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 2yvg_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 0.000 176.853 176.870 -0.028 0.000 1.165 6 L CA 0.000 54.788 54.840 -0.086 0.000 0.813 6 L CB 0.000 41.944 42.059 -0.192 0.000 0.961 7 K N 4.145 124.541 120.400 -0.007 0.000 2.262 7 K HA 0.820 5.139 4.320 -0.001 0.000 0.282 7 K C -0.050 176.586 176.600 0.060 0.000 1.066 7 K CA -0.089 56.221 56.287 0.038 0.000 0.901 7 K CB 1.523 34.056 32.500 0.055 0.000 1.089 7 K HN 0.745 nan 8.250 nan 0.000 0.476 8 A N 4.721 127.607 122.820 0.110 0.000 2.304 8 A HA 0.448 4.768 4.320 -0.001 0.000 0.271 8 A C -2.065 175.583 177.584 0.106 0.000 1.091 8 A CA -1.234 50.901 52.037 0.164 0.000 0.812 8 A CB -0.126 19.008 19.000 0.224 0.000 1.056 8 A HN 0.506 nan 8.150 nan 0.000 0.489 9 P HA 0.396 nan 4.420 nan 0.000 0.278 9 P C -0.887 176.499 177.300 0.142 0.000 1.258 9 P CA -0.334 62.855 63.100 0.148 0.000 0.811 9 P CB 0.969 32.733 31.700 0.106 0.000 1.063 10 V N 1.754 121.741 119.914 0.121 0.000 2.439 10 V HA 0.250 4.370 4.120 -0.001 0.000 0.282 10 V C 0.310 176.420 176.094 0.026 0.000 1.039 10 V CA -0.459 61.864 62.300 0.039 0.000 0.913 10 V CB 1.584 33.381 31.823 -0.044 0.000 0.983 10 V HN 0.260 nan 8.190 nan 0.000 0.460 11 V N 5.703 125.605 119.914 -0.021 0.000 2.487 11 V HA 0.515 4.634 4.120 -0.001 0.000 0.298 11 V C -0.363 175.638 176.094 -0.154 0.000 1.028 11 V CA -0.564 61.693 62.300 -0.072 0.000 0.860 11 V CB 2.125 33.917 31.823 -0.052 0.000 0.991 11 V HN 0.602 nan 8.190 nan 0.000 0.427 12 V N 6.039 125.872 119.914 -0.136 0.000 2.448 12 V HA 0.495 4.614 4.120 -0.001 0.000 0.295 12 V C -0.258 175.751 176.094 -0.142 0.000 1.025 12 V CA -0.607 61.591 62.300 -0.170 0.000 0.859 12 V CB 1.784 33.538 31.823 -0.114 0.000 0.988 12 V HN 0.634 nan 8.190 nan 0.000 0.431 13 L N 4.664 125.786 121.223 -0.168 0.000 2.264 13 L HA 0.847 5.187 4.340 -0.001 0.000 0.289 13 L C 0.709 177.528 176.870 -0.085 0.000 1.044 13 L CA -0.117 54.658 54.840 -0.110 0.000 0.807 13 L CB 1.004 42.991 42.059 -0.119 0.000 1.192 13 L HN 0.968 nan 8.230 nan 0.000 0.425 14 G N 2.627 111.405 108.800 -0.036 0.000 2.784 14 G HA2 0.150 4.109 3.960 -0.001 0.000 0.686 14 G HA3 0.150 4.109 3.960 -0.001 0.000 0.686 14 G C -0.427 174.488 174.900 0.025 0.000 1.156 14 G CA -0.296 44.791 45.100 -0.021 0.000 0.757 14 G HN 0.928 nan 8.290 nan 0.000 0.642 15 A N 1.107 123.955 122.820 0.048 0.000 2.674 15 A HA 0.810 5.129 4.320 -0.001 0.000 0.286 15 A C 1.184 178.772 177.584 0.008 0.000 0.980 15 A CA 1.124 53.242 52.037 0.135 0.000 1.028 15 A CB -0.085 19.050 19.000 0.226 0.000 1.199 15 A HN 2.213 nan 8.150 nan 0.000 0.499 16 G N -1.014 107.750 108.800 -0.059 0.000 2.508 16 G HA2 0.396 4.356 3.960 -0.001 0.000 0.278 16 G HA3 0.396 4.356 3.960 -0.001 0.000 0.278 16 G C 0.927 175.760 174.900 -0.112 0.000 1.389 16 G CA -0.002 45.012 45.100 -0.144 0.000 1.050 16 G HN 0.488 nan 8.290 nan 0.000 0.522 17 L N 0.303 121.430 121.223 -0.160 0.000 2.042 17 L HA -0.056 4.283 4.340 -0.001 0.000 0.210 17 L C 2.998 179.770 176.870 -0.163 0.000 1.076 17 L CA 2.890 57.622 54.840 -0.180 0.000 0.749 17 L CB -0.806 41.074 42.059 -0.298 0.000 0.893 17 L HN 0.534 nan 8.230 nan 0.000 0.432 18 A N -1.505 121.218 122.820 -0.162 0.000 1.877 18 A HA -0.248 4.071 4.320 -0.001 0.000 0.216 18 A C 2.525 180.085 177.584 -0.041 0.000 1.186 18 A CA 2.086 54.041 52.037 -0.136 0.000 0.620 18 A CB -1.266 17.638 19.000 -0.160 0.000 0.822 18 A HN 0.575 nan 8.150 nan 0.000 0.443 19 S N -0.600 115.088 115.700 -0.020 0.000 2.353 19 S HA -0.152 4.318 4.470 -0.001 0.000 0.222 19 S C 1.934 176.649 174.600 0.192 0.000 1.035 19 S CA 1.860 60.102 58.200 0.070 0.000 1.025 19 S CB -0.628 62.614 63.200 0.070 0.000 0.902 19 S HN 0.317 nan 8.310 nan 0.000 0.440 20 V N 1.601 121.629 119.914 0.190 0.000 2.332 20 V HA -0.142 3.978 4.120 -0.001 0.000 0.248 20 V C 2.725 178.909 176.094 0.150 0.000 1.055 20 V CA 2.240 64.693 62.300 0.256 0.000 1.038 20 V CB -1.098 30.805 31.823 0.134 0.000 0.651 20 V HN 0.519 nan 8.190 nan 0.000 0.450 21 S N -0.316 115.421 115.700 0.062 0.000 2.368 21 S HA -0.192 4.278 4.470 -0.001 0.000 0.225 21 S C 1.764 176.398 174.600 0.058 0.000 1.030 21 S CA 1.899 60.112 58.200 0.020 0.000 0.999 21 S CB -0.469 62.692 63.200 -0.066 0.000 0.844 21 S HN 0.631 nan 8.310 nan 0.000 0.459 22 F N 3.002 122.916 119.950 -0.061 0.000 2.113 22 F HA -0.144 4.383 4.527 -0.001 0.000 0.297 22 F C 2.253 178.019 175.800 -0.056 0.000 1.103 22 F CA 1.466 59.421 58.000 -0.074 0.000 1.248 22 F CB -0.520 38.419 39.000 -0.102 0.000 0.999 22 F HN 0.090 nan 8.300 nan 0.000 0.475 23 V N -0.529 119.370 119.914 -0.024 0.000 2.427 23 V HA -0.051 4.068 4.120 -0.001 0.000 0.248 23 V C 2.418 178.443 176.094 -0.115 0.000 1.051 23 V CA 1.448 63.659 62.300 -0.150 0.000 1.048 23 V CB -1.943 29.849 31.823 -0.052 0.000 0.666 23 V HN 0.377 nan 8.190 nan 0.000 0.456 24 A N 0.707 123.518 122.820 -0.015 0.000 1.902 24 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 24 A C 2.205 179.753 177.584 -0.060 0.000 1.181 24 A CA 2.071 54.109 52.037 0.001 0.000 0.623 24 A CB -0.679 18.348 19.000 0.044 0.000 0.818 24 A HN 0.659 nan 8.150 nan 0.000 0.443 25 E N 0.222 120.354 120.200 -0.112 0.000 2.106 25 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 25 E C 1.806 178.293 176.600 -0.189 0.000 0.984 25 E CA 1.036 57.358 56.400 -0.131 0.000 0.806 25 E CB -0.421 29.208 29.700 -0.118 0.000 0.750 25 E HN 0.598 nan 8.360 nan 0.000 0.458 26 L N 0.074 121.099 121.223 -0.330 0.000 2.012 26 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 26 L C 2.683 179.512 176.870 -0.068 0.000 1.073 26 L CA 1.391 56.064 54.840 -0.278 0.000 0.748 26 L CB -0.454 41.367 42.059 -0.397 0.000 0.891 26 L HN 0.131 nan 8.230 nan 0.000 0.431 27 R N -0.232 120.237 120.500 -0.052 0.000 2.081 27 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 27 R C 2.220 178.508 176.300 -0.020 0.000 1.131 27 R CA 1.045 57.135 56.100 -0.016 0.000 0.960 27 R CB -0.598 29.694 30.300 -0.013 0.000 0.856 27 R HN 0.437 nan 8.270 nan 0.000 0.436 28 Q N 0.112 119.896 119.800 -0.027 0.000 2.167 28 Q HA 0.015 4.355 4.340 -0.001 0.000 0.202 28 Q C 1.898 177.887 176.000 -0.017 0.000 0.970 28 Q CA 1.515 57.307 55.803 -0.017 0.000 0.855 28 Q CB -0.295 28.436 28.738 -0.011 0.000 0.911 28 Q HN 0.302 nan 8.270 nan 0.000 0.438 29 A N -0.620 122.183 122.820 -0.028 0.000 2.167 29 A HA 0.275 4.595 4.320 -0.001 0.000 0.214 29 A C 1.511 179.089 177.584 -0.010 0.000 1.151 29 A CA 1.356 53.379 52.037 -0.024 0.000 0.735 29 A CB -0.080 18.893 19.000 -0.045 0.000 0.802 29 A HN 0.440 nan 8.150 nan 0.000 0.467 30 G N -2.884 105.915 108.800 -0.002 0.000 2.205 30 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.180 30 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.180 30 G C 0.026 174.936 174.900 0.016 0.000 1.004 30 G CA 0.023 45.122 45.100 -0.002 0.000 0.670 30 G HN 0.759 nan 8.290 nan 0.000 0.496 31 Y N 2.339 122.585 120.300 -0.090 0.000 2.465 31 Y HA 0.529 5.078 4.550 -0.001 0.000 0.331 31 Y C 1.073 176.924 175.900 -0.081 0.000 1.102 31 Y CA 0.242 58.287 58.100 -0.092 0.000 1.358 31 Y CB 0.931 39.317 38.460 -0.124 0.000 1.213 31 Y HN 0.119 nan 8.280 nan 0.000 0.525 32 Q N 4.764 124.167 119.800 -0.661 0.000 2.171 32 Q HA 0.247 4.586 4.340 -0.001 0.000 0.218 32 Q C 0.662 176.253 176.000 -0.682 0.000 0.822 32 Q CA 0.318 55.806 55.803 -0.525 0.000 0.987 32 Q CB 1.125 29.703 28.738 -0.267 0.000 1.144 32 Q HN 0.945 nan 8.270 nan 0.000 0.494 33 G N 0.479 108.482 108.800 -1.328 0.000 2.588 33 G HA2 0.414 4.373 3.960 -0.001 0.000 0.278 33 G HA3 0.414 4.373 3.960 -0.001 0.000 0.278 33 G C -0.058 174.625 174.900 -0.362 0.000 1.307 33 G CA -0.646 44.025 45.100 -0.715 0.000 1.016 33 G HN 0.146 nan 8.290 nan 0.000 0.503 34 L N -0.289 120.900 121.223 -0.056 0.000 2.490 34 L HA 0.227 4.567 4.340 -0.001 0.000 0.274 34 L C -0.098 176.850 176.870 0.130 0.000 1.201 34 L CA 0.529 55.381 54.840 0.019 0.000 0.869 34 L CB 0.340 42.416 42.059 0.028 0.000 1.123 34 L HN 0.221 nan 8.230 nan 0.000 0.484 35 I N 2.279 122.872 120.570 0.039 0.000 2.478 35 I HA 0.307 4.477 4.170 -0.001 0.000 0.287 35 I C -0.580 175.464 176.117 -0.122 0.000 1.042 35 I CA -0.231 61.066 61.300 -0.006 0.000 1.067 35 I CB 2.135 40.112 38.000 -0.040 0.000 1.233 35 I HN 0.506 nan 8.210 nan 0.000 0.431 36 T N 5.298 119.783 114.554 -0.115 0.000 2.848 36 T HA 0.550 4.900 4.350 -0.001 0.000 0.285 36 T C -0.498 174.093 174.700 -0.181 0.000 0.995 36 T CA -0.530 61.479 62.100 -0.151 0.000 0.970 36 T CB 2.248 71.079 68.868 -0.061 0.000 0.976 36 T HN 0.146 nan 8.240 nan 0.000 0.441 37 V N 3.534 123.295 119.914 -0.255 0.000 2.448 37 V HA 0.475 4.595 4.120 -0.001 0.000 0.295 37 V C -0.281 175.798 176.094 -0.026 0.000 1.025 37 V CA -0.791 61.398 62.300 -0.184 0.000 0.859 37 V CB 1.899 33.506 31.823 -0.359 0.000 0.988 37 V HN 0.732 nan 8.190 nan 0.000 0.431 38 V N 3.906 123.820 119.914 0.001 0.000 2.350 38 V HA 0.740 4.860 4.120 -0.001 0.000 0.276 38 V C 0.682 176.812 176.094 0.061 0.000 1.028 38 V CA -0.219 62.103 62.300 0.037 0.000 0.860 38 V CB 1.431 33.263 31.823 0.014 0.000 0.990 38 V HN 0.970 nan 8.190 nan 0.000 0.453 39 G N 2.753 111.610 108.800 0.095 0.000 2.557 39 G HA2 0.468 4.427 3.960 -0.001 0.000 0.310 39 G HA3 0.468 4.427 3.960 -0.001 0.000 0.310 39 G C 0.398 175.339 174.900 0.068 0.000 1.328 39 G CA -0.351 44.802 45.100 0.088 0.000 0.945 39 G HN 0.729 nan 8.290 nan 0.000 0.494 40 D N 1.581 122.009 120.400 0.047 0.000 2.219 40 D HA -0.111 4.528 4.640 -0.001 0.000 0.205 40 D C 0.543 176.872 176.300 0.049 0.000 0.970 40 D CA 0.721 54.746 54.000 0.043 0.000 0.851 40 D CB 0.060 40.879 40.800 0.031 0.000 0.943 40 D HN 0.506 nan 8.370 nan 0.000 0.488 41 E N 0.146 120.380 120.200 0.058 0.000 2.316 41 E HA 0.381 4.730 4.350 -0.001 0.000 0.275 41 E C -0.357 176.288 176.600 0.075 0.000 1.029 41 E CA -0.277 56.168 56.400 0.075 0.000 0.871 41 E CB 1.141 30.912 29.700 0.118 0.000 1.022 41 E HN 0.238 nan 8.360 nan 0.000 0.418 42 A N 4.825 127.681 122.820 0.060 0.000 3.118 42 A HA 0.076 4.395 4.320 -0.001 0.000 0.256 42 A C -0.308 177.302 177.584 0.043 0.000 1.667 42 A CA -0.038 52.028 52.037 0.049 0.000 1.338 42 A CB -0.058 18.963 19.000 0.035 0.000 1.127 42 A HN 0.410 nan 8.150 nan 0.000 0.634 43 E N 0.304 120.544 120.200 0.066 0.000 2.308 43 E HA 0.212 4.562 4.350 -0.001 0.000 0.275 43 E C -0.656 175.983 176.600 0.065 0.000 0.890 43 E CA -0.853 55.586 56.400 0.065 0.000 0.754 43 E CB 1.694 31.470 29.700 0.126 0.000 1.207 43 E HN 0.593 nan 8.360 nan 0.000 0.426 44 R N 2.715 123.222 120.500 0.012 0.000 2.494 44 R HA 0.035 4.375 4.340 -0.001 0.000 0.291 44 R C -2.192 174.116 176.300 0.013 0.000 0.953 44 R CA -0.515 55.556 56.100 -0.047 0.000 1.098 44 R CB -0.026 30.239 30.300 -0.057 0.000 0.911 44 R HN 0.088 nan 8.270 nan 0.000 0.407 45 P HA -0.067 nan 4.420 nan 0.000 0.263 45 P C -1.553 175.749 177.300 0.003 0.000 1.175 45 P CA 0.735 63.761 63.100 -0.123 0.000 0.761 45 P CB 0.156 31.663 31.700 -0.321 0.000 0.794 46 Y N -0.377 119.876 120.300 -0.078 0.000 2.615 46 Y HA 0.693 5.242 4.550 -0.001 0.000 0.341 46 Y C -0.848 175.052 175.900 -0.000 0.000 1.089 46 Y CA -1.589 56.482 58.100 -0.047 0.000 1.049 46 Y CB 1.020 39.434 38.460 -0.077 0.000 1.296 46 Y HN 0.086 nan 8.280 nan 0.000 0.470 47 D N 0.744 121.251 120.400 0.180 0.000 2.210 47 D HA 0.366 5.005 4.640 -0.001 0.000 0.249 47 D C 0.480 176.919 176.300 0.232 0.000 1.062 47 D CA -0.472 53.638 54.000 0.183 0.000 0.891 47 D CB 1.544 42.519 40.800 0.291 0.000 1.186 47 D HN 0.726 nan 8.370 nan 0.000 0.432 48 R N 2.819 123.423 120.500 0.173 0.000 2.127 48 R HA 0.024 4.363 4.340 -0.001 0.000 0.217 48 R C -0.959 175.432 176.300 0.151 0.000 1.074 48 R CA 0.563 56.760 56.100 0.160 0.000 0.991 48 R CB -0.696 29.651 30.300 0.079 0.000 0.895 48 R HN 0.393 nan 8.270 nan 0.000 0.450 49 P HA -0.101 nan 4.420 nan 0.000 0.216 49 P C -1.576 175.813 177.300 0.149 0.000 1.150 49 P CA 1.410 64.595 63.100 0.142 0.000 0.843 49 P CB -0.779 31.056 31.700 0.226 0.000 0.787 50 P HA -0.078 nan 4.420 nan 0.000 0.222 50 P C 1.266 178.680 177.300 0.191 0.000 1.147 50 P CA 0.968 64.177 63.100 0.181 0.000 0.790 50 P CB -0.560 31.259 31.700 0.198 0.000 0.780 51 L N -0.568 120.737 121.223 0.136 0.000 2.187 51 L HA -0.139 4.200 4.340 -0.001 0.000 0.213 51 L C 2.020 178.975 176.870 0.141 0.000 1.100 51 L CA 1.857 56.773 54.840 0.126 0.000 0.765 51 L CB -1.016 41.065 42.059 0.037 0.000 0.904 51 L HN 0.143 nan 8.230 nan 0.000 0.437 52 S N -2.285 113.475 115.700 0.101 0.000 2.556 52 S HA 0.087 4.556 4.470 -0.001 0.000 0.216 52 S C 0.999 175.640 174.600 0.068 0.000 0.970 52 S CA -0.259 57.984 58.200 0.071 0.000 0.912 52 S CB 0.491 63.715 63.200 0.041 0.000 0.790 52 S HN 0.410 nan 8.310 nan 0.000 0.504 53 K N 0.727 121.181 120.400 0.088 0.000 4.144 53 K HA 0.268 4.588 4.320 -0.001 0.000 0.297 53 K C 0.239 176.855 176.600 0.027 0.000 1.142 53 K CA 0.195 56.519 56.287 0.063 0.000 1.670 53 K CB -0.247 32.308 32.500 0.091 0.000 3.147 53 K HN -0.104 nan 8.250 nan 0.000 0.874 54 D N 0.785 121.227 120.400 0.069 0.000 2.149 54 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 54 D C 1.564 177.890 176.300 0.044 0.000 0.990 54 D CA 1.137 55.169 54.000 0.055 0.000 0.839 54 D CB -0.122 40.839 40.800 0.268 0.000 0.948 54 D HN 0.225 nan 8.370 nan 0.000 0.460 55 F N 0.564 120.530 119.950 0.027 0.000 2.113 55 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 55 F C 2.231 178.008 175.800 -0.038 0.000 1.103 55 F CA 1.000 59.010 58.000 0.016 0.000 1.248 55 F CB -0.245 38.765 39.000 0.017 0.000 0.999 55 F HN -0.166 nan 8.300 nan 0.000 0.475 56 M N 0.620 120.253 119.600 0.055 0.000 2.260 56 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 56 M C 1.852 178.027 176.300 -0.208 0.000 1.066 56 M CA 1.961 57.230 55.300 -0.051 0.000 1.082 56 M CB -0.792 31.820 32.600 0.020 0.000 1.388 56 M HN 0.242 nan 8.290 nan 0.000 0.419 57 A N -2.489 120.160 122.820 -0.285 0.000 2.035 57 A HA 0.066 4.385 4.320 -0.001 0.000 0.208 57 A C 1.684 179.000 177.584 -0.448 0.000 1.206 57 A CA 0.614 52.415 52.037 -0.394 0.000 0.773 57 A CB -0.461 18.244 19.000 -0.492 0.000 0.878 57 A HN 0.625 nan 8.150 nan 0.000 0.469 58 H N -1.436 117.525 119.070 -0.182 0.000 2.681 58 H HA 0.236 4.791 4.556 -0.001 0.000 0.268 58 H C 1.637 176.795 175.328 -0.284 0.000 0.967 58 H CA 0.578 56.524 56.048 -0.170 0.000 1.233 58 H CB 0.126 29.837 29.762 -0.084 0.000 1.445 58 H HN 0.581 nan 8.280 nan 0.000 0.494 59 G N 1.852 110.347 108.800 -0.509 0.000 2.179 59 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.257 59 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.257 59 G C -0.263 174.438 174.900 -0.332 0.000 1.010 59 G CA 0.612 45.185 45.100 -0.879 0.000 0.736 59 G HN 0.431 nan 8.290 nan 0.000 0.513 60 D N 0.109 120.498 120.400 -0.019 0.000 2.454 60 D HA 0.671 5.310 4.640 -0.001 0.000 0.225 60 D C 1.299 177.783 176.300 0.307 0.000 1.081 60 D CA 0.243 54.331 54.000 0.146 0.000 0.864 60 D CB 0.660 41.507 40.800 0.077 0.000 1.040 60 D HN 0.299 nan 8.370 nan 0.000 0.517 61 A N 4.032 127.044 122.820 0.320 0.000 2.121 61 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 61 A C 1.555 179.177 177.584 0.063 0.000 1.154 61 A CA 0.804 52.925 52.037 0.140 0.000 0.679 61 A CB -0.046 18.944 19.000 -0.016 0.000 0.795 61 A HN 0.453 nan 8.150 nan 0.000 0.458 62 E N 0.365 120.608 120.200 0.071 0.000 2.511 62 E HA -0.034 4.315 4.350 -0.001 0.000 0.196 62 E C 1.093 177.725 176.600 0.053 0.000 1.066 62 E CA 0.579 57.005 56.400 0.043 0.000 0.871 62 E CB -0.136 29.582 29.700 0.030 0.000 0.863 62 E HN 0.656 nan 8.360 nan 0.000 0.520 63 K N 0.557 121.006 120.400 0.081 0.000 2.404 63 K HA 0.165 4.485 4.320 -0.001 0.000 0.194 63 K C 1.684 178.340 176.600 0.094 0.000 1.023 63 K CA 0.292 56.628 56.287 0.081 0.000 1.094 63 K CB 0.344 32.899 32.500 0.091 0.000 0.841 63 K HN 0.198 nan 8.250 nan 0.000 0.523 64 I N -2.638 117.990 120.570 0.096 0.000 4.147 64 I HA 0.238 4.408 4.170 -0.001 0.000 0.329 64 I C -0.280 175.911 176.117 0.124 0.000 1.424 64 I CA -0.730 60.638 61.300 0.114 0.000 1.127 64 I CB 0.373 38.439 38.000 0.111 0.000 1.128 64 I HN -0.206 nan 8.210 nan 0.000 0.417 65 R N 2.067 122.619 120.500 0.086 0.000 2.594 65 R HA 0.455 4.795 4.340 -0.001 0.000 0.272 65 R C -0.331 176.007 176.300 0.062 0.000 1.074 65 R CA -0.419 55.725 56.100 0.074 0.000 1.105 65 R CB 1.087 31.400 30.300 0.023 0.000 1.008 65 R HN 0.310 nan 8.270 nan 0.000 0.472 66 L N 1.365 122.607 121.223 0.031 0.000 2.371 66 L HA 0.079 4.419 4.340 -0.001 0.000 0.272 66 L C 0.637 177.498 176.870 -0.015 0.000 1.124 66 L CA -0.470 54.381 54.840 0.018 0.000 0.816 66 L CB 0.497 42.543 42.059 -0.023 0.000 1.129 66 L HN 0.434 nan 8.230 nan 0.000 0.448 67 D N 1.351 121.762 120.400 0.020 0.000 2.352 67 D HA 0.092 4.731 4.640 -0.001 0.000 0.245 67 D C 0.164 176.472 176.300 0.014 0.000 1.224 67 D CA -0.256 53.753 54.000 0.015 0.000 0.879 67 D CB 0.804 41.629 40.800 0.041 0.000 1.057 67 D HN 0.451 nan 8.370 nan 0.000 0.491 68 C N 4.609 123.900 119.300 -0.015 0.000 2.693 68 C HA 0.072 4.532 4.460 -0.001 0.000 0.286 68 C C 2.090 177.139 174.990 0.098 0.000 1.277 68 C CA -0.438 58.604 59.018 0.041 0.000 1.705 68 C CB -1.030 26.662 27.740 -0.080 0.000 1.879 68 C HN 0.684 nan 8.230 nan 0.000 0.607 69 K N 1.033 121.470 120.400 0.061 0.000 2.296 69 K HA -0.009 4.311 4.320 -0.001 0.000 0.200 69 K C 1.568 178.207 176.600 0.065 0.000 1.048 69 K CA 0.859 57.183 56.287 0.062 0.000 0.966 69 K CB -0.199 32.326 32.500 0.040 0.000 0.754 69 K HN 0.405 nan 8.250 nan 0.000 0.466 70 R N 0.647 121.187 120.500 0.066 0.000 2.323 70 R HA 0.111 4.450 4.340 -0.001 0.000 0.198 70 R C 0.275 176.615 176.300 0.066 0.000 0.988 70 R CA 0.451 56.584 56.100 0.055 0.000 1.041 70 R CB 0.355 30.683 30.300 0.046 0.000 0.926 70 R HN 0.209 nan 8.270 nan 0.000 0.476 71 A N 2.191 125.079 122.820 0.113 0.000 3.215 71 A HA 0.301 4.620 4.320 -0.001 0.000 0.320 71 A C -2.358 175.312 177.584 0.144 0.000 1.084 71 A CA -1.500 50.620 52.037 0.138 0.000 0.969 71 A CB 0.092 19.245 19.000 0.255 0.000 1.064 71 A HN -0.047 nan 8.150 nan 0.000 0.513 72 P HA 0.163 nan 4.420 nan 0.000 0.272 72 P C -0.274 177.052 177.300 0.042 0.000 1.230 72 P CA 0.513 63.656 63.100 0.071 0.000 0.788 72 P CB 0.548 32.270 31.700 0.036 0.000 0.949 73 E N -2.118 118.108 120.200 0.044 0.000 2.416 73 E HA -0.108 4.241 4.350 -0.001 0.000 0.249 73 E C -0.735 175.844 176.600 -0.035 0.000 1.124 73 E CA 0.552 56.954 56.400 0.003 0.000 0.732 73 E CB -2.178 27.506 29.700 -0.028 0.000 1.286 73 E HN 0.238 nan 8.360 nan 0.000 0.394 74 V N 0.676 120.568 119.914 -0.036 0.000 2.459 74 V HA 0.271 4.390 4.120 -0.001 0.000 0.295 74 V C 0.499 176.433 176.094 -0.266 0.000 1.029 74 V CA -0.599 61.551 62.300 -0.249 0.000 0.874 74 V CB 1.895 33.413 31.823 -0.509 0.000 0.985 74 V HN 0.197 nan 8.190 nan 0.000 0.438 75 E N 3.969 124.012 120.200 -0.261 0.000 2.130 75 E HA 0.261 4.610 4.350 -0.001 0.000 0.284 75 E C -1.524 174.934 176.600 -0.236 0.000 1.018 75 E CA -0.481 55.838 56.400 -0.134 0.000 0.817 75 E CB 0.636 30.308 29.700 -0.048 0.000 1.078 75 E HN 0.608 nan 8.360 nan 0.000 0.396 76 W N 5.898 127.213 121.300 0.024 0.000 2.291 76 W HA 0.311 4.971 4.660 -0.000 0.000 0.312 76 W C -0.599 175.933 176.519 0.022 0.000 1.061 76 W CA -0.655 56.704 57.345 0.023 0.000 1.296 76 W CB 0.633 30.107 29.460 0.023 0.000 1.223 76 W HN 0.396 nan 8.180 nan 0.000 0.421 77 L N 5.845 127.181 121.223 0.188 0.000 2.358 77 L HA 0.288 4.628 4.340 -0.001 0.000 0.274 77 L C 0.015 176.968 176.870 0.138 0.000 1.136 77 L CA -0.325 54.593 54.840 0.130 0.000 0.970 77 L CB -0.421 41.683 42.059 0.075 0.000 1.314 77 L HN 0.311 nan 8.230 nan 0.000 0.427 78 L N 2.346 123.654 121.223 0.141 0.000 2.375 78 L HA 0.450 4.790 4.340 -0.001 0.000 0.271 78 L C 1.318 178.235 176.870 0.079 0.000 1.107 78 L CA -0.135 54.773 54.840 0.113 0.000 0.806 78 L CB 1.017 43.135 42.059 0.098 0.000 1.146 78 L HN 0.769 nan 8.230 nan 0.000 0.447 79 G N 2.231 111.072 108.800 0.068 0.000 2.143 79 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.248 79 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.248 79 G C -0.266 174.663 174.900 0.049 0.000 0.991 79 G CA -0.016 45.116 45.100 0.053 0.000 0.689 79 G HN 0.372 nan 8.290 nan 0.000 0.522 80 V N 0.384 120.330 119.914 0.053 0.000 2.604 80 V HA 0.704 4.823 4.120 -0.001 0.000 0.305 80 V C 0.319 176.438 176.094 0.042 0.000 1.043 80 V CA -0.380 61.948 62.300 0.047 0.000 0.888 80 V CB 2.052 33.905 31.823 0.050 0.000 0.995 80 V HN 0.252 nan 8.190 nan 0.000 0.429 81 T N 3.917 118.493 114.554 0.037 0.000 2.767 81 T HA 0.586 4.936 4.350 -0.001 0.000 0.284 81 T C 0.263 174.985 174.700 0.037 0.000 0.973 81 T CA -0.178 61.942 62.100 0.034 0.000 0.996 81 T CB 1.415 70.301 68.868 0.029 0.000 0.927 81 T HN 0.944 nan 8.240 nan 0.000 0.456 82 A N 3.304 126.147 122.820 0.038 0.000 2.451 82 A HA 0.201 4.521 4.320 -0.001 0.000 0.266 82 A C 1.122 178.741 177.584 0.057 0.000 1.119 82 A CA -0.124 51.944 52.037 0.052 0.000 0.786 82 A CB 0.187 19.217 19.000 0.051 0.000 1.061 82 A HN 0.967 nan 8.150 nan 0.000 0.503 83 Q N 1.048 120.883 119.800 0.059 0.000 2.297 83 Q HA 0.111 4.450 4.340 -0.001 0.000 0.203 83 Q C 0.340 176.367 176.000 0.044 0.000 0.931 83 Q CA 1.034 56.863 55.803 0.044 0.000 0.885 83 Q CB 0.244 29.002 28.738 0.033 0.000 0.991 83 Q HN 0.977 nan 8.270 nan 0.000 0.498 84 S N -0.650 115.094 115.700 0.073 0.000 2.595 84 S HA 0.585 5.054 4.470 -0.001 0.000 0.270 84 S C -1.253 173.451 174.600 0.173 0.000 1.145 84 S CA -1.129 57.101 58.200 0.050 0.000 0.825 84 S CB 0.879 64.068 63.200 -0.017 0.000 1.107 84 S HN 0.250 nan 8.310 nan 0.000 0.461 85 F N -0.343 119.621 119.950 0.022 0.000 2.588 85 F HA 0.833 5.359 4.527 -0.001 0.000 0.314 85 F C -1.071 174.763 175.800 0.057 0.000 1.069 85 F CA -0.801 57.236 58.000 0.060 0.000 0.931 85 F CB 1.479 40.519 39.000 0.066 0.000 1.260 85 F HN 0.586 nan 8.300 nan 0.000 0.465 86 D N 3.834 124.375 120.400 0.234 0.000 2.460 86 D HA 0.341 4.981 4.640 -0.001 0.000 0.232 86 D C -2.013 174.381 176.300 0.157 0.000 1.079 86 D CA -2.542 51.509 54.000 0.086 0.000 0.864 86 D CB 2.016 42.848 40.800 0.054 0.000 1.048 86 D HN 0.336 nan 8.370 nan 0.000 0.523 87 P HA -0.033 nan 4.420 nan 0.000 0.236 87 P C 0.905 178.096 177.300 -0.182 0.000 1.177 87 P CA 0.657 63.810 63.100 0.088 0.000 0.773 87 P CB 0.762 32.578 31.700 0.194 0.000 0.878 88 Q N 0.021 119.790 119.800 -0.051 0.000 2.089 88 Q HA 0.074 4.414 4.340 -0.001 0.000 0.195 88 Q C 2.280 178.339 176.000 0.097 0.000 0.963 88 Q CA 1.347 57.160 55.803 0.018 0.000 0.834 88 Q CB -0.473 28.281 28.738 0.028 0.000 0.906 88 Q HN 0.169 nan 8.270 nan 0.000 0.452 89 A N 0.138 122.985 122.820 0.045 0.000 2.119 89 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 89 A C -0.376 177.239 177.584 0.051 0.000 1.152 89 A CA 0.558 52.630 52.037 0.058 0.000 0.708 89 A CB -0.416 18.602 19.000 0.031 0.000 0.805 89 A HN 0.522 nan 8.150 nan 0.000 0.460 90 H N 0.074 119.008 119.070 -0.228 0.000 2.748 90 H HA -0.115 4.441 4.556 -0.000 0.000 0.322 90 H C 0.163 175.142 175.328 -0.582 0.000 1.208 90 H CA 0.806 56.394 56.048 -0.767 0.000 1.151 90 H CB -2.149 27.154 29.762 -0.765 0.000 1.505 90 H HN 0.685 nan 8.280 nan 0.000 0.429 91 T N -3.018 111.520 114.554 -0.027 0.000 2.896 91 T HA 0.776 5.126 4.350 -0.001 0.000 0.297 91 T C -0.348 174.556 174.700 0.340 0.000 1.108 91 T CA -0.752 61.446 62.100 0.164 0.000 1.004 91 T CB 2.656 71.580 68.868 0.094 0.000 1.159 91 T HN 0.092 nan 8.240 nan 0.000 0.499 92 V N 1.092 121.170 119.914 0.275 0.000 2.588 92 V HA 0.783 4.902 4.120 -0.001 0.000 0.304 92 V C 0.242 176.423 176.094 0.146 0.000 1.042 92 V CA -1.078 61.362 62.300 0.233 0.000 0.877 92 V CB 1.460 33.383 31.823 0.166 0.000 0.996 92 V HN 1.335 nan 8.190 nan 0.000 0.425 93 A N 6.033 128.929 122.820 0.126 0.000 2.289 93 A HA 0.836 5.156 4.320 -0.001 0.000 0.298 93 A C -0.564 177.062 177.584 0.070 0.000 1.208 93 A CA -0.357 51.730 52.037 0.082 0.000 0.845 93 A CB 0.291 19.330 19.000 0.064 0.000 1.125 93 A HN 0.806 nan 8.150 nan 0.000 0.517 94 L N 2.261 123.518 121.223 0.057 0.000 2.334 94 L HA 0.344 4.684 4.340 -0.001 0.000 0.272 94 L C 1.658 178.552 176.870 0.039 0.000 1.020 94 L CA -0.364 54.505 54.840 0.048 0.000 0.812 94 L CB 1.898 43.984 42.059 0.046 0.000 1.264 94 L HN 0.921 nan 8.230 nan 0.000 0.439 95 S N -0.859 114.863 115.700 0.036 0.000 2.442 95 S HA -0.169 4.300 4.470 -0.001 0.000 0.236 95 S C 1.003 175.620 174.600 0.029 0.000 1.007 95 S CA 1.092 59.310 58.200 0.030 0.000 0.965 95 S CB -0.440 62.777 63.200 0.029 0.000 0.773 95 S HN 0.852 nan 8.310 nan 0.000 0.504 96 D N 0.213 120.632 120.400 0.031 0.000 2.328 96 D HA 0.277 4.917 4.640 -0.001 0.000 0.226 96 D C 1.398 177.714 176.300 0.027 0.000 1.066 96 D CA 0.581 54.598 54.000 0.029 0.000 0.861 96 D CB -0.487 40.331 40.800 0.031 0.000 0.912 96 D HN 0.561 nan 8.370 nan 0.000 0.521 97 G N -0.113 108.704 108.800 0.028 0.000 2.213 97 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.236 97 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.236 97 G C 0.396 175.313 174.900 0.029 0.000 0.991 97 G CA -0.272 44.844 45.100 0.026 0.000 0.629 97 G HN 0.325 nan 8.290 nan 0.000 0.517 98 R N 0.750 121.269 120.500 0.032 0.000 2.577 98 R HA 0.662 5.002 4.340 -0.001 0.000 0.269 98 R C -0.195 176.130 176.300 0.043 0.000 1.084 98 R CA 0.171 56.292 56.100 0.035 0.000 1.163 98 R CB 0.249 30.570 30.300 0.035 0.000 1.100 98 R HN 0.203 nan 8.270 nan 0.000 0.547 99 T N 1.697 116.279 114.554 0.045 0.000 2.841 99 T HA 0.520 4.870 4.350 -0.001 0.000 0.283 99 T C -0.104 174.633 174.700 0.063 0.000 1.000 99 T CA -0.629 61.506 62.100 0.058 0.000 0.977 99 T CB 1.406 70.306 68.868 0.053 0.000 0.979 99 T HN 0.202 nan 8.240 nan 0.000 0.446 100 L N 5.049 126.322 121.223 0.085 0.000 2.307 100 L HA 0.517 4.856 4.340 -0.001 0.000 0.284 100 L C -2.092 174.854 176.870 0.127 0.000 1.023 100 L CA -2.302 52.593 54.840 0.092 0.000 0.810 100 L CB 1.918 44.033 42.059 0.092 0.000 1.231 100 L HN 0.359 nan 8.230 nan 0.000 0.423 101 P HA 0.247 nan 4.420 nan 0.000 0.281 101 P C -1.776 175.628 177.300 0.173 0.000 1.249 101 P CA -0.249 62.903 63.100 0.086 0.000 0.810 101 P CB 1.034 32.757 31.700 0.037 0.000 1.008 102 Y N -2.169 118.184 120.300 0.088 0.000 2.534 102 Y HA 0.691 5.241 4.550 -0.000 0.000 0.345 102 Y C 0.831 176.802 175.900 0.117 0.000 1.031 102 Y CA -0.969 57.180 58.100 0.082 0.000 1.022 102 Y CB 0.686 39.177 38.460 0.052 0.000 1.292 102 Y HN 0.391 nan 8.280 nan 0.000 0.459 103 G N 0.608 109.567 108.800 0.264 0.000 2.510 103 G HA2 0.245 4.205 3.960 -0.001 0.000 0.212 103 G HA3 0.245 4.205 3.960 -0.001 0.000 0.212 103 G C -0.285 174.844 174.900 0.383 0.000 1.151 103 G CA 0.488 45.706 45.100 0.196 0.000 0.817 103 G HN 0.591 nan 8.290 nan 0.000 0.534 104 T N 0.440 115.212 114.554 0.363 0.000 2.879 104 T HA 0.505 4.855 4.350 -0.001 0.000 0.290 104 T C -1.608 173.092 174.700 0.001 0.000 0.993 104 T CA -0.396 61.841 62.100 0.229 0.000 0.975 104 T CB 2.463 71.358 68.868 0.044 0.000 0.981 104 T HN 0.094 nan 8.240 nan 0.000 0.439 105 L N 4.582 125.630 121.223 -0.292 0.000 2.322 105 L HA 0.812 5.151 4.340 -0.001 0.000 0.281 105 L C -1.180 175.448 176.870 -0.404 0.000 1.014 105 L CA -0.523 53.901 54.840 -0.693 0.000 0.815 105 L CB 1.425 42.570 42.059 -1.524 0.000 1.247 105 L HN 0.467 nan 8.230 nan 0.000 0.421 106 V N 6.398 126.070 119.914 -0.403 0.000 2.444 106 V HA 0.410 4.530 4.120 -0.001 0.000 0.294 106 V C -0.240 175.627 176.094 -0.379 0.000 1.022 106 V CA -0.579 61.480 62.300 -0.402 0.000 0.850 106 V CB 1.597 33.032 31.823 -0.646 0.000 0.992 106 V HN 0.575 nan 8.190 nan 0.000 0.426 107 L N 4.502 125.534 121.223 -0.318 0.000 2.259 107 L HA 0.698 5.038 4.340 -0.001 0.000 0.288 107 L C 0.595 177.336 176.870 -0.215 0.000 1.051 107 L CA -0.216 54.476 54.840 -0.247 0.000 0.824 107 L CB 1.228 43.169 42.059 -0.197 0.000 1.206 107 L HN 0.760 nan 8.230 nan 0.000 0.429 108 A N 1.194 123.897 122.820 -0.195 0.000 2.959 108 A HA 0.282 4.602 4.320 -0.001 0.000 0.280 108 A C 0.987 178.500 177.584 -0.120 0.000 0.953 108 A CA -0.264 51.669 52.037 -0.172 0.000 1.047 108 A CB -0.185 18.699 19.000 -0.194 0.000 1.147 108 A HN 0.704 nan 8.150 nan 0.000 0.489 109 T N -3.338 111.155 114.554 -0.102 0.000 3.107 109 T HA 0.438 4.788 4.350 -0.001 0.000 0.249 109 T C 1.373 176.031 174.700 -0.071 0.000 1.096 109 T CA 0.903 62.960 62.100 -0.073 0.000 1.012 109 T CB -0.155 68.681 68.868 -0.053 0.000 0.977 109 T HN 1.859 nan 8.240 nan 0.000 0.527 110 G N 1.719 110.467 108.800 -0.087 0.000 2.566 110 G HA2 0.181 4.141 3.960 -0.001 0.000 0.280 110 G HA3 0.181 4.141 3.960 -0.001 0.000 0.280 110 G C -0.065 174.791 174.900 -0.073 0.000 1.225 110 G CA -0.079 44.969 45.100 -0.086 0.000 0.966 110 G HN 1.523 nan 8.290 nan 0.000 0.560 111 A N -1.345 121.435 122.820 -0.066 0.000 2.587 111 A HA 1.047 5.367 4.320 -0.001 0.000 0.293 111 A C -0.027 177.530 177.584 -0.044 0.000 1.087 111 A CA 0.553 52.556 52.037 -0.057 0.000 0.692 111 A CB 1.296 20.258 19.000 -0.064 0.000 1.291 111 A HN 2.611 nan 8.150 nan 0.000 0.407 112 A N 1.302 124.101 122.820 -0.035 0.000 2.355 112 A HA 0.902 5.221 4.320 -0.001 0.000 0.324 112 A C -2.946 174.624 177.584 -0.023 0.000 1.117 112 A CA -1.949 50.074 52.037 -0.023 0.000 0.785 112 A CB 0.702 19.692 19.000 -0.017 0.000 1.254 112 A HN 0.487 nan 8.150 nan 0.000 0.453 113 P HA 0.172 nan 4.420 nan 0.000 0.268 113 P C -0.377 176.914 177.300 -0.014 0.000 1.204 113 P CA -0.093 62.998 63.100 -0.015 0.000 0.768 113 P CB 0.396 32.093 31.700 -0.004 0.000 0.842 114 R N 2.365 122.854 120.500 -0.018 0.000 2.438 114 R HA 0.512 4.851 4.340 -0.001 0.000 0.287 114 R C -0.146 176.146 176.300 -0.013 0.000 1.077 114 R CA -0.319 55.772 56.100 -0.016 0.000 1.034 114 R CB 0.283 30.572 30.300 -0.018 0.000 0.993 114 R HN 0.537 nan 8.270 nan 0.000 0.459 115 A N 3.903 126.716 122.820 -0.012 0.000 2.279 115 A HA 0.332 4.651 4.320 -0.001 0.000 0.303 115 A C -1.034 176.542 177.584 -0.014 0.000 1.108 115 A CA -0.680 51.349 52.037 -0.012 0.000 0.830 115 A CB 0.852 19.845 19.000 -0.012 0.000 1.106 115 A HN 0.595 nan 8.150 nan 0.000 0.493 116 L N 2.902 124.115 121.223 -0.016 0.000 2.283 116 L HA 0.418 4.758 4.340 -0.001 0.000 0.287 116 L C -1.760 175.100 176.870 -0.016 0.000 1.073 116 L CA -1.750 53.080 54.840 -0.016 0.000 0.822 116 L CB 1.017 43.065 42.059 -0.019 0.000 1.186 116 L HN 0.426 nan 8.230 nan 0.000 0.436 117 P HA -0.095 nan 4.420 nan 0.000 0.218 117 P C 1.216 178.509 177.300 -0.012 0.000 1.149 117 P CA 1.316 64.409 63.100 -0.012 0.000 0.817 117 P CB 0.056 31.750 31.700 -0.009 0.000 0.785 118 T N -3.581 110.965 114.554 -0.013 0.000 3.085 118 T HA 0.041 4.390 4.350 -0.001 0.000 0.263 118 T C 1.359 176.049 174.700 -0.016 0.000 1.127 118 T CA 0.668 62.760 62.100 -0.013 0.000 1.103 118 T CB -0.759 68.102 68.868 -0.012 0.000 0.921 118 T HN 0.073 nan 8.240 nan 0.000 0.510 119 L N 0.038 121.249 121.223 -0.019 0.000 2.769 119 L HA 0.342 4.681 4.340 -0.001 0.000 0.240 119 L C 2.352 179.207 176.870 -0.026 0.000 1.163 119 L CA -0.099 54.726 54.840 -0.024 0.000 0.962 119 L CB 0.035 42.076 42.059 -0.029 0.000 1.258 119 L HN 0.179 nan 8.230 nan 0.000 0.513 120 Q N 1.179 120.966 119.800 -0.021 0.000 2.135 120 Q HA -0.104 4.235 4.340 -0.001 0.000 0.204 120 Q C 1.633 177.620 176.000 -0.021 0.000 0.981 120 Q CA 1.631 57.422 55.803 -0.020 0.000 0.856 120 Q CB -0.022 28.706 28.738 -0.015 0.000 0.902 120 Q HN 0.384 nan 8.270 nan 0.000 0.425 121 G N -1.139 107.649 108.800 -0.020 0.000 4.098 121 G HA2 0.569 4.529 3.960 -0.001 0.000 0.300 121 G HA3 0.569 4.529 3.960 -0.001 0.000 0.300 121 G C -0.459 174.428 174.900 -0.022 0.000 1.187 121 G CA 0.148 45.237 45.100 -0.019 0.000 0.964 121 G HN 0.390 nan 8.290 nan 0.000 0.559 122 A N 0.074 122.877 122.820 -0.028 0.000 2.332 122 A HA 0.623 4.942 4.320 -0.001 0.000 0.258 122 A C 1.316 178.880 177.584 -0.033 0.000 1.087 122 A CA 0.423 52.441 52.037 -0.031 0.000 0.802 122 A CB 0.615 19.593 19.000 -0.038 0.000 1.042 122 A HN 0.567 nan 8.150 nan 0.000 0.489 123 T N -1.484 113.052 114.554 -0.030 0.000 3.132 123 T HA 0.371 4.721 4.350 -0.001 0.000 0.274 123 T C 0.372 175.054 174.700 -0.030 0.000 1.011 123 T CA 0.161 62.245 62.100 -0.027 0.000 0.899 123 T CB -0.765 68.091 68.868 -0.019 0.000 1.089 123 T HN 0.725 nan 8.240 nan 0.000 0.543 124 M N 0.165 119.742 119.600 -0.038 0.000 2.706 124 M HA 0.767 5.246 4.480 -0.001 0.000 0.304 124 M C -2.943 173.315 176.300 -0.070 0.000 1.217 124 M CA -2.285 52.991 55.300 -0.039 0.000 0.922 124 M CB 0.561 33.143 32.600 -0.030 0.000 1.637 124 M HN -0.328 nan 8.290 nan 0.000 0.492 125 P HA 0.288 nan 4.420 nan 0.000 0.271 125 P C -1.276 175.882 177.300 -0.236 0.000 1.226 125 P CA -0.232 62.770 63.100 -0.163 0.000 0.765 125 P CB 0.625 32.312 31.700 -0.022 0.000 0.835 126 V N 4.773 124.437 119.914 -0.417 0.000 2.623 126 V HA 0.361 4.480 4.120 -0.001 0.000 0.304 126 V C -0.345 175.472 176.094 -0.461 0.000 1.054 126 V CA -0.542 61.581 62.300 -0.294 0.000 0.882 126 V CB 1.596 33.329 31.823 -0.151 0.000 1.002 126 V HN 0.628 nan 8.190 nan 0.000 0.424 127 H N 1.677 120.746 119.070 -0.002 0.000 2.821 127 H HA 0.671 5.227 4.556 -0.001 0.000 0.373 127 H C -0.235 175.092 175.328 -0.002 0.000 1.165 127 H CA -0.481 55.568 56.048 0.001 0.000 1.154 127 H CB 2.618 32.383 29.762 0.005 0.000 1.765 127 H HN 0.709 nan 8.280 nan 0.000 0.549 128 T N -0.729 113.905 114.554 0.133 0.000 2.948 128 T HA 0.477 4.826 4.350 -0.001 0.000 0.285 128 T C -0.266 174.477 174.700 0.071 0.000 1.019 128 T CA -0.969 61.175 62.100 0.073 0.000 1.013 128 T CB 1.445 70.336 68.868 0.039 0.000 1.117 128 T HN 0.200 nan 8.240 nan 0.000 0.533 129 L N 1.058 122.305 121.223 0.040 0.000 2.417 129 L HA 0.693 5.032 4.340 -0.001 0.000 0.259 129 L C 0.371 177.255 176.870 0.024 0.000 1.023 129 L CA -0.398 54.461 54.840 0.031 0.000 0.901 129 L CB 1.134 43.208 42.059 0.026 0.000 1.227 129 L HN 0.836 nan 8.230 nan 0.000 0.454 130 R N 1.294 121.812 120.500 0.031 0.000 2.551 130 R HA 0.345 4.685 4.340 -0.001 0.000 0.202 130 R C 0.165 176.505 176.300 0.066 0.000 0.861 130 R CA 1.092 57.211 56.100 0.032 0.000 1.018 130 R CB 0.422 30.733 30.300 0.019 0.000 1.435 130 R HN 0.597 nan 8.270 nan 0.000 0.659 131 T N -1.870 112.725 114.554 0.068 0.000 2.949 131 T HA 0.268 4.618 4.350 -0.001 0.000 0.287 131 T C 0.885 175.583 174.700 -0.003 0.000 1.034 131 T CA -0.651 61.520 62.100 0.118 0.000 1.018 131 T CB 1.194 70.121 68.868 0.098 0.000 1.135 131 T HN -0.003 nan 8.240 nan 0.000 0.532 132 L N 0.640 121.772 121.223 -0.151 0.000 2.083 132 L HA 0.049 4.389 4.340 -0.001 0.000 0.209 132 L C 2.603 179.342 176.870 -0.218 0.000 1.083 132 L CA 2.032 56.599 54.840 -0.454 0.000 0.752 132 L CB -1.189 40.343 42.059 -0.878 0.000 0.899 132 L HN 0.995 nan 8.230 nan 0.000 0.433 133 E N -0.786 119.347 120.200 -0.112 0.000 2.058 133 E HA -0.265 4.085 4.350 -0.001 0.000 0.194 133 E C 1.697 178.285 176.600 -0.021 0.000 0.997 133 E CA 1.627 58.002 56.400 -0.042 0.000 0.801 133 E CB -0.039 29.655 29.700 -0.010 0.000 0.746 133 E HN 0.527 nan 8.360 nan 0.000 0.450 134 D N 0.266 120.659 120.400 -0.011 0.000 2.104 134 D HA -0.186 4.453 4.640 -0.001 0.000 0.194 134 D C 1.857 178.140 176.300 -0.029 0.000 0.994 134 D CA 1.564 55.557 54.000 -0.010 0.000 0.830 134 D CB -0.440 40.371 40.800 0.018 0.000 0.959 134 D HN 0.335 nan 8.370 nan 0.000 0.452 135 A N 0.870 123.692 122.820 0.003 0.000 1.933 135 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 135 A C 2.205 179.894 177.584 0.176 0.000 1.175 135 A CA 1.276 53.370 52.037 0.095 0.000 0.628 135 A CB -0.423 18.640 19.000 0.105 0.000 0.814 135 A HN 0.115 nan 8.150 nan 0.000 0.444 136 R N -1.176 119.429 120.500 0.174 0.000 2.092 136 R HA -0.050 4.289 4.340 -0.001 0.000 0.231 136 R C 2.473 178.777 176.300 0.006 0.000 1.119 136 R CA 1.480 57.668 56.100 0.147 0.000 0.970 136 R CB -0.217 30.158 30.300 0.125 0.000 0.864 136 R HN 0.512 nan 8.270 nan 0.000 0.440 137 R N 0.542 121.006 120.500 -0.060 0.000 2.073 137 R HA -0.012 4.328 4.340 -0.001 0.000 0.229 137 R C 2.081 178.216 176.300 -0.275 0.000 1.120 137 R CA 1.158 57.160 56.100 -0.163 0.000 0.967 137 R CB -0.058 30.113 30.300 -0.214 0.000 0.862 137 R HN 0.150 nan 8.270 nan 0.000 0.436 138 I N 0.374 120.781 120.570 -0.273 0.000 2.202 138 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 138 I C 2.620 178.678 176.117 -0.099 0.000 1.091 138 I CA 0.924 62.100 61.300 -0.207 0.000 1.368 138 I CB -0.353 37.574 38.000 -0.122 0.000 1.058 138 I HN 0.266 nan 8.210 nan 0.000 0.410 139 Q N 1.037 120.801 119.800 -0.060 0.000 2.096 139 Q HA -0.280 4.059 4.340 -0.001 0.000 0.208 139 Q C 2.332 178.289 176.000 -0.073 0.000 0.993 139 Q CA 2.431 58.193 55.803 -0.068 0.000 0.862 139 Q CB -0.361 28.329 28.738 -0.080 0.000 0.915 139 Q HN 0.583 nan 8.270 nan 0.000 0.416 140 A N -0.587 122.194 122.820 -0.065 0.000 2.125 140 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 140 A C 2.013 179.573 177.584 -0.040 0.000 1.156 140 A CA 1.651 53.658 52.037 -0.050 0.000 0.671 140 A CB -0.509 18.467 19.000 -0.040 0.000 0.794 140 A HN 0.491 nan 8.150 nan 0.000 0.459 141 G N -1.448 107.325 108.800 -0.045 0.000 2.921 141 G HA2 0.274 4.233 3.960 -0.001 0.000 0.213 141 G HA3 0.274 4.233 3.960 -0.001 0.000 0.213 141 G C 0.740 175.627 174.900 -0.021 0.000 1.143 141 G CA -0.227 44.860 45.100 -0.021 0.000 0.764 141 G HN 0.362 nan 8.290 nan 0.000 0.542 142 L N 2.398 123.599 121.223 -0.037 0.000 2.803 142 L HA 0.229 4.568 4.340 -0.001 0.000 0.241 142 L C 1.500 178.342 176.870 -0.046 0.000 1.404 142 L CA -0.614 54.201 54.840 -0.041 0.000 1.211 142 L CB -0.877 41.151 42.059 -0.052 0.000 1.585 142 L HN 0.269 nan 8.230 nan 0.000 0.430 143 R N 1.235 121.714 120.500 -0.035 0.000 2.438 143 R HA 0.371 4.711 4.340 -0.001 0.000 0.287 143 R C -2.549 173.723 176.300 -0.048 0.000 1.077 143 R CA -1.599 54.480 56.100 -0.036 0.000 1.034 143 R CB -1.114 29.174 30.300 -0.021 0.000 0.993 143 R HN 0.034 nan 8.270 nan 0.000 0.459 144 P HA 0.051 nan 4.420 nan 0.000 0.264 144 P C -0.386 176.868 177.300 -0.076 0.000 1.183 144 P CA 0.548 63.599 63.100 -0.080 0.000 0.763 144 P CB 0.782 32.445 31.700 -0.062 0.000 0.807 145 Q N -0.929 118.778 119.800 -0.154 0.000 2.342 145 Q HA -0.189 4.151 4.340 -0.001 0.000 0.196 145 Q C 0.299 176.344 176.000 0.075 0.000 0.629 145 Q CA 1.650 57.398 55.803 -0.091 0.000 1.365 145 Q CB -2.546 26.216 28.738 0.041 0.000 1.406 145 Q HN 0.680 nan 8.270 nan 0.000 0.840 146 S N -1.177 114.533 115.700 0.017 0.000 2.608 146 S HA 0.703 5.173 4.470 -0.001 0.000 0.261 146 S C 0.477 175.142 174.600 0.107 0.000 1.314 146 S CA -0.107 58.128 58.200 0.059 0.000 0.992 146 S CB 1.275 64.487 63.200 0.020 0.000 0.935 146 S HN 0.589 nan 8.310 nan 0.000 0.564 147 R N 0.321 120.876 120.500 0.092 0.000 2.275 147 R HA 0.682 5.022 4.340 -0.001 0.000 0.326 147 R C -0.921 175.410 176.300 0.051 0.000 0.973 147 R CA -0.807 55.348 56.100 0.092 0.000 0.854 147 R CB 0.063 30.400 30.300 0.061 0.000 1.156 147 R HN 0.760 nan 8.270 nan 0.000 0.487 148 L N 2.830 124.080 121.223 0.046 0.000 2.282 148 L HA 0.698 5.038 4.340 -0.001 0.000 0.288 148 L C -0.687 176.192 176.870 0.015 0.000 1.033 148 L CA -1.148 53.709 54.840 0.027 0.000 0.807 148 L CB 1.778 43.848 42.059 0.018 0.000 1.209 148 L HN 0.654 nan 8.230 nan 0.000 0.423 149 L N 6.558 127.785 121.223 0.007 0.000 2.296 149 L HA 0.605 4.945 4.340 -0.001 0.000 0.286 149 L C -0.929 175.933 176.870 -0.013 0.000 1.023 149 L CA -0.006 54.828 54.840 -0.010 0.000 0.812 149 L CB 1.029 43.079 42.059 -0.015 0.000 1.223 149 L HN 0.576 nan 8.230 nan 0.000 0.421 150 I N 5.688 126.240 120.570 -0.029 0.000 2.359 150 I HA 0.358 4.528 4.170 -0.001 0.000 0.294 150 I C -0.642 175.446 176.117 -0.049 0.000 0.987 150 I CA -0.905 60.375 61.300 -0.034 0.000 1.225 150 I CB 1.797 39.770 38.000 -0.046 0.000 1.366 150 I HN 0.291 nan 8.210 nan 0.000 0.466 151 V N 5.343 125.234 119.914 -0.038 0.000 2.333 151 V HA 0.772 4.891 4.120 -0.001 0.000 0.274 151 V C 0.395 176.464 176.094 -0.042 0.000 1.028 151 V CA -0.420 61.854 62.300 -0.042 0.000 0.851 151 V CB 0.609 32.413 31.823 -0.031 0.000 1.000 151 V HN 1.067 nan 8.190 nan 0.000 0.456 152 G N 3.397 112.165 108.800 -0.053 0.000 3.363 152 G HA2 0.208 4.167 3.960 -0.001 0.000 0.685 152 G HA3 0.208 4.167 3.960 -0.001 0.000 0.685 152 G C 0.050 174.916 174.900 -0.057 0.000 1.199 152 G CA -0.505 44.569 45.100 -0.044 0.000 0.946 152 G HN 1.201 nan 8.290 nan 0.000 0.558 153 G N 0.694 109.467 108.800 -0.045 0.000 3.949 153 G HA2 0.665 4.625 3.960 -0.001 0.000 0.295 153 G HA3 0.665 4.625 3.960 -0.001 0.000 0.295 153 G C 0.843 175.739 174.900 -0.006 0.000 1.286 153 G CA 0.903 45.977 45.100 -0.044 0.000 1.171 153 G HN 1.231 nan 8.290 nan 0.000 0.586 154 G N -0.476 108.313 108.800 -0.020 0.000 2.641 154 G HA2 0.384 4.344 3.960 -0.001 0.000 0.239 154 G HA3 0.384 4.344 3.960 -0.001 0.000 0.239 154 G C 1.411 176.296 174.900 -0.024 0.000 1.402 154 G CA 0.380 45.472 45.100 -0.014 0.000 1.046 154 G HN 0.464 nan 8.290 nan 0.000 0.565 155 V N -1.195 118.695 119.914 -0.039 0.000 2.358 155 V HA -0.062 4.057 4.120 -0.001 0.000 0.246 155 V C 2.578 178.645 176.094 -0.045 0.000 1.047 155 V CA 0.943 63.219 62.300 -0.040 0.000 1.035 155 V CB -0.859 30.911 31.823 -0.088 0.000 0.658 155 V HN 0.497 nan 8.190 nan 0.000 0.452 156 I N 2.214 122.752 120.570 -0.053 0.000 2.099 156 I HA -0.173 3.997 4.170 -0.001 0.000 0.239 156 I C 2.815 178.914 176.117 -0.030 0.000 1.066 156 I CA 2.345 63.623 61.300 -0.037 0.000 1.324 156 I CB -1.786 36.194 38.000 -0.033 0.000 1.037 156 I HN 0.465 nan 8.210 nan 0.000 0.401 157 G N 0.660 109.435 108.800 -0.042 0.000 2.418 157 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 157 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 157 G C 1.812 176.663 174.900 -0.082 0.000 1.158 157 G CA 0.468 45.534 45.100 -0.057 0.000 0.771 157 G HN 0.324 nan 8.290 nan 0.000 0.545 158 L N -0.278 120.889 121.223 -0.094 0.000 2.131 158 L HA 0.086 4.426 4.340 -0.001 0.000 0.206 158 L C 2.826 179.701 176.870 0.008 0.000 1.087 158 L CA 0.731 55.471 54.840 -0.168 0.000 0.767 158 L CB -0.343 41.616 42.059 -0.168 0.000 0.917 158 L HN 0.244 nan 8.230 nan 0.000 0.441 159 E N 0.199 120.421 120.200 0.036 0.000 2.051 159 E HA -0.260 4.090 4.350 -0.001 0.000 0.192 159 E C 2.087 178.723 176.600 0.060 0.000 0.991 159 E CA 1.124 57.565 56.400 0.069 0.000 0.799 159 E CB -0.132 29.588 29.700 0.035 0.000 0.748 159 E HN 0.208 nan 8.360 nan 0.000 0.449 160 L N 1.133 122.371 121.223 0.026 0.000 2.046 160 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 160 L C 2.233 179.117 176.870 0.024 0.000 1.077 160 L CA 2.003 56.855 54.840 0.020 0.000 0.747 160 L CB -0.762 41.301 42.059 0.007 0.000 0.896 160 L HN 0.051 nan 8.230 nan 0.000 0.432 161 A N -0.380 122.446 122.820 0.011 0.000 1.903 161 A HA -0.256 4.064 4.320 -0.001 0.000 0.219 161 A C 2.458 180.098 177.584 0.093 0.000 1.191 161 A CA 2.459 54.510 52.037 0.022 0.000 0.638 161 A CB -1.302 17.666 19.000 -0.053 0.000 0.823 161 A HN 0.613 nan 8.150 nan 0.000 0.451 162 A N -1.397 121.523 122.820 0.167 0.000 1.873 162 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 162 A C 2.316 179.953 177.584 0.087 0.000 1.186 162 A CA 2.235 54.381 52.037 0.181 0.000 0.616 162 A CB -1.305 17.845 19.000 0.249 0.000 0.823 162 A HN 0.450 nan 8.150 nan 0.000 0.442 163 T N 0.530 115.121 114.554 0.061 0.000 2.720 163 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 163 T C 2.187 176.883 174.700 -0.006 0.000 1.037 163 T CA 1.706 63.816 62.100 0.017 0.000 1.144 163 T CB -0.465 68.407 68.868 0.008 0.000 0.864 163 T HN 0.590 nan 8.240 nan 0.000 0.444 164 A N 1.790 124.610 122.820 0.000 0.000 1.930 164 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 164 A C 2.406 179.971 177.584 -0.032 0.000 1.175 164 A CA 1.008 53.033 52.037 -0.020 0.000 0.627 164 A CB -0.320 18.672 19.000 -0.013 0.000 0.815 164 A HN 0.188 nan 8.150 nan 0.000 0.443 165 R N -0.381 120.112 120.500 -0.012 0.000 2.092 165 R HA -0.065 4.274 4.340 -0.001 0.000 0.231 165 R C 2.122 178.401 176.300 -0.035 0.000 1.119 165 R CA 1.759 57.843 56.100 -0.026 0.000 0.970 165 R CB -1.548 28.749 30.300 -0.006 0.000 0.864 165 R HN 0.562 nan 8.270 nan 0.000 0.440 166 T N 1.227 115.770 114.554 -0.018 0.000 2.788 166 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 166 T C 1.692 176.368 174.700 -0.040 0.000 1.044 166 T CA 1.438 63.526 62.100 -0.020 0.000 1.139 166 T CB -0.145 68.719 68.868 -0.007 0.000 0.867 166 T HN 0.336 nan 8.240 nan 0.000 0.454 167 A N 0.424 123.212 122.820 -0.052 0.000 2.235 167 A HA 0.483 4.802 4.320 -0.001 0.000 0.208 167 A C 1.829 179.365 177.584 -0.081 0.000 1.172 167 A CA 0.760 52.758 52.037 -0.065 0.000 0.786 167 A CB -0.899 18.059 19.000 -0.069 0.000 0.804 167 A HN 0.757 nan 8.150 nan 0.000 0.479 168 G N -1.347 107.396 108.800 -0.095 0.000 2.160 168 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.244 168 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.244 168 G C 0.021 174.776 174.900 -0.241 0.000 1.022 168 G CA 0.151 45.164 45.100 -0.144 0.000 0.741 168 G HN 0.800 nan 8.290 nan 0.000 0.508 169 V N 2.290 122.087 119.914 -0.195 0.000 2.481 169 V HA 0.392 4.511 4.120 -0.001 0.000 0.286 169 V C 0.698 176.666 176.094 -0.210 0.000 1.042 169 V CA -1.215 60.963 62.300 -0.203 0.000 0.928 169 V CB 1.252 33.023 31.823 -0.088 0.000 0.986 169 V HN 0.361 nan 8.190 nan 0.000 0.462 170 H N 3.272 122.334 119.070 -0.013 0.000 2.803 170 H HA 0.375 4.930 4.556 -0.001 0.000 0.330 170 H C -0.486 174.832 175.328 -0.017 0.000 1.057 170 H CA -0.084 55.954 56.048 -0.016 0.000 1.458 170 H CB 1.338 31.091 29.762 -0.016 0.000 1.470 170 H HN 0.364 nan 8.280 nan 0.000 0.560 171 V N 3.577 123.545 119.914 0.090 0.000 2.483 171 V HA 0.204 4.324 4.120 -0.001 0.000 0.297 171 V C 0.018 176.117 176.094 0.009 0.000 1.027 171 V CA -0.796 61.524 62.300 0.032 0.000 0.855 171 V CB 1.669 33.498 31.823 0.010 0.000 0.995 171 V HN 0.877 nan 8.190 nan 0.000 0.424 172 S N 5.413 121.107 115.700 -0.009 0.000 2.537 172 S HA 0.906 5.376 4.470 -0.001 0.000 0.301 172 S C -0.906 173.655 174.600 -0.065 0.000 1.092 172 S CA -0.748 57.428 58.200 -0.039 0.000 1.048 172 S CB 2.188 65.367 63.200 -0.036 0.000 1.053 172 S HN 0.740 nan 8.310 nan 0.000 0.501 173 L N 2.447 123.606 121.223 -0.107 0.000 2.436 173 L HA 0.720 5.060 4.340 -0.001 0.000 0.268 173 L C -1.760 175.001 176.870 -0.183 0.000 0.974 173 L CA -0.765 53.993 54.840 -0.137 0.000 0.826 173 L CB 1.853 43.814 42.059 -0.162 0.000 1.291 173 L HN 0.664 nan 8.230 nan 0.000 0.406 174 V N 3.587 123.414 119.914 -0.145 0.000 2.370 174 V HA 0.517 4.636 4.120 -0.001 0.000 0.283 174 V C -0.552 175.462 176.094 -0.133 0.000 1.023 174 V CA -0.418 61.796 62.300 -0.142 0.000 0.857 174 V CB 1.593 33.365 31.823 -0.085 0.000 0.985 174 V HN 0.758 nan 8.190 nan 0.000 0.443 175 E N 2.816 122.920 120.200 -0.160 0.000 2.234 175 E HA 0.417 4.767 4.350 -0.001 0.000 0.266 175 E C 0.822 177.425 176.600 0.005 0.000 0.877 175 E CA -0.110 56.244 56.400 -0.077 0.000 0.758 175 E CB 2.102 31.747 29.700 -0.092 0.000 1.170 175 E HN 0.675 nan 8.360 nan 0.000 0.415 176 T N 1.223 115.794 114.554 0.028 0.000 2.904 176 T HA -0.013 4.336 4.350 -0.001 0.000 0.267 176 T C 0.777 175.526 174.700 0.081 0.000 1.059 176 T CA 0.463 62.590 62.100 0.044 0.000 1.137 176 T CB -0.048 68.837 68.868 0.027 0.000 0.879 176 T HN 0.323 nan 8.240 nan 0.000 0.467 177 Q N 1.714 121.578 119.800 0.106 0.000 2.443 177 Q HA 0.231 4.571 4.340 -0.001 0.000 0.232 177 Q C -1.721 174.394 176.000 0.193 0.000 1.026 177 Q CA -2.289 53.586 55.803 0.120 0.000 0.924 177 Q CB 0.527 29.328 28.738 0.106 0.000 1.256 177 Q HN 0.189 nan 8.270 nan 0.000 0.519 178 P HA -0.043 nan 4.420 nan 0.000 0.242 178 P C -0.369 176.812 177.300 -0.199 0.000 1.197 178 P CA 0.884 64.000 63.100 0.026 0.000 0.765 178 P CB 0.474 32.157 31.700 -0.029 0.000 0.936 179 R N -1.657 118.836 120.500 -0.012 0.000 2.817 179 R HA 0.621 4.960 4.340 -0.001 0.000 0.268 179 R C -0.656 175.802 176.300 0.263 0.000 1.027 179 R CA -1.139 54.914 56.100 -0.078 0.000 0.928 179 R CB 0.710 30.972 30.300 -0.063 0.000 1.228 179 R HN -0.208 nan 8.270 nan 0.000 0.469 180 L N 1.389 122.790 121.223 0.295 0.000 2.439 180 L HA 0.366 4.705 4.340 -0.001 0.000 0.259 180 L C 0.522 177.484 176.870 0.153 0.000 1.129 180 L CA -0.798 54.195 54.840 0.255 0.000 0.803 180 L CB 0.463 42.675 42.059 0.255 0.000 1.161 180 L HN 0.780 nan 8.230 nan 0.000 0.462 181 M N 0.383 120.053 119.600 0.118 0.000 2.169 181 M HA -0.236 4.243 4.480 -0.001 0.000 0.196 181 M C 1.249 177.607 176.300 0.096 0.000 0.355 181 M CA 0.682 56.044 55.300 0.102 0.000 0.396 181 M CB -1.279 31.404 32.600 0.138 0.000 1.125 181 M HN 0.820 nan 8.290 nan 0.000 0.939 182 S N -0.854 114.893 115.700 0.080 0.000 2.474 182 S HA -0.136 4.334 4.470 -0.001 0.000 0.235 182 S C 1.520 176.155 174.600 0.058 0.000 0.997 182 S CA 1.111 59.352 58.200 0.069 0.000 0.949 182 S CB -0.173 63.063 63.200 0.060 0.000 0.766 182 S HN 0.793 nan 8.310 nan 0.000 0.517 183 R N 1.984 122.510 120.500 0.043 0.000 2.066 183 R HA 0.084 4.423 4.340 -0.001 0.000 0.232 183 R C 0.868 177.195 176.300 0.044 0.000 1.131 183 R CA 1.447 57.561 56.100 0.024 0.000 0.955 183 R CB -0.221 30.068 30.300 -0.019 0.000 0.851 183 R HN 0.459 nan 8.270 nan 0.000 0.432 184 A N -0.617 122.249 122.820 0.078 0.000 3.165 184 A HA 0.604 4.923 4.320 -0.001 0.000 0.212 184 A C -1.035 176.702 177.584 0.255 0.000 0.935 184 A CA -0.067 52.059 52.037 0.147 0.000 1.100 184 A CB 0.741 19.810 19.000 0.115 0.000 1.260 184 A HN 0.325 nan 8.150 nan 0.000 0.532 185 A N 0.695 123.629 122.820 0.190 0.000 2.455 185 A HA 0.859 5.178 4.320 -0.001 0.000 0.300 185 A C -3.303 174.367 177.584 0.143 0.000 1.040 185 A CA -1.551 50.602 52.037 0.193 0.000 0.697 185 A CB 1.101 20.223 19.000 0.203 0.000 1.265 185 A HN 0.139 nan 8.150 nan 0.000 0.407 186 P HA 0.252 nan 4.420 nan 0.000 0.266 186 P C 1.069 178.435 177.300 0.110 0.000 1.195 186 P CA 0.550 63.718 63.100 0.113 0.000 0.768 186 P CB 0.905 32.675 31.700 0.115 0.000 0.838 187 A N 3.021 125.890 122.820 0.082 0.000 1.948 187 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 187 A C 2.022 179.654 177.584 0.080 0.000 1.177 187 A CA 2.426 54.503 52.037 0.067 0.000 0.636 187 A CB -1.854 17.170 19.000 0.040 0.000 0.815 187 A HN 0.556 nan 8.150 nan 0.000 0.449 188 T N -0.123 114.480 114.554 0.080 0.000 2.746 188 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 188 T C 1.825 176.618 174.700 0.156 0.000 1.039 188 T CA 1.496 63.641 62.100 0.075 0.000 1.142 188 T CB -0.359 68.531 68.868 0.037 0.000 0.866 188 T HN 0.364 nan 8.240 nan 0.000 0.444 189 L N 1.530 122.879 121.223 0.210 0.000 1.994 189 L HA 0.082 4.421 4.340 -0.001 0.000 0.208 189 L C 2.646 179.693 176.870 0.295 0.000 1.071 189 L CA 2.018 57.044 54.840 0.310 0.000 0.745 189 L CB -1.110 41.098 42.059 0.248 0.000 0.892 189 L HN 0.213 nan 8.230 nan 0.000 0.431 190 A N -0.726 122.216 122.820 0.203 0.000 1.908 190 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 190 A C 2.000 179.682 177.584 0.162 0.000 1.181 190 A CA 2.014 54.157 52.037 0.176 0.000 0.627 190 A CB -0.944 18.130 19.000 0.123 0.000 0.818 190 A HN 0.567 nan 8.150 nan 0.000 0.445 191 D N -1.168 119.312 120.400 0.133 0.000 2.097 191 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 191 D C 1.617 178.019 176.300 0.169 0.000 0.989 191 D CA 1.332 55.391 54.000 0.099 0.000 0.827 191 D CB -0.490 40.350 40.800 0.066 0.000 0.966 191 D HN 0.467 nan 8.370 nan 0.000 0.456 192 F N 1.389 121.398 119.950 0.098 0.000 2.134 192 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 192 F C 2.165 178.089 175.800 0.207 0.000 1.097 192 F CA 0.938 59.019 58.000 0.134 0.000 1.264 192 F CB -0.361 38.737 39.000 0.164 0.000 1.001 192 F HN -0.215 nan 8.300 nan 0.000 0.479 193 V N 0.545 120.559 119.914 0.166 0.000 2.407 193 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 193 V C 2.732 178.969 176.094 0.237 0.000 1.055 193 V CA 1.714 64.109 62.300 0.158 0.000 1.049 193 V CB -1.493 30.503 31.823 0.290 0.000 0.662 193 V HN 0.503 nan 8.190 nan 0.000 0.455 194 A N 0.008 122.953 122.820 0.209 0.000 1.902 194 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 194 A C 2.371 180.038 177.584 0.139 0.000 1.181 194 A CA 1.688 53.872 52.037 0.246 0.000 0.623 194 A CB -0.462 18.689 19.000 0.251 0.000 0.818 194 A HN 0.511 nan 8.150 nan 0.000 0.443 195 R N -2.038 118.480 120.500 0.030 0.000 2.081 195 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 195 R C 2.197 178.434 176.300 -0.106 0.000 1.131 195 R CA 1.744 57.824 56.100 -0.034 0.000 0.960 195 R CB -0.658 29.617 30.300 -0.041 0.000 0.856 195 R HN 0.710 nan 8.270 nan 0.000 0.436 196 Y N 1.288 121.369 120.300 -0.364 0.000 2.114 196 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 196 Y C 2.410 178.159 175.900 -0.252 0.000 1.143 196 Y CA 1.668 59.529 58.100 -0.398 0.000 1.135 196 Y CB -0.379 37.719 38.460 -0.603 0.000 0.980 196 Y HN 0.115 nan 8.280 nan 0.000 0.499 197 H N -0.446 118.536 119.070 -0.146 0.000 2.353 197 H HA -0.077 4.479 4.556 -0.001 0.000 0.300 197 H C 2.351 177.569 175.328 -0.184 0.000 1.090 197 H CA 1.236 57.171 56.048 -0.188 0.000 1.327 197 H CB -0.596 29.169 29.762 0.005 0.000 1.383 197 H HN 0.527 nan 8.280 nan 0.000 0.508 198 A N 1.240 124.064 122.820 0.007 0.000 1.940 198 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 198 A C 2.664 180.201 177.584 -0.079 0.000 1.176 198 A CA 1.689 53.719 52.037 -0.012 0.000 0.631 198 A CB -0.708 18.310 19.000 0.029 0.000 0.814 198 A HN 0.436 nan 8.150 nan 0.000 0.446 199 A N -1.459 121.271 122.820 -0.151 0.000 2.014 199 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 199 A C 1.843 179.303 177.584 -0.206 0.000 1.163 199 A CA 1.299 53.240 52.037 -0.160 0.000 0.652 199 A CB -0.233 18.668 19.000 -0.165 0.000 0.808 199 A HN 0.445 nan 8.150 nan 0.000 0.449 200 Q N -1.140 118.469 119.800 -0.320 0.000 2.365 200 Q HA 0.191 4.531 4.340 -0.001 0.000 0.203 200 Q C 1.109 177.032 176.000 -0.128 0.000 0.929 200 Q CA 0.707 56.343 55.803 -0.277 0.000 0.948 200 Q CB 0.022 28.493 28.738 -0.445 0.000 1.043 200 Q HN 0.962 nan 8.270 nan 0.000 0.505 201 G N -0.114 108.634 108.800 -0.087 0.000 2.157 201 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.239 201 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.239 201 G C 0.108 175.004 174.900 -0.006 0.000 0.982 201 G CA 0.119 45.201 45.100 -0.029 0.000 0.650 201 G HN 0.214 nan 8.290 nan 0.000 0.527 202 V N 1.352 121.261 119.914 -0.008 0.000 2.508 202 V HA 0.382 4.501 4.120 -0.001 0.000 0.281 202 V C 0.514 176.600 176.094 -0.012 0.000 1.041 202 V CA -0.017 62.285 62.300 0.003 0.000 1.016 202 V CB 1.633 33.471 31.823 0.026 0.000 0.984 202 V HN 0.346 nan 8.190 nan 0.000 0.478 203 D N 5.458 125.843 120.400 -0.025 0.000 2.453 203 D HA 0.255 4.894 4.640 -0.001 0.000 0.223 203 D C -0.193 176.056 176.300 -0.085 0.000 1.183 203 D CA -0.098 53.879 54.000 -0.039 0.000 0.933 203 D CB 0.195 40.976 40.800 -0.032 0.000 1.038 203 D HN 0.422 nan 8.370 nan 0.000 0.513 204 L N 4.261 125.421 121.223 -0.105 0.000 2.331 204 L HA 0.409 4.749 4.340 -0.001 0.000 0.278 204 L C 0.688 177.383 176.870 -0.291 0.000 1.106 204 L CA -0.559 54.125 54.840 -0.261 0.000 0.824 204 L CB 0.738 42.640 42.059 -0.261 0.000 1.142 204 L HN 0.075 nan 8.230 nan 0.000 0.443 205 R N 4.221 124.475 120.500 -0.409 0.000 2.371 205 R HA 0.440 4.780 4.340 -0.001 0.000 0.312 205 R C -1.110 174.976 176.300 -0.357 0.000 0.980 205 R CA -0.440 55.501 56.100 -0.265 0.000 0.867 205 R CB 0.953 31.169 30.300 -0.140 0.000 1.163 205 R HN 0.318 nan 8.270 nan 0.000 0.492 206 F N 0.832 120.783 119.950 0.001 0.000 2.399 206 F HA 0.214 4.741 4.527 -0.001 0.000 0.328 206 F C 1.152 176.954 175.800 0.004 0.000 1.084 206 F CA -0.455 57.547 58.000 0.004 0.000 1.053 206 F CB 0.978 39.983 39.000 0.009 0.000 1.209 206 F HN 0.495 nan 8.300 nan 0.000 0.502 207 E N 0.834 121.165 120.200 0.218 0.000 2.360 207 E HA -0.235 4.114 4.350 -0.001 0.000 0.238 207 E C -0.712 175.927 176.600 0.065 0.000 1.186 207 E CA 0.188 56.658 56.400 0.116 0.000 0.719 207 E CB -0.989 28.771 29.700 0.100 0.000 1.236 207 E HN 0.333 nan 8.360 nan 0.000 0.386 208 R N 0.253 120.776 120.500 0.039 0.000 2.534 208 R HA 0.472 4.811 4.340 -0.001 0.000 0.301 208 R C -0.336 175.964 176.300 0.000 0.000 0.961 208 R CA -0.678 55.429 56.100 0.010 0.000 0.871 208 R CB 2.003 32.297 30.300 -0.010 0.000 1.170 208 R HN -0.095 nan 8.270 nan 0.000 0.446 209 S N 1.016 116.716 115.700 0.001 0.000 2.509 209 S HA 0.368 4.838 4.470 -0.001 0.000 0.297 209 S C 0.022 174.617 174.600 -0.009 0.000 1.118 209 S CA -0.724 57.474 58.200 -0.004 0.000 1.074 209 S CB 2.084 65.285 63.200 0.001 0.000 1.038 209 S HN 0.243 nan 8.310 nan 0.000 0.498 210 V N 3.466 123.371 119.914 -0.014 0.000 2.521 210 V HA 0.109 4.229 4.120 -0.001 0.000 0.286 210 V C 1.589 177.676 176.094 -0.011 0.000 1.034 210 V CA 0.370 62.661 62.300 -0.015 0.000 1.045 210 V CB 0.736 32.548 31.823 -0.019 0.000 0.974 210 V HN 1.146 nan 8.190 nan 0.000 0.480 211 T N 0.891 115.438 114.554 -0.011 0.000 3.060 211 T HA 0.527 4.876 4.350 -0.001 0.000 0.249 211 T C 0.735 175.429 174.700 -0.010 0.000 1.079 211 T CA 0.441 62.536 62.100 -0.009 0.000 1.013 211 T CB 0.451 69.315 68.868 -0.007 0.000 0.975 211 T HN 1.251 nan 8.240 nan 0.000 0.518 212 G N 0.757 109.550 108.800 -0.013 0.000 2.356 212 G HA2 0.424 4.384 3.960 -0.001 0.000 0.266 212 G HA3 0.424 4.384 3.960 -0.001 0.000 0.266 212 G C -1.392 173.499 174.900 -0.016 0.000 1.312 212 G CA -0.279 44.813 45.100 -0.014 0.000 0.922 212 G HN 1.155 nan 8.290 nan 0.000 0.480 213 S N -1.918 113.773 115.700 -0.016 0.000 2.547 213 S HA 0.758 5.227 4.470 -0.001 0.000 0.270 213 S C -1.463 173.128 174.600 -0.015 0.000 1.150 213 S CA -0.375 57.815 58.200 -0.017 0.000 0.850 213 S CB 1.875 65.063 63.200 -0.020 0.000 1.118 213 S HN 1.752 nan 8.310 nan 0.000 0.461 214 V N 1.531 121.436 119.914 -0.014 0.000 2.569 214 V HA 0.528 4.648 4.120 -0.001 0.000 0.301 214 V C -0.513 175.573 176.094 -0.012 0.000 1.044 214 V CA -0.456 61.837 62.300 -0.012 0.000 0.874 214 V CB 1.224 33.041 31.823 -0.010 0.000 1.002 214 V HN 1.190 nan 8.190 nan 0.000 0.424 215 D N 4.159 124.552 120.400 -0.012 0.000 2.802 215 D HA -0.154 4.486 4.640 -0.001 0.000 0.229 215 D C 1.184 177.477 176.300 -0.011 0.000 1.203 215 D CA 2.161 56.155 54.000 -0.011 0.000 0.712 215 D CB -0.955 39.840 40.800 -0.009 0.000 0.973 215 D HN 1.723 nan 8.370 nan 0.000 0.407 216 G N -0.811 107.982 108.800 -0.012 0.000 2.147 216 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.244 216 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.244 216 G C 0.135 175.028 174.900 -0.011 0.000 1.005 216 G CA 0.218 45.311 45.100 -0.011 0.000 0.713 216 G HN 1.030 nan 8.290 nan 0.000 0.515 217 V N -0.328 119.578 119.914 -0.013 0.000 2.733 217 V HA 0.606 4.725 4.120 -0.001 0.000 0.306 217 V C 0.294 176.379 176.094 -0.016 0.000 1.084 217 V CA -0.998 61.294 62.300 -0.014 0.000 0.905 217 V CB 2.138 33.953 31.823 -0.013 0.000 1.010 217 V HN 0.359 nan 8.190 nan 0.000 0.424 218 V N 5.523 125.427 119.914 -0.017 0.000 2.509 218 V HA 0.483 4.603 4.120 -0.001 0.000 0.284 218 V C -0.038 176.046 176.094 -0.017 0.000 1.047 218 V CA -0.456 61.833 62.300 -0.019 0.000 0.952 218 V CB 1.427 33.237 31.823 -0.021 0.000 0.988 218 V HN 0.638 nan 8.190 nan 0.000 0.469 219 L N 5.168 126.381 121.223 -0.016 0.000 2.322 219 L HA 0.600 4.939 4.340 -0.001 0.000 0.279 219 L C -0.691 176.170 176.870 -0.014 0.000 1.036 219 L CA -0.586 54.245 54.840 -0.014 0.000 0.807 219 L CB 1.459 43.511 42.059 -0.012 0.000 1.226 219 L HN 0.354 nan 8.230 nan 0.000 0.433 220 L N 1.166 122.381 121.223 -0.012 0.000 2.286 220 L HA 0.347 4.687 4.340 -0.001 0.000 0.265 220 L C 0.791 177.657 176.870 -0.006 0.000 1.012 220 L CA -0.230 54.603 54.840 -0.011 0.000 0.818 220 L CB 1.271 43.322 42.059 -0.014 0.000 1.337 220 L HN 0.628 nan 8.230 nan 0.000 0.438 221 D N -1.110 119.288 120.400 -0.003 0.000 2.312 221 D HA -0.153 4.486 4.640 -0.001 0.000 0.211 221 D C 0.742 177.043 176.300 0.003 0.000 0.964 221 D CA 0.803 54.804 54.000 0.000 0.000 0.877 221 D CB -0.299 40.503 40.800 0.004 0.000 0.924 221 D HN 0.597 nan 8.370 nan 0.000 0.515 222 D N -0.483 119.919 120.400 0.003 0.000 2.349 222 D HA 0.123 4.763 4.640 -0.001 0.000 0.224 222 D C 1.616 177.917 176.300 0.001 0.000 1.029 222 D CA 0.557 54.560 54.000 0.004 0.000 0.879 222 D CB -0.454 40.350 40.800 0.007 0.000 0.906 222 D HN 0.330 nan 8.370 nan 0.000 0.528 223 G N 0.040 108.840 108.800 -0.001 0.000 2.132 223 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.228 223 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.228 223 G C 0.361 175.259 174.900 -0.004 0.000 1.000 223 G CA 0.541 45.640 45.100 -0.003 0.000 0.693 223 G HN 0.807 nan 8.290 nan 0.000 0.515 224 T N -2.805 111.745 114.554 -0.006 0.000 2.841 224 T HA 0.860 5.210 4.350 -0.001 0.000 0.276 224 T C -0.006 174.687 174.700 -0.011 0.000 1.003 224 T CA -0.792 61.303 62.100 -0.008 0.000 0.995 224 T CB 2.204 71.067 68.868 -0.008 0.000 1.260 224 T HN 0.461 nan 8.240 nan 0.000 0.581 225 R N -0.600 119.892 120.500 -0.013 0.000 2.807 225 R HA 0.751 5.091 4.340 -0.001 0.000 0.276 225 R C -1.132 175.156 176.300 -0.019 0.000 0.979 225 R CA -0.797 55.294 56.100 -0.015 0.000 0.928 225 R CB 2.029 32.321 30.300 -0.014 0.000 1.191 225 R HN 0.595 nan 8.270 nan 0.000 0.471 226 I N 1.534 122.092 120.570 -0.020 0.000 2.468 226 I HA 0.386 4.555 4.170 -0.001 0.000 0.285 226 I C -0.447 175.659 176.117 -0.019 0.000 1.039 226 I CA -0.730 60.557 61.300 -0.022 0.000 1.074 226 I CB 2.123 40.107 38.000 -0.027 0.000 1.228 226 I HN 0.664 nan 8.210 nan 0.000 0.436 227 A N 5.121 127.930 122.820 -0.018 0.000 2.363 227 A HA 0.901 5.220 4.320 -0.001 0.000 0.270 227 A C -0.159 177.419 177.584 -0.010 0.000 1.121 227 A CA -0.145 51.883 52.037 -0.014 0.000 0.800 227 A CB 0.764 19.755 19.000 -0.014 0.000 1.052 227 A HN 0.851 nan 8.150 nan 0.000 0.493 228 A N 1.433 124.250 122.820 -0.005 0.000 2.572 228 A HA 0.620 4.939 4.320 -0.001 0.000 0.295 228 A C -0.109 177.481 177.584 0.009 0.000 1.072 228 A CA -0.526 51.513 52.037 0.004 0.000 0.691 228 A CB 0.945 19.946 19.000 0.001 0.000 1.291 228 A HN 0.662 nan 8.150 nan 0.000 0.404 229 D N 0.226 120.637 120.400 0.020 0.000 2.249 229 D HA 0.090 4.729 4.640 -0.001 0.000 0.205 229 D C 0.297 176.615 176.300 0.031 0.000 0.962 229 D CA 1.505 55.519 54.000 0.024 0.000 0.860 229 D CB 0.320 41.138 40.800 0.030 0.000 0.955 229 D HN 0.570 nan 8.370 nan 0.000 0.505 230 M N 0.498 120.119 119.600 0.036 0.000 2.413 230 M HA 0.273 4.752 4.480 -0.001 0.000 0.287 230 M C -2.226 174.098 176.300 0.041 0.000 1.186 230 M CA -0.500 54.834 55.300 0.058 0.000 0.927 230 M CB 2.768 35.424 32.600 0.093 0.000 1.715 230 M HN -0.412 nan 8.290 nan 0.000 0.478 231 V N 4.285 124.217 119.914 0.031 0.000 2.459 231 V HA 0.638 4.757 4.120 -0.001 0.000 0.295 231 V C -0.807 175.316 176.094 0.049 0.000 1.029 231 V CA -0.713 61.597 62.300 0.016 0.000 0.874 231 V CB 1.773 33.586 31.823 -0.017 0.000 0.985 231 V HN 0.675 nan 8.190 nan 0.000 0.438 232 V N 5.311 125.252 119.914 0.045 0.000 2.417 232 V HA 0.423 4.543 4.120 -0.001 0.000 0.291 232 V C -0.191 175.915 176.094 0.019 0.000 1.024 232 V CA -0.620 61.714 62.300 0.056 0.000 0.861 232 V CB 1.977 33.832 31.823 0.054 0.000 0.985 232 V HN 0.608 nan 8.190 nan 0.000 0.436 233 V N 4.076 124.001 119.914 0.019 0.000 2.333 233 V HA 0.630 4.749 4.120 -0.001 0.000 0.274 233 V C 0.836 176.929 176.094 -0.002 0.000 1.028 233 V CA -0.029 62.271 62.300 -0.000 0.000 0.851 233 V CB 1.404 33.224 31.823 -0.005 0.000 1.000 233 V HN 0.989 nan 8.190 nan 0.000 0.456 234 G N 5.085 113.877 108.800 -0.014 0.000 4.160 234 G HA2 0.477 4.436 3.960 -0.001 0.000 0.341 234 G HA3 0.477 4.436 3.960 -0.001 0.000 0.341 234 G C 0.178 175.063 174.900 -0.025 0.000 1.510 234 G CA -0.247 44.841 45.100 -0.020 0.000 1.011 234 G HN 0.866 nan 8.290 nan 0.000 0.491 235 I N -0.437 120.119 120.570 -0.022 0.000 3.816 235 I HA 0.604 4.774 4.170 -0.001 0.000 0.334 235 I C 0.717 176.820 176.117 -0.024 0.000 1.551 235 I CA -0.199 61.088 61.300 -0.021 0.000 1.153 235 I CB 0.102 38.091 38.000 -0.017 0.000 1.197 235 I HN 0.496 nan 8.210 nan 0.000 0.439 236 G N 1.413 110.194 108.800 -0.032 0.000 2.631 236 G HA2 0.029 3.989 3.960 -0.001 0.000 0.504 236 G HA3 0.029 3.989 3.960 -0.001 0.000 0.504 236 G C -0.708 174.169 174.900 -0.037 0.000 1.306 236 G CA -0.431 44.646 45.100 -0.039 0.000 0.897 236 G HN 0.869 nan 8.290 nan 0.000 0.520 237 V N -2.380 117.508 119.914 -0.043 0.000 3.113 237 V HA 0.940 5.060 4.120 -0.001 0.000 0.316 237 V C 0.154 176.224 176.094 -0.041 0.000 1.125 237 V CA -1.305 60.970 62.300 -0.042 0.000 1.026 237 V CB 1.963 33.755 31.823 -0.052 0.000 1.080 237 V HN 1.109 nan 8.190 nan 0.000 0.444 238 L N 1.940 123.139 121.223 -0.039 0.000 2.362 238 L HA 0.816 5.155 4.340 -0.001 0.000 0.275 238 L C 0.562 177.404 176.870 -0.047 0.000 0.998 238 L CA -0.851 53.965 54.840 -0.040 0.000 0.820 238 L CB 1.876 43.916 42.059 -0.031 0.000 1.270 238 L HN 1.032 nan 8.230 nan 0.000 0.415 239 A N 2.299 125.084 122.820 -0.058 0.000 2.540 239 A HA 0.094 4.414 4.320 -0.001 0.000 0.239 239 A C 0.178 177.731 177.584 -0.053 0.000 1.061 239 A CA 0.032 52.029 52.037 -0.066 0.000 0.758 239 A CB -0.312 18.635 19.000 -0.087 0.000 0.991 239 A HN 0.882 nan 8.150 nan 0.000 0.502 240 N N 1.386 120.056 118.700 -0.050 0.000 3.178 240 N HA 0.144 4.883 4.740 -0.001 0.000 0.300 240 N C -0.527 174.964 175.510 -0.031 0.000 1.242 240 N CA 0.011 53.039 53.050 -0.036 0.000 1.192 240 N CB 0.328 38.795 38.487 -0.034 0.000 1.463 240 N HN 0.688 nan 8.380 nan 0.000 0.539 241 D N -0.403 119.978 120.400 -0.032 0.000 2.463 241 D HA 0.097 4.736 4.640 -0.001 0.000 0.224 241 D C 1.281 177.580 176.300 -0.002 0.000 1.174 241 D CA -0.418 53.569 54.000 -0.022 0.000 0.829 241 D CB 0.045 40.816 40.800 -0.047 0.000 0.993 241 D HN 0.205 nan 8.370 nan 0.000 0.497 242 A N 0.422 123.241 122.820 -0.002 0.000 1.933 242 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 242 A C 1.949 179.533 177.584 0.000 0.000 1.175 242 A CA 0.919 52.953 52.037 -0.004 0.000 0.628 242 A CB -0.529 18.467 19.000 -0.006 0.000 0.814 242 A HN 0.275 nan 8.150 nan 0.000 0.444 243 L N -0.543 120.705 121.223 0.041 0.000 2.093 243 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 243 L C 2.965 179.862 176.870 0.044 0.000 1.085 243 L CA 1.772 56.651 54.840 0.065 0.000 0.755 243 L CB -0.754 41.445 42.059 0.234 0.000 0.904 243 L HN 0.382 nan 8.230 nan 0.000 0.435 244 A N -0.553 122.358 122.820 0.152 0.000 1.898 244 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 244 A C 2.440 180.033 177.584 0.014 0.000 1.181 244 A CA 1.459 53.587 52.037 0.152 0.000 0.620 244 A CB -0.427 18.650 19.000 0.128 0.000 0.819 244 A HN 0.345 nan 8.150 nan 0.000 0.442 245 R N -0.467 120.030 120.500 -0.006 0.000 2.081 245 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 245 R C 2.456 178.720 176.300 -0.060 0.000 1.131 245 R CA 1.287 57.374 56.100 -0.022 0.000 0.960 245 R CB -0.510 29.780 30.300 -0.018 0.000 0.856 245 R HN 0.503 nan 8.270 nan 0.000 0.436 246 A N 1.185 123.949 122.820 -0.094 0.000 1.972 246 A HA -0.044 4.275 4.320 -0.001 0.000 0.219 246 A C 2.207 179.672 177.584 -0.198 0.000 1.169 246 A CA 1.583 53.542 52.037 -0.130 0.000 0.635 246 A CB -0.382 18.537 19.000 -0.134 0.000 0.810 246 A HN 0.392 nan 8.150 nan 0.000 0.446 247 A N -1.992 120.640 122.820 -0.314 0.000 2.238 247 A HA 0.419 4.738 4.320 -0.001 0.000 0.208 247 A C 1.670 179.145 177.584 -0.183 0.000 1.177 247 A CA 1.193 52.984 52.037 -0.411 0.000 0.804 247 A CB -0.750 17.628 19.000 -1.038 0.000 0.823 247 A HN 1.864 nan 8.150 nan 0.000 0.482 248 G N -1.719 107.021 108.800 -0.100 0.000 2.134 248 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.209 248 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.209 248 G C -0.183 174.720 174.900 0.004 0.000 0.993 248 G CA 0.041 45.117 45.100 -0.039 0.000 0.669 248 G HN 0.300 nan 8.290 nan 0.000 0.519 249 L N 1.122 122.363 121.223 0.030 0.000 2.436 249 L HA 0.701 5.040 4.340 -0.001 0.000 0.265 249 L C 1.250 178.167 176.870 0.079 0.000 1.168 249 L CA 0.386 55.267 54.840 0.068 0.000 0.815 249 L CB 0.951 43.073 42.059 0.106 0.000 1.109 249 L HN 0.529 nan 8.230 nan 0.000 0.462 250 A N 2.315 125.202 122.820 0.113 0.000 2.484 250 A HA 0.456 4.776 4.320 -0.001 0.000 0.268 250 A C -0.023 177.751 177.584 0.317 0.000 1.114 250 A CA -0.186 51.971 52.037 0.201 0.000 0.780 250 A CB -0.867 18.240 19.000 0.177 0.000 1.061 250 A HN 0.881 nan 8.150 nan 0.000 0.505 251 C N 0.836 120.276 119.300 0.233 0.000 3.239 251 C HA 0.888 5.347 4.460 -0.001 0.000 0.317 251 C C -1.042 173.970 174.990 0.036 0.000 1.310 251 C CA -0.764 58.263 59.018 0.015 0.000 1.371 251 C CB 1.775 29.484 27.740 -0.052 0.000 1.714 251 C HN 0.798 nan 8.230 nan 0.000 0.473 252 D N 1.231 121.526 120.400 -0.176 0.000 2.445 252 D HA 0.260 4.900 4.640 -0.001 0.000 0.236 252 D C -0.422 175.803 176.300 -0.125 0.000 1.315 252 D CA 0.390 54.363 54.000 -0.045 0.000 0.924 252 D CB 0.419 41.304 40.800 0.141 0.000 1.447 252 D HN 0.979 nan 8.370 nan 0.000 0.532 253 D N 2.574 122.919 120.400 -0.092 0.000 2.735 253 D HA -0.002 4.638 4.640 -0.001 0.000 0.235 253 D C -0.043 176.167 176.300 -0.151 0.000 1.175 253 D CA 2.292 56.237 54.000 -0.093 0.000 0.683 253 D CB -1.052 39.714 40.800 -0.058 0.000 1.008 253 D HN 0.896 nan 8.370 nan 0.000 0.416 254 G N -0.241 108.444 108.800 -0.191 0.000 2.435 254 G HA2 0.173 4.132 3.960 -0.001 0.000 0.603 254 G HA3 0.173 4.132 3.960 -0.001 0.000 0.603 254 G C -0.349 174.334 174.900 -0.361 0.000 1.496 254 G CA -0.515 44.441 45.100 -0.240 0.000 0.896 254 G HN 0.438 nan 8.290 nan 0.000 0.657 255 I N 1.507 121.931 120.570 -0.243 0.000 2.396 255 I HA 0.318 4.487 4.170 -0.001 0.000 0.289 255 I C 0.287 176.304 176.117 -0.167 0.000 1.056 255 I CA -0.412 60.778 61.300 -0.182 0.000 1.365 255 I CB 0.526 38.486 38.000 -0.066 0.000 1.407 255 I HN 0.333 nan 8.210 nan 0.000 0.509 256 F N 6.570 126.556 119.950 0.061 0.000 2.504 256 F HA 0.301 4.827 4.527 -0.001 0.000 0.369 256 F C 0.551 176.422 175.800 0.118 0.000 1.082 256 F CA -0.295 57.777 58.000 0.121 0.000 1.216 256 F CB 0.643 39.647 39.000 0.007 0.000 1.108 256 F HN 0.228 nan 8.300 nan 0.000 0.554 257 V N 0.170 120.314 119.914 0.384 0.000 2.962 257 V HA 0.649 4.768 4.120 -0.001 0.000 0.313 257 V C -0.767 175.508 176.094 0.301 0.000 1.099 257 V CA -1.139 61.304 62.300 0.239 0.000 0.971 257 V CB 1.864 33.753 31.823 0.110 0.000 1.028 257 V HN 0.637 nan 8.190 nan 0.000 0.430 258 D N 2.918 123.425 120.400 0.177 0.000 2.478 258 D HA 0.559 5.198 4.640 -0.001 0.000 0.274 258 D C 1.119 177.423 176.300 0.005 0.000 1.234 258 D CA 0.007 54.075 54.000 0.113 0.000 1.069 258 D CB 0.927 41.746 40.800 0.031 0.000 1.113 258 D HN 0.835 nan 8.370 nan 0.000 0.571 259 A N -1.475 121.249 122.820 -0.160 0.000 2.209 259 A HA -0.039 4.281 4.320 -0.001 0.000 0.212 259 A C 1.355 178.860 177.584 -0.132 0.000 1.158 259 A CA 0.552 52.492 52.037 -0.161 0.000 0.742 259 A CB -1.045 17.795 19.000 -0.267 0.000 0.790 259 A HN 0.600 nan 8.150 nan 0.000 0.472 260 Y N -1.383 118.926 120.300 0.014 0.000 2.457 260 Y HA 0.318 4.868 4.550 -0.000 0.000 0.263 260 Y C 1.850 177.869 175.900 0.198 0.000 1.164 260 Y CA 0.099 58.204 58.100 0.009 0.000 1.274 260 Y CB 0.357 38.791 38.460 -0.044 0.000 1.097 260 Y HN 0.433 nan 8.280 nan 0.000 0.523 261 G N 1.321 110.268 108.800 0.245 0.000 2.148 261 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.254 261 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.254 261 G C 0.150 175.141 174.900 0.152 0.000 0.981 261 G CA -0.360 44.872 45.100 0.221 0.000 0.670 261 G HN 0.331 nan 8.290 nan 0.000 0.528 262 R N 1.268 121.791 120.500 0.039 0.000 2.442 262 R HA 0.462 4.802 4.340 -0.001 0.000 0.291 262 R C 1.352 177.580 176.300 -0.121 0.000 1.069 262 R CA 0.541 56.478 56.100 -0.271 0.000 1.022 262 R CB 0.528 30.729 30.300 -0.164 0.000 0.976 262 R HN 0.444 nan 8.270 nan 0.000 0.443 263 T N -1.940 112.510 114.554 -0.173 0.000 2.814 263 T HA 0.037 4.386 4.350 -0.001 0.000 0.284 263 T C 1.563 176.244 174.700 -0.033 0.000 0.998 263 T CA -0.248 61.824 62.100 -0.046 0.000 0.935 263 T CB 1.035 69.884 68.868 -0.032 0.000 1.167 263 T HN 0.669 nan 8.240 nan 0.000 0.545 264 T N -2.614 111.950 114.554 0.016 0.000 3.113 264 T HA 0.051 4.401 4.350 -0.001 0.000 0.263 264 T C 0.854 175.559 174.700 0.008 0.000 1.143 264 T CA -0.151 61.954 62.100 0.009 0.000 1.090 264 T CB -1.073 67.806 68.868 0.019 0.000 0.922 264 T HN 0.692 nan 8.240 nan 0.000 0.521 265 C N 3.303 122.609 119.300 0.010 0.000 2.273 265 C HA 0.588 5.048 4.460 -0.001 0.000 0.328 265 C C -2.561 172.435 174.990 0.009 0.000 1.275 265 C CA -2.686 56.352 59.018 0.034 0.000 1.704 265 C CB 0.182 27.978 27.740 0.094 0.000 2.326 265 C HN 0.276 nan 8.230 nan 0.000 0.517 266 P HA 0.124 nan 4.420 nan 0.000 0.264 266 P C 0.113 177.477 177.300 0.107 0.000 1.183 266 P CA 1.225 64.357 63.100 0.054 0.000 0.763 266 P CB 0.315 32.069 31.700 0.089 0.000 0.807 267 D N -0.835 119.639 120.400 0.123 0.000 3.046 267 D HA -0.128 4.511 4.640 -0.001 0.000 0.210 267 D C -0.483 175.936 176.300 0.198 0.000 1.124 267 D CA 0.862 55.020 54.000 0.265 0.000 0.986 267 D CB -1.487 39.576 40.800 0.437 0.000 1.118 267 D HN 0.133 nan 8.370 nan 0.000 0.416 268 V N 1.030 120.935 119.914 -0.014 0.000 2.448 268 V HA 0.489 4.609 4.120 -0.001 0.000 0.295 268 V C -0.135 175.824 176.094 -0.225 0.000 1.025 268 V CA -0.727 61.503 62.300 -0.117 0.000 0.859 268 V CB 1.495 33.223 31.823 -0.160 0.000 0.988 268 V HN -0.047 nan 8.190 nan 0.000 0.431 269 Y N 2.099 122.294 120.300 -0.175 0.000 2.587 269 Y HA 0.883 5.433 4.550 -0.001 0.000 0.337 269 Y C 0.380 176.153 175.900 -0.212 0.000 1.065 269 Y CA -0.689 57.322 58.100 -0.147 0.000 1.126 269 Y CB 2.190 40.554 38.460 -0.159 0.000 1.279 269 Y HN 0.760 nan 8.280 nan 0.000 0.489 270 A N 1.463 124.270 122.820 -0.022 0.000 2.572 270 A HA 0.921 5.240 4.320 -0.001 0.000 0.295 270 A C -2.004 175.508 177.584 -0.120 0.000 1.072 270 A CA -0.696 51.274 52.037 -0.111 0.000 0.691 270 A CB 1.378 20.324 19.000 -0.090 0.000 1.291 270 A HN 0.745 nan 8.150 nan 0.000 0.404 271 L N -1.362 119.757 121.223 -0.174 0.000 2.540 271 L HA 0.992 5.331 4.340 -0.001 0.000 0.256 271 L C 0.448 177.214 176.870 -0.174 0.000 1.001 271 L CA 0.132 54.865 54.840 -0.178 0.000 0.843 271 L CB 1.106 43.034 42.059 -0.219 0.000 1.436 271 L HN 2.523 nan 8.230 nan 0.000 0.410 272 G N 0.509 109.203 108.800 -0.176 0.000 2.542 272 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.235 272 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.235 272 G C 0.056 174.875 174.900 -0.135 0.000 1.286 272 G CA 0.494 45.496 45.100 -0.164 0.000 0.904 272 G HN 0.851 nan 8.290 nan 0.000 0.577 273 D N -0.505 119.819 120.400 -0.126 0.000 2.263 273 D HA 0.006 4.646 4.640 -0.001 0.000 0.208 273 D C 2.392 178.630 176.300 -0.103 0.000 0.971 273 D CA 1.237 55.171 54.000 -0.109 0.000 0.867 273 D CB -0.066 40.672 40.800 -0.102 0.000 0.929 273 D HN 0.448 nan 8.370 nan 0.000 0.492 274 V N 0.665 120.516 119.914 -0.106 0.000 3.141 274 V HA -0.048 4.072 4.120 -0.001 0.000 0.265 274 V C 0.790 176.817 176.094 -0.112 0.000 1.126 274 V CA 1.207 63.446 62.300 -0.102 0.000 1.141 274 V CB -0.451 31.314 31.823 -0.095 0.000 0.743 274 V HN 0.282 nan 8.190 nan 0.000 0.492 275 T N -0.393 114.096 114.554 -0.109 0.000 2.928 275 T HA 0.483 4.833 4.350 -0.001 0.000 0.284 275 T C -0.155 174.483 174.700 -0.104 0.000 1.008 275 T CA -0.770 61.269 62.100 -0.101 0.000 1.057 275 T CB 1.384 70.208 68.868 -0.074 0.000 1.018 275 T HN 0.327 nan 8.240 nan 0.000 0.493 276 R N 2.251 122.688 120.500 -0.105 0.000 2.338 276 R HA 0.447 4.787 4.340 -0.001 0.000 0.317 276 R C -0.107 176.266 176.300 0.123 0.000 0.968 276 R CA -0.661 55.427 56.100 -0.021 0.000 0.849 276 R CB 1.644 31.849 30.300 -0.160 0.000 1.128 276 R HN 0.896 nan 8.270 nan 0.000 0.448 277 Q N 1.514 121.218 119.800 -0.160 0.000 2.553 277 Q HA 0.412 4.752 4.340 -0.001 0.000 0.293 277 Q C -0.981 174.355 176.000 -1.107 0.000 1.038 277 Q CA -1.187 54.245 55.803 -0.618 0.000 0.777 277 Q CB 1.922 30.519 28.738 -0.235 0.000 1.487 277 Q HN 0.371 nan 8.270 nan 0.000 0.426 278 R N 1.526 121.236 120.500 -1.317 0.000 2.401 278 R HA 0.113 4.453 4.340 -0.001 0.000 0.299 278 R C -0.747 175.361 176.300 -0.321 0.000 1.064 278 R CA -0.199 55.428 56.100 -0.789 0.000 1.000 278 R CB 0.504 30.554 30.300 -0.418 0.000 0.973 278 R HN 0.674 nan 8.270 nan 0.000 0.438 279 N N 6.566 125.155 118.700 -0.184 0.000 2.437 279 N HA 0.122 4.861 4.740 -0.001 0.000 0.243 279 N C -1.893 173.581 175.510 -0.060 0.000 1.041 279 N CA -2.254 50.745 53.050 -0.084 0.000 0.940 279 N CB 1.502 39.970 38.487 -0.032 0.000 1.133 279 N HN 0.438 nan 8.380 nan 0.000 0.506 280 P HA -0.121 nan 4.420 nan 0.000 0.220 280 P C 1.520 178.806 177.300 -0.023 0.000 1.148 280 P CA 0.901 63.970 63.100 -0.053 0.000 0.803 280 P CB 0.622 32.275 31.700 -0.077 0.000 0.782 281 L N 0.201 121.417 121.223 -0.011 0.000 2.044 281 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 281 L C 2.749 179.628 176.870 0.015 0.000 1.075 281 L CA 2.146 56.990 54.840 0.007 0.000 0.747 281 L CB -0.930 41.142 42.059 0.021 0.000 0.903 281 L HN 0.109 nan 8.230 nan 0.000 0.435 282 S N -1.065 114.647 115.700 0.019 0.000 2.478 282 S HA 0.093 4.563 4.470 -0.001 0.000 0.222 282 S C 1.639 176.258 174.600 0.032 0.000 1.008 282 S CA 0.421 58.639 58.200 0.029 0.000 0.928 282 S CB 0.304 63.526 63.200 0.037 0.000 0.781 282 S HN 0.501 nan 8.310 nan 0.000 0.518 283 G N 1.707 110.521 108.800 0.024 0.000 2.168 283 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.257 283 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.257 283 G C 0.017 174.966 174.900 0.083 0.000 0.997 283 G CA 0.207 45.331 45.100 0.040 0.000 0.708 283 G HN 0.524 nan 8.290 nan 0.000 0.520 284 R N -1.012 119.537 120.500 0.082 0.000 2.732 284 R HA 0.662 5.001 4.340 -0.001 0.000 0.278 284 R C -0.335 176.069 176.300 0.172 0.000 0.976 284 R CA -1.384 54.805 56.100 0.148 0.000 0.963 284 R CB 0.503 30.869 30.300 0.110 0.000 1.150 284 R HN 0.034 nan 8.270 nan 0.000 0.478 285 F N 1.328 121.320 119.950 0.070 0.000 2.456 285 F HA 0.225 4.751 4.527 -0.001 0.000 0.358 285 F C 0.687 176.543 175.800 0.094 0.000 1.095 285 F CA 0.501 58.566 58.000 0.108 0.000 1.216 285 F CB 0.742 39.859 39.000 0.196 0.000 1.125 285 F HN 0.293 nan 8.300 nan 0.000 0.549 286 E N 1.489 121.742 120.200 0.089 0.000 2.390 286 E HA 0.291 4.640 4.350 -0.001 0.000 0.277 286 E C -1.145 175.453 176.600 -0.004 0.000 0.939 286 E CA -1.318 55.110 56.400 0.047 0.000 0.769 286 E CB 2.238 31.946 29.700 0.014 0.000 1.251 286 E HN 0.453 nan 8.360 nan 0.000 0.450 287 R N 2.586 123.076 120.500 -0.017 0.000 2.347 287 R HA 0.265 4.605 4.340 -0.001 0.000 0.304 287 R C -0.845 175.426 176.300 -0.049 0.000 1.072 287 R CA 0.001 56.071 56.100 -0.050 0.000 0.980 287 R CB 0.233 30.495 30.300 -0.063 0.000 0.986 287 R HN 0.458 nan 8.270 nan 0.000 0.448 288 I N 5.689 126.227 120.570 -0.054 0.000 2.330 288 I HA 0.121 4.290 4.170 -0.001 0.000 0.286 288 I C 0.139 176.214 176.117 -0.071 0.000 1.025 288 I CA -0.291 60.983 61.300 -0.044 0.000 1.197 288 I CB 1.505 39.502 38.000 -0.005 0.000 1.358 288 I HN 0.740 nan 8.210 nan 0.000 0.467 289 E N 4.504 124.647 120.200 -0.096 0.000 3.351 289 E HA 0.238 4.587 4.350 -0.001 0.000 0.220 289 E C -0.443 176.069 176.600 -0.146 0.000 1.150 289 E CA -0.585 55.744 56.400 -0.118 0.000 1.359 289 E CB 0.367 29.994 29.700 -0.121 0.000 1.365 289 E HN 0.564 nan 8.360 nan 0.000 0.434 290 T N -3.783 110.700 114.554 -0.118 0.000 2.932 290 T HA 0.205 4.555 4.350 -0.001 0.000 0.289 290 T C 0.225 174.903 174.700 -0.035 0.000 1.039 290 T CA -0.936 61.098 62.100 -0.111 0.000 1.024 290 T CB 1.614 70.421 68.868 -0.101 0.000 1.090 290 T HN 0.452 nan 8.240 nan 0.000 0.496 291 W N 1.643 122.834 121.300 -0.181 0.000 2.358 291 W HA -0.155 4.505 4.660 -0.000 0.000 0.303 291 W C 2.590 179.076 176.519 -0.054 0.000 1.208 291 W CA 2.383 59.693 57.345 -0.058 0.000 1.274 291 W CB -0.309 29.217 29.460 0.111 0.000 1.138 291 W HN 0.878 nan 8.180 nan 0.000 0.515 292 S N -0.242 115.579 115.700 0.202 0.000 2.382 292 S HA -0.294 4.175 4.470 -0.001 0.000 0.228 292 S C 1.637 176.223 174.600 -0.024 0.000 1.027 292 S CA 1.567 59.797 58.200 0.049 0.000 0.991 292 S CB -1.112 61.837 63.200 -0.418 0.000 0.823 292 S HN 0.515 nan 8.310 nan 0.000 0.469 293 N N 2.435 121.104 118.700 -0.052 0.000 2.084 293 N HA -0.010 4.730 4.740 -0.001 0.000 0.190 293 N C 1.862 177.264 175.510 -0.180 0.000 1.030 293 N CA 1.588 54.613 53.050 -0.041 0.000 0.849 293 N CB -0.765 37.705 38.487 -0.028 0.000 1.012 293 N HN 0.496 nan 8.380 nan 0.000 0.423 294 A N 0.260 122.950 122.820 -0.216 0.000 1.883 294 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 294 A C 2.193 179.596 177.584 -0.301 0.000 1.186 294 A CA 1.848 53.725 52.037 -0.267 0.000 0.624 294 A CB -0.979 17.844 19.000 -0.295 0.000 0.822 294 A HN 0.615 nan 8.150 nan 0.000 0.444 295 Q N -0.753 118.811 119.800 -0.394 0.000 2.020 295 Q HA -0.177 4.162 4.340 -0.001 0.000 0.198 295 Q C 1.735 177.635 176.000 -0.167 0.000 0.974 295 Q CA 1.642 57.241 55.803 -0.341 0.000 0.829 295 Q CB -0.152 28.269 28.738 -0.528 0.000 0.894 295 Q HN 0.646 nan 8.270 nan 0.000 0.433 296 N N 0.374 119.014 118.700 -0.100 0.000 2.216 296 N HA -0.154 4.586 4.740 -0.001 0.000 0.183 296 N C 1.599 176.974 175.510 -0.225 0.000 1.017 296 N CA 0.990 54.052 53.050 0.020 0.000 0.861 296 N CB -0.267 38.392 38.487 0.287 0.000 0.986 296 N HN 0.362 nan 8.380 nan 0.000 0.428 297 Q N 0.517 119.920 119.800 -0.663 0.000 2.084 297 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 297 Q C 1.894 177.675 176.000 -0.364 0.000 0.978 297 Q CA 1.623 56.821 55.803 -1.008 0.000 0.844 297 Q CB -0.293 27.889 28.738 -0.927 0.000 0.898 297 Q HN 0.354 nan 8.270 nan 0.000 0.426 298 G N 1.200 109.876 108.800 -0.206 0.000 2.446 298 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 298 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 298 G C 1.412 176.370 174.900 0.098 0.000 1.168 298 G CA 0.989 46.088 45.100 -0.002 0.000 0.771 298 G HN 0.365 nan 8.290 nan 0.000 0.551 299 I N 1.351 121.928 120.570 0.012 0.000 2.179 299 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 299 I C 3.307 179.460 176.117 0.061 0.000 1.088 299 I CA 1.037 62.354 61.300 0.027 0.000 1.357 299 I CB -0.239 37.780 38.000 0.032 0.000 1.051 299 I HN 0.252 nan 8.210 nan 0.000 0.409 300 A N 0.342 123.208 122.820 0.076 0.000 1.933 300 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 300 A C 2.419 180.109 177.584 0.177 0.000 1.175 300 A CA 1.671 53.802 52.037 0.156 0.000 0.628 300 A CB -0.905 18.262 19.000 0.278 0.000 0.814 300 A HN 0.250 nan 8.150 nan 0.000 0.444 301 V N -0.146 119.861 119.914 0.155 0.000 2.295 301 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 301 V C 3.062 179.295 176.094 0.231 0.000 1.049 301 V CA 1.922 64.358 62.300 0.226 0.000 1.024 301 V CB -1.304 30.629 31.823 0.183 0.000 0.648 301 V HN 0.613 nan 8.190 nan 0.000 0.447 302 A N 0.458 123.392 122.820 0.190 0.000 1.883 302 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 302 A C 2.309 179.828 177.584 -0.108 0.000 1.186 302 A CA 2.286 54.222 52.037 -0.168 0.000 0.624 302 A CB -0.575 18.108 19.000 -0.529 0.000 0.822 302 A HN 0.454 nan 8.150 nan 0.000 0.444 303 R N -0.428 120.066 120.500 -0.010 0.000 2.091 303 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 303 R C 2.141 178.462 176.300 0.035 0.000 1.136 303 R CA 2.268 58.376 56.100 0.013 0.000 0.959 303 R CB -0.978 29.360 30.300 0.064 0.000 0.856 303 R HN 0.769 nan 8.270 nan 0.000 0.437 304 H N -0.218 118.860 119.070 0.015 0.000 2.470 304 H HA 0.019 4.574 4.556 -0.001 0.000 0.289 304 H C 1.768 177.058 175.328 -0.063 0.000 1.033 304 H CA 1.340 57.389 56.048 0.002 0.000 1.331 304 H CB 0.175 29.988 29.762 0.085 0.000 1.414 304 H HN 0.239 nan 8.280 nan 0.000 0.545 305 L N 0.031 121.188 121.223 -0.110 0.000 2.056 305 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 305 L C 2.696 179.429 176.870 -0.229 0.000 1.078 305 L CA 0.765 55.474 54.840 -0.218 0.000 0.749 305 L CB -0.103 41.805 42.059 -0.252 0.000 0.901 305 L HN 0.106 nan 8.230 nan 0.000 0.433 306 V N -1.389 118.414 119.914 -0.185 0.000 2.488 306 V HA -0.132 3.988 4.120 -0.001 0.000 0.246 306 V C 0.465 176.488 176.094 -0.118 0.000 1.046 306 V CA 1.205 63.428 62.300 -0.128 0.000 1.053 306 V CB -0.270 31.501 31.823 -0.087 0.000 0.679 306 V HN 0.351 nan 8.190 nan 0.000 0.458 307 D N -0.803 119.512 120.400 -0.142 0.000 2.408 307 D HA 0.281 4.921 4.640 -0.001 0.000 0.261 307 D C -2.158 174.002 176.300 -0.235 0.000 1.190 307 D CA -2.233 51.690 54.000 -0.128 0.000 0.910 307 D CB 1.835 42.602 40.800 -0.055 0.000 1.097 307 D HN 0.050 nan 8.370 nan 0.000 0.522 308 P HA -0.102 nan 4.420 nan 0.000 0.223 308 P C 1.226 178.413 177.300 -0.188 0.000 1.144 308 P CA 1.160 63.953 63.100 -0.512 0.000 0.783 308 P CB 0.139 31.650 31.700 -0.316 0.000 0.771 309 T N -4.096 110.418 114.554 -0.067 0.000 3.088 309 T HA 0.237 4.587 4.350 -0.001 0.000 0.259 309 T C 0.971 175.728 174.700 0.096 0.000 1.122 309 T CA 0.055 62.172 62.100 0.027 0.000 1.095 309 T CB -0.655 68.222 68.868 0.015 0.000 0.930 309 T HN 0.018 nan 8.240 nan 0.000 0.508 310 A N 3.476 126.364 122.820 0.114 0.000 2.425 310 A HA 0.537 4.857 4.320 -0.001 0.000 0.242 310 A C -1.837 175.919 177.584 0.288 0.000 1.077 310 A CA -1.324 50.818 52.037 0.174 0.000 0.781 310 A CB -0.101 18.992 19.000 0.155 0.000 1.020 310 A HN 0.400 nan 8.150 nan 0.000 0.494 311 P HA 0.307 nan 4.420 nan 0.000 0.276 311 P C 0.451 177.899 177.300 0.247 0.000 1.252 311 P CA 0.037 63.268 63.100 0.218 0.000 0.802 311 P CB 0.551 32.329 31.700 0.129 0.000 1.035 312 G N -0.259 108.663 108.800 0.202 0.000 2.651 312 G HA2 0.109 4.068 3.960 -0.001 0.000 0.260 312 G HA3 0.109 4.068 3.960 -0.001 0.000 0.260 312 G C -0.900 174.080 174.900 0.133 0.000 1.216 312 G CA -0.612 44.551 45.100 0.104 0.000 0.913 312 G HN 0.535 nan 8.290 nan 0.000 0.535 313 Y N 0.021 120.321 120.300 -0.000 0.000 2.717 313 Y HA 0.245 4.794 4.550 -0.001 0.000 0.330 313 Y C 1.024 176.915 175.900 -0.016 0.000 1.217 313 Y CA 0.477 58.582 58.100 0.008 0.000 1.506 313 Y CB 0.726 39.187 38.460 0.002 0.000 1.268 313 Y HN 0.433 nan 8.280 nan 0.000 0.561 314 A N 4.598 127.147 122.820 -0.452 0.000 2.653 314 A HA 0.175 4.495 4.320 -0.001 0.000 0.248 314 A C -0.020 177.293 177.584 -0.451 0.000 1.211 314 A CA -0.397 51.411 52.037 -0.382 0.000 0.991 314 A CB 0.115 19.025 19.000 -0.150 0.000 1.252 314 A HN 0.697 nan 8.150 nan 0.000 0.593 315 E N 0.418 120.181 120.200 -0.728 0.000 2.398 315 E HA 0.290 4.640 4.350 -0.001 0.000 0.263 315 E C -0.660 175.809 176.600 -0.219 0.000 1.046 315 E CA 0.097 56.301 56.400 -0.326 0.000 0.908 315 E CB 0.996 30.643 29.700 -0.089 0.000 0.963 315 E HN 0.422 nan 8.360 nan 0.000 0.431 316 L N 3.712 124.921 121.223 -0.024 0.000 2.357 316 L HA 0.318 4.658 4.340 -0.001 0.000 0.273 316 L C -1.966 175.015 176.870 0.186 0.000 1.080 316 L CA -2.042 52.822 54.840 0.039 0.000 0.803 316 L CB 0.670 42.749 42.059 0.034 0.000 1.174 316 L HN 0.242 nan 8.230 nan 0.000 0.443 317 P HA 0.168 nan 4.420 nan 0.000 0.278 317 P C -1.350 176.194 177.300 0.407 0.000 1.238 317 P CA -0.259 62.985 63.100 0.240 0.000 0.794 317 P CB 0.653 32.450 31.700 0.163 0.000 0.955 318 W N 2.809 124.279 121.300 0.285 0.000 3.275 318 W HA 0.544 5.203 4.660 -0.001 0.000 0.306 318 W C -2.489 174.324 176.519 0.491 0.000 1.259 318 W CA -1.098 56.463 57.345 0.360 0.000 1.194 318 W CB 0.210 29.871 29.460 0.336 0.000 1.375 318 W HN 0.632 nan 8.180 nan 0.000 0.564 319 Y N 0.102 120.647 120.300 0.407 0.000 2.705 319 Y HA 0.833 5.382 4.550 -0.001 0.000 0.332 319 Y C -1.512 174.656 175.900 0.447 0.000 1.221 319 Y CA -1.884 56.300 58.100 0.141 0.000 1.059 319 Y CB 1.055 39.451 38.460 -0.106 0.000 1.298 319 Y HN 0.693 nan 8.280 nan 0.000 0.459 320 W N 0.401 121.787 121.300 0.144 0.000 2.902 320 W HA 0.854 5.513 4.660 -0.001 0.000 0.346 320 W C -1.633 174.957 176.519 0.118 0.000 1.139 320 W CA -1.198 56.144 57.345 -0.007 0.000 1.139 320 W CB 1.871 31.337 29.460 0.009 0.000 1.439 320 W HN 0.713 nan 8.180 nan 0.000 0.558 321 S N 1.584 117.274 115.700 -0.016 0.000 2.649 321 S HA 0.249 4.718 4.470 -0.001 0.000 0.274 321 S C -1.829 172.822 174.600 0.086 0.000 1.176 321 S CA -0.634 57.527 58.200 -0.065 0.000 0.988 321 S CB 0.588 63.816 63.200 0.045 0.000 1.071 321 S HN 0.463 nan 8.310 nan 0.000 0.478 322 D N 4.102 124.579 120.400 0.128 0.000 2.359 322 D HA 0.284 4.923 4.640 -0.001 0.000 0.230 322 D C -0.434 175.922 176.300 0.093 0.000 1.118 322 D CA -0.022 54.056 54.000 0.129 0.000 0.844 322 D CB 1.324 42.231 40.800 0.178 0.000 1.059 322 D HN 0.557 nan 8.370 nan 0.000 0.493 323 Q N 1.376 121.217 119.800 0.068 0.000 2.523 323 Q HA 0.466 4.805 4.340 -0.001 0.000 0.251 323 Q C 0.999 177.038 176.000 0.066 0.000 1.033 323 Q CA -0.781 55.096 55.803 0.124 0.000 0.746 323 Q CB 1.823 30.689 28.738 0.213 0.000 1.189 323 Q HN 0.656 nan 8.270 nan 0.000 0.508 324 G N 2.380 111.250 108.800 0.117 0.000 2.665 324 G HA2 -0.475 3.484 3.960 -0.001 0.000 0.326 324 G HA3 -0.475 3.484 3.960 -0.001 0.000 0.326 324 G C 0.824 175.751 174.900 0.045 0.000 1.231 324 G CA 0.449 45.624 45.100 0.125 0.000 0.992 324 G HN 0.725 nan 8.290 nan 0.000 0.549 325 A N -0.067 122.777 122.820 0.038 0.000 2.206 325 A HA 0.559 4.879 4.320 -0.001 0.000 0.211 325 A C 1.203 178.679 177.584 -0.180 0.000 1.158 325 A CA 0.956 52.970 52.037 -0.038 0.000 0.761 325 A CB -0.233 18.808 19.000 0.070 0.000 0.801 325 A HN 0.690 nan 8.150 nan 0.000 0.473 326 L N 0.852 121.883 121.223 -0.320 0.000 2.265 326 L HA 0.369 4.709 4.340 -0.001 0.000 0.289 326 L C -0.137 176.658 176.870 -0.126 0.000 1.033 326 L CA -0.379 54.300 54.840 -0.268 0.000 0.814 326 L CB 1.108 42.940 42.059 -0.379 0.000 1.203 326 L HN 0.189 nan 8.230 nan 0.000 0.423 327 R N 4.724 125.161 120.500 -0.105 0.000 2.233 327 R HA 0.530 4.870 4.340 -0.001 0.000 0.334 327 R C -0.701 175.531 176.300 -0.112 0.000 1.037 327 R CA -0.333 55.728 56.100 -0.064 0.000 0.920 327 R CB 0.927 31.187 30.300 -0.066 0.000 1.137 327 R HN 0.540 nan 8.270 nan 0.000 0.492 328 I N 2.599 123.125 120.570 -0.073 0.000 2.392 328 I HA 0.219 4.388 4.170 -0.001 0.000 0.295 328 I C 0.070 176.074 176.117 -0.187 0.000 0.985 328 I CA -0.533 60.684 61.300 -0.138 0.000 1.221 328 I CB 1.607 39.567 38.000 -0.067 0.000 1.366 328 I HN 0.351 nan 8.210 nan 0.000 0.467 329 Q N 5.080 124.657 119.800 -0.372 0.000 2.323 329 Q HA 0.663 5.003 4.340 -0.001 0.000 0.271 329 Q C -1.511 174.188 176.000 -0.501 0.000 1.048 329 Q CA -0.735 54.674 55.803 -0.656 0.000 0.792 329 Q CB 3.393 31.239 28.738 -1.486 0.000 1.280 329 Q HN 0.387 nan 8.270 nan 0.000 0.441 330 V N 1.236 120.943 119.914 -0.344 0.000 2.577 330 V HA 0.830 4.950 4.120 -0.001 0.000 0.303 330 V C -0.912 175.356 176.094 0.289 0.000 1.042 330 V CA -0.645 61.596 62.300 -0.098 0.000 0.872 330 V CB 1.690 33.250 31.823 -0.437 0.000 0.998 330 V HN 0.846 nan 8.190 nan 0.000 0.423 331 A N 3.234 126.297 122.820 0.404 0.000 2.374 331 A HA 0.992 5.312 4.320 -0.001 0.000 0.317 331 A C 0.588 178.303 177.584 0.218 0.000 1.094 331 A CA 0.175 52.424 52.037 0.354 0.000 0.765 331 A CB 1.431 20.505 19.000 0.122 0.000 1.268 331 A HN 2.155 nan 8.150 nan 0.000 0.438 332 G N 0.086 109.014 108.800 0.213 0.000 2.547 332 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.271 332 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.271 332 G C -0.038 174.946 174.900 0.139 0.000 1.209 332 G CA 0.225 45.411 45.100 0.142 0.000 0.959 332 G HN 1.224 nan 8.290 nan 0.000 0.563 333 L N 0.994 122.278 121.223 0.102 0.000 2.375 333 L HA 0.553 4.892 4.340 -0.001 0.000 0.271 333 L C 2.040 178.970 176.870 0.101 0.000 1.107 333 L CA -0.111 54.785 54.840 0.094 0.000 0.806 333 L CB 1.368 43.467 42.059 0.068 0.000 1.146 333 L HN 0.932 nan 8.230 nan 0.000 0.447 334 A N 1.686 124.568 122.820 0.102 0.000 1.968 334 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 334 A C 0.933 178.567 177.584 0.083 0.000 1.169 334 A CA 1.257 53.356 52.037 0.104 0.000 0.638 334 A CB -0.152 18.911 19.000 0.105 0.000 0.812 334 A HN 0.765 nan 8.150 nan 0.000 0.446 335 S N -3.588 112.153 115.700 0.068 0.000 2.607 335 S HA 0.735 5.205 4.470 -0.001 0.000 0.273 335 S C -0.030 174.597 174.600 0.046 0.000 1.148 335 S CA -0.085 58.148 58.200 0.054 0.000 0.833 335 S CB 1.374 64.603 63.200 0.048 0.000 1.130 335 S HN 0.923 nan 8.310 nan 0.000 0.470 336 G N 0.376 109.199 108.800 0.038 0.000 3.310 336 G HA2 0.519 4.479 3.960 -0.001 0.000 0.174 336 G HA3 0.519 4.479 3.960 -0.001 0.000 0.174 336 G C -0.767 174.148 174.900 0.025 0.000 1.097 336 G CA 0.083 45.202 45.100 0.030 0.000 0.795 336 G HN 0.769 nan 8.290 nan 0.000 0.670 337 D N -0.851 119.562 120.400 0.021 0.000 2.398 337 D HA 0.204 4.844 4.640 -0.001 0.000 0.210 337 D C 0.340 176.650 176.300 0.015 0.000 1.094 337 D CA 0.024 54.034 54.000 0.017 0.000 0.839 337 D CB 1.014 41.822 40.800 0.014 0.000 0.963 337 D HN 0.422 nan 8.370 nan 0.000 0.506 338 E N -0.194 120.017 120.200 0.018 0.000 2.347 338 E HA 0.231 4.581 4.350 -0.001 0.000 0.285 338 E C -1.780 174.832 176.600 0.020 0.000 0.925 338 E CA -0.573 55.837 56.400 0.016 0.000 0.779 338 E CB 1.917 31.625 29.700 0.013 0.000 1.233 338 E HN 0.060 nan 8.360 nan 0.000 0.414 339 E N 5.017 125.229 120.200 0.019 0.000 2.210 339 E HA 0.419 4.768 4.350 -0.001 0.000 0.266 339 E C -1.021 175.589 176.600 0.017 0.000 0.883 339 E CA -0.663 55.751 56.400 0.023 0.000 0.761 339 E CB 1.195 30.911 29.700 0.027 0.000 1.156 339 E HN 0.456 nan 8.360 nan 0.000 0.412 340 I N 4.236 124.819 120.570 0.021 0.000 2.354 340 I HA 0.277 4.446 4.170 -0.001 0.000 0.292 340 I C -0.624 175.508 176.117 0.024 0.000 0.989 340 I CA -1.040 60.270 61.300 0.017 0.000 1.188 340 I CB 1.781 39.791 38.000 0.015 0.000 1.342 340 I HN 0.284 nan 8.210 nan 0.000 0.457 341 V N 7.137 127.057 119.914 0.010 0.000 2.347 341 V HA 0.393 4.512 4.120 -0.001 0.000 0.280 341 V C 0.070 176.172 176.094 0.014 0.000 1.021 341 V CA -0.685 61.620 62.300 0.009 0.000 0.847 341 V CB 1.283 33.078 31.823 -0.047 0.000 0.990 341 V HN 0.660 nan 8.190 nan 0.000 0.444 342 R N 3.757 124.285 120.500 0.046 0.000 2.229 342 R HA 0.678 5.017 4.340 -0.001 0.000 0.332 342 R C 0.526 176.861 176.300 0.059 0.000 0.989 342 R CA 0.121 56.245 56.100 0.041 0.000 0.842 342 R CB 1.513 31.837 30.300 0.041 0.000 1.119 342 R HN 1.082 nan 8.270 nan 0.000 0.456 343 G N 2.166 110.982 108.800 0.027 0.000 2.663 343 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.686 343 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.686 343 G C -0.826 174.058 174.900 -0.026 0.000 1.288 343 G CA -0.878 44.238 45.100 0.026 0.000 0.836 343 G HN 0.709 nan 8.290 nan 0.000 0.584 344 E N -1.252 118.926 120.200 -0.037 0.000 2.313 344 E HA 0.568 4.918 4.350 -0.001 0.000 0.272 344 E C -0.157 176.323 176.600 -0.200 0.000 1.038 344 E CA -1.043 55.299 56.400 -0.097 0.000 0.863 344 E CB 1.874 31.543 29.700 -0.051 0.000 1.060 344 E HN 0.560 nan 8.360 nan 0.000 0.402 345 V N 2.924 122.623 119.914 -0.359 0.000 2.320 345 V HA 0.317 4.436 4.120 -0.001 0.000 0.265 345 V C -0.253 175.687 176.094 -0.256 0.000 1.048 345 V CA -0.196 61.706 62.300 -0.662 0.000 0.865 345 V CB 0.283 31.591 31.823 -0.859 0.000 1.043 345 V HN 0.715 nan 8.190 nan 0.000 0.474 346 S N 4.224 119.864 115.700 -0.100 0.000 2.536 346 S HA 0.555 5.024 4.470 -0.001 0.000 0.271 346 S C 0.456 175.283 174.600 0.377 0.000 1.134 346 S CA -0.714 57.575 58.200 0.149 0.000 0.897 346 S CB 1.814 65.059 63.200 0.076 0.000 1.094 346 S HN 0.499 nan 8.310 nan 0.000 0.473 347 L N 1.588 123.037 121.223 0.377 0.000 2.291 347 L HA 0.113 4.452 4.340 -0.001 0.000 0.214 347 L C 0.031 177.038 176.870 0.228 0.000 1.120 347 L CA 0.629 55.671 54.840 0.336 0.000 0.799 347 L CB -0.274 41.901 42.059 0.194 0.000 0.925 347 L HN 0.583 nan 8.230 nan 0.000 0.446 348 D N 1.740 122.239 120.400 0.165 0.000 2.344 348 D HA 0.308 4.948 4.640 -0.001 0.000 0.253 348 D C 0.672 177.042 176.300 0.116 0.000 1.255 348 D CA 0.521 54.591 54.000 0.116 0.000 0.894 348 D CB 0.632 41.480 40.800 0.080 0.000 1.067 348 D HN 0.192 nan 8.370 nan 0.000 0.492 349 A N 3.596 126.484 122.820 0.114 0.000 2.251 349 A HA -0.157 4.162 4.320 -0.001 0.000 0.283 349 A C -2.033 175.615 177.584 0.107 0.000 1.415 349 A CA -0.656 51.437 52.037 0.093 0.000 0.742 349 A CB -1.546 17.490 19.000 0.060 0.000 1.151 349 A HN 0.334 nan 8.150 nan 0.000 0.354 350 P HA 0.321 nan 4.420 nan 0.000 0.262 350 P C -0.096 177.238 177.300 0.056 0.000 1.182 350 P CA 0.634 63.844 63.100 0.183 0.000 0.761 350 P CB 0.496 32.397 31.700 0.335 0.000 0.795 351 K N 4.295 124.736 120.400 0.068 0.000 2.636 351 K HA 0.410 4.729 4.320 -0.001 0.000 0.286 351 K C -1.652 174.999 176.600 0.083 0.000 1.100 351 K CA -0.570 55.705 56.287 -0.020 0.000 0.991 351 K CB 0.512 33.011 32.500 -0.002 0.000 1.323 351 K HN 0.430 nan 8.250 nan 0.000 0.478 352 F N -1.326 118.544 119.950 -0.132 0.000 2.773 352 F HA 0.583 5.109 4.527 -0.001 0.000 0.314 352 F C -1.513 174.233 175.800 -0.089 0.000 1.160 352 F CA -0.803 57.123 58.000 -0.123 0.000 0.920 352 F CB 1.705 40.596 39.000 -0.181 0.000 1.323 352 F HN 0.055 nan 8.300 nan 0.000 0.457 353 T N 2.631 117.288 114.554 0.173 0.000 2.886 353 T HA 0.715 5.064 4.350 -0.001 0.000 0.292 353 T C -0.971 173.841 174.700 0.185 0.000 1.012 353 T CA -0.635 61.520 62.100 0.092 0.000 0.982 353 T CB 1.632 70.529 68.868 0.049 0.000 1.018 353 T HN 0.656 nan 8.240 nan 0.000 0.451 354 L N 3.420 124.739 121.223 0.160 0.000 2.334 354 L HA 0.711 5.051 4.340 -0.001 0.000 0.276 354 L C -0.759 176.165 176.870 0.090 0.000 1.014 354 L CA -1.048 53.872 54.840 0.134 0.000 0.815 354 L CB 1.574 43.727 42.059 0.156 0.000 1.268 354 L HN 0.510 nan 8.230 nan 0.000 0.428 355 I N 1.958 122.568 120.570 0.066 0.000 2.447 355 I HA 0.297 4.466 4.170 -0.001 0.000 0.287 355 I C -0.623 175.520 176.117 0.043 0.000 1.023 355 I CA -0.627 60.702 61.300 0.048 0.000 1.083 355 I CB 1.973 39.991 38.000 0.030 0.000 1.245 355 I HN 0.491 nan 8.210 nan 0.000 0.434 356 E N 6.949 127.176 120.200 0.045 0.000 2.197 356 E HA 0.650 5.000 4.350 -0.001 0.000 0.281 356 E C -0.947 175.671 176.600 0.029 0.000 0.995 356 E CA -0.650 55.774 56.400 0.041 0.000 0.808 356 E CB 2.292 32.023 29.700 0.052 0.000 1.093 356 E HN 0.338 nan 8.360 nan 0.000 0.394 357 L N 1.836 123.073 121.223 0.024 0.000 2.354 357 L HA 0.428 4.768 4.340 -0.001 0.000 0.264 357 L C -0.365 176.515 176.870 0.017 0.000 1.008 357 L CA -0.884 53.966 54.840 0.017 0.000 0.819 357 L CB 1.687 43.753 42.059 0.012 0.000 1.339 357 L HN 0.298 nan 8.230 nan 0.000 0.420 358 Q N 1.638 121.447 119.800 0.014 0.000 2.275 358 Q HA 0.407 4.746 4.340 -0.001 0.000 0.266 358 Q C -1.038 174.968 176.000 0.010 0.000 1.002 358 Q CA -0.594 55.217 55.803 0.014 0.000 0.761 358 Q CB 1.223 29.971 28.738 0.016 0.000 1.255 358 Q HN 0.413 nan 8.270 nan 0.000 0.446 359 K N 3.501 123.907 120.400 0.009 0.000 3.071 359 K HA -0.291 4.028 4.320 -0.001 0.000 0.262 359 K C 0.624 177.227 176.600 0.005 0.000 0.977 359 K CA 0.762 57.053 56.287 0.007 0.000 0.721 359 K CB -1.927 30.577 32.500 0.006 0.000 1.293 359 K HN 1.201 nan 8.250 nan 0.000 0.475 360 G N -2.215 106.588 108.800 0.005 0.000 2.225 360 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.254 360 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.254 360 G C 0.251 175.152 174.900 0.002 0.000 0.988 360 G CA 0.449 45.551 45.100 0.003 0.000 0.625 360 G HN 0.837 nan 8.290 nan 0.000 0.527 361 R N 0.427 120.929 120.500 0.003 0.000 2.297 361 R HA 0.782 5.121 4.340 -0.001 0.000 0.308 361 R C 0.498 176.800 176.300 0.002 0.000 1.029 361 R CA -0.120 55.981 56.100 0.000 0.000 0.929 361 R CB 0.238 30.538 30.300 0.000 0.000 1.046 361 R HN 0.680 nan 8.270 nan 0.000 0.461 362 I N 3.328 123.897 120.570 -0.003 0.000 2.587 362 I HA 0.005 4.175 4.170 -0.001 0.000 0.284 362 I C 1.330 177.448 176.117 0.002 0.000 1.134 362 I CA 0.305 61.604 61.300 -0.002 0.000 1.410 362 I CB 1.285 39.278 38.000 -0.013 0.000 1.392 362 I HN 0.681 nan 8.210 nan 0.000 0.545 363 V N 2.670 122.592 119.914 0.013 0.000 3.556 363 V HA 0.611 4.730 4.120 -0.001 0.000 0.287 363 V C 0.574 176.690 176.094 0.036 0.000 1.422 363 V CA 0.350 62.663 62.300 0.021 0.000 1.038 363 V CB 0.141 31.980 31.823 0.026 0.000 0.850 363 V HN 0.813 nan 8.190 nan 0.000 0.437 364 G N -0.852 107.971 108.800 0.038 0.000 2.547 364 G HA2 0.824 4.784 3.960 -0.001 0.000 0.291 364 G HA3 0.824 4.784 3.960 -0.001 0.000 0.291 364 G C -1.511 173.425 174.900 0.061 0.000 1.471 364 G CA -0.061 45.076 45.100 0.061 0.000 0.798 364 G HN 1.145 nan 8.290 nan 0.000 0.504 365 A N -0.400 122.476 122.820 0.093 0.000 2.604 365 A HA 0.924 5.244 4.320 -0.001 0.000 0.295 365 A C -0.646 177.049 177.584 0.184 0.000 1.067 365 A CA -0.480 51.624 52.037 0.111 0.000 0.683 365 A CB 1.831 20.869 19.000 0.064 0.000 1.281 365 A HN 1.159 nan 8.150 nan 0.000 0.407 366 T N 0.602 115.245 114.554 0.147 0.000 2.886 366 T HA 0.578 4.927 4.350 -0.001 0.000 0.292 366 T C -0.973 173.738 174.700 0.019 0.000 1.012 366 T CA -0.227 61.925 62.100 0.087 0.000 0.982 366 T CB 1.045 69.951 68.868 0.063 0.000 1.018 366 T HN 0.812 nan 8.240 nan 0.000 0.451 367 C N 2.800 122.036 119.300 -0.107 0.000 2.408 367 C HA 0.742 5.202 4.460 -0.001 0.000 0.321 367 C C -0.136 174.627 174.990 -0.378 0.000 1.245 367 C CA -0.741 58.150 59.018 -0.212 0.000 1.523 367 C CB 0.887 28.552 27.740 -0.124 0.000 2.178 367 C HN 0.706 nan 8.230 nan 0.000 0.488 368 V N 4.839 124.410 119.914 -0.572 0.000 2.378 368 V HA 0.398 4.517 4.120 -0.001 0.000 0.288 368 V C -0.118 175.731 176.094 -0.408 0.000 1.016 368 V CA -0.344 61.601 62.300 -0.591 0.000 0.840 368 V CB 1.189 32.387 31.823 -1.043 0.000 0.994 368 V HN 0.985 nan 8.190 nan 0.000 0.431 369 N N 3.850 122.398 118.700 -0.252 0.000 2.727 369 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 369 N C 0.087 175.513 175.510 -0.140 0.000 1.048 369 N CA 0.912 53.864 53.050 -0.162 0.000 0.714 369 N CB -0.867 37.547 38.487 -0.121 0.000 0.959 369 N HN 0.801 nan 8.380 nan 0.000 0.544 370 N N -1.186 117.423 118.700 -0.152 0.000 2.622 370 N HA 0.401 5.140 4.740 -0.001 0.000 0.293 370 N C 0.810 176.274 175.510 -0.077 0.000 1.788 370 N CA 0.373 53.360 53.050 -0.105 0.000 0.860 370 N CB 0.242 38.660 38.487 -0.115 0.000 1.388 370 N HN 0.226 nan 8.380 nan 0.000 0.496 371 A N 0.547 123.318 122.820 -0.083 0.000 1.948 371 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 371 A C 2.461 180.039 177.584 -0.009 0.000 1.177 371 A CA 2.307 54.307 52.037 -0.061 0.000 0.636 371 A CB -0.568 18.382 19.000 -0.083 0.000 0.815 371 A HN 0.504 nan 8.150 nan 0.000 0.449 372 R N -0.092 120.395 120.500 -0.023 0.000 2.139 372 R HA -0.221 4.119 4.340 -0.001 0.000 0.243 372 R C 1.700 177.997 176.300 -0.005 0.000 1.145 372 R CA 2.240 58.330 56.100 -0.017 0.000 0.976 372 R CB -1.531 28.756 30.300 -0.022 0.000 0.866 372 R HN 0.622 nan 8.270 nan 0.000 0.449 373 D N -1.368 119.039 120.400 0.011 0.000 2.323 373 D HA 0.035 4.675 4.640 -0.001 0.000 0.209 373 D C 1.414 177.743 176.300 0.049 0.000 0.973 373 D CA 0.411 54.422 54.000 0.018 0.000 0.874 373 D CB -0.207 40.606 40.800 0.021 0.000 0.930 373 D HN 0.426 nan 8.370 nan 0.000 0.521 374 F N 1.666 121.550 119.950 -0.111 0.000 2.128 374 F HA -0.007 4.520 4.527 -0.001 0.000 0.295 374 F C 2.193 177.893 175.800 -0.166 0.000 1.100 374 F CA 1.145 59.062 58.000 -0.138 0.000 1.260 374 F CB -0.399 38.504 39.000 -0.161 0.000 1.009 374 F HN -0.062 nan 8.300 nan 0.000 0.476 375 A N 1.169 123.892 122.820 -0.160 0.000 1.883 375 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 375 A C -0.188 177.257 177.584 -0.231 0.000 1.186 375 A CA 1.826 53.707 52.037 -0.260 0.000 0.624 375 A CB -2.336 16.572 19.000 -0.152 0.000 0.822 375 A HN 0.372 nan 8.150 nan 0.000 0.444 376 P HA -0.132 nan 4.420 nan 0.000 0.216 376 P C 1.512 178.725 177.300 -0.146 0.000 1.150 376 P CA 0.945 63.972 63.100 -0.122 0.000 0.837 376 P CB -0.203 31.452 31.700 -0.076 0.000 0.786 377 L N -0.828 120.289 121.223 -0.175 0.000 2.093 377 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 377 L C 2.967 179.687 176.870 -0.250 0.000 1.085 377 L CA 1.300 56.034 54.840 -0.176 0.000 0.755 377 L CB -0.588 41.389 42.059 -0.136 0.000 0.904 377 L HN -0.143 nan 8.230 nan 0.000 0.435 378 R N -0.196 120.056 120.500 -0.413 0.000 2.120 378 R HA -0.160 4.180 4.340 -0.001 0.000 0.234 378 R C 2.749 178.909 176.300 -0.232 0.000 1.123 378 R CA 1.478 57.336 56.100 -0.403 0.000 0.975 378 R CB -0.396 29.530 30.300 -0.623 0.000 0.866 378 R HN 0.360 nan 8.270 nan 0.000 0.446 379 R N 1.168 121.549 120.500 -0.197 0.000 2.075 379 R HA -0.029 4.311 4.340 -0.001 0.000 0.232 379 R C 2.187 178.430 176.300 -0.095 0.000 1.126 379 R CA 1.289 57.313 56.100 -0.126 0.000 0.963 379 R CB -1.404 28.831 30.300 -0.107 0.000 0.858 379 R HN 0.166 nan 8.270 nan 0.000 0.435 380 L N -0.010 121.156 121.223 -0.095 0.000 2.046 380 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 380 L C 2.717 179.550 176.870 -0.061 0.000 1.077 380 L CA 1.258 56.057 54.840 -0.068 0.000 0.747 380 L CB -0.496 41.527 42.059 -0.060 0.000 0.896 380 L HN 0.368 nan 8.230 nan 0.000 0.432 381 L N 0.366 121.542 121.223 -0.078 0.000 2.012 381 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 381 L C 2.651 179.492 176.870 -0.049 0.000 1.073 381 L CA 2.126 56.930 54.840 -0.060 0.000 0.748 381 L CB -0.829 41.184 42.059 -0.076 0.000 0.891 381 L HN 0.178 nan 8.230 nan 0.000 0.431 382 A N -0.875 121.908 122.820 -0.062 0.000 1.940 382 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 382 A C 2.039 179.600 177.584 -0.038 0.000 1.176 382 A CA 2.241 54.248 52.037 -0.049 0.000 0.631 382 A CB -1.181 17.785 19.000 -0.056 0.000 0.814 382 A HN 0.614 nan 8.150 nan 0.000 0.446 383 V N -3.716 116.176 119.914 -0.037 0.000 3.596 383 V HA 0.531 4.651 4.120 -0.001 0.000 0.289 383 V C 1.134 177.215 176.094 -0.023 0.000 1.336 383 V CA 0.422 62.706 62.300 -0.028 0.000 1.137 383 V CB -1.017 30.789 31.823 -0.027 0.000 0.966 383 V HN 1.522 nan 8.190 nan 0.000 0.428 384 G N 0.852 109.638 108.800 -0.023 0.000 2.338 384 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.296 384 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.296 384 G C 0.383 175.274 174.900 -0.015 0.000 1.040 384 G CA 0.363 45.453 45.100 -0.017 0.000 1.004 384 G HN 1.758 nan 8.290 nan 0.000 0.509 385 A N -0.268 122.540 122.820 -0.020 0.000 2.498 385 A HA 0.539 4.858 4.320 -0.001 0.000 0.239 385 A C 0.853 178.429 177.584 -0.013 0.000 1.068 385 A CA 0.587 52.613 52.037 -0.018 0.000 0.766 385 A CB 0.336 19.321 19.000 -0.024 0.000 1.003 385 A HN 0.520 nan 8.150 nan 0.000 0.497 386 K N 2.894 123.288 120.400 -0.010 0.000 2.606 386 K HA 0.316 4.636 4.320 -0.001 0.000 0.196 386 K C -2.599 173.997 176.600 -0.007 0.000 1.048 386 K CA -1.204 55.079 56.287 -0.007 0.000 1.017 386 K CB 0.766 33.263 32.500 -0.005 0.000 1.413 386 K HN 0.555 nan 8.250 nan 0.000 0.568 387 P HA 0.059 nan 4.420 nan 0.000 0.276 387 P C -0.659 176.637 177.300 -0.006 0.000 1.261 387 P CA -0.650 62.445 63.100 -0.008 0.000 0.800 387 P CB 0.549 32.243 31.700 -0.011 0.000 1.066 388 D N 0.147 120.544 120.400 -0.005 0.000 2.451 388 D HA -0.056 4.583 4.640 -0.001 0.000 0.254 388 D C 1.365 177.663 176.300 -0.003 0.000 1.204 388 D CA 0.190 54.188 54.000 -0.004 0.000 0.896 388 D CB 0.483 41.281 40.800 -0.004 0.000 1.136 388 D HN 0.271 nan 8.370 nan 0.000 0.499 389 R N 3.885 124.384 120.500 -0.001 0.000 2.115 389 R HA -0.167 4.172 4.340 -0.001 0.000 0.230 389 R C 1.610 177.910 176.300 -0.000 0.000 1.111 389 R CA 1.346 57.446 56.100 -0.000 0.000 0.976 389 R CB -0.235 30.065 30.300 0.001 0.000 0.870 389 R HN 0.500 nan 8.270 nan 0.000 0.445 390 A N 1.183 124.003 122.820 -0.001 0.000 1.877 390 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 390 A C 2.434 180.017 177.584 -0.002 0.000 1.186 390 A CA 1.745 53.781 52.037 -0.001 0.000 0.620 390 A CB -0.791 18.208 19.000 -0.002 0.000 0.822 390 A HN 0.553 nan 8.150 nan 0.000 0.443 391 A N -0.447 122.371 122.820 -0.002 0.000 1.930 391 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 391 A C 2.155 179.738 177.584 -0.002 0.000 1.175 391 A CA 1.389 53.424 52.037 -0.003 0.000 0.627 391 A CB -0.578 18.419 19.000 -0.004 0.000 0.815 391 A HN 0.471 nan 8.150 nan 0.000 0.443 392 L N -0.932 120.290 121.223 -0.001 0.000 2.083 392 L HA -0.221 4.119 4.340 -0.001 0.000 0.209 392 L C 3.039 179.911 176.870 0.004 0.000 1.083 392 L CA 1.110 55.951 54.840 0.001 0.000 0.752 392 L CB -0.432 41.628 42.059 0.002 0.000 0.899 392 L HN 0.474 nan 8.230 nan 0.000 0.433 393 A N -1.230 121.591 122.820 0.003 0.000 1.898 393 A HA -0.138 4.181 4.320 -0.001 0.000 0.214 393 A C 0.989 178.574 177.584 0.002 0.000 1.183 393 A CA 0.337 52.375 52.037 0.003 0.000 0.622 393 A CB -0.355 18.645 19.000 0.000 0.000 0.824 393 A HN 0.302 nan 8.150 nan 0.000 0.444 394 D N 0.569 120.969 120.400 -0.000 0.000 2.520 394 D HA 0.025 4.665 4.640 -0.001 0.000 0.243 394 D C -1.240 175.060 176.300 0.000 0.000 1.160 394 D CA -1.375 52.625 54.000 -0.001 0.000 0.877 394 D CB 0.957 41.756 40.800 -0.002 0.000 1.150 394 D HN 0.151 nan 8.370 nan 0.000 0.494 395 P HA -0.143 nan 4.420 nan 0.000 0.220 395 P C 0.925 178.225 177.300 -0.000 0.000 1.148 395 P CA 0.964 64.065 63.100 0.001 0.000 0.803 395 P CB 0.115 31.816 31.700 0.001 0.000 0.782 396 A N -0.312 122.507 122.820 -0.001 0.000 2.067 396 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 396 A C 1.202 178.784 177.584 -0.004 0.000 1.158 396 A CA 1.030 53.066 52.037 -0.003 0.000 0.661 396 A CB -1.615 17.384 19.000 -0.003 0.000 0.801 396 A HN 0.205 nan 8.150 nan 0.000 0.452 397 T N 2.473 117.024 114.554 -0.004 0.000 2.834 397 T HA 0.279 4.629 4.350 -0.001 0.000 0.298 397 T C -0.150 174.546 174.700 -0.006 0.000 0.966 397 T CA -0.092 62.005 62.100 -0.005 0.000 1.141 397 T CB 0.502 69.367 68.868 -0.005 0.000 0.905 397 T HN 0.539 nan 8.240 nan 0.000 0.535 398 D N 4.042 124.437 120.400 -0.008 0.000 2.198 398 D HA 0.132 4.772 4.640 -0.001 0.000 0.245 398 D C 0.829 177.121 176.300 -0.014 0.000 1.079 398 D CA -0.646 53.347 54.000 -0.011 0.000 0.854 398 D CB 1.262 42.055 40.800 -0.011 0.000 1.148 398 D HN 0.386 nan 8.370 nan 0.000 0.456 399 L N 2.098 123.311 121.223 -0.016 0.000 2.179 399 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 399 L C 2.699 179.551 176.870 -0.029 0.000 1.096 399 L CA 0.317 55.144 54.840 -0.022 0.000 0.779 399 L CB -0.446 41.600 42.059 -0.022 0.000 0.922 399 L HN 0.393 nan 8.230 nan 0.000 0.443 400 R N 1.494 121.976 120.500 -0.029 0.000 2.083 400 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 400 R C 2.559 178.842 176.300 -0.029 0.000 1.137 400 R CA 2.371 58.451 56.100 -0.033 0.000 0.951 400 R CB -0.425 29.857 30.300 -0.030 0.000 0.851 400 R HN 0.243 nan 8.270 nan 0.000 0.434 401 K N 0.296 120.683 120.400 -0.023 0.000 2.103 401 K HA -0.002 4.318 4.320 -0.001 0.000 0.204 401 K C 2.005 178.593 176.600 -0.020 0.000 1.052 401 K CA 1.369 57.644 56.287 -0.019 0.000 0.945 401 K CB -0.974 31.517 32.500 -0.015 0.000 0.722 401 K HN 0.264 nan 8.250 nan 0.000 0.443 402 L N 0.407 121.618 121.223 -0.020 0.000 2.046 402 L HA 0.055 4.395 4.340 -0.001 0.000 0.208 402 L C 2.767 179.623 176.870 -0.024 0.000 1.077 402 L CA 2.106 56.934 54.840 -0.020 0.000 0.747 402 L CB -0.534 41.514 42.059 -0.018 0.000 0.896 402 L HN 0.389 nan 8.230 nan 0.000 0.432 403 A N -0.645 122.157 122.820 -0.031 0.000 1.933 403 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 403 A C 2.432 179.997 177.584 -0.032 0.000 1.175 403 A CA 1.578 53.593 52.037 -0.037 0.000 0.628 403 A CB -1.079 17.891 19.000 -0.050 0.000 0.814 403 A HN 0.545 nan 8.150 nan 0.000 0.444 404 A N -0.142 122.661 122.820 -0.028 0.000 1.972 404 A HA 0.179 4.499 4.320 -0.001 0.000 0.219 404 A C 2.432 180.004 177.584 -0.020 0.000 1.169 404 A CA 1.881 53.904 52.037 -0.024 0.000 0.635 404 A CB -0.859 18.128 19.000 -0.022 0.000 0.810 404 A HN 1.035 nan 8.150 nan 0.000 0.446 405 A N -0.519 122.290 122.820 -0.018 0.000 1.969 405 A HA 0.241 4.560 4.320 -0.001 0.000 0.218 405 A C 1.354 178.929 177.584 -0.015 0.000 1.169 405 A CA 1.173 53.201 52.037 -0.015 0.000 0.635 405 A CB -0.683 18.309 19.000 -0.014 0.000 0.810 405 A HN 0.301 nan 8.150 nan 0.000 0.445 406 V N 0.000 119.903 119.914 -0.018 0.000 2.409 406 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 406 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556