193 K CB 0.173 32.521 32.500 -0.254 0.000 0.902 193 K HN 0.242 nan 8.250 nan 0.000 0.478 194 K N 3.783 123.996 120.400 -0.312 0.000 2.144 194 K HA 0.220 4.539 4.320 -0.000 0.000 0.270 194 K C -0.693 175.592 176.600 -0.525 0.000 1.005 194 K CA -0.380 55.750 56.287 -0.262 0.000 0.932 194 K CB 0.758 33.162 32.500 -0.160 0.000 1.021 194 K HN 0.416 nan 8.250 nan 0.000 0.462 195 Y N -0.780 119.369 120.300 -0.251 0.000 2.512 195 Y HA 0.279 4.828 4.550 -0.000 0.000 0.348 195 Y C 0.057 175.572 175.900 -0.642 0.000 0.990 195 Y CA -0.704 57.056 58.100 -0.567 0.000 1.033 195 Y CB 2.631 40.544 38.460 -0.911 0.000 1.259 195 Y HN 0.469 nan 8.280 nan 0.000 0.461 196 S N 2.442 117.763 115.700 -0.632 0.000 2.571 196 S HA 0.647 5.117 4.470 -0.000 0.000 0.284 196 S C -1.785 172.506 174.600 -0.514 0.000 1.128 196 S CA -0.557 57.397 58.200 -0.409 0.000 0.970 196 S CB 0.737 63.829 63.200 -0.180 0.000 1.039 196 S HN 0.593 nan 8.310 nan 0.000 0.485 197 W N 1.977 123.333 121.300 0.094 0.000 2.975 197 W HA 0.500 5.160 4.660 -0.000 0.000 0.342 197 W C -0.533 176.039 176.519 0.089 0.000 1.168 197 W CA -0.669 56.724 57.345 0.080 0.000 1.141 197 W CB 1.656 31.150 29.460 0.058 0.000 1.445 197 W HN 0.516 nan 8.180 nan 0.000 0.560 198 Q N 0.794 120.802 119.800 0.347 0.000 2.342 198 Q HA 0.753 5.093 4.340 -0.000 0.000 0.267 198 Q C -0.758 175.389 176.000 0.245 0.000 1.038 198 Q CA -0.553 55.400 55.803 0.251 0.000 0.832 198 Q CB 2.711 31.550 28.738 0.169 0.000 1.323 198 Q HN 0.440 nan 8.270 nan 0.000 0.448 199 A N 1.310 124.284 122.820 0.257 0.000 2.587 199 A HA 0.472 4.792 4.320 -0.000 0.000 0.293 199 A C -0.249 177.501 177.584 0.276 0.000 1.087 199 A CA -0.659 51.519 52.037 0.235 0.000 0.692 199 A CB 1.400 20.515 19.000 0.191 0.000 1.291 199 A HN 0.833 nan 8.150 nan 0.000 0.407 200 R N 0.225 120.872 120.500 0.246 0.000 2.200 200 R HA 0.196 4.536 4.340 -0.000 0.000 0.208 200 R C 0.827 177.301 176.300 0.291 0.000 1.033 200 R CA 1.023 57.254 56.100 0.218 0.000 1.000 200 R CB 0.354 30.748 30.300 0.158 0.000 0.906 200 R HN 0.780 nan 8.270 nan 0.000 0.462 201 G N 0.308 109.318 108.800 0.350 0.000 2.667 201 G HA2 0.521 4.481 3.960 -0.000 0.000 0.298 201 G HA3 0.521 4.481 3.960 -0.000 0.000 0.298 201 G C -2.133 172.772 174.900 0.010 0.000 1.377 201 G CA -0.517 44.742 45.100 0.264 0.000 0.964 201 G HN -0.057 nan 8.290 nan 0.000 0.493 202 L N 1.651 122.719 121.223 -0.258 0.000 2.409 202 L HA 0.703 5.043 4.340 -0.000 0.000 0.272 202 L C -0.746 175.930 176.870 -0.325 0.000 0.980 202 L CA -0.762 53.762 54.840 -0.526 0.000 0.826 202 L CB 2.256 43.567 42.059 -1.246 0.000 1.268 202 L HN 0.345 nan 8.230 nan 0.000 0.407 203 V N 4.352 124.107 119.914 -0.265 0.000 2.370 203 V HA 0.407 4.527 4.120 -0.000 0.000 0.279 203 V C -0.008 175.924 176.094 -0.269 0.000 1.029 203 V CA -0.693 61.481 62.300 -0.209 0.000 0.870 203 V CB 1.327 33.060 31.823 -0.151 0.000 0.984 203 V HN 0.743 nan 8.190 nan 0.000 0.451 204 N N 4.340 122.896 118.700 -0.239 0.000 2.719 204 N HA 0.359 5.099 4.740 -0.000 0.000 0.243 204 N C 0.121 175.505 175.510 -0.210 0.000 1.104 204 N CA -0.146 52.747 53.050 -0.262 0.000 0.981 204 N CB 1.188 39.525 38.487 -0.251 0.000 1.290 204 N HN 0.797 nan 8.380 nan 0.000 0.513 205 A N 2.423 125.110 122.820 -0.222 0.000 3.041 205 A HA 0.155 4.475 4.320 -0.000 0.000 0.307 205 A C 1.054 178.547 177.584 -0.151 0.000 1.116 205 A CA -0.485 51.448 52.037 -0.173 0.000 1.001 205 A CB -0.663 18.244 19.000 -0.155 0.000 1.112 205 A HN 0.512 nan 8.150 nan 0.000 0.556 206 T N -3.300 111.175 114.554 -0.131 0.000 3.219 206 T HA 0.423 4.773 4.350 -0.000 0.000 0.249 206 T C 1.399 176.195 174.700 0.159 0.000 1.099 206 T CA 0.925 63.013 62.100 -0.020 0.000 0.988 206 T CB -0.397 68.449 68.868 -0.037 0.000 0.999 206 T HN 1.734 nan 8.240 nan 0.000 0.550 207 G N 2.712 111.543 108.800 0.052 0.000 2.629 207 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.313 207 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.313 207 G C -1.326 173.605 174.900 0.051 0.000 1.217 207 G CA 0.148 45.284 45.100 0.059 0.000 0.994 207 G HN 0.423 nan 8.290 nan 0.000 0.549 208 P HA -0.051 nan 4.420 nan 0.000 0.220 208 P C 1.174 178.317 177.300 -0.262 0.000 1.144 208 P CA 2.001 64.939 63.100 -0.271 0.000 0.800 208 P CB -0.104 31.218 31.700 -0.630 0.000 0.772 209 W N -1.297 120.022 121.300 0.032 0.000 3.316 209 W HA 0.189 4.849 4.660 -0.000 0.000 0.327 209 W C 1.737 178.321 176.519 0.109 0.000 1.232 209 W CA -0.237 57.151 57.345 0.073 0.000 1.805 209 W CB -0.332 29.161 29.460 0.056 0.000 1.090 209 W HN -0.161 nan 8.180 nan 0.000 0.654 210 V N 1.662 121.711 119.914 0.226 0.000 2.392 210 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 210 V C 2.313 178.658 176.094 0.419 0.000 1.059 210 V CA 2.558 64.970 62.300 0.186 0.000 1.051 210 V CB -0.124 31.614 31.823 -0.142 0.000 0.658 210 V HN 0.107 nan 8.190 nan 0.000 0.455 211 K N -0.140 120.492 120.400 0.387 0.000 2.166 211 K HA -0.157 4.163 4.320 -0.000 0.000 0.201 211 K C 2.200 179.021 176.600 0.369 0.000 1.052 211 K CA 1.263 57.808 56.287 0.430 0.000 0.969 211 K CB -0.204 32.467 32.500 0.284 0.000 0.761 211 K HN 0.672 nan 8.250 nan 0.000 0.459 212 Q N -0.155 119.827 119.800 0.303 0.000 2.226 212 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 212 Q C 1.688 177.870 176.000 0.303 0.000 0.975 212 Q CA 1.538 57.510 55.803 0.280 0.000 0.866 212 Q CB -0.657 28.232 28.738 0.251 0.000 0.915 212 Q HN 0.322 nan 8.270 nan 0.000 0.440 213 F N 0.256 120.332 119.950 0.209 0.000 2.134 213 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 213 F C 1.372 177.213 175.800 0.069 0.000 1.097 213 F CA 1.132 59.186 58.000 0.090 0.000 1.264 213 F CB -0.261 38.725 39.000 -0.023 0.000 1.001 213 F HN 0.084 nan 8.300 nan 0.000 0.479 214 F N 0.851 120.886 119.950 0.141 0.000 2.091 214 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 214 F C 2.400 178.218 175.800 0.031 0.000 1.103 214 F CA 1.939 59.988 58.000 0.083 0.000 1.228 214 F CB -0.807 38.279 39.000 0.144 0.000 0.984 214 F HN -0.026 nan 8.300 nan 0.000 0.477 215 D N -0.278 120.269 120.400 0.246 0.000 2.097 215 D HA -0.127 4.512 4.640 -0.000 0.000 0.197 215 D C 1.618 177.940 176.300 0.035 0.000 0.984 215 D CA 1.588 55.656 54.000 0.114 0.000 0.826 215 D CB -0.394 40.460 40.800 0.090 0.000 0.973 215 D HN 0.306 nan 8.370 nan 0.000 0.460 216 D N -0.353 120.069 120.400 0.037 0.000 2.388 216 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 216 D C 1.254 177.564 176.300 0.017 0.000 1.035 216 D CA 0.293 54.324 54.000 0.051 0.000 0.875 216 D CB 0.407 41.246 40.800 0.065 0.000 0.984 216 D HN 0.067 nan 8.370 nan 0.000 0.508 220 L N 1.578 122.964 121.223 0.272 0.000 2.341 220 L HA 0.616 4.956 4.340 -0.000 0.000 0.267 220 L C -2.139 174.889 176.870 0.265 0.000 1.009 220 L CA -2.021 52.990 54.840 0.286 0.000 0.819 220 L CB 2.618 44.913 42.059 0.393 0.000 1.323 220 L HN -0.009 nan 8.230 nan 0.000 0.425 221 P HA 0.079 nan 4.420 nan 0.000 0.280 221 P C -0.618 176.530 177.300 -0.252 0.000 1.244 221 P CA -0.254 62.825 63.100 -0.034 0.000 0.784 221 P CB 1.558 33.213 31.700 -0.074 0.000 0.913 222 S N 3.627 119.062 115.700 -0.442 0.000 2.549 222 S HA 0.185 4.655 4.470 -0.000 0.000 0.279 222 S C -0.928 173.289 174.600 -0.638 0.000 1.321 222 S CA -1.258 56.366 58.200 -0.959 0.000 1.054 222 S CB -0.104 62.786 63.200 -0.517 0.000 0.899 222 S HN 0.351 nan 8.310 nan 0.000 0.497 223 P HA 0.050 nan 4.420 nan 0.000 0.223 223 P C -0.712 175.917 177.300 -1.119 0.000 1.151 223 P CA 1.035 63.686 63.100 -0.748 0.000 0.787 223 P CB 0.032 31.355 31.700 -0.629 0.000 0.788 224 Y N -1.421 118.478 120.300 -0.668 0.000 2.588 224 Y HA 0.603 5.153 4.550 -0.000 0.000 0.343 224 Y C 0.940 176.603 175.900 -0.394 0.000 1.065 224 Y CA -1.117 56.604 58.100 -0.631 0.000 1.038 224 Y CB 1.033 38.871 38.460 -1.036 0.000 1.297 224 Y HN -0.229 nan 8.280 nan 0.000 0.467 225 G N 0.700 109.476 108.800 -0.040 0.000 2.477 225 G HA2 0.571 4.530 3.960 -0.000 0.000 0.304 225 G HA3 0.571 4.530 3.960 -0.000 0.000 0.304 225 G C -1.600 173.358 174.900 0.096 0.000 1.175 225 G CA -0.346 44.770 45.100 0.025 0.000 0.907 225 G HN 0.403 nan 8.290 nan 0.000 0.509 226 I N -0.472 120.173 120.570 0.125 0.000 2.646 226 I HA 0.538 4.708 4.170 -0.000 0.000 0.299 226 I C -0.518 175.632 176.117 0.056 0.000 1.036 226 I CA -1.215 60.166 61.300 0.135 0.000 1.074 226 I CB 2.083 40.197 38.000 0.191 0.000 1.258 226 I HN 0.268 nan 8.210 nan 0.000 0.430 227 R N 6.913 127.432 120.500 0.031 0.000 2.393 227 R HA 0.539 4.879 4.340 -0.000 0.000 0.315 227 R C -1.411 174.889 176.300 0.000 0.000 0.952 227 R CA -0.765 55.339 56.100 0.006 0.000 0.842 227 R CB 1.335 31.628 30.300 -0.012 0.000 1.163 227 R HN 0.549 nan 8.270 nan 0.000 0.450 228 L N 4.563 125.791 121.223 0.008 0.000 2.276 228 L HA 0.471 4.811 4.340 -0.000 0.000 0.286 228 L C 0.010 176.887 176.870 0.013 0.000 1.061 228 L CA -0.513 54.329 54.840 0.003 0.000 0.807 228 L CB 0.873 42.962 42.059 0.051 0.000 1.177 228 L HN 0.303 nan 8.230 nan 0.000 0.429 229 I N 3.900 124.451 120.570 -0.031 0.000 2.476 229 I HA 0.230 4.400 4.170 -0.000 0.000 0.281 229 I C 0.014 176.085 176.117 -0.077 0.000 1.040 229 I CA -0.599 60.679 61.300 -0.036 0.000 1.094 229 I CB 1.664 39.636 38.000 -0.046 0.000 1.219 229 I HN 0.607 nan 8.210 nan 0.000 0.450 230 K N 4.479 124.832 120.400 -0.079 0.000 2.326 230 K HA 0.592 4.912 4.320 -0.000 0.000 0.275 230 K C 0.050 176.567 176.600 -0.138 0.000 1.018 230 K CA -0.114 56.079 56.287 -0.156 0.000 0.962 230 K CB 1.119 33.547 32.500 -0.120 0.000 0.953 230 K HN 0.813 nan 8.250 nan 0.000 0.475 231 G N 1.334 110.042 108.800 -0.153 0.000 2.612 231 G HA2 0.531 4.491 3.960 -0.000 0.000 0.298 231 G HA3 0.531 4.491 3.960 -0.000 0.000 0.298 231 G C -1.430 173.337 174.900 -0.222 0.000 1.336 231 G CA -0.661 44.328 45.100 -0.186 0.000 0.953 231 G HN 0.568 nan 8.290 nan 0.000 0.482 232 S N -0.657 114.846 115.700 -0.329 0.000 2.632 232 S HA 0.758 5.228 4.470 -0.000 0.000 0.289 232 S C -1.273 172.987 174.600 -0.567 0.000 1.115 232 S CA -0.598 57.383 58.200 -0.365 0.000 0.889 232 S CB 1.796 64.824 63.200 -0.288 0.000 1.116 232 S HN 0.694 nan 8.310 nan 0.000 0.486 233 H N 0.269 118.920 119.070 -0.698 0.000 2.865 233 H HA 0.702 5.258 4.556 -0.000 0.000 0.372 233 H C -0.493 174.472 175.328 -0.606 0.000 1.173 233 H CA -0.779 54.859 56.048 -0.684 0.000 1.147 233 H CB 1.250 30.337 29.762 -1.125 0.000 1.805 233 H HN 0.604 nan 8.280 nan 0.000 0.553 234 I N -0.883 119.540 120.570 -0.245 0.000 2.740 234 I HA 0.771 4.941 4.170 -0.000 0.000 0.303 234 I C -1.196 174.857 176.117 -0.106 0.000 1.044 234 I CA -1.226 59.951 61.300 -0.204 0.000 1.064 234 I CB 2.153 40.065 38.000 -0.147 0.000 1.249 234 I HN 0.205 nan 8.210 nan 0.000 0.433 235 V N 4.739 124.634 119.914 -0.033 0.000 2.604 235 V HA 0.672 4.791 4.120 -0.000 0.000 0.305 235 V C 0.062 176.201 176.094 0.075 0.000 1.043 235 V CA -0.548 61.798 62.300 0.077 0.000 0.888 235 V CB 1.757 33.708 31.823 0.213 0.000 0.995 235 V HN 0.723 nan 8.190 nan 0.000 0.429 236 V N 2.475 122.455 119.914 0.111 0.000 3.102 236 V HA 0.776 4.896 4.120 -0.000 0.000 0.312 236 V C -2.874 173.357 176.094 0.227 0.000 1.135 236 V CA -2.967 59.386 62.300 0.089 0.000 1.022 236 V CB 1.976 33.764 31.823 -0.059 0.000 1.056 236 V HN 0.634 nan 8.190 nan 0.000 0.436 237 P HA 0.158 nan 4.420 nan 0.000 0.269 237 P C -0.339 176.988 177.300 0.045 0.000 1.217 237 P CA -0.130 63.062 63.100 0.153 0.000 0.783 237 P CB 0.321 32.056 31.700 0.059 0.000 0.898 238 R N 1.405 121.897 120.500 -0.014 0.000 2.538 238 R HA 0.013 4.352 4.340 -0.000 0.000 0.282 238 R C 1.099 177.335 176.300 -0.107 0.000 1.009 238 R CA -0.001 56.063 56.100 -0.060 0.000 1.063 238 R CB 0.041 30.295 30.300 -0.076 0.000 0.945 238 R HN 0.245 nan 8.270 nan 0.000 0.414 239 V N 4.146 123.928 119.914 -0.220 0.000 2.809 239 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 239 V C -0.171 175.859 176.094 -0.108 0.000 1.080 239 V CA 1.667 63.830 62.300 -0.228 0.000 1.102 239 V CB -0.746 30.857 31.823 -0.367 0.000 0.705 239 V HN 0.967 nan 8.190 nan 0.000 0.475 240 H N -4.345 114.740 119.070 0.024 0.000 2.935 240 H HA 0.274 4.830 4.556 -0.000 0.000 0.297 240 H C 0.198 175.560 175.328 0.057 0.000 1.423 240 H CA -0.286 55.793 56.048 0.052 0.000 1.161 240 H CB 0.435 30.246 29.762 0.082 0.000 1.841 240 H HN -0.128 nan 8.280 nan 0.000 0.506 241 T N -2.197 112.536 114.554 0.298 0.000 3.122 241 T HA 0.193 4.543 4.350 -0.000 0.000 0.250 241 T C 0.207 175.039 174.700 0.221 0.000 1.067 241 T CA -0.320 61.896 62.100 0.194 0.000 0.966 241 T CB -0.252 68.679 68.868 0.106 0.000 1.002 241 T HN 0.557 nan 8.240 nan 0.000 0.542 242 Q N 0.952 120.965 119.800 0.356 0.000 2.394 242 Q HA 0.314 4.654 4.340 -0.000 0.000 0.248 242 Q C 0.965 177.105 176.000 0.234 0.000 0.992 242 Q CA -0.360 55.571 55.803 0.214 0.000 0.888 242 Q CB 1.098 29.880 28.738 0.074 0.000 1.257 242 Q HN 0.177 nan 8.270 nan 0.000 0.462 243 K N 1.111 121.585 120.400 0.124 0.000 2.365 243 K HA -0.046 4.274 4.320 -0.000 0.000 0.197 243 K C -0.087 176.546 176.600 0.055 0.000 1.042 243 K CA 0.564 56.896 56.287 0.076 0.000 0.987 243 K CB 0.388 32.905 32.500 0.029 0.000 0.779 243 K HN 0.549 nan 8.250 nan 0.000 0.484 244 Q N 0.165 120.001 119.800 0.060 0.000 2.293 244 Q HA 0.289 4.629 4.340 -0.000 0.000 0.251 244 Q C -0.605 175.395 176.000 0.001 0.000 0.930 244 Q CA -0.295 55.467 55.803 -0.069 0.000 0.893 244 Q CB 1.491 30.132 28.738 -0.162 0.000 1.215 244 Q HN 0.128 nan 8.270 nan 0.000 0.425 245 A N 2.108 124.770 122.820 -0.262 0.000 2.322 245 A HA 0.501 4.821 4.320 -0.000 0.000 0.269 245 A C -1.252 176.297 177.584 -0.058 0.000 1.094 245 A CA -0.239 51.716 52.037 -0.137 0.000 0.807 245 A CB 0.339 18.968 19.000 -0.618 0.000 1.047 245 A HN 0.646 nan 8.150 nan 0.000 0.487 246 Y N 0.205 120.663 120.300 0.263 0.000 2.387 246 Y HA 0.554 5.104 4.550 -0.000 0.000 0.336 246 Y C 0.152 176.275 175.900 0.370 0.000 1.067 246 Y CA -0.421 57.864 58.100 0.309 0.000 1.114 246 Y CB 1.863 40.561 38.460 0.397 0.000 1.208 246 Y HN 0.610 nan 8.280 nan 0.000 0.458 247 I N 5.295 126.104 120.570 0.399 0.000 2.411 247 I HA 0.444 4.613 4.170 -0.000 0.000 0.284 247 I C -1.856 174.290 176.117 0.049 0.000 1.012 247 I CA -0.608 60.828 61.300 0.226 0.000 1.119 247 I CB 0.478 38.670 38.000 0.321 0.000 1.261 247 I HN 0.496 nan 8.210 nan 0.000 0.448 248 L N 7.222 128.383 121.223 -0.103 0.000 2.282 248 L HA 0.460 4.799 4.340 -0.000 0.000 0.288 248 L C -0.156 176.632 176.870 -0.136 0.000 1.033 248 L CA -0.618 54.083 54.840 -0.232 0.000 0.807 248 L CB 1.546 43.317 42.059 -0.480 0.000 1.209 248 L HN 0.560 nan 8.230 nan 0.000 0.423 249 Q N 2.583 122.367 119.800 -0.026 0.000 2.288 249 Q HA 0.214 4.554 4.340 -0.000 0.000 0.258 249 Q C -0.591 175.434 176.000 0.042 0.000 0.957 249 Q CA -0.353 55.441 55.803 -0.017 0.000 0.919 249 Q CB 1.316 30.030 28.738 -0.040 0.000 1.185 249 Q HN 0.406 nan 8.270 nan 0.000 0.408 250 N N 1.094 119.796 118.700 0.004 0.000 2.477 250 N HA 0.055 4.795 4.740 -0.000 0.000 0.284 250 N C 0.564 176.079 175.510 0.008 0.000 1.182 250 N CA -0.408 52.652 53.050 0.016 0.000 0.949 250 N CB 1.116 39.607 38.487 0.006 0.000 1.204 250 N HN 0.432 nan 8.380 nan 0.000 0.526 251 E N -0.108 120.104 120.200 0.021 0.000 2.267 251 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 251 E C 0.152 176.778 176.600 0.042 0.000 0.998 251 E CA 1.059 57.484 56.400 0.041 0.000 0.830 251 E CB -0.073 29.662 29.700 0.059 0.000 0.751 251 E HN 0.659 nan 8.360 nan 0.000 0.491 252 D N 0.045 120.484 120.400 0.065 0.000 2.340 252 D HA -0.064 4.576 4.640 -0.000 0.000 0.220 252 D C 0.497 176.821 176.300 0.040 0.000 1.039 252 D CA 0.059 54.100 54.000 0.068 0.000 0.866 252 D CB 0.195 41.065 40.800 0.117 0.000 0.913 252 D HN -0.160 nan 8.370 nan 0.000 0.523 253 K N -0.768 119.641 120.400 0.014 0.000 3.512 253 K HA -0.175 4.145 4.320 -0.000 0.000 0.309 253 K C -0.059 176.542 176.600 0.000 0.000 1.350 253 K CA 0.428 56.707 56.287 -0.014 0.000 0.960 253 K CB -1.677 30.810 32.500 -0.020 0.000 1.290 253 K HN 0.418 nan 8.250 nan 0.000 0.454 254 R N 0.114 120.632 120.500 0.031 0.000 2.500 254 R HA 0.509 4.849 4.340 -0.000 0.000 0.275 254 R C 0.404 176.696 176.300 -0.013 0.000 1.051 254 R CA -0.635 55.483 56.100 0.030 0.000 1.088 254 R CB 0.718 31.064 30.300 0.076 0.000 1.063 254 R HN -0.006 nan 8.270 nan 0.000 0.511 255 I N 1.542 122.064 120.570 -0.080 0.000 2.412 255 I HA 0.245 4.415 4.170 -0.000 0.000 0.296 255 I C -0.732 175.213 176.117 -0.287 0.000 0.987 255 I CA -0.561 60.617 61.300 -0.204 0.000 1.180 255 I CB 1.976 39.824 38.000 -0.254 0.000 1.340 255 I HN 0.179 nan 8.210 nan 0.000 0.455 256 V N 6.806 126.543 119.914 -0.295 0.000 2.604 256 V HA 0.436 4.556 4.120 -0.000 0.000 0.305 256 V C -0.556 175.354 176.094 -0.307 0.000 1.043 256 V CA -0.694 61.458 62.300 -0.246 0.000 0.888 256 V CB 1.754 33.551 31.823 -0.043 0.000 0.995 256 V HN 0.367 nan 8.190 nan 0.000 0.429 257 F N 2.782 122.816 119.950 0.139 0.000 2.379 257 F HA 0.628 5.155 4.527 -0.000 0.000 0.332 257 F C 0.191 176.113 175.800 0.202 0.000 1.096 257 F CA -0.726 57.400 58.000 0.211 0.000 1.105 257 F CB 1.607 40.751 39.000 0.241 0.000 1.189 257 F HN 0.129 nan 8.300 nan 0.000 0.515 258 V N 4.826 125.017 119.914 0.461 0.000 2.376 258 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 258 V C -0.332 175.957 176.094 0.325 0.000 1.015 258 V CA -0.580 61.912 62.300 0.320 0.000 0.834 258 V CB 1.271 33.261 31.823 0.278 0.000 1.001 258 V HN 0.560 nan 8.190 nan 0.000 0.428 259 I N 6.864 127.578 120.570 0.242 0.000 2.447 259 I HA 0.436 4.605 4.170 -0.000 0.000 0.287 259 I C -2.615 173.609 176.117 0.178 0.000 1.023 259 I CA -2.117 59.304 61.300 0.201 0.000 1.083 259 I CB 3.144 41.284 38.000 0.233 0.000 1.245 259 I HN 0.410 nan 8.210 nan 0.000 0.434 260 P HA 0.093 nan 4.420 nan 0.000 0.271 260 P C -1.283 176.144 177.300 0.212 0.000 1.216 260 P CA 0.024 63.207 63.100 0.139 0.000 0.776 260 P CB 0.620 32.372 31.700 0.087 0.000 0.881 264 E N -0.418 119.642 120.200 -0.232 0.000 2.508 264 E HA 0.175 4.525 4.350 -0.000 0.000 0.217 264 E C -0.164 176.070 176.600 -0.610 0.000 0.896 264 E CA 0.210 56.295 56.400 -0.524 0.000 1.118 264 E CB 1.493 30.628 29.700 -0.942 0.000 1.133 264 E HN -0.017 nan 8.360 nan 0.000 0.526 265 F N 0.405 120.403 119.950 0.080 0.000 2.631 265 F HA 0.471 4.998 4.527 -0.000 0.000 0.328 265 F C 0.087 175.984 175.800 0.162 0.000 1.067 265 F CA -1.059 57.031 58.000 0.151 0.000 0.969 265 F CB 1.959 41.150 39.000 0.318 0.000 1.332 265 F HN -0.379 nan 8.300 nan 0.000 0.490 266 S N 1.127 117.032 115.700 0.341 0.000 2.532 266 S HA 0.665 5.135 4.470 -0.000 0.000 0.299 266 S C -0.825 173.887 174.600 0.187 0.000 1.105 266 S CA -0.502 57.803 58.200 0.176 0.000 1.018 266 S CB 1.188 64.372 63.200 -0.027 0.000 1.021 266 S HN 0.362 nan 8.310 nan 0.000 0.483 267 I N 3.511 124.180 120.570 0.165 0.000 2.353 267 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 267 I C -0.664 175.516 176.117 0.106 0.000 0.992 267 I CA -0.409 60.937 61.300 0.078 0.000 1.268 267 I CB 1.055 39.042 38.000 -0.022 0.000 1.387 267 I HN 0.457 nan 8.210 nan 0.000 0.478 268 I N 5.264 125.872 120.570 0.063 0.000 2.436 268 I HA 0.750 4.919 4.170 -0.000 0.000 0.289 268 I C 0.245 176.398 176.117 0.060 0.000 1.010 268 I CA -0.206 61.141 61.300 0.078 0.000 1.098 268 I CB 1.790 39.784 38.000 -0.010 0.000 1.266 268 I HN 0.725 nan 8.210 nan 0.000 0.434 269 G N 3.418 112.278 108.800 0.101 0.000 2.451 269 G HA2 0.614 4.573 3.960 -0.000 0.000 0.292 269 G HA3 0.614 4.573 3.960 -0.000 0.000 0.292 269 G C -1.012 173.886 174.900 -0.003 0.000 1.427 269 G CA -0.363 44.662 45.100 -0.125 0.000 0.792 269 G HN 0.497 nan 8.290 nan 0.000 0.498 270 T N -1.750 112.730 114.554 -0.123 0.000 2.598 270 T HA 0.885 5.235 4.350 -0.000 0.000 0.254 270 T C 0.275 174.863 174.700 -0.187 0.000 0.889 270 T CA 0.050 61.931 62.100 -0.365 0.000 1.091 270 T CB 1.187 69.773 68.868 -0.470 0.000 1.437 270 T HN 1.458 nan 8.240 nan 0.000 0.542 271 T N -1.814 112.593 114.554 -0.246 0.000 2.838 271 T HA 0.674 5.023 4.350 -0.000 0.000 0.292 271 T C -1.771 172.803 174.700 -0.209 0.000 1.113 271 T CA -0.748 61.188 62.100 -0.273 0.000 1.008 271 T CB 1.917 70.599 68.868 -0.309 0.000 1.259 271 T HN 0.486 nan 8.240 nan 0.000 0.520 272 D N 1.114 121.384 120.400 -0.216 0.000 2.517 272 D HA 0.397 5.037 4.640 -0.000 0.000 0.263 272 D C -1.109 175.113 176.300 -0.130 0.000 1.233 272 D CA -0.097 53.819 54.000 -0.141 0.000 0.849 272 D CB 1.468 42.198 40.800 -0.117 0.000 1.261 272 D HN 0.412 nan 8.370 nan 0.000 0.516 273 V N 1.571 121.420 119.914 -0.108 0.000 2.370 273 V HA 0.207 4.327 4.120 -0.000 0.000 0.283 273 V C 0.547 176.628 176.094 -0.023 0.000 1.023 273 V CA -0.822 61.432 62.300 -0.076 0.000 0.857 273 V CB 1.941 33.721 31.823 -0.072 0.000 0.985 273 V HN 0.252 nan 8.190 nan 0.000 0.443 274 E N 3.396 123.582 120.200 -0.022 0.000 2.414 274 E HA 0.148 4.498 4.350 -0.000 0.000 0.263 274 E C -1.359 175.270 176.600 0.049 0.000 1.000 274 E CA 0.186 56.588 56.400 0.003 0.000 0.914 274 E CB 0.502 30.190 29.700 -0.021 0.000 0.948 274 E HN 0.582 nan 8.360 nan 0.000 0.444 275 Y N 3.646 123.901 120.300 -0.076 0.000 2.462 275 Y HA 0.402 4.952 4.550 -0.000 0.000 0.346 275 Y C -1.177 174.679 175.900 -0.074 0.000 0.976 275 Y CA -0.907 57.146 58.100 -0.078 0.000 1.044 275 Y CB 1.137 39.542 38.460 -0.092 0.000 1.230 275 Y HN 0.362 nan 8.280 nan 0.000 0.455 276 K N 4.102 124.121 120.400 -0.635 0.000 2.422 276 K HA 0.848 5.168 4.320 -0.000 0.000 0.251 276 K C -0.237 176.009 176.600 -0.590 0.000 0.933 276 K CA -0.351 55.680 56.287 -0.427 0.000 0.798 276 K CB 2.039 34.392 32.500 -0.246 0.000 1.238 276 K HN 1.009 nan 8.250 nan 0.000 0.428 277 G N 1.420 110.064 108.800 -0.259 0.000 2.378 277 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.198 277 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.198 277 G C -1.605 173.320 174.900 0.041 0.000 1.223 277 G CA -0.459 44.556 45.100 -0.141 0.000 1.088 277 G HN 0.653 nan 8.290 nan 0.000 0.530 278 D N 1.407 121.874 120.400 0.112 0.000 2.339 278 D HA 0.462 5.102 4.640 -0.000 0.000 0.256 278 D C -0.885 175.537 176.300 0.203 0.000 1.214 278 D CA -1.632 52.463 54.000 0.159 0.000 0.877 278 D CB 1.414 42.309 40.800 0.158 0.000 1.111 278 D HN 0.015 nan 8.370 nan 0.000 0.478 279 P HA -0.077 nan 4.420 nan 0.000 0.228 279 P C 0.935 178.212 177.300 -0.039 0.000 1.151 279 P CA 0.752 63.700 63.100 -0.253 0.000 0.770 279 P CB 0.424 31.610 31.700 -0.857 0.000 0.786 280 K N 0.076 120.585 120.400 0.181 0.000 2.186 280 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 280 K C 1.901 178.564 176.600 0.104 0.000 1.052 280 K CA 0.851 57.257 56.287 0.198 0.000 0.965 280 K CB -1.033 31.621 32.500 0.256 0.000 0.746 280 K HN -0.074 nan 8.250 nan 0.000 0.457 281 A N 0.412 123.301 122.820 0.114 0.000 2.216 281 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 281 A C 0.714 178.344 177.584 0.076 0.000 1.160 281 A CA 0.404 52.505 52.037 0.106 0.000 0.725 281 A CB -0.442 18.647 19.000 0.147 0.000 0.784 281 A HN 0.113 nan 8.150 nan 0.000 0.472 282 V N 0.586 120.489 119.914 -0.019 0.000 2.585 282 V HA 0.334 4.454 4.120 -0.000 0.000 0.296 282 V C -0.084 175.963 176.094 -0.078 0.000 1.035 282 V CA 0.220 62.446 62.300 -0.124 0.000 1.084 282 V CB 0.568 32.115 31.823 -0.459 0.000 0.953 282 V HN 0.457 nan 8.190 nan 0.000 0.483 283 K N 5.373 125.745 120.400 -0.047 0.000 2.532 283 K HA 0.464 4.784 4.320 -0.000 0.000 0.265 283 K C -0.760 175.791 176.600 -0.082 0.000 0.948 283 K CA -0.889 55.356 56.287 -0.069 0.000 0.842 283 K CB 2.522 35.000 32.500 -0.036 0.000 1.392 283 K HN 0.751 nan 8.250 nan 0.000 0.436 284 I N 2.446 122.942 120.570 -0.122 0.000 2.813 284 I HA -0.059 4.110 4.170 -0.000 0.000 0.287 284 I C 0.265 176.334 176.117 -0.081 0.000 1.196 284 I CA 0.604 61.828 61.300 -0.126 0.000 1.421 284 I CB 0.436 38.334 38.000 -0.170 0.000 1.365 284 I HN 0.610 nan 8.210 nan 0.000 0.591 285 E N 4.297 124.455 120.200 -0.070 0.000 2.299 285 E HA 0.213 4.563 4.350 -0.000 0.000 0.260 285 E C 0.154 176.728 176.600 -0.044 0.000 0.944 285 E CA -0.666 55.706 56.400 -0.047 0.000 0.815 285 E CB 1.164 30.843 29.700 -0.034 0.000 1.252 285 E HN 0.569 nan 8.360 nan 0.000 0.418 286 E N 1.004 121.186 120.200 -0.031 0.000 2.058 286 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 286 E C 1.863 178.456 176.600 -0.013 0.000 0.997 286 E CA 2.621 59.008 56.400 -0.022 0.000 0.801 286 E CB -0.367 29.324 29.700 -0.015 0.000 0.746 286 E HN 0.575 nan 8.360 nan 0.000 0.450 287 S N -0.332 115.361 115.700 -0.011 0.000 2.442 287 S HA -0.139 4.330 4.470 -0.000 0.000 0.236 287 S C 1.873 176.488 174.600 0.024 0.000 1.007 287 S CA 1.119 59.323 58.200 0.008 0.000 0.965 287 S CB -0.307 62.892 63.200 -0.001 0.000 0.773 287 S HN 0.342 nan 8.310 nan 0.000 0.504 288 E N 1.103 121.292 120.200 -0.018 0.000 2.046 288 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 288 E C 1.984 178.597 176.600 0.021 0.000 0.982 288 E CA 1.182 57.566 56.400 -0.027 0.000 0.800 288 E CB -0.325 29.319 29.700 -0.092 0.000 0.756 288 E HN 0.551 nan 8.360 nan 0.000 0.449 289 I N 1.984 122.545 120.570 -0.015 0.000 2.118 289 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 289 I C 1.940 178.068 176.117 0.019 0.000 1.070 289 I CA 1.057 62.347 61.300 -0.017 0.000 1.327 289 I CB -0.359 37.621 38.000 -0.033 0.000 1.034 289 I HN 0.112 nan 8.210 nan 0.000 0.405 290 N N 0.017 118.739 118.700 0.036 0.000 2.244 290 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 290 N C 1.748 177.300 175.510 0.069 0.000 1.016 290 N CA 1.268 54.343 53.050 0.042 0.000 0.866 290 N CB -0.563 37.949 38.487 0.041 0.000 0.980 290 N HN 0.478 nan 8.380 nan 0.000 0.430 291 Y N 1.404 121.691 120.300 -0.023 0.000 2.200 291 Y HA -0.002 4.548 4.550 -0.000 0.000 0.290 291 Y C 2.106 178.002 175.900 -0.007 0.000 1.137 291 Y CA 1.192 59.282 58.100 -0.016 0.000 1.163 291 Y CB -0.184 38.257 38.460 -0.033 0.000 0.988 291 Y HN -0.071 nan 8.280 nan 0.000 0.518 292 L N -0.466 120.844 121.223 0.145 0.000 2.072 292 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 292 L C 2.326 179.204 176.870 0.013 0.000 1.079 292 L CA 0.950 55.828 54.840 0.063 0.000 0.752 292 L CB -0.523 41.568 42.059 0.054 0.000 0.906 292 L HN 0.281 nan 8.230 nan 0.000 0.436 293 L N -0.179 121.052 121.223 0.013 0.000 2.141 293 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 293 L C 2.458 179.375 176.870 0.077 0.000 1.094 293 L CA 0.974 55.839 54.840 0.042 0.000 0.763 293 L CB -0.688 41.378 42.059 0.011 0.000 0.908 293 L HN 0.451 nan 8.230 nan 0.000 0.437 294 N N 0.324 119.022 118.700 -0.003 0.000 2.039 294 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 294 N C 1.986 177.485 175.510 -0.019 0.000 1.044 294 N CA 1.784 54.817 53.050 -0.028 0.000 0.847 294 N CB -0.000 38.431 38.487 -0.093 0.000 1.030 294 N HN 0.178 nan 8.380 nan 0.000 0.422 295 V N 0.848 120.700 119.914 -0.104 0.000 2.407 295 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 295 V C 2.127 178.312 176.094 0.151 0.000 1.055 295 V CA 1.850 64.138 62.300 -0.019 0.000 1.049 295 V CB -0.879 30.846 31.823 -0.164 0.000 0.662 295 V HN 0.441 nan 8.190 nan 0.000 0.455 296 Y N 1.764 122.092 120.300 0.047 0.000 2.049 296 Y HA -0.260 4.290 4.550 -0.000 0.000 0.277 296 Y C 2.464 178.494 175.900 0.217 0.000 1.143 296 Y CA 2.585 60.762 58.100 0.127 0.000 1.115 296 Y CB -0.443 38.009 38.460 -0.014 0.000 0.975 296 Y HN 0.346 nan 8.280 nan 0.000 0.487 297 N N -0.666 118.167 118.700 0.223 0.000 2.453 297 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 297 N C 1.587 177.110 175.510 0.021 0.000 1.041 297 N CA 1.501 54.633 53.050 0.136 0.000 0.900 297 N CB -0.382 38.213 38.487 0.179 0.000 0.961 297 N HN 0.419 nan 8.380 nan 0.000 0.443 298 T N -0.624 113.942 114.554 0.021 0.000 2.995 298 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 298 T C 1.272 175.887 174.700 -0.141 0.000 1.091 298 T CA 0.801 62.869 62.100 -0.053 0.000 1.128 298 T CB 0.124 68.963 68.868 -0.048 0.000 0.891 298 T HN 0.412 nan 8.240 nan 0.000 0.492 299 H N -1.635 117.324 119.070 -0.185 0.000 2.615 299 H HA 0.281 4.837 4.556 -0.000 0.000 0.275 299 H C -0.121 174.893 175.328 -0.524 0.000 0.981 299 H CA 0.161 56.009 56.048 -0.333 0.000 1.252 299 H CB 0.571 30.104 29.762 -0.382 0.000 1.447 299 H HN 0.277 nan 8.280 nan 0.000 0.498 300 F N 1.053 120.796 119.950 -0.344 0.000 2.470 300 F HA 0.243 4.770 4.527 -0.000 0.000 0.329 300 F C 1.469 177.131 175.800 -0.230 0.000 1.072 300 F CA -0.690 57.077 58.000 -0.389 0.000 0.989 300 F CB 1.816 40.404 39.000 -0.686 0.000 1.193 300 F HN -0.258 nan 8.300 nan 0.000 0.481 301 K N 0.298 120.719 120.400 0.036 0.000 2.116 301 K HA -0.046 4.273 4.320 -0.000 0.000 0.203 301 K C 0.636 177.287 176.600 0.084 0.000 1.052 301 K CA 0.766 57.074 56.287 0.035 0.000 0.952 301 K CB 0.098 32.614 32.500 0.026 0.000 0.729 301 K HN 0.273 nan 8.250 nan 0.000 0.446 302 K N 2.459 122.943 120.400 0.141 0.000 2.284 302 K HA 0.037 4.357 4.320 -0.000 0.000 0.287 302 K C -0.605 176.140 176.600 0.243 0.000 1.081 302 K CA -0.008 56.373 56.287 0.156 0.000 0.910 302 K CB 0.659 33.252 32.500 0.157 0.000 1.088 302 K HN -0.005 nan 8.250 nan 0.000 0.478 303 Q N 3.883 123.793 119.800 0.183 0.000 2.235 303 Q HA 0.334 4.674 4.340 -0.000 0.000 0.250 303 Q C -0.111 175.978 176.000 0.148 0.000 0.909 303 Q CA -0.455 55.472 55.803 0.208 0.000 0.910 303 Q CB 1.621 30.426 28.738 0.112 0.000 1.223 303 Q HN 0.570 nan 8.270 nan 0.000 0.432 304 L N 1.065 122.363 121.223 0.125 0.000 2.334 304 L HA 0.515 4.855 4.340 -0.000 0.000 0.273 304 L C 0.301 177.165 176.870 -0.010 0.000 1.013 304 L CA -0.602 54.219 54.840 -0.032 0.000 0.816 304 L CB 1.902 43.803 42.059 -0.264 0.000 1.278 304 L HN 0.707 nan 8.230 nan 0.000 0.431 305 S N 0.878 116.564 115.700 -0.023 0.000 2.677 305 S HA 0.475 4.945 4.470 -0.000 0.000 0.304 305 S C 0.760 175.343 174.600 -0.028 0.000 1.108 305 S CA -0.893 57.298 58.200 -0.015 0.000 0.944 305 S CB 2.032 65.231 63.200 -0.001 0.000 1.127 305 S HN 0.623 nan 8.310 nan 0.000 0.511 306 R N 0.429 120.916 120.500 -0.020 0.000 2.165 306 R HA -0.177 4.163 4.340 -0.000 0.000 0.254 306 R C 1.027 177.316 176.300 -0.018 0.000 1.153 306 R CA 2.403 58.490 56.100 -0.022 0.000 0.971 306 R CB -0.584 29.707 30.300 -0.014 0.000 0.878 306 R HN 0.696 nan 8.270 nan 0.000 0.449 307 D N 0.005 120.399 120.400 -0.010 0.000 2.264 307 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 307 D C 1.081 177.380 176.300 -0.001 0.000 0.966 307 D CA 0.924 54.923 54.000 -0.002 0.000 0.864 307 D CB -0.184 40.618 40.800 0.002 0.000 0.933 307 D HN 0.261 nan 8.370 nan 0.000 0.499 308 D N 0.509 120.902 120.400 -0.012 0.000 2.269 308 D HA -0.014 4.625 4.640 -0.000 0.000 0.208 308 D C 0.983 177.279 176.300 -0.006 0.000 0.963 308 D CA 0.124 54.117 54.000 -0.012 0.000 0.864 308 D CB 0.321 41.098 40.800 -0.038 0.000 0.936 308 D HN 0.288 nan 8.370 nan 0.000 0.505 309 I N 1.642 122.202 120.570 -0.016 0.000 2.598 309 I HA -0.104 4.066 4.170 -0.000 0.000 0.284 309 I C 1.654 177.786 176.117 0.025 0.000 1.140 309 I CA -0.187 61.107 61.300 -0.011 0.000 1.420 309 I CB 1.315 39.294 38.000 -0.035 0.000 1.387 309 I HN -0.165 nan 8.210 nan 0.000 0.553 310 V N 3.674 123.620 119.914 0.053 0.000 3.565 310 V HA 0.274 4.394 4.120 -0.000 0.000 0.260 310 V C -0.054 176.137 176.094 0.161 0.000 1.231 310 V CA -0.096 62.248 62.300 0.073 0.000 1.100 310 V CB -0.151 31.700 31.823 0.048 0.000 0.807 310 V HN 0.804 nan 8.190 nan 0.000 0.454 311 W N 0.420 121.675 121.300 -0.075 0.000 3.066 311 W HA 0.659 5.319 4.660 -0.000 0.000 0.330 311 W C -1.469 175.013 176.519 -0.062 0.000 1.253 311 W CA 0.126 57.433 57.345 -0.064 0.000 1.187 311 W CB 1.333 30.770 29.460 -0.037 0.000 1.434 311 W HN 0.152 nan 8.180 nan 0.000 0.572 312 T N 2.127 116.262 114.554 -0.698 0.000 3.295 312 T HA 0.595 4.944 4.350 -0.000 0.000 0.331 312 T C -1.640 172.506 174.700 -0.923 0.000 1.142 312 T CA -0.542 61.142 62.100 -0.694 0.000 1.078 312 T CB 0.393 69.032 68.868 -0.382 0.000 1.150 312 T HN 0.868 nan 8.240 nan 0.000 0.465 313 Y N 0.713 120.469 120.300 -0.907 0.000 2.570 313 Y HA 0.915 5.465 4.550 -0.000 0.000 0.345 313 Y C -0.306 175.380 175.900 -0.357 0.000 1.014 313 Y CA -1.123 56.539 58.100 -0.729 0.000 1.063 313 Y CB 1.840 39.749 38.460 -0.918 0.000 1.272 313 Y HN 0.878 nan 8.280 nan 0.000 0.477 314 S N 0.426 116.053 115.700 -0.121 0.000 2.570 314 S HA 0.873 5.343 4.470 -0.000 0.000 0.270 314 S C -0.927 173.634 174.600 -0.064 0.000 1.149 314 S CA 0.039 58.169 58.200 -0.117 0.000 0.837 314 S CB 1.476 64.561 63.200 -0.191 0.000 1.124 314 S HN 1.646 nan 8.310 nan 0.000 0.465 315 G N 0.278 109.026 108.800 -0.086 0.000 2.687 315 G HA2 0.671 4.630 3.960 -0.000 0.000 0.291 315 G HA3 0.671 4.630 3.960 -0.000 0.000 0.291 315 G C -1.085 173.695 174.900 -0.200 0.000 1.420 315 G CA -0.042 44.986 45.100 -0.120 0.000 0.796 315 G HN 1.619 nan 8.290 nan 0.000 0.485 316 V N -1.525 118.247 119.914 -0.237 0.000 2.409 316 V HA 0.688 4.808 4.120 -0.000 0.000 0.291 316 V C -0.032 175.974 176.094 -0.146 0.000 1.020 316 V CA -1.260 60.888 62.300 -0.255 0.000 0.848 316 V CB 1.096 32.677 31.823 -0.402 0.000 0.990 316 V HN 0.707 nan 8.190 nan 0.000 0.430 317 R N 6.009 126.451 120.500 -0.096 0.000 2.421 317 R HA 0.308 4.648 4.340 -0.000 0.000 0.305 317 R C -2.405 173.862 176.300 -0.055 0.000 1.039 317 R CA -1.209 54.859 56.100 -0.054 0.000 1.003 317 R CB 0.620 30.901 30.300 -0.031 0.000 0.959 317 R HN 0.617 nan 8.270 nan 0.000 0.427 318 P HA 0.130 nan 4.420 nan 0.000 0.288 318 P C -0.804 176.505 177.300 0.014 0.000 1.363 318 P CA 0.027 63.114 63.100 -0.020 0.000 0.837 318 P CB 0.637 32.328 31.700 -0.015 0.000 0.981 319 L N 3.412 124.642 121.223 0.012 0.000 2.317 319 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 319 L C 0.919 177.807 176.870 0.030 0.000 1.024 319 L CA -1.083 53.760 54.840 0.004 0.000 0.810 319 L CB 1.853 43.891 42.059 -0.035 0.000 1.240 319 L HN 0.352 nan 8.230 nan 0.000 0.427 320 C N 2.285 121.600 119.300 0.024 0.000 2.538 320 C HA -0.068 4.392 4.460 -0.000 0.000 0.408 320 C C 0.707 175.672 174.990 -0.041 0.000 1.421 320 C CA -0.163 58.846 59.018 -0.014 0.000 1.642 320 C CB -0.582 27.079 27.740 -0.132 0.000 2.553 320 C HN 0.718 nan 8.230 nan 0.000 0.604 321 D N 3.747 124.135 120.400 -0.020 0.000 2.435 321 D HA 0.100 4.740 4.640 -0.000 0.000 0.230 321 D C 0.840 177.121 176.300 -0.032 0.000 1.215 321 D CA -0.136 53.851 54.000 -0.022 0.000 0.947 321 D CB 0.362 41.160 40.800 -0.004 0.000 1.048 321 D HN 0.707 nan 8.370 nan 0.000 0.512 322 D N 3.204 123.573 120.400 -0.052 0.000 2.338 322 D HA -0.075 4.564 4.640 -0.000 0.000 0.239 322 D C 0.066 176.342 176.300 -0.039 0.000 1.095 322 D CA 0.008 53.978 54.000 -0.050 0.000 0.888 322 D CB -0.153 40.604 40.800 -0.072 0.000 0.899 322 D HN 0.405 nan 8.370 nan 0.000 0.525 323 E N -1.289 118.890 120.200 -0.035 0.000 6.574 323 E HA -0.282 4.068 4.350 -0.000 0.000 0.171 323 E C 0.460 177.037 176.600 -0.038 0.000 1.464 323 E CA 1.277 57.658 56.400 -0.032 0.000 2.498 323 E CB -1.788 27.896 29.700 -0.026 0.000 1.837 323 E HN 0.489 nan 8.360 nan 0.000 0.466 324 S N -1.145 114.535 115.700 -0.033 0.000 7.319 324 S HA -0.078 4.391 4.470 -0.000 0.000 0.043 324 S C 0.678 175.261 174.600 -0.029 0.000 1.498 324 S CA 1.083 59.261 58.200 -0.037 0.000 1.012 324 S CB 0.164 63.333 63.200 -0.052 0.000 1.020 324 S HN 0.840 nan 8.310 nan 0.000 0.538 325 D N 0.752 121.133 120.400 -0.031 0.000 2.732 325 D HA -0.158 4.482 4.640 -0.000 0.000 0.245 325 D C -0.071 176.210 176.300 -0.032 0.000 0.855 325 D CA 1.340 55.325 54.000 -0.026 0.000 1.838 325 D CB -1.427 39.362 40.800 -0.018 0.000 1.321 325 D HN 0.646 nan 8.370 nan 0.000 0.656 326 S N 1.175 116.854 115.700 -0.034 0.000 2.422 326 S HA 0.483 4.953 4.470 -0.000 0.000 0.308 326 S C -1.808 172.756 174.600 -0.060 0.000 1.097 326 S CA -1.269 56.908 58.200 -0.039 0.000 1.099 326 S CB 1.926 65.112 63.200 -0.024 0.000 0.976 326 S HN -0.010 nan 8.310 nan 0.000 0.471 327 P HA -0.230 nan 4.420 nan 0.000 0.215 327 P C 1.569 178.819 177.300 -0.083 0.000 1.157 327 P CA 1.182 64.240 63.100 -0.070 0.000 0.874 327 P CB 0.029 31.691 31.700 -0.064 0.000 0.790 328 Q N -0.676 119.081 119.800 -0.072 0.000 2.368 328 Q HA -0.126 4.214 4.340 -0.000 0.000 0.210 328 Q C 1.607 177.511 176.000 -0.161 0.000 0.982 328 Q CA 1.836 57.597 55.803 -0.069 0.000 0.884 328 Q CB -0.799 27.927 28.738 -0.020 0.000 0.933 328 Q HN 0.158 nan 8.270 nan 0.000 0.460 329 A N 0.691 123.394 122.820 -0.196 0.000 2.220 329 A HA 0.267 4.587 4.320 -0.000 0.000 0.211 329 A C 0.894 178.281 177.584 -0.327 0.000 1.176 329 A CA -0.491 51.316 52.037 -0.383 0.000 0.834 329 A CB 0.011 18.894 19.000 -0.196 0.000 0.868 329 A HN 0.304 nan 8.150 nan 0.000 0.488 330 I N 0.832 121.275 120.570 -0.212 0.000 2.872 330 I HA -0.015 4.155 4.170 -0.000 0.000 0.291 330 I C 1.115 177.089 176.117 -0.238 0.000 1.216 330 I CA 0.218 61.410 61.300 -0.180 0.000 1.424 330 I CB 0.699 38.624 38.000 -0.124 0.000 1.351 330 I HN 0.083 nan 8.210 nan 0.000 0.592 331 T N 4.600 119.024 114.554 -0.217 0.000 2.919 331 T HA 0.161 4.511 4.350 -0.000 0.000 0.302 331 T C 0.943 175.485 174.700 -0.262 0.000 1.031 331 T CA -0.140 61.803 62.100 -0.262 0.000 1.127 331 T CB 0.433 69.179 68.868 -0.203 0.000 0.952 331 T HN 0.531 nan 8.240 nan 0.000 0.540 332 R N 1.970 122.244 120.500 -0.377 0.000 2.312 332 R HA 0.209 4.549 4.340 -0.000 0.000 0.205 332 R C 0.315 176.515 176.300 -0.167 0.000 0.904 332 R CA -0.198 55.728 56.100 -0.290 0.000 1.052 332 R CB 0.139 30.164 30.300 -0.457 0.000 1.014 332 R HN 0.617 nan 8.270 nan 0.000 0.503 333 D N 0.136 120.417 120.400 -0.198 0.000 2.400 333 D HA -0.083 4.556 4.640 -0.000 0.000 0.238 333 D C -0.489 175.744 176.300 -0.111 0.000 1.157 333 D CA 0.059 53.954 54.000 -0.176 0.000 0.889 333 D CB 0.516 41.160 40.800 -0.261 0.000 1.199 333 D HN 0.031 nan 8.370 nan 0.000 0.436 334 Y N -0.856 119.405 120.300 -0.065 0.000 2.335 334 Y HA 0.584 5.134 4.550 -0.000 0.000 0.323 334 Y C -0.055 175.820 175.900 -0.042 0.000 1.224 334 Y CA -0.868 57.211 58.100 -0.035 0.000 1.241 334 Y CB 0.728 39.187 38.460 -0.001 0.000 1.235 334 Y HN 0.021 nan 8.280 nan 0.000 0.492 335 T N 4.399 119.028 114.554 0.125 0.000 2.824 335 T HA 0.580 4.930 4.350 -0.000 0.000 0.282 335 T C -0.761 174.105 174.700 0.277 0.000 0.993 335 T CA -0.699 61.421 62.100 0.033 0.000 0.967 335 T CB 0.753 69.395 68.868 -0.377 0.000 0.960 335 T HN 0.600 nan 8.240 nan 0.000 0.441 336 L N 2.656 124.075 121.223 0.326 0.000 2.329 336 L HA 0.670 5.010 4.340 -0.000 0.000 0.279 336 L C -0.397 176.691 176.870 0.363 0.000 1.014 336 L CA -0.908 54.149 54.840 0.362 0.000 0.814 336 L CB 1.826 44.083 42.059 0.330 0.000 1.257 336 L HN 0.582 nan 8.230 nan 0.000 0.424 337 D N 2.195 122.852 120.400 0.429 0.000 2.498 337 D HA 0.608 5.248 4.640 -0.000 0.000 0.247 337 D C -1.336 175.162 176.300 0.330 0.000 1.070 337 D CA -0.369 53.876 54.000 0.407 0.000 0.842 337 D CB 2.299 43.403 40.800 0.508 0.000 1.361 337 D HN 0.435 nan 8.370 nan 0.000 0.484 338 I N 3.248 123.985 120.570 0.279 0.000 2.465 338 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 338 I C -1.710 174.588 176.117 0.302 0.000 1.014 338 I CA -0.439 61.006 61.300 0.243 0.000 1.093 338 I CB 1.340 39.441 38.000 0.170 0.000 1.267 338 I HN 0.482 nan 8.210 nan 0.000 0.431 339 H N 5.443 124.610 119.070 0.162 0.000 2.954 339 H HA 0.380 4.936 4.556 -0.000 0.000 0.361 339 H C -1.807 173.606 175.328 0.143 0.000 1.122 339 H CA -0.621 55.523 56.048 0.161 0.000 1.217 339 H CB 1.940 31.814 29.762 0.186 0.000 1.776 339 H HN 0.804 nan 8.280 nan 0.000 0.533 340 D N 1.905 122.202 120.400 -0.173 0.000 2.689 340 D HA 0.324 4.964 4.640 -0.000 0.000 0.255 340 D C -0.711 175.525 176.300 -0.106 0.000 1.113 340 D CA -0.792 53.172 54.000 -0.059 0.000 1.115 340 D CB 1.735 42.556 40.800 0.035 0.000 1.334 340 D HN 0.465 nan 8.370 nan 0.000 0.621 341 E N -0.601 119.572 120.200 -0.045 0.000 2.343 341 E HA 0.321 4.671 4.350 -0.000 0.000 0.260 341 E C -1.070 175.510 176.600 -0.034 0.000 0.908 341 E CA -0.658 55.716 56.400 -0.043 0.000 0.814 341 E CB -0.017 29.644 29.700 -0.065 0.000 1.302 341 E HN 0.447 nan 8.360 nan 0.000 0.408 342 N N 3.543 122.229 118.700 -0.023 0.000 2.758 342 N HA -0.196 4.543 4.740 -0.000 0.000 0.248 342 N C 0.683 176.194 175.510 0.001 0.000 1.076 342 N CA 1.305 54.346 53.050 -0.015 0.000 0.696 342 N CB -1.505 36.968 38.487 -0.023 0.000 0.979 342 N HN 1.040 nan 8.380 nan 0.000 0.550 343 G N -1.201 107.614 108.800 0.024 0.000 2.225 343 G HA2 -0.387 3.572 3.960 -0.000 0.000 0.272 343 G HA3 -0.387 3.572 3.960 -0.000 0.000 0.272 343 G C 0.289 175.286 174.900 0.162 0.000 0.996 343 G CA 1.587 46.738 45.100 0.086 0.000 0.710 343 G HN 0.618 nan 8.290 nan 0.000 0.522 344 K N -1.180 119.272 120.400 0.087 0.000 2.331 344 K HA 0.719 5.039 4.320 -0.000 0.000 0.238 344 K C 0.841 177.422 176.600 -0.033 0.000 1.058 344 K CA -0.694 55.630 56.287 0.060 0.000 0.871 344 K CB 1.546 34.042 32.500 -0.008 0.000 1.292 344 K HN 1.262 nan 8.250 nan 0.000 0.470 345 A N 1.449 124.227 122.820 -0.071 0.000 2.312 345 A HA -0.103 4.217 4.320 -0.000 0.000 0.286 345 A C -2.226 175.447 177.584 0.149 0.000 1.425 345 A CA -0.019 51.963 52.037 -0.092 0.000 0.748 345 A CB -1.874 16.774 19.000 -0.588 0.000 1.126 345 A HN 0.333 nan 8.150 nan 0.000 0.368 346 P HA 0.388 nan 4.420 nan 0.000 0.270 346 P C -0.368 177.079 177.300 0.245 0.000 1.223 346 P CA -0.044 62.986 63.100 -0.118 0.000 0.785 346 P CB 0.875 32.124 31.700 -0.751 0.000 0.923 347 L N 2.736 124.077 121.223 0.197 0.000 2.446 347 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 347 L C -1.356 175.588 176.870 0.124 0.000 0.975 347 L CA -0.751 54.166 54.840 0.128 0.000 0.848 347 L CB 1.065 43.276 42.059 0.254 0.000 1.225 347 L HN 0.218 nan 8.230 nan 0.000 0.410 348 L N 4.802 126.051 121.223 0.043 0.000 2.282 348 L HA 0.805 5.145 4.340 -0.000 0.000 0.288 348 L C -0.380 176.536 176.870 0.076 0.000 1.033 348 L CA 0.121 55.013 54.840 0.087 0.000 0.807 348 L CB 1.472 43.559 42.059 0.047 0.000 1.209 348 L HN 0.858 nan 8.230 nan 0.000 0.423 349 S N 3.676 119.493 115.700 0.194 0.000 2.513 349 S HA 0.776 5.246 4.470 -0.000 0.000 0.299 349 S C -0.838 173.812 174.600 0.084 0.000 1.087 349 S CA -0.828 57.468 58.200 0.161 0.000 1.012 349 S CB 1.960 65.462 63.200 0.503 0.000 1.044 349 S HN 0.334 nan 8.310 nan 0.000 0.485 350 V N 2.834 122.636 119.914 -0.187 0.000 2.409 350 V HA 0.526 4.646 4.120 -0.000 0.000 0.291 350 V C -1.401 174.460 176.094 -0.389 0.000 1.020 350 V CA -0.538 61.684 62.300 -0.132 0.000 0.848 350 V CB 0.723 32.493 31.823 -0.087 0.000 0.990 350 V HN 0.880 nan 8.190 nan 0.000 0.430 351 F N 3.158 123.160 119.950 0.086 0.000 2.427 351 F HA 0.769 5.295 4.527 -0.000 0.000 0.348 351 F C 0.900 176.718 175.800 0.030 0.000 1.125 351 F CA 0.288 58.311 58.000 0.039 0.000 0.989 351 F CB 1.684 40.652 39.000 -0.052 0.000 1.165 351 F HN 0.850 nan 8.300 nan 0.000 0.442 352 G N 1.629 110.510 108.800 0.134 0.000 2.750 352 G HA2 0.368 4.328 3.960 -0.000 0.000 0.228 352 G HA3 0.368 4.328 3.960 -0.000 0.000 0.228 352 G C -0.135 174.829 174.900 0.106 0.000 1.367 352 G CA -0.244 44.916 45.100 0.100 0.000 0.871 352 G HN 1.928 nan 8.290 nan 0.000 0.560 353 G N -0.939 107.933 108.800 0.119 0.000 3.071 353 G HA2 0.406 4.366 3.960 -0.000 0.000 0.620 353 G HA3 0.406 4.366 3.960 -0.000 0.000 0.620 353 G C -0.264 174.677 174.900 0.067 0.000 1.204 353 G CA 0.461 45.625 45.100 0.107 0.000 1.200 353 G HN 0.871 nan 8.290 nan 0.000 0.530 354 K N 1.139 121.600 120.400 0.100 0.000 2.397 354 K HA 0.246 4.566 4.320 -0.000 0.000 0.265 354 K C 1.582 178.235 176.600 0.088 0.000 0.982 354 K CA -0.487 55.863 56.287 0.105 0.000 0.931 354 K CB 0.906 33.497 32.500 0.151 0.000 0.943 354 K HN 0.304 nan 8.250 nan 0.000 0.501 355 L N 2.032 123.301 121.223 0.076 0.000 2.131 355 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 355 L C 2.116 179.075 176.870 0.148 0.000 1.092 355 L CA 1.817 56.697 54.840 0.066 0.000 0.759 355 L CB -0.299 41.749 42.059 -0.019 0.000 0.903 355 L HN 0.799 nan 8.230 nan 0.000 0.435 356 T N -1.675 112.954 114.554 0.125 0.000 2.684 356 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 356 T C 1.585 176.321 174.700 0.061 0.000 1.036 356 T CA 1.961 64.124 62.100 0.104 0.000 1.148 356 T CB -0.415 68.511 68.868 0.097 0.000 0.863 356 T HN 0.581 nan 8.240 nan 0.000 0.436 357 T N 0.002 114.587 114.554 0.052 0.000 3.144 357 T HA 0.067 4.417 4.350 -0.000 0.000 0.249 357 T C 1.664 176.282 174.700 -0.137 0.000 1.089 357 T CA 0.011 62.101 62.100 -0.017 0.000 0.989 357 T CB -0.734 68.192 68.868 0.097 0.000 0.992 357 T HN 0.631 nan 8.240 nan 0.000 0.540 358 Y N 1.801 122.026 120.300 -0.124 0.000 2.207 358 Y HA -0.009 4.541 4.550 -0.000 0.000 0.287 358 Y C 2.468 178.263 175.900 -0.175 0.000 1.156 358 Y CA 1.053 59.050 58.100 -0.171 0.000 1.182 358 Y CB -0.417 37.963 38.460 -0.133 0.000 0.979 358 Y HN 0.144 nan 8.280 nan 0.000 0.521 359 R N 0.798 120.554 120.500 -1.240 0.000 2.090 359 R HA -0.096 4.244 4.340 -0.000 0.000 0.228 359 R C 2.180 178.215 176.300 -0.442 0.000 1.110 359 R CA 1.278 56.799 56.100 -0.966 0.000 0.973 359 R CB -0.082 29.663 30.300 -0.925 0.000 0.869 359 R HN 0.325 nan 8.270 nan 0.000 0.440 360 K N 0.586 120.782 120.400 -0.339 0.000 2.103 360 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 360 K C 2.013 178.539 176.600 -0.123 0.000 1.052 360 K CA 0.578 56.768 56.287 -0.161 0.000 0.945 360 K CB -0.206 32.246 32.500 -0.080 0.000 0.722 360 K HN 0.141 nan 8.250 nan 0.000 0.443 361 L N 1.285 122.318 121.223 -0.317 0.000 2.046 361 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 361 L C 2.045 178.799 176.870 -0.194 0.000 1.077 361 L CA 2.029 56.562 54.840 -0.512 0.000 0.747 361 L CB -1.150 40.421 42.059 -0.814 0.000 0.896 361 L HN 0.054 nan 8.230 nan 0.000 0.432 362 A N -0.906 121.814 122.820 -0.167 0.000 1.968 362 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 362 A C 2.140 179.689 177.584 -0.057 0.000 1.169 362 A CA 1.251 53.234 52.037 -0.091 0.000 0.638 362 A CB -0.438 18.514 19.000 -0.081 0.000 0.812 362 A HN 0.595 nan 8.150 nan 0.000 0.446 363 E N -0.897 119.264 120.200 -0.065 0.000 2.015 363 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 363 E C 1.931 178.568 176.600 0.061 0.000 0.991 363 E CA 1.506 57.892 56.400 -0.023 0.000 0.802 363 E CB -0.425 29.251 29.700 -0.039 0.000 0.759 363 E HN 0.828 nan 8.360 nan 0.000 0.447 364 H N 0.921 119.996 119.070 0.008 0.000 2.353 364 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 364 H C 1.868 177.241 175.328 0.076 0.000 1.103 364 H CA 2.156 58.244 56.048 0.067 0.000 1.293 364 H CB -0.236 29.606 29.762 0.134 0.000 1.372 364 H HN 0.176 nan 8.280 nan 0.000 0.501 365 A N 0.460 123.288 122.820 0.015 0.000 1.940 365 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 365 A C 2.305 179.880 177.584 -0.015 0.000 1.176 365 A CA 1.641 53.664 52.037 -0.023 0.000 0.631 365 A CB -0.568 18.431 19.000 -0.002 0.000 0.814 365 A HN 0.449 nan 8.150 nan 0.000 0.446 366 L N -0.550 120.675 121.223 0.004 0.000 2.270 366 L HA -0.058 4.281 4.340 -0.000 0.000 0.210 366 L C 2.366 179.267 176.870 0.053 0.000 1.104 366 L CA 1.636 56.497 54.840 0.035 0.000 0.804 366 L CB -1.225 40.858 42.059 0.039 0.000 0.937 366 L HN 0.649 nan 8.230 nan 0.000 0.450 367 E N 0.893 121.106 120.200 0.021 0.000 2.033 367 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 367 E C 1.980 178.598 176.600 0.030 0.000 1.011 367 E CA 1.690 58.104 56.400 0.025 0.000 0.815 367 E CB 0.155 29.862 29.700 0.011 0.000 0.755 367 E HN 0.408 nan 8.360 nan 0.000 0.451 368 K N 0.024 120.405 120.400 -0.033 0.000 2.074 368 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 368 K C 2.272 178.993 176.600 0.202 0.000 1.048 368 K CA 1.353 57.672 56.287 0.053 0.000 0.926 368 K CB -0.201 32.298 32.500 -0.001 0.000 0.713 368 K HN 0.230 nan 8.250 nan 0.000 0.444 369 L N 0.711 122.058 121.223 0.205 0.000 2.478 369 L HA -0.069 4.271 4.340 -0.000 0.000 0.223 369 L C 2.146 179.328 176.870 0.519 0.000 1.140 369 L CA 0.556 55.614 54.840 0.365 0.000 0.842 369 L CB -0.357 41.880 42.059 0.298 0.000 0.953 369 L HN 0.173 nan 8.230 nan 0.000 0.452 370 T N 0.453 115.198 114.554 0.318 0.000 2.622 370 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 370 T C -0.405 174.408 174.700 0.189 0.000 1.047 370 T CA 1.529 63.783 62.100 0.257 0.000 1.159 370 T CB -1.034 67.920 68.868 0.144 0.000 0.863 370 T HN 0.179 nan 8.240 nan 0.000 0.422 371 P HA -0.151 nan 4.420 nan 0.000 0.219 371 P C 0.578 177.692 177.300 -0.310 0.000 1.149 371 P CA 1.439 64.411 63.100 -0.213 0.000 0.835 371 P CB -0.272 31.158 31.700 -0.451 0.000 0.778 372 Y N -3.986 116.295 120.300 -0.031 0.000 2.511 372 Y HA 0.101 4.651 4.550 -0.000 0.000 0.279 372 Y C 0.879 176.517 175.900 -0.438 0.000 1.157 372 Y CA 0.138 58.081 58.100 -0.261 0.000 1.300 372 Y CB -0.282 37.945 38.460 -0.388 0.000 1.052 372 Y HN -0.011 nan 8.280 nan 0.000 0.529 373 Y N -1.576 118.806 120.300 0.137 0.000 2.665 373 Y HA 0.305 4.855 4.550 -0.000 0.000 0.336 373 Y C 0.806 176.736 175.900 0.050 0.000 1.085 373 Y CA -1.558 56.598 58.100 0.094 0.000 1.096 373 Y CB 0.845 39.366 38.460 0.101 0.000 1.301 373 Y HN -0.363 nan 8.280 nan 0.000 0.493 374 Q N 0.766 120.688 119.800 0.204 0.000 1.775 374 Q HA 0.238 4.578 4.340 -0.000 0.000 0.303 374 Q C 1.104 177.148 176.000 0.073 0.000 0.954 374 Q CA 1.340 57.206 55.803 0.105 0.000 0.883 374 Q CB -0.836 27.955 28.738 0.089 0.000 0.916 374 Q HN 1.082 nan 8.270 nan 0.000 0.427 375 G N 1.007 109.844 108.800 0.061 0.000 2.248 375 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.252 375 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.252 375 G C -0.351 174.596 174.900 0.078 0.000 1.085 375 G CA 0.390 45.528 45.100 0.063 0.000 0.845 375 G HN 0.263 nan 8.290 nan 0.000 0.494 376 I N 0.877 121.487 120.570 0.066 0.000 2.605 376 I HA 0.561 4.731 4.170 -0.000 0.000 0.276 376 I C 0.752 176.898 176.117 0.048 0.000 1.161 376 I CA 0.345 61.680 61.300 0.059 0.000 1.064 376 I CB 0.593 38.658 38.000 0.109 0.000 1.238 376 I HN 0.522 nan 8.210 nan 0.000 0.487 377 G N 7.212 116.023 108.800 0.019 0.000 2.825 377 G HA2 0.265 4.225 3.960 -0.000 0.000 0.241 377 G HA3 0.265 4.225 3.960 -0.000 0.000 0.241 377 G C -2.636 172.312 174.900 0.080 0.000 1.239 377 G CA -0.385 44.731 45.100 0.026 0.000 0.859 377 G HN 0.405 nan 8.290 nan 0.000 0.598 378 P HA 0.460 nan 4.420 nan 0.000 0.285 378 P C 0.059 177.482 177.300 0.205 0.000 1.280 378 P CA -0.177 62.998 63.100 0.126 0.000 0.862 378 P CB 1.192 32.947 31.700 0.092 0.000 1.153 379 A N 1.698 124.617 122.820 0.164 0.000 2.644 379 A HA -0.013 4.307 4.320 -0.000 0.000 0.225 379 A C 0.751 178.487 177.584 0.253 0.000 1.122 379 A CA 1.170 53.291 52.037 0.140 0.000 0.876 379 A CB -0.919 18.115 19.000 0.057 0.000 0.972 379 A HN 0.978 nan 8.150 nan 0.000 0.494 380 W N -0.696 120.605 121.300 0.002 0.000 0.961 380 W HA -0.046 4.614 4.660 -0.000 0.000 0.146 380 W C 0.838 177.359 176.519 0.003 0.000 0.655 380 W CA 0.763 58.111 57.345 0.004 0.000 0.539 380 W CB -1.062 28.401 29.460 0.005 0.000 0.697 380 W HN 0.950 nan 8.180 nan 0.000 0.433 381 T N -0.770 113.366 114.554 -0.697 0.000 3.043 381 T HA 0.022 4.372 4.350 -0.000 0.000 0.263 381 T C 1.610 176.113 174.700 -0.327 0.000 1.094 381 T CA 1.464 63.092 62.100 -0.787 0.000 1.127 381 T CB -0.028 68.290 68.868 -0.916 0.000 0.905 381 T HN 0.111 nan 8.240 nan 0.000 0.490 382 K N 1.069 121.342 120.400 -0.212 0.000 2.160 382 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 382 K C 1.255 177.826 176.600 -0.048 0.000 1.047 382 K CA 1.328 57.547 56.287 -0.114 0.000 0.930 382 K CB 0.079 32.534 32.500 -0.074 0.000 0.720 382 K HN 0.307 nan 8.250 nan 0.000 0.450 383 E N 0.443 120.640 120.200 -0.005 0.000 2.496 383 E HA 0.033 4.382 4.350 -0.000 0.000 0.200 383 E C 0.036 176.687 176.600 0.084 0.000 1.016 383 E CA -0.034 56.394 56.400 0.047 0.000 0.962 383 E CB 0.874 30.617 29.700 0.073 0.000 1.071 383 E HN 0.262 nan 8.360 nan 0.000 0.457 384 S N -0.855 114.883 115.700 0.063 0.000 2.776 384 S HA 0.691 5.161 4.470 -0.000 0.000 0.306 384 S C -0.024 174.626 174.600 0.083 0.000 1.114 384 S CA -0.676 57.599 58.200 0.124 0.000 0.973 384 S CB 1.965 65.305 63.200 0.234 0.000 1.250 384 S HN -0.120 nan 8.310 nan 0.000 0.549 385 V N 1.355 121.335 119.914 0.110 0.000 2.610 385 V HA 0.354 4.474 4.120 -0.000 0.000 0.298 385 V C -0.576 175.583 176.094 0.108 0.000 1.067 385 V CA -0.630 61.726 62.300 0.094 0.000 0.894 385 V CB 1.432 33.301 31.823 0.077 0.000 1.015 385 V HN 0.878 nan 8.190 nan 0.000 0.432 386 L N 5.692 126.985 121.223 0.118 0.000 2.467 386 L HA 0.298 4.638 4.340 -0.000 0.000 0.270 386 L C -2.023 174.912 176.870 0.108 0.000 1.205 386 L CA -1.438 53.483 54.840 0.135 0.000 0.828 386 L CB 0.652 42.810 42.059 0.165 0.000 1.101 386 L HN 0.394 nan 8.230 nan 0.000 0.479 387 P HA -0.055 nan 4.420 nan 0.000 0.259 387 P C 0.616 177.905 177.300 -0.018 0.000 1.163 387 P CA 1.192 64.331 63.100 0.064 0.000 0.760 387 P CB 0.394 32.161 31.700 0.112 0.000 0.762 388 G N 2.802 111.510 108.800 -0.152 0.000 2.175 388 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 388 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 388 G C 1.005 175.413 174.900 -0.820 0.000 0.982 388 G CA 0.035 44.862 45.100 -0.454 0.000 0.641 388 G HN 0.770 nan 8.290 nan 0.000 0.527 389 G N -0.029 108.552 108.800 -0.364 0.000 3.088 389 G HA2 0.510 4.470 3.960 -0.000 0.000 0.217 389 G HA3 0.510 4.470 3.960 -0.000 0.000 0.217 389 G C 0.927 175.779 174.900 -0.080 0.000 1.159 389 G CA 1.057 46.082 45.100 -0.125 0.000 0.760 389 G HN 1.559 nan 8.290 nan 0.000 0.550 390 A N 1.468 124.217 122.820 -0.120 0.000 3.135 390 A HA 0.573 4.893 4.320 -0.000 0.000 0.253 390 A C 0.898 178.434 177.584 -0.080 0.000 1.638 390 A CA -0.546 51.457 52.037 -0.057 0.000 1.295 390 A CB -0.908 18.075 19.000 -0.028 0.000 1.106 390 A HN 0.494 nan 8.150 nan 0.000 0.648 391 I N -3.191 117.317 120.570 -0.104 0.000 3.783 391 I HA 0.581 4.751 4.170 -0.000 0.000 0.272 391 I C -0.251 175.901 176.117 0.058 0.000 1.329 391 I CA -0.844 60.416 61.300 -0.068 0.000 0.887 391 I CB 0.893 38.784 38.000 -0.182 0.000 1.596 391 I HN 0.290 nan 8.210 nan 0.000 0.712 392 E N 0.538 120.811 120.200 0.121 0.000 3.011 392 E HA 0.494 4.844 4.350 -0.000 0.000 0.315 392 E C -0.308 176.349 176.600 0.094 0.000 1.176 392 E CA -0.279 56.177 56.400 0.093 0.000 0.819 392 E CB 1.081 30.833 29.700 0.086 0.000 1.508 392 E HN 1.109 nan 8.360 nan 0.000 0.381 393 G N 2.287 111.139 108.800 0.087 0.000 2.217 393 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.126 393 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.126 393 G C -1.425 173.529 174.900 0.090 0.000 1.293 393 G CA -0.726 44.423 45.100 0.082 0.000 1.219 393 G HN 0.324 nan 8.290 nan 0.000 0.477 394 D N -0.002 120.453 120.400 0.092 0.000 2.268 394 D HA 0.549 5.189 4.640 -0.000 0.000 0.249 394 D C 1.861 178.228 176.300 0.112 0.000 1.008 394 D CA -0.267 53.784 54.000 0.086 0.000 0.939 394 D CB 1.155 41.988 40.800 0.056 0.000 1.170 394 D HN 0.554 nan 8.370 nan 0.000 0.468 395 R N 1.129 121.688 120.500 0.098 0.000 2.105 395 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 395 R C 0.481 176.845 176.300 0.106 0.000 1.135 395 R CA 1.133 57.302 56.100 0.116 0.000 0.967 395 R CB -0.239 30.111 30.300 0.085 0.000 0.861 395 R HN 0.420 nan 8.270 nan 0.000 0.442 396 D N 1.120 121.546 120.400 0.043 0.000 2.144 396 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 396 D C 1.377 177.696 176.300 0.031 0.000 0.978 396 D CA 1.089 55.097 54.000 0.014 0.000 0.833 396 D CB -0.181 40.606 40.800 -0.023 0.000 0.961 396 D HN 0.250 nan 8.370 nan 0.000 0.470 397 D N -0.295 120.136 120.400 0.053 0.000 2.117 397 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 397 D C 1.917 178.262 176.300 0.074 0.000 0.982 397 D CA 0.518 54.548 54.000 0.051 0.000 0.828 397 D CB -0.439 40.394 40.800 0.055 0.000 0.967 397 D HN 0.272 nan 8.370 nan 0.000 0.464 398 Y N 1.671 121.982 120.300 0.017 0.000 2.256 398 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 398 Y C 2.248 178.161 175.900 0.022 0.000 1.155 398 Y CA 1.568 59.683 58.100 0.025 0.000 1.203 398 Y CB -0.126 38.358 38.460 0.040 0.000 0.980 398 Y HN -0.050 nan 8.280 nan 0.000 0.530 399 A N -0.361 122.508 122.820 0.082 0.000 1.970 399 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 399 A C 2.358 179.898 177.584 -0.073 0.000 1.170 399 A CA 1.240 53.286 52.037 0.015 0.000 0.645 399 A CB -1.197 17.823 19.000 0.034 0.000 0.816 399 A HN 0.514 nan 8.150 nan 0.000 0.447 400 A N 0.405 123.185 122.820 -0.066 0.000 1.841 400 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 400 A C 2.178 179.687 177.584 -0.124 0.000 1.195 400 A CA 1.510 53.498 52.037 -0.082 0.000 0.611 400 A CB -0.560 18.405 19.000 -0.057 0.000 0.835 400 A HN 0.511 nan 8.150 nan 0.000 0.443 401 R N -1.101 119.305 120.500 -0.157 0.000 2.119 401 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 401 R C 2.038 178.187 176.300 -0.252 0.000 1.146 401 R CA 1.607 57.582 56.100 -0.208 0.000 0.962 401 R CB -0.688 29.471 30.300 -0.235 0.000 0.863 401 R HN 0.460 nan 8.270 nan 0.000 0.442 402 L N 0.882 121.908 121.223 -0.329 0.000 2.046 402 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 402 L C 2.302 179.141 176.870 -0.052 0.000 1.077 402 L CA 1.754 56.485 54.840 -0.182 0.000 0.747 402 L CB -0.314 41.644 42.059 -0.168 0.000 0.896 402 L HN 0.033 nan 8.230 nan 0.000 0.432 403 R N -1.302 119.134 120.500 -0.107 0.000 2.153 403 R HA -0.059 4.281 4.340 -0.000 0.000 0.218 403 R C 2.443 178.673 176.300 -0.116 0.000 1.072 403 R CA 0.638 56.670 56.100 -0.113 0.000 0.990 403 R CB -0.026 30.206 30.300 -0.113 0.000 0.889 403 R HN 0.303 nan 8.270 nan 0.000 0.452 404 R N 0.085 120.515 120.500 -0.117 0.000 2.082 404 R HA -0.122 4.217 4.340 -0.000 0.000 0.234 404 R C 2.323 178.532 176.300 -0.151 0.000 1.136 404 R CA 1.342 57.372 56.100 -0.116 0.000 0.935 404 R CB -0.213 30.021 30.300 -0.110 0.000 0.842 404 R HN -0.016 nan 8.270 nan 0.000 0.430 405 R N 0.353 120.730 120.500 -0.204 0.000 2.096 405 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 405 R C -0.156 175.851 176.300 -0.488 0.000 1.127 405 R CA 1.560 57.441 56.100 -0.366 0.000 0.968 405 R CB -0.108 29.923 30.300 -0.447 0.000 0.861 405 R HN 0.212 nan 8.270 nan 0.000 0.440 406 Y N -0.069 120.116 120.300 -0.193 0.000 2.526 406 Y HA 0.338 4.888 4.550 -0.000 0.000 0.328 406 Y C -1.763 173.870 175.900 -0.446 0.000 0.995 406 Y CA -2.327 55.584 58.100 -0.314 0.000 1.304 406 Y CB 2.213 40.395 38.460 -0.465 0.000 1.096 406 Y HN 0.067 nan 8.280 nan 0.000 0.499 407 P HA 0.034 nan 4.420 nan 0.000 0.267 407 P C 0.945 178.198 177.300 -0.079 0.000 1.289 407 P CA 0.030 63.055 63.100 -0.125 0.000 0.866 407 P CB -0.212 31.457 31.700 -0.051 0.000 1.309 408 F N -1.001 118.951 119.950 0.004 0.000 2.641 408 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 408 F C 0.527 176.302 175.800 -0.041 0.000 1.146 408 F CA -0.213 57.773 58.000 -0.024 0.000 1.464 408 F CB -1.259 37.721 39.000 -0.034 0.000 1.101 408 F HN -0.287 nan 8.300 nan 0.000 0.585 409 L N 3.170 124.082 121.223 -0.519 0.000 2.361 409 L HA 0.185 4.525 4.340 -0.000 0.000 0.278 409 L C 1.009 177.771 176.870 -0.180 0.000 1.113 409 L CA -0.579 54.053 54.840 -0.347 0.000 0.849 409 L CB 0.517 42.332 42.059 -0.408 0.000 1.155 409 L HN 0.281 nan 8.230 nan 0.000 0.452 410 T N -0.802 113.681 114.554 -0.119 0.000 2.788 410 T HA -0.043 4.307 4.350 -0.000 0.000 0.333 410 T C 0.986 175.604 174.700 -0.136 0.000 1.090 410 T CA -0.317 61.716 62.100 -0.111 0.000 1.094 410 T CB 0.751 69.555 68.868 -0.106 0.000 0.999 410 T HN 0.648 nan 8.240 nan 0.000 0.549 411 E N 0.584 120.714 120.200 -0.117 0.000 2.204 411 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 411 E C 2.490 179.009 176.600 -0.134 0.000 0.989 411 E CA 1.159 57.490 56.400 -0.114 0.000 0.824 411 E CB -0.142 29.503 29.700 -0.093 0.000 0.756 411 E HN 0.823 nan 8.360 nan 0.000 0.477 412 S N 1.090 116.694 115.700 -0.160 0.000 2.357 412 S HA -0.109 4.361 4.470 -0.000 0.000 0.221 412 S C 2.045 176.509 174.600 -0.228 0.000 1.031 412 S CA 0.441 58.522 58.200 -0.200 0.000 0.982 412 S CB -0.464 62.585 63.200 -0.251 0.000 0.853 412 S HN 0.180 nan 8.310 nan 0.000 0.458 413 L N 1.523 122.586 121.223 -0.268 0.000 1.989 413 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 413 L C 3.093 179.730 176.870 -0.390 0.000 1.071 413 L CA 1.736 56.346 54.840 -0.384 0.000 0.749 413 L CB -1.055 40.780 42.059 -0.373 0.000 0.890 413 L HN 0.493 nan 8.230 nan 0.000 0.431 414 A N -0.260 122.411 122.820 -0.248 0.000 1.917 414 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 414 A C 2.314 179.872 177.584 -0.043 0.000 1.182 414 A CA 2.040 53.999 52.037 -0.130 0.000 0.633 414 A CB -0.624 18.313 19.000 -0.104 0.000 0.819 414 A HN 0.396 nan 8.150 nan 0.000 0.448 415 R N -1.735 118.727 120.500 -0.063 0.000 2.083 415 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 415 R C 2.256 178.570 176.300 0.024 0.000 1.137 415 R CA 1.928 58.013 56.100 -0.024 0.000 0.951 415 R CB -0.449 29.812 30.300 -0.064 0.000 0.851 415 R HN 0.818 nan 8.270 nan 0.000 0.434 416 H N -0.867 118.132 119.070 -0.119 0.000 2.290 416 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 416 H C 1.478 176.879 175.328 0.121 0.000 1.087 416 H CA 2.157 58.168 56.048 -0.061 0.000 1.291 416 H CB -0.237 29.434 29.762 -0.151 0.000 1.369 416 H HN 0.210 nan 8.280 nan 0.000 0.492 417 Y N 0.058 120.376 120.300 0.030 0.000 2.242 417 Y HA 0.018 4.568 4.550 -0.000 0.000 0.291 417 Y C 2.819 178.754 175.900 0.058 0.000 1.137 417 Y CA 0.853 58.986 58.100 0.055 0.000 1.181 417 Y CB -1.196 37.318 38.460 0.090 0.000 0.989 417 Y HN 0.431 nan 8.280 nan 0.000 0.527 418 A N 0.147 123.119 122.820 0.253 0.000 1.898 418 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 418 A C 2.296 179.963 177.584 0.138 0.000 1.181 418 A CA 1.485 53.680 52.037 0.264 0.000 0.620 418 A CB -0.499 18.682 19.000 0.301 0.000 0.819 418 A HN 0.363 nan 8.150 nan 0.000 0.442 419 R N -1.302 119.247 120.500 0.081 0.000 2.236 419 R HA -0.013 4.327 4.340 -0.000 0.000 0.208 419 R C 2.207 178.519 176.300 0.020 0.000 1.036 419 R CA 1.417 57.557 56.100 0.066 0.000 1.001 419 R CB -0.164 30.162 30.300 0.043 0.000 0.896 419 R HN 0.663 nan 8.270 nan 0.000 0.464 420 T N -1.946 112.527 114.554 -0.135 0.000 3.071 420 T HA 0.014 4.363 4.350 -0.000 0.000 0.239 420 T C 1.269 175.763 174.700 -0.344 0.000 0.997 420 T CA 0.323 62.219 62.100 -0.339 0.000 1.134 420 T CB -0.017 68.487 68.868 -0.606 0.000 0.928 420 T HN 0.131 nan 8.240 nan 0.000 0.453 421 Y N 1.545 121.872 120.300 0.045 0.000 2.503 421 Y HA 0.460 5.010 4.550 -0.000 0.000 0.278 421 Y C 2.133 177.975 175.900 -0.096 0.000 1.111 421 Y CA -0.121 57.974 58.100 -0.008 0.000 1.270 421 Y CB -0.437 37.913 38.460 -0.183 0.000 1.063 421 Y HN 0.564 nan 8.280 nan 0.000 0.548 422 G N 0.802 109.599 108.800 -0.006 0.000 2.583 422 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.292 422 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.292 422 G C 1.435 176.066 174.900 -0.449 0.000 1.203 422 G CA 1.093 46.001 45.100 -0.319 0.000 0.987 422 G HN 0.584 nan 8.290 nan 0.000 0.554 423 S N 0.364 115.761 115.700 -0.505 0.000 2.500 423 S HA -0.074 4.396 4.470 -0.000 0.000 0.239 423 S C 1.592 176.128 174.600 -0.106 0.000 0.989 423 S CA 1.808 59.846 58.200 -0.269 0.000 0.951 423 S CB -0.402 62.674 63.200 -0.207 0.000 0.759 423 S HN 0.711 nan 8.310 nan 0.000 0.523 424 N N 1.193 119.828 118.700 -0.109 0.000 2.515 424 N HA 0.084 4.824 4.740 -0.000 0.000 0.185 424 N C 1.312 176.664 175.510 -0.264 0.000 1.109 424 N CA 0.553 53.544 53.050 -0.099 0.000 0.903 424 N CB -0.098 38.407 38.487 0.032 0.000 0.969 424 N HN 0.350 nan 8.380 nan 0.000 0.450 425 S N 1.198 116.794 115.700 -0.175 0.000 2.370 425 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 425 S C 1.615 176.000 174.600 -0.358 0.000 1.033 425 S CA 1.037 59.050 58.200 -0.313 0.000 1.011 425 S CB -0.169 63.008 63.200 -0.038 0.000 0.852 425 S HN 0.407 nan 8.310 nan 0.000 0.457 426 E N 0.540 120.668 120.200 -0.120 0.000 2.130 426 E HA -0.168 4.181 4.350 -0.000 0.000 0.196 426 E C 1.870 178.396 176.600 -0.124 0.000 0.998 426 E CA 1.040 57.424 56.400 -0.028 0.000 0.806 426 E CB -0.295 29.457 29.700 0.087 0.000 0.738 426 E HN 0.332 nan 8.360 nan 0.000 0.459 427 L N 0.417 121.526 121.223 -0.191 0.000 2.217 427 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 427 L C 2.230 178.933 176.870 -0.278 0.000 1.107 427 L CA 0.742 55.474 54.840 -0.180 0.000 0.783 427 L CB -0.418 41.553 42.059 -0.147 0.000 0.919 427 L HN 0.204 nan 8.230 nan 0.000 0.442 428 L N -1.833 119.011 121.223 -0.631 0.000 2.179 428 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 428 L C 1.873 178.436 176.870 -0.511 0.000 1.096 428 L CA 1.758 56.095 54.840 -0.838 0.000 0.779 428 L CB -0.562 40.595 42.059 -1.503 0.000 0.922 428 L HN 0.056 nan 8.230 nan 0.000 0.443 429 L N 0.264 121.205 121.223 -0.470 0.000 2.341 429 L HA 0.329 4.669 4.340 -0.000 0.000 0.214 429 L C 1.869 178.662 176.870 -0.127 0.000 1.115 429 L CA 0.994 55.632 54.840 -0.337 0.000 0.820 429 L CB -1.611 40.104 42.059 -0.573 0.000 0.944 429 L HN 0.552 nan 8.230 nan 0.000 0.452 430 G N 1.626 110.376 108.800 -0.084 0.000 2.651 430 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.315 430 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.315 430 G C 0.708 175.635 174.900 0.046 0.000 1.258 430 G CA 0.753 45.849 45.100 -0.008 0.000 1.002 430 G HN 0.519 nan 8.290 nan 0.000 0.551 431 N N 1.723 120.440 118.700 0.028 0.000 2.314 431 N HA 0.531 5.270 4.740 -0.000 0.000 0.200 431 N C 0.820 176.343 175.510 0.022 0.000 1.135 431 N CA 1.204 54.277 53.050 0.038 0.000 0.835 431 N CB -0.273 38.223 38.487 0.015 0.000 0.989 431 N HN 1.300 nan 8.380 nan 0.000 0.478 432 A N -0.396 122.429 122.820 0.009 0.000 2.565 432 A HA 0.471 4.791 4.320 -0.000 0.000 0.237 432 A C 1.243 178.784 177.584 -0.071 0.000 1.053 432 A CA 0.416 52.404 52.037 -0.082 0.000 0.755 432 A CB -0.134 18.811 19.000 -0.092 0.000 0.980 432 A HN 0.469 nan 8.150 nan 0.000 0.506 433 G N 0.570 109.181 108.800 -0.316 0.000 2.989 433 G HA2 0.402 4.361 3.960 -0.000 0.000 0.221 433 G HA3 0.402 4.361 3.960 -0.000 0.000 0.221 433 G C 0.423 174.919 174.900 -0.673 0.000 1.050 433 G CA 0.893 45.820 45.100 -0.288 0.000 0.913 433 G HN 1.185 nan 8.290 nan 0.000 0.587 434 T N -3.111 110.884 114.554 -0.931 0.000 2.831 434 T HA 0.485 4.835 4.350 -0.000 0.000 0.287 434 T C 0.943 175.019 174.700 -1.039 0.000 1.070 434 T CA -0.291 61.278 62.100 -0.886 0.000 1.010 434 T CB 1.782 70.414 68.868 -0.393 0.000 1.264 434 T HN -0.163 nan 8.240 nan 0.000 0.532 435 V N 1.000 120.598 119.914 -0.527 0.000 2.427 435 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 435 V C 2.936 178.806 176.094 -0.373 0.000 1.051 435 V CA 2.410 64.497 62.300 -0.356 0.000 1.048 435 V CB -0.551 31.180 31.823 -0.153 0.000 0.666 435 V HN 1.069 nan 8.190 nan 0.000 0.456 436 S N -0.251 115.282 115.700 -0.277 0.000 2.419 436 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 436 S C 1.637 176.107 174.600 -0.216 0.000 1.016 436 S CA 1.639 59.719 58.200 -0.201 0.000 0.974 436 S CB -0.440 62.671 63.200 -0.148 0.000 0.786 436 S HN 0.645 nan 8.310 nan 0.000 0.492 437 D N 1.247 121.478 120.400 -0.281 0.000 2.310 437 D HA 0.006 4.646 4.640 -0.000 0.000 0.212 437 D C 1.640 177.797 176.300 -0.237 0.000 0.965 437 D CA 0.525 54.377 54.000 -0.247 0.000 0.879 437 D CB -0.242 40.381 40.800 -0.294 0.000 0.921 437 D HN 0.435 nan 8.370 nan 0.000 0.510 438 L N -0.244 120.786 121.223 -0.321 0.000 2.465 438 L HA 0.088 4.428 4.340 -0.000 0.000 0.224 438 L C 1.383 178.137 176.870 -0.192 0.000 1.145 438 L CA 0.424 55.071 54.840 -0.323 0.000 0.834 438 L CB -0.717 40.930 42.059 -0.687 0.000 0.944 438 L HN 0.092 nan 8.230 nan 0.000 0.451 439 G N 0.477 109.186 108.800 -0.151 0.000 2.698 439 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.225 439 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.225 439 G C -0.307 174.527 174.900 -0.110 0.000 1.345 439 G CA -0.490 44.548 45.100 -0.104 0.000 0.871 439 G HN 0.235 nan 8.290 nan 0.000 0.540 440 E N 0.020 120.079 120.200 -0.235 0.000 2.608 440 E HA 0.124 4.473 4.350 -0.000 0.000 0.259 440 E C -0.362 175.891 176.600 -0.578 0.000 0.951 440 E CA 0.353 56.491 56.400 -0.437 0.000 0.945 440 E CB 0.322 29.603 29.700 -0.698 0.000 0.916 440 E HN 0.448 nan 8.360 nan 0.000 0.477 441 D N 3.989 124.147 120.400 -0.403 0.000 2.295 441 D HA 0.054 4.694 4.640 -0.000 0.000 0.248 441 D C -0.252 175.764 176.300 -0.473 0.000 1.154 441 D CA -0.228 53.503 54.000 -0.448 0.000 0.857 441 D CB 0.350 40.981 40.800 -0.282 0.000 1.117 441 D HN 0.361 nan 8.370 nan 0.000 0.468 442 F N 1.842 121.685 119.950 -0.179 0.000 2.727 442 F HA 0.353 4.880 4.527 -0.000 0.000 0.302 442 F C 1.463 177.248 175.800 -0.024 0.000 1.097 442 F CA 0.475 58.447 58.000 -0.046 0.000 1.330 442 F CB 0.325 39.361 39.000 0.061 0.000 1.084 442 F HN 0.533 nan 8.300 nan 0.000 0.578 443 G N -1.015 107.807 108.800 0.038 0.000 2.453 443 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.665 443 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.665 443 G C -0.124 174.785 174.900 0.016 0.000 1.411 443 G CA -0.627 44.485 45.100 0.021 0.000 0.889 443 G HN 0.382 nan 8.290 nan 0.000 0.651 444 H N 0.957 119.929 119.070 -0.163 0.000 2.655 444 H HA -0.213 4.343 4.556 -0.000 0.000 0.313 444 H C 0.938 176.075 175.328 -0.317 0.000 1.141 444 H CA 1.903 57.794 56.048 -0.262 0.000 1.138 444 H CB -0.719 28.866 29.762 -0.296 0.000 1.446 444 H HN 1.093 nan 8.280 nan 0.000 0.415 445 E N -1.940 117.998 120.200 -0.437 0.000 2.586 445 E HA -0.266 4.084 4.350 -0.000 0.000 0.259 445 E C -0.573 175.790 176.600 -0.394 0.000 1.107 445 E CA 0.744 56.801 56.400 -0.571 0.000 0.754 445 E CB -1.374 28.107 29.700 -0.365 0.000 1.335 445 E HN 0.357 nan 8.360 nan 0.000 0.411 446 F N 1.482 121.159 119.950 -0.456 0.000 2.303 446 F HA 0.366 4.892 4.527 -0.000 0.000 0.368 446 F C -0.390 175.328 175.800 -0.136 0.000 1.105 446 F CA -0.625 57.277 58.000 -0.164 0.000 1.153 446 F CB 0.275 39.236 39.000 -0.064 0.000 1.362 446 F HN -0.128 nan 8.300 nan 0.000 0.511 447 Y N 3.164 123.320 120.300 -0.240 0.000 2.453 447 Y HA 0.183 4.733 4.550 -0.000 0.000 0.326 447 Y C 1.657 177.321 175.900 -0.393 0.000 1.186 447 Y CA -0.520 57.411 58.100 -0.282 0.000 1.200 447 Y CB 1.011 39.364 38.460 -0.178 0.000 1.247 447 Y HN 0.599 nan 8.280 nan 0.000 0.482 448 E N 1.244 121.310 120.200 -0.224 0.000 2.219 448 E HA -0.285 4.064 4.350 -0.000 0.000 0.198 448 E C 1.816 178.250 176.600 -0.276 0.000 0.998 448 E CA 1.404 57.621 56.400 -0.306 0.000 0.818 448 E CB 0.000 29.523 29.700 -0.296 0.000 0.741 448 E HN 0.848 nan 8.360 nan 0.000 0.477 449 A N 0.805 123.524 122.820 -0.167 0.000 1.930 449 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 449 A C 2.029 179.507 177.584 -0.176 0.000 1.175 449 A CA 1.541 53.492 52.037 -0.144 0.000 0.627 449 A CB -0.414 18.507 19.000 -0.132 0.000 0.815 449 A HN 0.431 nan 8.150 nan 0.000 0.443 450 E N -0.757 119.316 120.200 -0.211 0.000 2.046 450 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 450 E C 1.889 178.371 176.600 -0.196 0.000 0.982 450 E CA 1.025 57.295 56.400 -0.216 0.000 0.800 450 E CB -0.165 29.463 29.700 -0.121 0.000 0.756 450 E HN 0.386 nan 8.360 nan 0.000 0.449 451 L N 1.746 122.694 121.223 -0.457 0.000 2.046 451 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 451 L C 2.228 178.972 176.870 -0.210 0.000 1.077 451 L CA 1.826 56.437 54.840 -0.382 0.000 0.747 451 L CB -0.461 41.159 42.059 -0.732 0.000 0.896 451 L HN 0.010 nan 8.230 nan 0.000 0.432 452 K N -1.718 118.530 120.400 -0.253 0.000 2.026 452 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 452 K C 2.302 178.916 176.600 0.023 0.000 1.048 452 K CA 1.860 58.095 56.287 -0.087 0.000 0.929 452 K CB -0.467 31.976 32.500 -0.094 0.000 0.713 452 K HN 0.389 nan 8.250 nan 0.000 0.439 453 Y N 1.742 121.990 120.300 -0.087 0.000 2.165 453 Y HA -0.242 4.307 4.550 -0.000 0.000 0.286 453 Y C 1.760 177.671 175.900 0.019 0.000 1.155 453 Y CA 1.565 59.651 58.100 -0.024 0.000 1.164 453 Y CB -0.212 38.146 38.460 -0.169 0.000 0.978 453 Y HN 0.024 nan 8.280 nan 0.000 0.513 454 L N -1.278 119.987 121.223 0.069 0.000 2.046 454 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 454 L C 2.358 179.219 176.870 -0.016 0.000 1.077 454 L CA 1.209 56.090 54.840 0.068 0.000 0.747 454 L CB -0.841 41.361 42.059 0.239 0.000 0.896 454 L HN 0.132 nan 8.230 nan 0.000 0.432 455 V N -0.321 119.618 119.914 0.041 0.000 2.307 455 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 455 V C 2.093 178.119 176.094 -0.114 0.000 1.045 455 V CA 1.849 64.193 62.300 0.073 0.000 1.024 455 V CB -0.458 31.545 31.823 0.300 0.000 0.651 455 V HN 0.405 nan 8.190 nan 0.000 0.449 456 D N -0.812 119.463 120.400 -0.208 0.000 2.144 456 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 456 D C 1.736 177.486 176.300 -0.918 0.000 0.978 456 D CA 1.590 55.276 54.000 -0.523 0.000 0.833 456 D CB -0.121 40.308 40.800 -0.617 0.000 0.961 456 D HN 0.645 nan 8.370 nan 0.000 0.470 457 H N -1.347 117.394 119.070 -0.547 0.000 3.233 457 H HA 0.318 4.874 4.556 -0.000 0.000 0.263 457 H C 0.442 175.362 175.328 -0.679 0.000 1.168 457 H CA -0.072 55.563 56.048 -0.688 0.000 1.159 457 H CB 1.150 30.396 29.762 -0.860 0.000 1.593 457 H HN -0.023 nan 8.280 nan 0.000 0.580 458 E N -0.447 119.513 120.200 -0.398 0.000 2.810 458 E HA 0.010 4.359 4.350 -0.000 0.000 0.214 458 E C -0.100 176.677 176.600 0.295 0.000 0.980 458 E CA -0.193 56.213 56.400 0.010 0.000 1.159 458 E CB 0.631 30.415 29.700 0.140 0.000 1.047 458 E HN 0.400 nan 8.360 nan 0.000 0.484 459 W N 0.043 121.342 121.300 -0.002 0.000 2.869 459 W HA -0.231 4.429 4.660 -0.000 0.000 0.285 459 W C 0.086 176.629 176.519 0.040 0.000 1.098 459 W CA 0.311 57.662 57.345 0.010 0.000 0.571 459 W CB -1.933 27.529 29.460 0.002 0.000 2.131 459 W HN -0.071 nan 8.180 nan 0.000 1.367 460 V N 2.223 122.266 119.914 0.215 0.000 2.599 460 V HA 0.003 4.123 4.120 -0.000 0.000 0.300 460 V C 1.511 177.710 176.094 0.176 0.000 1.034 460 V CA 1.096 63.514 62.300 0.196 0.000 1.115 460 V CB 1.183 33.121 31.823 0.192 0.000 0.934 460 V HN 0.026 nan 8.190 nan 0.000 0.485 461 R N 2.955 123.553 120.500 0.163 0.000 2.561 461 R HA 0.292 4.632 4.340 -0.000 0.000 0.213 461 R C 0.326 176.707 176.300 0.135 0.000 0.885 461 R CA -0.163 56.022 56.100 0.142 0.000 1.002 461 R CB 0.610 30.982 30.300 0.121 0.000 1.432 461 R HN 0.465 nan 8.270 nan 0.000 0.651 462 R N -0.134 120.445 120.500 0.131 0.000 2.832 462 R HA 0.528 4.868 4.340 -0.000 0.000 0.271 462 R C 0.667 177.044 176.300 0.127 0.000 0.996 462 R CA -0.165 56.008 56.100 0.122 0.000 0.977 462 R CB 1.151 31.515 30.300 0.107 0.000 1.168 462 R HN -0.007 nan 8.270 nan 0.000 0.482 463 A N 0.983 123.870 122.820 0.112 0.000 1.902 463 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 463 A C 1.175 178.816 177.584 0.094 0.000 1.181 463 A CA 1.831 53.918 52.037 0.083 0.000 0.623 463 A CB -0.292 18.742 19.000 0.057 0.000 0.818 463 A HN 0.655 nan 8.150 nan 0.000 0.443 464 D N 0.398 120.895 120.400 0.162 0.000 2.117 464 D HA -0.130 4.509 4.640 -0.000 0.000 0.197 464 D C 1.369 177.807 176.300 0.230 0.000 0.987 464 D CA 1.423 55.591 54.000 0.280 0.000 0.829 464 D CB -0.515 40.450 40.800 0.274 0.000 0.961 464 D HN 0.414 nan 8.370 nan 0.000 0.460 465 D N 0.585 121.087 120.400 0.171 0.000 2.154 465 D HA -0.204 4.435 4.640 -0.000 0.000 0.190 465 D C 1.936 178.327 176.300 0.152 0.000 1.003 465 D CA 1.909 56.004 54.000 0.159 0.000 0.849 465 D CB -0.417 40.476 40.800 0.155 0.000 0.942 465 D HN 0.247 nan 8.370 nan 0.000 0.446 466 A N -0.050 122.846 122.820 0.127 0.000 1.874 466 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 466 A C 2.335 179.895 177.584 -0.041 0.000 1.189 466 A CA 0.628 52.739 52.037 0.124 0.000 0.615 466 A CB -0.514 18.591 19.000 0.175 0.000 0.830 466 A HN 0.201 nan 8.150 nan 0.000 0.443 467 L N -3.348 117.764 121.223 -0.185 0.000 2.341 467 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 467 L C 1.987 178.469 176.870 -0.647 0.000 1.115 467 L CA 0.583 55.106 54.840 -0.529 0.000 0.820 467 L CB -0.196 41.478 42.059 -0.641 0.000 0.944 467 L HN 0.626 nan 8.230 nan 0.000 0.452 468 W N -1.340 119.920 121.300 -0.068 0.000 2.773 468 W HA 0.194 4.854 4.660 -0.000 0.000 0.297 468 W C 2.475 178.999 176.519 0.010 0.000 1.050 468 W CA -0.491 56.819 57.345 -0.059 0.000 1.467 468 W CB 0.548 29.987 29.460 -0.035 0.000 0.977 468 W HN -0.203 nan 8.180 nan 0.000 0.573 469 R N -0.210 120.429 120.500 0.232 0.000 2.107 469 R HA 0.127 4.467 4.340 -0.000 0.000 0.195 469 R C 2.246 178.630 176.300 0.140 0.000 1.214 469 R CA 0.002 56.205 56.100 0.172 0.000 1.129 469 R CB -0.135 30.252 30.300 0.146 0.000 1.045 469 R HN -0.207 nan 8.270 nan 0.000 0.489 470 R N 0.761 121.351 120.500 0.150 0.000 2.096 470 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 470 R C 1.180 177.562 176.300 0.137 0.000 1.127 470 R CA 1.488 57.687 56.100 0.165 0.000 0.968 470 R CB -0.598 29.846 30.300 0.240 0.000 0.861 470 R HN 0.402 nan 8.270 nan 0.000 0.440 471 T N -3.003 111.619 114.554 0.113 0.000 2.838 471 T HA 0.452 4.802 4.350 -0.000 0.000 0.292 471 T C 0.122 174.822 174.700 -0.000 0.000 1.113 471 T CA -0.925 61.237 62.100 0.104 0.000 1.008 471 T CB 2.452 71.401 68.868 0.135 0.000 1.259 471 T HN -0.226 nan 8.240 nan 0.000 0.520 472 K N 0.497 120.887 120.400 -0.017 0.000 2.618 472 K HA 0.181 4.500 4.320 -0.000 0.000 0.207 472 K C 1.427 177.820 176.600 -0.344 0.000 1.058 472 K CA -0.286 55.874 56.287 -0.212 0.000 1.086 472 K CB 0.597 33.047 32.500 -0.082 0.000 0.827 472 K HN 0.485 nan 8.250 nan 0.000 0.481 473 Q N 0.333 119.950 119.800 -0.304 0.000 2.248 473 Q HA -0.115 4.225 4.340 -0.000 0.000 0.208 473 Q C 1.121 176.775 176.000 -0.576 0.000 0.984 473 Q CA 0.921 56.541 55.803 -0.305 0.000 0.875 473 Q CB -0.357 28.028 28.738 -0.588 0.000 0.910 473 Q HN 0.399 nan 8.270 nan 0.000 0.433 477 L N 3.190 124.366 121.223 -0.078 0.000 2.331 477 L HA 0.159 4.499 4.340 -0.000 0.000 0.278 477 L C 0.749 177.599 176.870 -0.033 0.000 1.106 477 L CA 0.347 55.156 54.840 -0.053 0.000 0.824 477 L CB 0.217 42.209 42.059 -0.112 0.000 1.142 477 L HN 0.003 nan 8.230 nan 0.000 0.443 478 N N 2.596 121.299 118.700 0.005 0.000 2.322 478 N HA 0.249 4.989 4.740 -0.000 0.000 0.270 478 N C 0.809 176.333 175.510 0.024 0.000 1.286 478 N CA 0.229 53.289 53.050 0.016 0.000 0.948 478 N CB 0.222 38.726 38.487 0.028 0.000 1.164 478 N HN 0.542 nan 8.380 nan 0.000 0.551 479 A N -0.740 122.102 122.820 0.037 0.000 1.930 479 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 479 A C 1.407 179.020 177.584 0.048 0.000 1.175 479 A CA 1.584 53.649 52.037 0.046 0.000 0.627 479 A CB -0.759 18.270 19.000 0.048 0.000 0.815 479 A HN 0.740 nan 8.150 nan 0.000 0.443 480 D N -0.463 119.966 120.400 0.048 0.000 2.224 480 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 480 D C 2.062 178.403 176.300 0.067 0.000 0.965 480 D CA 1.053 55.087 54.000 0.057 0.000 0.852 480 D CB -0.332 40.501 40.800 0.055 0.000 0.947 480 D HN 0.623 nan 8.370 nan 0.000 0.494 481 Q N 0.192 120.028 119.800 0.061 0.000 2.172 481 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 481 Q C 2.073 178.104 176.000 0.052 0.000 0.964 481 Q CA 0.788 56.638 55.803 0.077 0.000 0.855 481 Q CB 0.037 28.817 28.738 0.070 0.000 0.918 481 Q HN 0.393 nan 8.270 nan 0.000 0.444 482 Q N -0.296 119.518 119.800 0.023 0.000 2.172 482 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 482 Q C 2.182 178.201 176.000 0.031 0.000 0.964 482 Q CA 1.214 57.019 55.803 0.003 0.000 0.855 482 Q CB -0.080 28.664 28.738 0.010 0.000 0.918 482 Q HN 0.203 nan 8.270 nan 0.000 0.444 483 S N 0.961 116.693 115.700 0.054 0.000 2.356 483 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 483 S C 1.990 176.640 174.600 0.084 0.000 1.032 483 S CA 1.344 59.585 58.200 0.068 0.000 1.005 483 S CB -0.027 63.213 63.200 0.068 0.000 0.867 483 S HN 0.207 nan 8.310 nan 0.000 0.449 484 R N 0.740 121.301 120.500 0.102 0.000 2.096 484 R HA 0.030 4.369 4.340 -0.000 0.000 0.235 484 R C 2.037 178.397 176.300 0.100 0.000 1.127 484 R CA 1.764 57.958 56.100 0.157 0.000 0.968 484 R CB -1.062 29.380 30.300 0.236 0.000 0.861 484 R HN 0.362 nan 8.270 nan 0.000 0.440 485 V N 0.025 119.906 119.914 -0.056 0.000 2.343 485 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 485 V C 2.124 178.210 176.094 -0.012 0.000 1.051 485 V CA 2.249 64.392 62.300 -0.261 0.000 1.036 485 V CB -0.478 31.194 31.823 -0.250 0.000 0.654 485 V HN 0.395 nan 8.190 nan 0.000 0.451 486 S N -1.025 114.705 115.700 0.050 0.000 2.383 486 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 486 S C 1.951 176.629 174.600 0.131 0.000 1.026 486 S CA 1.545 59.804 58.200 0.098 0.000 0.981 486 S CB -0.300 62.950 63.200 0.084 0.000 0.818 486 S HN 0.677 nan 8.310 nan 0.000 0.472 487 Q N -0.256 119.627 119.800 0.138 0.000 2.030 487 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 487 Q C 1.977 178.097 176.000 0.199 0.000 0.986 487 Q CA 1.771 57.663 55.803 0.149 0.000 0.843 487 Q CB -0.296 28.532 28.738 0.150 0.000 0.904 487 Q HN 0.709 nan 8.270 nan 0.000 0.420 488 W N 0.937 122.275 121.300 0.064 0.000 2.338 488 W HA -0.197 4.463 4.660 -0.000 0.000 0.304 488 W C 1.834 178.407 176.519 0.089 0.000 1.212 488 W CA 1.434 58.834 57.345 0.091 0.000 1.264 488 W CB -0.187 29.326 29.460 0.089 0.000 1.142 488 W HN 0.173 nan 8.180 nan 0.000 0.512 489 L N -0.611 120.863 121.223 0.418 0.000 2.141 489 L HA -0.228 4.111 4.340 -0.000 0.000 0.209 489 L C 2.212 179.158 176.870 0.127 0.000 1.094 489 L CA 0.868 55.907 54.840 0.331 0.000 0.763 489 L CB -0.976 41.256 42.059 0.289 0.000 0.908 489 L HN -0.122 nan 8.230 nan 0.000 0.437 490 V N -0.075 119.891 119.914 0.086 0.000 2.295 490 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 490 V C 2.316 178.388 176.094 -0.036 0.000 1.049 490 V CA 1.886 64.204 62.300 0.029 0.000 1.024 490 V CB -0.386 31.461 31.823 0.039 0.000 0.648 490 V HN 0.460 nan 8.190 nan 0.000 0.447 491 E N -1.054 119.099 120.200 -0.079 0.000 2.051 491 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 491 E C 2.127 178.599 176.600 -0.213 0.000 0.991 491 E CA 1.829 58.141 56.400 -0.146 0.000 0.799 491 E CB -0.284 29.310 29.700 -0.177 0.000 0.748 491 E HN 0.699 nan 8.360 nan 0.000 0.449 492 Y N 1.487 121.461 120.300 -0.543 0.000 2.133 492 Y HA -0.228 4.322 4.550 -0.000 0.000 0.287 492 Y C 2.705 178.449 175.900 -0.260 0.000 1.134 492 Y CA 2.004 59.777 58.100 -0.546 0.000 1.133 492 Y CB -0.621 37.262 38.460 -0.963 0.000 0.987 492 Y HN 0.108 nan 8.280 nan 0.000 0.502 493 T N -2.226 112.238 114.554 -0.150 0.000 2.857 493 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 493 T C 1.521 176.132 174.700 -0.149 0.000 1.048 493 T CA 1.351 63.353 62.100 -0.162 0.000 1.139 493 T CB -0.375 68.486 68.868 -0.013 0.000 0.874 493 T HN 0.292 nan 8.240 nan 0.000 0.455 494 Q N 0.317 120.053 119.800 -0.105 0.000 2.225 494 Q HA 0.410 4.750 4.340 -0.000 0.000 0.222 494 Q C 1.212 177.158 176.000 -0.090 0.000 0.887 494 Q CA -0.029 55.731 55.803 -0.072 0.000 0.958 494 Q CB 0.269 28.984 28.738 -0.039 0.000 1.058 494 Q HN 0.703 nan 8.270 nan 0.000 0.459 495 Q N -2.109 117.609 119.800 -0.137 0.000 1.561 495 Q HA 0.127 4.466 4.340 -0.000 0.000 0.144 495 Q C -0.283 175.619 176.000 -0.163 0.000 0.523 495 Q CA -0.280 55.449 55.803 -0.125 0.000 0.856 495 Q CB 0.196 28.873 28.738 -0.102 0.000 0.915 495 Q HN 0.031 nan 8.270 nan 0.000 0.194 496 R N 1.240 121.615 120.500 -0.208 0.000 4.219 496 R HA 0.292 4.632 4.340 -0.000 0.000 0.203 496 R C -0.539 175.514 176.300 -0.411 0.000 2.173 496 R CA 0.646 56.596 56.100 -0.250 0.000 1.776 496 R CB -0.779 29.395 30.300 -0.211 0.000 1.150 496 R HN 0.152 nan 8.270 nan 0.000 0.637 497 L N 0.000 121.029 121.223 -0.323 0.000 2.949 497 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 497 L CA 0.000 54.645 54.840 -0.326 0.000 0.813 497 L CB 0.000 41.731 42.059 -0.546 0.000 0.961 497 L HN 0.000 nan 8.230 nan 0.000 0.502