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 2gr0_1_A DATA FIRST_RESID 6 DATA SEQUENCE LKAPVVVLGA GLASVSFVAE LRQAGYQGLI TVVGDEAERP YDRPPLSKDF DATA SEQUENCE MAHGDAEKIR LDCKRAPEVE WLLGVTAQSF DPQAHTVALS DGRTLPYGTL DATA SEQUENCE VLATGAAPRA LPTLQGATMP VHTLRTLEDA RRIQAGLRPQ SRLLIVGGGV DATA SEQUENCE IGLELAATAR TAGVHVSLVE TQPRLMSRAA PATLADFVAR YHAAQGVDLR DATA SEQUENCE FERSVTGSVD GVVLLDDGTR IAADMVVVGI GVLANDALAR AAGLACDDGI DATA SEQUENCE FVDAYGRTTC PDVYALGDVT RQRNPLSGRF ERIETWSNAQ NQGIAVARHL DATA SEQUENCE VDPTAPGYAE LPWYWSDQGA LRIQVAGLAS GDEEIVRGEV SLDAPKFTLI DATA SEQUENCE ELQKGRIVGA TCVNNARDFA PLRRLLAVGA KPDRAALADP ATDLRKLAAA DATA SEQUENCE V 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.850 176.870 -0.033 0.000 1.165 6 L CA 0.000 54.783 54.840 -0.095 0.000 0.813 6 L CB 0.000 41.944 42.059 -0.191 0.000 0.961 7 K N 3.353 123.755 120.400 0.003 0.000 2.244 7 K HA 0.924 5.244 4.320 -0.001 0.000 0.260 7 K C -0.254 176.384 176.600 0.063 0.000 0.951 7 K CA -0.466 55.846 56.287 0.042 0.000 0.826 7 K CB 2.121 34.654 32.500 0.055 0.000 1.108 7 K HN 0.631 nan 8.250 nan 0.000 0.433 8 A N 3.646 126.532 122.820 0.111 0.000 2.304 8 A HA 0.481 4.801 4.320 -0.001 0.000 0.271 8 A C -2.143 175.504 177.584 0.106 0.000 1.091 8 A CA -1.223 50.912 52.037 0.164 0.000 0.812 8 A CB -0.225 18.899 19.000 0.207 0.000 1.056 8 A HN 0.498 nan 8.150 nan 0.000 0.489 9 P HA 0.380 nan 4.420 nan 0.000 0.279 9 P C -0.859 176.526 177.300 0.141 0.000 1.252 9 P CA -0.307 62.880 63.100 0.143 0.000 0.811 9 P CB 0.988 32.749 31.700 0.102 0.000 1.035 10 V N 2.179 122.165 119.914 0.120 0.000 2.439 10 V HA 0.246 4.366 4.120 -0.001 0.000 0.282 10 V C 0.340 176.451 176.094 0.028 0.000 1.039 10 V CA -0.437 61.888 62.300 0.041 0.000 0.913 10 V CB 1.577 33.377 31.823 -0.038 0.000 0.983 10 V HN 0.266 nan 8.190 nan 0.000 0.460 11 V N 5.716 125.618 119.914 -0.019 0.000 2.487 11 V HA 0.507 4.627 4.120 -0.001 0.000 0.298 11 V C -0.352 175.651 176.094 -0.151 0.000 1.028 11 V CA -0.556 61.703 62.300 -0.069 0.000 0.860 11 V CB 2.149 33.946 31.823 -0.045 0.000 0.991 11 V HN 0.605 nan 8.190 nan 0.000 0.427 12 V N 6.074 125.907 119.914 -0.135 0.000 2.459 12 V HA 0.498 4.618 4.120 -0.001 0.000 0.295 12 V C -0.269 175.740 176.094 -0.141 0.000 1.029 12 V CA -0.606 61.591 62.300 -0.171 0.000 0.874 12 V CB 1.819 33.572 31.823 -0.117 0.000 0.985 12 V HN 0.627 nan 8.190 nan 0.000 0.438 13 L N 4.708 125.831 121.223 -0.166 0.000 2.265 13 L HA 0.849 5.189 4.340 -0.001 0.000 0.289 13 L C 0.636 177.454 176.870 -0.085 0.000 1.033 13 L CA -0.147 54.627 54.840 -0.110 0.000 0.814 13 L CB 1.048 43.034 42.059 -0.121 0.000 1.203 13 L HN 0.968 nan 8.230 nan 0.000 0.423 14 G N 2.633 111.411 108.800 -0.036 0.000 2.770 14 G HA2 0.165 4.125 3.960 -0.001 0.000 0.686 14 G HA3 0.165 4.125 3.960 -0.001 0.000 0.686 14 G C -0.488 174.428 174.900 0.026 0.000 1.180 14 G CA -0.302 44.785 45.100 -0.022 0.000 0.767 14 G HN 0.865 nan 8.290 nan 0.000 0.646 15 A N 1.068 123.918 122.820 0.049 0.000 2.705 15 A HA 0.812 5.132 4.320 -0.001 0.000 0.294 15 A C 1.164 178.754 177.584 0.009 0.000 1.039 15 A CA 1.112 53.231 52.037 0.137 0.000 1.005 15 A CB -0.092 19.044 19.000 0.227 0.000 1.192 15 A HN 2.162 nan 8.150 nan 0.000 0.513 16 G N -1.051 107.717 108.800 -0.055 0.000 2.531 16 G HA2 0.409 4.369 3.960 -0.001 0.000 0.281 16 G HA3 0.409 4.369 3.960 -0.001 0.000 0.281 16 G C 0.886 175.730 174.900 -0.093 0.000 1.382 16 G CA -0.055 44.963 45.100 -0.137 0.000 1.045 16 G HN 0.458 nan 8.290 nan 0.000 0.533 17 L N 0.232 121.377 121.223 -0.130 0.000 2.042 17 L HA -0.012 4.328 4.340 -0.001 0.000 0.210 17 L C 2.967 179.761 176.870 -0.127 0.000 1.076 17 L CA 2.797 57.555 54.840 -0.137 0.000 0.749 17 L CB -0.745 41.183 42.059 -0.219 0.000 0.893 17 L HN 0.519 nan 8.230 nan 0.000 0.432 18 A N -1.535 121.207 122.820 -0.130 0.000 1.877 18 A HA -0.228 4.091 4.320 -0.001 0.000 0.216 18 A C 2.523 180.088 177.584 -0.031 0.000 1.186 18 A CA 1.963 53.930 52.037 -0.116 0.000 0.620 18 A CB -1.226 17.686 19.000 -0.146 0.000 0.822 18 A HN 0.551 nan 8.150 nan 0.000 0.443 19 S N -0.570 115.122 115.700 -0.013 0.000 2.359 19 S HA -0.144 4.325 4.470 -0.001 0.000 0.224 19 S C 1.928 176.646 174.600 0.196 0.000 1.035 19 S CA 1.823 60.066 58.200 0.072 0.000 1.018 19 S CB -0.580 62.663 63.200 0.072 0.000 0.876 19 S HN 0.302 nan 8.310 nan 0.000 0.448 20 V N 1.582 121.611 119.914 0.192 0.000 2.343 20 V HA -0.121 3.999 4.120 -0.001 0.000 0.247 20 V C 2.708 178.895 176.094 0.155 0.000 1.051 20 V CA 2.166 64.620 62.300 0.257 0.000 1.036 20 V CB -1.067 30.837 31.823 0.136 0.000 0.654 20 V HN 0.510 nan 8.190 nan 0.000 0.451 21 S N -0.240 115.501 115.700 0.070 0.000 2.368 21 S HA -0.186 4.284 4.470 -0.001 0.000 0.225 21 S C 1.757 176.394 174.600 0.062 0.000 1.030 21 S CA 1.868 60.084 58.200 0.026 0.000 0.999 21 S CB -0.457 62.708 63.200 -0.058 0.000 0.844 21 S HN 0.619 nan 8.310 nan 0.000 0.459 22 F N 3.089 123.003 119.950 -0.060 0.000 2.084 22 F HA -0.149 4.377 4.527 -0.001 0.000 0.296 22 F C 2.307 178.072 175.800 -0.058 0.000 1.111 22 F CA 1.536 59.490 58.000 -0.078 0.000 1.224 22 F CB -0.632 38.305 39.000 -0.105 0.000 0.991 22 F HN 0.083 nan 8.300 nan 0.000 0.471 23 V N -0.344 119.577 119.914 0.012 0.000 2.427 23 V HA -0.108 4.012 4.120 -0.001 0.000 0.248 23 V C 2.425 178.460 176.094 -0.098 0.000 1.051 23 V CA 1.543 63.769 62.300 -0.122 0.000 1.048 23 V CB -2.058 29.747 31.823 -0.031 0.000 0.666 23 V HN 0.404 nan 8.190 nan 0.000 0.456 24 A N 0.641 123.458 122.820 -0.005 0.000 1.902 24 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 24 A C 2.208 179.759 177.584 -0.056 0.000 1.181 24 A CA 2.141 54.182 52.037 0.005 0.000 0.623 24 A CB -0.679 18.348 19.000 0.045 0.000 0.818 24 A HN 0.663 nan 8.150 nan 0.000 0.443 25 E N 0.193 120.327 120.200 -0.110 0.000 2.106 25 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 25 E C 1.823 178.311 176.600 -0.187 0.000 0.984 25 E CA 0.964 57.286 56.400 -0.130 0.000 0.806 25 E CB -0.420 29.204 29.700 -0.127 0.000 0.750 25 E HN 0.589 nan 8.360 nan 0.000 0.458 26 L N 0.128 121.156 121.223 -0.325 0.000 2.012 26 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 26 L C 2.661 179.491 176.870 -0.066 0.000 1.073 26 L CA 1.430 56.101 54.840 -0.280 0.000 0.748 26 L CB -0.461 41.354 42.059 -0.406 0.000 0.891 26 L HN 0.142 nan 8.230 nan 0.000 0.431 27 R N -0.144 120.327 120.500 -0.049 0.000 2.073 27 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 27 R C 2.190 178.478 176.300 -0.020 0.000 1.134 27 R CA 1.098 57.189 56.100 -0.014 0.000 0.952 27 R CB -0.681 29.612 30.300 -0.010 0.000 0.850 27 R HN 0.472 nan 8.270 nan 0.000 0.433 28 Q N 0.060 119.843 119.800 -0.028 0.000 2.167 28 Q HA 0.017 4.357 4.340 -0.001 0.000 0.202 28 Q C 1.857 177.845 176.000 -0.020 0.000 0.970 28 Q CA 1.428 57.220 55.803 -0.019 0.000 0.855 28 Q CB -0.233 28.497 28.738 -0.014 0.000 0.911 28 Q HN 0.300 nan 8.270 nan 0.000 0.438 29 A N -0.346 122.455 122.820 -0.032 0.000 2.167 29 A HA 0.304 4.624 4.320 -0.001 0.000 0.214 29 A C 1.490 179.066 177.584 -0.013 0.000 1.151 29 A CA 1.207 53.227 52.037 -0.028 0.000 0.735 29 A CB -0.054 18.915 19.000 -0.051 0.000 0.802 29 A HN 0.439 nan 8.150 nan 0.000 0.467 30 G N -2.691 106.106 108.800 -0.004 0.000 2.175 30 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.182 30 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.182 30 G C 0.008 174.915 174.900 0.012 0.000 1.003 30 G CA 0.018 45.115 45.100 -0.005 0.000 0.666 30 G HN 0.794 nan 8.290 nan 0.000 0.506 31 Y N 2.158 122.402 120.300 -0.092 0.000 2.465 31 Y HA 0.521 5.071 4.550 -0.001 0.000 0.331 31 Y C 1.078 176.929 175.900 -0.081 0.000 1.102 31 Y CA 0.230 58.273 58.100 -0.094 0.000 1.358 31 Y CB 0.927 39.310 38.460 -0.129 0.000 1.213 31 Y HN 0.124 nan 8.280 nan 0.000 0.525 32 Q N 4.743 124.135 119.800 -0.681 0.000 2.171 32 Q HA 0.242 4.582 4.340 -0.001 0.000 0.218 32 Q C 0.655 176.232 176.000 -0.705 0.000 0.822 32 Q CA 0.331 55.810 55.803 -0.539 0.000 0.987 32 Q CB 1.093 29.667 28.738 -0.274 0.000 1.144 32 Q HN 0.951 nan 8.270 nan 0.000 0.494 33 G N 0.455 108.425 108.800 -1.385 0.000 2.588 33 G HA2 0.397 4.356 3.960 -0.001 0.000 0.278 33 G HA3 0.397 4.356 3.960 -0.001 0.000 0.278 33 G C -0.047 174.642 174.900 -0.352 0.000 1.307 33 G CA -0.629 44.039 45.100 -0.719 0.000 1.016 33 G HN 0.146 nan 8.290 nan 0.000 0.503 34 L N -0.338 120.856 121.223 -0.049 0.000 2.485 34 L HA 0.213 4.552 4.340 -0.001 0.000 0.275 34 L C -0.085 176.857 176.870 0.120 0.000 1.207 34 L CA 0.540 55.390 54.840 0.017 0.000 0.855 34 L CB 0.340 42.415 42.059 0.027 0.000 1.114 34 L HN 0.231 nan 8.230 nan 0.000 0.485 35 I N 2.151 122.741 120.570 0.034 0.000 2.499 35 I HA 0.310 4.479 4.170 -0.001 0.000 0.288 35 I C -0.562 175.484 176.117 -0.119 0.000 1.048 35 I CA -0.256 61.040 61.300 -0.005 0.000 1.062 35 I CB 2.162 40.142 38.000 -0.034 0.000 1.238 35 I HN 0.496 nan 8.210 nan 0.000 0.426 36 T N 5.217 119.703 114.554 -0.113 0.000 2.824 36 T HA 0.565 4.914 4.350 -0.001 0.000 0.282 36 T C -0.473 174.116 174.700 -0.184 0.000 0.993 36 T CA -0.547 61.461 62.100 -0.154 0.000 0.967 36 T CB 2.242 71.071 68.868 -0.065 0.000 0.960 36 T HN 0.151 nan 8.240 nan 0.000 0.441 37 V N 3.413 123.169 119.914 -0.265 0.000 2.495 37 V HA 0.511 4.631 4.120 -0.001 0.000 0.298 37 V C -0.319 175.757 176.094 -0.030 0.000 1.031 37 V CA -0.774 61.412 62.300 -0.191 0.000 0.871 37 V CB 1.923 33.524 31.823 -0.370 0.000 0.988 37 V HN 0.726 nan 8.190 nan 0.000 0.432 38 V N 3.686 123.600 119.914 0.000 0.000 2.370 38 V HA 0.788 4.908 4.120 -0.001 0.000 0.283 38 V C 0.596 176.725 176.094 0.059 0.000 1.023 38 V CA -0.228 62.094 62.300 0.036 0.000 0.857 38 V CB 1.544 33.374 31.823 0.012 0.000 0.985 38 V HN 0.985 nan 8.190 nan 0.000 0.443 39 G N 2.632 111.487 108.800 0.091 0.000 2.626 39 G HA2 0.481 4.440 3.960 -0.001 0.000 0.304 39 G HA3 0.481 4.440 3.960 -0.001 0.000 0.304 39 G C 0.308 175.246 174.900 0.065 0.000 1.385 39 G CA -0.352 44.799 45.100 0.084 0.000 0.957 39 G HN 0.718 nan 8.290 nan 0.000 0.504 40 D N 1.448 121.874 120.400 0.044 0.000 2.224 40 D HA -0.102 4.538 4.640 -0.001 0.000 0.205 40 D C 0.533 176.861 176.300 0.047 0.000 0.965 40 D CA 0.660 54.684 54.000 0.041 0.000 0.852 40 D CB 0.086 40.904 40.800 0.029 0.000 0.947 40 D HN 0.509 nan 8.370 nan 0.000 0.494 41 E N 0.210 120.444 120.200 0.056 0.000 2.316 41 E HA 0.380 4.729 4.350 -0.001 0.000 0.275 41 E C -0.377 176.267 176.600 0.074 0.000 1.029 41 E CA -0.291 56.153 56.400 0.074 0.000 0.871 41 E CB 1.131 30.903 29.700 0.120 0.000 1.022 41 E HN 0.232 nan 8.360 nan 0.000 0.418 42 A N 4.913 127.767 122.820 0.058 0.000 3.063 42 A HA 0.084 4.404 4.320 -0.001 0.000 0.263 42 A C -0.312 177.298 177.584 0.042 0.000 1.736 42 A CA -0.040 52.026 52.037 0.047 0.000 1.408 42 A CB -0.045 18.974 19.000 0.033 0.000 1.108 42 A HN 0.422 nan 8.150 nan 0.000 0.621 43 E N 0.373 120.612 120.200 0.065 0.000 2.321 43 E HA 0.219 4.568 4.350 -0.001 0.000 0.278 43 E C -0.762 175.876 176.600 0.064 0.000 0.902 43 E CA -0.934 55.505 56.400 0.066 0.000 0.758 43 E CB 1.665 31.446 29.700 0.135 0.000 1.213 43 E HN 0.544 nan 8.360 nan 0.000 0.426 44 R N 2.777 123.285 120.500 0.014 0.000 2.504 44 R HA 0.061 4.400 4.340 -0.001 0.000 0.291 44 R C -2.312 173.996 176.300 0.013 0.000 0.974 44 R CA -0.510 55.563 56.100 -0.044 0.000 1.077 44 R CB -0.182 30.084 30.300 -0.057 0.000 0.926 44 R HN 0.123 nan 8.270 nan 0.000 0.407 45 P HA -0.046 nan 4.420 nan 0.000 0.263 45 P C -1.534 175.771 177.300 0.007 0.000 1.175 45 P CA 0.727 63.758 63.100 -0.116 0.000 0.761 45 P CB 0.056 31.571 31.700 -0.309 0.000 0.794 46 Y N -0.344 119.911 120.300 -0.074 0.000 2.615 46 Y HA 0.687 5.237 4.550 -0.001 0.000 0.341 46 Y C -0.868 175.032 175.900 -0.000 0.000 1.089 46 Y CA -1.569 56.504 58.100 -0.046 0.000 1.049 46 Y CB 1.023 39.435 38.460 -0.080 0.000 1.296 46 Y HN 0.086 nan 8.280 nan 0.000 0.470 47 D N 0.832 121.351 120.400 0.198 0.000 2.210 47 D HA 0.374 5.013 4.640 -0.001 0.000 0.249 47 D C 0.457 176.897 176.300 0.233 0.000 1.062 47 D CA -0.450 53.664 54.000 0.189 0.000 0.891 47 D CB 1.592 42.565 40.800 0.289 0.000 1.186 47 D HN 0.744 nan 8.370 nan 0.000 0.432 48 R N 2.517 123.116 120.500 0.166 0.000 2.140 48 R HA 0.038 4.377 4.340 -0.001 0.000 0.213 48 R C -0.974 175.396 176.300 0.117 0.000 1.059 48 R CA 0.456 56.641 56.100 0.142 0.000 1.000 48 R CB -0.676 29.662 30.300 0.063 0.000 0.910 48 R HN 0.370 nan 8.270 nan 0.000 0.455 49 P HA -0.101 nan 4.420 nan 0.000 0.216 49 P C -1.607 175.757 177.300 0.107 0.000 1.150 49 P CA 1.466 64.608 63.100 0.069 0.000 0.843 49 P CB -0.810 30.960 31.700 0.117 0.000 0.787 50 P HA -0.107 nan 4.420 nan 0.000 0.221 50 P C 1.309 178.716 177.300 0.178 0.000 1.145 50 P CA 1.052 64.251 63.100 0.165 0.000 0.795 50 P CB -0.565 31.242 31.700 0.178 0.000 0.775 51 L N -0.756 120.536 121.223 0.115 0.000 2.131 51 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 51 L C 1.848 178.808 176.870 0.150 0.000 1.092 51 L CA 1.883 56.792 54.840 0.114 0.000 0.759 51 L CB -0.941 41.132 42.059 0.023 0.000 0.903 51 L HN 0.118 nan 8.230 nan 0.000 0.435 52 S N -2.473 113.283 115.700 0.094 0.000 2.568 52 S HA 0.232 4.702 4.470 -0.001 0.000 0.232 52 S C 0.686 175.325 174.600 0.065 0.000 0.975 52 S CA -0.581 57.659 58.200 0.067 0.000 0.949 52 S CB 0.391 63.609 63.200 0.029 0.000 0.829 52 S HN 0.328 nan 8.310 nan 0.000 0.479 53 K N 1.021 121.476 120.400 0.091 0.000 3.224 53 K HA 0.368 4.687 4.320 -0.001 0.000 0.302 53 K C 0.223 176.856 176.600 0.055 0.000 0.977 53 K CA -0.367 55.967 56.287 0.078 0.000 1.343 53 K CB -0.196 32.368 32.500 0.108 0.000 3.431 53 K HN -0.156 nan 8.250 nan 0.000 1.096 54 D N 0.908 121.358 120.400 0.084 0.000 2.178 54 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 54 D C 1.559 177.878 176.300 0.032 0.000 0.980 54 D CA 0.975 55.004 54.000 0.049 0.000 0.842 54 D CB -0.083 40.821 40.800 0.172 0.000 0.948 54 D HN 0.172 nan 8.370 nan 0.000 0.472 55 F N 0.916 120.871 119.950 0.009 0.000 2.102 55 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 55 F C 2.203 177.977 175.800 -0.044 0.000 1.105 55 F CA 1.126 59.126 58.000 0.001 0.000 1.239 55 F CB -0.218 38.786 39.000 0.006 0.000 0.991 55 F HN -0.154 nan 8.300 nan 0.000 0.474 56 M N 0.703 120.313 119.600 0.017 0.000 2.202 56 M HA -0.079 4.401 4.480 -0.001 0.000 0.262 56 M C 1.967 178.129 176.300 -0.230 0.000 1.063 56 M CA 1.917 57.177 55.300 -0.067 0.000 1.097 56 M CB -0.942 31.678 32.600 0.034 0.000 1.382 56 M HN 0.219 nan 8.290 nan 0.000 0.413 57 A N -2.191 120.446 122.820 -0.304 0.000 1.984 57 A HA 0.003 4.322 4.320 -0.001 0.000 0.214 57 A C 1.489 178.723 177.584 -0.584 0.000 1.173 57 A CA 1.181 52.934 52.037 -0.473 0.000 0.673 57 A CB -0.680 17.952 19.000 -0.613 0.000 0.830 57 A HN 0.730 nan 8.150 nan 0.000 0.453 58 H N -2.533 116.419 119.070 -0.196 0.000 3.046 58 H HA 0.365 4.920 4.556 -0.001 0.000 0.262 58 H C 1.412 176.564 175.328 -0.295 0.000 1.044 58 H CA 0.219 56.156 56.048 -0.185 0.000 1.209 58 H CB 0.727 30.433 29.762 -0.094 0.000 1.507 58 H HN 0.555 nan 8.280 nan 0.000 0.507 59 G N 1.521 109.991 108.800 -0.551 0.000 2.166 59 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 59 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 59 G C -0.255 174.445 174.900 -0.334 0.000 0.986 59 G CA 0.605 45.185 45.100 -0.867 0.000 0.683 59 G HN 0.448 nan 8.290 nan 0.000 0.527 60 D N 0.309 120.685 120.400 -0.039 0.000 2.428 60 D HA 0.656 5.295 4.640 -0.001 0.000 0.221 60 D C 1.362 177.846 176.300 0.307 0.000 1.123 60 D CA 0.272 54.355 54.000 0.138 0.000 0.869 60 D CB 0.586 41.435 40.800 0.082 0.000 1.032 60 D HN 0.314 nan 8.370 nan 0.000 0.506 61 A N 4.100 127.116 122.820 0.327 0.000 2.121 61 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 61 A C 1.565 179.192 177.584 0.071 0.000 1.154 61 A CA 0.780 52.912 52.037 0.158 0.000 0.679 61 A CB -0.056 18.946 19.000 0.003 0.000 0.795 61 A HN 0.445 nan 8.150 nan 0.000 0.458 62 E N 0.286 120.534 120.200 0.080 0.000 2.511 62 E HA -0.020 4.329 4.350 -0.001 0.000 0.196 62 E C 1.067 177.703 176.600 0.060 0.000 1.066 62 E CA 0.554 56.983 56.400 0.050 0.000 0.871 62 E CB -0.093 29.628 29.700 0.035 0.000 0.863 62 E HN 0.653 nan 8.360 nan 0.000 0.520 63 K N 0.459 120.914 120.400 0.091 0.000 2.404 63 K HA 0.177 4.496 4.320 -0.001 0.000 0.194 63 K C 1.654 178.316 176.600 0.103 0.000 1.023 63 K CA 0.238 56.581 56.287 0.093 0.000 1.094 63 K CB 0.402 32.968 32.500 0.110 0.000 0.841 63 K HN 0.186 nan 8.250 nan 0.000 0.523 64 I N -2.561 118.069 120.570 0.099 0.000 4.081 64 I HA 0.233 4.402 4.170 -0.001 0.000 0.333 64 I C -0.247 175.943 176.117 0.122 0.000 1.413 64 I CA -0.708 60.658 61.300 0.110 0.000 1.110 64 I CB 0.369 38.419 38.000 0.084 0.000 1.082 64 I HN -0.209 nan 8.210 nan 0.000 0.402 65 R N 2.168 122.721 120.500 0.087 0.000 2.594 65 R HA 0.470 4.809 4.340 -0.001 0.000 0.272 65 R C -0.341 175.999 176.300 0.066 0.000 1.074 65 R CA -0.466 55.680 56.100 0.076 0.000 1.105 65 R CB 1.148 31.464 30.300 0.027 0.000 1.008 65 R HN 0.307 nan 8.270 nan 0.000 0.472 66 L N 1.374 122.619 121.223 0.037 0.000 2.417 66 L HA 0.078 4.417 4.340 -0.001 0.000 0.268 66 L C 0.639 177.500 176.870 -0.014 0.000 1.158 66 L CA -0.478 54.375 54.840 0.022 0.000 0.819 66 L CB 0.443 42.492 42.059 -0.017 0.000 1.112 66 L HN 0.454 nan 8.230 nan 0.000 0.458 67 D N 1.128 121.539 120.400 0.018 0.000 2.352 67 D HA 0.095 4.734 4.640 -0.001 0.000 0.245 67 D C 0.199 176.503 176.300 0.006 0.000 1.224 67 D CA -0.243 53.765 54.000 0.012 0.000 0.879 67 D CB 0.763 41.587 40.800 0.040 0.000 1.057 67 D HN 0.450 nan 8.370 nan 0.000 0.491 68 C N 4.573 123.854 119.300 -0.031 0.000 2.754 68 C HA 0.072 4.532 4.460 -0.001 0.000 0.276 68 C C 2.149 177.195 174.990 0.093 0.000 1.264 68 C CA -0.427 58.602 59.018 0.018 0.000 1.700 68 C CB -1.016 26.622 27.740 -0.169 0.000 1.885 68 C HN 0.708 nan 8.230 nan 0.000 0.607 69 K N 1.235 121.668 120.400 0.056 0.000 2.217 69 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 69 K C 1.676 178.316 176.600 0.067 0.000 1.051 69 K CA 1.017 57.340 56.287 0.061 0.000 0.952 69 K CB -0.244 32.279 32.500 0.038 0.000 0.736 69 K HN 0.385 nan 8.250 nan 0.000 0.453 70 R N 0.582 121.122 120.500 0.066 0.000 2.323 70 R HA 0.092 4.432 4.340 -0.001 0.000 0.198 70 R C 0.155 176.497 176.300 0.071 0.000 0.988 70 R CA 0.470 56.605 56.100 0.057 0.000 1.041 70 R CB 0.261 30.589 30.300 0.047 0.000 0.926 70 R HN 0.243 nan 8.270 nan 0.000 0.476 71 A N 2.079 124.971 122.820 0.119 0.000 3.165 71 A HA 0.307 4.627 4.320 -0.001 0.000 0.331 71 A C -2.365 175.308 177.584 0.148 0.000 1.034 71 A CA -1.504 50.619 52.037 0.143 0.000 0.906 71 A CB 0.177 19.331 19.000 0.256 0.000 1.054 71 A HN -0.044 nan 8.150 nan 0.000 0.484 72 P HA 0.114 nan 4.420 nan 0.000 0.272 72 P C -0.223 177.101 177.300 0.040 0.000 1.230 72 P CA 0.515 63.657 63.100 0.070 0.000 0.788 72 P CB 0.481 32.202 31.700 0.035 0.000 0.949 73 E N -2.107 118.115 120.200 0.037 0.000 2.389 73 E HA -0.123 4.226 4.350 -0.001 0.000 0.243 73 E C -0.739 175.837 176.600 -0.039 0.000 1.154 73 E CA 0.606 57.005 56.400 -0.002 0.000 0.723 73 E CB -1.980 27.700 29.700 -0.033 0.000 1.261 73 E HN 0.225 nan 8.360 nan 0.000 0.390 74 V N 0.702 120.589 119.914 -0.044 0.000 2.495 74 V HA 0.264 4.383 4.120 -0.001 0.000 0.298 74 V C 0.428 176.353 176.094 -0.281 0.000 1.031 74 V CA -0.607 61.538 62.300 -0.258 0.000 0.871 74 V CB 1.927 33.444 31.823 -0.511 0.000 0.988 74 V HN 0.200 nan 8.190 nan 0.000 0.432 75 E N 3.899 123.936 120.200 -0.272 0.000 2.130 75 E HA 0.279 4.629 4.350 -0.001 0.000 0.284 75 E C -1.523 174.926 176.600 -0.252 0.000 1.018 75 E CA -0.484 55.832 56.400 -0.140 0.000 0.817 75 E CB 0.682 30.349 29.700 -0.055 0.000 1.078 75 E HN 0.607 nan 8.360 nan 0.000 0.396 76 W N 5.875 127.189 121.300 0.024 0.000 2.308 76 W HA 0.308 4.968 4.660 -0.000 0.000 0.311 76 W C -0.564 175.968 176.519 0.021 0.000 1.088 76 W CA -0.635 56.723 57.345 0.022 0.000 1.309 76 W CB 0.648 30.121 29.460 0.022 0.000 1.229 76 W HN 0.384 nan 8.180 nan 0.000 0.427 77 L N 5.894 127.227 121.223 0.183 0.000 2.358 77 L HA 0.293 4.632 4.340 -0.001 0.000 0.274 77 L C 0.025 176.976 176.870 0.135 0.000 1.136 77 L CA -0.364 54.552 54.840 0.127 0.000 0.970 77 L CB -0.406 41.697 42.059 0.072 0.000 1.314 77 L HN 0.322 nan 8.230 nan 0.000 0.427 78 L N 2.120 123.427 121.223 0.141 0.000 2.395 78 L HA 0.426 4.766 4.340 -0.001 0.000 0.269 78 L C 1.355 178.272 176.870 0.078 0.000 1.133 78 L CA -0.098 54.810 54.840 0.113 0.000 0.812 78 L CB 0.901 43.019 42.059 0.098 0.000 1.125 78 L HN 0.753 nan 8.230 nan 0.000 0.452 79 G N 2.055 110.895 108.800 0.066 0.000 2.160 79 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.251 79 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.251 79 G C -0.279 174.649 174.900 0.047 0.000 1.008 79 G CA 0.062 45.192 45.100 0.051 0.000 0.724 79 G HN 0.360 nan 8.290 nan 0.000 0.514 80 V N 0.147 120.091 119.914 0.051 0.000 2.604 80 V HA 0.716 4.836 4.120 -0.001 0.000 0.305 80 V C 0.303 176.422 176.094 0.041 0.000 1.043 80 V CA -0.399 61.928 62.300 0.045 0.000 0.888 80 V CB 2.123 33.975 31.823 0.049 0.000 0.995 80 V HN 0.265 nan 8.190 nan 0.000 0.429 81 T N 3.705 118.281 114.554 0.036 0.000 2.771 81 T HA 0.613 4.963 4.350 -0.001 0.000 0.281 81 T C 0.203 174.925 174.700 0.037 0.000 0.982 81 T CA -0.207 61.913 62.100 0.033 0.000 0.978 81 T CB 1.489 70.374 68.868 0.028 0.000 0.930 81 T HN 0.947 nan 8.240 nan 0.000 0.447 82 A N 3.103 125.946 122.820 0.038 0.000 2.451 82 A HA 0.240 4.560 4.320 -0.001 0.000 0.266 82 A C 1.080 178.698 177.584 0.057 0.000 1.119 82 A CA -0.224 51.844 52.037 0.052 0.000 0.786 82 A CB 0.223 19.254 19.000 0.052 0.000 1.061 82 A HN 0.963 nan 8.150 nan 0.000 0.503 83 Q N 1.078 120.913 119.800 0.058 0.000 2.339 83 Q HA 0.121 4.460 4.340 -0.001 0.000 0.205 83 Q C 0.297 176.324 176.000 0.045 0.000 0.925 83 Q CA 1.001 56.830 55.803 0.044 0.000 0.898 83 Q CB 0.243 29.001 28.738 0.032 0.000 1.013 83 Q HN 0.970 nan 8.270 nan 0.000 0.504 84 S N -0.614 115.131 115.700 0.074 0.000 2.595 84 S HA 0.572 5.042 4.470 -0.001 0.000 0.270 84 S C -1.296 173.407 174.600 0.172 0.000 1.145 84 S CA -1.147 57.084 58.200 0.052 0.000 0.825 84 S CB 0.778 63.968 63.200 -0.018 0.000 1.107 84 S HN 0.256 nan 8.310 nan 0.000 0.461 85 F N -0.344 119.620 119.950 0.023 0.000 2.588 85 F HA 0.840 5.366 4.527 -0.001 0.000 0.314 85 F C -1.077 174.757 175.800 0.057 0.000 1.069 85 F CA -0.789 57.248 58.000 0.062 0.000 0.931 85 F CB 1.487 40.527 39.000 0.067 0.000 1.260 85 F HN 0.587 nan 8.300 nan 0.000 0.465 86 D N 3.899 124.435 120.400 0.227 0.000 2.460 86 D HA 0.336 4.975 4.640 -0.001 0.000 0.232 86 D C -1.956 174.434 176.300 0.151 0.000 1.079 86 D CA -2.569 51.480 54.000 0.082 0.000 0.864 86 D CB 1.961 42.791 40.800 0.050 0.000 1.048 86 D HN 0.342 nan 8.370 nan 0.000 0.523 87 P HA -0.058 nan 4.420 nan 0.000 0.233 87 P C 0.903 178.084 177.300 -0.199 0.000 1.167 87 P CA 0.710 63.860 63.100 0.083 0.000 0.770 87 P CB 0.801 32.613 31.700 0.186 0.000 0.837 88 Q N 0.147 119.912 119.800 -0.059 0.000 2.061 88 Q HA 0.069 4.409 4.340 -0.001 0.000 0.195 88 Q C 2.383 178.448 176.000 0.108 0.000 0.967 88 Q CA 1.384 57.198 55.803 0.018 0.000 0.829 88 Q CB -0.583 28.172 28.738 0.029 0.000 0.900 88 Q HN 0.153 nan 8.270 nan 0.000 0.450 89 A N 0.191 123.041 122.820 0.051 0.000 2.119 89 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 89 A C -0.357 177.263 177.584 0.060 0.000 1.153 89 A CA 0.743 52.818 52.037 0.063 0.000 0.692 89 A CB -0.519 18.500 19.000 0.032 0.000 0.799 89 A HN 0.543 nan 8.150 nan 0.000 0.458 90 H N 0.005 118.943 119.070 -0.219 0.000 2.748 90 H HA -0.114 4.442 4.556 -0.000 0.000 0.322 90 H C 0.198 175.184 175.328 -0.571 0.000 1.208 90 H CA 0.815 56.416 56.048 -0.746 0.000 1.151 90 H CB -2.191 27.116 29.762 -0.758 0.000 1.505 90 H HN 0.699 nan 8.280 nan 0.000 0.429 91 T N -3.055 111.477 114.554 -0.037 0.000 2.896 91 T HA 0.778 5.127 4.350 -0.001 0.000 0.297 91 T C -0.349 174.546 174.700 0.326 0.000 1.108 91 T CA -0.758 61.431 62.100 0.148 0.000 1.004 91 T CB 2.654 71.574 68.868 0.088 0.000 1.159 91 T HN 0.094 nan 8.240 nan 0.000 0.499 92 V N 1.082 121.156 119.914 0.267 0.000 2.588 92 V HA 0.776 4.895 4.120 -0.001 0.000 0.304 92 V C 0.259 176.439 176.094 0.144 0.000 1.042 92 V CA -1.097 61.342 62.300 0.232 0.000 0.877 92 V CB 1.474 33.399 31.823 0.170 0.000 0.996 92 V HN 1.333 nan 8.190 nan 0.000 0.425 93 A N 6.079 128.974 122.820 0.125 0.000 2.276 93 A HA 0.802 5.122 4.320 -0.001 0.000 0.300 93 A C -0.492 177.134 177.584 0.069 0.000 1.235 93 A CA -0.326 51.759 52.037 0.081 0.000 0.867 93 A CB 0.183 19.221 19.000 0.064 0.000 1.137 93 A HN 0.808 nan 8.150 nan 0.000 0.527 94 L N 2.425 123.682 121.223 0.056 0.000 2.344 94 L HA 0.314 4.653 4.340 -0.001 0.000 0.272 94 L C 1.677 178.570 176.870 0.039 0.000 1.035 94 L CA -0.314 54.555 54.840 0.047 0.000 0.807 94 L CB 1.805 43.891 42.059 0.045 0.000 1.237 94 L HN 0.927 nan 8.230 nan 0.000 0.442 95 S N -0.819 114.903 115.700 0.035 0.000 2.469 95 S HA -0.165 4.304 4.470 -0.001 0.000 0.238 95 S C 0.972 175.588 174.600 0.028 0.000 0.998 95 S CA 1.064 59.282 58.200 0.030 0.000 0.957 95 S CB -0.435 62.782 63.200 0.028 0.000 0.764 95 S HN 0.850 nan 8.310 nan 0.000 0.514 96 D N 0.006 120.424 120.400 0.030 0.000 2.339 96 D HA 0.293 4.933 4.640 -0.001 0.000 0.217 96 D C 1.389 177.704 176.300 0.026 0.000 1.050 96 D CA 0.546 54.562 54.000 0.028 0.000 0.856 96 D CB -0.449 40.369 40.800 0.030 0.000 0.922 96 D HN 0.549 nan 8.370 nan 0.000 0.518 97 G N -0.104 108.712 108.800 0.027 0.000 2.194 97 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.236 97 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.236 97 G C 0.345 175.262 174.900 0.028 0.000 0.987 97 G CA -0.317 44.798 45.100 0.026 0.000 0.635 97 G HN 0.308 nan 8.290 nan 0.000 0.520 98 R N 0.648 121.166 120.500 0.031 0.000 2.577 98 R HA 0.694 5.034 4.340 -0.001 0.000 0.269 98 R C -0.207 176.118 176.300 0.041 0.000 1.084 98 R CA 0.062 56.182 56.100 0.034 0.000 1.163 98 R CB 0.405 30.725 30.300 0.033 0.000 1.100 98 R HN 0.183 nan 8.270 nan 0.000 0.547 99 T N 1.690 116.270 114.554 0.044 0.000 2.841 99 T HA 0.523 4.873 4.350 -0.001 0.000 0.283 99 T C -0.139 174.597 174.700 0.061 0.000 1.000 99 T CA -0.618 61.516 62.100 0.056 0.000 0.977 99 T CB 1.419 70.317 68.868 0.051 0.000 0.979 99 T HN 0.198 nan 8.240 nan 0.000 0.446 100 L N 5.049 126.321 121.223 0.082 0.000 2.322 100 L HA 0.504 4.843 4.340 -0.001 0.000 0.281 100 L C -2.092 174.851 176.870 0.120 0.000 1.014 100 L CA -2.313 52.581 54.840 0.089 0.000 0.815 100 L CB 1.929 44.042 42.059 0.089 0.000 1.247 100 L HN 0.358 nan 8.230 nan 0.000 0.421 101 P HA 0.224 nan 4.420 nan 0.000 0.277 101 P C -1.747 175.647 177.300 0.157 0.000 1.240 101 P CA -0.196 62.948 63.100 0.074 0.000 0.798 101 P CB 0.925 32.643 31.700 0.031 0.000 0.979 102 Y N -2.112 118.241 120.300 0.087 0.000 2.534 102 Y HA 0.694 5.244 4.550 -0.000 0.000 0.345 102 Y C 0.867 176.836 175.900 0.116 0.000 1.031 102 Y CA -0.984 57.163 58.100 0.079 0.000 1.022 102 Y CB 0.652 39.140 38.460 0.048 0.000 1.292 102 Y HN 0.390 nan 8.280 nan 0.000 0.459 103 G N 0.606 109.562 108.800 0.260 0.000 2.441 103 G HA2 0.236 4.196 3.960 -0.001 0.000 0.212 103 G HA3 0.236 4.196 3.960 -0.001 0.000 0.212 103 G C -0.283 174.852 174.900 0.391 0.000 1.164 103 G CA 0.512 45.735 45.100 0.205 0.000 0.811 103 G HN 0.592 nan 8.290 nan 0.000 0.535 104 T N 0.470 115.235 114.554 0.352 0.000 2.879 104 T HA 0.515 4.864 4.350 -0.001 0.000 0.290 104 T C -1.570 173.123 174.700 -0.013 0.000 0.993 104 T CA -0.399 61.831 62.100 0.216 0.000 0.975 104 T CB 2.468 71.364 68.868 0.046 0.000 0.981 104 T HN 0.099 nan 8.240 nan 0.000 0.439 105 L N 4.501 125.536 121.223 -0.313 0.000 2.329 105 L HA 0.828 5.167 4.340 -0.001 0.000 0.279 105 L C -1.183 175.442 176.870 -0.409 0.000 1.014 105 L CA -0.542 53.884 54.840 -0.690 0.000 0.814 105 L CB 1.513 42.694 42.059 -1.463 0.000 1.257 105 L HN 0.468 nan 8.230 nan 0.000 0.424 106 V N 6.190 125.859 119.914 -0.408 0.000 2.483 106 V HA 0.415 4.534 4.120 -0.001 0.000 0.297 106 V C -0.302 175.567 176.094 -0.376 0.000 1.027 106 V CA -0.590 61.468 62.300 -0.403 0.000 0.855 106 V CB 1.602 33.030 31.823 -0.657 0.000 0.995 106 V HN 0.574 nan 8.190 nan 0.000 0.424 107 L N 4.420 125.455 121.223 -0.312 0.000 2.255 107 L HA 0.716 5.055 4.340 -0.001 0.000 0.289 107 L C 0.562 177.308 176.870 -0.207 0.000 1.046 107 L CA -0.241 54.454 54.840 -0.243 0.000 0.816 107 L CB 1.293 43.238 42.059 -0.190 0.000 1.197 107 L HN 0.768 nan 8.230 nan 0.000 0.427 108 A N 1.274 123.981 122.820 -0.188 0.000 3.105 108 A HA 0.316 4.636 4.320 -0.001 0.000 0.297 108 A C 0.901 178.416 177.584 -0.115 0.000 0.977 108 A CA -0.304 51.634 52.037 -0.165 0.000 1.020 108 A CB -0.179 18.709 19.000 -0.188 0.000 1.098 108 A HN 0.707 nan 8.150 nan 0.000 0.497 109 T N -3.151 111.345 114.554 -0.097 0.000 3.086 109 T HA 0.457 4.807 4.350 -0.001 0.000 0.250 109 T C 1.302 175.962 174.700 -0.067 0.000 1.074 109 T CA 0.818 62.877 62.100 -0.069 0.000 0.988 109 T CB -0.110 68.728 68.868 -0.051 0.000 0.988 109 T HN 1.906 nan 8.240 nan 0.000 0.530 110 G N 1.597 110.349 108.800 -0.081 0.000 2.552 110 G HA2 0.220 4.180 3.960 -0.001 0.000 0.265 110 G HA3 0.220 4.180 3.960 -0.001 0.000 0.265 110 G C -0.122 174.738 174.900 -0.068 0.000 1.234 110 G CA -0.193 44.860 45.100 -0.079 0.000 0.944 110 G HN 1.492 nan 8.290 nan 0.000 0.568 111 A N -1.387 121.396 122.820 -0.061 0.000 2.587 111 A HA 1.066 5.386 4.320 -0.001 0.000 0.293 111 A C -0.029 177.530 177.584 -0.041 0.000 1.087 111 A CA 0.506 52.511 52.037 -0.053 0.000 0.692 111 A CB 1.276 20.240 19.000 -0.060 0.000 1.291 111 A HN 2.636 nan 8.150 nan 0.000 0.407 112 A N 1.101 123.901 122.820 -0.033 0.000 2.355 112 A HA 0.894 5.214 4.320 -0.001 0.000 0.324 112 A C -2.974 174.597 177.584 -0.022 0.000 1.117 112 A CA -1.955 50.068 52.037 -0.022 0.000 0.785 112 A CB 0.791 19.782 19.000 -0.016 0.000 1.254 112 A HN 0.479 nan 8.150 nan 0.000 0.453 113 P HA 0.118 nan 4.420 nan 0.000 0.265 113 P C -0.525 176.767 177.300 -0.013 0.000 1.193 113 P CA 0.210 63.301 63.100 -0.015 0.000 0.765 113 P CB 0.311 32.008 31.700 -0.004 0.000 0.823 114 R N 2.178 122.668 120.500 -0.017 0.000 2.489 114 R HA 0.369 4.709 4.340 -0.001 0.000 0.287 114 R C 0.543 176.836 176.300 -0.010 0.000 1.053 114 R CA -0.210 55.881 56.100 -0.014 0.000 1.036 114 R CB 0.287 30.577 30.300 -0.016 0.000 0.966 114 R HN 0.494 nan 8.270 nan 0.000 0.432 115 A N 3.146 125.961 122.820 -0.008 0.000 2.351 115 A HA 0.233 4.553 4.320 -0.001 0.000 0.257 115 A C -0.529 177.048 177.584 -0.011 0.000 1.087 115 A CA -0.549 51.483 52.037 -0.008 0.000 0.798 115 A CB 0.504 19.501 19.000 -0.006 0.000 1.033 115 A HN 0.538 nan 8.150 nan 0.000 0.488 116 L N 3.373 124.588 121.223 -0.013 0.000 2.259 116 L HA 0.432 4.771 4.340 -0.001 0.000 0.288 116 L C -1.806 175.056 176.870 -0.014 0.000 1.051 116 L CA -1.786 53.045 54.840 -0.015 0.000 0.824 116 L CB 0.983 43.031 42.059 -0.019 0.000 1.206 116 L HN 0.419 nan 8.230 nan 0.000 0.429 117 P HA -0.152 nan 4.420 nan 0.000 0.216 117 P C 1.278 178.571 177.300 -0.012 0.000 1.150 117 P CA 1.703 64.797 63.100 -0.010 0.000 0.843 117 P CB 0.032 31.727 31.700 -0.008 0.000 0.787 118 T N -3.588 110.958 114.554 -0.013 0.000 3.051 118 T HA -0.016 4.333 4.350 -0.001 0.000 0.269 118 T C 1.384 176.073 174.700 -0.017 0.000 1.127 118 T CA 0.763 62.855 62.100 -0.014 0.000 1.107 118 T CB -0.833 68.027 68.868 -0.014 0.000 0.898 118 T HN 0.090 nan 8.240 nan 0.000 0.517 119 L N -0.118 121.093 121.223 -0.020 0.000 2.667 119 L HA 0.326 4.665 4.340 -0.001 0.000 0.232 119 L C 2.440 179.296 176.870 -0.023 0.000 1.138 119 L CA -0.130 54.695 54.840 -0.025 0.000 0.921 119 L CB -0.047 41.992 42.059 -0.033 0.000 1.180 119 L HN 0.162 nan 8.230 nan 0.000 0.487 120 Q N 1.063 120.853 119.800 -0.017 0.000 2.096 120 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 120 Q C 1.890 177.881 176.000 -0.014 0.000 0.982 120 Q CA 1.772 57.567 55.803 -0.014 0.000 0.850 120 Q CB -0.170 28.562 28.738 -0.010 0.000 0.901 120 Q HN 0.406 nan 8.270 nan 0.000 0.422 121 G N -1.091 107.701 108.800 -0.014 0.000 3.448 121 G HA2 0.444 4.404 3.960 -0.001 0.000 0.261 121 G HA3 0.444 4.404 3.960 -0.001 0.000 0.261 121 G C -0.154 174.736 174.900 -0.017 0.000 1.173 121 G CA 0.200 45.293 45.100 -0.013 0.000 0.835 121 G HN 0.437 nan 8.290 nan 0.000 0.534 122 A N 0.458 123.264 122.820 -0.023 0.000 2.483 122 A HA 0.465 4.785 4.320 -0.001 0.000 0.238 122 A C 1.361 178.928 177.584 -0.027 0.000 1.070 122 A CA 0.809 52.828 52.037 -0.029 0.000 0.770 122 A CB 0.272 19.247 19.000 -0.042 0.000 1.008 122 A HN 0.567 nan 8.150 nan 0.000 0.497 123 T N -0.317 114.221 114.554 -0.026 0.000 3.269 123 T HA 0.476 4.825 4.350 -0.001 0.000 0.269 123 T C 0.081 174.765 174.700 -0.026 0.000 0.993 123 T CA 0.010 62.097 62.100 -0.021 0.000 0.909 123 T CB -1.028 67.831 68.868 -0.015 0.000 1.115 123 T HN 0.795 nan 8.240 nan 0.000 0.543 124 M N -0.986 118.590 119.600 -0.041 0.000 2.658 124 M HA 0.770 5.250 4.480 -0.001 0.000 0.295 124 M C -3.219 173.027 176.300 -0.090 0.000 1.248 124 M CA -2.399 52.871 55.300 -0.051 0.000 0.843 124 M CB 1.218 33.788 32.600 -0.049 0.000 1.749 124 M HN -0.330 nan 8.290 nan 0.000 0.464 125 P HA 0.304 nan 4.420 nan 0.000 0.271 125 P C -1.276 175.771 177.300 -0.422 0.000 1.226 125 P CA -0.222 62.725 63.100 -0.255 0.000 0.765 125 P CB 0.648 32.254 31.700 -0.157 0.000 0.835 126 V N 5.020 124.612 119.914 -0.537 0.000 2.524 126 V HA 0.322 4.442 4.120 -0.001 0.000 0.297 126 V C -0.364 175.489 176.094 -0.401 0.000 1.035 126 V CA -0.557 61.510 62.300 -0.389 0.000 0.867 126 V CB 1.370 33.093 31.823 -0.167 0.000 1.004 126 V HN 0.612 nan 8.190 nan 0.000 0.426 127 H N 1.820 120.888 119.070 -0.004 0.000 2.834 127 H HA 0.796 5.351 4.556 -0.001 0.000 0.369 127 H C -0.038 175.287 175.328 -0.004 0.000 1.174 127 H CA -0.533 55.514 56.048 -0.002 0.000 1.165 127 H CB 2.449 32.212 29.762 0.002 0.000 1.820 127 H HN 0.703 nan 8.280 nan 0.000 0.558 128 T N -1.022 113.615 114.554 0.138 0.000 2.940 128 T HA 0.517 4.866 4.350 -0.001 0.000 0.288 128 T C -0.584 174.151 174.700 0.058 0.000 1.045 128 T CA -0.983 61.158 62.100 0.069 0.000 1.018 128 T CB 1.624 70.514 68.868 0.037 0.000 1.151 128 T HN 0.219 nan 8.240 nan 0.000 0.529 129 L N 1.124 122.367 121.223 0.033 0.000 2.401 129 L HA 0.713 5.053 4.340 -0.001 0.000 0.263 129 L C 0.392 177.271 176.870 0.015 0.000 1.004 129 L CA -0.400 54.455 54.840 0.025 0.000 0.881 129 L CB 1.153 43.227 42.059 0.025 0.000 1.219 129 L HN 0.845 nan 8.230 nan 0.000 0.441 130 R N 1.335 121.846 120.500 0.020 0.000 2.562 130 R HA 0.354 4.694 4.340 -0.001 0.000 0.191 130 R C 0.264 176.597 176.300 0.056 0.000 0.835 130 R CA 1.110 57.223 56.100 0.022 0.000 1.036 130 R CB 0.371 30.678 30.300 0.011 0.000 1.437 130 R HN 0.606 nan 8.270 nan 0.000 0.654 131 T N -1.621 112.969 114.554 0.060 0.000 2.948 131 T HA 0.246 4.596 4.350 -0.001 0.000 0.285 131 T C 1.000 175.699 174.700 -0.000 0.000 1.019 131 T CA -0.612 61.558 62.100 0.117 0.000 1.013 131 T CB 1.093 70.017 68.868 0.095 0.000 1.117 131 T HN 0.010 nan 8.240 nan 0.000 0.533 132 L N 0.653 121.788 121.223 -0.147 0.000 2.042 132 L HA 0.008 4.347 4.340 -0.001 0.000 0.210 132 L C 2.621 179.358 176.870 -0.221 0.000 1.076 132 L CA 2.120 56.689 54.840 -0.451 0.000 0.749 132 L CB -1.245 40.291 42.059 -0.872 0.000 0.893 132 L HN 1.000 nan 8.230 nan 0.000 0.432 133 E N -0.901 119.223 120.200 -0.127 0.000 2.058 133 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 133 E C 1.732 178.300 176.600 -0.052 0.000 0.997 133 E CA 1.577 57.938 56.400 -0.066 0.000 0.801 133 E CB -0.037 29.641 29.700 -0.036 0.000 0.746 133 E HN 0.533 nan 8.360 nan 0.000 0.450 134 D N 0.182 120.557 120.400 -0.041 0.000 2.104 134 D HA -0.175 4.464 4.640 -0.001 0.000 0.194 134 D C 1.848 178.126 176.300 -0.037 0.000 0.994 134 D CA 1.520 55.495 54.000 -0.041 0.000 0.830 134 D CB -0.416 40.380 40.800 -0.007 0.000 0.959 134 D HN 0.329 nan 8.370 nan 0.000 0.452 135 A N 0.982 123.800 122.820 -0.003 0.000 1.902 135 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 135 A C 2.202 179.870 177.584 0.141 0.000 1.181 135 A CA 1.337 53.426 52.037 0.087 0.000 0.623 135 A CB -0.445 18.626 19.000 0.118 0.000 0.818 135 A HN 0.125 nan 8.150 nan 0.000 0.443 136 R N -0.993 119.585 120.500 0.130 0.000 2.081 136 R HA -0.115 4.225 4.340 -0.001 0.000 0.235 136 R C 2.530 178.828 176.300 -0.004 0.000 1.131 136 R CA 1.559 57.722 56.100 0.106 0.000 0.960 136 R CB -0.312 30.038 30.300 0.083 0.000 0.856 136 R HN 0.577 nan 8.270 nan 0.000 0.436 137 R N 0.971 121.430 120.500 -0.069 0.000 2.075 137 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 137 R C 2.117 178.290 176.300 -0.212 0.000 1.126 137 R CA 1.394 57.391 56.100 -0.171 0.000 0.963 137 R CB -0.165 29.971 30.300 -0.273 0.000 0.858 137 R HN 0.180 nan 8.270 nan 0.000 0.435 138 I N 0.732 121.200 120.570 -0.170 0.000 2.202 138 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 138 I C 2.812 178.913 176.117 -0.026 0.000 1.091 138 I CA 1.040 62.293 61.300 -0.080 0.000 1.368 138 I CB -0.412 37.580 38.000 -0.012 0.000 1.058 138 I HN 0.317 nan 8.210 nan 0.000 0.410 139 Q N 1.323 121.112 119.800 -0.017 0.000 2.096 139 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 139 Q C 2.261 178.238 176.000 -0.037 0.000 0.982 139 Q CA 2.161 57.945 55.803 -0.031 0.000 0.850 139 Q CB -0.200 28.506 28.738 -0.054 0.000 0.901 139 Q HN 0.552 nan 8.270 nan 0.000 0.422 140 A N -0.369 122.429 122.820 -0.036 0.000 2.070 140 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 140 A C 1.997 179.572 177.584 -0.014 0.000 1.159 140 A CA 1.604 53.624 52.037 -0.029 0.000 0.656 140 A CB -0.591 18.391 19.000 -0.029 0.000 0.800 140 A HN 0.498 nan 8.150 nan 0.000 0.453 141 G N -1.334 107.464 108.800 -0.004 0.000 3.126 141 G HA2 0.345 4.305 3.960 -0.001 0.000 0.224 141 G HA3 0.345 4.305 3.960 -0.001 0.000 0.224 141 G C 0.560 175.469 174.900 0.014 0.000 1.142 141 G CA -0.302 44.812 45.100 0.022 0.000 0.759 141 G HN 0.364 nan 8.290 nan 0.000 0.550 142 L N 2.004 123.224 121.223 -0.004 0.000 2.511 142 L HA 0.229 4.569 4.340 -0.001 0.000 0.239 142 L C 1.059 177.913 176.870 -0.028 0.000 1.400 142 L CA -0.409 54.422 54.840 -0.016 0.000 1.226 142 L CB -0.262 41.781 42.059 -0.027 0.000 1.475 142 L HN 0.132 nan 8.230 nan 0.000 0.428 143 R N 2.302 122.790 120.500 -0.019 0.000 2.442 143 R HA 0.225 4.565 4.340 -0.001 0.000 0.291 143 R C -2.288 173.986 176.300 -0.044 0.000 1.069 143 R CA -1.431 54.654 56.100 -0.024 0.000 1.022 143 R CB 0.709 31.003 30.300 -0.010 0.000 0.976 143 R HN 0.034 nan 8.270 nan 0.000 0.443 144 P HA -0.019 nan 4.420 nan 0.000 0.266 144 P C -0.743 176.503 177.300 -0.089 0.000 1.195 144 P CA 0.412 63.462 63.100 -0.084 0.000 0.768 144 P CB 0.628 32.289 31.700 -0.064 0.000 0.838 145 Q N -1.211 118.478 119.800 -0.185 0.000 2.324 145 Q HA -0.207 4.132 4.340 -0.001 0.000 0.200 145 Q C 0.311 176.323 176.000 0.019 0.000 0.645 145 Q CA 1.639 57.347 55.803 -0.159 0.000 1.377 145 Q CB -2.527 26.218 28.738 0.011 0.000 1.486 145 Q HN 0.683 nan 8.270 nan 0.000 0.796 146 S N -0.383 115.308 115.700 -0.014 0.000 2.624 146 S HA 0.563 5.032 4.470 -0.001 0.000 0.263 146 S C 0.125 174.787 174.600 0.103 0.000 1.287 146 S CA -0.731 57.501 58.200 0.052 0.000 0.990 146 S CB 1.280 64.491 63.200 0.019 0.000 0.950 146 S HN 0.275 nan 8.310 nan 0.000 0.561 147 R N 0.461 121.020 120.500 0.099 0.000 2.343 147 R HA 0.537 4.876 4.340 -0.001 0.000 0.320 147 R C -1.215 175.113 176.300 0.047 0.000 0.956 147 R CA -0.728 55.431 56.100 0.099 0.000 0.836 147 R CB 1.268 31.610 30.300 0.070 0.000 1.151 147 R HN 0.589 nan 8.270 nan 0.000 0.450 148 L N 4.254 125.502 121.223 0.041 0.000 2.307 148 L HA 0.469 4.809 4.340 -0.001 0.000 0.284 148 L C -1.399 175.474 176.870 0.004 0.000 1.023 148 L CA -0.832 54.019 54.840 0.018 0.000 0.810 148 L CB 1.497 43.566 42.059 0.016 0.000 1.231 148 L HN 0.493 nan 8.230 nan 0.000 0.423 149 L N 6.209 127.426 121.223 -0.011 0.000 2.296 149 L HA 0.620 4.960 4.340 -0.001 0.000 0.286 149 L C -0.988 175.863 176.870 -0.031 0.000 1.023 149 L CA 0.008 54.832 54.840 -0.027 0.000 0.812 149 L CB 1.093 43.132 42.059 -0.034 0.000 1.223 149 L HN 0.593 nan 8.230 nan 0.000 0.421 150 I N 5.558 126.103 120.570 -0.042 0.000 2.377 150 I HA 0.375 4.544 4.170 -0.001 0.000 0.293 150 I C -0.670 175.412 176.117 -0.059 0.000 0.987 150 I CA -0.861 60.412 61.300 -0.046 0.000 1.185 150 I CB 1.845 39.814 38.000 -0.052 0.000 1.341 150 I HN 0.271 nan 8.210 nan 0.000 0.455 151 V N 5.454 125.339 119.914 -0.048 0.000 2.328 151 V HA 0.789 4.909 4.120 -0.001 0.000 0.278 151 V C 0.364 176.430 176.094 -0.046 0.000 1.021 151 V CA -0.408 61.862 62.300 -0.049 0.000 0.838 151 V CB 0.550 32.349 31.823 -0.039 0.000 0.999 151 V HN 1.061 nan 8.190 nan 0.000 0.447 152 G N 3.403 112.170 108.800 -0.055 0.000 3.187 152 G HA2 0.222 4.181 3.960 -0.001 0.000 0.682 152 G HA3 0.222 4.181 3.960 -0.001 0.000 0.682 152 G C 0.073 174.938 174.900 -0.057 0.000 1.266 152 G CA -0.482 44.592 45.100 -0.045 0.000 0.902 152 G HN 1.156 nan 8.290 nan 0.000 0.589 153 G N 0.619 109.395 108.800 -0.040 0.000 3.814 153 G HA2 0.657 4.617 3.960 -0.001 0.000 0.293 153 G HA3 0.657 4.617 3.960 -0.001 0.000 0.293 153 G C 0.885 175.781 174.900 -0.007 0.000 1.243 153 G CA 0.927 46.004 45.100 -0.038 0.000 1.053 153 G HN 1.266 nan 8.290 nan 0.000 0.562 154 G N -0.534 108.252 108.800 -0.023 0.000 2.563 154 G HA2 0.362 4.322 3.960 -0.001 0.000 0.283 154 G HA3 0.362 4.322 3.960 -0.001 0.000 0.283 154 G C 1.437 176.317 174.900 -0.033 0.000 1.309 154 G CA 0.262 45.347 45.100 -0.025 0.000 1.022 154 G HN 0.493 nan 8.290 nan 0.000 0.501 155 V N -1.151 118.736 119.914 -0.046 0.000 2.343 155 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 155 V C 2.591 178.658 176.094 -0.044 0.000 1.051 155 V CA 1.726 64.006 62.300 -0.033 0.000 1.036 155 V CB -0.974 30.814 31.823 -0.059 0.000 0.654 155 V HN 0.608 nan 8.190 nan 0.000 0.451 156 I N 1.790 122.321 120.570 -0.066 0.000 2.252 156 I HA -0.071 4.099 4.170 -0.001 0.000 0.245 156 I C 2.836 178.933 176.117 -0.033 0.000 1.102 156 I CA 1.684 62.953 61.300 -0.050 0.000 1.385 156 I CB -1.097 36.870 38.000 -0.055 0.000 1.064 156 I HN 0.441 nan 8.210 nan 0.000 0.414 157 G N 1.209 109.983 108.800 -0.043 0.000 2.440 157 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 157 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 157 G C 1.709 176.567 174.900 -0.069 0.000 1.154 157 G CA 0.620 45.690 45.100 -0.050 0.000 0.767 157 G HN 0.276 nan 8.290 nan 0.000 0.552 158 L N -0.083 121.089 121.223 -0.084 0.000 2.109 158 L HA 0.035 4.374 4.340 -0.001 0.000 0.207 158 L C 2.844 179.728 176.870 0.024 0.000 1.086 158 L CA 0.878 55.632 54.840 -0.143 0.000 0.760 158 L CB -0.372 41.592 42.059 -0.157 0.000 0.910 158 L HN 0.265 nan 8.230 nan 0.000 0.437 159 E N 0.152 120.378 120.200 0.043 0.000 2.077 159 E HA -0.261 4.089 4.350 -0.001 0.000 0.193 159 E C 2.117 178.753 176.600 0.060 0.000 0.989 159 E CA 1.111 57.553 56.400 0.070 0.000 0.800 159 E CB -0.163 29.556 29.700 0.032 0.000 0.746 159 E HN 0.239 nan 8.360 nan 0.000 0.452 160 L N 1.059 122.299 121.223 0.028 0.000 2.046 160 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 160 L C 2.211 179.098 176.870 0.029 0.000 1.077 160 L CA 1.903 56.758 54.840 0.024 0.000 0.747 160 L CB -0.614 41.453 42.059 0.013 0.000 0.896 160 L HN 0.030 nan 8.230 nan 0.000 0.432 161 A N -0.458 122.375 122.820 0.021 0.000 1.883 161 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 161 A C 2.455 180.103 177.584 0.106 0.000 1.186 161 A CA 2.014 54.071 52.037 0.034 0.000 0.624 161 A CB -1.208 17.769 19.000 -0.038 0.000 0.822 161 A HN 0.571 nan 8.150 nan 0.000 0.444 162 A N -1.250 121.681 122.820 0.184 0.000 1.898 162 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 162 A C 2.305 179.945 177.584 0.092 0.000 1.181 162 A CA 2.238 54.390 52.037 0.192 0.000 0.620 162 A CB -1.250 17.903 19.000 0.255 0.000 0.819 162 A HN 0.429 nan 8.150 nan 0.000 0.442 163 T N 0.306 114.899 114.554 0.064 0.000 2.746 163 T HA -0.038 4.312 4.350 -0.001 0.000 0.267 163 T C 2.210 176.909 174.700 -0.001 0.000 1.039 163 T CA 1.642 63.753 62.100 0.018 0.000 1.142 163 T CB -0.416 68.457 68.868 0.008 0.000 0.866 163 T HN 0.588 nan 8.240 nan 0.000 0.444 164 A N 1.784 124.609 122.820 0.007 0.000 1.898 164 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 164 A C 2.397 179.969 177.584 -0.021 0.000 1.181 164 A CA 0.990 53.021 52.037 -0.010 0.000 0.620 164 A CB -0.320 18.679 19.000 -0.003 0.000 0.819 164 A HN 0.189 nan 8.150 nan 0.000 0.442 165 R N -0.389 120.111 120.500 -0.000 0.000 2.096 165 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 165 R C 2.123 178.408 176.300 -0.024 0.000 1.127 165 R CA 1.789 57.881 56.100 -0.013 0.000 0.968 165 R CB -1.567 28.738 30.300 0.007 0.000 0.861 165 R HN 0.546 nan 8.270 nan 0.000 0.440 166 T N 1.171 115.719 114.554 -0.009 0.000 2.833 166 T HA -0.071 4.279 4.350 -0.001 0.000 0.269 166 T C 1.659 176.339 174.700 -0.032 0.000 1.054 166 T CA 1.409 63.501 62.100 -0.014 0.000 1.135 166 T CB -0.122 68.743 68.868 -0.004 0.000 0.869 166 T HN 0.353 nan 8.240 nan 0.000 0.466 167 A N 0.306 123.101 122.820 -0.043 0.000 2.235 167 A HA 0.486 4.805 4.320 -0.001 0.000 0.208 167 A C 1.842 179.384 177.584 -0.070 0.000 1.172 167 A CA 0.811 52.815 52.037 -0.055 0.000 0.786 167 A CB -0.773 18.193 19.000 -0.058 0.000 0.804 167 A HN 0.728 nan 8.150 nan 0.000 0.479 168 G N -1.408 107.342 108.800 -0.083 0.000 2.137 168 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.237 168 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.237 168 G C 0.042 174.807 174.900 -0.225 0.000 1.002 168 G CA 0.145 45.166 45.100 -0.131 0.000 0.702 168 G HN 0.778 nan 8.290 nan 0.000 0.515 169 V N 2.402 122.208 119.914 -0.180 0.000 2.481 169 V HA 0.408 4.527 4.120 -0.001 0.000 0.286 169 V C 0.708 176.684 176.094 -0.197 0.000 1.042 169 V CA -1.198 60.985 62.300 -0.195 0.000 0.928 169 V CB 1.259 33.034 31.823 -0.080 0.000 0.986 169 V HN 0.359 nan 8.190 nan 0.000 0.462 170 H N 3.160 122.224 119.070 -0.010 0.000 2.722 170 H HA 0.395 4.950 4.556 -0.001 0.000 0.328 170 H C -0.482 174.836 175.328 -0.016 0.000 1.067 170 H CA -0.124 55.916 56.048 -0.014 0.000 1.447 170 H CB 1.354 31.107 29.762 -0.015 0.000 1.469 170 H HN 0.354 nan 8.280 nan 0.000 0.544 171 V N 3.235 123.206 119.914 0.094 0.000 2.531 171 V HA 0.201 4.320 4.120 -0.001 0.000 0.301 171 V C 0.093 176.193 176.094 0.010 0.000 1.034 171 V CA -0.652 61.669 62.300 0.035 0.000 0.865 171 V CB 1.890 33.723 31.823 0.016 0.000 0.995 171 V HN 0.738 nan 8.190 nan 0.000 0.424 172 S N 4.677 120.370 115.700 -0.012 0.000 2.578 172 S HA 0.846 5.315 4.470 -0.001 0.000 0.301 172 S C -0.741 173.817 174.600 -0.071 0.000 1.091 172 S CA -0.562 57.612 58.200 -0.044 0.000 1.032 172 S CB 1.824 64.999 63.200 -0.042 0.000 1.064 172 S HN 0.658 nan 8.310 nan 0.000 0.508 173 L N 2.451 123.606 121.223 -0.113 0.000 2.464 173 L HA 0.684 5.024 4.340 -0.001 0.000 0.266 173 L C -1.741 175.016 176.870 -0.189 0.000 0.965 173 L CA -0.557 54.196 54.840 -0.144 0.000 0.833 173 L CB 1.526 43.481 42.059 -0.173 0.000 1.296 173 L HN 0.451 nan 8.230 nan 0.000 0.405 174 V N 3.394 123.218 119.914 -0.151 0.000 2.417 174 V HA 0.559 4.679 4.120 -0.001 0.000 0.291 174 V C -0.675 175.339 176.094 -0.133 0.000 1.024 174 V CA -0.445 61.768 62.300 -0.145 0.000 0.861 174 V CB 1.716 33.487 31.823 -0.087 0.000 0.985 174 V HN 0.748 nan 8.190 nan 0.000 0.436 175 E N 2.646 122.757 120.200 -0.148 0.000 2.246 175 E HA 0.402 4.752 4.350 -0.001 0.000 0.266 175 E C 0.796 177.410 176.600 0.024 0.000 0.880 175 E CA -0.069 56.295 56.400 -0.059 0.000 0.762 175 E CB 2.095 31.759 29.700 -0.059 0.000 1.180 175 E HN 0.693 nan 8.360 nan 0.000 0.416 176 T N 1.297 115.872 114.554 0.035 0.000 2.904 176 T HA -0.026 4.323 4.350 -0.001 0.000 0.267 176 T C 0.759 175.508 174.700 0.082 0.000 1.059 176 T CA 0.567 62.695 62.100 0.047 0.000 1.137 176 T CB -0.047 68.838 68.868 0.029 0.000 0.879 176 T HN 0.333 nan 8.240 nan 0.000 0.467 177 Q N 1.570 121.434 119.800 0.107 0.000 2.396 177 Q HA 0.258 4.597 4.340 -0.001 0.000 0.221 177 Q C -1.771 174.335 176.000 0.176 0.000 1.025 177 Q CA -2.326 53.545 55.803 0.114 0.000 0.946 177 Q CB 0.563 29.358 28.738 0.095 0.000 1.224 177 Q HN 0.180 nan 8.270 nan 0.000 0.539 178 P HA -0.040 nan 4.420 nan 0.000 0.237 178 P C -0.371 176.779 177.300 -0.249 0.000 1.178 178 P CA 0.930 64.024 63.100 -0.010 0.000 0.766 178 P CB 0.442 32.114 31.700 -0.047 0.000 0.876 179 R N -1.522 118.942 120.500 -0.060 0.000 2.799 179 R HA 0.612 4.951 4.340 -0.001 0.000 0.270 179 R C -0.568 175.863 176.300 0.218 0.000 1.010 179 R CA -1.143 54.898 56.100 -0.099 0.000 0.916 179 R CB 0.777 31.038 30.300 -0.065 0.000 1.228 179 R HN -0.212 nan 8.270 nan 0.000 0.469 180 L N 1.778 123.171 121.223 0.283 0.000 2.466 180 L HA 0.304 4.644 4.340 -0.001 0.000 0.257 180 L C 0.527 177.487 176.870 0.150 0.000 1.189 180 L CA -0.541 54.448 54.840 0.249 0.000 0.813 180 L CB 0.273 42.482 42.059 0.250 0.000 1.118 180 L HN 0.786 nan 8.230 nan 0.000 0.471 181 M N 0.406 120.073 119.600 0.112 0.000 2.206 181 M HA -0.238 4.241 4.480 -0.001 0.000 0.197 181 M C 1.279 177.634 176.300 0.092 0.000 0.375 181 M CA 0.683 56.040 55.300 0.095 0.000 0.410 181 M CB -1.304 31.376 32.600 0.134 0.000 1.204 181 M HN 0.843 nan 8.290 nan 0.000 0.932 182 S N -0.607 115.139 115.700 0.076 0.000 2.423 182 S HA -0.157 4.313 4.470 -0.001 0.000 0.231 182 S C 1.543 176.177 174.600 0.057 0.000 1.014 182 S CA 1.198 59.438 58.200 0.066 0.000 0.965 182 S CB -0.215 63.020 63.200 0.058 0.000 0.785 182 S HN 0.799 nan 8.310 nan 0.000 0.495 183 R N 2.007 122.530 120.500 0.040 0.000 2.073 183 R HA 0.055 4.394 4.340 -0.001 0.000 0.234 183 R C 1.136 177.463 176.300 0.046 0.000 1.134 183 R CA 1.495 57.609 56.100 0.022 0.000 0.952 183 R CB -0.289 29.998 30.300 -0.021 0.000 0.850 183 R HN 0.478 nan 8.270 nan 0.000 0.433 184 A N -0.783 122.083 122.820 0.076 0.000 2.709 184 A HA 0.589 4.908 4.320 -0.001 0.000 0.241 184 A C -0.839 176.908 177.584 0.271 0.000 0.879 184 A CA -0.040 52.091 52.037 0.156 0.000 1.120 184 A CB 0.770 19.838 19.000 0.113 0.000 1.226 184 A HN 0.336 nan 8.150 nan 0.000 0.468 185 A N 0.615 123.554 122.820 0.200 0.000 2.449 185 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 185 A C -3.264 174.409 177.584 0.148 0.000 1.048 185 A CA -1.664 50.494 52.037 0.202 0.000 0.708 185 A CB 1.025 20.152 19.000 0.212 0.000 1.274 185 A HN 0.103 nan 8.150 nan 0.000 0.410 186 P HA 0.251 nan 4.420 nan 0.000 0.268 186 P C 0.998 178.365 177.300 0.111 0.000 1.205 186 P CA 0.500 63.669 63.100 0.115 0.000 0.771 186 P CB 0.931 32.701 31.700 0.116 0.000 0.858 187 A N 2.901 125.770 122.820 0.083 0.000 1.948 187 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 187 A C 2.024 179.656 177.584 0.079 0.000 1.177 187 A CA 2.348 54.426 52.037 0.068 0.000 0.636 187 A CB -1.842 17.181 19.000 0.039 0.000 0.815 187 A HN 0.548 nan 8.150 nan 0.000 0.449 188 T N -0.018 114.582 114.554 0.077 0.000 2.720 188 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 188 T C 1.829 176.617 174.700 0.147 0.000 1.037 188 T CA 1.571 63.712 62.100 0.068 0.000 1.144 188 T CB -0.376 68.507 68.868 0.026 0.000 0.864 188 T HN 0.376 nan 8.240 nan 0.000 0.444 189 L N 1.499 122.846 121.223 0.207 0.000 1.994 189 L HA 0.095 4.434 4.340 -0.001 0.000 0.208 189 L C 2.633 179.686 176.870 0.304 0.000 1.071 189 L CA 2.028 57.058 54.840 0.316 0.000 0.745 189 L CB -1.114 41.101 42.059 0.259 0.000 0.892 189 L HN 0.211 nan 8.230 nan 0.000 0.431 190 A N -0.778 122.169 122.820 0.211 0.000 1.940 190 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 190 A C 1.997 179.682 177.584 0.168 0.000 1.176 190 A CA 1.958 54.106 52.037 0.184 0.000 0.631 190 A CB -0.902 18.176 19.000 0.131 0.000 0.814 190 A HN 0.568 nan 8.150 nan 0.000 0.446 191 D N -1.192 119.290 120.400 0.138 0.000 2.117 191 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 191 D C 1.607 178.008 176.300 0.169 0.000 0.987 191 D CA 1.250 55.310 54.000 0.100 0.000 0.829 191 D CB -0.448 40.391 40.800 0.066 0.000 0.961 191 D HN 0.473 nan 8.370 nan 0.000 0.460 192 F N 1.357 121.367 119.950 0.101 0.000 2.134 192 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 192 F C 2.168 178.095 175.800 0.212 0.000 1.097 192 F CA 0.933 59.017 58.000 0.139 0.000 1.264 192 F CB -0.319 38.782 39.000 0.168 0.000 1.001 192 F HN -0.220 nan 8.300 nan 0.000 0.479 193 V N 0.602 120.643 119.914 0.213 0.000 2.407 193 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 193 V C 2.746 178.991 176.094 0.251 0.000 1.055 193 V CA 1.748 64.164 62.300 0.193 0.000 1.049 193 V CB -1.571 30.434 31.823 0.304 0.000 0.662 193 V HN 0.499 nan 8.190 nan 0.000 0.455 194 A N -0.088 122.866 122.820 0.224 0.000 1.877 194 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 194 A C 2.380 180.050 177.584 0.144 0.000 1.186 194 A CA 1.825 54.016 52.037 0.256 0.000 0.620 194 A CB -0.512 18.651 19.000 0.273 0.000 0.822 194 A HN 0.495 nan 8.150 nan 0.000 0.443 195 R N -2.180 118.337 120.500 0.028 0.000 2.091 195 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 195 R C 2.163 178.393 176.300 -0.117 0.000 1.136 195 R CA 1.772 57.845 56.100 -0.045 0.000 0.959 195 R CB -0.567 29.691 30.300 -0.071 0.000 0.856 195 R HN 0.729 nan 8.270 nan 0.000 0.437 196 Y N 0.982 121.069 120.300 -0.355 0.000 2.114 196 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 196 Y C 2.395 178.152 175.900 -0.237 0.000 1.143 196 Y CA 1.681 59.555 58.100 -0.377 0.000 1.135 196 Y CB -0.321 37.816 38.460 -0.538 0.000 0.980 196 Y HN 0.119 nan 8.280 nan 0.000 0.499 197 H N -0.509 118.515 119.070 -0.076 0.000 2.357 197 H HA -0.074 4.482 4.556 -0.001 0.000 0.301 197 H C 2.349 177.589 175.328 -0.146 0.000 1.082 197 H CA 1.210 57.187 56.048 -0.119 0.000 1.342 197 H CB -0.594 29.192 29.762 0.041 0.000 1.389 197 H HN 0.522 nan 8.280 nan 0.000 0.511 198 A N 1.345 124.184 122.820 0.031 0.000 1.908 198 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 198 A C 2.670 180.210 177.584 -0.073 0.000 1.181 198 A CA 1.801 53.837 52.037 -0.002 0.000 0.627 198 A CB -0.797 18.223 19.000 0.034 0.000 0.818 198 A HN 0.438 nan 8.150 nan 0.000 0.445 199 A N -1.556 121.178 122.820 -0.145 0.000 2.067 199 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 199 A C 1.839 179.299 177.584 -0.207 0.000 1.158 199 A CA 1.360 53.299 52.037 -0.164 0.000 0.661 199 A CB -0.233 18.658 19.000 -0.181 0.000 0.801 199 A HN 0.468 nan 8.150 nan 0.000 0.452 200 Q N -1.338 118.285 119.800 -0.295 0.000 2.320 200 Q HA 0.211 4.551 4.340 -0.001 0.000 0.201 200 Q C 1.117 177.048 176.000 -0.115 0.000 0.910 200 Q CA 0.699 56.347 55.803 -0.258 0.000 0.946 200 Q CB 0.235 28.724 28.738 -0.415 0.000 1.062 200 Q HN 0.939 nan 8.270 nan 0.000 0.503 201 G N -0.008 108.747 108.800 -0.074 0.000 2.176 201 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.232 201 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.232 201 G C 0.202 175.102 174.900 0.001 0.000 0.986 201 G CA 0.128 45.215 45.100 -0.022 0.000 0.643 201 G HN 0.222 nan 8.290 nan 0.000 0.522 202 V N 1.587 121.503 119.914 0.004 0.000 2.521 202 V HA 0.361 4.480 4.120 -0.001 0.000 0.286 202 V C 0.535 176.623 176.094 -0.010 0.000 1.034 202 V CA 0.155 62.462 62.300 0.012 0.000 1.045 202 V CB 1.596 33.443 31.823 0.041 0.000 0.974 202 V HN 0.357 nan 8.190 nan 0.000 0.480 203 D N 5.519 125.904 120.400 -0.026 0.000 2.422 203 D HA 0.260 4.900 4.640 -0.001 0.000 0.227 203 D C -0.276 175.969 176.300 -0.090 0.000 1.190 203 D CA -0.115 53.860 54.000 -0.042 0.000 0.905 203 D CB 0.255 41.033 40.800 -0.037 0.000 1.034 203 D HN 0.417 nan 8.370 nan 0.000 0.507 204 L N 4.410 125.566 121.223 -0.112 0.000 2.305 204 L HA 0.420 4.760 4.340 -0.001 0.000 0.281 204 L C 0.662 177.353 176.870 -0.299 0.000 1.085 204 L CA -0.619 54.056 54.840 -0.274 0.000 0.813 204 L CB 0.830 42.715 42.059 -0.290 0.000 1.157 204 L HN 0.065 nan 8.230 nan 0.000 0.436 205 R N 4.334 124.597 120.500 -0.394 0.000 2.371 205 R HA 0.422 4.762 4.340 -0.001 0.000 0.312 205 R C -1.029 175.074 176.300 -0.327 0.000 0.980 205 R CA -0.435 55.517 56.100 -0.247 0.000 0.867 205 R CB 0.859 31.080 30.300 -0.133 0.000 1.163 205 R HN 0.316 nan 8.270 nan 0.000 0.492 206 F N 0.805 120.755 119.950 -0.001 0.000 2.377 206 F HA 0.177 4.703 4.527 -0.001 0.000 0.328 206 F C 1.173 176.974 175.800 0.002 0.000 1.094 206 F CA -0.366 57.635 58.000 0.002 0.000 1.093 206 F CB 0.856 39.861 39.000 0.007 0.000 1.214 206 F HN 0.513 nan 8.300 nan 0.000 0.518 207 E N 0.588 120.917 120.200 0.215 0.000 2.360 207 E HA -0.231 4.119 4.350 -0.001 0.000 0.238 207 E C -0.674 175.965 176.600 0.064 0.000 1.186 207 E CA 0.115 56.584 56.400 0.115 0.000 0.719 207 E CB -0.837 28.923 29.700 0.101 0.000 1.236 207 E HN 0.299 nan 8.360 nan 0.000 0.386 208 R N -0.182 120.341 120.500 0.039 0.000 2.807 208 R HA 0.643 4.983 4.340 -0.001 0.000 0.276 208 R C -0.362 175.937 176.300 -0.002 0.000 0.979 208 R CA -0.841 55.264 56.100 0.009 0.000 0.928 208 R CB 2.180 32.472 30.300 -0.013 0.000 1.191 208 R HN -0.031 nan 8.270 nan 0.000 0.471 209 S N -0.124 115.573 115.700 -0.005 0.000 2.570 209 S HA 0.460 4.930 4.470 -0.001 0.000 0.286 209 S C -0.658 173.933 174.600 -0.014 0.000 1.099 209 S CA -0.724 57.471 58.200 -0.009 0.000 0.913 209 S CB 2.517 65.716 63.200 -0.002 0.000 1.085 209 S HN 0.225 nan 8.310 nan 0.000 0.480 210 V N 2.796 122.699 119.914 -0.018 0.000 2.488 210 V HA 0.237 4.357 4.120 -0.001 0.000 0.277 210 V C 1.460 177.544 176.094 -0.015 0.000 1.046 210 V CA 0.176 62.464 62.300 -0.020 0.000 0.986 210 V CB 0.858 32.666 31.823 -0.025 0.000 0.989 210 V HN 1.169 nan 8.190 nan 0.000 0.475 211 T N 0.719 115.264 114.554 -0.014 0.000 3.014 211 T HA 0.529 4.878 4.350 -0.001 0.000 0.250 211 T C 0.709 175.401 174.700 -0.013 0.000 1.060 211 T CA 0.469 62.562 62.100 -0.012 0.000 1.040 211 T CB 0.604 69.467 68.868 -0.009 0.000 0.971 211 T HN 1.155 nan 8.240 nan 0.000 0.497 212 G N 0.664 109.454 108.800 -0.016 0.000 2.336 212 G HA2 0.464 4.424 3.960 -0.001 0.000 0.286 212 G HA3 0.464 4.424 3.960 -0.001 0.000 0.286 212 G C -1.550 173.338 174.900 -0.020 0.000 1.269 212 G CA -0.241 44.849 45.100 -0.017 0.000 0.873 212 G HN 1.072 nan 8.290 nan 0.000 0.494 213 S N -1.958 113.730 115.700 -0.020 0.000 2.547 213 S HA 0.782 5.251 4.470 -0.001 0.000 0.270 213 S C -1.542 173.046 174.600 -0.019 0.000 1.150 213 S CA -0.527 57.660 58.200 -0.022 0.000 0.850 213 S CB 1.882 65.066 63.200 -0.028 0.000 1.118 213 S HN 1.689 nan 8.310 nan 0.000 0.461 214 V N 1.528 121.431 119.914 -0.018 0.000 2.733 214 V HA 0.510 4.630 4.120 -0.001 0.000 0.306 214 V C -0.514 175.571 176.094 -0.015 0.000 1.084 214 V CA -0.445 61.846 62.300 -0.015 0.000 0.905 214 V CB 1.475 33.290 31.823 -0.013 0.000 1.010 214 V HN 1.208 nan 8.190 nan 0.000 0.424 215 D N 3.688 124.079 120.400 -0.014 0.000 2.704 215 D HA -0.160 4.479 4.640 -0.001 0.000 0.232 215 D C 1.233 177.525 176.300 -0.014 0.000 1.183 215 D CA 2.337 56.329 54.000 -0.013 0.000 0.647 215 D CB -0.966 39.828 40.800 -0.011 0.000 1.013 215 D HN 1.711 nan 8.370 nan 0.000 0.415 216 G N -1.695 107.094 108.800 -0.018 0.000 2.143 216 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.249 216 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.249 216 G C 0.241 175.129 174.900 -0.020 0.000 0.981 216 G CA 0.221 45.310 45.100 -0.020 0.000 0.665 216 G HN 0.895 nan 8.290 nan 0.000 0.528 217 V N 0.443 120.345 119.914 -0.021 0.000 2.588 217 V HA 0.657 4.776 4.120 -0.001 0.000 0.304 217 V C 0.470 176.550 176.094 -0.023 0.000 1.042 217 V CA -0.961 61.326 62.300 -0.021 0.000 0.877 217 V CB 2.065 33.877 31.823 -0.018 0.000 0.996 217 V HN 0.248 nan 8.190 nan 0.000 0.425 218 V N 5.784 125.683 119.914 -0.026 0.000 2.509 218 V HA 0.456 4.575 4.120 -0.001 0.000 0.284 218 V C -0.019 176.061 176.094 -0.024 0.000 1.047 218 V CA -0.424 61.860 62.300 -0.027 0.000 0.952 218 V CB 1.518 33.322 31.823 -0.032 0.000 0.988 218 V HN 0.612 nan 8.190 nan 0.000 0.469 219 L N 5.196 126.406 121.223 -0.022 0.000 2.325 219 L HA 0.624 4.964 4.340 -0.001 0.000 0.278 219 L C -0.819 176.040 176.870 -0.018 0.000 1.023 219 L CA -0.600 54.229 54.840 -0.018 0.000 0.811 219 L CB 1.513 43.562 42.059 -0.015 0.000 1.249 219 L HN 0.379 nan 8.230 nan 0.000 0.431 220 L N 0.830 122.043 121.223 -0.016 0.000 2.303 220 L HA 0.353 4.693 4.340 -0.001 0.000 0.266 220 L C 0.691 177.555 176.870 -0.010 0.000 1.011 220 L CA -0.417 54.413 54.840 -0.015 0.000 0.818 220 L CB 1.068 43.117 42.059 -0.017 0.000 1.326 220 L HN 0.573 nan 8.230 nan 0.000 0.435 221 D N -1.127 119.269 120.400 -0.007 0.000 2.363 221 D HA -0.123 4.517 4.640 -0.001 0.000 0.226 221 D C 0.528 176.828 176.300 -0.000 0.000 1.020 221 D CA 0.366 54.364 54.000 -0.003 0.000 0.892 221 D CB -0.339 40.461 40.800 -0.000 0.000 0.900 221 D HN 0.620 nan 8.370 nan 0.000 0.531 222 D N -0.858 119.542 120.400 -0.001 0.000 2.342 222 D HA 0.173 4.812 4.640 -0.001 0.000 0.221 222 D C 1.578 177.877 176.300 -0.001 0.000 1.101 222 D CA 0.167 54.167 54.000 0.001 0.000 0.837 222 D CB -0.418 40.385 40.800 0.004 0.000 0.938 222 D HN 0.230 nan 8.370 nan 0.000 0.508 223 G N 0.240 109.038 108.800 -0.004 0.000 2.143 223 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.248 223 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.248 223 G C 0.453 175.349 174.900 -0.007 0.000 0.991 223 G CA 0.781 45.878 45.100 -0.005 0.000 0.689 223 G HN 0.805 nan 8.290 nan 0.000 0.522 224 T N -2.918 111.631 114.554 -0.009 0.000 2.870 224 T HA 0.850 5.199 4.350 -0.001 0.000 0.277 224 T C 0.032 174.723 174.700 -0.015 0.000 1.000 224 T CA -0.734 61.359 62.100 -0.011 0.000 0.982 224 T CB 2.097 70.958 68.868 -0.012 0.000 1.249 224 T HN 0.464 nan 8.240 nan 0.000 0.589 225 R N -0.551 119.939 120.500 -0.017 0.000 2.725 225 R HA 0.694 5.033 4.340 -0.001 0.000 0.277 225 R C -1.171 175.115 176.300 -0.023 0.000 0.987 225 R CA -0.782 55.306 56.100 -0.020 0.000 0.901 225 R CB 2.096 32.385 30.300 -0.018 0.000 1.207 225 R HN 0.602 nan 8.270 nan 0.000 0.463 226 I N 1.809 122.364 120.570 -0.026 0.000 2.468 226 I HA 0.364 4.534 4.170 -0.001 0.000 0.284 226 I C -0.236 175.865 176.117 -0.026 0.000 1.038 226 I CA -0.831 60.452 61.300 -0.028 0.000 1.083 226 I CB 2.038 40.019 38.000 -0.033 0.000 1.223 226 I HN 0.663 nan 8.210 nan 0.000 0.443 227 A N 5.193 127.998 122.820 -0.025 0.000 2.401 227 A HA 0.849 5.169 4.320 -0.001 0.000 0.259 227 A C -0.016 177.557 177.584 -0.018 0.000 1.103 227 A CA -0.041 51.983 52.037 -0.021 0.000 0.789 227 A CB 0.576 19.564 19.000 -0.021 0.000 1.035 227 A HN 0.877 nan 8.150 nan 0.000 0.491 228 A N 1.568 124.379 122.820 -0.015 0.000 2.594 228 A HA 0.629 4.949 4.320 -0.001 0.000 0.295 228 A C -0.113 177.467 177.584 -0.007 0.000 1.071 228 A CA -0.520 51.511 52.037 -0.009 0.000 0.685 228 A CB 0.915 19.905 19.000 -0.016 0.000 1.285 228 A HN 0.648 nan 8.150 nan 0.000 0.405 229 D N 0.169 120.571 120.400 0.004 0.000 2.305 229 D HA 0.121 4.760 4.640 -0.001 0.000 0.206 229 D C 0.229 176.527 176.300 -0.003 0.000 0.974 229 D CA 1.329 55.332 54.000 0.005 0.000 0.871 229 D CB 0.392 41.204 40.800 0.019 0.000 0.947 229 D HN 0.541 nan 8.370 nan 0.000 0.516 230 M N 0.608 120.202 119.600 -0.009 0.000 2.413 230 M HA 0.253 4.732 4.480 -0.001 0.000 0.287 230 M C -2.236 174.040 176.300 -0.041 0.000 1.186 230 M CA -0.516 54.768 55.300 -0.027 0.000 0.927 230 M CB 2.774 35.397 32.600 0.039 0.000 1.715 230 M HN -0.418 nan 8.290 nan 0.000 0.478 231 V N 4.114 123.973 119.914 -0.092 0.000 2.495 231 V HA 0.612 4.731 4.120 -0.001 0.000 0.298 231 V C -0.784 175.275 176.094 -0.059 0.000 1.031 231 V CA -0.709 61.548 62.300 -0.071 0.000 0.871 231 V CB 1.803 33.576 31.823 -0.082 0.000 0.988 231 V HN 0.654 nan 8.190 nan 0.000 0.432 232 V N 5.393 125.299 119.914 -0.013 0.000 2.384 232 V HA 0.410 4.530 4.120 -0.001 0.000 0.287 232 V C -0.129 175.963 176.094 -0.004 0.000 1.020 232 V CA -0.621 61.690 62.300 0.019 0.000 0.850 232 V CB 1.934 33.785 31.823 0.046 0.000 0.987 232 V HN 0.615 nan 8.190 nan 0.000 0.436 233 V N 4.004 123.917 119.914 -0.001 0.000 2.406 233 V HA 0.664 4.784 4.120 -0.001 0.000 0.272 233 V C 0.874 176.963 176.094 -0.009 0.000 1.043 233 V CA 0.105 62.398 62.300 -0.012 0.000 0.915 233 V CB 1.429 33.244 31.823 -0.014 0.000 0.988 233 V HN 1.004 nan 8.190 nan 0.000 0.466 234 G N 4.778 113.566 108.800 -0.019 0.000 4.332 234 G HA2 0.431 4.390 3.960 -0.001 0.000 0.321 234 G HA3 0.431 4.390 3.960 -0.001 0.000 0.321 234 G C 0.123 175.005 174.900 -0.029 0.000 1.439 234 G CA -0.238 44.848 45.100 -0.024 0.000 0.900 234 G HN 0.860 nan 8.290 nan 0.000 0.515 235 I N -0.851 119.704 120.570 -0.025 0.000 3.914 235 I HA 0.615 4.784 4.170 -0.001 0.000 0.333 235 I C 0.714 176.816 176.117 -0.025 0.000 1.449 235 I CA -0.115 61.172 61.300 -0.023 0.000 1.135 235 I CB 0.170 38.159 38.000 -0.018 0.000 1.073 235 I HN 0.481 nan 8.210 nan 0.000 0.401 236 G N 1.273 110.054 108.800 -0.033 0.000 2.498 236 G HA2 0.099 4.059 3.960 -0.001 0.000 0.651 236 G HA3 0.099 4.059 3.960 -0.001 0.000 0.651 236 G C -0.810 174.068 174.900 -0.037 0.000 1.284 236 G CA -0.440 44.636 45.100 -0.039 0.000 0.950 236 G HN 0.834 nan 8.290 nan 0.000 0.511 237 V N -2.398 117.491 119.914 -0.042 0.000 3.126 237 V HA 0.941 5.061 4.120 -0.001 0.000 0.314 237 V C 0.028 176.099 176.094 -0.039 0.000 1.138 237 V CA -1.301 60.975 62.300 -0.040 0.000 1.034 237 V CB 1.992 33.785 31.823 -0.050 0.000 1.075 237 V HN 1.119 nan 8.190 nan 0.000 0.442 238 L N 2.053 123.254 121.223 -0.037 0.000 2.385 238 L HA 0.803 5.142 4.340 -0.001 0.000 0.273 238 L C 0.566 177.409 176.870 -0.045 0.000 0.990 238 L CA -0.870 53.947 54.840 -0.038 0.000 0.821 238 L CB 1.872 43.913 42.059 -0.029 0.000 1.279 238 L HN 1.045 nan 8.230 nan 0.000 0.412 239 A N 2.451 125.238 122.820 -0.055 0.000 2.540 239 A HA 0.066 4.385 4.320 -0.001 0.000 0.239 239 A C 0.210 177.764 177.584 -0.050 0.000 1.061 239 A CA 0.082 52.081 52.037 -0.063 0.000 0.758 239 A CB -0.337 18.613 19.000 -0.084 0.000 0.991 239 A HN 0.880 nan 8.150 nan 0.000 0.502 240 N N 1.436 120.107 118.700 -0.047 0.000 3.178 240 N HA 0.150 4.889 4.740 -0.001 0.000 0.300 240 N C -0.507 174.985 175.510 -0.030 0.000 1.242 240 N CA 0.020 53.049 53.050 -0.034 0.000 1.192 240 N CB 0.335 38.803 38.487 -0.032 0.000 1.463 240 N HN 0.686 nan 8.380 nan 0.000 0.539 241 D N -0.372 120.010 120.400 -0.030 0.000 2.463 241 D HA 0.098 4.738 4.640 -0.001 0.000 0.224 241 D C 1.284 177.583 176.300 -0.002 0.000 1.174 241 D CA -0.414 53.573 54.000 -0.021 0.000 0.829 241 D CB 0.035 40.806 40.800 -0.047 0.000 0.993 241 D HN 0.212 nan 8.370 nan 0.000 0.497 242 A N 0.478 123.297 122.820 -0.001 0.000 1.902 242 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 242 A C 1.963 179.548 177.584 0.003 0.000 1.181 242 A CA 0.948 52.983 52.037 -0.003 0.000 0.623 242 A CB -0.566 18.432 19.000 -0.005 0.000 0.818 242 A HN 0.274 nan 8.150 nan 0.000 0.443 243 L N -0.501 120.746 121.223 0.041 0.000 2.093 243 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 243 L C 2.976 179.876 176.870 0.050 0.000 1.085 243 L CA 1.781 56.661 54.840 0.067 0.000 0.755 243 L CB -0.739 41.454 42.059 0.224 0.000 0.904 243 L HN 0.389 nan 8.230 nan 0.000 0.435 244 A N -0.541 122.369 122.820 0.150 0.000 1.877 244 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 244 A C 2.445 180.039 177.584 0.016 0.000 1.186 244 A CA 1.562 53.689 52.037 0.149 0.000 0.620 244 A CB -0.446 18.626 19.000 0.120 0.000 0.822 244 A HN 0.342 nan 8.150 nan 0.000 0.443 245 R N -0.503 119.995 120.500 -0.004 0.000 2.083 245 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 245 R C 2.454 178.720 176.300 -0.057 0.000 1.137 245 R CA 1.332 57.419 56.100 -0.020 0.000 0.951 245 R CB -0.517 29.773 30.300 -0.017 0.000 0.851 245 R HN 0.505 nan 8.270 nan 0.000 0.434 246 A N 1.001 123.769 122.820 -0.088 0.000 1.972 246 A HA -0.048 4.272 4.320 -0.001 0.000 0.219 246 A C 2.175 179.646 177.584 -0.189 0.000 1.169 246 A CA 1.610 53.574 52.037 -0.121 0.000 0.635 246 A CB -0.364 18.564 19.000 -0.120 0.000 0.810 246 A HN 0.404 nan 8.150 nan 0.000 0.446 247 A N -2.119 120.524 122.820 -0.294 0.000 2.218 247 A HA 0.429 4.749 4.320 -0.001 0.000 0.209 247 A C 1.668 179.139 177.584 -0.188 0.000 1.168 247 A CA 1.172 52.963 52.037 -0.410 0.000 0.804 247 A CB -0.633 17.759 19.000 -1.013 0.000 0.834 247 A HN 1.839 nan 8.150 nan 0.000 0.482 248 G N -1.624 107.115 108.800 -0.101 0.000 2.134 248 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.209 248 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.209 248 G C -0.172 174.730 174.900 0.004 0.000 0.993 248 G CA 0.041 45.118 45.100 -0.040 0.000 0.669 248 G HN 0.294 nan 8.290 nan 0.000 0.519 249 L N 1.114 122.354 121.223 0.030 0.000 2.436 249 L HA 0.697 5.036 4.340 -0.001 0.000 0.265 249 L C 1.257 178.176 176.870 0.082 0.000 1.168 249 L CA 0.413 55.295 54.840 0.070 0.000 0.815 249 L CB 0.848 42.971 42.059 0.107 0.000 1.109 249 L HN 0.537 nan 8.230 nan 0.000 0.462 250 A N 1.970 124.862 122.820 0.120 0.000 2.444 250 A HA 0.446 4.765 4.320 -0.001 0.000 0.273 250 A C -0.430 177.343 177.584 0.314 0.000 1.136 250 A CA -0.135 52.028 52.037 0.211 0.000 0.799 250 A CB -0.598 18.522 19.000 0.200 0.000 1.081 250 A HN 0.717 nan 8.150 nan 0.000 0.509 251 C N 1.650 121.084 119.300 0.224 0.000 2.888 251 C HA 0.770 5.230 4.460 -0.001 0.000 0.308 251 C C -0.680 174.324 174.990 0.023 0.000 1.213 251 C CA -0.512 58.509 59.018 0.004 0.000 1.461 251 C CB 2.124 29.851 27.740 -0.022 0.000 1.934 251 C HN 0.910 nan 8.230 nan 0.000 0.474 252 D N 1.593 121.874 120.400 -0.199 0.000 2.445 252 D HA 0.230 4.869 4.640 -0.001 0.000 0.236 252 D C -0.498 175.720 176.300 -0.137 0.000 1.315 252 D CA 0.145 54.109 54.000 -0.059 0.000 0.924 252 D CB 0.303 41.187 40.800 0.141 0.000 1.447 252 D HN 0.719 nan 8.370 nan 0.000 0.532 253 D N 2.585 122.929 120.400 -0.094 0.000 2.735 253 D HA -0.008 4.631 4.640 -0.001 0.000 0.235 253 D C -0.049 176.161 176.300 -0.151 0.000 1.175 253 D CA 2.311 56.255 54.000 -0.093 0.000 0.683 253 D CB -1.020 39.746 40.800 -0.057 0.000 1.008 253 D HN 0.871 nan 8.370 nan 0.000 0.416 254 G N -0.202 108.482 108.800 -0.193 0.000 2.351 254 G HA2 0.185 4.145 3.960 -0.001 0.000 0.472 254 G HA3 0.185 4.145 3.960 -0.001 0.000 0.472 254 G C -0.396 174.292 174.900 -0.354 0.000 1.570 254 G CA -0.516 44.442 45.100 -0.237 0.000 0.921 254 G HN 0.405 nan 8.290 nan 0.000 0.674 255 I N 1.504 121.934 120.570 -0.234 0.000 2.352 255 I HA 0.325 4.494 4.170 -0.001 0.000 0.290 255 I C 0.273 176.294 176.117 -0.161 0.000 1.036 255 I CA -0.442 60.755 61.300 -0.171 0.000 1.336 255 I CB 0.585 38.548 38.000 -0.062 0.000 1.407 255 I HN 0.336 nan 8.210 nan 0.000 0.497 256 F N 6.458 126.448 119.950 0.068 0.000 2.495 256 F HA 0.309 4.835 4.527 -0.001 0.000 0.365 256 F C 0.529 176.407 175.800 0.129 0.000 1.090 256 F CA -0.232 57.850 58.000 0.137 0.000 1.235 256 F CB 0.744 39.773 39.000 0.048 0.000 1.119 256 F HN 0.215 nan 8.300 nan 0.000 0.562 257 V N 0.020 120.166 119.914 0.385 0.000 3.007 257 V HA 0.633 4.752 4.120 -0.001 0.000 0.311 257 V C -0.853 175.409 176.094 0.280 0.000 1.120 257 V CA -1.161 61.278 62.300 0.230 0.000 0.980 257 V CB 1.827 33.711 31.823 0.102 0.000 1.033 257 V HN 0.645 nan 8.190 nan 0.000 0.429 258 D N 2.992 123.493 120.400 0.168 0.000 2.478 258 D HA 0.580 5.219 4.640 -0.001 0.000 0.274 258 D C 1.102 177.401 176.300 -0.002 0.000 1.234 258 D CA -0.010 54.051 54.000 0.102 0.000 1.069 258 D CB 0.924 41.739 40.800 0.026 0.000 1.113 258 D HN 0.842 nan 8.370 nan 0.000 0.571 259 A N -1.547 121.174 122.820 -0.165 0.000 2.206 259 A HA -0.012 4.307 4.320 -0.001 0.000 0.211 259 A C 1.238 178.744 177.584 -0.130 0.000 1.158 259 A CA 0.444 52.383 52.037 -0.163 0.000 0.761 259 A CB -1.015 17.823 19.000 -0.270 0.000 0.801 259 A HN 0.590 nan 8.150 nan 0.000 0.473 260 Y N -1.426 118.883 120.300 0.015 0.000 2.457 260 Y HA 0.327 4.876 4.550 -0.001 0.000 0.263 260 Y C 1.824 177.855 175.900 0.218 0.000 1.164 260 Y CA 0.080 58.193 58.100 0.021 0.000 1.274 260 Y CB 0.411 38.857 38.460 -0.023 0.000 1.097 260 Y HN 0.430 nan 8.280 nan 0.000 0.523 261 G N 1.327 110.282 108.800 0.259 0.000 2.159 261 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.256 261 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.256 261 G C 0.134 175.126 174.900 0.153 0.000 0.977 261 G CA -0.409 44.831 45.100 0.233 0.000 0.652 261 G HN 0.328 nan 8.290 nan 0.000 0.531 262 R N 1.306 121.819 120.500 0.021 0.000 2.389 262 R HA 0.466 4.806 4.340 -0.001 0.000 0.295 262 R C 1.333 177.558 176.300 -0.126 0.000 1.075 262 R CA 0.505 56.426 56.100 -0.299 0.000 1.005 262 R CB 0.556 30.745 30.300 -0.184 0.000 0.987 262 R HN 0.442 nan 8.270 nan 0.000 0.452 263 T N -1.895 112.556 114.554 -0.171 0.000 2.814 263 T HA 0.038 4.388 4.350 -0.001 0.000 0.284 263 T C 1.529 176.213 174.700 -0.026 0.000 0.998 263 T CA -0.251 61.824 62.100 -0.042 0.000 0.935 263 T CB 1.018 69.868 68.868 -0.030 0.000 1.167 263 T HN 0.666 nan 8.240 nan 0.000 0.545 264 T N -2.625 111.943 114.554 0.023 0.000 3.160 264 T HA 0.083 4.432 4.350 -0.001 0.000 0.257 264 T C 0.856 175.564 174.700 0.013 0.000 1.147 264 T CA -0.257 61.853 62.100 0.016 0.000 1.064 264 T CB -1.038 67.846 68.868 0.026 0.000 0.949 264 T HN 0.685 nan 8.240 nan 0.000 0.526 265 C N 3.463 122.773 119.300 0.017 0.000 2.273 265 C HA 0.567 5.026 4.460 -0.001 0.000 0.328 265 C C -2.550 172.448 174.990 0.013 0.000 1.275 265 C CA -2.673 56.368 59.018 0.039 0.000 1.704 265 C CB 0.095 27.896 27.740 0.102 0.000 2.326 265 C HN 0.276 nan 8.230 nan 0.000 0.517 266 P HA 0.130 nan 4.420 nan 0.000 0.264 266 P C 0.081 177.447 177.300 0.110 0.000 1.183 266 P CA 1.243 64.376 63.100 0.055 0.000 0.763 266 P CB 0.303 32.057 31.700 0.090 0.000 0.807 267 D N -0.610 119.862 120.400 0.120 0.000 3.028 267 D HA -0.121 4.518 4.640 -0.001 0.000 0.207 267 D C -0.494 175.921 176.300 0.193 0.000 1.100 267 D CA 0.819 54.974 54.000 0.259 0.000 0.995 267 D CB -1.508 39.540 40.800 0.414 0.000 1.108 267 D HN 0.141 nan 8.370 nan 0.000 0.421 268 V N 1.102 121.010 119.914 -0.010 0.000 2.448 268 V HA 0.501 4.621 4.120 -0.001 0.000 0.295 268 V C -0.124 175.836 176.094 -0.223 0.000 1.025 268 V CA -0.713 61.518 62.300 -0.115 0.000 0.859 268 V CB 1.474 33.202 31.823 -0.159 0.000 0.988 268 V HN -0.044 nan 8.190 nan 0.000 0.431 269 Y N 2.074 122.268 120.300 -0.177 0.000 2.587 269 Y HA 0.877 5.426 4.550 -0.001 0.000 0.337 269 Y C 0.385 176.158 175.900 -0.210 0.000 1.065 269 Y CA -0.717 57.292 58.100 -0.150 0.000 1.126 269 Y CB 2.159 40.520 38.460 -0.167 0.000 1.279 269 Y HN 0.753 nan 8.280 nan 0.000 0.489 270 A N 1.611 124.417 122.820 -0.023 0.000 2.539 270 A HA 0.924 5.243 4.320 -0.001 0.000 0.296 270 A C -1.936 175.575 177.584 -0.121 0.000 1.073 270 A CA -0.696 51.276 52.037 -0.108 0.000 0.700 270 A CB 1.275 20.224 19.000 -0.085 0.000 1.296 270 A HN 0.669 nan 8.150 nan 0.000 0.405 271 L N 0.791 121.910 121.223 -0.173 0.000 2.424 271 L HA 0.818 5.158 4.340 -0.001 0.000 0.258 271 L C 0.760 177.531 176.870 -0.165 0.000 0.995 271 L CA -0.163 54.566 54.840 -0.185 0.000 0.821 271 L CB 1.835 43.745 42.059 -0.248 0.000 1.383 271 L HN 1.834 nan 8.230 nan 0.000 0.410 272 G N 0.964 109.665 108.800 -0.165 0.000 2.525 272 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.248 272 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.248 272 G C 0.119 174.948 174.900 -0.118 0.000 1.238 272 G CA 0.423 45.434 45.100 -0.148 0.000 0.926 272 G HN 0.701 nan 8.290 nan 0.000 0.574 273 D N -0.485 119.850 120.400 -0.110 0.000 2.265 273 D HA -0.006 4.633 4.640 -0.001 0.000 0.208 273 D C 2.387 178.631 176.300 -0.092 0.000 0.977 273 D CA 1.295 55.238 54.000 -0.095 0.000 0.871 273 D CB -0.097 40.650 40.800 -0.090 0.000 0.925 273 D HN 0.465 nan 8.370 nan 0.000 0.485 274 V N 0.522 120.378 119.914 -0.097 0.000 3.217 274 V HA -0.042 4.078 4.120 -0.001 0.000 0.264 274 V C 0.828 176.859 176.094 -0.104 0.000 1.135 274 V CA 1.238 63.481 62.300 -0.094 0.000 1.142 274 V CB -0.380 31.389 31.823 -0.090 0.000 0.754 274 V HN 0.287 nan 8.190 nan 0.000 0.484 275 T N -0.655 113.838 114.554 -0.100 0.000 2.922 275 T HA 0.463 4.813 4.350 -0.001 0.000 0.285 275 T C -0.218 174.425 174.700 -0.095 0.000 1.005 275 T CA -0.704 61.340 62.100 -0.092 0.000 1.061 275 T CB 1.601 70.428 68.868 -0.068 0.000 1.007 275 T HN 0.396 nan 8.240 nan 0.000 0.502 276 R N 1.929 122.372 120.500 -0.095 0.000 2.343 276 R HA 0.462 4.801 4.340 -0.001 0.000 0.320 276 R C -0.440 175.935 176.300 0.125 0.000 0.956 276 R CA -0.512 55.575 56.100 -0.020 0.000 0.836 276 R CB 0.829 31.008 30.300 -0.203 0.000 1.151 276 R HN 0.960 nan 8.270 nan 0.000 0.450 277 Q N 2.664 122.362 119.800 -0.169 0.000 2.565 277 Q HA 0.360 4.699 4.340 -0.001 0.000 0.294 277 Q C -1.279 174.029 176.000 -1.153 0.000 1.005 277 Q CA -1.252 54.151 55.803 -0.667 0.000 0.771 277 Q CB 1.549 30.139 28.738 -0.248 0.000 1.486 277 Q HN 0.438 nan 8.270 nan 0.000 0.422 278 R N 1.527 121.239 120.500 -1.314 0.000 2.401 278 R HA 0.115 4.454 4.340 -0.001 0.000 0.299 278 R C -0.673 175.435 176.300 -0.320 0.000 1.064 278 R CA -0.201 55.440 56.100 -0.766 0.000 1.000 278 R CB 0.473 30.529 30.300 -0.407 0.000 0.973 278 R HN 0.634 nan 8.270 nan 0.000 0.438 279 N N 5.827 124.417 118.700 -0.184 0.000 2.406 279 N HA 0.107 4.846 4.740 -0.001 0.000 0.251 279 N C -2.054 173.418 175.510 -0.064 0.000 1.069 279 N CA -2.159 50.838 53.050 -0.087 0.000 0.947 279 N CB 1.611 40.080 38.487 -0.030 0.000 1.111 279 N HN 0.415 nan 8.380 nan 0.000 0.497 280 P HA -0.066 nan 4.420 nan 0.000 0.219 280 P C 1.326 178.611 177.300 -0.025 0.000 1.146 280 P CA 0.940 64.005 63.100 -0.058 0.000 0.808 280 P CB 0.431 32.080 31.700 -0.085 0.000 0.779 281 L N -0.876 120.339 121.223 -0.012 0.000 2.095 281 L HA -0.085 4.255 4.340 -0.001 0.000 0.204 281 L C 2.392 179.272 176.870 0.016 0.000 1.080 281 L CA 1.848 56.691 54.840 0.006 0.000 0.759 281 L CB -0.829 41.242 42.059 0.019 0.000 0.914 281 L HN 0.082 nan 8.230 nan 0.000 0.439 282 S N -1.064 114.648 115.700 0.021 0.000 2.478 282 S HA 0.110 4.580 4.470 -0.001 0.000 0.222 282 S C 1.637 176.258 174.600 0.035 0.000 1.008 282 S CA 0.419 58.638 58.200 0.032 0.000 0.928 282 S CB 0.334 63.558 63.200 0.040 0.000 0.781 282 S HN 0.471 nan 8.310 nan 0.000 0.518 283 G N 1.771 110.589 108.800 0.029 0.000 2.153 283 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.252 283 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.252 283 G C 0.011 174.965 174.900 0.091 0.000 0.994 283 G CA 0.208 45.336 45.100 0.046 0.000 0.698 283 G HN 0.536 nan 8.290 nan 0.000 0.521 284 R N -1.085 119.473 120.500 0.096 0.000 2.832 284 R HA 0.690 5.030 4.340 -0.001 0.000 0.271 284 R C -0.354 176.071 176.300 0.209 0.000 0.996 284 R CA -1.361 54.840 56.100 0.169 0.000 0.977 284 R CB 0.479 30.853 30.300 0.124 0.000 1.168 284 R HN 0.025 nan 8.270 nan 0.000 0.482 285 F N 1.178 121.167 119.950 0.066 0.000 2.412 285 F HA 0.258 4.784 4.527 -0.001 0.000 0.348 285 F C 0.670 176.523 175.800 0.088 0.000 1.102 285 F CA 0.374 58.435 58.000 0.101 0.000 1.196 285 F CB 0.761 39.871 39.000 0.184 0.000 1.144 285 F HN 0.305 nan 8.300 nan 0.000 0.541 286 E N 1.250 121.510 120.200 0.100 0.000 2.390 286 E HA 0.324 4.674 4.350 -0.001 0.000 0.277 286 E C -1.211 175.393 176.600 0.007 0.000 0.939 286 E CA -1.241 55.195 56.400 0.059 0.000 0.769 286 E CB 2.280 31.995 29.700 0.025 0.000 1.251 286 E HN 0.385 nan 8.360 nan 0.000 0.450 287 R N 2.195 122.692 120.500 -0.005 0.000 2.216 287 R HA 0.348 4.688 4.340 -0.001 0.000 0.332 287 R C -0.767 175.509 176.300 -0.040 0.000 1.056 287 R CA -0.169 55.907 56.100 -0.039 0.000 0.901 287 R CB 0.290 30.557 30.300 -0.055 0.000 1.039 287 R HN 0.435 nan 8.270 nan 0.000 0.456 288 I N 5.004 125.549 120.570 -0.042 0.000 2.306 288 I HA 0.121 4.291 4.170 -0.001 0.000 0.288 288 I C 0.072 176.154 176.117 -0.057 0.000 1.036 288 I CA -0.101 61.179 61.300 -0.033 0.000 1.221 288 I CB 1.507 39.508 38.000 0.001 0.000 1.385 288 I HN 0.597 nan 8.210 nan 0.000 0.472 289 E N 5.128 125.278 120.200 -0.083 0.000 2.434 289 E HA 0.121 4.470 4.350 -0.001 0.000 0.243 289 E C -0.124 176.401 176.600 -0.126 0.000 1.250 289 E CA -0.291 56.046 56.400 -0.106 0.000 1.568 289 E CB 0.269 29.896 29.700 -0.122 0.000 1.435 289 E HN 0.644 nan 8.360 nan 0.000 0.432 290 T N -3.963 110.534 114.554 -0.094 0.000 2.908 290 T HA 0.159 4.509 4.350 -0.001 0.000 0.290 290 T C 0.358 175.048 174.700 -0.016 0.000 1.034 290 T CA -0.938 61.113 62.100 -0.082 0.000 1.010 290 T CB 1.518 70.342 68.868 -0.074 0.000 1.068 290 T HN 0.379 nan 8.240 nan 0.000 0.481 291 W N 2.039 123.236 121.300 -0.171 0.000 2.335 291 W HA -0.183 4.476 4.660 -0.001 0.000 0.311 291 W C 2.537 179.029 176.519 -0.046 0.000 1.213 291 W CA 2.628 59.940 57.345 -0.055 0.000 1.274 291 W CB -0.353 29.162 29.460 0.092 0.000 1.148 291 W HN 0.881 nan 8.180 nan 0.000 0.498 292 S N -0.343 115.449 115.700 0.152 0.000 2.383 292 S HA -0.272 4.197 4.470 -0.001 0.000 0.227 292 S C 1.654 176.220 174.600 -0.058 0.000 1.026 292 S CA 1.492 59.682 58.200 -0.017 0.000 0.981 292 S CB -1.096 61.831 63.200 -0.455 0.000 0.818 292 S HN 0.511 nan 8.310 nan 0.000 0.472 293 N N 2.489 121.157 118.700 -0.053 0.000 2.084 293 N HA -0.003 4.737 4.740 -0.001 0.000 0.190 293 N C 1.849 177.268 175.510 -0.151 0.000 1.030 293 N CA 1.602 54.646 53.050 -0.011 0.000 0.849 293 N CB -0.766 37.725 38.487 0.006 0.000 1.012 293 N HN 0.490 nan 8.380 nan 0.000 0.423 294 A N 0.282 122.985 122.820 -0.195 0.000 1.883 294 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 294 A C 2.199 179.615 177.584 -0.279 0.000 1.186 294 A CA 1.844 53.738 52.037 -0.237 0.000 0.624 294 A CB -1.014 17.839 19.000 -0.244 0.000 0.822 294 A HN 0.613 nan 8.150 nan 0.000 0.444 295 Q N -0.689 118.879 119.800 -0.387 0.000 2.016 295 Q HA -0.192 4.148 4.340 -0.001 0.000 0.200 295 Q C 1.750 177.639 176.000 -0.186 0.000 0.978 295 Q CA 1.718 57.310 55.803 -0.351 0.000 0.833 295 Q CB -0.159 28.226 28.738 -0.588 0.000 0.895 295 Q HN 0.645 nan 8.270 nan 0.000 0.427 296 N N 0.318 118.948 118.700 -0.117 0.000 2.216 296 N HA -0.158 4.581 4.740 -0.001 0.000 0.183 296 N C 1.570 176.954 175.510 -0.211 0.000 1.017 296 N CA 1.072 54.135 53.050 0.021 0.000 0.861 296 N CB -0.235 38.429 38.487 0.296 0.000 0.986 296 N HN 0.371 nan 8.380 nan 0.000 0.428 297 Q N 0.344 119.776 119.800 -0.612 0.000 2.083 297 Q HA -0.036 4.304 4.340 -0.001 0.000 0.198 297 Q C 1.908 177.671 176.000 -0.395 0.000 0.969 297 Q CA 1.462 56.638 55.803 -1.044 0.000 0.838 297 Q CB -0.247 27.929 28.738 -0.937 0.000 0.900 297 Q HN 0.346 nan 8.270 nan 0.000 0.436 298 G N 1.204 109.873 108.800 -0.218 0.000 2.446 298 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.217 298 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.217 298 G C 1.406 176.353 174.900 0.080 0.000 1.168 298 G CA 0.923 46.017 45.100 -0.009 0.000 0.771 298 G HN 0.351 nan 8.290 nan 0.000 0.551 299 I N 1.365 121.931 120.570 -0.007 0.000 2.179 299 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 299 I C 3.322 179.463 176.117 0.040 0.000 1.088 299 I CA 1.053 62.359 61.300 0.010 0.000 1.357 299 I CB -0.262 37.747 38.000 0.014 0.000 1.051 299 I HN 0.253 nan 8.210 nan 0.000 0.409 300 A N 0.334 123.185 122.820 0.051 0.000 1.902 300 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 300 A C 2.423 180.099 177.584 0.153 0.000 1.181 300 A CA 1.792 53.907 52.037 0.130 0.000 0.623 300 A CB -0.946 18.197 19.000 0.238 0.000 0.818 300 A HN 0.255 nan 8.150 nan 0.000 0.443 301 V N -0.224 119.767 119.914 0.129 0.000 2.358 301 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 301 V C 3.059 179.281 176.094 0.214 0.000 1.047 301 V CA 1.847 64.272 62.300 0.208 0.000 1.035 301 V CB -1.254 30.670 31.823 0.170 0.000 0.658 301 V HN 0.623 nan 8.190 nan 0.000 0.452 302 A N 0.515 123.432 122.820 0.161 0.000 1.883 302 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 302 A C 2.306 179.812 177.584 -0.131 0.000 1.186 302 A CA 2.361 54.275 52.037 -0.206 0.000 0.624 302 A CB -0.597 18.082 19.000 -0.535 0.000 0.822 302 A HN 0.452 nan 8.150 nan 0.000 0.444 303 R N -0.399 120.083 120.500 -0.030 0.000 2.083 303 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 303 R C 2.159 178.474 176.300 0.025 0.000 1.137 303 R CA 2.332 58.431 56.100 -0.001 0.000 0.951 303 R CB -1.038 29.292 30.300 0.051 0.000 0.851 303 R HN 0.784 nan 8.270 nan 0.000 0.434 304 H N -0.235 118.837 119.070 0.002 0.000 2.462 304 H HA 0.005 4.560 4.556 -0.001 0.000 0.292 304 H C 1.809 177.094 175.328 -0.073 0.000 1.049 304 H CA 1.394 57.436 56.048 -0.011 0.000 1.334 304 H CB 0.146 29.948 29.762 0.065 0.000 1.404 304 H HN 0.243 nan 8.280 nan 0.000 0.544 305 L N 0.076 121.227 121.223 -0.120 0.000 2.056 305 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 305 L C 2.698 179.428 176.870 -0.233 0.000 1.078 305 L CA 0.801 55.508 54.840 -0.222 0.000 0.749 305 L CB -0.096 41.813 42.059 -0.250 0.000 0.901 305 L HN 0.115 nan 8.230 nan 0.000 0.433 306 V N -1.399 118.400 119.914 -0.191 0.000 2.488 306 V HA -0.131 3.988 4.120 -0.001 0.000 0.246 306 V C 0.454 176.476 176.094 -0.120 0.000 1.046 306 V CA 1.195 63.414 62.300 -0.134 0.000 1.053 306 V CB -0.270 31.496 31.823 -0.094 0.000 0.679 306 V HN 0.352 nan 8.190 nan 0.000 0.458 307 D N -0.722 119.594 120.400 -0.140 0.000 2.408 307 D HA 0.283 4.923 4.640 -0.001 0.000 0.261 307 D C -2.190 173.979 176.300 -0.218 0.000 1.190 307 D CA -2.250 51.675 54.000 -0.124 0.000 0.910 307 D CB 1.807 42.574 40.800 -0.055 0.000 1.097 307 D HN 0.056 nan 8.370 nan 0.000 0.522 308 P HA -0.093 nan 4.420 nan 0.000 0.226 308 P C 1.204 178.396 177.300 -0.179 0.000 1.146 308 P CA 1.098 63.900 63.100 -0.497 0.000 0.773 308 P CB 0.137 31.640 31.700 -0.329 0.000 0.772 309 T N -4.157 110.358 114.554 -0.065 0.000 3.067 309 T HA 0.237 4.587 4.350 -0.001 0.000 0.261 309 T C 0.973 175.728 174.700 0.092 0.000 1.110 309 T CA 0.031 62.147 62.100 0.025 0.000 1.113 309 T CB -0.619 68.256 68.868 0.013 0.000 0.917 309 T HN 0.015 nan 8.240 nan 0.000 0.499 310 A N 3.579 126.466 122.820 0.111 0.000 2.483 310 A HA 0.524 4.843 4.320 -0.001 0.000 0.238 310 A C -1.800 175.946 177.584 0.271 0.000 1.070 310 A CA -1.319 50.817 52.037 0.166 0.000 0.770 310 A CB -0.140 18.950 19.000 0.151 0.000 1.008 310 A HN 0.405 nan 8.150 nan 0.000 0.497 311 P HA 0.256 nan 4.420 nan 0.000 0.274 311 P C 0.515 177.959 177.300 0.240 0.000 1.246 311 P CA 0.108 63.332 63.100 0.207 0.000 0.795 311 P CB 0.471 32.246 31.700 0.126 0.000 1.006 312 G N -0.176 108.750 108.800 0.211 0.000 2.653 312 G HA2 0.116 4.075 3.960 -0.001 0.000 0.265 312 G HA3 0.116 4.075 3.960 -0.001 0.000 0.265 312 G C -0.907 174.080 174.900 0.144 0.000 1.237 312 G CA -0.648 44.528 45.100 0.127 0.000 0.946 312 G HN 0.542 nan 8.290 nan 0.000 0.522 313 Y N -0.083 120.217 120.300 -0.001 0.000 2.717 313 Y HA 0.265 4.814 4.550 -0.001 0.000 0.330 313 Y C 0.986 176.875 175.900 -0.019 0.000 1.217 313 Y CA 0.406 58.509 58.100 0.005 0.000 1.506 313 Y CB 0.741 39.201 38.460 -0.001 0.000 1.268 313 Y HN 0.429 nan 8.280 nan 0.000 0.561 314 A N 4.348 126.940 122.820 -0.380 0.000 2.701 314 A HA 0.171 4.490 4.320 -0.001 0.000 0.241 314 A C -0.104 177.250 177.584 -0.383 0.000 1.231 314 A CA -0.382 51.457 52.037 -0.330 0.000 1.003 314 A CB 0.123 19.051 19.000 -0.119 0.000 1.281 314 A HN 0.656 nan 8.150 nan 0.000 0.600 315 E N 0.524 120.372 120.200 -0.587 0.000 2.398 315 E HA 0.268 4.617 4.350 -0.001 0.000 0.263 315 E C -0.515 175.956 176.600 -0.214 0.000 1.046 315 E CA 0.215 56.458 56.400 -0.262 0.000 0.908 315 E CB 0.827 30.513 29.700 -0.023 0.000 0.963 315 E HN 0.447 nan 8.360 nan 0.000 0.431 316 L N 4.157 125.365 121.223 -0.024 0.000 2.379 316 L HA 0.331 4.671 4.340 -0.001 0.000 0.269 316 L C -1.846 175.131 176.870 0.178 0.000 1.084 316 L CA -1.940 52.918 54.840 0.030 0.000 0.802 316 L CB 0.907 42.983 42.059 0.028 0.000 1.175 316 L HN 0.244 nan 8.230 nan 0.000 0.448 317 P HA 0.159 nan 4.420 nan 0.000 0.275 317 P C -1.354 176.190 177.300 0.407 0.000 1.228 317 P CA -0.193 63.047 63.100 0.233 0.000 0.786 317 P CB 0.766 32.562 31.700 0.161 0.000 0.927 318 W N 2.574 124.037 121.300 0.272 0.000 3.275 318 W HA 0.505 5.165 4.660 -0.001 0.000 0.306 318 W C -2.470 174.334 176.519 0.475 0.000 1.259 318 W CA -1.080 56.468 57.345 0.339 0.000 1.194 318 W CB 0.050 29.708 29.460 0.330 0.000 1.375 318 W HN 0.633 nan 8.180 nan 0.000 0.564 319 Y N 0.056 120.607 120.300 0.419 0.000 2.728 319 Y HA 0.874 5.423 4.550 -0.001 0.000 0.330 319 Y C -1.505 174.682 175.900 0.478 0.000 1.234 319 Y CA -1.898 56.314 58.100 0.188 0.000 1.070 319 Y CB 1.111 39.530 38.460 -0.068 0.000 1.300 319 Y HN 0.712 nan 8.280 nan 0.000 0.467 320 W N 0.150 121.561 121.300 0.184 0.000 3.029 320 W HA 0.849 5.508 4.660 -0.001 0.000 0.339 320 W C -1.806 174.804 176.519 0.151 0.000 1.198 320 W CA -1.163 56.200 57.345 0.029 0.000 1.148 320 W CB 1.757 31.224 29.460 0.012 0.000 1.451 320 W HN 0.720 nan 8.180 nan 0.000 0.564 321 S N 1.087 116.818 115.700 0.051 0.000 2.546 321 S HA 0.371 4.841 4.470 -0.001 0.000 0.272 321 S C -2.055 172.605 174.600 0.101 0.000 1.140 321 S CA -0.603 57.583 58.200 -0.025 0.000 0.920 321 S CB 1.150 64.391 63.200 0.067 0.000 1.083 321 S HN 0.452 nan 8.310 nan 0.000 0.476 322 D N 3.389 123.847 120.400 0.098 0.000 2.441 322 D HA 0.344 4.984 4.640 -0.001 0.000 0.231 322 D C -0.739 175.606 176.300 0.074 0.000 1.073 322 D CA -0.079 53.984 54.000 0.105 0.000 0.850 322 D CB 1.456 42.343 40.800 0.144 0.000 1.062 322 D HN 0.492 nan 8.370 nan 0.000 0.524 323 Q N 1.384 121.212 119.800 0.047 0.000 2.523 323 Q HA 0.501 4.841 4.340 -0.001 0.000 0.251 323 Q C 0.918 176.933 176.000 0.025 0.000 1.033 323 Q CA -0.762 55.095 55.803 0.089 0.000 0.746 323 Q CB 1.796 30.635 28.738 0.167 0.000 1.189 323 Q HN 0.657 nan 8.270 nan 0.000 0.508 324 G N 2.143 110.997 108.800 0.090 0.000 2.629 324 G HA2 -0.467 3.493 3.960 -0.001 0.000 0.313 324 G HA3 -0.467 3.493 3.960 -0.001 0.000 0.313 324 G C 0.806 175.732 174.900 0.043 0.000 1.217 324 G CA 0.273 45.443 45.100 0.118 0.000 0.994 324 G HN 0.713 nan 8.290 nan 0.000 0.549 325 A N -0.031 122.822 122.820 0.055 0.000 2.209 325 A HA 0.524 4.844 4.320 -0.001 0.000 0.212 325 A C 1.262 178.750 177.584 -0.161 0.000 1.158 325 A CA 1.110 53.135 52.037 -0.019 0.000 0.742 325 A CB -0.282 18.778 19.000 0.101 0.000 0.790 325 A HN 0.736 nan 8.150 nan 0.000 0.472 326 L N 0.814 121.853 121.223 -0.306 0.000 2.257 326 L HA 0.349 4.689 4.340 -0.001 0.000 0.290 326 L C -0.108 176.687 176.870 -0.124 0.000 1.044 326 L CA -0.366 54.318 54.840 -0.261 0.000 0.810 326 L CB 1.086 42.914 42.059 -0.386 0.000 1.193 326 L HN 0.202 nan 8.230 nan 0.000 0.425 327 R N 4.777 125.215 120.500 -0.105 0.000 2.233 327 R HA 0.517 4.856 4.340 -0.001 0.000 0.334 327 R C -0.724 175.505 176.300 -0.118 0.000 1.037 327 R CA -0.312 55.746 56.100 -0.070 0.000 0.920 327 R CB 0.875 31.132 30.300 -0.073 0.000 1.137 327 R HN 0.536 nan 8.270 nan 0.000 0.492 328 I N 2.733 123.259 120.570 -0.073 0.000 2.359 328 I HA 0.199 4.368 4.170 -0.001 0.000 0.294 328 I C 0.050 176.065 176.117 -0.170 0.000 0.987 328 I CA -0.459 60.763 61.300 -0.129 0.000 1.225 328 I CB 1.571 39.544 38.000 -0.044 0.000 1.366 328 I HN 0.355 nan 8.210 nan 0.000 0.466 329 Q N 5.295 124.870 119.800 -0.376 0.000 2.337 329 Q HA 0.691 5.030 4.340 -0.001 0.000 0.270 329 Q C -1.471 174.211 176.000 -0.530 0.000 1.043 329 Q CA -0.760 54.639 55.803 -0.673 0.000 0.794 329 Q CB 3.392 31.188 28.738 -1.570 0.000 1.281 329 Q HN 0.386 nan 8.270 nan 0.000 0.446 330 V N 1.140 120.846 119.914 -0.346 0.000 2.623 330 V HA 0.843 4.962 4.120 -0.001 0.000 0.304 330 V C -0.964 175.282 176.094 0.254 0.000 1.054 330 V CA -0.666 61.568 62.300 -0.111 0.000 0.882 330 V CB 1.719 33.250 31.823 -0.487 0.000 1.002 330 V HN 0.850 nan 8.190 nan 0.000 0.424 331 A N 3.088 126.137 122.820 0.382 0.000 2.401 331 A HA 1.009 5.329 4.320 -0.001 0.000 0.310 331 A C 0.510 178.214 177.584 0.200 0.000 1.075 331 A CA 0.130 52.365 52.037 0.330 0.000 0.746 331 A CB 1.505 20.564 19.000 0.098 0.000 1.277 331 A HN 2.228 nan 8.150 nan 0.000 0.425 332 G N -0.122 108.794 108.800 0.195 0.000 2.552 332 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.265 332 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.265 332 G C -0.086 174.894 174.900 0.134 0.000 1.234 332 G CA 0.123 45.301 45.100 0.131 0.000 0.944 332 G HN 1.249 nan 8.290 nan 0.000 0.568 333 L N 0.909 122.191 121.223 0.098 0.000 2.395 333 L HA 0.526 4.866 4.340 -0.001 0.000 0.269 333 L C 2.051 178.982 176.870 0.101 0.000 1.133 333 L CA -0.058 54.838 54.840 0.094 0.000 0.812 333 L CB 1.292 43.391 42.059 0.067 0.000 1.125 333 L HN 0.957 nan 8.230 nan 0.000 0.452 334 A N 1.798 124.681 122.820 0.105 0.000 2.066 334 A HA 0.017 4.337 4.320 -0.001 0.000 0.218 334 A C 0.904 178.538 177.584 0.083 0.000 1.157 334 A CA 1.204 53.305 52.037 0.107 0.000 0.670 334 A CB -0.184 18.883 19.000 0.111 0.000 0.804 334 A HN 0.773 nan 8.150 nan 0.000 0.453 335 S N -3.796 111.946 115.700 0.069 0.000 2.596 335 S HA 0.735 5.205 4.470 -0.001 0.000 0.270 335 S C -0.103 174.524 174.600 0.045 0.000 1.155 335 S CA -0.067 58.165 58.200 0.055 0.000 0.827 335 S CB 1.271 64.501 63.200 0.049 0.000 1.130 335 S HN 1.041 nan 8.310 nan 0.000 0.467 336 G N 0.369 109.191 108.800 0.037 0.000 3.187 336 G HA2 0.517 4.476 3.960 -0.001 0.000 0.175 336 G HA3 0.517 4.476 3.960 -0.001 0.000 0.175 336 G C -0.865 174.049 174.900 0.025 0.000 1.112 336 G CA 0.126 45.244 45.100 0.030 0.000 0.821 336 G HN 0.781 nan 8.290 nan 0.000 0.636 337 D N -0.653 119.759 120.400 0.020 0.000 2.398 337 D HA 0.194 4.833 4.640 -0.001 0.000 0.210 337 D C 0.371 176.680 176.300 0.015 0.000 1.094 337 D CA 0.082 54.092 54.000 0.017 0.000 0.839 337 D CB 0.955 41.763 40.800 0.014 0.000 0.963 337 D HN 0.478 nan 8.370 nan 0.000 0.506 338 E N -0.325 119.885 120.200 0.017 0.000 2.381 338 E HA 0.216 4.566 4.350 -0.001 0.000 0.286 338 E C -1.812 174.800 176.600 0.020 0.000 0.960 338 E CA -0.584 55.825 56.400 0.015 0.000 0.793 338 E CB 1.847 31.554 29.700 0.012 0.000 1.225 338 E HN 0.053 nan 8.360 nan 0.000 0.420 339 E N 4.775 124.986 120.200 0.018 0.000 2.199 339 E HA 0.476 4.826 4.350 -0.001 0.000 0.269 339 E C -1.085 175.525 176.600 0.017 0.000 0.899 339 E CA -0.718 55.696 56.400 0.023 0.000 0.772 339 E CB 1.292 31.009 29.700 0.027 0.000 1.155 339 E HN 0.460 nan 8.360 nan 0.000 0.408 340 I N 3.999 124.582 120.570 0.021 0.000 2.404 340 I HA 0.283 4.453 4.170 -0.001 0.000 0.293 340 I C -0.763 175.367 176.117 0.023 0.000 0.992 340 I CA -1.064 60.246 61.300 0.016 0.000 1.149 340 I CB 1.921 39.930 38.000 0.015 0.000 1.315 340 I HN 0.294 nan 8.210 nan 0.000 0.446 341 V N 7.011 126.931 119.914 0.009 0.000 2.347 341 V HA 0.409 4.528 4.120 -0.001 0.000 0.280 341 V C 0.090 176.193 176.094 0.016 0.000 1.021 341 V CA -0.653 61.652 62.300 0.009 0.000 0.847 341 V CB 1.318 33.112 31.823 -0.047 0.000 0.990 341 V HN 0.642 nan 8.190 nan 0.000 0.444 342 R N 3.595 124.124 120.500 0.048 0.000 2.229 342 R HA 0.659 4.998 4.340 -0.001 0.000 0.332 342 R C 0.539 176.877 176.300 0.064 0.000 0.989 342 R CA 0.283 56.409 56.100 0.044 0.000 0.842 342 R CB 1.533 31.859 30.300 0.044 0.000 1.119 342 R HN 1.097 nan 8.270 nan 0.000 0.456 343 G N 2.188 111.008 108.800 0.034 0.000 2.712 343 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.683 343 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.683 343 G C -0.826 174.070 174.900 -0.006 0.000 1.320 343 G CA -0.797 44.325 45.100 0.037 0.000 0.847 343 G HN 0.696 nan 8.290 nan 0.000 0.553 344 E N -1.303 118.889 120.200 -0.014 0.000 2.313 344 E HA 0.568 4.917 4.350 -0.001 0.000 0.272 344 E C -0.228 176.276 176.600 -0.161 0.000 1.038 344 E CA -1.035 55.323 56.400 -0.071 0.000 0.863 344 E CB 1.902 31.584 29.700 -0.030 0.000 1.060 344 E HN 0.566 nan 8.360 nan 0.000 0.402 345 V N 2.922 122.641 119.914 -0.324 0.000 2.320 345 V HA 0.322 4.442 4.120 -0.001 0.000 0.265 345 V C -0.271 175.697 176.094 -0.210 0.000 1.048 345 V CA -0.235 61.692 62.300 -0.621 0.000 0.865 345 V CB 0.252 31.550 31.823 -0.876 0.000 1.043 345 V HN 0.714 nan 8.190 nan 0.000 0.474 346 S N 4.135 119.813 115.700 -0.036 0.000 2.536 346 S HA 0.545 5.015 4.470 -0.001 0.000 0.271 346 S C 0.441 175.291 174.600 0.417 0.000 1.134 346 S CA -0.705 57.612 58.200 0.195 0.000 0.897 346 S CB 1.827 65.087 63.200 0.099 0.000 1.094 346 S HN 0.491 nan 8.310 nan 0.000 0.473 347 L N 1.668 123.131 121.223 0.401 0.000 2.362 347 L HA 0.096 4.436 4.340 -0.001 0.000 0.219 347 L C -0.015 176.996 176.870 0.235 0.000 1.134 347 L CA 0.744 55.788 54.840 0.339 0.000 0.807 347 L CB -0.323 41.841 42.059 0.174 0.000 0.927 347 L HN 0.597 nan 8.230 nan 0.000 0.447 348 D N 1.243 121.748 120.400 0.174 0.000 2.352 348 D HA 0.371 5.010 4.640 -0.001 0.000 0.245 348 D C 0.547 176.921 176.300 0.123 0.000 1.224 348 D CA 0.469 54.542 54.000 0.123 0.000 0.879 348 D CB 0.654 41.505 40.800 0.085 0.000 1.057 348 D HN 0.200 nan 8.370 nan 0.000 0.491 349 A N 3.539 126.431 122.820 0.120 0.000 2.251 349 A HA -0.148 4.172 4.320 -0.001 0.000 0.283 349 A C -2.048 175.603 177.584 0.112 0.000 1.415 349 A CA -0.685 51.411 52.037 0.098 0.000 0.742 349 A CB -1.552 17.486 19.000 0.063 0.000 1.151 349 A HN 0.346 nan 8.150 nan 0.000 0.354 350 P HA 0.338 nan 4.420 nan 0.000 0.263 350 P C -0.135 177.194 177.300 0.047 0.000 1.195 350 P CA 0.667 63.876 63.100 0.183 0.000 0.762 350 P CB 0.506 32.400 31.700 0.324 0.000 0.799 351 K N 4.458 124.889 120.400 0.052 0.000 2.670 351 K HA 0.421 4.740 4.320 -0.001 0.000 0.274 351 K C -1.626 175.011 176.600 0.061 0.000 1.068 351 K CA -0.598 55.667 56.287 -0.038 0.000 0.967 351 K CB 0.531 33.025 32.500 -0.010 0.000 1.297 351 K HN 0.404 nan 8.250 nan 0.000 0.477 352 F N -1.259 118.609 119.950 -0.137 0.000 2.741 352 F HA 0.620 5.146 4.527 -0.001 0.000 0.313 352 F C -1.442 174.303 175.800 -0.091 0.000 1.153 352 F CA -0.826 57.099 58.000 -0.125 0.000 0.931 352 F CB 1.768 40.658 39.000 -0.183 0.000 1.335 352 F HN 0.065 nan 8.300 nan 0.000 0.460 353 T N 2.512 117.177 114.554 0.185 0.000 2.886 353 T HA 0.708 5.058 4.350 -0.001 0.000 0.292 353 T C -1.012 173.804 174.700 0.194 0.000 1.012 353 T CA -0.618 61.545 62.100 0.105 0.000 0.982 353 T CB 1.641 70.542 68.868 0.056 0.000 1.018 353 T HN 0.643 nan 8.240 nan 0.000 0.451 354 L N 3.433 124.757 121.223 0.168 0.000 2.346 354 L HA 0.706 5.045 4.340 -0.001 0.000 0.274 354 L C -0.759 176.167 176.870 0.094 0.000 1.007 354 L CA -1.054 53.870 54.840 0.139 0.000 0.818 354 L CB 1.699 43.855 42.059 0.162 0.000 1.284 354 L HN 0.498 nan 8.230 nan 0.000 0.424 355 I N 1.954 122.564 120.570 0.068 0.000 2.466 355 I HA 0.312 4.481 4.170 -0.001 0.000 0.289 355 I C -0.681 175.462 176.117 0.044 0.000 1.026 355 I CA -0.694 60.636 61.300 0.049 0.000 1.078 355 I CB 2.137 40.156 38.000 0.031 0.000 1.249 355 I HN 0.492 nan 8.210 nan 0.000 0.429 356 E N 6.883 127.109 120.200 0.045 0.000 2.175 356 E HA 0.642 4.992 4.350 -0.001 0.000 0.278 356 E C -0.996 175.621 176.600 0.029 0.000 0.969 356 E CA -0.695 55.729 56.400 0.040 0.000 0.796 356 E CB 2.408 32.139 29.700 0.050 0.000 1.104 356 E HN 0.330 nan 8.360 nan 0.000 0.395 357 L N 1.841 123.078 121.223 0.023 0.000 2.341 357 L HA 0.426 4.765 4.340 -0.001 0.000 0.267 357 L C -0.318 176.562 176.870 0.017 0.000 1.009 357 L CA -0.873 53.977 54.840 0.017 0.000 0.819 357 L CB 1.616 43.682 42.059 0.012 0.000 1.323 357 L HN 0.307 nan 8.230 nan 0.000 0.425 358 Q N 1.691 121.499 119.800 0.014 0.000 2.290 358 Q HA 0.403 4.743 4.340 -0.001 0.000 0.269 358 Q C -1.042 174.964 176.000 0.010 0.000 1.016 358 Q CA -0.582 55.229 55.803 0.013 0.000 0.754 358 Q CB 1.185 29.932 28.738 0.015 0.000 1.247 358 Q HN 0.406 nan 8.270 nan 0.000 0.451 359 K N 3.507 123.913 120.400 0.009 0.000 3.156 359 K HA -0.288 4.032 4.320 -0.001 0.000 0.266 359 K C 0.594 177.196 176.600 0.005 0.000 0.966 359 K CA 0.739 57.029 56.287 0.006 0.000 0.719 359 K CB -1.990 30.513 32.500 0.006 0.000 1.333 359 K HN 1.209 nan 8.250 nan 0.000 0.468 360 G N 0.153 108.956 108.800 0.005 0.000 2.205 360 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.261 360 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.261 360 G C 0.075 174.976 174.900 0.002 0.000 0.980 360 G CA 0.555 45.657 45.100 0.003 0.000 0.632 360 G HN 0.508 nan 8.290 nan 0.000 0.533 361 R N 0.513 121.015 120.500 0.002 0.000 2.312 361 R HA 0.630 4.970 4.340 -0.001 0.000 0.311 361 R C 0.496 176.797 176.300 0.002 0.000 1.004 361 R CA -0.949 55.151 56.100 -0.000 0.000 0.902 361 R CB 0.331 30.631 30.300 0.000 0.000 1.073 361 R HN 0.223 nan 8.270 nan 0.000 0.457 362 I N 5.816 126.384 120.570 -0.003 0.000 2.587 362 I HA -0.067 4.103 4.170 -0.001 0.000 0.284 362 I C 1.285 177.402 176.117 0.001 0.000 1.134 362 I CA 0.085 61.383 61.300 -0.002 0.000 1.410 362 I CB 1.175 39.167 38.000 -0.013 0.000 1.392 362 I HN 0.599 nan 8.210 nan 0.000 0.545 363 V N 2.592 122.513 119.914 0.012 0.000 3.502 363 V HA 0.620 4.740 4.120 -0.001 0.000 0.288 363 V C 0.508 176.622 176.094 0.033 0.000 1.461 363 V CA 0.302 62.614 62.300 0.020 0.000 1.029 363 V CB 0.158 31.995 31.823 0.025 0.000 0.843 363 V HN 0.818 nan 8.190 nan 0.000 0.438 364 G N -0.824 107.998 108.800 0.035 0.000 2.547 364 G HA2 0.836 4.795 3.960 -0.001 0.000 0.291 364 G HA3 0.836 4.795 3.960 -0.001 0.000 0.291 364 G C -1.453 173.482 174.900 0.058 0.000 1.471 364 G CA -0.028 45.107 45.100 0.058 0.000 0.798 364 G HN 1.189 nan 8.290 nan 0.000 0.504 365 A N -0.380 122.494 122.820 0.090 0.000 2.604 365 A HA 0.929 5.249 4.320 -0.001 0.000 0.295 365 A C -0.690 177.009 177.584 0.192 0.000 1.067 365 A CA -0.476 51.628 52.037 0.111 0.000 0.683 365 A CB 1.818 20.856 19.000 0.063 0.000 1.281 365 A HN 1.198 nan 8.150 nan 0.000 0.407 366 T N 0.555 115.204 114.554 0.159 0.000 2.916 366 T HA 0.575 4.924 4.350 -0.001 0.000 0.298 366 T C -1.065 173.650 174.700 0.025 0.000 1.031 366 T CA -0.216 61.942 62.100 0.096 0.000 0.993 366 T CB 1.044 69.956 68.868 0.073 0.000 1.045 366 T HN 0.844 nan 8.240 nan 0.000 0.454 367 C N 2.870 122.103 119.300 -0.113 0.000 2.396 367 C HA 0.721 5.181 4.460 -0.001 0.000 0.321 367 C C -0.102 174.657 174.990 -0.385 0.000 1.233 367 C CA -0.774 58.114 59.018 -0.218 0.000 1.440 367 C CB 0.865 28.527 27.740 -0.131 0.000 2.110 367 C HN 0.709 nan 8.230 nan 0.000 0.473 368 V N 4.870 124.438 119.914 -0.577 0.000 2.334 368 V HA 0.392 4.512 4.120 -0.001 0.000 0.281 368 V C -0.104 175.744 176.094 -0.410 0.000 1.016 368 V CA -0.271 61.668 62.300 -0.602 0.000 0.832 368 V CB 0.995 32.159 31.823 -1.099 0.000 0.999 368 V HN 0.984 nan 8.190 nan 0.000 0.439 369 N N 3.833 122.379 118.700 -0.258 0.000 2.740 369 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 369 N C 0.010 175.433 175.510 -0.144 0.000 1.062 369 N CA 0.820 53.770 53.050 -0.166 0.000 0.704 369 N CB -0.920 37.493 38.487 -0.124 0.000 0.968 369 N HN 0.796 nan 8.380 nan 0.000 0.547 370 N N -1.017 117.588 118.700 -0.157 0.000 2.666 370 N HA 0.358 5.098 4.740 -0.001 0.000 0.253 370 N C 0.744 176.206 175.510 -0.081 0.000 1.621 370 N CA 0.405 53.391 53.050 -0.106 0.000 0.785 370 N CB 0.315 38.740 38.487 -0.103 0.000 1.332 370 N HN 0.219 nan 8.380 nan 0.000 0.514 371 A N 0.641 123.410 122.820 -0.086 0.000 1.978 371 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 371 A C 2.136 179.716 177.584 -0.007 0.000 1.170 371 A CA 1.187 53.187 52.037 -0.062 0.000 0.636 371 A CB -0.263 18.686 19.000 -0.086 0.000 0.810 371 A HN 0.511 nan 8.150 nan 0.000 0.448 372 R N -0.537 119.950 120.500 -0.021 0.000 2.127 372 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 372 R C 1.018 177.316 176.300 -0.003 0.000 1.134 372 R CA 1.808 57.898 56.100 -0.016 0.000 0.975 372 R CB -0.235 30.052 30.300 -0.022 0.000 0.865 372 R HN 0.423 nan 8.270 nan 0.000 0.447 373 D N -0.700 119.708 120.400 0.013 0.000 2.234 373 D HA -0.096 4.544 4.640 -0.001 0.000 0.205 373 D C 1.293 177.624 176.300 0.052 0.000 0.962 373 D CA 0.542 54.554 54.000 0.020 0.000 0.855 373 D CB -0.087 40.728 40.800 0.024 0.000 0.951 373 D HN 0.137 nan 8.370 nan 0.000 0.500 374 F N 1.678 121.562 119.950 -0.110 0.000 2.113 374 F HA -0.065 4.462 4.527 -0.001 0.000 0.297 374 F C 2.188 177.890 175.800 -0.162 0.000 1.103 374 F CA 1.221 59.140 58.000 -0.135 0.000 1.248 374 F CB -0.470 38.434 39.000 -0.159 0.000 0.999 374 F HN -0.062 nan 8.300 nan 0.000 0.475 375 A N 0.669 123.412 122.820 -0.128 0.000 1.865 375 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 375 A C -0.120 177.331 177.584 -0.222 0.000 1.191 375 A CA 1.987 53.884 52.037 -0.235 0.000 0.623 375 A CB -2.231 16.687 19.000 -0.138 0.000 0.826 375 A HN 0.339 nan 8.150 nan 0.000 0.444 376 P HA -0.137 nan 4.420 nan 0.000 0.215 376 P C 1.470 178.684 177.300 -0.143 0.000 1.153 376 P CA 0.918 63.948 63.100 -0.117 0.000 0.853 376 P CB -0.167 31.490 31.700 -0.073 0.000 0.788 377 L N -1.165 119.956 121.223 -0.171 0.000 2.093 377 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 377 L C 2.702 179.421 176.870 -0.252 0.000 1.085 377 L CA 1.393 56.128 54.840 -0.175 0.000 0.755 377 L CB -0.524 41.453 42.059 -0.136 0.000 0.904 377 L HN -0.115 nan 8.230 nan 0.000 0.435 378 R N -0.454 119.797 120.500 -0.415 0.000 2.120 378 R HA -0.182 4.157 4.340 -0.001 0.000 0.234 378 R C 2.377 178.535 176.300 -0.237 0.000 1.123 378 R CA 1.100 56.953 56.100 -0.412 0.000 0.975 378 R CB -0.251 29.673 30.300 -0.628 0.000 0.866 378 R HN 0.153 nan 8.270 nan 0.000 0.446 379 R N 1.302 121.683 120.500 -0.198 0.000 2.075 379 R HA -0.039 4.301 4.340 -0.001 0.000 0.232 379 R C 2.050 178.292 176.300 -0.096 0.000 1.126 379 R CA 1.305 57.329 56.100 -0.127 0.000 0.963 379 R CB -0.629 29.607 30.300 -0.106 0.000 0.858 379 R HN 0.150 nan 8.270 nan 0.000 0.435 380 L N 0.194 121.360 121.223 -0.096 0.000 2.046 380 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 380 L C 2.243 179.075 176.870 -0.063 0.000 1.077 380 L CA 0.957 55.755 54.840 -0.068 0.000 0.747 380 L CB -0.641 41.382 42.059 -0.061 0.000 0.896 380 L HN 0.239 nan 8.230 nan 0.000 0.432 381 L N 0.262 121.436 121.223 -0.080 0.000 2.042 381 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 381 L C 2.627 179.466 176.870 -0.052 0.000 1.076 381 L CA 2.069 56.872 54.840 -0.063 0.000 0.749 381 L CB -0.788 41.224 42.059 -0.079 0.000 0.893 381 L HN 0.154 nan 8.230 nan 0.000 0.432 382 A N -0.769 122.012 122.820 -0.065 0.000 1.940 382 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 382 A C 2.090 179.651 177.584 -0.039 0.000 1.176 382 A CA 2.138 54.145 52.037 -0.051 0.000 0.631 382 A CB -1.183 17.782 19.000 -0.058 0.000 0.814 382 A HN 0.581 nan 8.150 nan 0.000 0.446 383 V N -3.613 116.278 119.914 -0.038 0.000 3.649 383 V HA 0.500 4.619 4.120 -0.001 0.000 0.275 383 V C 1.221 177.301 176.094 -0.023 0.000 1.281 383 V CA 0.477 62.760 62.300 -0.029 0.000 1.143 383 V CB -1.082 30.725 31.823 -0.028 0.000 0.892 383 V HN 1.528 nan 8.190 nan 0.000 0.441 384 G N 0.755 109.541 108.800 -0.025 0.000 2.314 384 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.292 384 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.292 384 G C 0.345 175.235 174.900 -0.016 0.000 1.059 384 G CA 0.335 45.424 45.100 -0.018 0.000 0.982 384 G HN 1.713 nan 8.290 nan 0.000 0.505 385 A N -0.232 122.576 122.820 -0.021 0.000 2.498 385 A HA 0.541 4.861 4.320 -0.001 0.000 0.239 385 A C 0.895 178.471 177.584 -0.013 0.000 1.068 385 A CA 0.573 52.598 52.037 -0.019 0.000 0.766 385 A CB 0.335 19.320 19.000 -0.024 0.000 1.003 385 A HN 0.514 nan 8.150 nan 0.000 0.497 386 K N 2.705 123.099 120.400 -0.011 0.000 2.602 386 K HA 0.293 4.612 4.320 -0.001 0.000 0.201 386 K C -2.571 174.024 176.600 -0.007 0.000 1.070 386 K CA -1.185 55.097 56.287 -0.007 0.000 1.026 386 K CB 0.577 33.074 32.500 -0.005 0.000 1.534 386 K HN 0.549 nan 8.250 nan 0.000 0.560 387 P HA 0.041 nan 4.420 nan 0.000 0.276 387 P C -0.648 176.649 177.300 -0.005 0.000 1.261 387 P CA -0.572 62.523 63.100 -0.008 0.000 0.800 387 P CB 0.560 32.254 31.700 -0.010 0.000 1.066 388 D N -0.385 120.012 120.400 -0.005 0.000 2.401 388 D HA 0.016 4.655 4.640 -0.001 0.000 0.254 388 D C 0.946 177.245 176.300 -0.002 0.000 1.192 388 D CA 0.017 54.015 54.000 -0.003 0.000 0.885 388 D CB 0.575 41.373 40.800 -0.004 0.000 1.147 388 D HN 0.112 nan 8.370 nan 0.000 0.478 389 R N 3.202 123.701 120.500 -0.001 0.000 2.096 389 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 389 R C 2.123 178.423 176.300 0.000 0.000 1.127 389 R CA 1.419 57.519 56.100 0.000 0.000 0.968 389 R CB -0.390 29.910 30.300 0.001 0.000 0.861 389 R HN 0.545 nan 8.270 nan 0.000 0.440 390 A N 0.990 123.809 122.820 -0.001 0.000 1.902 390 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 390 A C 2.356 179.940 177.584 -0.001 0.000 1.181 390 A CA 1.746 53.783 52.037 -0.001 0.000 0.623 390 A CB -0.904 18.095 19.000 -0.001 0.000 0.818 390 A HN 0.379 nan 8.150 nan 0.000 0.443 391 A N -0.341 122.478 122.820 -0.002 0.000 1.902 391 A HA -0.031 4.288 4.320 -0.001 0.000 0.217 391 A C 2.149 179.732 177.584 -0.002 0.000 1.181 391 A CA 1.455 53.491 52.037 -0.002 0.000 0.623 391 A CB -0.587 18.411 19.000 -0.004 0.000 0.818 391 A HN 0.474 nan 8.150 nan 0.000 0.443 392 L N -1.018 120.204 121.223 -0.001 0.000 2.131 392 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 392 L C 3.015 179.888 176.870 0.005 0.000 1.092 392 L CA 1.001 55.842 54.840 0.001 0.000 0.759 392 L CB -0.425 41.635 42.059 0.002 0.000 0.903 392 L HN 0.474 nan 8.230 nan 0.000 0.435 393 A N -1.179 121.644 122.820 0.003 0.000 1.874 393 A HA -0.129 4.190 4.320 -0.001 0.000 0.214 393 A C 0.978 178.564 177.584 0.003 0.000 1.189 393 A CA 0.252 52.292 52.037 0.004 0.000 0.615 393 A CB -0.364 18.637 19.000 0.001 0.000 0.830 393 A HN 0.298 nan 8.150 nan 0.000 0.443 394 D N 0.703 121.104 120.400 0.001 0.000 2.662 394 D HA -0.020 4.619 4.640 -0.001 0.000 0.233 394 D C -1.347 174.954 176.300 0.001 0.000 1.129 394 D CA -0.947 53.054 54.000 0.000 0.000 0.851 394 D CB 0.910 41.709 40.800 -0.001 0.000 1.152 394 D HN 0.168 nan 8.370 nan 0.000 0.507 395 P HA -0.082 nan 4.420 nan 0.000 0.223 395 P C 0.822 178.123 177.300 0.001 0.000 1.151 395 P CA 0.679 63.781 63.100 0.003 0.000 0.787 395 P CB 0.130 31.831 31.700 0.003 0.000 0.788 396 A N -0.410 122.409 122.820 -0.000 0.000 2.168 396 A HA 0.012 4.332 4.320 -0.001 0.000 0.215 396 A C 1.133 178.715 177.584 -0.003 0.000 1.152 396 A CA 0.772 52.807 52.037 -0.002 0.000 0.716 396 A CB -1.387 17.612 19.000 -0.002 0.000 0.794 396 A HN 0.167 nan 8.150 nan 0.000 0.465 397 T N 1.369 115.921 114.554 -0.003 0.000 2.851 397 T HA 0.280 4.629 4.350 -0.001 0.000 0.298 397 T C -0.430 174.267 174.700 -0.006 0.000 0.977 397 T CA -0.025 62.072 62.100 -0.004 0.000 1.126 397 T CB 0.923 69.788 68.868 -0.004 0.000 0.916 397 T HN 0.349 nan 8.240 nan 0.000 0.529 398 D N 3.012 123.408 120.400 -0.008 0.000 2.359 398 D HA 0.201 4.841 4.640 -0.001 0.000 0.230 398 D C 1.013 177.304 176.300 -0.014 0.000 1.118 398 D CA -0.479 53.515 54.000 -0.011 0.000 0.844 398 D CB 0.494 41.288 40.800 -0.011 0.000 1.059 398 D HN 0.375 nan 8.370 nan 0.000 0.493 399 L N 3.127 124.341 121.223 -0.016 0.000 2.156 399 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 399 L C 2.320 179.173 176.870 -0.029 0.000 1.095 399 L CA 0.410 55.237 54.840 -0.021 0.000 0.770 399 L CB -0.234 41.812 42.059 -0.021 0.000 0.914 399 L HN 0.363 nan 8.230 nan 0.000 0.439 400 R N 0.947 121.430 120.500 -0.028 0.000 2.081 400 R HA -0.196 4.143 4.340 -0.001 0.000 0.235 400 R C 2.285 178.568 176.300 -0.028 0.000 1.131 400 R CA 1.611 57.691 56.100 -0.032 0.000 0.960 400 R CB -0.197 30.085 30.300 -0.029 0.000 0.856 400 R HN 0.165 nan 8.270 nan 0.000 0.436 401 K N -0.436 119.951 120.400 -0.023 0.000 2.057 401 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 401 K C 1.867 178.454 176.600 -0.020 0.000 1.050 401 K CA 1.279 57.554 56.287 -0.019 0.000 0.935 401 K CB -0.161 32.330 32.500 -0.015 0.000 0.715 401 K HN 0.106 nan 8.250 nan 0.000 0.439 402 L N 1.100 122.311 121.223 -0.021 0.000 2.012 402 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 402 L C 2.337 179.191 176.870 -0.027 0.000 1.073 402 L CA 2.138 56.965 54.840 -0.022 0.000 0.748 402 L CB -0.757 41.289 42.059 -0.021 0.000 0.891 402 L HN 0.259 nan 8.230 nan 0.000 0.431 403 A N -1.208 121.592 122.820 -0.034 0.000 1.933 403 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 403 A C 2.404 179.967 177.584 -0.035 0.000 1.175 403 A CA 1.676 53.688 52.037 -0.041 0.000 0.628 403 A CB -0.931 18.036 19.000 -0.055 0.000 0.814 403 A HN 0.474 nan 8.150 nan 0.000 0.444 404 A N -0.352 122.450 122.820 -0.030 0.000 1.969 404 A HA 0.252 4.572 4.320 -0.001 0.000 0.218 404 A C 2.411 179.983 177.584 -0.020 0.000 1.169 404 A CA 1.751 53.773 52.037 -0.025 0.000 0.635 404 A CB -0.751 18.236 19.000 -0.022 0.000 0.810 404 A HN 0.962 nan 8.150 nan 0.000 0.445 405 A N -0.498 122.311 122.820 -0.019 0.000 1.968 405 A HA 0.304 4.624 4.320 -0.001 0.000 0.217 405 A C 1.343 178.917 177.584 -0.016 0.000 1.169 405 A CA 0.953 52.980 52.037 -0.016 0.000 0.638 405 A CB -0.644 18.348 19.000 -0.014 0.000 0.812 405 A HN 0.277 nan 8.150 nan 0.000 0.446 406 V N 0.000 119.903 119.914 -0.019 0.000 2.409 406 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 406 V CB 0.000 31.809 31.823 -0.022 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556