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 1s1m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTTNYIFVTG GVVSSLGKGI AAASLAAILE ARGLNVTIMK LDPYINVDPG DATA SEQUENCE TMSPIQHGEV FVTEDGAETD LDLGHYERFI RTKMSRRNNF TTGRIYSDVL DATA SEQUENCE RKERRGDYLG ATVQVIPHIT NAIKERVLEG GEGHDVVLVE IGGTVGDIES DATA SEQUENCE LPFLEAIRQM AVEIGREHTL FMHLTLVPYM AASGEVKTKP TQHSVKELLS DATA SEQUENCE IGIQPDILIC RSDRAVPANE RAKIALFCNV PEKAVISLKD VDSIYKIPGL DATA SEQUENCE LKSQGLDDYI CKRFSLNCPE ANLSEWEQVI FEEANPVSEV TIGMVGKYIE DATA SEQUENCE LPDAYKSVIE ALKHGGLKNR VSVNIKLIDS QDVETRGVEI LKGLDAILVP DATA SEQUENCE GGFGYRGVEG MITTARFARE NNIPYLGICL GMQVALIDYA RHVANMENAN DATA SEQUENCE STEFVPDCKY PVVALITEWR DENGNVEXXX XXXXXXXTMR LGAQQCQLVD DATA SEQUENCE DSLVRQLYNA PTIVERHRHR YEVNNMLLKQ IEDAGLRVAG RSGDDQLVEI DATA SEQUENCE IEVPNHPWFV ACQFHPEFTS TPRDGHPLFA GFVKAASEFQ KRQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.216 176.300 -0.139 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.091 0.000 0.988 1 M CB 0.000 32.550 32.600 -0.084 0.000 1.302 2 T N 3.144 117.592 114.554 -0.176 0.000 2.447 2 T HA -0.054 4.266 4.350 -0.050 0.000 0.224 2 T C 0.547 175.047 174.700 -0.333 0.000 1.058 2 T CA 1.269 63.185 62.100 -0.307 0.000 1.224 2 T CB -0.245 68.291 68.868 -0.554 0.000 1.029 2 T HN 0.329 nan 8.240 nan 0.000 0.475 3 T N 6.544 120.933 114.554 -0.276 0.000 2.930 3 T HA 0.114 4.434 4.350 -0.050 0.000 0.306 3 T C 0.656 175.062 174.700 -0.491 0.000 1.045 3 T CA -0.421 61.459 62.100 -0.366 0.000 1.134 3 T CB 0.279 68.927 68.868 -0.367 0.000 0.961 3 T HN 0.482 nan 8.240 nan 0.000 0.545 4 N N 1.848 120.147 118.700 -0.668 0.000 2.362 4 N HA 0.341 5.051 4.740 -0.050 0.000 0.298 4 N C -1.398 173.579 175.510 -0.889 0.000 1.048 4 N CA -0.426 52.120 53.050 -0.841 0.000 0.858 4 N CB 1.666 39.347 38.487 -1.344 0.000 1.218 4 N HN 0.522 nan 8.380 nan 0.000 0.488 5 Y N 0.962 120.927 120.300 -0.559 0.000 2.364 5 Y HA 0.513 5.033 4.550 -0.049 0.000 0.340 5 Y C 0.294 175.822 175.900 -0.620 0.000 0.975 5 Y CA -0.688 57.049 58.100 -0.605 0.000 1.089 5 Y CB 1.763 39.776 38.460 -0.746 0.000 1.192 5 Y HN 0.263 nan 8.280 nan 0.000 0.454 6 I N 4.764 125.080 120.570 -0.424 0.000 2.390 6 I HA 0.261 4.401 4.170 -0.050 0.000 0.283 6 I C -1.127 174.749 176.117 -0.402 0.000 1.016 6 I CA -0.549 60.578 61.300 -0.288 0.000 1.151 6 I CB 0.735 38.694 38.000 -0.069 0.000 1.293 6 I HN 0.481 nan 8.210 nan 0.000 0.458 7 F N 5.876 125.758 119.950 -0.113 0.000 2.413 7 F HA 0.273 4.771 4.527 -0.048 0.000 0.359 7 F C 0.366 176.185 175.800 0.031 0.000 1.122 7 F CA -0.698 57.237 58.000 -0.107 0.000 1.160 7 F CB 0.969 39.758 39.000 -0.352 0.000 1.146 7 F HN 0.108 nan 8.300 nan 0.000 0.514 8 V N 3.401 123.428 119.914 0.188 0.000 2.350 8 V HA 0.404 4.494 4.120 -0.050 0.000 0.276 8 V C 0.128 176.327 176.094 0.175 0.000 1.028 8 V CA -0.533 61.854 62.300 0.146 0.000 0.860 8 V CB 1.201 33.049 31.823 0.043 0.000 0.990 8 V HN 0.862 nan 8.190 nan 0.000 0.453 9 T N 1.699 116.398 114.554 0.242 0.000 2.926 9 T HA 0.895 5.215 4.350 -0.050 0.000 0.289 9 T C -0.045 174.764 174.700 0.182 0.000 1.054 9 T CA -0.628 61.635 62.100 0.271 0.000 1.015 9 T CB 2.235 71.346 68.868 0.404 0.000 1.167 9 T HN 0.864 nan 8.240 nan 0.000 0.526 10 G N -1.345 107.535 108.800 0.133 0.000 2.620 10 G HA2 0.709 4.639 3.960 -0.050 0.000 0.301 10 G HA3 0.709 4.639 3.960 -0.050 0.000 0.301 10 G C -0.610 174.301 174.900 0.018 0.000 1.347 10 G CA -0.638 44.415 45.100 -0.079 0.000 0.971 10 G HN 1.021 nan 8.290 nan 0.000 0.488 11 G N -1.461 107.237 108.800 -0.170 0.000 2.658 11 G HA2 0.708 4.638 3.960 -0.050 0.000 0.292 11 G HA3 0.708 4.638 3.960 -0.050 0.000 0.292 11 G C 0.455 175.362 174.900 0.012 0.000 1.320 11 G CA 0.188 45.321 45.100 0.055 0.000 0.933 11 G HN 1.611 nan 8.290 nan 0.000 0.476 12 V N -2.331 117.617 119.914 0.057 0.000 0.575 12 V HA -0.310 3.780 4.120 -0.050 0.000 0.092 12 V C 0.929 177.042 176.094 0.030 0.000 1.919 12 V CA 2.300 64.624 62.300 0.039 0.000 3.435 12 V CB -2.355 29.478 31.823 0.016 0.000 0.726 12 V HN 2.087 nan 8.190 nan 0.000 0.753 13 V N -2.266 117.657 119.914 0.015 0.000 3.159 13 V HA 0.965 5.055 4.120 -0.050 0.000 0.308 13 V C 0.004 176.106 176.094 0.012 0.000 1.190 13 V CA -0.060 62.250 62.300 0.017 0.000 1.037 13 V CB 1.843 33.673 31.823 0.012 0.000 1.060 13 V HN 1.422 nan 8.190 nan 0.000 0.437 14 S N 0.214 115.926 115.700 0.020 0.000 2.655 14 S HA 0.585 5.025 4.470 -0.050 0.000 0.265 14 S C 0.490 175.096 174.600 0.011 0.000 1.240 14 S CA 0.240 58.453 58.200 0.022 0.000 0.986 14 S CB 0.893 64.114 63.200 0.035 0.000 0.985 14 S HN 2.252 nan 8.310 nan 0.000 0.562 15 S N -0.396 115.310 115.700 0.010 0.000 3.748 15 S HA -0.091 4.349 4.470 -0.050 0.000 0.329 15 S C 0.428 175.021 174.600 -0.013 0.000 1.104 15 S CA 0.592 58.793 58.200 0.003 0.000 0.954 15 S CB -2.187 61.017 63.200 0.007 0.000 0.910 15 S HN 0.649 nan 8.310 nan 0.000 0.494 16 L N 0.072 121.280 121.223 -0.024 0.000 2.591 16 L HA 0.244 4.554 4.340 -0.050 0.000 0.228 16 L C 1.664 178.501 176.870 -0.055 0.000 1.133 16 L CA 0.671 55.486 54.840 -0.041 0.000 0.880 16 L CB -0.404 41.621 42.059 -0.057 0.000 1.033 16 L HN 0.764 nan 8.230 nan 0.000 0.450 17 G N 1.099 109.869 108.800 -0.051 0.000 2.212 17 G HA2 -0.306 3.624 3.960 -0.050 0.000 0.255 17 G HA3 -0.306 3.624 3.960 -0.050 0.000 0.255 17 G C 0.834 175.678 174.900 -0.093 0.000 1.062 17 G CA 0.584 45.636 45.100 -0.079 0.000 0.815 17 G HN 0.364 nan 8.290 nan 0.000 0.497 18 K N -0.303 120.062 120.400 -0.058 0.000 2.147 18 K HA -0.013 4.277 4.320 -0.050 0.000 0.205 18 K C 2.719 179.296 176.600 -0.038 0.000 1.049 18 K CA 1.894 58.151 56.287 -0.050 0.000 0.936 18 K CB -0.509 31.979 32.500 -0.020 0.000 0.722 18 K HN 0.480 nan 8.250 nan 0.000 0.446 19 G N 1.203 110.002 108.800 -0.003 0.000 2.404 19 G HA2 -0.205 3.725 3.960 -0.050 0.000 0.215 19 G HA3 -0.205 3.725 3.960 -0.050 0.000 0.215 19 G C 1.471 176.350 174.900 -0.036 0.000 1.174 19 G CA 0.699 45.855 45.100 0.093 0.000 0.780 19 G HN 0.217 nan 8.290 nan 0.000 0.537 20 I N 1.360 121.783 120.570 -0.246 0.000 2.226 20 I HA -0.164 3.976 4.170 -0.050 0.000 0.245 20 I C 3.279 179.124 176.117 -0.453 0.000 1.100 20 I CA 0.965 62.013 61.300 -0.421 0.000 1.374 20 I CB -0.241 37.506 38.000 -0.422 0.000 1.057 20 I HN 0.252 nan 8.210 nan 0.000 0.413 21 A N 0.759 123.403 122.820 -0.293 0.000 1.933 21 A HA -0.112 4.178 4.320 -0.050 0.000 0.218 21 A C 2.522 179.949 177.584 -0.262 0.000 1.175 21 A CA 1.769 53.650 52.037 -0.261 0.000 0.628 21 A CB -0.640 18.259 19.000 -0.168 0.000 0.814 21 A HN 0.436 nan 8.150 nan 0.000 0.444 22 A N -0.233 122.456 122.820 -0.218 0.000 1.897 22 A HA 0.267 4.557 4.320 -0.050 0.000 0.215 22 A C 2.484 179.884 177.584 -0.307 0.000 1.181 22 A CA 1.745 53.651 52.037 -0.219 0.000 0.620 22 A CB -0.937 17.954 19.000 -0.181 0.000 0.821 22 A HN 0.962 nan 8.150 nan 0.000 0.443 23 A N -0.072 122.536 122.820 -0.353 0.000 1.877 23 A HA -0.098 4.192 4.320 -0.050 0.000 0.216 23 A C 2.426 179.646 177.584 -0.607 0.000 1.186 23 A CA 2.165 53.950 52.037 -0.420 0.000 0.620 23 A CB -0.967 17.804 19.000 -0.382 0.000 0.822 23 A HN 0.478 nan 8.150 nan 0.000 0.443 24 S N -0.364 114.805 115.700 -0.886 0.000 2.382 24 S HA -0.152 4.288 4.470 -0.050 0.000 0.228 24 S C 1.825 176.219 174.600 -0.343 0.000 1.027 24 S CA 1.445 59.211 58.200 -0.723 0.000 0.991 24 S CB -0.443 62.367 63.200 -0.649 0.000 0.823 24 S HN 0.516 nan 8.310 nan 0.000 0.469 25 L N 2.004 123.064 121.223 -0.271 0.000 2.093 25 L HA 0.117 4.427 4.340 -0.050 0.000 0.208 25 L C 2.325 179.125 176.870 -0.117 0.000 1.085 25 L CA 1.680 56.424 54.840 -0.161 0.000 0.755 25 L CB -1.102 40.876 42.059 -0.135 0.000 0.904 25 L HN 0.217 nan 8.230 nan 0.000 0.435 26 A N -0.110 122.625 122.820 -0.142 0.000 1.902 26 A HA -0.121 4.169 4.320 -0.050 0.000 0.217 26 A C 2.494 180.079 177.584 0.001 0.000 1.181 26 A CA 1.876 53.862 52.037 -0.084 0.000 0.623 26 A CB -1.279 17.646 19.000 -0.125 0.000 0.818 26 A HN 0.594 nan 8.150 nan 0.000 0.443 27 A N -0.070 122.763 122.820 0.021 0.000 1.948 27 A HA -0.157 4.133 4.320 -0.050 0.000 0.220 27 A C 2.092 179.750 177.584 0.123 0.000 1.177 27 A CA 1.762 53.890 52.037 0.153 0.000 0.636 27 A CB -0.671 18.430 19.000 0.168 0.000 0.815 27 A HN 0.546 nan 8.150 nan 0.000 0.449 28 I N -0.467 120.117 120.570 0.022 0.000 2.202 28 I HA -0.225 3.915 4.170 -0.050 0.000 0.242 28 I C 2.350 178.500 176.117 0.056 0.000 1.091 28 I CA 1.015 62.338 61.300 0.038 0.000 1.368 28 I CB -0.415 37.582 38.000 -0.005 0.000 1.058 28 I HN 0.264 nan 8.210 nan 0.000 0.410 29 L N 0.425 121.669 121.223 0.034 0.000 2.042 29 L HA -0.253 4.057 4.340 -0.050 0.000 0.210 29 L C 2.641 179.545 176.870 0.055 0.000 1.076 29 L CA 1.690 56.553 54.840 0.038 0.000 0.749 29 L CB -0.721 41.350 42.059 0.020 0.000 0.893 29 L HN 0.360 nan 8.230 nan 0.000 0.432 30 E N 0.581 120.825 120.200 0.074 0.000 2.077 30 E HA -0.224 4.096 4.350 -0.050 0.000 0.193 30 E C 2.125 178.784 176.600 0.099 0.000 0.989 30 E CA 1.108 57.562 56.400 0.090 0.000 0.800 30 E CB -0.020 29.752 29.700 0.120 0.000 0.746 30 E HN 0.452 nan 8.360 nan 0.000 0.452 31 A N 0.747 123.643 122.820 0.127 0.000 2.225 31 A HA -0.089 4.201 4.320 -0.050 0.000 0.215 31 A C 1.693 179.327 177.584 0.084 0.000 1.164 31 A CA 0.686 52.799 52.037 0.126 0.000 0.710 31 A CB -0.279 18.832 19.000 0.185 0.000 0.780 31 A HN 0.163 nan 8.150 nan 0.000 0.473 32 R N -1.369 119.171 120.500 0.068 0.000 2.427 32 R HA 0.273 4.583 4.340 -0.050 0.000 0.262 32 R C 1.050 177.375 176.300 0.042 0.000 0.943 32 R CA 0.431 56.561 56.100 0.050 0.000 1.081 32 R CB 0.107 30.433 30.300 0.043 0.000 1.166 32 R HN 0.568 nan 8.270 nan 0.000 0.534 33 G N 1.457 110.284 108.800 0.046 0.000 2.143 33 G HA2 -0.269 3.661 3.960 -0.050 0.000 0.248 33 G HA3 -0.269 3.661 3.960 -0.050 0.000 0.248 33 G C 0.047 174.966 174.900 0.032 0.000 0.991 33 G CA -0.152 44.970 45.100 0.036 0.000 0.689 33 G HN 0.166 nan 8.290 nan 0.000 0.522 34 L N -0.051 121.195 121.223 0.038 0.000 2.399 34 L HA 0.440 4.750 4.340 -0.050 0.000 0.266 34 L C 0.667 177.561 176.870 0.039 0.000 1.114 34 L CA -1.074 53.785 54.840 0.032 0.000 0.804 34 L CB 0.897 42.974 42.059 0.030 0.000 1.146 34 L HN 0.135 nan 8.230 nan 0.000 0.451 35 N N 1.735 120.455 118.700 0.034 0.000 2.469 35 N HA 0.320 5.030 4.740 -0.050 0.000 0.239 35 N C -1.251 174.335 175.510 0.127 0.000 1.053 35 N CA -0.109 52.981 53.050 0.066 0.000 0.937 35 N CB 0.685 39.179 38.487 0.013 0.000 1.163 35 N HN 0.272 nan 8.380 nan 0.000 0.509 36 V N 1.916 121.904 119.914 0.124 0.000 2.769 36 V HA 0.606 4.696 4.120 -0.050 0.000 0.312 36 V C 0.307 176.359 176.094 -0.070 0.000 1.061 36 V CA -0.687 61.626 62.300 0.021 0.000 0.931 36 V CB 1.920 33.736 31.823 -0.011 0.000 1.010 36 V HN 0.651 nan 8.190 nan 0.000 0.433 37 T N 3.774 118.131 114.554 -0.329 0.000 2.838 37 T HA 0.807 5.127 4.350 -0.050 0.000 0.292 37 T C -1.453 173.049 174.700 -0.330 0.000 1.113 37 T CA -0.395 61.466 62.100 -0.398 0.000 1.008 37 T CB 1.396 69.826 68.868 -0.730 0.000 1.259 37 T HN 0.460 nan 8.240 nan 0.000 0.520 38 I N 2.603 122.997 120.570 -0.293 0.000 2.722 38 I HA 0.537 4.677 4.170 -0.050 0.000 0.295 38 I C -0.617 175.385 176.117 -0.192 0.000 1.161 38 I CA -1.135 59.935 61.300 -0.383 0.000 1.032 38 I CB 2.205 39.692 38.000 -0.856 0.000 1.244 38 I HN 0.666 nan 8.210 nan 0.000 0.421 39 M N 2.871 122.403 119.600 -0.112 0.000 2.518 39 M HA 0.678 5.128 4.480 -0.050 0.000 0.300 39 M C -1.215 175.132 176.300 0.078 0.000 1.175 39 M CA -0.926 54.412 55.300 0.064 0.000 0.890 39 M CB 2.559 35.206 32.600 0.079 0.000 1.710 39 M HN 0.208 nan 8.290 nan 0.000 0.453 40 K N 2.641 123.096 120.400 0.091 0.000 2.316 40 K HA 0.597 4.887 4.320 -0.050 0.000 0.267 40 K C -1.974 174.414 176.600 -0.353 0.000 1.025 40 K CA -0.439 55.821 56.287 -0.045 0.000 0.896 40 K CB 0.817 33.307 32.500 -0.017 0.000 1.124 40 K HN 0.741 nan 8.250 nan 0.000 0.451 41 L N 4.530 125.421 121.223 -0.553 0.000 2.264 41 L HA 0.333 4.643 4.340 -0.050 0.000 0.287 41 L C -0.551 175.878 176.870 -0.735 0.000 1.039 41 L CA -0.012 54.185 54.840 -1.071 0.000 0.829 41 L CB 1.159 42.305 42.059 -1.522 0.000 1.211 41 L HN 0.514 nan 8.230 nan 0.000 0.427 42 D N 5.756 125.830 120.400 -0.544 0.000 2.359 42 D HA 0.242 4.852 4.640 -0.050 0.000 0.230 42 D C -2.086 174.068 176.300 -0.243 0.000 1.118 42 D CA -1.292 52.444 54.000 -0.439 0.000 0.844 42 D CB 1.780 42.086 40.800 -0.823 0.000 1.059 42 D HN 0.246 nan 8.370 nan 0.000 0.493 43 P HA 0.057 nan 4.420 nan 0.000 0.230 43 P C -1.179 176.173 177.300 0.088 0.000 1.791 43 P CA -0.210 63.006 63.100 0.194 0.000 1.020 43 P CB -0.858 30.961 31.700 0.199 0.000 1.977 44 Y N -1.741 118.643 120.300 0.139 0.000 2.524 44 Y HA 0.499 5.019 4.550 -0.051 0.000 0.347 44 Y C 0.931 176.863 175.900 0.054 0.000 1.005 44 Y CA -1.960 56.181 58.100 0.068 0.000 1.025 44 Y CB 0.148 38.639 38.460 0.052 0.000 1.275 44 Y HN -0.220 nan 8.280 nan 0.000 0.460 45 I N 1.281 122.001 120.570 0.250 0.000 2.830 45 I HA -0.156 3.984 4.170 -0.050 0.000 0.263 45 I C 0.376 176.590 176.117 0.163 0.000 1.230 45 I CA 0.438 61.816 61.300 0.129 0.000 1.480 45 I CB -0.397 37.608 38.000 0.008 0.000 1.095 45 I HN 0.606 nan 8.210 nan 0.000 0.455 46 N N 1.325 120.159 118.700 0.222 0.000 2.357 46 N HA -0.045 4.665 4.740 -0.050 0.000 0.257 46 N C 1.082 176.709 175.510 0.195 0.000 1.250 46 N CA -0.086 53.048 53.050 0.140 0.000 0.862 46 N CB 2.029 40.520 38.487 0.007 0.000 1.066 46 N HN -0.004 nan 8.380 nan 0.000 0.468 47 V N 1.106 121.092 119.914 0.121 0.000 2.379 47 V HA -0.155 3.935 4.120 -0.050 0.000 0.245 47 V C 0.623 176.797 176.094 0.134 0.000 1.044 47 V CA 1.592 63.969 62.300 0.129 0.000 1.036 47 V CB -0.294 31.584 31.823 0.092 0.000 0.664 47 V HN 0.713 nan 8.190 nan 0.000 0.453 48 D N -1.293 119.166 120.400 0.098 0.000 2.549 48 D HA 0.290 4.900 4.640 -0.050 0.000 0.251 48 D C -1.901 174.435 176.300 0.059 0.000 1.153 48 D CA -2.300 51.753 54.000 0.087 0.000 0.861 48 D CB 2.149 42.981 40.800 0.054 0.000 1.207 48 D HN -0.058 nan 8.370 nan 0.000 0.543 49 P HA -0.061 nan 4.420 nan 0.000 0.217 49 P C 1.295 178.579 177.300 -0.026 0.000 1.148 49 P CA 0.945 64.065 63.100 0.033 0.000 0.834 49 P CB 0.080 31.906 31.700 0.210 0.000 0.783 50 G N -0.786 108.028 108.800 0.023 0.000 2.843 50 G HA2 -0.123 3.807 3.960 -0.050 0.000 0.205 50 G HA3 -0.123 3.807 3.960 -0.050 0.000 0.205 50 G C 1.027 175.908 174.900 -0.032 0.000 1.160 50 G CA 1.278 46.386 45.100 0.013 0.000 0.819 50 G HN 0.461 nan 8.290 nan 0.000 0.516 51 T N -3.494 111.018 114.554 -0.070 0.000 3.087 51 T HA 0.402 4.722 4.350 -0.050 0.000 0.283 51 T C 0.845 175.464 174.700 -0.136 0.000 0.956 51 T CA -0.429 61.618 62.100 -0.088 0.000 0.894 51 T CB -0.017 68.810 68.868 -0.069 0.000 1.160 51 T HN 0.082 nan 8.240 nan 0.000 0.532 52 M N 2.802 122.275 119.600 -0.212 0.000 2.288 52 M HA 0.491 4.941 4.480 -0.050 0.000 0.334 52 M C 0.629 176.826 176.300 -0.172 0.000 1.150 52 M CA -0.735 54.390 55.300 -0.291 0.000 1.118 52 M CB 1.407 33.608 32.600 -0.665 0.000 1.501 52 M HN 0.295 nan 8.290 nan 0.000 0.462 53 S N 1.282 116.895 115.700 -0.146 0.000 2.601 53 S HA 0.345 4.785 4.470 -0.050 0.000 0.271 53 S C -2.222 172.326 174.600 -0.086 0.000 1.305 53 S CA -1.219 56.904 58.200 -0.127 0.000 1.022 53 S CB 0.907 64.037 63.200 -0.116 0.000 0.940 53 S HN 0.411 nan 8.310 nan 0.000 0.525 54 P HA 0.078 nan 4.420 nan 0.000 0.222 54 P C 1.306 178.550 177.300 -0.093 0.000 1.153 54 P CA 0.274 63.291 63.100 -0.139 0.000 0.798 54 P CB -0.122 31.399 31.700 -0.298 0.000 0.796 55 I N -0.297 120.212 120.570 -0.101 0.000 2.185 55 I HA -0.251 3.889 4.170 -0.050 0.000 0.246 55 I C 2.465 178.569 176.117 -0.021 0.000 1.088 55 I CA 1.742 63.015 61.300 -0.045 0.000 1.347 55 I CB -1.143 36.835 38.000 -0.038 0.000 1.041 55 I HN 0.044 nan 8.210 nan 0.000 0.415 56 Q N -1.581 118.208 119.800 -0.018 0.000 2.178 56 Q HA -0.072 4.238 4.340 -0.050 0.000 0.195 56 Q C 2.022 178.055 176.000 0.055 0.000 0.960 56 Q CA 0.757 56.564 55.803 0.007 0.000 0.843 56 Q CB 0.097 28.823 28.738 -0.020 0.000 0.927 56 Q HN 0.531 nan 8.270 nan 0.000 0.487 57 H N -0.834 118.180 119.070 -0.093 0.000 2.652 57 H HA 0.231 4.757 4.556 -0.051 0.000 0.274 57 H C -0.066 175.226 175.328 -0.059 0.000 1.021 57 H CA 0.753 56.757 56.048 -0.074 0.000 1.187 57 H CB 0.631 30.322 29.762 -0.119 0.000 1.505 57 H HN 0.404 nan 8.280 nan 0.000 0.530 58 G N 1.735 110.505 108.800 -0.050 0.000 2.746 58 G HA2 -0.243 3.687 3.960 -0.050 0.000 0.685 58 G HA3 -0.243 3.687 3.960 -0.050 0.000 0.685 58 G C -0.309 174.546 174.900 -0.076 0.000 1.350 58 G CA -0.177 44.865 45.100 -0.097 0.000 0.837 58 G HN 0.585 nan 8.290 nan 0.000 0.564 59 E N -1.139 119.026 120.200 -0.058 0.000 2.436 59 E HA 0.316 4.636 4.350 -0.050 0.000 0.262 59 E C 0.018 176.657 176.600 0.066 0.000 1.063 59 E CA -0.330 56.087 56.400 0.028 0.000 0.944 59 E CB 0.858 30.628 29.700 0.115 0.000 0.950 59 E HN 0.697 nan 8.360 nan 0.000 0.444 60 V N 4.680 124.675 119.914 0.135 0.000 2.334 60 V HA 0.135 4.225 4.120 -0.050 0.000 0.267 60 V C -0.231 175.894 176.094 0.051 0.000 1.040 60 V CA -0.509 61.867 62.300 0.127 0.000 0.866 60 V CB -0.302 31.600 31.823 0.133 0.000 1.019 60 V HN 0.573 nan 8.190 nan 0.000 0.468 61 F N 5.895 125.715 119.950 -0.216 0.000 2.459 61 F HA 0.459 4.956 4.527 -0.049 0.000 0.346 61 F C 0.160 175.629 175.800 -0.552 0.000 1.128 61 F CA 0.094 57.760 58.000 -0.557 0.000 1.268 61 F CB 1.037 39.788 39.000 -0.415 0.000 1.161 61 F HN 0.238 nan 8.300 nan 0.000 0.583 62 V N 4.648 123.552 119.914 -1.684 0.000 2.487 62 V HA 0.330 4.420 4.120 -0.050 0.000 0.298 62 V C -0.037 175.491 176.094 -0.943 0.000 1.028 62 V CA -0.683 61.068 62.300 -0.916 0.000 0.860 62 V CB 1.524 33.047 31.823 -0.501 0.000 0.991 62 V HN 0.939 nan 8.190 nan 0.000 0.427 63 T N 0.316 114.649 114.554 -0.368 0.000 2.824 63 T HA 0.335 4.655 4.350 -0.050 0.000 0.277 63 T C 1.009 175.670 174.700 -0.066 0.000 0.975 63 T CA -0.344 61.665 62.100 -0.152 0.000 0.966 63 T CB 1.372 70.269 68.868 0.049 0.000 1.054 63 T HN 0.645 nan 8.240 nan 0.000 0.533 64 E N 0.711 120.922 120.200 0.018 0.000 2.070 64 E HA -0.206 4.114 4.350 -0.050 0.000 0.197 64 E C 1.529 178.162 176.600 0.055 0.000 1.004 64 E CA 1.637 58.066 56.400 0.050 0.000 0.805 64 E CB -0.125 29.620 29.700 0.074 0.000 0.744 64 E HN 0.858 nan 8.360 nan 0.000 0.451 65 D N -1.260 119.173 120.400 0.054 0.000 2.371 65 D HA -0.028 4.582 4.640 -0.050 0.000 0.234 65 D C 1.202 177.531 176.300 0.049 0.000 1.049 65 D CA 0.916 54.948 54.000 0.055 0.000 0.907 65 D CB 0.102 40.937 40.800 0.057 0.000 0.891 65 D HN 0.316 nan 8.370 nan 0.000 0.531 66 G N -0.444 108.380 108.800 0.041 0.000 2.199 66 G HA2 -0.225 3.705 3.960 -0.050 0.000 0.254 66 G HA3 -0.225 3.705 3.960 -0.050 0.000 0.254 66 G C 0.572 175.490 174.900 0.029 0.000 0.982 66 G CA 0.254 45.380 45.100 0.043 0.000 0.632 66 G HN 0.877 nan 8.290 nan 0.000 0.529 67 A N 0.186 123.024 122.820 0.030 0.000 2.531 67 A HA 0.519 4.809 4.320 -0.050 0.000 0.236 67 A C 0.387 177.982 177.584 0.017 0.000 1.062 67 A CA 0.739 52.800 52.037 0.040 0.000 0.760 67 A CB 0.174 19.212 19.000 0.065 0.000 0.995 67 A HN 0.547 nan 8.150 nan 0.000 0.501 68 E N 0.872 121.095 120.200 0.037 0.000 2.134 68 E HA 0.486 4.806 4.350 -0.050 0.000 0.278 68 E C 0.220 176.867 176.600 0.079 0.000 0.959 68 E CA -0.270 56.150 56.400 0.033 0.000 0.783 68 E CB 1.512 31.238 29.700 0.044 0.000 1.095 68 E HN 0.823 nan 8.360 nan 0.000 0.399 69 T N -0.659 113.953 114.554 0.096 0.000 2.742 69 T HA 0.300 4.620 4.350 -0.050 0.000 0.282 69 T C -0.453 174.337 174.700 0.149 0.000 1.025 69 T CA -1.035 61.147 62.100 0.137 0.000 1.020 69 T CB 1.240 70.189 68.868 0.135 0.000 1.317 69 T HN 0.276 nan 8.240 nan 0.000 0.538 70 D N 0.138 120.600 120.400 0.103 0.000 2.414 70 D HA 0.224 4.834 4.640 -0.050 0.000 0.242 70 D C 1.658 177.855 176.300 -0.172 0.000 1.129 70 D CA -0.416 53.587 54.000 0.005 0.000 0.885 70 D CB 0.732 41.534 40.800 0.004 0.000 1.198 70 D HN 0.580 nan 8.370 nan 0.000 0.437 71 L N 1.710 122.783 121.223 -0.251 0.000 2.263 71 L HA -0.108 4.202 4.340 -0.050 0.000 0.216 71 L C 1.255 177.762 176.870 -0.605 0.000 1.111 71 L CA 1.589 56.223 54.840 -0.344 0.000 0.773 71 L CB -0.748 41.142 42.059 -0.282 0.000 0.906 71 L HN 0.359 nan 8.230 nan 0.000 0.439 72 D N 0.286 120.364 120.400 -0.537 0.000 2.221 72 D HA -0.141 4.469 4.640 -0.050 0.000 0.204 72 D C 2.099 177.713 176.300 -1.143 0.000 0.982 72 D CA 1.318 54.927 54.000 -0.651 0.000 0.857 72 D CB -0.050 40.492 40.800 -0.429 0.000 0.934 72 D HN 0.384 nan 8.370 nan 0.000 0.475 73 L N 0.319 120.918 121.223 -1.039 0.000 2.275 73 L HA 0.003 4.313 4.340 -0.050 0.000 0.215 73 L C 2.478 178.645 176.870 -1.172 0.000 1.119 73 L CA 1.090 55.329 54.840 -1.002 0.000 0.790 73 L CB -0.808 40.981 42.059 -0.450 0.000 0.919 73 L HN 0.017 nan 8.230 nan 0.000 0.443 74 G N -1.817 106.028 108.800 -1.591 0.000 2.402 74 G HA2 -0.241 3.689 3.960 -0.050 0.000 0.216 74 G HA3 -0.241 3.689 3.960 -0.050 0.000 0.216 74 G C 1.509 176.191 174.900 -0.363 0.000 1.162 74 G CA 0.435 44.752 45.100 -1.305 0.000 0.777 74 G HN 0.383 nan 8.290 nan 0.000 0.539 75 H N -0.189 118.724 119.070 -0.261 0.000 2.326 75 H HA -0.024 4.502 4.556 -0.050 0.000 0.301 75 H C 2.371 177.873 175.328 0.290 0.000 1.081 75 H CA 1.146 57.242 56.048 0.079 0.000 1.334 75 H CB -0.744 29.047 29.762 0.050 0.000 1.385 75 H HN 0.567 nan 8.280 nan 0.000 0.504 76 Y N 1.228 121.598 120.300 0.116 0.000 2.114 76 Y HA -0.243 4.277 4.550 -0.051 0.000 0.282 76 Y C 2.643 178.643 175.900 0.166 0.000 1.165 76 Y CA 0.760 58.923 58.100 0.104 0.000 1.148 76 Y CB -0.128 38.337 38.460 0.008 0.000 0.972 76 Y HN 0.282 nan 8.280 nan 0.000 0.504 77 E N 0.264 120.621 120.200 0.262 0.000 2.153 77 E HA -0.169 4.151 4.350 -0.050 0.000 0.194 77 E C 1.920 178.675 176.600 0.258 0.000 0.988 77 E CA 0.633 57.178 56.400 0.241 0.000 0.811 77 E CB -0.147 29.698 29.700 0.242 0.000 0.746 77 E HN 0.474 nan 8.360 nan 0.000 0.466 78 R N -0.804 119.866 120.500 0.284 0.000 2.323 78 R HA 0.023 4.333 4.340 -0.050 0.000 0.198 78 R C 0.900 177.311 176.300 0.185 0.000 0.988 78 R CA 0.453 56.682 56.100 0.216 0.000 1.041 78 R CB 0.201 30.642 30.300 0.234 0.000 0.926 78 R HN 0.155 nan 8.270 nan 0.000 0.476 79 F N -0.245 119.898 119.950 0.322 0.000 2.778 79 F HA 0.288 4.785 4.527 -0.049 0.000 0.314 79 F C 0.848 176.849 175.800 0.336 0.000 1.073 79 F CA -0.506 57.721 58.000 0.378 0.000 1.218 79 F CB 0.784 39.877 39.000 0.154 0.000 1.037 79 F HN -0.165 nan 8.300 nan 0.000 0.594 80 I N -2.912 117.894 120.570 0.392 0.000 3.002 80 I HA 0.501 4.641 4.170 -0.050 0.000 0.310 80 I C 0.469 176.705 176.117 0.198 0.000 1.087 80 I CA -0.922 60.536 61.300 0.263 0.000 1.017 80 I CB 2.226 40.334 38.000 0.180 0.000 1.226 80 I HN -0.186 nan 8.210 nan 0.000 0.443 81 R N 0.457 121.048 120.500 0.151 0.000 2.280 81 R HA 0.184 4.494 4.340 -0.050 0.000 0.195 81 R C 0.058 176.431 176.300 0.122 0.000 0.935 81 R CA 0.082 56.255 56.100 0.121 0.000 1.033 81 R CB 0.111 30.463 30.300 0.086 0.000 0.964 81 R HN 0.686 nan 8.270 nan 0.000 0.489 82 T N 2.217 116.847 114.554 0.128 0.000 2.928 82 T HA 0.037 4.357 4.350 -0.050 0.000 0.305 82 T C 0.293 175.080 174.700 0.144 0.000 1.035 82 T CA 0.377 62.557 62.100 0.132 0.000 1.145 82 T CB 0.725 69.668 68.868 0.124 0.000 0.963 82 T HN -0.115 nan 8.240 nan 0.000 0.545 83 K N 2.927 123.412 120.400 0.143 0.000 2.098 83 K HA 0.404 4.694 4.320 -0.050 0.000 0.261 83 K C 0.199 176.896 176.600 0.162 0.000 0.987 83 K CA -0.617 55.763 56.287 0.155 0.000 0.916 83 K CB 0.988 33.570 32.500 0.136 0.000 1.039 83 K HN 0.476 nan 8.250 nan 0.000 0.455 84 M N 1.050 120.765 119.600 0.192 0.000 2.314 84 M HA 0.195 4.645 4.480 -0.050 0.000 0.342 84 M C 0.696 177.094 176.300 0.163 0.000 1.171 84 M CA -0.221 55.194 55.300 0.192 0.000 1.098 84 M CB 1.005 33.750 32.600 0.242 0.000 1.559 84 M HN 0.732 nan 8.290 nan 0.000 0.459 85 S N 2.453 118.239 115.700 0.143 0.000 2.810 85 S HA 0.562 5.002 4.470 -0.050 0.000 0.315 85 S C 0.781 175.452 174.600 0.119 0.000 1.138 85 S CA -0.928 57.342 58.200 0.118 0.000 0.889 85 S CB 1.879 65.141 63.200 0.103 0.000 1.236 85 S HN 0.812 nan 8.310 nan 0.000 0.548 86 R N 0.893 121.453 120.500 0.099 0.000 2.241 86 R HA -0.041 4.269 4.340 -0.050 0.000 0.224 86 R C 1.599 177.974 176.300 0.126 0.000 1.101 86 R CA 1.322 57.485 56.100 0.104 0.000 0.995 86 R CB -0.484 29.865 30.300 0.082 0.000 0.870 86 R HN 0.830 nan 8.270 nan 0.000 0.463 87 R N 0.014 120.585 120.500 0.118 0.000 2.319 87 R HA 0.085 4.395 4.340 -0.050 0.000 0.204 87 R C -0.151 176.260 176.300 0.185 0.000 0.954 87 R CA 0.829 57.007 56.100 0.130 0.000 1.066 87 R CB -0.183 30.169 30.300 0.086 0.000 0.991 87 R HN 0.226 nan 8.270 nan 0.000 0.486 88 N N 0.125 118.936 118.700 0.185 0.000 2.205 88 N HA 0.073 4.783 4.740 -0.050 0.000 0.201 88 N C -1.073 174.545 175.510 0.181 0.000 1.128 88 N CA -0.161 53.001 53.050 0.186 0.000 0.867 88 N CB 0.727 39.320 38.487 0.176 0.000 0.996 88 N HN 0.280 nan 8.380 nan 0.000 0.503 89 N N 0.563 119.386 118.700 0.206 0.000 2.369 89 N HA 0.326 5.036 4.740 -0.050 0.000 0.287 89 N C -1.871 173.789 175.510 0.251 0.000 1.067 89 N CA -0.475 52.648 53.050 0.123 0.000 0.888 89 N CB 1.372 39.910 38.487 0.086 0.000 1.616 89 N HN -0.060 nan 8.380 nan 0.000 0.482 90 F N -0.471 119.476 119.950 -0.005 0.000 2.678 90 F HA 0.565 5.062 4.527 -0.050 0.000 0.308 90 F C -0.685 175.115 175.800 0.000 0.000 1.118 90 F CA -0.822 57.191 58.000 0.021 0.000 0.959 90 F CB 1.123 40.153 39.000 0.050 0.000 1.305 90 F HN 0.220 nan 8.300 nan 0.000 0.443 91 T N -2.263 112.421 114.554 0.215 0.000 2.949 91 T HA 0.380 4.700 4.350 -0.050 0.000 0.287 91 T C 0.552 175.459 174.700 0.345 0.000 1.034 91 T CA -0.077 62.092 62.100 0.115 0.000 1.018 91 T CB 1.463 70.349 68.868 0.030 0.000 1.135 91 T HN 0.743 nan 8.240 nan 0.000 0.532 92 T N 1.245 115.965 114.554 0.277 0.000 2.665 92 T HA -0.034 4.286 4.350 -0.050 0.000 0.268 92 T C 2.249 177.126 174.700 0.296 0.000 1.035 92 T CA 2.070 64.308 62.100 0.231 0.000 1.151 92 T CB -1.105 67.794 68.868 0.052 0.000 0.862 92 T HN 0.873 nan 8.240 nan 0.000 0.438 93 G N 1.268 110.199 108.800 0.219 0.000 2.440 93 G HA2 -0.307 3.623 3.960 -0.050 0.000 0.218 93 G HA3 -0.307 3.623 3.960 -0.050 0.000 0.218 93 G C 1.605 176.639 174.900 0.223 0.000 1.154 93 G CA 1.270 46.490 45.100 0.199 0.000 0.767 93 G HN 0.404 nan 8.290 nan 0.000 0.552 94 R N 0.339 120.977 120.500 0.231 0.000 2.081 94 R HA -0.024 4.286 4.340 -0.050 0.000 0.235 94 R C 2.462 178.874 176.300 0.187 0.000 1.131 94 R CA 1.157 57.377 56.100 0.200 0.000 0.960 94 R CB -0.434 30.002 30.300 0.226 0.000 0.856 94 R HN 0.339 nan 8.270 nan 0.000 0.436 95 I N -0.179 120.536 120.570 0.242 0.000 2.142 95 I HA -0.270 3.870 4.170 -0.050 0.000 0.240 95 I C 1.961 178.127 176.117 0.081 0.000 1.078 95 I CA 1.566 62.960 61.300 0.156 0.000 1.343 95 I CB -1.227 36.878 38.000 0.175 0.000 1.046 95 I HN 0.158 nan 8.210 nan 0.000 0.405 96 Y N 1.206 121.548 120.300 0.069 0.000 2.128 96 Y HA -0.264 4.255 4.550 -0.052 0.000 0.284 96 Y C 3.175 179.107 175.900 0.053 0.000 1.154 96 Y CA 2.222 60.350 58.100 0.047 0.000 1.149 96 Y CB -0.757 37.721 38.460 0.029 0.000 0.976 96 Y HN 0.149 nan 8.280 nan 0.000 0.505 97 S N -0.092 115.744 115.700 0.226 0.000 2.387 97 S HA -0.228 4.212 4.470 -0.050 0.000 0.230 97 S C 1.678 176.338 174.600 0.100 0.000 1.035 97 S CA 2.008 60.292 58.200 0.141 0.000 1.014 97 S CB -0.414 62.858 63.200 0.119 0.000 0.836 97 S HN 0.451 nan 8.310 nan 0.000 0.466 98 D N 0.687 121.139 120.400 0.087 0.000 2.084 98 D HA -0.040 4.570 4.640 -0.050 0.000 0.196 98 D C 2.183 178.528 176.300 0.075 0.000 0.985 98 D CA 1.388 55.424 54.000 0.060 0.000 0.826 98 D CB -0.807 40.014 40.800 0.036 0.000 0.978 98 D HN 0.336 nan 8.370 nan 0.000 0.456 99 V N 1.183 121.140 119.914 0.072 0.000 2.287 99 V HA -0.232 3.858 4.120 -0.050 0.000 0.248 99 V C 2.668 178.853 176.094 0.151 0.000 1.053 99 V CA 1.194 63.568 62.300 0.123 0.000 1.027 99 V CB -0.634 31.182 31.823 -0.013 0.000 0.646 99 V HN 0.196 nan 8.190 nan 0.000 0.447 100 L N 0.075 121.359 121.223 0.102 0.000 1.997 100 L HA -0.281 4.029 4.340 -0.050 0.000 0.216 100 L C 2.831 179.758 176.870 0.095 0.000 1.074 100 L CA 2.585 57.486 54.840 0.100 0.000 0.763 100 L CB -0.717 41.405 42.059 0.104 0.000 0.890 100 L HN 0.385 nan 8.230 nan 0.000 0.434 101 R N 0.639 121.185 120.500 0.078 0.000 2.075 101 R HA -0.214 4.096 4.340 -0.050 0.000 0.232 101 R C 2.274 178.595 176.300 0.036 0.000 1.126 101 R CA 1.781 57.911 56.100 0.050 0.000 0.963 101 R CB -0.217 30.105 30.300 0.037 0.000 0.858 101 R HN 0.206 nan 8.270 nan 0.000 0.435 102 K N 0.597 121.025 120.400 0.046 0.000 2.057 102 K HA -0.180 4.110 4.320 -0.050 0.000 0.207 102 K C 2.216 178.791 176.600 -0.042 0.000 1.049 102 K CA 1.741 58.003 56.287 -0.042 0.000 0.931 102 K CB -0.059 32.403 32.500 -0.064 0.000 0.714 102 K HN 0.248 nan 8.250 nan 0.000 0.440 103 E N 0.932 121.250 120.200 0.197 0.000 2.051 103 E HA -0.212 4.108 4.350 -0.050 0.000 0.192 103 E C 1.819 178.487 176.600 0.113 0.000 0.991 103 E CA 1.283 57.861 56.400 0.298 0.000 0.799 103 E CB 0.081 29.959 29.700 0.297 0.000 0.748 103 E HN 0.262 nan 8.360 nan 0.000 0.449 104 R N 0.199 120.742 120.500 0.071 0.000 2.193 104 R HA -0.097 4.213 4.340 -0.050 0.000 0.229 104 R C 2.129 178.437 176.300 0.014 0.000 1.110 104 R CA 1.456 57.579 56.100 0.038 0.000 0.988 104 R CB -0.348 29.971 30.300 0.032 0.000 0.871 104 R HN 0.158 nan 8.270 nan 0.000 0.458 105 R N -0.084 120.413 120.500 -0.005 0.000 2.568 105 R HA 0.192 4.502 4.340 -0.050 0.000 0.288 105 R C 0.507 176.781 176.300 -0.044 0.000 1.077 105 R CA 0.478 56.562 56.100 -0.026 0.000 1.102 105 R CB 0.035 30.315 30.300 -0.033 0.000 1.278 105 R HN 0.099 nan 8.270 nan 0.000 0.560 106 G N 1.508 110.292 108.800 -0.027 0.000 2.233 106 G HA2 -0.320 3.610 3.960 -0.050 0.000 0.270 106 G HA3 -0.320 3.610 3.960 -0.050 0.000 0.270 106 G C -0.035 174.818 174.900 -0.079 0.000 1.011 106 G CA 0.714 45.800 45.100 -0.025 0.000 0.762 106 G HN 0.524 nan 8.290 nan 0.000 0.511 107 D N -0.872 119.413 120.400 -0.192 0.000 2.263 107 D HA -0.043 4.567 4.640 -0.050 0.000 0.208 107 D C 1.768 177.870 176.300 -0.330 0.000 0.971 107 D CA 1.161 54.971 54.000 -0.317 0.000 0.867 107 D CB -0.230 40.284 40.800 -0.477 0.000 0.929 107 D HN 0.705 nan 8.370 nan 0.000 0.492 108 Y N -0.051 120.252 120.300 0.005 0.000 2.523 108 Y HA 0.238 4.759 4.550 -0.049 0.000 0.279 108 Y C 0.693 176.598 175.900 0.007 0.000 1.139 108 Y CA -0.286 57.822 58.100 0.013 0.000 1.296 108 Y CB 0.035 38.480 38.460 -0.024 0.000 1.045 108 Y HN -0.231 nan 8.280 nan 0.000 0.538 109 L N 0.315 121.595 121.223 0.095 0.000 3.632 109 L HA -0.290 4.020 4.340 -0.050 0.000 0.510 109 L C 1.238 178.145 176.870 0.060 0.000 1.299 109 L CA 0.546 55.421 54.840 0.059 0.000 0.829 109 L CB -2.186 39.900 42.059 0.046 0.000 1.559 109 L HN 0.554 nan 8.230 nan 0.000 0.857 110 G N -1.384 107.450 108.800 0.057 0.000 2.196 110 G HA2 -0.217 3.713 3.960 -0.050 0.000 0.268 110 G HA3 -0.217 3.713 3.960 -0.050 0.000 0.268 110 G C 0.607 175.523 174.900 0.027 0.000 0.975 110 G CA 0.561 45.681 45.100 0.034 0.000 0.648 110 G HN 1.557 nan 8.290 nan 0.000 0.538 111 A N -0.067 122.783 122.820 0.049 0.000 2.366 111 A HA 0.632 4.922 4.320 -0.050 0.000 0.249 111 A C 0.897 178.448 177.584 -0.055 0.000 1.084 111 A CA 0.981 53.034 52.037 0.028 0.000 0.794 111 A CB 0.247 19.300 19.000 0.087 0.000 1.034 111 A HN 0.845 nan 8.150 nan 0.000 0.491 112 T N 1.459 115.968 114.554 -0.075 0.000 2.834 112 T HA 0.362 4.682 4.350 -0.050 0.000 0.298 112 T C 0.077 174.557 174.700 -0.367 0.000 0.966 112 T CA -0.155 61.858 62.100 -0.145 0.000 1.141 112 T CB 0.300 69.123 68.868 -0.075 0.000 0.905 112 T HN 0.394 nan 8.240 nan 0.000 0.535 113 V N 5.071 124.689 119.914 -0.495 0.000 2.432 113 V HA 0.328 4.418 4.120 -0.050 0.000 0.275 113 V C 0.264 176.066 176.094 -0.487 0.000 1.043 113 V CA -0.374 61.368 62.300 -0.929 0.000 0.925 113 V CB 0.976 32.291 31.823 -0.847 0.000 0.985 113 V HN 0.833 nan 8.190 nan 0.000 0.466 114 Q N 2.406 122.023 119.800 -0.306 0.000 2.544 114 Q HA 0.440 4.750 4.340 -0.050 0.000 0.291 114 Q C 0.658 176.670 176.000 0.020 0.000 1.068 114 Q CA -0.913 54.866 55.803 -0.040 0.000 0.785 114 Q CB 2.438 31.195 28.738 0.031 0.000 1.481 114 Q HN 0.351 nan 8.270 nan 0.000 0.430 115 V N 0.377 120.284 119.914 -0.012 0.000 2.282 115 V HA -0.167 3.923 4.120 -0.050 0.000 0.249 115 V C 0.836 176.912 176.094 -0.029 0.000 1.057 115 V CA 1.701 63.980 62.300 -0.034 0.000 1.032 115 V CB -0.120 31.703 31.823 -0.001 0.000 0.645 115 V HN 0.520 nan 8.190 nan 0.000 0.447 116 I N 1.321 121.886 120.570 -0.009 0.000 2.382 116 I HA 0.273 4.413 4.170 -0.050 0.000 0.286 116 I C -1.910 174.193 176.117 -0.023 0.000 1.002 116 I CA -1.376 59.904 61.300 -0.032 0.000 1.135 116 I CB 2.237 40.218 38.000 -0.031 0.000 1.288 116 I HN 0.142 nan 8.210 nan 0.000 0.448 117 P HA 0.173 nan 4.420 nan 0.000 0.281 117 P C 0.848 177.970 177.300 -0.297 0.000 1.291 117 P CA 0.433 63.394 63.100 -0.231 0.000 0.906 117 P CB 0.326 31.842 31.700 -0.306 0.000 1.388 118 H N 0.569 119.559 119.070 -0.133 0.000 2.289 118 H HA -0.095 4.431 4.556 -0.051 0.000 0.296 118 H C 2.019 177.263 175.328 -0.140 0.000 1.091 118 H CA 1.507 57.454 56.048 -0.167 0.000 1.274 118 H CB -0.940 28.598 29.762 -0.373 0.000 1.364 118 H HN 0.007 nan 8.280 nan 0.000 0.490 119 I N 0.796 121.317 120.570 -0.082 0.000 2.202 119 I HA -0.212 3.928 4.170 -0.050 0.000 0.242 119 I C 2.509 178.588 176.117 -0.064 0.000 1.091 119 I CA 1.911 63.119 61.300 -0.152 0.000 1.368 119 I CB -1.390 36.440 38.000 -0.283 0.000 1.058 119 I HN 0.479 nan 8.210 nan 0.000 0.410 120 T N -0.709 113.812 114.554 -0.054 0.000 2.833 120 T HA -0.135 4.185 4.350 -0.050 0.000 0.269 120 T C 1.720 176.413 174.700 -0.011 0.000 1.054 120 T CA 1.303 63.393 62.100 -0.017 0.000 1.135 120 T CB -0.483 68.367 68.868 -0.029 0.000 0.869 120 T HN 0.153 nan 8.240 nan 0.000 0.466 121 N N 2.171 120.845 118.700 -0.044 0.000 2.166 121 N HA 0.103 4.813 4.740 -0.050 0.000 0.186 121 N C 2.213 177.718 175.510 -0.007 0.000 1.019 121 N CA 1.472 54.501 53.050 -0.036 0.000 0.856 121 N CB -0.825 37.625 38.487 -0.062 0.000 0.993 121 N HN 0.626 nan 8.380 nan 0.000 0.426 122 A N 0.730 123.551 122.820 0.002 0.000 1.933 122 A HA -0.049 4.241 4.320 -0.050 0.000 0.218 122 A C 2.300 179.886 177.584 0.003 0.000 1.175 122 A CA 0.841 52.879 52.037 0.001 0.000 0.628 122 A CB -0.547 18.455 19.000 0.003 0.000 0.814 122 A HN 0.227 nan 8.150 nan 0.000 0.444 123 I N -0.494 120.125 120.570 0.081 0.000 2.202 123 I HA -0.251 3.889 4.170 -0.050 0.000 0.242 123 I C 2.411 178.610 176.117 0.138 0.000 1.091 123 I CA 1.436 62.862 61.300 0.210 0.000 1.368 123 I CB -0.285 37.925 38.000 0.350 0.000 1.058 123 I HN 0.274 nan 8.210 nan 0.000 0.410 124 K N 0.701 121.146 120.400 0.074 0.000 2.074 124 K HA -0.237 4.053 4.320 -0.050 0.000 0.209 124 K C 1.974 178.580 176.600 0.009 0.000 1.048 124 K CA 1.623 57.928 56.287 0.030 0.000 0.926 124 K CB -0.258 32.238 32.500 -0.006 0.000 0.713 124 K HN 0.401 nan 8.250 nan 0.000 0.444 125 E N 0.508 120.701 120.200 -0.011 0.000 2.058 125 E HA -0.185 4.135 4.350 -0.050 0.000 0.194 125 E C 2.172 178.743 176.600 -0.049 0.000 0.997 125 E CA 1.120 57.502 56.400 -0.029 0.000 0.801 125 E CB 0.004 29.678 29.700 -0.043 0.000 0.746 125 E HN 0.242 nan 8.360 nan 0.000 0.450 126 R N 0.297 120.725 120.500 -0.120 0.000 2.092 126 R HA -0.091 4.219 4.340 -0.050 0.000 0.231 126 R C 2.447 178.744 176.300 -0.005 0.000 1.119 126 R CA 0.873 56.839 56.100 -0.223 0.000 0.970 126 R CB -0.287 29.530 30.300 -0.805 0.000 0.864 126 R HN 0.073 nan 8.270 nan 0.000 0.440 127 V N 1.770 121.752 119.914 0.112 0.000 2.237 127 V HA -0.252 3.838 4.120 -0.050 0.000 0.245 127 V C 2.377 178.578 176.094 0.179 0.000 1.046 127 V CA 1.753 64.172 62.300 0.199 0.000 1.007 127 V CB -0.451 31.483 31.823 0.185 0.000 0.638 127 V HN 0.263 nan 8.190 nan 0.000 0.445 128 L N -0.117 121.170 121.223 0.105 0.000 2.079 128 L HA -0.249 4.061 4.340 -0.050 0.000 0.210 128 L C 2.601 179.554 176.870 0.137 0.000 1.081 128 L CA 2.119 57.044 54.840 0.140 0.000 0.752 128 L CB -0.658 41.438 42.059 0.061 0.000 0.896 128 L HN 0.460 nan 8.230 nan 0.000 0.433 129 E N 0.273 120.522 120.200 0.081 0.000 2.110 129 E HA -0.195 4.125 4.350 -0.050 0.000 0.193 129 E C 2.136 178.791 176.600 0.093 0.000 0.988 129 E CA 1.214 57.651 56.400 0.061 0.000 0.804 129 E CB -0.102 29.605 29.700 0.012 0.000 0.745 129 E HN 0.491 nan 8.360 nan 0.000 0.458 130 G N -0.365 108.506 108.800 0.118 0.000 2.551 130 G HA2 -0.073 3.857 3.960 -0.050 0.000 0.216 130 G HA3 -0.073 3.857 3.960 -0.050 0.000 0.216 130 G C 1.359 176.331 174.900 0.120 0.000 1.137 130 G CA 0.452 45.627 45.100 0.126 0.000 0.798 130 G HN 0.357 nan 8.290 nan 0.000 0.536 131 G N -0.289 108.609 108.800 0.163 0.000 3.088 131 G HA2 0.106 4.036 3.960 -0.050 0.000 0.217 131 G HA3 0.106 4.036 3.960 -0.050 0.000 0.217 131 G C 0.516 175.528 174.900 0.188 0.000 1.159 131 G CA -0.295 44.866 45.100 0.101 0.000 0.760 131 G HN 0.219 nan 8.290 nan 0.000 0.550 132 E N 1.658 121.967 120.200 0.182 0.000 3.306 132 E HA 0.039 4.359 4.350 -0.050 0.000 0.230 132 E C 1.168 177.796 176.600 0.046 0.000 0.992 132 E CA 0.795 57.260 56.400 0.108 0.000 0.938 132 E CB -0.756 28.992 29.700 0.079 0.000 0.904 132 E HN 0.509 nan 8.360 nan 0.000 0.568 133 G N 4.854 113.641 108.800 -0.022 0.000 2.374 133 G HA2 -0.235 3.695 3.960 -0.050 0.000 0.289 133 G HA3 -0.235 3.695 3.960 -0.050 0.000 0.289 133 G C -0.253 174.484 174.900 -0.272 0.000 1.004 133 G CA 0.427 45.454 45.100 -0.122 0.000 1.292 133 G HN 0.702 nan 8.290 nan 0.000 0.502 134 H N -0.553 118.436 119.070 -0.135 0.000 2.928 134 H HA 0.256 4.783 4.556 -0.050 0.000 0.371 134 H C 0.396 175.611 175.328 -0.187 0.000 1.186 134 H CA -0.526 55.437 56.048 -0.140 0.000 1.134 134 H CB 1.902 31.569 29.762 -0.159 0.000 1.824 134 H HN 0.224 nan 8.280 nan 0.000 0.554 135 D N 0.583 120.968 120.400 -0.025 0.000 2.162 135 D HA 0.017 4.627 4.640 -0.050 0.000 0.203 135 D C 0.433 176.618 176.300 -0.192 0.000 0.967 135 D CA 1.042 54.981 54.000 -0.101 0.000 0.840 135 D CB 0.878 41.647 40.800 -0.051 0.000 0.972 135 D HN 0.037 nan 8.370 nan 0.000 0.482 136 V N 1.375 121.193 119.914 -0.161 0.000 2.686 136 V HA 0.310 4.400 4.120 -0.050 0.000 0.306 136 V C -0.331 175.590 176.094 -0.290 0.000 1.065 136 V CA -0.890 61.262 62.300 -0.246 0.000 0.894 136 V CB 2.757 34.518 31.823 -0.104 0.000 1.004 136 V HN -0.230 nan 8.190 nan 0.000 0.424 137 V N 5.504 125.162 119.914 -0.428 0.000 2.378 137 V HA 0.497 4.587 4.120 -0.050 0.000 0.288 137 V C -0.502 175.417 176.094 -0.292 0.000 1.016 137 V CA -0.569 61.494 62.300 -0.395 0.000 0.840 137 V CB 1.469 33.009 31.823 -0.471 0.000 0.994 137 V HN 0.641 nan 8.190 nan 0.000 0.431 138 L N 5.633 126.707 121.223 -0.249 0.000 2.260 138 L HA 0.457 4.767 4.340 -0.050 0.000 0.289 138 L C -0.044 176.723 176.870 -0.171 0.000 1.057 138 L CA 0.123 54.834 54.840 -0.215 0.000 0.811 138 L CB 1.600 43.517 42.059 -0.237 0.000 1.184 138 L HN 0.467 nan 8.230 nan 0.000 0.429 139 V N 3.273 123.125 119.914 -0.103 0.000 2.294 139 V HA 0.268 4.358 4.120 -0.050 0.000 0.272 139 V C 0.242 176.354 176.094 0.029 0.000 1.027 139 V CA -0.722 61.583 62.300 0.009 0.000 0.823 139 V CB 0.995 32.925 31.823 0.179 0.000 1.030 139 V HN 0.692 nan 8.190 nan 0.000 0.457 140 E N 4.997 125.183 120.200 -0.023 0.000 2.167 140 E HA 0.317 4.637 4.350 -0.050 0.000 0.284 140 E C -0.877 175.697 176.600 -0.044 0.000 1.016 140 E CA -0.711 55.689 56.400 -0.000 0.000 0.817 140 E CB 0.906 30.627 29.700 0.036 0.000 1.080 140 E HN 0.460 nan 8.360 nan 0.000 0.397 141 I N 4.463 125.032 120.570 -0.001 0.000 2.312 141 I HA 0.203 4.343 4.170 -0.050 0.000 0.291 141 I C 1.062 177.176 176.117 -0.005 0.000 1.031 141 I CA -0.144 61.128 61.300 -0.046 0.000 1.293 141 I CB 0.413 38.449 38.000 0.059 0.000 1.403 141 I HN 0.559 nan 8.210 nan 0.000 0.484 142 G N 3.827 112.594 108.800 -0.056 0.000 2.667 142 G HA2 0.493 4.423 3.960 -0.050 0.000 0.250 142 G HA3 0.493 4.423 3.960 -0.050 0.000 0.250 142 G C 0.346 175.299 174.900 0.088 0.000 1.212 142 G CA 0.406 45.514 45.100 0.014 0.000 0.874 142 G HN 1.068 nan 8.290 nan 0.000 0.561 143 G N -1.226 107.631 108.800 0.095 0.000 2.796 143 G HA2 0.180 4.110 3.960 -0.050 0.000 0.571 143 G HA3 0.180 4.110 3.960 -0.050 0.000 0.571 143 G C -0.220 174.737 174.900 0.095 0.000 1.370 143 G CA -0.101 45.063 45.100 0.107 0.000 0.856 143 G HN 1.303 nan 8.290 nan 0.000 0.538 144 T N 0.275 114.882 114.554 0.090 0.000 2.779 144 T HA 0.551 4.871 4.350 -0.050 0.000 0.280 144 T C 0.667 175.425 174.700 0.097 0.000 0.987 144 T CA -0.292 61.861 62.100 0.088 0.000 0.966 144 T CB 1.864 70.772 68.868 0.068 0.000 0.933 144 T HN 1.045 nan 8.240 nan 0.000 0.442 145 V N 3.180 123.171 119.914 0.129 0.000 2.644 145 V HA 0.317 4.407 4.120 -0.050 0.000 0.305 145 V C 1.573 177.710 176.094 0.072 0.000 1.053 145 V CA 1.998 64.364 62.300 0.111 0.000 1.186 145 V CB 0.241 32.161 31.823 0.162 0.000 0.895 145 V HN 1.309 nan 8.190 nan 0.000 0.490 146 G N 3.452 112.277 108.800 0.041 0.000 2.201 146 G HA2 -0.154 3.776 3.960 -0.050 0.000 0.212 146 G HA3 -0.154 3.776 3.960 -0.050 0.000 0.212 146 G C -0.086 174.828 174.900 0.023 0.000 0.994 146 G CA 0.013 45.128 45.100 0.025 0.000 0.644 146 G HN 0.658 nan 8.290 nan 0.000 0.508 147 D N -0.307 120.113 120.400 0.033 0.000 2.340 147 D HA 0.438 5.048 4.640 -0.050 0.000 0.251 147 D C 1.439 177.749 176.300 0.017 0.000 1.080 147 D CA -0.461 53.556 54.000 0.028 0.000 0.971 147 D CB 1.849 42.673 40.800 0.040 0.000 1.137 147 D HN 0.025 nan 8.370 nan 0.000 0.475 148 I N 0.652 121.227 120.570 0.008 0.000 2.353 148 I HA -0.215 3.925 4.170 -0.050 0.000 0.248 148 I C 1.843 177.953 176.117 -0.012 0.000 1.119 148 I CA 0.902 62.199 61.300 -0.005 0.000 1.417 148 I CB 0.225 38.219 38.000 -0.009 0.000 1.078 148 I HN 0.236 nan 8.210 nan 0.000 0.421 149 E N 0.746 120.946 120.200 0.000 0.000 2.130 149 E HA -0.229 4.091 4.350 -0.050 0.000 0.196 149 E C 2.042 178.623 176.600 -0.033 0.000 0.998 149 E CA 1.748 58.145 56.400 -0.005 0.000 0.806 149 E CB -0.425 29.299 29.700 0.040 0.000 0.738 149 E HN 0.590 nan 8.360 nan 0.000 0.459 150 S N -0.083 115.624 115.700 0.011 0.000 2.556 150 S HA 0.158 4.598 4.470 -0.050 0.000 0.216 150 S C 1.982 176.582 174.600 -0.000 0.000 0.970 150 S CA -0.279 57.949 58.200 0.046 0.000 0.912 150 S CB -0.250 63.042 63.200 0.154 0.000 0.790 150 S HN 0.078 nan 8.310 nan 0.000 0.504 151 L N 1.676 122.877 121.223 -0.037 0.000 1.997 151 L HA -0.087 4.223 4.340 -0.050 0.000 0.216 151 L C -0.357 176.482 176.870 -0.052 0.000 1.074 151 L CA 1.791 56.611 54.840 -0.034 0.000 0.763 151 L CB -1.962 40.077 42.059 -0.033 0.000 0.890 151 L HN 0.281 nan 8.230 nan 0.000 0.434 152 P HA -0.220 nan 4.420 nan 0.000 0.215 152 P C 1.738 179.008 177.300 -0.049 0.000 1.157 152 P CA 1.738 64.756 63.100 -0.137 0.000 0.868 152 P CB -0.156 31.398 31.700 -0.244 0.000 0.788 153 F N -0.666 119.298 119.950 0.023 0.000 2.126 153 F HA -0.152 4.345 4.527 -0.051 0.000 0.299 153 F C 2.491 178.279 175.800 -0.020 0.000 1.096 153 F CA 0.506 58.510 58.000 0.008 0.000 1.255 153 F CB -0.866 38.131 39.000 -0.005 0.000 0.997 153 F HN -0.223 nan 8.300 nan 0.000 0.479 154 L N -0.241 121.086 121.223 0.173 0.000 2.056 154 L HA -0.196 4.114 4.340 -0.050 0.000 0.207 154 L C 2.425 179.305 176.870 0.016 0.000 1.078 154 L CA 1.234 56.120 54.840 0.076 0.000 0.749 154 L CB -0.579 41.506 42.059 0.045 0.000 0.901 154 L HN 0.071 nan 8.230 nan 0.000 0.433 155 E N 0.789 120.994 120.200 0.008 0.000 2.072 155 E HA -0.186 4.134 4.350 -0.050 0.000 0.191 155 E C 2.114 178.703 176.600 -0.018 0.000 0.985 155 E CA 1.532 57.922 56.400 -0.016 0.000 0.801 155 E CB -0.117 29.570 29.700 -0.021 0.000 0.750 155 E HN 0.340 nan 8.360 nan 0.000 0.452 156 A N 1.364 124.187 122.820 0.006 0.000 1.865 156 A HA -0.158 4.132 4.320 -0.050 0.000 0.217 156 A C 2.416 179.951 177.584 -0.082 0.000 1.191 156 A CA 1.980 54.016 52.037 -0.001 0.000 0.623 156 A CB -1.112 17.938 19.000 0.083 0.000 0.826 156 A HN 0.540 nan 8.150 nan 0.000 0.444 157 I N -2.952 117.521 120.570 -0.162 0.000 2.493 157 I HA -0.154 3.986 4.170 -0.050 0.000 0.254 157 I C 2.352 178.292 176.117 -0.295 0.000 1.160 157 I CA 1.810 62.798 61.300 -0.520 0.000 1.445 157 I CB -0.424 36.957 38.000 -1.031 0.000 1.086 157 I HN 0.286 nan 8.210 nan 0.000 0.433 158 R N 1.191 121.655 120.500 -0.059 0.000 2.083 158 R HA -0.200 4.110 4.340 -0.050 0.000 0.237 158 R C 2.373 178.687 176.300 0.023 0.000 1.137 158 R CA 2.224 58.346 56.100 0.036 0.000 0.951 158 R CB -0.304 29.977 30.300 -0.032 0.000 0.851 158 R HN 0.553 nan 8.270 nan 0.000 0.434 159 Q N -0.109 119.678 119.800 -0.021 0.000 2.030 159 Q HA -0.215 4.095 4.340 -0.050 0.000 0.204 159 Q C 2.312 178.307 176.000 -0.010 0.000 0.986 159 Q CA 2.229 58.023 55.803 -0.015 0.000 0.843 159 Q CB -0.153 28.567 28.738 -0.029 0.000 0.904 159 Q HN 0.400 nan 8.270 nan 0.000 0.420 160 M N -0.001 119.569 119.600 -0.050 0.000 2.073 160 M HA -0.260 4.190 4.480 -0.050 0.000 0.258 160 M C 2.399 178.728 176.300 0.049 0.000 1.070 160 M CA 1.685 56.964 55.300 -0.036 0.000 1.103 160 M CB -0.474 32.078 32.600 -0.080 0.000 1.321 160 M HN 0.314 nan 8.290 nan 0.000 0.405 161 A N -0.328 122.551 122.820 0.100 0.000 1.883 161 A HA -0.142 4.148 4.320 -0.050 0.000 0.217 161 A C 2.220 179.903 177.584 0.165 0.000 1.186 161 A CA 1.943 54.111 52.037 0.218 0.000 0.624 161 A CB -1.098 18.133 19.000 0.384 0.000 0.822 161 A HN 0.325 nan 8.150 nan 0.000 0.444 162 V N 0.137 120.122 119.914 0.119 0.000 2.295 162 V HA -0.268 3.822 4.120 -0.050 0.000 0.246 162 V C 2.652 178.786 176.094 0.066 0.000 1.049 162 V CA 2.612 64.962 62.300 0.083 0.000 1.024 162 V CB -0.701 31.151 31.823 0.049 0.000 0.648 162 V HN 0.835 nan 8.190 nan 0.000 0.447 163 E N 0.713 120.942 120.200 0.049 0.000 2.017 163 E HA -0.218 4.102 4.350 -0.050 0.000 0.193 163 E C 1.938 178.574 176.600 0.060 0.000 0.997 163 E CA 2.080 58.503 56.400 0.039 0.000 0.804 163 E CB -0.474 29.235 29.700 0.015 0.000 0.757 163 E HN 0.574 nan 8.360 nan 0.000 0.448 164 I N 0.057 120.672 120.570 0.076 0.000 2.394 164 I HA 0.032 4.172 4.170 -0.050 0.000 0.251 164 I C 1.237 177.446 176.117 0.154 0.000 1.136 164 I CA 0.695 62.064 61.300 0.114 0.000 1.425 164 I CB -0.654 37.418 38.000 0.120 0.000 1.079 164 I HN 0.398 nan 8.210 nan 0.000 0.425 165 G N 1.384 110.267 108.800 0.139 0.000 2.730 165 G HA2 -0.239 3.691 3.960 -0.050 0.000 0.686 165 G HA3 -0.239 3.691 3.960 -0.050 0.000 0.686 165 G C 0.617 175.598 174.900 0.136 0.000 1.343 165 G CA -0.065 45.111 45.100 0.127 0.000 0.826 165 G HN 0.479 nan 8.290 nan 0.000 0.582 166 R N -0.112 120.452 120.500 0.106 0.000 2.339 166 R HA 0.050 4.360 4.340 -0.050 0.000 0.199 166 R C 1.185 177.511 176.300 0.043 0.000 1.018 166 R CA 1.617 57.780 56.100 0.104 0.000 1.036 166 R CB 0.025 30.383 30.300 0.097 0.000 0.899 166 R HN 0.516 nan 8.270 nan 0.000 0.473 167 E N 0.742 120.901 120.200 -0.068 0.000 2.299 167 E HA -0.064 4.256 4.350 -0.050 0.000 0.193 167 E C 0.514 176.780 176.600 -0.556 0.000 0.998 167 E CA 0.798 57.002 56.400 -0.326 0.000 0.851 167 E CB 0.162 29.573 29.700 -0.482 0.000 0.795 167 E HN 0.636 nan 8.360 nan 0.000 0.492 168 H N -0.508 118.651 119.070 0.147 0.000 2.885 168 H HA 0.192 4.718 4.556 -0.050 0.000 0.254 168 H C 0.053 175.350 175.328 -0.052 0.000 1.185 168 H CA 0.157 56.145 56.048 -0.098 0.000 1.029 168 H CB 0.688 30.370 29.762 -0.133 0.000 1.743 168 H HN -0.007 nan 8.280 nan 0.000 0.632 169 T N -0.610 114.133 114.554 0.315 0.000 2.912 169 T HA 0.701 5.021 4.350 -0.050 0.000 0.299 169 T C -0.509 174.371 174.700 0.301 0.000 1.052 169 T CA -0.729 61.524 62.100 0.254 0.000 0.996 169 T CB 2.498 71.508 68.868 0.236 0.000 1.070 169 T HN 0.051 nan 8.240 nan 0.000 0.465 170 L N 1.994 123.311 121.223 0.156 0.000 2.434 170 L HA 0.643 4.953 4.340 -0.050 0.000 0.260 170 L C -1.503 175.384 176.870 0.027 0.000 0.983 170 L CA -1.050 53.867 54.840 0.129 0.000 0.820 170 L CB 2.471 44.566 42.059 0.059 0.000 1.361 170 L HN 0.693 nan 8.230 nan 0.000 0.410 171 F N 3.024 123.108 119.950 0.224 0.000 2.444 171 F HA 0.535 5.037 4.527 -0.041 0.000 0.342 171 F C 0.203 176.103 175.800 0.166 0.000 1.121 171 F CA -0.351 57.792 58.000 0.238 0.000 0.997 171 F CB 1.880 40.994 39.000 0.190 0.000 1.130 171 F HN 0.260 nan 8.300 nan 0.000 0.454 172 M N 5.062 124.849 119.600 0.312 0.000 2.125 172 M HA 0.376 4.826 4.480 -0.050 0.000 0.321 172 M C -1.862 174.589 176.300 0.252 0.000 0.983 172 M CA -0.515 54.911 55.300 0.210 0.000 0.934 172 M CB 0.755 33.417 32.600 0.104 0.000 1.542 172 M HN 0.732 nan 8.290 nan 0.000 0.424 173 H N 4.079 123.208 119.070 0.098 0.000 2.547 173 H HA 0.566 5.093 4.556 -0.048 0.000 0.342 173 H C -1.868 173.482 175.328 0.036 0.000 1.048 173 H CA -0.367 55.727 56.048 0.076 0.000 1.204 173 H CB 1.173 30.980 29.762 0.074 0.000 1.493 173 H HN 0.686 nan 8.280 nan 0.000 0.511 174 L N 3.829 124.837 121.223 -0.359 0.000 2.334 174 L HA 0.519 4.829 4.340 -0.050 0.000 0.277 174 L C 0.406 177.012 176.870 -0.439 0.000 1.075 174 L CA 0.114 54.778 54.840 -0.293 0.000 0.804 174 L CB 1.751 43.708 42.059 -0.171 0.000 1.174 174 L HN 0.769 nan 8.230 nan 0.000 0.438 175 T N 2.419 116.835 114.554 -0.230 0.000 2.889 175 T HA 0.518 4.838 4.350 -0.050 0.000 0.315 175 T C -1.601 173.052 174.700 -0.078 0.000 1.291 175 T CA -0.578 61.427 62.100 -0.158 0.000 1.028 175 T CB 0.963 69.771 68.868 -0.101 0.000 1.235 175 T HN 0.389 nan 8.240 nan 0.000 0.491 176 L N 4.426 125.620 121.223 -0.048 0.000 2.290 176 L HA 0.738 5.048 4.340 -0.050 0.000 0.284 176 L C -0.904 175.956 176.870 -0.016 0.000 1.078 176 L CA -0.077 54.746 54.840 -0.027 0.000 0.815 176 L CB 1.052 43.102 42.059 -0.014 0.000 1.162 176 L HN 0.442 nan 8.230 nan 0.000 0.435 177 V N 7.874 127.783 119.914 -0.008 0.000 2.289 177 V HA 0.379 4.469 4.120 -0.050 0.000 0.272 177 V C -2.043 174.065 176.094 0.023 0.000 1.026 177 V CA -1.404 60.897 62.300 0.001 0.000 0.807 177 V CB 0.905 32.730 31.823 0.003 0.000 1.044 177 V HN 0.745 nan 8.190 nan 0.000 0.443 178 P HA 0.091 nan 4.420 nan 0.000 0.270 178 P C -1.125 176.219 177.300 0.074 0.000 1.223 178 P CA 0.006 63.131 63.100 0.041 0.000 0.785 178 P CB 0.505 32.212 31.700 0.013 0.000 0.923 179 Y N 1.566 121.858 120.300 -0.013 0.000 2.328 179 Y HA 0.549 5.069 4.550 -0.049 0.000 0.336 179 Y C -0.536 175.359 175.900 -0.008 0.000 0.960 179 Y CA -1.206 56.887 58.100 -0.011 0.000 1.134 179 Y CB 1.341 39.795 38.460 -0.011 0.000 1.166 179 Y HN 0.146 nan 8.280 nan 0.000 0.464 180 M N 6.599 125.761 119.600 -0.730 0.000 2.151 180 M HA 0.356 4.806 4.480 -0.050 0.000 0.349 180 M C 0.937 176.865 176.300 -0.619 0.000 1.284 180 M CA 0.037 55.044 55.300 -0.489 0.000 1.173 180 M CB 0.701 33.105 32.600 -0.326 0.000 1.469 180 M HN 0.879 nan 8.290 nan 0.000 0.439 181 A N 3.694 126.453 122.820 -0.103 0.000 1.948 181 A HA -0.060 4.230 4.320 -0.050 0.000 0.220 181 A C 2.027 179.620 177.584 0.015 0.000 1.177 181 A CA 2.040 54.173 52.037 0.159 0.000 0.636 181 A CB -0.878 18.222 19.000 0.168 0.000 0.815 181 A HN 0.861 nan 8.150 nan 0.000 0.449 182 A N 0.503 123.292 122.820 -0.052 0.000 2.546 182 A HA -0.136 4.154 4.320 -0.050 0.000 0.190 182 A C 2.397 179.938 177.584 -0.072 0.000 1.102 182 A CA 2.813 54.820 52.037 -0.050 0.000 0.909 182 A CB -1.520 17.444 19.000 -0.060 0.000 0.818 182 A HN 1.265 nan 8.150 nan 0.000 0.557 183 S N -0.878 114.757 115.700 -0.108 0.000 2.484 183 S HA 0.158 4.598 4.470 -0.050 0.000 0.250 183 S C 1.551 176.076 174.600 -0.125 0.000 0.995 183 S CA 1.520 59.657 58.200 -0.105 0.000 0.967 183 S CB -1.237 61.896 63.200 -0.112 0.000 0.752 183 S HN 2.392 nan 8.310 nan 0.000 0.517 184 G N 1.550 110.228 108.800 -0.204 0.000 2.225 184 G HA2 -0.300 3.630 3.960 -0.050 0.000 0.267 184 G HA3 -0.300 3.630 3.960 -0.050 0.000 0.267 184 G C -0.186 174.543 174.900 -0.286 0.000 1.024 184 G CA 0.587 45.597 45.100 -0.151 0.000 0.784 184 G HN 0.965 nan 8.290 nan 0.000 0.507 185 E N -1.780 118.130 120.200 -0.483 0.000 2.355 185 E HA 0.731 5.051 4.350 -0.050 0.000 0.261 185 E C -0.688 175.695 176.600 -0.362 0.000 0.943 185 E CA -1.041 55.184 56.400 -0.292 0.000 0.806 185 E CB 2.400 32.017 29.700 -0.138 0.000 1.286 185 E HN 0.664 nan 8.360 nan 0.000 0.424 186 V N 1.536 121.378 119.914 -0.120 0.000 2.370 186 V HA 0.300 4.390 4.120 -0.050 0.000 0.283 186 V C -1.099 174.967 176.094 -0.046 0.000 1.023 186 V CA -0.801 61.474 62.300 -0.043 0.000 0.857 186 V CB 1.048 32.904 31.823 0.055 0.000 0.985 186 V HN 0.524 nan 8.190 nan 0.000 0.443 187 K N 4.771 125.141 120.400 -0.050 0.000 2.284 187 K HA 0.273 4.563 4.320 -0.050 0.000 0.287 187 K C 0.950 177.529 176.600 -0.035 0.000 1.081 187 K CA 0.260 56.518 56.287 -0.048 0.000 0.910 187 K CB 0.976 33.442 32.500 -0.057 0.000 1.088 187 K HN 0.896 nan 8.250 nan 0.000 0.478 188 T N -1.428 113.106 114.554 -0.032 0.000 3.122 188 T HA 0.062 4.382 4.350 -0.050 0.000 0.250 188 T C 1.425 176.086 174.700 -0.065 0.000 1.067 188 T CA -0.039 62.044 62.100 -0.028 0.000 0.966 188 T CB 0.189 69.059 68.868 0.003 0.000 1.002 188 T HN 0.243 nan 8.240 nan 0.000 0.542 189 K N 2.437 122.770 120.400 -0.112 0.000 2.026 189 K HA 0.098 4.388 4.320 -0.050 0.000 0.208 189 K C -0.884 175.510 176.600 -0.343 0.000 1.048 189 K CA 0.894 57.031 56.287 -0.251 0.000 0.929 189 K CB -1.166 31.159 32.500 -0.290 0.000 0.713 189 K HN 0.281 nan 8.250 nan 0.000 0.439 190 P HA -0.124 nan 4.420 nan 0.000 0.217 190 P C 0.832 178.107 177.300 -0.042 0.000 1.148 190 P CA 1.451 64.483 63.100 -0.113 0.000 0.828 190 P CB -0.096 31.579 31.700 -0.043 0.000 0.783 191 T N -0.451 114.078 114.554 -0.042 0.000 2.708 191 T HA -0.181 4.139 4.350 -0.050 0.000 0.266 191 T C 1.872 176.578 174.700 0.010 0.000 1.037 191 T CA 1.354 63.457 62.100 0.005 0.000 1.146 191 T CB -0.668 68.198 68.868 -0.004 0.000 0.865 191 T HN 0.299 nan 8.240 nan 0.000 0.435 192 Q N 0.291 120.061 119.800 -0.049 0.000 2.002 192 Q HA -0.168 4.142 4.340 -0.050 0.000 0.204 192 Q C 2.188 178.219 176.000 0.051 0.000 0.988 192 Q CA 1.826 57.599 55.803 -0.049 0.000 0.843 192 Q CB -0.407 28.266 28.738 -0.108 0.000 0.908 192 Q HN 0.740 nan 8.270 nan 0.000 0.420 193 H N -0.447 118.611 119.070 -0.019 0.000 2.319 193 H HA -0.130 4.413 4.556 -0.023 0.000 0.297 193 H C 2.549 177.873 175.328 -0.005 0.000 1.097 193 H CA 0.967 57.006 56.048 -0.016 0.000 1.285 193 H CB -0.037 29.723 29.762 -0.005 0.000 1.368 193 H HN 0.160 nan 8.280 nan 0.000 0.495 194 S N 0.163 115.949 115.700 0.143 0.000 2.356 194 S HA -0.142 4.298 4.470 -0.050 0.000 0.223 194 S C 2.353 176.994 174.600 0.068 0.000 1.032 194 S CA 1.144 59.425 58.200 0.135 0.000 1.005 194 S CB -0.427 62.903 63.200 0.218 0.000 0.867 194 S HN 0.180 nan 8.310 nan 0.000 0.449 195 V N 3.222 123.164 119.914 0.046 0.000 2.490 195 V HA -0.178 3.912 4.120 -0.050 0.000 0.250 195 V C 2.494 178.543 176.094 -0.076 0.000 1.061 195 V CA 2.162 64.436 62.300 -0.044 0.000 1.064 195 V CB -0.744 31.062 31.823 -0.028 0.000 0.670 195 V HN 0.681 nan 8.190 nan 0.000 0.461 196 K N -0.011 120.369 120.400 -0.033 0.000 2.155 196 K HA -0.163 4.127 4.320 -0.050 0.000 0.203 196 K C 1.819 178.383 176.600 -0.061 0.000 1.052 196 K CA 1.519 57.776 56.287 -0.049 0.000 0.948 196 K CB -0.258 32.219 32.500 -0.038 0.000 0.728 196 K HN 0.404 nan 8.250 nan 0.000 0.448 197 E N 1.109 121.282 120.200 -0.044 0.000 2.204 197 E HA -0.136 4.184 4.350 -0.050 0.000 0.195 197 E C 2.054 178.600 176.600 -0.091 0.000 0.990 197 E CA 0.907 57.276 56.400 -0.051 0.000 0.821 197 E CB -0.047 29.642 29.700 -0.018 0.000 0.750 197 E HN 0.430 nan 8.360 nan 0.000 0.477 198 L N 0.336 121.473 121.223 -0.143 0.000 2.044 198 L HA -0.156 4.154 4.340 -0.050 0.000 0.205 198 L C 2.543 179.309 176.870 -0.174 0.000 1.075 198 L CA 0.682 55.403 54.840 -0.200 0.000 0.747 198 L CB -0.332 41.538 42.059 -0.313 0.000 0.903 198 L HN 0.143 nan 8.230 nan 0.000 0.435 199 L N -0.357 120.777 121.223 -0.149 0.000 2.012 199 L HA -0.244 4.066 4.340 -0.050 0.000 0.210 199 L C 2.888 179.698 176.870 -0.100 0.000 1.073 199 L CA 1.736 56.501 54.840 -0.124 0.000 0.748 199 L CB -0.753 41.244 42.059 -0.103 0.000 0.891 199 L HN 0.422 nan 8.230 nan 0.000 0.431 200 S N 0.970 116.618 115.700 -0.086 0.000 2.440 200 S HA -0.184 4.256 4.470 -0.050 0.000 0.240 200 S C 1.605 176.163 174.600 -0.071 0.000 1.014 200 S CA 1.497 59.656 58.200 -0.069 0.000 0.980 200 S CB -0.602 62.562 63.200 -0.061 0.000 0.775 200 S HN 0.523 nan 8.310 nan 0.000 0.499 201 I N -2.434 118.083 120.570 -0.088 0.000 3.956 201 I HA 0.641 4.781 4.170 -0.050 0.000 0.333 201 I C 1.416 177.472 176.117 -0.102 0.000 1.302 201 I CA 0.098 61.346 61.300 -0.086 0.000 1.122 201 I CB -0.139 37.817 38.000 -0.072 0.000 1.013 201 I HN 0.298 nan 8.210 nan 0.000 0.405 202 G N 1.305 110.036 108.800 -0.116 0.000 2.159 202 G HA2 -0.201 3.729 3.960 -0.050 0.000 0.227 202 G HA3 -0.201 3.729 3.960 -0.050 0.000 0.227 202 G C 0.002 174.791 174.900 -0.185 0.000 0.986 202 G CA 0.157 45.185 45.100 -0.120 0.000 0.651 202 G HN 0.423 nan 8.290 nan 0.000 0.523 203 I N 0.555 120.967 120.570 -0.264 0.000 2.404 203 I HA 0.552 4.692 4.170 -0.050 0.000 0.293 203 I C 0.058 175.948 176.117 -0.379 0.000 0.992 203 I CA -0.980 60.043 61.300 -0.463 0.000 1.149 203 I CB 1.977 39.565 38.000 -0.688 0.000 1.315 203 I HN 0.087 nan 8.210 nan 0.000 0.446 204 Q N 8.917 128.496 119.800 -0.369 0.000 2.363 204 Q HA 0.467 4.777 4.340 -0.050 0.000 0.265 204 Q C -2.586 173.309 176.000 -0.175 0.000 1.032 204 Q CA -1.911 53.764 55.803 -0.214 0.000 0.746 204 Q CB 1.463 30.135 28.738 -0.111 0.000 1.237 204 Q HN 0.213 nan 8.270 nan 0.000 0.475 205 P HA 0.039 nan 4.420 nan 0.000 0.267 205 P C -0.589 176.773 177.300 0.103 0.000 1.200 205 P CA 0.179 63.291 63.100 0.020 0.000 0.772 205 P CB 0.883 32.594 31.700 0.019 0.000 0.855 206 D N 0.849 121.369 120.400 0.200 0.000 2.380 206 D HA 0.190 4.800 4.640 -0.050 0.000 0.212 206 D C 0.672 177.063 176.300 0.151 0.000 1.021 206 D CA 0.856 54.972 54.000 0.194 0.000 0.884 206 D CB 0.675 41.623 40.800 0.247 0.000 1.001 206 D HN 0.333 nan 8.370 nan 0.000 0.506 207 I N 0.915 121.565 120.570 0.132 0.000 2.722 207 I HA 0.273 4.413 4.170 -0.050 0.000 0.295 207 I C -1.270 174.888 176.117 0.068 0.000 1.161 207 I CA -0.688 60.646 61.300 0.056 0.000 1.032 207 I CB 2.847 40.888 38.000 0.069 0.000 1.244 207 I HN -0.340 nan 8.210 nan 0.000 0.421 208 L N 5.817 127.049 121.223 0.016 0.000 2.362 208 L HA 0.544 4.854 4.340 -0.050 0.000 0.275 208 L C -0.910 175.950 176.870 -0.016 0.000 0.998 208 L CA -0.699 54.157 54.840 0.027 0.000 0.820 208 L CB 2.024 44.101 42.059 0.030 0.000 1.270 208 L HN 0.326 nan 8.230 nan 0.000 0.415 209 I N 2.282 122.836 120.570 -0.027 0.000 2.337 209 I HA 0.181 4.321 4.170 -0.050 0.000 0.285 209 I C -0.369 175.713 176.117 -0.058 0.000 1.041 209 I CA -0.544 60.726 61.300 -0.051 0.000 1.199 209 I CB 0.937 38.899 38.000 -0.062 0.000 1.370 209 I HN 0.590 nan 8.210 nan 0.000 0.470 210 C N 6.749 126.021 119.300 -0.047 0.000 2.256 210 C HA 0.374 4.804 4.460 -0.050 0.000 0.333 210 C C 0.953 175.919 174.990 -0.040 0.000 1.183 210 C CA -0.980 58.015 59.018 -0.040 0.000 1.692 210 C CB -0.711 27.014 27.740 -0.026 0.000 2.274 210 C HN 0.494 nan 8.230 nan 0.000 0.509 211 R N 2.896 123.370 120.500 -0.044 0.000 2.234 211 R HA 0.539 4.849 4.340 -0.050 0.000 0.324 211 R C 0.121 176.408 176.300 -0.022 0.000 1.054 211 R CA 0.295 56.371 56.100 -0.040 0.000 0.912 211 R CB 1.454 31.724 30.300 -0.049 0.000 1.030 211 R HN 0.912 nan 8.270 nan 0.000 0.455 212 S N -0.100 115.590 115.700 -0.016 0.000 2.720 212 S HA 0.226 4.666 4.470 -0.050 0.000 0.287 212 S C 0.095 174.689 174.600 -0.010 0.000 1.168 212 S CA -0.872 57.329 58.200 0.002 0.000 0.832 212 S CB 1.496 64.708 63.200 0.021 0.000 1.166 212 S HN 0.554 nan 8.310 nan 0.000 0.493 213 D N -0.274 120.121 120.400 -0.008 0.000 2.339 213 D HA 0.119 4.729 4.640 -0.050 0.000 0.217 213 D C 0.579 176.843 176.300 -0.060 0.000 1.050 213 D CA -0.049 53.929 54.000 -0.036 0.000 0.856 213 D CB -0.115 40.660 40.800 -0.042 0.000 0.922 213 D HN 0.689 nan 8.370 nan 0.000 0.518 214 R N -1.507 118.963 120.500 -0.050 0.000 2.733 214 R HA 0.691 5.001 4.340 -0.050 0.000 0.272 214 R C -1.162 175.121 176.300 -0.029 0.000 1.029 214 R CA -1.112 54.954 56.100 -0.058 0.000 0.888 214 R CB 0.652 30.892 30.300 -0.100 0.000 1.251 214 R HN -0.110 nan 8.270 nan 0.000 0.464 215 A N 1.241 124.045 122.820 -0.026 0.000 2.511 215 A HA 0.331 4.621 4.320 -0.050 0.000 0.242 215 A C 0.212 177.795 177.584 -0.002 0.000 1.069 215 A CA -0.383 51.645 52.037 -0.016 0.000 0.763 215 A CB 0.343 19.333 19.000 -0.016 0.000 1.001 215 A HN 0.391 nan 8.150 nan 0.000 0.498 216 V N 5.995 125.909 119.914 -0.001 0.000 2.470 216 V HA 0.205 4.295 4.120 -0.050 0.000 0.276 216 V C -1.867 174.229 176.094 0.004 0.000 1.040 216 V CA -0.976 61.328 62.300 0.008 0.000 1.008 216 V CB 0.754 32.578 31.823 0.001 0.000 0.990 216 V HN 0.798 nan 8.190 nan 0.000 0.477 217 P HA 0.169 nan 4.420 nan 0.000 0.276 217 P C 0.696 177.998 177.300 0.002 0.000 1.235 217 P CA -0.162 62.943 63.100 0.008 0.000 0.772 217 P CB 1.084 32.794 31.700 0.017 0.000 0.871 218 A N 3.883 126.702 122.820 -0.003 0.000 2.023 218 A HA -0.333 3.957 4.320 -0.050 0.000 0.223 218 A C 2.151 179.733 177.584 -0.004 0.000 1.180 218 A CA 2.278 54.311 52.037 -0.007 0.000 0.659 218 A CB -1.293 17.703 19.000 -0.008 0.000 0.817 218 A HN 0.665 nan 8.150 nan 0.000 0.466 219 N N -0.031 118.669 118.700 -0.000 0.000 2.006 219 N HA -0.196 4.514 4.740 -0.050 0.000 0.196 219 N C 1.503 177.015 175.510 0.003 0.000 1.070 219 N CA 2.105 55.154 53.050 -0.000 0.000 0.859 219 N CB -0.626 37.862 38.487 0.001 0.000 1.060 219 N HN 0.379 nan 8.380 nan 0.000 0.424 220 E N 0.297 120.501 120.200 0.006 0.000 2.273 220 E HA -0.103 4.217 4.350 -0.050 0.000 0.198 220 E C 2.199 178.805 176.600 0.011 0.000 1.002 220 E CA 0.855 57.260 56.400 0.009 0.000 0.828 220 E CB -0.021 29.686 29.700 0.012 0.000 0.747 220 E HN 0.375 nan 8.360 nan 0.000 0.491 221 R N -0.657 119.846 120.500 0.004 0.000 2.060 221 R HA 0.065 4.375 4.340 -0.050 0.000 0.225 221 R C 2.330 178.633 176.300 0.004 0.000 1.155 221 R CA 1.058 57.157 56.100 -0.001 0.000 0.930 221 R CB -0.574 29.719 30.300 -0.013 0.000 0.829 221 R HN 0.169 nan 8.270 nan 0.000 0.433 222 A N 1.977 124.798 122.820 0.002 0.000 2.042 222 A HA -0.272 4.018 4.320 -0.050 0.000 0.222 222 A C 2.087 179.688 177.584 0.029 0.000 1.167 222 A CA 1.860 53.902 52.037 0.008 0.000 0.649 222 A CB -0.506 18.495 19.000 0.003 0.000 0.809 222 A HN 0.328 nan 8.150 nan 0.000 0.457 223 K N -0.304 120.116 120.400 0.034 0.000 1.985 223 K HA -0.126 4.164 4.320 -0.050 0.000 0.210 223 K C 1.854 178.515 176.600 0.102 0.000 1.047 223 K CA 1.762 58.090 56.287 0.068 0.000 0.932 223 K CB -0.351 32.178 32.500 0.050 0.000 0.716 223 K HN 0.438 nan 8.250 nan 0.000 0.439 224 I N 1.385 121.991 120.570 0.060 0.000 2.163 224 I HA -0.309 3.831 4.170 -0.050 0.000 0.243 224 I C 2.480 178.616 176.117 0.031 0.000 1.085 224 I CA 1.400 62.725 61.300 0.042 0.000 1.347 224 I CB -0.376 37.634 38.000 0.016 0.000 1.044 224 I HN 0.350 nan 8.210 nan 0.000 0.408 225 A N 0.317 123.149 122.820 0.020 0.000 1.997 225 A HA -0.210 4.080 4.320 -0.050 0.000 0.221 225 A C 2.022 179.620 177.584 0.023 0.000 1.172 225 A CA 2.222 54.263 52.037 0.007 0.000 0.645 225 A CB -0.586 18.411 19.000 -0.004 0.000 0.813 225 A HN 0.508 nan 8.150 nan 0.000 0.454 226 L N -4.888 116.369 121.223 0.058 0.000 2.666 226 L HA 0.344 4.654 4.340 -0.050 0.000 0.184 226 L C 2.014 178.950 176.870 0.110 0.000 1.092 226 L CA 0.335 55.221 54.840 0.077 0.000 0.857 226 L CB -1.054 41.061 42.059 0.094 0.000 1.281 226 L HN 0.144 nan 8.230 nan 0.000 0.489 227 F N 1.376 121.321 119.950 -0.008 0.000 2.067 227 F HA -0.407 4.095 4.527 -0.041 0.000 0.295 227 F C 2.234 178.033 175.800 -0.001 0.000 1.142 227 F CA 2.081 60.077 58.000 -0.006 0.000 1.230 227 F CB -0.676 38.319 39.000 -0.008 0.000 0.941 227 F HN 0.273 nan 8.300 nan 0.000 0.518 228 C N 0.525 119.538 119.300 -0.477 0.000 3.183 228 C HA 0.260 4.690 4.460 -0.050 0.000 0.285 228 C C 2.046 176.905 174.990 -0.218 0.000 1.313 228 C CA 0.270 58.975 59.018 -0.521 0.000 1.711 228 C CB -1.872 25.544 27.740 -0.539 0.000 2.135 228 C HN 0.533 nan 8.230 nan 0.000 0.651 229 N N 0.607 119.236 118.700 -0.118 0.000 2.333 229 N HA 0.084 4.794 4.740 -0.050 0.000 0.183 229 N C 1.226 176.711 175.510 -0.042 0.000 1.030 229 N CA 1.590 54.604 53.050 -0.060 0.000 0.867 229 N CB -0.017 38.455 38.487 -0.025 0.000 1.027 229 N HN 0.239 nan 8.380 nan 0.000 0.435 230 V N -0.466 119.434 119.914 -0.022 0.000 3.664 230 V HA -0.147 3.943 4.120 -0.050 0.000 0.211 230 V C -2.633 173.464 176.094 0.006 0.000 0.457 230 V CA 0.362 62.658 62.300 -0.007 0.000 1.039 230 V CB -2.222 29.592 31.823 -0.016 0.000 1.142 230 V HN 0.230 nan 8.190 nan 0.000 1.237 231 P HA 0.446 nan 4.420 nan 0.000 0.283 231 P C 0.828 178.119 177.300 -0.014 0.000 1.271 231 P CA -0.223 62.880 63.100 0.004 0.000 0.841 231 P CB 1.493 33.187 31.700 -0.011 0.000 1.122 232 E N 1.414 121.600 120.200 -0.022 0.000 2.306 232 E HA -0.096 4.224 4.350 -0.050 0.000 0.277 232 E C 0.574 177.106 176.600 -0.113 0.000 0.826 232 E CA 0.636 57.011 56.400 -0.040 0.000 1.583 232 E CB 0.014 29.733 29.700 0.031 0.000 1.089 232 E HN 0.339 nan 8.360 nan 0.000 0.580 233 K N -0.334 119.932 120.400 -0.223 0.000 2.726 233 K HA 0.329 4.619 4.320 -0.050 0.000 0.209 233 K C -0.112 176.254 176.600 -0.390 0.000 1.082 233 K CA 0.214 56.366 56.287 -0.225 0.000 1.081 233 K CB 1.425 33.839 32.500 -0.145 0.000 0.830 233 K HN 0.207 nan 8.250 nan 0.000 0.470 234 A N 0.743 123.279 122.820 -0.473 0.000 2.337 234 A HA 0.239 4.529 4.320 -0.050 0.000 0.227 234 A C 0.175 177.629 177.584 -0.217 0.000 1.259 234 A CA -0.245 51.493 52.037 -0.498 0.000 0.870 234 A CB 0.083 18.769 19.000 -0.523 0.000 0.927 234 A HN 0.132 nan 8.150 nan 0.000 0.497 235 V N 2.837 122.653 119.914 -0.163 0.000 2.368 235 V HA 0.281 4.371 4.120 -0.050 0.000 0.266 235 V C -0.298 175.744 176.094 -0.086 0.000 1.045 235 V CA -0.201 62.044 62.300 -0.092 0.000 0.899 235 V CB 0.496 32.283 31.823 -0.059 0.000 1.006 235 V HN 0.308 nan 8.190 nan 0.000 0.470 236 I N 3.380 123.907 120.570 -0.072 0.000 2.562 236 I HA 0.454 4.594 4.170 -0.050 0.000 0.301 236 I C 0.278 176.365 176.117 -0.050 0.000 1.003 236 I CA -0.194 61.067 61.300 -0.065 0.000 1.127 236 I CB 2.033 39.992 38.000 -0.069 0.000 1.304 236 I HN 0.560 nan 8.210 nan 0.000 0.446 237 S N 4.956 120.629 115.700 -0.044 0.000 2.489 237 S HA 0.628 5.068 4.470 -0.050 0.000 0.291 237 S C -0.847 173.727 174.600 -0.043 0.000 1.151 237 S CA -0.428 57.750 58.200 -0.037 0.000 1.082 237 S CB 0.776 63.959 63.200 -0.028 0.000 1.019 237 S HN 0.432 nan 8.310 nan 0.000 0.492 238 L N 6.528 127.725 121.223 -0.044 0.000 2.481 238 L HA 0.449 4.759 4.340 -0.050 0.000 0.255 238 L C -0.155 176.687 176.870 -0.046 0.000 1.192 238 L CA -0.377 54.431 54.840 -0.052 0.000 0.924 238 L CB 0.780 42.799 42.059 -0.067 0.000 1.179 238 L HN 0.789 nan 8.230 nan 0.000 0.491 239 K N 0.884 121.260 120.400 -0.040 0.000 2.219 239 K HA 0.212 4.502 4.320 -0.050 0.000 0.258 239 K C -0.739 175.836 176.600 -0.041 0.000 1.008 239 K CA -0.451 55.814 56.287 -0.037 0.000 0.928 239 K CB 0.673 33.153 32.500 -0.033 0.000 0.983 239 K HN 0.298 nan 8.250 nan 0.000 0.484 240 D N 1.955 122.331 120.400 -0.040 0.000 2.401 240 D HA 0.070 4.680 4.640 -0.050 0.000 0.254 240 D C 0.019 176.296 176.300 -0.039 0.000 1.192 240 D CA -0.102 53.874 54.000 -0.041 0.000 0.885 240 D CB 0.917 41.695 40.800 -0.038 0.000 1.147 240 D HN 0.460 nan 8.370 nan 0.000 0.478 241 V N 0.177 120.066 119.914 -0.042 0.000 3.096 241 V HA 0.435 4.525 4.120 -0.050 0.000 0.319 241 V C 0.875 176.948 176.094 -0.034 0.000 1.082 241 V CA -0.706 61.574 62.300 -0.033 0.000 1.022 241 V CB 1.775 33.578 31.823 -0.033 0.000 1.103 241 V HN 0.365 nan 8.190 nan 0.000 0.455 242 D N 0.003 120.389 120.400 -0.023 0.000 2.350 242 D HA 0.149 4.759 4.640 -0.050 0.000 0.213 242 D C 0.689 176.968 176.300 -0.035 0.000 1.031 242 D CA 0.837 54.823 54.000 -0.023 0.000 0.861 242 D CB 0.335 41.130 40.800 -0.009 0.000 0.926 242 D HN 0.762 nan 8.370 nan 0.000 0.520 243 S N 0.044 115.718 115.700 -0.044 0.000 2.649 243 S HA 0.309 4.749 4.470 -0.050 0.000 0.274 243 S C 0.788 175.313 174.600 -0.124 0.000 1.176 243 S CA -0.918 57.223 58.200 -0.097 0.000 0.988 243 S CB 0.454 63.659 63.200 0.008 0.000 1.071 243 S HN 0.202 nan 8.310 nan 0.000 0.478 244 I N 2.177 122.595 120.570 -0.253 0.000 2.700 244 I HA -0.038 4.102 4.170 -0.050 0.000 0.261 244 I C 1.373 177.510 176.117 0.032 0.000 1.219 244 I CA 0.949 62.176 61.300 -0.122 0.000 1.463 244 I CB -0.619 37.325 38.000 -0.093 0.000 1.092 244 I HN 0.739 nan 8.210 nan 0.000 0.452 245 Y N 1.978 122.370 120.300 0.154 0.000 2.483 245 Y HA -0.056 4.464 4.550 -0.050 0.000 0.291 245 Y C 2.335 178.307 175.900 0.120 0.000 1.143 245 Y CA 0.498 58.701 58.100 0.172 0.000 1.289 245 Y CB -0.423 38.192 38.460 0.260 0.000 0.983 245 Y HN 0.180 nan 8.280 nan 0.000 0.556 246 K N 0.149 120.655 120.400 0.178 0.000 2.305 246 K HA -0.003 4.287 4.320 -0.050 0.000 0.199 246 K C 1.672 178.291 176.600 0.031 0.000 1.047 246 K CA 0.563 56.915 56.287 0.108 0.000 0.976 246 K CB -0.021 32.523 32.500 0.073 0.000 0.765 246 K HN 0.352 nan 8.250 nan 0.000 0.474 247 I N 1.909 122.475 120.570 -0.008 0.000 2.118 247 I HA -0.254 3.886 4.170 -0.050 0.000 0.241 247 I C -0.929 175.119 176.117 -0.115 0.000 1.070 247 I CA 1.473 62.725 61.300 -0.079 0.000 1.327 247 I CB -1.216 36.704 38.000 -0.133 0.000 1.034 247 I HN 0.062 nan 8.210 nan 0.000 0.405 248 P HA -0.134 nan 4.420 nan 0.000 0.215 248 P C 1.638 178.889 177.300 -0.083 0.000 1.153 248 P CA 1.886 64.875 63.100 -0.186 0.000 0.853 248 P CB -0.309 31.177 31.700 -0.356 0.000 0.788 249 G N 0.067 108.846 108.800 -0.034 0.000 2.421 249 G HA2 -0.211 3.719 3.960 -0.050 0.000 0.216 249 G HA3 -0.211 3.719 3.960 -0.050 0.000 0.216 249 G C 1.582 176.482 174.900 -0.001 0.000 1.171 249 G CA 0.494 45.602 45.100 0.015 0.000 0.775 249 G HN 0.214 nan 8.290 nan 0.000 0.543 250 L N -0.093 121.122 121.223 -0.013 0.000 2.042 250 L HA -0.056 4.254 4.340 -0.050 0.000 0.210 250 L C 2.931 179.782 176.870 -0.033 0.000 1.076 250 L CA 0.736 55.563 54.840 -0.021 0.000 0.749 250 L CB -0.391 41.650 42.059 -0.030 0.000 0.893 250 L HN 0.206 nan 8.230 nan 0.000 0.432 251 L N -0.500 120.693 121.223 -0.050 0.000 2.072 251 L HA -0.190 4.120 4.340 -0.050 0.000 0.205 251 L C 2.726 179.576 176.870 -0.035 0.000 1.079 251 L CA 1.079 55.887 54.840 -0.054 0.000 0.752 251 L CB -0.554 41.458 42.059 -0.078 0.000 0.906 251 L HN 0.258 nan 8.230 nan 0.000 0.436 252 K N 0.511 120.896 120.400 -0.026 0.000 2.097 252 K HA -0.199 4.091 4.320 -0.050 0.000 0.206 252 K C 2.341 178.941 176.600 -0.000 0.000 1.049 252 K CA 1.786 58.069 56.287 -0.007 0.000 0.933 252 K CB -0.032 32.472 32.500 0.007 0.000 0.717 252 K HN 0.356 nan 8.250 nan 0.000 0.442 253 S N 0.496 116.194 115.700 -0.002 0.000 2.400 253 S HA -0.175 4.265 4.470 -0.050 0.000 0.232 253 S C 1.570 176.167 174.600 -0.006 0.000 1.025 253 S CA 1.067 59.267 58.200 0.000 0.000 0.993 253 S CB -0.217 62.984 63.200 0.002 0.000 0.808 253 S HN 0.438 nan 8.310 nan 0.000 0.478 254 Q N 0.521 120.312 119.800 -0.016 0.000 2.403 254 Q HA 0.318 4.628 4.340 -0.050 0.000 0.203 254 Q C 1.246 177.232 176.000 -0.023 0.000 0.932 254 Q CA 0.216 56.004 55.803 -0.024 0.000 0.945 254 Q CB 0.018 28.734 28.738 -0.037 0.000 1.045 254 Q HN 0.796 nan 8.270 nan 0.000 0.511 255 G N 1.419 110.215 108.800 -0.007 0.000 2.143 255 G HA2 -0.304 3.626 3.960 -0.050 0.000 0.248 255 G HA3 -0.304 3.626 3.960 -0.050 0.000 0.248 255 G C 0.578 175.494 174.900 0.026 0.000 0.991 255 G CA 0.365 45.471 45.100 0.010 0.000 0.689 255 G HN 0.376 nan 8.290 nan 0.000 0.522 256 L N 1.581 122.807 121.223 0.006 0.000 2.043 256 L HA -0.048 4.262 4.340 -0.050 0.000 0.212 256 L C 2.548 179.446 176.870 0.046 0.000 1.075 256 L CA 3.197 58.048 54.840 0.019 0.000 0.752 256 L CB -0.414 41.635 42.059 -0.018 0.000 0.891 256 L HN 0.521 nan 8.230 nan 0.000 0.432 257 D N -1.838 118.575 120.400 0.021 0.000 2.149 257 D HA -0.197 4.413 4.640 -0.050 0.000 0.201 257 D C 1.572 177.879 176.300 0.013 0.000 0.972 257 D CA 1.279 55.286 54.000 0.013 0.000 0.835 257 D CB -0.647 40.160 40.800 0.011 0.000 0.966 257 D HN 0.448 nan 8.370 nan 0.000 0.476 258 D N -0.058 120.361 120.400 0.031 0.000 2.117 258 D HA -0.165 4.445 4.640 -0.050 0.000 0.198 258 D C 1.931 178.243 176.300 0.021 0.000 0.982 258 D CA 0.768 54.783 54.000 0.025 0.000 0.828 258 D CB -0.296 40.527 40.800 0.039 0.000 0.967 258 D HN 0.197 nan 8.370 nan 0.000 0.464 259 Y N 1.784 122.040 120.300 -0.074 0.000 2.165 259 Y HA -0.186 4.333 4.550 -0.051 0.000 0.286 259 Y C 2.264 178.062 175.900 -0.170 0.000 1.155 259 Y CA 1.084 59.124 58.100 -0.101 0.000 1.164 259 Y CB -0.382 38.024 38.460 -0.089 0.000 0.978 259 Y HN -0.115 nan 8.280 nan 0.000 0.513 260 I N -1.317 119.181 120.570 -0.120 0.000 2.113 260 I HA -0.399 3.741 4.170 -0.050 0.000 0.238 260 I C 2.573 178.473 176.117 -0.361 0.000 1.070 260 I CA 1.502 62.609 61.300 -0.321 0.000 1.332 260 I CB -0.692 37.216 38.000 -0.153 0.000 1.044 260 I HN 0.269 nan 8.210 nan 0.000 0.402 261 C N 0.599 119.817 119.300 -0.137 0.000 2.401 261 C HA -0.216 4.214 4.460 -0.050 0.000 0.276 261 C C 2.848 177.780 174.990 -0.095 0.000 1.233 261 C CA 1.028 60.016 59.018 -0.050 0.000 1.753 261 C CB -1.003 26.731 27.740 -0.009 0.000 2.029 261 C HN 0.439 nan 8.230 nan 0.000 0.478 262 K N 0.762 121.064 120.400 -0.164 0.000 2.032 262 K HA -0.230 4.060 4.320 -0.050 0.000 0.209 262 K C 2.282 178.741 176.600 -0.235 0.000 1.048 262 K CA 1.872 58.055 56.287 -0.173 0.000 0.927 262 K CB -0.282 32.105 32.500 -0.187 0.000 0.712 262 K HN 0.382 nan 8.250 nan 0.000 0.441 263 R N -0.308 119.929 120.500 -0.437 0.000 2.081 263 R HA -0.104 4.206 4.340 -0.050 0.000 0.235 263 R C 1.761 177.939 176.300 -0.203 0.000 1.131 263 R CA 1.551 57.381 56.100 -0.451 0.000 0.960 263 R CB -0.277 29.602 30.300 -0.702 0.000 0.856 263 R HN 0.133 nan 8.270 nan 0.000 0.436 264 F N 0.929 120.790 119.950 -0.148 0.000 2.811 264 F HA 0.269 4.765 4.527 -0.051 0.000 0.301 264 F C 0.638 176.402 175.800 -0.059 0.000 1.151 264 F CA -0.014 57.926 58.000 -0.099 0.000 1.412 264 F CB -0.266 38.704 39.000 -0.049 0.000 1.113 264 F HN -0.088 nan 8.300 nan 0.000 0.579 265 S N 0.879 116.631 115.700 0.087 0.000 3.706 265 S HA -0.201 4.239 4.470 -0.050 0.000 0.363 265 S C -0.067 174.576 174.600 0.072 0.000 0.999 265 S CA 0.057 58.289 58.200 0.052 0.000 1.143 265 S CB -2.034 61.192 63.200 0.044 0.000 0.902 265 S HN 0.246 nan 8.310 nan 0.000 0.476 266 L N 1.910 123.179 121.223 0.077 0.000 2.264 266 L HA 0.423 4.733 4.340 -0.050 0.000 0.289 266 L C 0.719 177.611 176.870 0.036 0.000 1.044 266 L CA -0.170 54.709 54.840 0.066 0.000 0.807 266 L CB 0.947 43.059 42.059 0.089 0.000 1.192 266 L HN 0.335 nan 8.230 nan 0.000 0.425 267 N N 4.614 123.331 118.700 0.028 0.000 2.527 267 N HA 0.426 5.136 4.740 -0.050 0.000 0.236 267 N C -1.125 174.397 175.510 0.019 0.000 0.999 267 N CA -0.486 52.576 53.050 0.020 0.000 0.935 267 N CB 0.812 39.308 38.487 0.016 0.000 1.132 267 N HN 0.735 nan 8.380 nan 0.000 0.511 268 C N 1.692 121.004 119.300 0.020 0.000 3.173 268 C HA 0.653 5.083 4.460 -0.050 0.000 0.310 268 C C -2.459 172.543 174.990 0.021 0.000 1.306 268 C CA -1.633 57.397 59.018 0.021 0.000 1.426 268 C CB 0.836 28.591 27.740 0.026 0.000 1.800 268 C HN 0.498 nan 8.230 nan 0.000 0.470 269 P HA 0.168 nan 4.420 nan 0.000 0.270 269 P C -0.336 176.980 177.300 0.026 0.000 1.227 269 P CA 0.218 63.331 63.100 0.022 0.000 0.788 269 P CB 0.381 32.095 31.700 0.022 0.000 0.926 270 E N 0.580 120.796 120.200 0.026 0.000 2.398 270 E HA 0.276 4.596 4.350 -0.050 0.000 0.263 270 E C -0.348 176.276 176.600 0.039 0.000 1.046 270 E CA -0.761 55.657 56.400 0.030 0.000 0.908 270 E CB 0.367 30.083 29.700 0.027 0.000 0.963 270 E HN 0.500 nan 8.360 nan 0.000 0.431 271 A N 4.450 127.298 122.820 0.045 0.000 2.545 271 A HA -0.049 4.241 4.320 -0.050 0.000 0.253 271 A C 0.180 177.807 177.584 0.073 0.000 1.074 271 A CA 0.300 52.375 52.037 0.063 0.000 0.760 271 A CB -0.415 18.624 19.000 0.065 0.000 1.005 271 A HN 0.787 nan 8.150 nan 0.000 0.506 272 N N 3.332 122.081 118.700 0.081 0.000 2.469 272 N HA 0.302 5.012 4.740 -0.050 0.000 0.239 272 N C 0.024 175.609 175.510 0.125 0.000 1.053 272 N CA -0.529 52.569 53.050 0.079 0.000 0.937 272 N CB 0.174 38.693 38.487 0.054 0.000 1.163 272 N HN 0.659 nan 8.380 nan 0.000 0.509 273 L N 3.004 124.314 121.223 0.145 0.000 2.728 273 L HA 0.076 4.386 4.340 -0.050 0.000 0.235 273 L C 1.950 178.929 176.870 0.182 0.000 1.197 273 L CA -0.218 54.769 54.840 0.245 0.000 0.992 273 L CB -0.231 41.981 42.059 0.254 0.000 1.263 273 L HN 0.585 nan 8.230 nan 0.000 0.484 274 S N -0.221 115.528 115.700 0.082 0.000 2.374 274 S HA -0.257 4.183 4.470 -0.050 0.000 0.227 274 S C 1.595 176.179 174.600 -0.027 0.000 1.037 274 S CA 1.449 59.664 58.200 0.025 0.000 1.024 274 S CB -0.243 62.953 63.200 -0.006 0.000 0.861 274 S HN 0.562 nan 8.310 nan 0.000 0.456 275 E N 0.631 120.755 120.200 -0.127 0.000 2.110 275 E HA -0.120 4.200 4.350 -0.050 0.000 0.193 275 E C 1.799 178.190 176.600 -0.348 0.000 0.988 275 E CA 1.356 57.568 56.400 -0.315 0.000 0.804 275 E CB -0.296 29.090 29.700 -0.523 0.000 0.745 275 E HN 0.730 nan 8.360 nan 0.000 0.458 276 W N 1.528 122.821 121.300 -0.011 0.000 2.355 276 W HA -0.127 4.504 4.660 -0.049 0.000 0.309 276 W C 2.244 178.782 176.519 0.031 0.000 1.206 276 W CA 0.709 58.058 57.345 0.007 0.000 1.284 276 W CB -0.163 29.335 29.460 0.063 0.000 1.145 276 W HN 0.059 nan 8.180 nan 0.000 0.502 277 E N -0.014 120.321 120.200 0.226 0.000 2.097 277 E HA -0.290 4.030 4.350 -0.050 0.000 0.196 277 E C 2.189 178.874 176.600 0.141 0.000 1.000 277 E CA 1.328 57.825 56.400 0.162 0.000 0.804 277 E CB -0.368 29.394 29.700 0.104 0.000 0.740 277 E HN 0.220 nan 8.360 nan 0.000 0.454 278 Q N 0.383 120.225 119.800 0.070 0.000 2.084 278 Q HA -0.138 4.172 4.340 -0.050 0.000 0.202 278 Q C 2.398 178.463 176.000 0.108 0.000 0.978 278 Q CA 1.044 56.898 55.803 0.085 0.000 0.844 278 Q CB -0.195 28.536 28.738 -0.012 0.000 0.898 278 Q HN 0.216 nan 8.270 nan 0.000 0.426 279 V N 1.103 121.015 119.914 -0.003 0.000 2.295 279 V HA -0.275 3.815 4.120 -0.050 0.000 0.246 279 V C 2.386 178.513 176.094 0.056 0.000 1.049 279 V CA 1.543 63.796 62.300 -0.077 0.000 1.024 279 V CB -0.519 31.148 31.823 -0.259 0.000 0.648 279 V HN 0.290 nan 8.190 nan 0.000 0.447 280 I N -0.788 119.882 120.570 0.167 0.000 2.163 280 I HA -0.281 3.859 4.170 -0.050 0.000 0.243 280 I C 2.326 178.551 176.117 0.180 0.000 1.085 280 I CA 2.047 63.477 61.300 0.217 0.000 1.347 280 I CB -0.469 37.672 38.000 0.235 0.000 1.044 280 I HN 0.363 nan 8.210 nan 0.000 0.408 281 F N 2.049 122.032 119.950 0.055 0.000 2.069 281 F HA -0.237 4.259 4.527 -0.050 0.000 0.298 281 F C 2.405 178.222 175.800 0.029 0.000 1.113 281 F CA 1.866 59.888 58.000 0.036 0.000 1.214 281 F CB -0.427 38.584 39.000 0.019 0.000 0.978 281 F HN 0.045 nan 8.300 nan 0.000 0.474 282 E N -0.027 120.091 120.200 -0.137 0.000 2.058 282 E HA -0.297 4.023 4.350 -0.050 0.000 0.194 282 E C 2.199 178.672 176.600 -0.212 0.000 0.997 282 E CA 1.543 57.788 56.400 -0.259 0.000 0.801 282 E CB -0.460 29.203 29.700 -0.062 0.000 0.746 282 E HN 0.630 nan 8.360 nan 0.000 0.450 283 E N 0.569 120.726 120.200 -0.072 0.000 2.118 283 E HA -0.206 4.114 4.350 -0.050 0.000 0.195 283 E C 1.933 178.504 176.600 -0.049 0.000 0.992 283 E CA 1.063 57.461 56.400 -0.003 0.000 0.804 283 E CB -0.057 29.724 29.700 0.136 0.000 0.741 283 E HN 0.240 nan 8.360 nan 0.000 0.458 284 A N 0.504 123.272 122.820 -0.087 0.000 2.119 284 A HA -0.028 4.262 4.320 -0.050 0.000 0.216 284 A C 0.955 178.446 177.584 -0.154 0.000 1.152 284 A CA 0.547 52.533 52.037 -0.085 0.000 0.708 284 A CB 0.120 19.093 19.000 -0.045 0.000 0.805 284 A HN 0.171 nan 8.150 nan 0.000 0.460 285 N N 0.757 119.280 118.700 -0.296 0.000 2.735 285 N HA 0.224 4.934 4.740 -0.050 0.000 0.312 285 N C -3.118 172.253 175.510 -0.232 0.000 1.843 285 N CA -0.986 51.879 53.050 -0.308 0.000 0.945 285 N CB 0.921 39.065 38.487 -0.572 0.000 1.299 285 N HN 0.281 nan 8.380 nan 0.000 0.489 286 P HA 0.041 nan 4.420 nan 0.000 0.272 286 P C 1.157 178.411 177.300 -0.077 0.000 1.223 286 P CA -0.182 62.860 63.100 -0.097 0.000 0.784 286 P CB 1.339 33.000 31.700 -0.064 0.000 0.923 287 V N -1.360 118.518 119.914 -0.060 0.000 3.661 287 V HA 0.267 4.357 4.120 -0.050 0.000 0.271 287 V C 0.584 176.657 176.094 -0.034 0.000 1.315 287 V CA 0.916 63.191 62.300 -0.042 0.000 1.072 287 V CB -0.314 31.489 31.823 -0.034 0.000 0.830 287 V HN 0.778 nan 8.190 nan 0.000 0.443 288 S N 0.024 115.702 115.700 -0.037 0.000 2.643 288 S HA 0.650 5.090 4.470 -0.050 0.000 0.270 288 S C -1.195 173.385 174.600 -0.033 0.000 1.166 288 S CA -0.016 58.165 58.200 -0.032 0.000 0.815 288 S CB 2.217 65.398 63.200 -0.031 0.000 1.139 288 S HN 0.862 nan 8.310 nan 0.000 0.472 289 E N -0.170 120.013 120.200 -0.028 0.000 2.429 289 E HA 0.758 5.078 4.350 -0.050 0.000 0.276 289 E C -1.090 175.496 176.600 -0.023 0.000 0.953 289 E CA -1.096 55.288 56.400 -0.027 0.000 0.787 289 E CB 2.128 31.815 29.700 -0.021 0.000 1.307 289 E HN 1.309 nan 8.360 nan 0.000 0.458 290 V N -2.003 117.896 119.914 -0.025 0.000 3.181 290 V HA 0.736 4.826 4.120 -0.050 0.000 0.308 290 V C -0.876 175.208 176.094 -0.015 0.000 1.214 290 V CA -0.701 61.587 62.300 -0.020 0.000 1.053 290 V CB 1.798 33.589 31.823 -0.052 0.000 1.069 290 V HN 0.751 nan 8.190 nan 0.000 0.441 291 T N 3.126 117.679 114.554 -0.002 0.000 2.906 291 T HA 0.624 4.944 4.350 -0.050 0.000 0.302 291 T C -0.541 174.154 174.700 -0.009 0.000 1.002 291 T CA -0.035 62.066 62.100 0.001 0.000 0.988 291 T CB 0.593 69.471 68.868 0.017 0.000 0.972 291 T HN 0.644 nan 8.240 nan 0.000 0.447 292 I N 2.761 123.318 120.570 -0.023 0.000 2.339 292 I HA 0.444 4.584 4.170 -0.050 0.000 0.290 292 I C 0.968 177.087 176.117 0.004 0.000 0.994 292 I CA -0.730 60.559 61.300 -0.019 0.000 1.191 292 I CB 1.544 39.536 38.000 -0.013 0.000 1.343 292 I HN 0.669 nan 8.210 nan 0.000 0.458 293 G N 6.775 115.579 108.800 0.007 0.000 2.339 293 G HA2 0.441 4.371 3.960 -0.050 0.000 0.287 293 G HA3 0.441 4.371 3.960 -0.050 0.000 0.287 293 G C -0.460 174.417 174.900 -0.037 0.000 1.163 293 G CA -0.519 44.570 45.100 -0.017 0.000 0.872 293 G HN 0.578 nan 8.290 nan 0.000 0.464 294 M N 4.061 123.617 119.600 -0.074 0.000 2.055 294 M HA 0.310 4.760 4.480 -0.050 0.000 0.346 294 M C -0.913 175.287 176.300 -0.166 0.000 1.074 294 M CA -0.507 54.707 55.300 -0.144 0.000 1.009 294 M CB 1.109 33.603 32.600 -0.176 0.000 1.423 294 M HN 0.144 nan 8.290 nan 0.000 0.410 295 V N 5.063 124.877 119.914 -0.167 0.000 2.334 295 V HA 0.798 4.888 4.120 -0.050 0.000 0.267 295 V C 0.474 176.464 176.094 -0.174 0.000 1.040 295 V CA -0.194 62.022 62.300 -0.141 0.000 0.866 295 V CB 0.651 32.418 31.823 -0.093 0.000 1.019 295 V HN 1.007 nan 8.190 nan 0.000 0.468 296 G N 4.262 112.965 108.800 -0.162 0.000 2.619 296 G HA2 0.429 4.359 3.960 -0.050 0.000 0.305 296 G HA3 0.429 4.359 3.960 -0.050 0.000 0.305 296 G C 0.050 174.900 174.900 -0.083 0.000 1.330 296 G CA -0.087 44.922 45.100 -0.152 0.000 0.789 296 G HN 0.529 nan 8.290 nan 0.000 0.487 297 K N -1.355 118.980 120.400 -0.109 0.000 2.214 297 K HA 0.141 4.431 4.320 -0.050 0.000 0.201 297 K C 1.256 177.893 176.600 0.061 0.000 1.049 297 K CA 0.563 56.794 56.287 -0.094 0.000 0.978 297 K CB 0.027 32.409 32.500 -0.196 0.000 0.842 297 K HN 0.499 nan 8.250 nan 0.000 0.474 298 Y N 1.917 122.357 120.300 0.233 0.000 2.477 298 Y HA 0.129 4.649 4.550 -0.049 0.000 0.303 298 Y C 1.636 177.670 175.900 0.225 0.000 1.202 298 Y CA -0.846 57.344 58.100 0.152 0.000 1.282 298 Y CB -0.246 38.209 38.460 -0.008 0.000 1.071 298 Y HN -0.093 nan 8.280 nan 0.000 0.510 299 I N 1.221 122.016 120.570 0.375 0.000 2.442 299 I HA -0.367 3.773 4.170 -0.050 0.000 0.261 299 I C 1.587 177.830 176.117 0.209 0.000 1.132 299 I CA 1.528 62.998 61.300 0.283 0.000 1.412 299 I CB -0.954 37.114 38.000 0.113 0.000 1.091 299 I HN 0.442 nan 8.210 nan 0.000 0.448 300 E N 0.914 121.222 120.200 0.179 0.000 1.987 300 E HA -0.145 4.175 4.350 -0.050 0.000 0.200 300 E C 0.914 177.582 176.600 0.115 0.000 0.990 300 E CA 0.337 56.811 56.400 0.123 0.000 0.859 300 E CB -0.643 29.117 29.700 0.100 0.000 0.805 300 E HN 0.285 nan 8.360 nan 0.000 0.499 301 L N 3.207 124.488 121.223 0.098 0.000 2.500 301 L HA 0.108 4.418 4.340 -0.050 0.000 0.272 301 L C -2.021 174.905 176.870 0.092 0.000 1.149 301 L CA -1.318 53.563 54.840 0.069 0.000 0.897 301 L CB 0.369 42.446 42.059 0.029 0.000 1.178 301 L HN -0.045 nan 8.230 nan 0.000 0.473 302 P HA -0.201 nan 4.420 nan 0.000 0.215 302 P C 0.718 178.085 177.300 0.113 0.000 1.163 302 P CA 1.495 64.674 63.100 0.131 0.000 0.894 302 P CB 0.126 31.880 31.700 0.090 0.000 0.791 303 D N -0.512 119.920 120.400 0.055 0.000 2.362 303 D HA -0.131 4.479 4.640 -0.050 0.000 0.215 303 D C 1.894 178.184 176.300 -0.016 0.000 0.978 303 D CA 1.283 55.296 54.000 0.022 0.000 0.921 303 D CB -0.781 40.015 40.800 -0.007 0.000 0.895 303 D HN 0.185 nan 8.370 nan 0.000 0.494 304 A N -0.448 122.335 122.820 -0.060 0.000 2.019 304 A HA -0.161 4.129 4.320 -0.050 0.000 0.219 304 A C 0.957 178.318 177.584 -0.373 0.000 1.164 304 A CA 0.963 52.847 52.037 -0.256 0.000 0.644 304 A CB -0.421 18.356 19.000 -0.372 0.000 0.805 304 A HN 0.384 nan 8.150 nan 0.000 0.449 305 Y N -1.704 118.667 120.300 0.119 0.000 2.713 305 Y HA 0.260 4.781 4.550 -0.050 0.000 0.269 305 Y C 1.446 177.395 175.900 0.082 0.000 1.106 305 Y CA -0.416 57.750 58.100 0.110 0.000 1.174 305 Y CB 0.380 38.890 38.460 0.083 0.000 1.186 305 Y HN 0.180 nan 8.280 nan 0.000 0.555 306 K N 0.780 121.281 120.400 0.168 0.000 2.015 306 K HA -0.233 4.057 4.320 -0.050 0.000 0.220 306 K C 2.030 178.703 176.600 0.123 0.000 1.055 306 K CA 2.466 58.823 56.287 0.117 0.000 0.951 306 K CB -0.400 32.124 32.500 0.041 0.000 0.725 306 K HN 0.196 nan 8.250 nan 0.000 0.449 307 S N -0.551 115.256 115.700 0.179 0.000 2.399 307 S HA -0.099 4.341 4.470 -0.050 0.000 0.231 307 S C 1.901 176.519 174.600 0.030 0.000 1.022 307 S CA 1.215 59.524 58.200 0.181 0.000 0.983 307 S CB -0.206 63.245 63.200 0.418 0.000 0.803 307 S HN 0.167 nan 8.310 nan 0.000 0.480 308 V N 1.909 121.862 119.914 0.064 0.000 2.307 308 V HA -0.141 3.949 4.120 -0.050 0.000 0.245 308 V C 2.043 178.082 176.094 -0.092 0.000 1.045 308 V CA 1.458 63.747 62.300 -0.018 0.000 1.024 308 V CB -0.622 31.254 31.823 0.089 0.000 0.651 308 V HN 0.443 nan 8.190 nan 0.000 0.449 309 I N -0.144 120.420 120.570 -0.010 0.000 2.163 309 I HA -0.223 3.917 4.170 -0.050 0.000 0.243 309 I C 2.681 178.715 176.117 -0.138 0.000 1.085 309 I CA 1.421 62.699 61.300 -0.036 0.000 1.347 309 I CB -0.439 37.577 38.000 0.026 0.000 1.044 309 I HN 0.304 nan 8.210 nan 0.000 0.408 310 E N 0.848 120.952 120.200 -0.159 0.000 2.110 310 E HA -0.198 4.122 4.350 -0.050 0.000 0.193 310 E C 2.287 178.400 176.600 -0.813 0.000 0.988 310 E CA 1.500 57.694 56.400 -0.343 0.000 0.804 310 E CB -0.347 29.288 29.700 -0.108 0.000 0.745 310 E HN 0.533 nan 8.360 nan 0.000 0.458 311 A N 0.675 123.123 122.820 -0.620 0.000 2.014 311 A HA -0.041 4.249 4.320 -0.050 0.000 0.218 311 A C 2.328 179.528 177.584 -0.640 0.000 1.163 311 A CA 0.600 52.154 52.037 -0.805 0.000 0.652 311 A CB -0.432 17.746 19.000 -1.370 0.000 0.808 311 A HN 0.158 nan 8.150 nan 0.000 0.449 312 L N -0.819 120.181 121.223 -0.372 0.000 2.072 312 L HA -0.158 4.152 4.340 -0.050 0.000 0.205 312 L C 2.541 179.377 176.870 -0.057 0.000 1.079 312 L CA 1.462 56.283 54.840 -0.032 0.000 0.752 312 L CB -0.387 41.706 42.059 0.056 0.000 0.906 312 L HN 0.340 nan 8.230 nan 0.000 0.436 313 K N -0.489 119.821 120.400 -0.150 0.000 2.032 313 K HA -0.213 4.077 4.320 -0.050 0.000 0.209 313 K C 1.925 178.524 176.600 -0.002 0.000 1.048 313 K CA 1.816 58.058 56.287 -0.076 0.000 0.927 313 K CB -0.349 32.107 32.500 -0.073 0.000 0.712 313 K HN 0.485 nan 8.250 nan 0.000 0.441 314 H N -1.065 118.012 119.070 0.012 0.000 2.456 314 H HA -0.063 4.463 4.556 -0.050 0.000 0.296 314 H C 2.215 177.548 175.328 0.009 0.000 1.079 314 H CA 0.492 56.534 56.048 -0.010 0.000 1.322 314 H CB -0.103 29.638 29.762 -0.036 0.000 1.388 314 H HN 0.354 nan 8.280 nan 0.000 0.538 315 G N 0.279 109.157 108.800 0.131 0.000 2.402 315 G HA2 -0.207 3.723 3.960 -0.050 0.000 0.216 315 G HA3 -0.207 3.723 3.960 -0.050 0.000 0.216 315 G C 1.946 176.879 174.900 0.054 0.000 1.162 315 G CA 0.601 45.780 45.100 0.130 0.000 0.777 315 G HN 0.481 nan 8.290 nan 0.000 0.539 316 G N 1.123 109.945 108.800 0.036 0.000 2.421 316 G HA2 -0.178 3.752 3.960 -0.050 0.000 0.216 316 G HA3 -0.178 3.752 3.960 -0.050 0.000 0.216 316 G C 1.806 176.708 174.900 0.004 0.000 1.171 316 G CA 0.785 45.888 45.100 0.005 0.000 0.775 316 G HN 0.402 nan 8.290 nan 0.000 0.543 317 L N 0.101 121.340 121.223 0.026 0.000 2.043 317 L HA -0.134 4.176 4.340 -0.050 0.000 0.212 317 L C 2.913 179.776 176.870 -0.012 0.000 1.075 317 L CA 1.388 56.230 54.840 0.003 0.000 0.752 317 L CB -0.346 41.715 42.059 0.002 0.000 0.891 317 L HN 0.144 nan 8.230 nan 0.000 0.432 318 K N -0.234 120.168 120.400 0.003 0.000 2.288 318 K HA -0.014 4.276 4.320 -0.050 0.000 0.201 318 K C 1.143 177.737 176.600 -0.011 0.000 1.048 318 K CA 0.742 57.026 56.287 -0.005 0.000 0.956 318 K CB -0.118 32.386 32.500 0.006 0.000 0.746 318 K HN 0.454 nan 8.250 nan 0.000 0.461 319 N N 0.555 119.245 118.700 -0.016 0.000 2.187 319 N HA 0.060 4.770 4.740 -0.050 0.000 0.212 319 N C -0.392 175.098 175.510 -0.033 0.000 1.152 319 N CA -0.098 52.936 53.050 -0.027 0.000 0.872 319 N CB 0.766 39.228 38.487 -0.042 0.000 1.025 319 N HN 0.022 nan 8.380 nan 0.000 0.514 320 R N 0.397 120.874 120.500 -0.038 0.000 3.627 320 R HA -0.123 4.187 4.340 -0.050 0.000 0.281 320 R C -0.756 175.512 176.300 -0.053 0.000 1.140 320 R CA 0.356 56.422 56.100 -0.056 0.000 0.761 320 R CB -2.239 28.024 30.300 -0.062 0.000 1.181 320 R HN -0.001 nan 8.270 nan 0.000 0.472 321 V N 0.165 120.052 119.914 -0.045 0.000 2.547 321 V HA 0.315 4.405 4.120 -0.050 0.000 0.299 321 V C 0.738 176.810 176.094 -0.037 0.000 1.040 321 V CA -0.589 61.684 62.300 -0.045 0.000 0.913 321 V CB 2.003 33.794 31.823 -0.054 0.000 0.992 321 V HN 0.210 nan 8.190 nan 0.000 0.449 322 S N 3.242 118.922 115.700 -0.035 0.000 2.430 322 S HA 0.466 4.906 4.470 -0.050 0.000 0.289 322 S C -0.511 174.074 174.600 -0.025 0.000 1.143 322 S CA -0.475 57.709 58.200 -0.025 0.000 1.067 322 S CB 0.626 63.812 63.200 -0.024 0.000 0.964 322 S HN 0.505 nan 8.310 nan 0.000 0.485 323 V N 7.207 127.110 119.914 -0.018 0.000 2.364 323 V HA 0.324 4.414 4.120 -0.050 0.000 0.272 323 V C 0.268 176.354 176.094 -0.013 0.000 1.036 323 V CA -0.816 61.472 62.300 -0.021 0.000 0.880 323 V CB 0.876 32.689 31.823 -0.016 0.000 0.991 323 V HN 0.799 nan 8.190 nan 0.000 0.460 324 N N 5.597 124.288 118.700 -0.014 0.000 2.462 324 N HA 0.403 5.113 4.740 -0.050 0.000 0.242 324 N C -0.476 175.030 175.510 -0.006 0.000 1.010 324 N CA -0.213 52.833 53.050 -0.008 0.000 0.939 324 N CB 1.601 40.084 38.487 -0.006 0.000 1.127 324 N HN 0.569 nan 8.380 nan 0.000 0.509 325 I N 2.076 122.644 120.570 -0.003 0.000 2.337 325 I HA 0.081 4.221 4.170 -0.050 0.000 0.291 325 I C 0.634 176.747 176.117 -0.007 0.000 1.046 325 I CA -0.306 60.992 61.300 -0.003 0.000 1.324 325 I CB 0.456 38.456 38.000 -0.001 0.000 1.409 325 I HN 0.103 nan 8.210 nan 0.000 0.494 326 K N 7.728 128.120 120.400 -0.013 0.000 2.292 326 K HA 0.392 4.682 4.320 -0.050 0.000 0.270 326 K C -0.772 175.810 176.600 -0.031 0.000 1.062 326 K CA -0.342 55.935 56.287 -0.017 0.000 0.916 326 K CB 0.565 33.055 32.500 -0.016 0.000 1.166 326 K HN 0.559 nan 8.250 nan 0.000 0.458 327 L N 6.703 127.911 121.223 -0.024 0.000 2.407 327 L HA 0.255 4.565 4.340 -0.050 0.000 0.282 327 L C -0.196 176.653 176.870 -0.034 0.000 1.110 327 L CA 0.006 54.827 54.840 -0.032 0.000 0.863 327 L CB 0.070 42.130 42.059 0.001 0.000 1.207 327 L HN 0.618 nan 8.230 nan 0.000 0.454 328 I N 3.353 123.888 120.570 -0.059 0.000 2.382 328 I HA 0.154 4.294 4.170 -0.050 0.000 0.286 328 I C 0.165 176.245 176.117 -0.061 0.000 1.002 328 I CA -0.555 60.710 61.300 -0.058 0.000 1.135 328 I CB 2.110 40.066 38.000 -0.074 0.000 1.288 328 I HN 0.497 nan 8.210 nan 0.000 0.448 329 D N 4.708 125.084 120.400 -0.040 0.000 2.371 329 D HA -0.017 4.593 4.640 -0.050 0.000 0.256 329 D C 1.283 177.549 176.300 -0.057 0.000 1.193 329 D CA 0.176 54.156 54.000 -0.034 0.000 0.881 329 D CB 1.371 42.164 40.800 -0.012 0.000 1.143 329 D HN 0.650 nan 8.370 nan 0.000 0.473 330 S N 3.318 118.975 115.700 -0.071 0.000 2.419 330 S HA -0.230 4.210 4.470 -0.050 0.000 0.233 330 S C 1.570 176.118 174.600 -0.086 0.000 1.016 330 S CA 0.933 59.080 58.200 -0.088 0.000 0.974 330 S CB -0.144 62.992 63.200 -0.107 0.000 0.786 330 S HN 0.640 nan 8.310 nan 0.000 0.492 331 Q N 0.617 120.373 119.800 -0.072 0.000 2.224 331 Q HA -0.101 4.209 4.340 -0.050 0.000 0.203 331 Q C 1.147 177.113 176.000 -0.056 0.000 0.970 331 Q CA 1.430 57.193 55.803 -0.067 0.000 0.865 331 Q CB -0.180 28.530 28.738 -0.047 0.000 0.922 331 Q HN 0.656 nan 8.270 nan 0.000 0.445 332 D N -0.473 119.896 120.400 -0.051 0.000 2.234 332 D HA -0.082 4.528 4.640 -0.050 0.000 0.205 332 D C 1.874 178.139 176.300 -0.059 0.000 0.962 332 D CA 0.556 54.528 54.000 -0.047 0.000 0.855 332 D CB 0.001 40.777 40.800 -0.040 0.000 0.951 332 D HN 0.060 nan 8.370 nan 0.000 0.500 333 V N 1.376 121.246 119.914 -0.073 0.000 2.307 333 V HA -0.224 3.866 4.120 -0.050 0.000 0.245 333 V C 2.300 178.354 176.094 -0.067 0.000 1.045 333 V CA 1.565 63.815 62.300 -0.083 0.000 1.024 333 V CB -0.558 31.210 31.823 -0.093 0.000 0.651 333 V HN 0.162 nan 8.190 nan 0.000 0.449 334 E N 0.160 120.319 120.200 -0.070 0.000 2.038 334 E HA -0.215 4.105 4.350 -0.050 0.000 0.195 334 E C 2.295 178.867 176.600 -0.047 0.000 1.000 334 E CA 2.029 58.391 56.400 -0.065 0.000 0.803 334 E CB -0.368 29.283 29.700 -0.083 0.000 0.750 334 E HN 0.584 nan 8.360 nan 0.000 0.448 335 T N 0.779 115.306 114.554 -0.044 0.000 2.564 335 T HA -0.125 4.195 4.350 -0.050 0.000 0.259 335 T C 1.817 176.500 174.700 -0.028 0.000 1.087 335 T CA 1.520 63.602 62.100 -0.031 0.000 1.184 335 T CB -0.138 68.714 68.868 -0.027 0.000 0.864 335 T HN 0.102 nan 8.240 nan 0.000 0.403 336 R N 0.552 121.032 120.500 -0.033 0.000 2.280 336 R HA 0.438 4.748 4.340 -0.050 0.000 0.195 336 R C 1.179 177.458 176.300 -0.035 0.000 0.935 336 R CA 0.305 56.387 56.100 -0.030 0.000 1.033 336 R CB 0.034 30.316 30.300 -0.029 0.000 0.964 336 R HN 0.503 nan 8.270 nan 0.000 0.489 337 G N 0.465 109.238 108.800 -0.045 0.000 2.781 337 G HA2 -0.265 3.665 3.960 -0.050 0.000 0.683 337 G HA3 -0.265 3.665 3.960 -0.050 0.000 0.683 337 G C 0.526 175.379 174.900 -0.078 0.000 1.390 337 G CA -0.461 44.611 45.100 -0.046 0.000 0.850 337 G HN 0.333 nan 8.290 nan 0.000 0.557 338 V N -1.581 118.285 119.914 -0.081 0.000 3.171 338 V HA -0.154 3.936 4.120 -0.050 0.000 0.273 338 V C 2.036 178.019 176.094 -0.185 0.000 1.187 338 V CA 2.993 65.182 62.300 -0.185 0.000 1.191 338 V CB -0.730 31.098 31.823 0.009 0.000 0.808 338 V HN 0.998 nan 8.190 nan 0.000 0.549 339 E N 1.455 121.603 120.200 -0.087 0.000 2.110 339 E HA -0.233 4.087 4.350 -0.050 0.000 0.193 339 E C 2.158 178.707 176.600 -0.084 0.000 0.988 339 E CA 2.119 58.489 56.400 -0.051 0.000 0.804 339 E CB -0.182 29.502 29.700 -0.026 0.000 0.745 339 E HN 0.872 nan 8.360 nan 0.000 0.458 340 I N -0.734 119.764 120.570 -0.120 0.000 2.315 340 I HA -0.210 3.930 4.170 -0.050 0.000 0.248 340 I C 2.094 178.110 176.117 -0.168 0.000 1.117 340 I CA 1.097 62.325 61.300 -0.119 0.000 1.404 340 I CB -0.816 37.119 38.000 -0.108 0.000 1.071 340 I HN 0.124 nan 8.210 nan 0.000 0.419 341 L N 1.226 122.253 121.223 -0.327 0.000 2.456 341 L HA 0.004 4.314 4.340 -0.050 0.000 0.224 341 L C 0.852 177.577 176.870 -0.242 0.000 1.148 341 L CA 0.660 55.214 54.840 -0.477 0.000 0.825 341 L CB -0.708 40.581 42.059 -1.284 0.000 0.937 341 L HN 0.208 nan 8.230 nan 0.000 0.450 342 K N 1.440 121.773 120.400 -0.112 0.000 2.416 342 K HA 0.236 4.526 4.320 -0.050 0.000 0.283 342 K C 0.915 177.552 176.600 0.062 0.000 1.037 342 K CA 0.771 57.096 56.287 0.064 0.000 0.995 342 K CB 0.601 33.141 32.500 0.067 0.000 0.938 342 K HN 0.255 nan 8.250 nan 0.000 0.475 343 G N 2.294 111.167 108.800 0.122 0.000 2.145 343 G HA2 -0.179 3.751 3.960 -0.050 0.000 0.176 343 G HA3 -0.179 3.751 3.960 -0.050 0.000 0.176 343 G C -0.324 174.643 174.900 0.113 0.000 1.013 343 G CA -0.545 44.617 45.100 0.103 0.000 0.689 343 G HN 0.423 nan 8.290 nan 0.000 0.506 344 L N -0.233 121.087 121.223 0.161 0.000 2.354 344 L HA 0.590 4.900 4.340 -0.050 0.000 0.269 344 L C 0.258 177.242 176.870 0.190 0.000 1.005 344 L CA -1.154 53.760 54.840 0.123 0.000 0.819 344 L CB 1.614 43.710 42.059 0.063 0.000 1.311 344 L HN -0.051 nan 8.230 nan 0.000 0.423 345 D N 1.267 121.738 120.400 0.119 0.000 2.360 345 D HA 0.317 4.927 4.640 -0.050 0.000 0.210 345 D C 0.240 176.343 176.300 -0.328 0.000 1.047 345 D CA 0.449 54.535 54.000 0.142 0.000 0.854 345 D CB 1.429 42.392 40.800 0.273 0.000 0.936 345 D HN 0.549 nan 8.370 nan 0.000 0.514 346 A N 0.390 123.084 122.820 -0.211 0.000 2.597 346 A HA 0.609 4.899 4.320 -0.050 0.000 0.292 346 A C -1.725 175.879 177.584 0.032 0.000 1.057 346 A CA -0.621 51.305 52.037 -0.184 0.000 0.674 346 A CB 1.038 19.736 19.000 -0.503 0.000 1.278 346 A HN 0.021 nan 8.150 nan 0.000 0.416 347 I N 1.172 121.853 120.570 0.186 0.000 2.466 347 I HA 0.496 4.636 4.170 -0.050 0.000 0.289 347 I C -0.958 175.143 176.117 -0.026 0.000 1.026 347 I CA -0.484 60.899 61.300 0.138 0.000 1.078 347 I CB 1.852 39.997 38.000 0.241 0.000 1.249 347 I HN 0.616 nan 8.210 nan 0.000 0.429 348 L N 7.466 128.611 121.223 -0.130 0.000 2.349 348 L HA 0.608 4.918 4.340 -0.050 0.000 0.278 348 L C -1.245 175.391 176.870 -0.390 0.000 0.996 348 L CA -0.598 54.004 54.840 -0.397 0.000 0.825 348 L CB 1.711 43.614 42.059 -0.261 0.000 1.243 348 L HN 0.294 nan 8.230 nan 0.000 0.412 349 V N 7.510 127.100 119.914 -0.541 0.000 2.313 349 V HA 0.412 4.502 4.120 -0.050 0.000 0.278 349 V C -1.923 173.982 176.094 -0.315 0.000 1.017 349 V CA -1.458 60.642 62.300 -0.333 0.000 0.823 349 V CB 1.279 33.006 31.823 -0.160 0.000 1.010 349 V HN 0.654 nan 8.190 nan 0.000 0.443 350 P HA 0.276 nan 4.420 nan 0.000 0.286 350 P C 0.347 177.591 177.300 -0.093 0.000 1.293 350 P CA 0.028 63.020 63.100 -0.180 0.000 0.770 350 P CB 0.804 32.370 31.700 -0.224 0.000 1.206 351 G N -2.334 106.477 108.800 0.018 0.000 2.543 351 G HA2 0.607 4.537 3.960 -0.050 0.000 0.290 351 G HA3 0.607 4.537 3.960 -0.050 0.000 0.290 351 G C -0.215 174.712 174.900 0.044 0.000 1.310 351 G CA -0.373 44.724 45.100 -0.005 0.000 1.025 351 G HN 0.805 nan 8.290 nan 0.000 0.502 352 G N -2.468 106.258 108.800 -0.123 0.000 2.361 352 G HA2 0.469 4.399 3.960 -0.050 0.000 0.305 352 G HA3 0.469 4.399 3.960 -0.050 0.000 0.305 352 G C -1.615 173.147 174.900 -0.229 0.000 1.367 352 G CA -0.950 44.136 45.100 -0.023 0.000 0.951 352 G HN 0.780 nan 8.290 nan 0.000 0.615 353 F N -0.213 119.949 119.950 0.354 0.000 2.569 353 F HA 0.804 5.301 4.527 -0.050 0.000 0.312 353 F C 0.592 176.596 175.800 0.340 0.000 1.109 353 F CA -0.189 57.997 58.000 0.310 0.000 0.919 353 F CB 2.624 41.772 39.000 0.246 0.000 1.211 353 F HN 1.683 nan 8.300 nan 0.000 0.446 354 G N 1.618 110.735 108.800 0.528 0.000 3.084 354 G HA2 -0.094 3.836 3.960 -0.050 0.000 0.543 354 G HA3 -0.094 3.836 3.960 -0.050 0.000 0.543 354 G C -0.388 174.805 174.900 0.490 0.000 1.239 354 G CA -1.015 44.357 45.100 0.452 0.000 1.190 354 G HN 0.715 nan 8.290 nan 0.000 0.549 355 Y N 2.511 123.105 120.300 0.491 0.000 2.170 355 Y HA -0.343 4.177 4.550 -0.050 0.000 0.274 355 Y C 2.635 178.521 175.900 -0.023 0.000 1.253 355 Y CA 3.057 61.295 58.100 0.229 0.000 1.133 355 Y CB -0.327 38.298 38.460 0.274 0.000 0.941 355 Y HN 0.913 nan 8.280 nan 0.000 0.518 356 R N -1.393 119.160 120.500 0.087 0.000 3.028 356 R HA -0.312 3.998 4.340 -0.050 0.000 0.677 356 R C 2.035 178.193 176.300 -0.236 0.000 0.418 356 R CA 1.989 58.059 56.100 -0.050 0.000 1.668 356 R CB -1.536 28.788 30.300 0.040 0.000 0.613 356 R HN 0.487 nan 8.270 nan 0.000 0.556 357 G N -0.483 108.210 108.800 -0.177 0.000 2.653 357 G HA2 -0.056 3.874 3.960 -0.050 0.000 0.212 357 G HA3 -0.056 3.874 3.960 -0.050 0.000 0.212 357 G C 1.222 175.941 174.900 -0.300 0.000 1.138 357 G CA 0.716 45.688 45.100 -0.212 0.000 0.782 357 G HN 0.262 nan 8.290 nan 0.000 0.535 358 V N 0.549 120.204 119.914 -0.433 0.000 2.357 358 V HA -0.263 3.827 4.120 -0.050 0.000 0.257 358 V C 2.731 178.585 176.094 -0.401 0.000 1.082 358 V CA 2.187 64.188 62.300 -0.498 0.000 1.078 358 V CB -0.254 31.088 31.823 -0.801 0.000 0.663 358 V HN 0.380 nan 8.190 nan 0.000 0.455 359 E N 0.364 120.291 120.200 -0.455 0.000 2.107 359 E HA -0.080 4.240 4.350 -0.050 0.000 0.191 359 E C 2.435 178.940 176.600 -0.158 0.000 0.982 359 E CA 1.239 57.483 56.400 -0.261 0.000 0.809 359 E CB -0.702 28.852 29.700 -0.243 0.000 0.756 359 E HN 0.626 nan 8.360 nan 0.000 0.459 360 G N 1.125 109.823 108.800 -0.170 0.000 2.475 360 G HA2 -0.278 3.652 3.960 -0.050 0.000 0.220 360 G HA3 -0.278 3.652 3.960 -0.050 0.000 0.220 360 G C 1.662 176.510 174.900 -0.087 0.000 1.125 360 G CA 1.166 46.196 45.100 -0.117 0.000 0.755 360 G HN 0.175 nan 8.290 nan 0.000 0.565 361 M N -0.220 119.322 119.600 -0.098 0.000 2.081 361 M HA 0.134 4.584 4.480 -0.050 0.000 0.261 361 M C 2.553 178.852 176.300 -0.003 0.000 1.075 361 M CA 1.021 56.292 55.300 -0.048 0.000 1.133 361 M CB -0.500 32.061 32.600 -0.065 0.000 1.330 361 M HN 0.111 nan 8.290 nan 0.000 0.414 362 I N 0.439 120.997 120.570 -0.019 0.000 2.182 362 I HA -0.374 3.766 4.170 -0.050 0.000 0.248 362 I C 2.443 178.581 176.117 0.035 0.000 1.073 362 I CA 1.611 62.926 61.300 0.024 0.000 1.335 362 I CB -0.962 37.059 38.000 0.035 0.000 1.031 362 I HN 0.386 nan 8.210 nan 0.000 0.420 363 T N 0.036 114.597 114.554 0.012 0.000 2.622 363 T HA -0.212 4.108 4.350 -0.050 0.000 0.266 363 T C 1.921 176.648 174.700 0.046 0.000 1.047 363 T CA 2.337 64.440 62.100 0.005 0.000 1.159 363 T CB -0.527 68.332 68.868 -0.015 0.000 0.863 363 T HN 0.440 nan 8.240 nan 0.000 0.422 364 T N 2.323 116.906 114.554 0.048 0.000 2.635 364 T HA -0.171 4.149 4.350 -0.050 0.000 0.267 364 T C 2.339 177.141 174.700 0.170 0.000 1.040 364 T CA 1.458 63.621 62.100 0.106 0.000 1.156 364 T CB -0.833 68.077 68.868 0.069 0.000 0.863 364 T HN 0.452 nan 8.240 nan 0.000 0.430 365 A N 1.833 124.703 122.820 0.083 0.000 1.903 365 A HA -0.235 4.055 4.320 -0.050 0.000 0.219 365 A C 2.330 179.872 177.584 -0.071 0.000 1.191 365 A CA 2.115 54.061 52.037 -0.151 0.000 0.638 365 A CB -0.733 18.172 19.000 -0.158 0.000 0.823 365 A HN 0.423 nan 8.150 nan 0.000 0.451 366 R N -1.584 118.899 120.500 -0.027 0.000 2.070 366 R HA -0.179 4.131 4.340 -0.050 0.000 0.232 366 R C 2.068 178.355 176.300 -0.022 0.000 1.138 366 R CA 1.997 58.043 56.100 -0.089 0.000 0.936 366 R CB -0.684 29.488 30.300 -0.212 0.000 0.839 366 R HN 0.516 nan 8.270 nan 0.000 0.429 367 F N 1.254 121.162 119.950 -0.071 0.000 2.045 367 F HA -0.353 4.145 4.527 -0.050 0.000 0.297 367 F C 2.253 178.077 175.800 0.041 0.000 1.114 367 F CA 2.372 60.360 58.000 -0.019 0.000 1.207 367 F CB -0.665 38.336 39.000 0.002 0.000 0.964 367 F HN 0.198 nan 8.300 nan 0.000 0.486 368 A N 0.274 123.293 122.820 0.332 0.000 1.917 368 A HA -0.265 4.025 4.320 -0.050 0.000 0.219 368 A C 2.400 180.134 177.584 0.249 0.000 1.182 368 A CA 1.977 54.205 52.037 0.319 0.000 0.633 368 A CB -0.951 18.314 19.000 0.441 0.000 0.819 368 A HN 0.552 nan 8.150 nan 0.000 0.448 369 R N -0.616 119.938 120.500 0.090 0.000 2.090 369 R HA -0.074 4.236 4.340 -0.050 0.000 0.228 369 R C 1.742 178.038 176.300 -0.006 0.000 1.110 369 R CA 1.565 57.615 56.100 -0.083 0.000 0.973 369 R CB -0.140 29.916 30.300 -0.407 0.000 0.869 369 R HN 0.654 nan 8.270 nan 0.000 0.440 370 E N -0.656 119.485 120.200 -0.098 0.000 2.442 370 E HA -0.025 4.295 4.350 -0.050 0.000 0.195 370 E C 0.177 176.672 176.600 -0.175 0.000 1.030 370 E CA 0.474 56.791 56.400 -0.138 0.000 0.869 370 E CB 0.365 29.962 29.700 -0.172 0.000 0.857 370 E HN 0.372 nan 8.360 nan 0.000 0.505 371 N N 0.206 118.765 118.700 -0.235 0.000 2.234 371 N HA 0.147 4.857 4.740 -0.050 0.000 0.227 371 N C -0.807 174.657 175.510 -0.077 0.000 1.151 371 N CA -0.083 52.818 53.050 -0.249 0.000 0.865 371 N CB 0.445 38.593 38.487 -0.566 0.000 1.066 371 N HN 0.032 nan 8.380 nan 0.000 0.515 372 N N 0.361 119.046 118.700 -0.025 0.000 2.710 372 N HA -0.193 4.517 4.740 -0.050 0.000 0.249 372 N C -1.180 174.254 175.510 -0.127 0.000 1.059 372 N CA 0.109 53.044 53.050 -0.191 0.000 0.720 372 N CB -0.714 37.655 38.487 -0.197 0.000 0.983 372 N HN 0.270 nan 8.380 nan 0.000 0.544 373 I N 1.123 121.779 120.570 0.143 0.000 2.342 373 I HA 0.251 4.390 4.170 -0.050 0.000 0.291 373 I C -1.891 174.444 176.117 0.363 0.000 1.010 373 I CA -2.010 59.266 61.300 -0.040 0.000 1.308 373 I CB 0.950 38.941 38.000 -0.014 0.000 1.400 373 I HN -0.094 nan 8.210 nan 0.000 0.488 374 P HA -0.036 nan 4.420 nan 0.000 0.265 374 P C -1.404 176.200 177.300 0.506 0.000 1.193 374 P CA 0.299 63.689 63.100 0.484 0.000 0.765 374 P CB 0.173 31.980 31.700 0.177 0.000 0.823 375 Y N 3.818 124.311 120.300 0.322 0.000 2.512 375 Y HA 0.654 5.174 4.550 -0.050 0.000 0.348 375 Y C -1.676 174.082 175.900 -0.236 0.000 0.990 375 Y CA -1.402 56.657 58.100 -0.067 0.000 1.033 375 Y CB 1.839 39.912 38.460 -0.645 0.000 1.259 375 Y HN 0.281 nan 8.280 nan 0.000 0.461 376 L N 4.641 125.257 121.223 -1.012 0.000 2.476 376 L HA 0.840 5.150 4.340 -0.050 0.000 0.269 376 L C -1.126 174.983 176.870 -1.267 0.000 0.965 376 L CA -0.139 54.057 54.840 -1.073 0.000 0.845 376 L CB 2.022 43.231 42.059 -1.417 0.000 1.259 376 L HN 0.774 nan 8.230 nan 0.000 0.403 377 G N 5.700 113.986 108.800 -0.856 0.000 2.544 377 G HA2 0.658 4.588 3.960 -0.050 0.000 0.313 377 G HA3 0.658 4.588 3.960 -0.050 0.000 0.313 377 G C -1.174 173.472 174.900 -0.423 0.000 1.316 377 G CA -0.436 44.327 45.100 -0.562 0.000 0.944 377 G HN 0.559 nan 8.290 nan 0.000 0.489 378 I N 2.074 122.407 120.570 -0.396 0.000 2.378 378 I HA 0.282 4.422 4.170 -0.050 0.000 0.291 378 I C 1.165 177.045 176.117 -0.395 0.000 0.992 378 I CA -0.501 60.545 61.300 -0.424 0.000 1.154 378 I CB 1.235 38.993 38.000 -0.403 0.000 1.315 378 I HN 0.762 nan 8.210 nan 0.000 0.448 379 C N 3.935 122.963 119.300 -0.455 0.000 2.297 379 C HA -0.356 4.074 4.460 -0.050 0.000 0.129 379 C C 2.299 177.162 174.990 -0.211 0.000 0.960 379 C CA 1.627 60.425 59.018 -0.366 0.000 0.971 379 C CB -1.556 25.964 27.740 -0.367 0.000 3.216 379 C HN 0.944 nan 8.230 nan 0.000 1.035 380 L N 1.976 123.098 121.223 -0.169 0.000 2.064 380 L HA -0.004 4.306 4.340 -0.050 0.000 0.216 380 L C 2.279 179.110 176.870 -0.064 0.000 1.077 380 L CA 3.528 58.319 54.840 -0.081 0.000 0.766 380 L CB -1.143 40.862 42.059 -0.091 0.000 0.890 380 L HN 0.843 nan 8.230 nan 0.000 0.435 381 G N -1.030 107.700 108.800 -0.117 0.000 2.462 381 G HA2 -0.321 3.609 3.960 -0.050 0.000 0.220 381 G HA3 -0.321 3.609 3.960 -0.050 0.000 0.220 381 G C 1.581 176.475 174.900 -0.009 0.000 1.121 381 G CA 0.993 46.042 45.100 -0.084 0.000 0.758 381 G HN 0.538 nan 8.290 nan 0.000 0.559 382 M N -0.408 119.142 119.600 -0.084 0.000 2.248 382 M HA 0.055 4.505 4.480 -0.050 0.000 0.265 382 M C 2.613 178.915 176.300 0.004 0.000 1.079 382 M CA 1.113 56.379 55.300 -0.056 0.000 1.150 382 M CB -0.071 32.435 32.600 -0.157 0.000 1.366 382 M HN 0.233 nan 8.290 nan 0.000 0.433 383 Q N -0.123 119.680 119.800 0.004 0.000 2.002 383 Q HA -0.200 4.110 4.340 -0.050 0.000 0.204 383 Q C 1.999 178.044 176.000 0.076 0.000 0.988 383 Q CA 2.058 57.899 55.803 0.063 0.000 0.843 383 Q CB -0.571 28.235 28.738 0.113 0.000 0.908 383 Q HN 0.399 nan 8.270 nan 0.000 0.420 384 V N 0.686 120.639 119.914 0.065 0.000 2.511 384 V HA -0.343 3.747 4.120 -0.050 0.000 0.257 384 V C 1.935 178.071 176.094 0.070 0.000 1.088 384 V CA 1.939 64.271 62.300 0.053 0.000 1.098 384 V CB -0.624 31.221 31.823 0.037 0.000 0.674 384 V HN 0.481 nan 8.190 nan 0.000 0.470 385 A N -1.475 121.397 122.820 0.087 0.000 1.997 385 A HA 0.041 4.331 4.320 -0.050 0.000 0.212 385 A C 1.951 179.592 177.584 0.095 0.000 1.178 385 A CA 0.919 53.011 52.037 0.092 0.000 0.698 385 A CB -0.354 18.735 19.000 0.148 0.000 0.842 385 A HN 0.416 nan 8.150 nan 0.000 0.458 386 L N 0.593 121.860 121.223 0.074 0.000 1.989 386 L HA -0.169 4.141 4.340 -0.050 0.000 0.211 386 L C 2.164 179.079 176.870 0.076 0.000 1.071 386 L CA 1.715 56.592 54.840 0.062 0.000 0.749 386 L CB -0.564 41.520 42.059 0.041 0.000 0.890 386 L HN 0.458 nan 8.230 nan 0.000 0.431 387 I N -0.334 120.273 120.570 0.062 0.000 2.043 387 I HA -0.423 3.717 4.170 -0.050 0.000 0.231 387 I C 2.339 178.464 176.117 0.012 0.000 1.024 387 I CA 1.959 63.280 61.300 0.034 0.000 1.309 387 I CB -0.667 37.364 38.000 0.052 0.000 1.030 387 I HN 0.440 nan 8.210 nan 0.000 0.389 388 D N 0.065 120.510 120.400 0.075 0.000 2.303 388 D HA -0.352 4.258 4.640 -0.050 0.000 0.190 388 D C 2.098 178.468 176.300 0.116 0.000 1.011 388 D CA 2.240 56.351 54.000 0.185 0.000 0.860 388 D CB -0.662 40.233 40.800 0.160 0.000 0.961 388 D HN 0.409 nan 8.370 nan 0.000 0.453 389 Y N 0.866 121.148 120.300 -0.031 0.000 1.979 389 Y HA -0.286 4.234 4.550 -0.050 0.000 0.262 389 Y C 2.601 178.435 175.900 -0.110 0.000 1.142 389 Y CA 2.879 60.926 58.100 -0.089 0.000 1.096 389 Y CB -1.179 37.204 38.460 -0.129 0.000 0.958 389 Y HN 0.137 nan 8.280 nan 0.000 0.484 390 A N 0.502 123.351 122.820 0.048 0.000 1.894 390 A HA -0.354 3.936 4.320 -0.050 0.000 0.220 390 A C 2.225 179.650 177.584 -0.264 0.000 1.237 390 A CA 2.524 54.505 52.037 -0.094 0.000 0.660 390 A CB -1.145 17.801 19.000 -0.090 0.000 0.835 390 A HN 0.603 nan 8.150 nan 0.000 0.461 391 R N -1.481 118.833 120.500 -0.310 0.000 2.343 391 R HA -0.158 4.152 4.340 -0.050 0.000 0.182 391 R C 1.842 177.867 176.300 -0.459 0.000 0.893 391 R CA 1.783 57.599 56.100 -0.472 0.000 1.022 391 R CB -0.936 28.891 30.300 -0.788 0.000 0.658 391 R HN 0.783 nan 8.270 nan 0.000 0.521 392 H N -0.711 118.245 119.070 -0.190 0.000 2.545 392 H HA -0.115 4.411 4.556 -0.050 0.000 0.294 392 H C 1.307 176.462 175.328 -0.288 0.000 1.077 392 H CA 0.966 56.891 56.048 -0.205 0.000 1.197 392 H CB -0.243 29.413 29.762 -0.177 0.000 1.347 392 H HN 0.080 nan 8.280 nan 0.000 0.594 393 V N -1.861 117.852 119.914 -0.336 0.000 3.141 393 V HA 0.230 4.320 4.120 -0.050 0.000 0.225 393 V C 2.050 177.958 176.094 -0.310 0.000 1.352 393 V CA 0.515 62.562 62.300 -0.421 0.000 1.316 393 V CB -0.245 31.046 31.823 -0.888 0.000 1.126 393 V HN 0.382 nan 8.190 nan 0.000 0.493 394 A N 0.322 122.958 122.820 -0.307 0.000 2.238 394 A HA 0.068 4.358 4.320 -0.050 0.000 0.208 394 A C 0.933 178.382 177.584 -0.224 0.000 1.177 394 A CA 0.904 52.815 52.037 -0.210 0.000 0.804 394 A CB -0.954 17.942 19.000 -0.173 0.000 0.823 394 A HN 0.797 nan 8.150 nan 0.000 0.482 395 N N -1.150 117.409 118.700 -0.235 0.000 2.741 395 N HA -0.158 4.551 4.740 -0.050 0.000 0.250 395 N C -0.229 175.131 175.510 -0.251 0.000 1.115 395 N CA 0.844 53.776 53.050 -0.197 0.000 0.724 395 N CB -1.534 36.880 38.487 -0.121 0.000 1.090 395 N HN 0.638 nan 8.380 nan 0.000 0.558 396 M N 0.682 120.035 119.600 -0.413 0.000 2.618 396 M HA 0.162 4.612 4.480 -0.050 0.000 0.322 396 M C -0.136 176.001 176.300 -0.271 0.000 1.471 396 M CA 0.282 55.159 55.300 -0.705 0.000 1.450 396 M CB -0.331 31.543 32.600 -1.210 0.000 1.444 396 M HN -0.006 nan 8.290 nan 0.000 0.471 397 E N 3.243 123.442 120.200 -0.001 0.000 3.197 397 E HA -0.140 4.180 4.350 -0.050 0.000 0.251 397 E C 0.009 176.672 176.600 0.106 0.000 0.912 397 E CA 0.637 57.084 56.400 0.078 0.000 0.960 397 E CB -0.460 29.327 29.700 0.144 0.000 0.897 397 E HN 0.551 nan 8.360 nan 0.000 0.550 398 N N 0.424 119.132 118.700 0.014 0.000 2.686 398 N HA -0.253 4.457 4.740 -0.050 0.000 0.261 398 N C -0.613 174.936 175.510 0.065 0.000 1.001 398 N CA 0.989 54.058 53.050 0.031 0.000 0.764 398 N CB -1.630 36.893 38.487 0.060 0.000 0.898 398 N HN 0.629 nan 8.380 nan 0.000 0.544 399 A N -0.073 122.749 122.820 0.003 0.000 2.483 399 A HA 0.522 4.812 4.320 -0.050 0.000 0.238 399 A C 0.930 178.554 177.584 0.067 0.000 1.070 399 A CA 0.243 52.300 52.037 0.034 0.000 0.770 399 A CB 0.568 19.524 19.000 -0.073 0.000 1.008 399 A HN 0.577 nan 8.150 nan 0.000 0.497 400 N N -1.061 117.704 118.700 0.109 0.000 3.449 400 N HA 0.361 5.071 4.740 -0.050 0.000 0.312 400 N C -1.586 174.029 175.510 0.174 0.000 1.557 400 N CA 0.092 53.227 53.050 0.143 0.000 0.864 400 N CB 1.683 40.255 38.487 0.142 0.000 1.799 400 N HN 0.699 nan 8.380 nan 0.000 0.554 401 S N -0.327 115.517 115.700 0.241 0.000 2.552 401 S HA 0.279 4.719 4.470 -0.050 0.000 0.314 401 S C 1.279 175.935 174.600 0.094 0.000 1.099 401 S CA 0.224 58.549 58.200 0.209 0.000 1.070 401 S CB 0.433 63.775 63.200 0.237 0.000 0.998 401 S HN 0.607 nan 8.310 nan 0.000 0.474 402 T N 1.296 115.925 114.554 0.126 0.000 2.802 402 T HA -0.220 4.100 4.350 -0.050 0.000 0.269 402 T C 1.351 176.009 174.700 -0.070 0.000 1.062 402 T CA 1.847 64.006 62.100 0.099 0.000 1.133 402 T CB -0.720 68.281 68.868 0.220 0.000 0.852 402 T HN 0.800 nan 8.240 nan 0.000 0.485 403 E N 0.159 120.097 120.200 -0.438 0.000 2.187 403 E HA -0.158 4.162 4.350 -0.050 0.000 0.199 403 E C 1.214 177.271 176.600 -0.904 0.000 1.004 403 E CA 1.558 57.295 56.400 -1.104 0.000 0.813 403 E CB -0.154 28.127 29.700 -2.365 0.000 0.736 403 E HN 0.843 nan 8.360 nan 0.000 0.468 404 F N -1.568 118.218 119.950 -0.274 0.000 2.680 404 F HA 0.192 4.689 4.527 -0.050 0.000 0.290 404 F C 0.537 176.066 175.800 -0.452 0.000 1.114 404 F CA -0.285 57.429 58.000 -0.476 0.000 1.333 404 F CB 1.023 39.470 39.000 -0.923 0.000 1.091 404 F HN -0.254 nan 8.300 nan 0.000 0.606 405 V N 2.342 122.204 119.914 -0.088 0.000 2.564 405 V HA 0.198 4.288 4.120 -0.050 0.000 0.259 405 V C -1.817 174.279 176.094 0.004 0.000 0.936 405 V CA -1.152 61.115 62.300 -0.055 0.000 0.867 405 V CB 1.200 32.997 31.823 -0.042 0.000 1.076 405 V HN -0.140 nan 8.190 nan 0.000 0.476 406 P HA -0.141 nan 4.420 nan 0.000 0.218 406 P C 0.370 177.693 177.300 0.037 0.000 1.146 406 P CA 1.333 64.454 63.100 0.035 0.000 0.820 406 P CB 0.032 31.749 31.700 0.029 0.000 0.778 407 D N -0.213 120.202 120.400 0.023 0.000 2.499 407 D HA 0.103 4.713 4.640 -0.050 0.000 0.225 407 D C 0.666 176.980 176.300 0.023 0.000 1.124 407 D CA -0.692 53.319 54.000 0.019 0.000 0.938 407 D CB -0.483 40.324 40.800 0.012 0.000 1.014 407 D HN 0.245 nan 8.370 nan 0.000 0.517 408 C N 1.283 120.602 119.300 0.031 0.000 3.785 408 C HA 0.366 4.795 4.460 -0.050 0.000 0.312 408 C C 1.465 176.470 174.990 0.024 0.000 1.566 408 C CA 0.009 59.052 59.018 0.043 0.000 1.837 408 C CB -0.424 27.359 27.740 0.071 0.000 2.826 408 C HN 0.828 nan 8.230 nan 0.000 0.667 409 K N 0.430 120.814 120.400 -0.026 0.000 8.623 409 K HA -0.348 3.942 4.320 -0.050 0.000 0.494 409 K C -0.600 175.907 176.600 -0.155 0.000 0.366 409 K CA 2.311 58.512 56.287 -0.144 0.000 1.954 409 K CB -1.875 30.481 32.500 -0.241 0.000 0.699 409 K HN 0.695 nan 8.250 nan 0.000 0.968 410 Y N 2.441 122.745 120.300 0.006 0.000 2.841 410 Y HA 0.395 4.915 4.550 -0.050 0.000 0.329 410 Y C -2.238 173.672 175.900 0.016 0.000 1.062 410 Y CA -2.194 55.906 58.100 0.000 0.000 1.281 410 Y CB 1.640 40.092 38.460 -0.013 0.000 1.147 410 Y HN 0.093 nan 8.280 nan 0.000 0.521 411 P HA 0.141 nan 4.420 nan 0.000 0.228 411 P C 0.290 177.656 177.300 0.109 0.000 1.714 411 P CA -0.385 62.799 63.100 0.141 0.000 1.253 411 P CB 1.191 32.972 31.700 0.134 0.000 1.486 412 V N 1.130 121.097 119.914 0.089 0.000 3.217 412 V HA 0.023 4.113 4.120 -0.050 0.000 0.264 412 V C 0.890 177.026 176.094 0.071 0.000 1.135 412 V CA 0.616 62.937 62.300 0.035 0.000 1.142 412 V CB -0.369 31.459 31.823 0.007 0.000 0.754 412 V HN 0.138 nan 8.190 nan 0.000 0.484 413 V N 0.571 120.580 119.914 0.159 0.000 2.448 413 V HA 0.939 5.029 4.120 -0.050 0.000 0.295 413 V C -0.076 176.236 176.094 0.363 0.000 1.025 413 V CA 0.274 62.727 62.300 0.255 0.000 0.859 413 V CB 0.889 32.862 31.823 0.250 0.000 0.988 413 V HN 0.571 nan 8.190 nan 0.000 0.431 414 A N 4.095 127.209 122.820 0.489 0.000 2.517 414 A HA 0.589 4.879 4.320 -0.050 0.000 0.296 414 A C -1.196 176.581 177.584 0.322 0.000 0.983 414 A CA -0.895 51.443 52.037 0.501 0.000 0.634 414 A CB 0.490 19.749 19.000 0.432 0.000 1.341 414 A HN 0.765 nan 8.150 nan 0.000 0.438 415 L N 1.941 123.123 121.223 -0.068 0.000 2.506 415 L HA 0.139 4.449 4.340 -0.050 0.000 0.281 415 L C 1.704 178.249 176.870 -0.543 0.000 1.228 415 L CA -0.325 54.331 54.840 -0.306 0.000 0.850 415 L CB -0.121 41.711 42.059 -0.378 0.000 1.110 415 L HN 0.712 nan 8.230 nan 0.000 0.496 416 I N 0.189 120.206 120.570 -0.922 0.000 2.399 416 I HA -0.272 3.868 4.170 -0.050 0.000 0.254 416 I C 2.432 177.929 176.117 -1.033 0.000 1.146 416 I CA 1.765 61.973 61.300 -1.820 0.000 1.412 416 I CB -1.057 36.200 38.000 -1.238 0.000 1.076 416 I HN 0.987 nan 8.210 nan 0.000 0.432 417 T N -0.399 113.841 114.554 -0.523 0.000 2.770 417 T HA -0.125 4.195 4.350 -0.050 0.000 0.258 417 T C 1.567 176.209 174.700 -0.098 0.000 1.039 417 T CA 0.986 62.938 62.100 -0.246 0.000 1.143 417 T CB -0.658 68.096 68.868 -0.191 0.000 0.866 417 T HN 0.466 nan 8.240 nan 0.000 0.428 418 E N 0.269 120.433 120.200 -0.060 0.000 2.463 418 E HA -0.058 4.262 4.350 -0.050 0.000 0.201 418 E C -0.329 176.397 176.600 0.209 0.000 1.045 418 E CA -0.082 56.359 56.400 0.068 0.000 0.872 418 E CB -0.343 29.411 29.700 0.090 0.000 0.797 418 E HN 0.545 nan 8.360 nan 0.000 0.538 419 W N 3.758 125.063 121.300 0.008 0.000 2.715 419 W HA -0.030 4.600 4.660 -0.050 0.000 0.351 419 W C 1.284 177.813 176.519 0.017 0.000 1.406 419 W CA -0.092 57.265 57.345 0.020 0.000 1.354 419 W CB -0.385 29.085 29.460 0.016 0.000 1.453 419 W HN 0.166 nan 8.180 nan 0.000 0.572 420 R N 1.699 122.325 120.500 0.211 0.000 2.769 420 R HA 0.675 4.985 4.340 -0.050 0.000 0.117 420 R C -0.336 175.999 176.300 0.058 0.000 1.152 420 R CA -0.349 55.817 56.100 0.111 0.000 0.887 420 R CB 0.363 30.709 30.300 0.077 0.000 1.099 420 R HN 0.230 nan 8.270 nan 0.000 0.398 421 D N -1.566 118.851 120.400 0.028 0.000 2.792 421 D HA -0.069 4.541 4.640 -0.050 0.000 0.335 421 D C 0.220 176.490 176.300 -0.049 0.000 1.353 421 D CA -0.454 53.548 54.000 0.003 0.000 0.839 421 D CB 0.235 41.037 40.800 0.004 0.000 1.396 421 D HN 0.518 nan 8.370 nan 0.000 0.479 422 E N 0.147 120.281 120.200 -0.110 0.000 2.274 422 E HA -0.088 4.232 4.350 -0.050 0.000 0.194 422 E C 0.099 176.575 176.600 -0.206 0.000 0.996 422 E CA 0.828 57.038 56.400 -0.316 0.000 0.840 422 E CB -0.454 28.833 29.700 -0.689 0.000 0.772 422 E HN 0.439 nan 8.360 nan 0.000 0.491 423 N N 0.798 119.433 118.700 -0.108 0.000 2.270 423 N HA 0.094 4.804 4.740 -0.050 0.000 0.198 423 N C 1.053 176.537 175.510 -0.044 0.000 1.117 423 N CA 0.793 53.802 53.050 -0.069 0.000 0.845 423 N CB 0.841 39.303 38.487 -0.040 0.000 0.980 423 N HN 0.429 nan 8.380 nan 0.000 0.486 424 G N 0.876 109.651 108.800 -0.042 0.000 2.189 424 G HA2 -0.304 3.626 3.960 -0.050 0.000 0.267 424 G HA3 -0.304 3.626 3.960 -0.050 0.000 0.267 424 G C 0.208 175.110 174.900 0.003 0.000 0.975 424 G CA -0.115 44.975 45.100 -0.016 0.000 0.644 424 G HN 0.363 nan 8.290 nan 0.000 0.537 425 N N -0.001 118.700 118.700 0.001 0.000 2.416 425 N HA 0.401 5.111 4.740 -0.050 0.000 0.246 425 N C 0.459 175.990 175.510 0.034 0.000 1.260 425 N CA 1.222 54.280 53.050 0.014 0.000 0.897 425 N CB 1.693 40.185 38.487 0.009 0.000 1.110 425 N HN 0.983 nan 8.380 nan 0.000 0.439 426 V N -1.289 118.649 119.914 0.041 0.000 3.182 426 V HA 0.820 4.910 4.120 -0.050 0.000 0.308 426 V C -0.575 175.558 176.094 0.065 0.000 1.240 426 V CA -0.536 61.804 62.300 0.066 0.000 1.063 426 V CB 2.081 33.946 31.823 0.070 0.000 1.076 426 V HN 0.804 nan 8.190 nan 0.000 0.446 439 M N 1.667 121.201 119.600 -0.109 0.000 2.530 439 M HA 0.722 5.172 4.480 -0.050 0.000 0.307 439 M C -1.369 174.872 176.300 -0.099 0.000 1.161 439 M CA -0.636 54.600 55.300 -0.105 0.000 0.903 439 M CB 2.208 34.780 32.600 -0.047 0.000 1.711 439 M HN 0.385 nan 8.290 nan 0.000 0.451 440 R N 4.333 124.742 120.500 -0.153 0.000 2.229 440 R HA 0.676 4.986 4.340 -0.050 0.000 0.328 440 R C -1.512 174.853 176.300 0.108 0.000 1.009 440 R CA -0.385 55.655 56.100 -0.099 0.000 0.864 440 R CB 0.773 30.900 30.300 -0.287 0.000 1.085 440 R HN 0.707 nan 8.270 nan 0.000 0.453 441 L N 2.133 123.433 121.223 0.127 0.000 2.436 441 L HA 0.568 4.878 4.340 -0.050 0.000 0.268 441 L C 0.303 177.274 176.870 0.169 0.000 0.974 441 L CA -0.445 54.496 54.840 0.169 0.000 0.826 441 L CB 2.279 44.395 42.059 0.095 0.000 1.291 441 L HN 0.931 nan 8.230 nan 0.000 0.406 442 G N 2.070 110.986 108.800 0.193 0.000 2.610 442 G HA2 0.084 4.014 3.960 -0.050 0.000 0.304 442 G HA3 0.084 4.014 3.960 -0.050 0.000 0.304 442 G C -0.486 174.540 174.900 0.210 0.000 1.309 442 G CA -0.379 44.809 45.100 0.146 0.000 0.906 442 G HN 0.971 nan 8.290 nan 0.000 0.521 443 A N -0.180 122.729 122.820 0.149 0.000 2.488 443 A HA 0.630 4.920 4.320 -0.050 0.000 0.249 443 A C 0.473 178.171 177.584 0.191 0.000 1.083 443 A CA 1.099 53.224 52.037 0.147 0.000 0.768 443 A CB 0.454 19.511 19.000 0.094 0.000 1.017 443 A HN 0.857 nan 8.150 nan 0.000 0.496 444 Q N 1.075 121.017 119.800 0.237 0.000 2.315 444 Q HA 0.248 4.558 4.340 -0.050 0.000 0.273 444 Q C -0.966 175.135 176.000 0.168 0.000 1.053 444 Q CA -0.565 55.383 55.803 0.242 0.000 0.817 444 Q CB 2.176 31.140 28.738 0.377 0.000 1.326 444 Q HN 0.875 nan 8.270 nan 0.000 0.423 445 Q N 0.957 120.820 119.800 0.104 0.000 2.332 445 Q HA 0.245 4.555 4.340 -0.050 0.000 0.263 445 Q C -0.677 175.373 176.000 0.083 0.000 0.979 445 Q CA 0.190 56.030 55.803 0.061 0.000 0.885 445 Q CB 1.170 29.932 28.738 0.040 0.000 1.218 445 Q HN 0.618 nan 8.270 nan 0.000 0.405 446 C N 2.761 122.088 119.300 0.045 0.000 2.712 446 C HA 0.518 4.948 4.460 -0.050 0.000 0.308 446 C C -1.281 173.714 174.990 0.008 0.000 1.201 446 C CA -0.547 58.513 59.018 0.069 0.000 1.554 446 C CB 1.781 29.612 27.740 0.152 0.000 2.117 446 C HN 0.814 nan 8.230 nan 0.000 0.480 447 Q N 3.089 122.903 119.800 0.023 0.000 2.290 447 Q HA 0.685 4.995 4.340 -0.050 0.000 0.259 447 Q C -0.805 175.192 176.000 -0.005 0.000 0.941 447 Q CA 0.004 55.808 55.803 0.001 0.000 0.912 447 Q CB 1.577 30.322 28.738 0.012 0.000 1.244 447 Q HN 0.750 nan 8.270 nan 0.000 0.441 448 L N 1.898 123.105 121.223 -0.027 0.000 2.292 448 L HA 0.412 4.722 4.340 -0.050 0.000 0.284 448 L C -0.291 176.578 176.870 -0.001 0.000 1.065 448 L CA -1.073 53.756 54.840 -0.019 0.000 0.806 448 L CB 0.916 42.954 42.059 -0.036 0.000 1.175 448 L HN 0.304 nan 8.230 nan 0.000 0.431 449 V N 3.000 122.916 119.914 0.003 0.000 2.521 449 V HA -0.094 3.996 4.120 -0.050 0.000 0.286 449 V C 1.305 177.403 176.094 0.006 0.000 1.034 449 V CA 0.201 62.503 62.300 0.002 0.000 1.045 449 V CB 0.993 32.813 31.823 -0.005 0.000 0.974 449 V HN 0.848 nan 8.190 nan 0.000 0.480 450 D N 3.118 123.521 120.400 0.006 0.000 2.157 450 D HA -0.179 4.431 4.640 -0.050 0.000 0.191 450 D C 0.926 177.232 176.300 0.010 0.000 1.004 450 D CA 1.812 55.817 54.000 0.010 0.000 0.854 450 D CB 0.218 41.023 40.800 0.008 0.000 0.936 450 D HN 0.733 nan 8.370 nan 0.000 0.446 451 D N -0.389 120.013 120.400 0.004 0.000 2.722 451 D HA 0.076 4.686 4.640 -0.050 0.000 0.239 451 D C -0.416 175.885 176.300 0.000 0.000 1.249 451 D CA -0.111 53.891 54.000 0.004 0.000 0.830 451 D CB 0.300 41.100 40.800 0.001 0.000 1.025 451 D HN 0.036 nan 8.370 nan 0.000 0.486 452 S N -0.781 114.922 115.700 0.005 0.000 2.654 452 S HA 0.251 4.691 4.470 -0.050 0.000 0.283 452 S C 1.088 175.695 174.600 0.010 0.000 1.180 452 S CA -0.869 57.329 58.200 -0.002 0.000 1.021 452 S CB 1.974 65.172 63.200 -0.003 0.000 1.018 452 S HN 0.075 nan 8.310 nan 0.000 0.532 453 L N 2.764 123.978 121.223 -0.016 0.000 1.994 453 L HA 0.018 4.328 4.340 -0.050 0.000 0.208 453 L C 2.269 179.162 176.870 0.038 0.000 1.071 453 L CA 1.716 56.548 54.840 -0.014 0.000 0.745 453 L CB -1.063 40.923 42.059 -0.121 0.000 0.892 453 L HN 0.660 nan 8.230 nan 0.000 0.431 454 V N 0.402 120.336 119.914 0.035 0.000 2.546 454 V HA -0.273 3.817 4.120 -0.050 0.000 0.254 454 V C 2.940 179.178 176.094 0.240 0.000 1.076 454 V CA 1.838 64.234 62.300 0.161 0.000 1.087 454 V CB -0.835 31.075 31.823 0.145 0.000 0.674 454 V HN 0.544 nan 8.190 nan 0.000 0.470 455 R N -0.498 120.080 120.500 0.130 0.000 2.090 455 R HA -0.100 4.210 4.340 -0.050 0.000 0.228 455 R C 2.185 178.559 176.300 0.124 0.000 1.110 455 R CA 1.552 57.721 56.100 0.114 0.000 0.973 455 R CB -0.357 29.979 30.300 0.059 0.000 0.869 455 R HN 0.622 nan 8.270 nan 0.000 0.440 456 Q N -0.068 119.795 119.800 0.105 0.000 1.994 456 Q HA -0.046 4.264 4.340 -0.050 0.000 0.198 456 Q C 2.305 178.362 176.000 0.096 0.000 0.976 456 Q CA 1.346 57.202 55.803 0.088 0.000 0.828 456 Q CB -0.093 28.693 28.738 0.079 0.000 0.894 456 Q HN 0.247 nan 8.270 nan 0.000 0.432 457 L N -0.416 120.871 121.223 0.108 0.000 1.976 457 L HA -0.283 4.027 4.340 -0.050 0.000 0.223 457 L C 2.318 179.184 176.870 -0.006 0.000 1.081 457 L CA 1.779 56.649 54.840 0.051 0.000 0.784 457 L CB -0.821 41.273 42.059 0.059 0.000 0.896 457 L HN 0.346 nan 8.230 nan 0.000 0.438 458 Y N -0.535 119.781 120.300 0.026 0.000 2.509 458 Y HA -0.133 4.387 4.550 -0.050 0.000 0.293 458 Y C 1.261 177.160 175.900 -0.002 0.000 1.133 458 Y CA 0.665 58.761 58.100 -0.006 0.000 1.283 458 Y CB -0.442 38.013 38.460 -0.008 0.000 1.001 458 Y HN 0.386 nan 8.280 nan 0.000 0.555 459 N N 0.143 118.936 118.700 0.156 0.000 2.705 459 N HA -0.186 4.524 4.740 -0.050 0.000 0.255 459 N C -1.134 174.432 175.510 0.092 0.000 1.008 459 N CA 0.779 53.886 53.050 0.096 0.000 0.742 459 N CB -0.981 37.541 38.487 0.058 0.000 0.906 459 N HN 0.414 nan 8.380 nan 0.000 0.541 460 A N -0.530 122.349 122.820 0.100 0.000 2.599 460 A HA 0.635 4.925 4.320 -0.050 0.000 0.294 460 A C -2.283 175.317 177.584 0.027 0.000 1.055 460 A CA -0.555 51.516 52.037 0.057 0.000 0.683 460 A CB 1.002 20.033 19.000 0.052 0.000 1.278 460 A HN 0.050 nan 8.150 nan 0.000 0.412 461 P HA 0.066 nan 4.420 nan 0.000 0.217 461 P C 0.687 177.973 177.300 -0.024 0.000 1.154 461 P CA 1.852 64.952 63.100 -0.001 0.000 0.841 461 P CB -0.018 31.685 31.700 0.005 0.000 0.790 462 T N -1.843 112.692 114.554 -0.032 0.000 2.893 462 T HA 0.714 5.034 4.350 -0.050 0.000 0.291 462 T C -0.096 174.548 174.700 -0.094 0.000 1.028 462 T CA -0.940 61.126 62.100 -0.056 0.000 0.995 462 T CB 1.836 70.689 68.868 -0.024 0.000 1.051 462 T HN 0.082 nan 8.240 nan 0.000 0.470 463 I N -0.752 119.721 120.570 -0.162 0.000 3.206 463 I HA 0.921 5.061 4.170 -0.050 0.000 0.313 463 I C -1.694 174.332 176.117 -0.150 0.000 1.103 463 I CA -1.637 59.533 61.300 -0.217 0.000 0.985 463 I CB 2.282 39.950 38.000 -0.552 0.000 1.240 463 I HN 0.468 nan 8.210 nan 0.000 0.464 464 V N 2.633 122.469 119.914 -0.128 0.000 2.531 464 V HA 0.590 4.680 4.120 -0.050 0.000 0.301 464 V C -0.473 175.533 176.094 -0.147 0.000 1.034 464 V CA -0.370 61.883 62.300 -0.079 0.000 0.865 464 V CB 1.500 33.319 31.823 -0.006 0.000 0.995 464 V HN 0.786 nan 8.190 nan 0.000 0.424 465 E N 3.219 123.305 120.200 -0.189 0.000 2.433 465 E HA 0.574 4.894 4.350 -0.050 0.000 0.273 465 E C -1.088 175.436 176.600 -0.127 0.000 0.950 465 E CA -1.052 55.165 56.400 -0.304 0.000 0.796 465 E CB 2.839 31.911 29.700 -1.048 0.000 1.330 465 E HN 0.486 nan 8.360 nan 0.000 0.455 466 R N 0.761 121.240 120.500 -0.035 0.000 2.368 466 R HA 0.474 4.784 4.340 -0.050 0.000 0.302 466 R C -0.513 175.840 176.300 0.088 0.000 1.002 466 R CA -0.472 55.689 56.100 0.101 0.000 0.929 466 R CB 0.827 31.268 30.300 0.235 0.000 1.073 466 R HN 0.417 nan 8.270 nan 0.000 0.464 467 H N 0.761 120.056 119.070 0.375 0.000 2.529 467 H HA 0.452 4.978 4.556 -0.050 0.000 0.348 467 H C -0.199 175.374 175.328 0.409 0.000 1.152 467 H CA -0.787 55.535 56.048 0.455 0.000 1.202 467 H CB 1.829 31.821 29.762 0.383 0.000 1.562 467 H HN 0.229 nan 8.280 nan 0.000 0.515 468 R N 2.297 123.203 120.500 0.677 0.000 2.994 468 R HA 0.125 4.435 4.340 -0.050 0.000 0.219 468 R C -1.876 174.837 176.300 0.688 0.000 1.645 468 R CA -0.419 55.995 56.100 0.523 0.000 1.362 468 R CB -0.051 30.478 30.300 0.382 0.000 1.572 468 R HN 1.048 nan 8.270 nan 0.000 0.659 469 H N -1.655 117.665 119.070 0.417 0.000 3.037 469 H HA 0.453 4.978 4.556 -0.050 0.000 0.336 469 H C -0.330 175.173 175.328 0.293 0.000 1.323 469 H CA -1.048 55.264 56.048 0.440 0.000 1.159 469 H CB 1.228 31.200 29.762 0.350 0.000 1.882 469 H HN 0.136 nan 8.280 nan 0.000 0.535 470 R N -0.072 120.583 120.500 0.259 0.000 2.144 470 R HA 0.158 4.468 4.340 -0.050 0.000 0.195 470 R C -0.274 176.003 176.300 -0.039 0.000 1.077 470 R CA -0.182 55.903 56.100 -0.025 0.000 1.120 470 R CB -0.056 30.174 30.300 -0.116 0.000 1.060 470 R HN 0.290 nan 8.270 nan 0.000 0.520 471 Y N 2.734 123.170 120.300 0.227 0.000 2.610 471 Y HA 0.026 4.546 4.550 -0.050 0.000 0.332 471 Y C 0.798 176.891 175.900 0.320 0.000 1.201 471 Y CA 0.440 58.676 58.100 0.226 0.000 1.465 471 Y CB 0.383 38.947 38.460 0.174 0.000 1.283 471 Y HN 0.004 nan 8.280 nan 0.000 0.563 472 E N 0.695 121.148 120.200 0.421 0.000 2.423 472 E HA 0.394 4.714 4.350 -0.050 0.000 0.269 472 E C -1.267 175.570 176.600 0.394 0.000 0.948 472 E CA -1.168 55.490 56.400 0.429 0.000 0.802 472 E CB 2.236 32.197 29.700 0.436 0.000 1.339 472 E HN 0.212 nan 8.360 nan 0.000 0.445 473 V N 2.677 122.759 119.914 0.281 0.000 2.421 473 V HA -0.019 4.071 4.120 -0.050 0.000 0.271 473 V C 0.525 176.563 176.094 -0.093 0.000 1.031 473 V CA -0.332 62.027 62.300 0.097 0.000 1.032 473 V CB -0.164 31.680 31.823 0.034 0.000 1.009 473 V HN 0.462 nan 8.190 nan 0.000 0.477 474 N N 5.445 123.980 118.700 -0.275 0.000 2.406 474 N HA 0.005 4.715 4.740 -0.050 0.000 0.274 474 N C 1.071 176.115 175.510 -0.776 0.000 1.249 474 N CA 0.197 52.719 53.050 -0.880 0.000 0.951 474 N CB 0.307 38.510 38.487 -0.474 0.000 1.241 474 N HN 0.525 nan 8.380 nan 0.000 0.485 475 N N 3.304 121.328 118.700 -1.127 0.000 2.364 475 N HA -0.097 4.613 4.740 -0.050 0.000 0.183 475 N C 1.325 176.608 175.510 -0.378 0.000 1.022 475 N CA 0.861 53.567 53.050 -0.574 0.000 0.883 475 N CB -0.027 38.210 38.487 -0.416 0.000 0.965 475 N HN 0.638 nan 8.380 nan 0.000 0.438 476 M N -0.397 118.941 119.600 -0.437 0.000 2.549 476 M HA -0.006 4.444 4.480 -0.050 0.000 0.260 476 M C 1.052 177.273 176.300 -0.131 0.000 1.076 476 M CA 0.953 56.132 55.300 -0.202 0.000 1.090 476 M CB 0.126 32.649 32.600 -0.129 0.000 1.418 476 M HN 0.081 nan 8.290 nan 0.000 0.486 477 L N -1.879 119.246 121.223 -0.163 0.000 2.672 477 L HA 0.044 4.354 4.340 -0.050 0.000 0.236 477 L C 1.880 178.700 176.870 -0.084 0.000 1.092 477 L CA -0.391 54.401 54.840 -0.080 0.000 0.887 477 L CB -0.149 41.886 42.059 -0.040 0.000 1.168 477 L HN 0.151 nan 8.230 nan 0.000 0.502 478 L N 0.891 122.042 121.223 -0.120 0.000 1.976 478 L HA -0.310 4.000 4.340 -0.050 0.000 0.223 478 L C 2.588 179.420 176.870 -0.063 0.000 1.081 478 L CA 1.980 56.763 54.840 -0.094 0.000 0.784 478 L CB -0.626 41.369 42.059 -0.107 0.000 0.896 478 L HN 0.151 nan 8.230 nan 0.000 0.438 479 K N -0.954 119.413 120.400 -0.056 0.000 2.127 479 K HA -0.290 4.000 4.320 -0.050 0.000 0.208 479 K C 2.168 178.751 176.600 -0.027 0.000 1.047 479 K CA 2.100 58.365 56.287 -0.037 0.000 0.927 479 K CB -0.160 32.323 32.500 -0.029 0.000 0.716 479 K HN 0.516 nan 8.250 nan 0.000 0.450 480 Q N 0.405 120.189 119.800 -0.028 0.000 2.045 480 Q HA -0.160 4.150 4.340 -0.050 0.000 0.206 480 Q C 2.098 178.089 176.000 -0.015 0.000 0.991 480 Q CA 2.009 57.797 55.803 -0.024 0.000 0.851 480 Q CB -0.024 28.692 28.738 -0.036 0.000 0.911 480 Q HN 0.350 nan 8.270 nan 0.000 0.418 481 I N -0.107 120.457 120.570 -0.009 0.000 2.202 481 I HA -0.206 3.934 4.170 -0.050 0.000 0.242 481 I C 1.892 178.031 176.117 0.037 0.000 1.091 481 I CA 1.262 62.596 61.300 0.057 0.000 1.368 481 I CB -1.082 36.958 38.000 0.067 0.000 1.058 481 I HN 0.277 nan 8.210 nan 0.000 0.410 482 E N 1.756 121.941 120.200 -0.026 0.000 2.065 482 E HA -0.279 4.041 4.350 -0.050 0.000 0.201 482 E C 1.822 178.415 176.600 -0.011 0.000 1.016 482 E CA 1.969 58.343 56.400 -0.044 0.000 0.818 482 E CB -0.316 29.356 29.700 -0.045 0.000 0.749 482 E HN 0.493 nan 8.360 nan 0.000 0.453 483 D N 0.593 120.992 120.400 -0.002 0.000 2.116 483 D HA -0.163 4.447 4.640 -0.050 0.000 0.193 483 D C 1.765 178.081 176.300 0.027 0.000 0.998 483 D CA 1.508 55.510 54.000 0.004 0.000 0.836 483 D CB -0.406 40.392 40.800 -0.003 0.000 0.951 483 D HN 0.211 nan 8.370 nan 0.000 0.449 484 A N -0.675 122.179 122.820 0.057 0.000 2.259 484 A HA 0.233 4.523 4.320 -0.050 0.000 0.212 484 A C 1.824 179.525 177.584 0.195 0.000 1.178 484 A CA 1.806 53.897 52.037 0.090 0.000 0.734 484 A CB -0.409 18.628 19.000 0.062 0.000 0.774 484 A HN 0.379 nan 8.150 nan 0.000 0.481 485 G N -1.837 107.045 108.800 0.138 0.000 2.391 485 G HA2 -0.171 3.759 3.960 -0.050 0.000 0.204 485 G HA3 -0.171 3.759 3.960 -0.050 0.000 0.204 485 G C 0.223 175.087 174.900 -0.061 0.000 1.012 485 G CA -0.059 45.103 45.100 0.102 0.000 0.651 485 G HN 0.790 nan 8.290 nan 0.000 0.494 486 L N 2.156 123.223 121.223 -0.259 0.000 2.529 486 L HA 0.485 4.795 4.340 -0.050 0.000 0.287 486 L C 0.750 177.450 176.870 -0.283 0.000 1.241 486 L CA 0.249 54.741 54.840 -0.581 0.000 0.857 486 L CB 0.364 41.894 42.059 -0.883 0.000 1.113 486 L HN 0.296 nan 8.230 nan 0.000 0.504 487 R N 3.540 123.880 120.500 -0.267 0.000 2.445 487 R HA 0.429 4.739 4.340 -0.050 0.000 0.308 487 R C -1.269 174.950 176.300 -0.133 0.000 0.961 487 R CA -0.900 55.106 56.100 -0.157 0.000 0.862 487 R CB 1.862 32.090 30.300 -0.120 0.000 1.144 487 R HN 0.430 nan 8.270 nan 0.000 0.447 488 V N 3.474 123.332 119.914 -0.093 0.000 2.353 488 V HA 0.118 4.208 4.120 -0.050 0.000 0.264 488 V C 0.899 176.963 176.094 -0.050 0.000 1.049 488 V CA 0.367 62.626 62.300 -0.069 0.000 0.896 488 V CB 1.037 32.830 31.823 -0.050 0.000 1.025 488 V HN 0.989 nan 8.190 nan 0.000 0.475 489 A N 4.455 127.246 122.820 -0.049 0.000 2.081 489 A HA 0.612 4.902 4.320 -0.050 0.000 0.214 489 A C 1.052 178.633 177.584 -0.005 0.000 1.158 489 A CA 0.843 52.862 52.037 -0.030 0.000 0.724 489 A CB 0.121 19.097 19.000 -0.039 0.000 0.826 489 A HN 0.971 nan 8.150 nan 0.000 0.463 490 G N -1.044 107.757 108.800 0.002 0.000 2.698 490 G HA2 0.593 4.522 3.960 -0.050 0.000 0.293 490 G HA3 0.593 4.522 3.960 -0.050 0.000 0.293 490 G C -1.238 173.687 174.900 0.042 0.000 1.437 490 G CA -0.823 44.294 45.100 0.028 0.000 0.852 490 G HN 0.253 nan 8.290 nan 0.000 0.499 491 R N -0.065 120.469 120.500 0.057 0.000 2.740 491 R HA 0.522 4.832 4.340 -0.050 0.000 0.273 491 R C 1.402 177.755 176.300 0.088 0.000 0.998 491 R CA -0.237 55.905 56.100 0.070 0.000 0.900 491 R CB 1.981 32.311 30.300 0.051 0.000 1.223 491 R HN 0.732 nan 8.270 nan 0.000 0.466 492 S N 0.137 115.897 115.700 0.099 0.000 2.365 492 S HA -0.110 4.330 4.470 -0.050 0.000 0.221 492 S C 1.203 175.843 174.600 0.066 0.000 1.037 492 S CA 1.685 59.940 58.200 0.092 0.000 1.060 492 S CB -0.294 62.947 63.200 0.067 0.000 0.974 492 S HN 0.946 nan 8.310 nan 0.000 0.427 493 G N 1.090 109.923 108.800 0.054 0.000 2.535 493 G HA2 -0.119 3.811 3.960 -0.050 0.000 0.095 493 G HA3 -0.119 3.811 3.960 -0.050 0.000 0.095 493 G C 0.489 175.412 174.900 0.037 0.000 2.409 493 G CA 0.668 45.792 45.100 0.041 0.000 1.254 493 G HN 0.435 nan 8.290 nan 0.000 0.367 494 D N 0.873 121.292 120.400 0.031 0.000 2.106 494 D HA -0.081 4.529 4.640 -0.050 0.000 0.194 494 D C 1.621 177.945 176.300 0.038 0.000 0.988 494 D CA 1.643 55.659 54.000 0.027 0.000 0.845 494 D CB -0.275 40.534 40.800 0.015 0.000 0.990 494 D HN 0.167 nan 8.370 nan 0.000 0.448 495 D N -0.171 120.254 120.400 0.043 0.000 2.378 495 D HA -0.084 4.526 4.640 -0.050 0.000 0.227 495 D C 0.216 176.580 176.300 0.106 0.000 1.012 495 D CA 0.255 54.299 54.000 0.074 0.000 0.905 495 D CB -0.212 40.625 40.800 0.061 0.000 0.895 495 D HN 0.305 nan 8.370 nan 0.000 0.532 496 Q N -0.617 119.230 119.800 0.078 0.000 2.435 496 Q HA -0.221 4.089 4.340 -0.050 0.000 0.312 496 Q C -0.724 175.335 176.000 0.098 0.000 1.333 496 Q CA -0.158 55.689 55.803 0.074 0.000 0.883 496 Q CB -1.123 27.650 28.738 0.058 0.000 1.170 496 Q HN 0.290 nan 8.270 nan 0.000 0.443 497 L N -0.373 120.922 121.223 0.119 0.000 2.485 497 L HA 0.072 4.382 4.340 -0.050 0.000 0.275 497 L C 0.591 177.531 176.870 0.116 0.000 1.207 497 L CA 0.418 55.352 54.840 0.157 0.000 0.855 497 L CB 0.522 42.680 42.059 0.166 0.000 1.114 497 L HN -0.020 nan 8.230 nan 0.000 0.485 498 V N 4.203 124.178 119.914 0.102 0.000 2.479 498 V HA 0.044 4.134 4.120 -0.050 0.000 0.281 498 V C 1.030 177.155 176.094 0.052 0.000 1.031 498 V CA 0.044 62.376 62.300 0.054 0.000 1.038 498 V CB 0.754 32.585 31.823 0.013 0.000 0.981 498 V HN 0.817 nan 8.190 nan 0.000 0.478 499 E N 4.576 124.801 120.200 0.041 0.000 2.132 499 E HA 0.263 4.583 4.350 -0.050 0.000 0.193 499 E C 0.074 176.600 176.600 -0.124 0.000 0.951 499 E CA 0.733 57.146 56.400 0.022 0.000 0.843 499 E CB 0.698 30.494 29.700 0.160 0.000 0.807 499 E HN 0.615 nan 8.360 nan 0.000 0.467 500 I N 1.681 122.206 120.570 -0.074 0.000 2.730 500 I HA 0.379 4.519 4.170 -0.050 0.000 0.298 500 I C -0.217 175.849 176.117 -0.084 0.000 1.089 500 I CA -1.041 60.191 61.300 -0.112 0.000 1.041 500 I CB 2.566 40.537 38.000 -0.049 0.000 1.235 500 I HN -0.066 nan 8.210 nan 0.000 0.423 501 I N 0.517 121.027 120.570 -0.101 0.000 2.828 501 I HA 0.726 4.866 4.170 -0.050 0.000 0.302 501 I C -1.306 174.759 176.117 -0.088 0.000 1.101 501 I CA -0.486 60.755 61.300 -0.099 0.000 1.031 501 I CB 2.524 40.462 38.000 -0.104 0.000 1.231 501 I HN 0.601 nan 8.210 nan 0.000 0.427 502 E N 3.127 123.261 120.200 -0.109 0.000 2.343 502 E HA 0.563 4.883 4.350 -0.050 0.000 0.270 502 E C -1.482 175.027 176.600 -0.153 0.000 0.895 502 E CA -1.009 55.337 56.400 -0.089 0.000 0.767 502 E CB 3.295 32.927 29.700 -0.113 0.000 1.248 502 E HN 0.475 nan 8.360 nan 0.000 0.440 503 V N 4.145 123.986 119.914 -0.123 0.000 2.257 503 V HA 0.133 4.223 4.120 -0.050 0.000 0.269 503 V C -1.478 174.564 176.094 -0.086 0.000 1.040 503 V CA -1.349 60.795 62.300 -0.261 0.000 0.813 503 V CB 0.763 32.195 31.823 -0.653 0.000 1.065 503 V HN 0.652 nan 8.190 nan 0.000 0.457 504 P HA -0.207 nan 4.420 nan 0.000 0.220 504 P C 0.674 177.988 177.300 0.024 0.000 1.155 504 P CA 1.534 64.622 63.100 -0.021 0.000 0.880 504 P CB 0.195 31.875 31.700 -0.034 0.000 0.790 505 N N -0.950 117.770 118.700 0.032 0.000 2.389 505 N HA -0.000 4.710 4.740 -0.050 0.000 0.237 505 N C 0.232 175.789 175.510 0.079 0.000 1.148 505 N CA 0.270 53.344 53.050 0.041 0.000 0.854 505 N CB -0.718 37.781 38.487 0.020 0.000 1.115 505 N HN 0.417 nan 8.380 nan 0.000 0.492 506 H N 0.270 119.345 119.070 0.009 0.000 2.622 506 H HA 0.233 4.759 4.556 -0.050 0.000 0.363 506 H C -1.493 173.905 175.328 0.117 0.000 1.151 506 H CA -1.572 54.514 56.048 0.064 0.000 1.184 506 H CB 2.700 32.514 29.762 0.087 0.000 1.643 506 H HN -0.123 nan 8.280 nan 0.000 0.531 507 P HA -0.148 nan 4.420 nan 0.000 0.213 507 P C -0.337 177.213 177.300 0.416 0.000 1.170 507 P CA 1.227 64.393 63.100 0.110 0.000 0.902 507 P CB 0.529 32.243 31.700 0.023 0.000 0.789 508 W N -0.917 120.677 121.300 0.491 0.000 3.097 508 W HA 0.467 5.097 4.660 -0.050 0.000 0.325 508 W C -1.986 174.814 176.519 0.468 0.000 1.056 508 W CA -0.477 57.115 57.345 0.412 0.000 1.254 508 W CB 0.845 30.449 29.460 0.240 0.000 1.202 508 W HN -0.297 nan 8.180 nan 0.000 0.400 509 F N 6.583 126.515 119.950 -0.030 0.000 2.716 509 F HA 0.661 5.158 4.527 -0.050 0.000 0.354 509 F C -1.166 174.421 175.800 -0.355 0.000 1.168 509 F CA -0.754 57.127 58.000 -0.199 0.000 1.045 509 F CB 0.813 39.558 39.000 -0.425 0.000 1.311 509 F HN -0.099 nan 8.300 nan 0.000 0.477 510 V N 3.653 123.261 119.914 -0.510 0.000 2.876 510 V HA 0.946 5.036 4.120 -0.050 0.000 0.312 510 V C -0.766 175.125 176.094 -0.338 0.000 1.085 510 V CA -0.908 61.127 62.300 -0.441 0.000 0.945 510 V CB 1.743 33.158 31.823 -0.681 0.000 1.017 510 V HN 0.823 nan 8.190 nan 0.000 0.428 511 A N 2.512 125.195 122.820 -0.229 0.000 2.465 511 A HA 0.806 5.096 4.320 -0.050 0.000 0.292 511 A C -0.593 176.825 177.584 -0.277 0.000 1.041 511 A CA -0.401 51.499 52.037 -0.229 0.000 0.718 511 A CB 1.201 20.152 19.000 -0.082 0.000 1.266 511 A HN 1.489 nan 8.150 nan 0.000 0.403 512 C N 0.763 119.804 119.300 -0.431 0.000 2.719 512 C HA 0.739 5.169 4.460 -0.050 0.000 0.327 512 C C 1.036 175.580 174.990 -0.742 0.000 1.238 512 C CA -0.553 58.036 59.018 -0.714 0.000 1.727 512 C CB 1.587 28.580 27.740 -1.245 0.000 2.256 512 C HN 0.887 nan 8.230 nan 0.000 0.489 513 Q N 0.274 119.603 119.800 -0.786 0.000 2.089 513 Q HA 0.105 4.415 4.340 -0.050 0.000 0.195 513 Q C 0.905 176.556 176.000 -0.581 0.000 0.963 513 Q CA 1.209 56.661 55.803 -0.585 0.000 0.834 513 Q CB -0.221 28.290 28.738 -0.378 0.000 0.906 513 Q HN 0.861 nan 8.270 nan 0.000 0.452 514 F N 0.134 119.952 119.950 -0.220 0.000 2.514 514 F HA 0.109 4.606 4.527 -0.050 0.000 0.309 514 F C 0.498 176.081 175.800 -0.362 0.000 1.279 514 F CA -0.262 57.542 58.000 -0.326 0.000 1.304 514 F CB -0.093 38.632 39.000 -0.460 0.000 1.223 514 F HN -0.023 nan 8.300 nan 0.000 0.563 515 H N 2.067 121.238 119.070 0.169 0.000 2.643 515 H HA 0.177 4.704 4.556 -0.050 0.000 0.259 515 H C -1.767 173.546 175.328 -0.026 0.000 1.298 515 H CA -1.449 54.544 56.048 -0.093 0.000 1.301 515 H CB 0.827 30.243 29.762 -0.575 0.000 1.422 515 H HN 0.399 nan 8.280 nan 0.000 0.521 516 P HA -0.254 nan 4.420 nan 0.000 0.216 516 P C 1.523 178.792 177.300 -0.053 0.000 1.150 516 P CA 1.302 64.454 63.100 0.088 0.000 0.843 516 P CB 0.394 32.155 31.700 0.102 0.000 0.787 517 E N 0.580 120.802 120.200 0.037 0.000 2.219 517 E HA -0.211 4.109 4.350 -0.050 0.000 0.198 517 E C 1.704 178.315 176.600 0.019 0.000 0.998 517 E CA 1.174 57.496 56.400 -0.129 0.000 0.818 517 E CB -1.639 27.970 29.700 -0.151 0.000 0.741 517 E HN 0.396 nan 8.360 nan 0.000 0.477 518 F N 1.821 121.850 119.950 0.132 0.000 2.802 518 F HA 0.033 4.530 4.527 -0.050 0.000 0.300 518 F C 1.830 177.727 175.800 0.162 0.000 1.168 518 F CA 0.904 58.980 58.000 0.126 0.000 1.433 518 F CB 0.140 39.071 39.000 -0.115 0.000 1.115 518 F HN 0.116 nan 8.300 nan 0.000 0.582 519 T N -5.022 109.700 114.554 0.279 0.000 3.003 519 T HA 0.094 4.414 4.350 -0.050 0.000 0.261 519 T C 0.688 175.560 174.700 0.286 0.000 1.003 519 T CA -0.184 62.089 62.100 0.288 0.000 0.917 519 T CB -0.043 68.996 68.868 0.285 0.000 1.084 519 T HN -0.015 nan 8.240 nan 0.000 0.522 520 S N 1.315 117.151 115.700 0.227 0.000 2.568 520 S HA 0.462 4.902 4.470 -0.050 0.000 0.282 520 S C -0.320 174.372 174.600 0.153 0.000 1.338 520 S CA 0.224 58.558 58.200 0.223 0.000 1.045 520 S CB 0.284 63.558 63.200 0.123 0.000 0.873 520 S HN 0.494 nan 8.310 nan 0.000 0.516 521 T N 4.542 119.043 114.554 -0.088 0.000 2.923 521 T HA 0.465 4.785 4.350 -0.050 0.000 0.311 521 T C -2.117 172.030 174.700 -0.922 0.000 1.183 521 T CA -1.035 60.842 62.100 -0.372 0.000 1.020 521 T CB 1.853 70.629 68.868 -0.154 0.000 1.165 521 T HN 0.375 nan 8.240 nan 0.000 0.482 522 P HA 0.023 nan 4.420 nan 0.000 0.219 522 P C 1.186 178.125 177.300 -0.601 0.000 1.150 522 P CA 0.912 63.449 63.100 -0.939 0.000 0.814 522 P CB 0.374 31.602 31.700 -0.787 0.000 0.787 523 R N -0.099 120.060 120.500 -0.568 0.000 2.062 523 R HA -0.003 4.307 4.340 -0.050 0.000 0.226 523 R C 1.352 177.466 176.300 -0.310 0.000 1.125 523 R CA 1.379 57.185 56.100 -0.491 0.000 0.966 523 R CB -0.332 29.618 30.300 -0.583 0.000 0.861 523 R HN 0.252 nan 8.270 nan 0.000 0.433 524 D N -0.650 119.602 120.400 -0.246 0.000 2.398 524 D HA 0.146 4.756 4.640 -0.050 0.000 0.210 524 D C 0.975 177.215 176.300 -0.100 0.000 1.094 524 D CA 0.618 54.529 54.000 -0.147 0.000 0.839 524 D CB 0.836 41.575 40.800 -0.101 0.000 0.963 524 D HN 0.281 nan 8.370 nan 0.000 0.506 525 G N 1.209 109.936 108.800 -0.122 0.000 2.601 525 G HA2 -0.280 3.650 3.960 -0.050 0.000 0.261 525 G HA3 -0.280 3.650 3.960 -0.050 0.000 0.261 525 G C -0.341 174.633 174.900 0.124 0.000 1.289 525 G CA -0.161 44.939 45.100 -0.000 0.000 0.920 525 G HN 0.477 nan 8.290 nan 0.000 0.571 526 H N 0.605 119.725 119.070 0.083 0.000 3.128 526 H HA 0.314 4.840 4.556 -0.050 0.000 0.336 526 H C -1.811 173.574 175.328 0.096 0.000 1.026 526 H CA -0.589 55.535 56.048 0.127 0.000 1.376 526 H CB 2.101 32.038 29.762 0.291 0.000 1.882 526 H HN 0.209 nan 8.280 nan 0.000 0.479 527 P HA -0.195 nan 4.420 nan 0.000 0.217 527 P C 1.852 179.091 177.300 -0.101 0.000 1.158 527 P CA 1.128 64.013 63.100 -0.359 0.000 0.887 527 P CB 0.530 31.768 31.700 -0.769 0.000 0.792 528 L N -2.616 118.630 121.223 0.038 0.000 1.976 528 L HA -0.174 4.136 4.340 -0.050 0.000 0.209 528 L C 2.658 179.628 176.870 0.166 0.000 1.071 528 L CA 1.622 56.589 54.840 0.211 0.000 0.746 528 L CB -1.088 41.081 42.059 0.183 0.000 0.890 528 L HN -0.116 nan 8.230 nan 0.000 0.432 529 F N 0.104 120.236 119.950 0.304 0.000 2.091 529 F HA -0.293 4.204 4.527 -0.050 0.000 0.299 529 F C 2.648 178.509 175.800 0.102 0.000 1.103 529 F CA 1.381 59.495 58.000 0.189 0.000 1.228 529 F CB -0.825 38.272 39.000 0.161 0.000 0.984 529 F HN 0.065 nan 8.300 nan 0.000 0.477 530 A N 0.558 123.533 122.820 0.257 0.000 1.849 530 A HA -0.184 4.106 4.320 -0.050 0.000 0.217 530 A C 2.587 180.159 177.584 -0.020 0.000 1.202 530 A CA 2.214 54.308 52.037 0.094 0.000 0.629 530 A CB -1.702 17.332 19.000 0.057 0.000 0.834 530 A HN 0.422 nan 8.150 nan 0.000 0.447 531 G N -1.481 107.316 108.800 -0.006 0.000 2.476 531 G HA2 -0.308 3.622 3.960 -0.050 0.000 0.218 531 G HA3 -0.308 3.622 3.960 -0.050 0.000 0.218 531 G C 1.556 176.064 174.900 -0.653 0.000 1.164 531 G CA 1.274 46.322 45.100 -0.087 0.000 0.768 531 G HN 0.573 nan 8.290 nan 0.000 0.560 532 F N 0.840 120.185 119.950 -1.009 0.000 2.134 532 F HA -0.105 4.392 4.527 -0.050 0.000 0.299 532 F C 2.694 178.073 175.800 -0.703 0.000 1.097 532 F CA 1.493 58.633 58.000 -1.434 0.000 1.264 532 F CB -0.063 38.379 39.000 -0.931 0.000 1.001 532 F HN 0.017 nan 8.300 nan 0.000 0.479 533 V N 0.878 120.522 119.914 -0.450 0.000 2.343 533 V HA -0.319 3.771 4.120 -0.050 0.000 0.247 533 V C 2.368 178.251 176.094 -0.351 0.000 1.051 533 V CA 2.254 64.313 62.300 -0.401 0.000 1.036 533 V CB -0.746 30.988 31.823 -0.149 0.000 0.654 533 V HN 0.341 nan 8.190 nan 0.000 0.451 534 K N 0.803 121.031 120.400 -0.287 0.000 2.034 534 K HA -0.259 4.031 4.320 -0.050 0.000 0.214 534 K C 2.135 178.601 176.600 -0.223 0.000 1.051 534 K CA 2.148 58.313 56.287 -0.203 0.000 0.931 534 K CB -0.596 31.815 32.500 -0.149 0.000 0.715 534 K HN 0.389 nan 8.250 nan 0.000 0.446 535 A N 0.704 123.308 122.820 -0.360 0.000 1.908 535 A HA -0.150 4.140 4.320 -0.050 0.000 0.218 535 A C 2.401 179.861 177.584 -0.206 0.000 1.181 535 A CA 2.203 54.075 52.037 -0.276 0.000 0.627 535 A CB -1.165 17.551 19.000 -0.472 0.000 0.818 535 A HN 0.557 nan 8.150 nan 0.000 0.445 536 A N -1.019 121.572 122.820 -0.381 0.000 1.940 536 A HA -0.116 4.174 4.320 -0.050 0.000 0.219 536 A C 2.449 179.998 177.584 -0.058 0.000 1.176 536 A CA 2.205 54.078 52.037 -0.272 0.000 0.631 536 A CB -0.911 17.818 19.000 -0.452 0.000 0.814 536 A HN 0.525 nan 8.150 nan 0.000 0.446 537 S N -0.709 114.932 115.700 -0.098 0.000 2.343 537 S HA -0.201 4.239 4.470 -0.050 0.000 0.219 537 S C 1.915 176.517 174.600 0.003 0.000 1.033 537 S CA 1.679 59.853 58.200 -0.043 0.000 1.014 537 S CB -0.374 62.787 63.200 -0.064 0.000 0.915 537 S HN 0.660 nan 8.310 nan 0.000 0.435 538 E N -0.205 119.996 120.200 0.002 0.000 2.086 538 E HA -0.223 4.097 4.350 -0.050 0.000 0.205 538 E C 1.769 178.409 176.600 0.067 0.000 1.027 538 E CA 1.815 58.230 56.400 0.026 0.000 0.830 538 E CB -0.365 29.355 29.700 0.034 0.000 0.751 538 E HN 0.607 nan 8.360 nan 0.000 0.456 539 F N 1.977 121.895 119.950 -0.053 0.000 2.043 539 F HA -0.323 4.174 4.527 -0.050 0.000 0.297 539 F C 2.573 178.352 175.800 -0.034 0.000 1.121 539 F CA 2.127 60.105 58.000 -0.036 0.000 1.199 539 F CB -0.559 38.419 39.000 -0.035 0.000 0.968 539 F HN -0.012 nan 8.300 nan 0.000 0.478 540 Q N 1.300 121.131 119.800 0.052 0.000 2.065 540 Q HA -0.302 4.008 4.340 -0.050 0.000 0.213 540 Q C 2.098 177.995 176.000 -0.172 0.000 1.012 540 Q CA 2.878 58.631 55.803 -0.083 0.000 0.876 540 Q CB -0.458 28.289 28.738 0.015 0.000 0.954 540 Q HN 0.571 nan 8.270 nan 0.000 0.413 541 K N -0.003 120.336 120.400 -0.102 0.000 1.965 541 K HA -0.170 4.120 4.320 -0.050 0.000 0.218 541 K C 2.419 178.935 176.600 -0.140 0.000 1.048 541 K CA 1.331 57.561 56.287 -0.096 0.000 0.960 541 K CB -0.492 31.974 32.500 -0.057 0.000 0.732 541 K HN 0.177 nan 8.250 nan 0.000 0.444 542 R N 1.162 121.582 120.500 -0.134 0.000 2.196 542 R HA -0.224 4.086 4.340 -0.050 0.000 0.244 542 R C 1.582 177.755 176.300 -0.212 0.000 1.121 542 R CA 1.807 57.819 56.100 -0.146 0.000 0.930 542 R CB -0.504 29.718 30.300 -0.130 0.000 0.890 542 R HN 0.219 nan 8.270 nan 0.000 0.435 543 Q N -0.047 119.523 119.800 -0.383 0.000 2.417 543 Q HA 0.184 4.494 4.340 -0.050 0.000 0.183 543 Q C -0.884 174.961 176.000 -0.258 0.000 0.908 543 Q CA 0.671 56.216 55.803 -0.430 0.000 0.994 543 Q CB 0.137 28.348 28.738 -0.878 0.000 1.557 543 Q HN 0.403 nan 8.270 nan 0.000 0.382 544 A N 0.000 122.719 122.820 -0.168 0.000 2.254 544 A HA 0.000 4.290 4.320 -0.050 0.000 0.244 544 A CA 0.000 51.971 52.037 -0.111 0.000 0.836 544 A CB 0.000 18.939 19.000 -0.102 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486