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 2ad5_1_B 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 DENGNVEVXX XXXXXXXTMR LGAQQCQLVD DATA SEQUENCE DSLVRQLYNA PTIVERHRHR YEVNNMLLKQ IEDAGLRVAG RSGDDQLVEI DATA SEQUENCE IEVPNHPWFV ACQFHPEFTS TPRDGHPLFA GFVKAASEFQ KRQAK 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 0.000 176.231 176.300 -0.114 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2 T N 2.518 116.983 114.554 -0.148 0.000 2.856 2 T HA 0.521 4.857 4.350 -0.023 0.000 0.292 2 T C 0.324 174.847 174.700 -0.295 0.000 0.980 2 T CA -0.262 61.678 62.100 -0.268 0.000 1.091 2 T CB 0.800 69.389 68.868 -0.465 0.000 0.936 2 T HN 0.639 nan 8.240 nan 0.000 0.503 3 T N 4.291 118.653 114.554 -0.320 0.000 2.910 3 T HA 0.327 4.663 4.350 -0.023 0.000 0.293 3 T C 0.246 174.613 174.700 -0.555 0.000 1.015 3 T CA -0.724 61.131 62.100 -0.408 0.000 1.094 3 T CB 0.333 68.958 68.868 -0.404 0.000 0.968 3 T HN 0.515 nan 8.240 nan 0.000 0.521 4 N N 1.097 119.352 118.700 -0.741 0.000 2.272 4 N HA 0.415 5.141 4.740 -0.023 0.000 0.305 4 N C -1.593 173.311 175.510 -1.011 0.000 1.103 4 N CA -0.498 52.004 53.050 -0.914 0.000 0.791 4 N CB 2.029 39.661 38.487 -1.426 0.000 1.356 4 N HN 0.518 nan 8.380 nan 0.000 0.486 5 Y N 0.461 120.427 120.300 -0.556 0.000 2.391 5 Y HA 0.522 5.059 4.550 -0.022 0.000 0.341 5 Y C 0.132 175.655 175.900 -0.628 0.000 0.965 5 Y CA -0.705 57.029 58.100 -0.611 0.000 1.067 5 Y CB 1.854 39.828 38.460 -0.811 0.000 1.199 5 Y HN 0.267 nan 8.280 nan 0.000 0.450 6 I N 4.724 125.045 120.570 -0.415 0.000 2.359 6 I HA 0.256 4.412 4.170 -0.023 0.000 0.284 6 I C -1.165 174.690 176.117 -0.436 0.000 1.018 6 I CA -0.552 60.569 61.300 -0.298 0.000 1.173 6 I CB 0.430 38.388 38.000 -0.070 0.000 1.326 6 I HN 0.417 nan 8.210 nan 0.000 0.462 7 F N 5.956 125.821 119.950 -0.143 0.000 2.445 7 F HA 0.285 4.802 4.527 -0.018 0.000 0.359 7 F C 0.383 176.184 175.800 0.001 0.000 1.101 7 F CA -0.579 57.352 58.000 -0.116 0.000 1.177 7 F CB 0.779 39.632 39.000 -0.245 0.000 1.110 7 F HN 0.052 nan 8.300 nan 0.000 0.522 8 V N 3.009 123.025 119.914 0.170 0.000 2.370 8 V HA 0.588 4.694 4.120 -0.023 0.000 0.283 8 V C 0.087 176.280 176.094 0.165 0.000 1.023 8 V CA -0.586 61.795 62.300 0.135 0.000 0.857 8 V CB 1.305 33.153 31.823 0.042 0.000 0.985 8 V HN 0.891 nan 8.190 nan 0.000 0.443 9 T N 1.585 116.269 114.554 0.216 0.000 2.901 9 T HA 0.895 5.231 4.350 -0.023 0.000 0.293 9 T C -0.154 174.608 174.700 0.104 0.000 1.084 9 T CA -0.419 61.820 62.100 0.232 0.000 1.008 9 T CB 2.208 71.314 68.868 0.397 0.000 1.170 9 T HN 0.951 nan 8.240 nan 0.000 0.509 10 G N -1.217 107.606 108.800 0.037 0.000 2.563 10 G HA2 0.757 4.703 3.960 -0.023 0.000 0.302 10 G HA3 0.757 4.703 3.960 -0.023 0.000 0.302 10 G C -0.539 174.300 174.900 -0.102 0.000 1.301 10 G CA -0.579 44.415 45.100 -0.178 0.000 0.965 10 G HN 1.074 nan 8.290 nan 0.000 0.480 11 G N -1.916 106.751 108.800 -0.222 0.000 2.818 11 G HA2 0.672 4.618 3.960 -0.023 0.000 0.286 11 G HA3 0.672 4.618 3.960 -0.023 0.000 0.286 11 G C 0.481 175.396 174.900 0.026 0.000 1.364 11 G CA 0.237 45.362 45.100 0.043 0.000 0.938 11 G HN 1.597 nan 8.290 nan 0.000 0.490 12 V N -2.435 117.524 119.914 0.075 0.000 0.582 12 V HA -0.321 3.785 4.120 -0.023 0.000 0.092 12 V C 1.069 177.186 176.094 0.037 0.000 1.874 12 V CA 2.783 65.115 62.300 0.053 0.000 3.418 12 V CB -2.235 29.608 31.823 0.034 0.000 0.707 12 V HN 2.153 nan 8.190 nan 0.000 0.732 13 V N -2.634 117.292 119.914 0.021 0.000 3.181 13 V HA 0.997 5.103 4.120 -0.023 0.000 0.308 13 V C -0.243 175.860 176.094 0.015 0.000 1.214 13 V CA 0.063 62.374 62.300 0.019 0.000 1.053 13 V CB 2.007 33.836 31.823 0.010 0.000 1.069 13 V HN 1.526 nan 8.190 nan 0.000 0.441 14 S N -0.259 115.452 115.700 0.019 0.000 2.722 14 S HA 0.732 5.188 4.470 -0.023 0.000 0.292 14 S C 0.298 174.902 174.600 0.005 0.000 1.135 14 S CA 0.156 58.368 58.200 0.021 0.000 1.003 14 S CB 1.159 64.382 63.200 0.039 0.000 1.067 14 S HN 2.311 nan 8.310 nan 0.000 0.546 15 S N -0.320 115.382 115.700 0.002 0.000 3.696 15 S HA -0.103 4.353 4.470 -0.023 0.000 0.302 15 S C 0.176 174.765 174.600 -0.018 0.000 1.182 15 S CA 0.523 58.717 58.200 -0.010 0.000 0.857 15 S CB -1.782 61.409 63.200 -0.014 0.000 0.960 15 S HN 0.779 nan 8.310 nan 0.000 0.559 16 L N 0.866 122.077 121.223 -0.021 0.000 2.446 16 L HA 0.433 4.759 4.340 -0.023 0.000 0.219 16 L C 1.607 178.446 176.870 -0.051 0.000 1.116 16 L CA 2.069 56.887 54.840 -0.037 0.000 0.844 16 L CB -0.453 41.579 42.059 -0.045 0.000 0.970 16 L HN 0.981 nan 8.230 nan 0.000 0.457 17 G N -0.438 108.332 108.800 -0.049 0.000 2.140 17 G HA2 -0.306 3.640 3.960 -0.023 0.000 0.211 17 G HA3 -0.306 3.640 3.960 -0.023 0.000 0.211 17 G C 1.107 175.958 174.900 -0.081 0.000 1.013 17 G CA 0.546 45.599 45.100 -0.078 0.000 0.705 17 G HN 0.491 nan 8.290 nan 0.000 0.508 18 K N -0.611 119.763 120.400 -0.044 0.000 2.097 18 K HA 0.092 4.398 4.320 -0.023 0.000 0.206 18 K C 2.530 179.123 176.600 -0.012 0.000 1.049 18 K CA 1.355 57.623 56.287 -0.031 0.000 0.933 18 K CB -0.430 32.064 32.500 -0.009 0.000 0.717 18 K HN 0.537 nan 8.250 nan 0.000 0.442 19 G N 2.019 110.830 108.800 0.019 0.000 2.433 19 G HA2 -0.232 3.714 3.960 -0.023 0.000 0.216 19 G HA3 -0.232 3.714 3.960 -0.023 0.000 0.216 19 G C 1.502 176.390 174.900 -0.021 0.000 1.186 19 G CA 1.013 46.172 45.100 0.097 0.000 0.779 19 G HN 0.184 nan 8.290 nan 0.000 0.543 20 I N 1.758 122.193 120.570 -0.224 0.000 2.179 20 I HA -0.121 4.035 4.170 -0.023 0.000 0.242 20 I C 3.222 179.098 176.117 -0.402 0.000 1.088 20 I CA 1.358 62.394 61.300 -0.440 0.000 1.357 20 I CB -0.243 37.484 38.000 -0.456 0.000 1.051 20 I HN 0.222 nan 8.210 nan 0.000 0.409 21 A N 0.159 122.829 122.820 -0.249 0.000 1.940 21 A HA -0.192 4.114 4.320 -0.023 0.000 0.219 21 A C 2.479 179.943 177.584 -0.200 0.000 1.176 21 A CA 1.984 53.895 52.037 -0.210 0.000 0.631 21 A CB -1.004 17.915 19.000 -0.136 0.000 0.814 21 A HN 0.441 nan 8.150 nan 0.000 0.446 22 A N -0.259 122.468 122.820 -0.156 0.000 1.872 22 A HA 0.248 4.554 4.320 -0.023 0.000 0.214 22 A C 2.521 179.984 177.584 -0.202 0.000 1.187 22 A CA 1.841 53.790 52.037 -0.147 0.000 0.614 22 A CB -1.050 17.882 19.000 -0.112 0.000 0.826 22 A HN 1.037 nan 8.150 nan 0.000 0.442 23 A N -0.260 122.418 122.820 -0.238 0.000 1.883 23 A HA -0.118 4.188 4.320 -0.023 0.000 0.217 23 A C 2.449 179.780 177.584 -0.422 0.000 1.186 23 A CA 2.232 54.090 52.037 -0.299 0.000 0.624 23 A CB -1.006 17.713 19.000 -0.469 0.000 0.822 23 A HN 0.455 nan 8.150 nan 0.000 0.444 24 S N -0.525 114.785 115.700 -0.650 0.000 2.359 24 S HA -0.180 4.276 4.470 -0.023 0.000 0.224 24 S C 1.878 176.360 174.600 -0.196 0.000 1.035 24 S CA 1.567 59.511 58.200 -0.428 0.000 1.018 24 S CB -0.508 62.461 63.200 -0.385 0.000 0.876 24 S HN 0.478 nan 8.310 nan 0.000 0.448 25 L N 1.949 123.069 121.223 -0.171 0.000 2.012 25 L HA -0.063 4.263 4.340 -0.023 0.000 0.210 25 L C 2.424 179.260 176.870 -0.057 0.000 1.073 25 L CA 1.984 56.767 54.840 -0.096 0.000 0.748 25 L CB -1.211 40.796 42.059 -0.087 0.000 0.891 25 L HN 0.256 nan 8.230 nan 0.000 0.431 26 A N -0.447 122.331 122.820 -0.069 0.000 1.892 26 A HA -0.235 4.071 4.320 -0.023 0.000 0.218 26 A C 2.482 180.097 177.584 0.052 0.000 1.188 26 A CA 2.415 54.437 52.037 -0.024 0.000 0.631 26 A CB -1.378 17.597 19.000 -0.043 0.000 0.822 26 A HN 0.608 nan 8.150 nan 0.000 0.447 27 A N 0.557 123.435 122.820 0.096 0.000 1.892 27 A HA -0.184 4.122 4.320 -0.023 0.000 0.218 27 A C 2.181 179.849 177.584 0.141 0.000 1.188 27 A CA 1.931 54.086 52.037 0.195 0.000 0.631 27 A CB -0.949 18.159 19.000 0.179 0.000 0.822 27 A HN 1.187 nan 8.150 nan 0.000 0.447 28 I N -2.795 117.802 120.570 0.044 0.000 2.493 28 I HA -0.123 4.033 4.170 -0.023 0.000 0.254 28 I C 1.866 178.021 176.117 0.063 0.000 1.160 28 I CA 1.381 62.711 61.300 0.050 0.000 1.445 28 I CB -0.227 37.778 38.000 0.008 0.000 1.086 28 I HN 0.232 nan 8.210 nan 0.000 0.433 29 L N 0.757 122.012 121.223 0.052 0.000 2.270 29 L HA 0.014 4.340 4.340 -0.023 0.000 0.210 29 L C 2.636 179.545 176.870 0.065 0.000 1.104 29 L CA 0.920 55.791 54.840 0.051 0.000 0.804 29 L CB -0.594 41.487 42.059 0.037 0.000 0.937 29 L HN 0.365 nan 8.230 nan 0.000 0.450 30 E N 1.307 121.559 120.200 0.087 0.000 2.038 30 E HA -0.261 4.075 4.350 -0.023 0.000 0.195 30 E C 2.223 178.882 176.600 0.097 0.000 1.000 30 E CA 1.407 57.867 56.400 0.099 0.000 0.803 30 E CB -0.047 29.740 29.700 0.145 0.000 0.750 30 E HN 0.399 nan 8.360 nan 0.000 0.448 31 A N 0.700 123.595 122.820 0.126 0.000 2.139 31 A HA -0.169 4.137 4.320 -0.023 0.000 0.221 31 A C 2.015 179.646 177.584 0.079 0.000 1.159 31 A CA 1.367 53.475 52.037 0.118 0.000 0.662 31 A CB -0.432 18.666 19.000 0.163 0.000 0.796 31 A HN 0.165 nan 8.150 nan 0.000 0.463 32 R N -1.397 119.143 120.500 0.067 0.000 2.466 32 R HA 0.292 4.618 4.340 -0.023 0.000 0.279 32 R C 0.887 177.212 176.300 0.042 0.000 0.976 32 R CA 0.534 56.664 56.100 0.050 0.000 1.081 32 R CB -0.127 30.200 30.300 0.046 0.000 1.215 32 R HN 0.615 nan 8.270 nan 0.000 0.546 33 G N 1.306 110.134 108.800 0.045 0.000 2.246 33 G HA2 -0.275 3.671 3.960 -0.023 0.000 0.273 33 G HA3 -0.275 3.671 3.960 -0.023 0.000 0.273 33 G C -0.237 174.684 174.900 0.034 0.000 1.055 33 G CA -0.029 45.094 45.100 0.037 0.000 0.851 33 G HN 0.216 nan 8.290 nan 0.000 0.500 34 L N -0.334 120.913 121.223 0.041 0.000 2.331 34 L HA 0.474 4.800 4.340 -0.023 0.000 0.275 34 L C 0.447 177.342 176.870 0.041 0.000 1.022 34 L CA -1.254 53.606 54.840 0.034 0.000 0.812 34 L CB 1.474 43.554 42.059 0.034 0.000 1.257 34 L HN 0.135 nan 8.230 nan 0.000 0.435 35 N N 2.051 120.774 118.700 0.038 0.000 2.415 35 N HA 0.296 5.022 4.740 -0.023 0.000 0.250 35 N C -1.181 174.396 175.510 0.111 0.000 1.127 35 N CA 0.013 53.111 53.050 0.080 0.000 0.945 35 N CB 0.536 39.052 38.487 0.049 0.000 1.196 35 N HN 0.236 nan 8.380 nan 0.000 0.499 36 V N 1.689 121.657 119.914 0.090 0.000 3.001 36 V HA 0.667 4.773 4.120 -0.023 0.000 0.314 36 V C 0.252 176.244 176.094 -0.170 0.000 1.099 36 V CA -0.676 61.606 62.300 -0.031 0.000 0.989 36 V CB 2.082 33.890 31.823 -0.026 0.000 1.040 36 V HN 0.642 nan 8.190 nan 0.000 0.434 37 T N 2.677 117.026 114.554 -0.343 0.000 2.792 37 T HA 0.765 5.101 4.350 -0.023 0.000 0.303 37 T C -1.801 172.685 174.700 -0.356 0.000 1.310 37 T CA -0.291 61.557 62.100 -0.420 0.000 1.007 37 T CB 1.395 69.784 68.868 -0.799 0.000 1.335 37 T HN 0.470 nan 8.240 nan 0.000 0.504 38 I N 2.892 123.238 120.570 -0.372 0.000 2.865 38 I HA 0.677 4.833 4.170 -0.023 0.000 0.302 38 I C -0.521 175.362 176.117 -0.390 0.000 1.140 38 I CA -1.202 59.794 61.300 -0.506 0.000 1.021 38 I CB 2.303 39.706 38.000 -0.994 0.000 1.233 38 I HN 0.716 nan 8.210 nan 0.000 0.427 39 M N 2.661 122.080 119.600 -0.302 0.000 2.470 39 M HA 0.686 5.152 4.480 -0.023 0.000 0.285 39 M C -1.688 174.574 176.300 -0.063 0.000 1.213 39 M CA -0.792 54.453 55.300 -0.091 0.000 0.901 39 M CB 2.665 35.266 32.600 0.002 0.000 1.718 39 M HN 0.428 nan 8.290 nan 0.000 0.469 40 K N 2.790 123.192 120.400 0.003 0.000 2.292 40 K HA 0.706 5.012 4.320 -0.023 0.000 0.257 40 K C -2.275 174.100 176.600 -0.375 0.000 0.940 40 K CA -0.346 55.899 56.287 -0.071 0.000 0.811 40 K CB 1.620 34.175 32.500 0.091 0.000 1.120 40 K HN 0.778 nan 8.250 nan 0.000 0.428 41 L N 4.216 125.112 121.223 -0.545 0.000 2.280 41 L HA 0.397 4.723 4.340 -0.023 0.000 0.287 41 L C -0.776 175.712 176.870 -0.637 0.000 1.023 41 L CA -0.058 54.193 54.840 -0.983 0.000 0.819 41 L CB 1.527 42.698 42.059 -1.480 0.000 1.212 41 L HN 0.661 nan 8.230 nan 0.000 0.420 42 D N 5.815 125.931 120.400 -0.473 0.000 2.233 42 D HA 0.297 4.923 4.640 -0.023 0.000 0.240 42 D C -1.685 174.526 176.300 -0.149 0.000 1.074 42 D CA -1.277 52.477 54.000 -0.411 0.000 0.838 42 D CB 2.186 42.456 40.800 -0.885 0.000 1.124 42 D HN 0.271 nan 8.370 nan 0.000 0.475 43 P HA -0.073 nan 4.420 nan 0.000 0.234 43 P C 0.144 177.412 177.300 -0.053 0.000 1.167 43 P CA 0.498 63.648 63.100 0.082 0.000 0.763 43 P CB -0.209 31.559 31.700 0.114 0.000 0.835 44 Y N -1.376 118.954 120.300 0.050 0.000 2.314 44 Y HA 0.251 4.786 4.550 -0.024 0.000 0.334 44 Y C 1.711 177.610 175.900 -0.002 0.000 1.266 44 Y CA -1.111 56.981 58.100 -0.015 0.000 1.391 44 Y CB -0.280 38.129 38.460 -0.086 0.000 1.306 44 Y HN -0.337 nan 8.280 nan 0.000 0.558 45 I N 0.272 120.966 120.570 0.207 0.000 2.876 45 I HA -0.108 4.048 4.170 -0.023 0.000 0.264 45 I C 0.248 176.453 176.117 0.146 0.000 1.204 45 I CA 0.143 61.505 61.300 0.103 0.000 1.485 45 I CB -1.306 36.700 38.000 0.010 0.000 1.103 45 I HN 0.665 nan 8.210 nan 0.000 0.446 46 N N 2.240 121.069 118.700 0.216 0.000 2.293 46 N HA -0.017 4.709 4.740 -0.023 0.000 0.253 46 N C 1.416 177.036 175.510 0.183 0.000 1.248 46 N CA -0.047 53.097 53.050 0.158 0.000 0.845 46 N CB 2.019 40.564 38.487 0.097 0.000 1.073 46 N HN -0.046 nan 8.380 nan 0.000 0.464 47 V N 0.696 120.684 119.914 0.124 0.000 2.392 47 V HA -0.227 3.879 4.120 -0.023 0.000 0.249 47 V C 0.690 176.871 176.094 0.145 0.000 1.059 47 V CA 1.826 64.202 62.300 0.126 0.000 1.051 47 V CB -1.017 30.863 31.823 0.094 0.000 0.658 47 V HN 0.897 nan 8.190 nan 0.000 0.455 48 D N -3.408 117.076 120.400 0.140 0.000 2.639 48 D HA 0.281 4.907 4.640 -0.023 0.000 0.271 48 D C -2.815 173.562 176.300 0.128 0.000 1.254 48 D CA -1.547 52.540 54.000 0.145 0.000 0.810 48 D CB 1.042 41.906 40.800 0.106 0.000 1.351 48 D HN -0.175 nan 8.370 nan 0.000 0.427 49 P HA 0.126 nan 4.420 nan 0.000 0.233 49 P C 1.566 178.878 177.300 0.021 0.000 1.167 49 P CA 0.936 64.070 63.100 0.057 0.000 0.770 49 P CB 0.018 31.760 31.700 0.071 0.000 0.837 50 G N 0.469 109.290 108.800 0.035 0.000 2.532 50 G HA2 -0.296 3.650 3.960 -0.023 0.000 0.222 50 G HA3 -0.296 3.650 3.960 -0.023 0.000 0.222 50 G C 1.381 176.272 174.900 -0.014 0.000 1.102 50 G CA 1.856 46.967 45.100 0.019 0.000 0.742 50 G HN 0.380 nan 8.290 nan 0.000 0.577 51 T N -1.765 112.778 114.554 -0.019 0.000 2.983 51 T HA 0.295 4.631 4.350 -0.023 0.000 0.250 51 T C 1.421 176.085 174.700 -0.061 0.000 1.037 51 T CA -0.179 61.897 62.100 -0.040 0.000 1.142 51 T CB -0.057 68.794 68.868 -0.029 0.000 0.876 51 T HN 0.161 nan 8.240 nan 0.000 0.455 52 M N 2.854 122.405 119.600 -0.080 0.000 2.246 52 M HA 0.121 4.587 4.480 -0.023 0.000 0.327 52 M C 0.576 176.821 176.300 -0.091 0.000 1.090 52 M CA -0.046 55.190 55.300 -0.107 0.000 1.087 52 M CB 0.255 32.753 32.600 -0.171 0.000 1.587 52 M HN 0.212 nan 8.290 nan 0.000 0.444 53 S N 3.326 118.970 115.700 -0.093 0.000 2.489 53 S HA 0.286 4.742 4.470 -0.023 0.000 0.277 53 S C -1.520 172.978 174.600 -0.170 0.000 1.230 53 S CA -1.766 56.360 58.200 -0.124 0.000 1.053 53 S CB 0.744 63.896 63.200 -0.081 0.000 0.955 53 S HN 0.450 nan 8.310 nan 0.000 0.488 54 P HA -0.178 nan 4.420 nan 0.000 0.219 54 P C 1.094 178.252 177.300 -0.237 0.000 1.151 54 P CA 1.369 64.275 63.100 -0.323 0.000 0.850 54 P CB -0.132 31.177 31.700 -0.651 0.000 0.784 55 I N -1.511 118.931 120.570 -0.214 0.000 3.428 55 I HA -0.059 4.097 4.170 -0.023 0.000 0.286 55 I C 2.244 178.320 176.117 -0.068 0.000 1.287 55 I CA 0.905 62.141 61.300 -0.105 0.000 1.396 55 I CB -0.826 37.149 38.000 -0.041 0.000 1.062 55 I HN 0.114 nan 8.210 nan 0.000 0.471 56 Q N 0.034 119.801 119.800 -0.056 0.000 2.084 56 Q HA 0.001 4.327 4.340 -0.023 0.000 0.194 56 Q C 1.459 177.464 176.000 0.008 0.000 0.969 56 Q CA 1.082 56.889 55.803 0.007 0.000 0.829 56 Q CB 0.296 29.054 28.738 0.032 0.000 0.904 56 Q HN 0.609 nan 8.270 nan 0.000 0.464 57 H N -1.303 117.693 119.070 -0.123 0.000 3.058 57 H HA 0.285 4.827 4.556 -0.025 0.000 0.266 57 H C 0.532 175.812 175.328 -0.080 0.000 1.135 57 H CA 0.494 56.482 56.048 -0.101 0.000 1.174 57 H CB 1.744 31.424 29.762 -0.138 0.000 1.581 57 H HN 0.343 nan 8.280 nan 0.000 0.553 58 G N 1.921 110.698 108.800 -0.038 0.000 2.428 58 G HA2 -0.203 3.743 3.960 -0.023 0.000 0.202 58 G HA3 -0.203 3.743 3.960 -0.023 0.000 0.202 58 G C -0.367 174.492 174.900 -0.069 0.000 1.247 58 G CA -0.326 44.736 45.100 -0.064 0.000 1.020 58 G HN 0.351 nan 8.290 nan 0.000 0.529 59 E N -0.989 119.189 120.200 -0.037 0.000 2.371 59 E HA 0.500 4.836 4.350 -0.023 0.000 0.257 59 E C -0.232 176.400 176.600 0.053 0.000 1.134 59 E CA -0.647 55.761 56.400 0.013 0.000 0.919 59 E CB 1.402 31.169 29.700 0.111 0.000 1.025 59 E HN 0.620 nan 8.360 nan 0.000 0.438 60 V N 3.261 123.225 119.914 0.083 0.000 2.320 60 V HA 0.123 4.229 4.120 -0.023 0.000 0.265 60 V C -0.310 175.790 176.094 0.010 0.000 1.048 60 V CA -0.525 61.812 62.300 0.063 0.000 0.865 60 V CB -0.550 31.310 31.823 0.061 0.000 1.043 60 V HN 0.548 nan 8.190 nan 0.000 0.474 61 F N 5.511 125.329 119.950 -0.221 0.000 2.506 61 F HA 0.398 4.911 4.527 -0.023 0.000 0.351 61 F C 0.223 175.730 175.800 -0.488 0.000 1.136 61 F CA 0.217 57.895 58.000 -0.537 0.000 1.298 61 F CB 0.979 39.736 39.000 -0.405 0.000 1.145 61 F HN 0.224 nan 8.300 nan 0.000 0.593 62 V N 5.004 124.029 119.914 -1.481 0.000 2.487 62 V HA 0.335 4.441 4.120 -0.023 0.000 0.298 62 V C -0.110 175.484 176.094 -0.833 0.000 1.028 62 V CA -0.620 61.219 62.300 -0.769 0.000 0.860 62 V CB 1.799 33.390 31.823 -0.386 0.000 0.991 62 V HN 0.944 nan 8.190 nan 0.000 0.427 63 T N 0.754 115.110 114.554 -0.330 0.000 2.862 63 T HA 0.359 4.695 4.350 -0.023 0.000 0.276 63 T C 1.060 175.723 174.700 -0.062 0.000 0.974 63 T CA -0.505 61.506 62.100 -0.149 0.000 0.966 63 T CB 1.398 70.291 68.868 0.042 0.000 1.072 63 T HN 0.625 nan 8.240 nan 0.000 0.538 64 E N 0.954 121.164 120.200 0.016 0.000 2.065 64 E HA -0.214 4.122 4.350 -0.023 0.000 0.201 64 E C 1.543 178.173 176.600 0.050 0.000 1.016 64 E CA 1.668 58.095 56.400 0.045 0.000 0.818 64 E CB -0.144 29.597 29.700 0.068 0.000 0.749 64 E HN 0.805 nan 8.360 nan 0.000 0.453 65 D N -0.811 119.621 120.400 0.052 0.000 2.379 65 D HA -0.054 4.573 4.640 -0.023 0.000 0.243 65 D C 1.016 177.348 176.300 0.054 0.000 1.088 65 D CA 0.901 54.934 54.000 0.055 0.000 0.925 65 D CB -0.142 40.693 40.800 0.059 0.000 0.888 65 D HN 0.327 nan 8.370 nan 0.000 0.529 66 G N -0.158 108.671 108.800 0.047 0.000 2.160 66 G HA2 -0.159 3.787 3.960 -0.023 0.000 0.251 66 G HA3 -0.159 3.787 3.960 -0.023 0.000 0.251 66 G C 0.394 175.320 174.900 0.044 0.000 1.008 66 G CA 0.146 45.281 45.100 0.057 0.000 0.724 66 G HN 0.825 nan 8.290 nan 0.000 0.514 67 A N -0.503 122.334 122.820 0.028 0.000 2.316 67 A HA 0.736 5.042 4.320 -0.023 0.000 0.284 67 A C 0.230 177.821 177.584 0.012 0.000 1.115 67 A CA -0.230 51.829 52.037 0.037 0.000 0.812 67 A CB 0.625 19.661 19.000 0.060 0.000 1.064 67 A HN 0.443 nan 8.150 nan 0.000 0.489 68 E N 0.725 120.946 120.200 0.035 0.000 2.134 68 E HA 0.487 4.823 4.350 -0.023 0.000 0.278 68 E C 0.137 176.768 176.600 0.052 0.000 0.959 68 E CA -0.225 56.190 56.400 0.025 0.000 0.783 68 E CB 1.499 31.225 29.700 0.043 0.000 1.095 68 E HN 0.801 nan 8.360 nan 0.000 0.399 69 T N -0.576 114.011 114.554 0.055 0.000 2.716 69 T HA 0.325 4.661 4.350 -0.023 0.000 0.286 69 T C -0.358 174.394 174.700 0.086 0.000 1.052 69 T CA -1.031 61.124 62.100 0.092 0.000 1.024 69 T CB 1.132 70.071 68.868 0.120 0.000 1.349 69 T HN 0.231 nan 8.240 nan 0.000 0.525 70 D N 0.003 120.445 120.400 0.070 0.000 2.423 70 D HA 0.235 4.861 4.640 -0.023 0.000 0.238 70 D C 1.613 177.871 176.300 -0.070 0.000 1.142 70 D CA -0.161 53.858 54.000 0.032 0.000 0.884 70 D CB 0.707 41.521 40.800 0.024 0.000 1.199 70 D HN 0.560 nan 8.370 nan 0.000 0.438 71 L N 0.776 121.936 121.223 -0.106 0.000 2.191 71 L HA -0.013 4.313 4.340 -0.023 0.000 0.212 71 L C 1.347 177.872 176.870 -0.575 0.000 1.103 71 L CA 1.395 56.081 54.840 -0.256 0.000 0.769 71 L CB -0.724 41.225 42.059 -0.183 0.000 0.908 71 L HN 0.311 nan 8.230 nan 0.000 0.438 72 D N 0.476 120.565 120.400 -0.518 0.000 2.228 72 D HA -0.171 4.455 4.640 -0.023 0.000 0.203 72 D C 2.097 177.644 176.300 -1.255 0.000 0.988 72 D CA 1.333 54.880 54.000 -0.755 0.000 0.864 72 D CB -0.090 40.399 40.800 -0.519 0.000 0.928 72 D HN 0.363 nan 8.370 nan 0.000 0.469 73 L N 0.268 120.957 121.223 -0.891 0.000 2.201 73 L HA -0.020 4.306 4.340 -0.023 0.000 0.212 73 L C 2.458 178.769 176.870 -0.932 0.000 1.105 73 L CA 1.305 55.718 54.840 -0.712 0.000 0.775 73 L CB -0.827 41.123 42.059 -0.183 0.000 0.913 73 L HN 0.026 nan 8.230 nan 0.000 0.440 74 G N -1.726 106.237 108.800 -1.395 0.000 2.434 74 G HA2 -0.266 3.680 3.960 -0.023 0.000 0.214 74 G HA3 -0.266 3.680 3.960 -0.023 0.000 0.214 74 G C 1.452 176.110 174.900 -0.404 0.000 1.202 74 G CA 0.576 44.903 45.100 -1.288 0.000 0.788 74 G HN 0.367 nan 8.290 nan 0.000 0.539 75 H N 0.224 119.101 119.070 -0.322 0.000 2.325 75 H HA -0.154 4.387 4.556 -0.024 0.000 0.293 75 H C 2.440 177.854 175.328 0.143 0.000 1.106 75 H CA 1.637 57.661 56.048 -0.040 0.000 1.247 75 H CB -0.779 28.875 29.762 -0.179 0.000 1.359 75 H HN 0.437 nan 8.280 nan 0.000 0.488 76 Y N 1.155 121.499 120.300 0.073 0.000 2.097 76 Y HA -0.176 4.359 4.550 -0.025 0.000 0.282 76 Y C 2.617 178.605 175.900 0.146 0.000 1.152 76 Y CA 1.064 59.209 58.100 0.075 0.000 1.136 76 Y CB -0.948 37.509 38.460 -0.004 0.000 0.975 76 Y HN 0.327 nan 8.280 nan 0.000 0.498 77 E N 0.045 120.376 120.200 0.218 0.000 2.204 77 E HA -0.178 4.158 4.350 -0.023 0.000 0.195 77 E C 1.769 178.523 176.600 0.257 0.000 0.990 77 E CA 0.894 57.428 56.400 0.223 0.000 0.821 77 E CB -0.267 29.567 29.700 0.224 0.000 0.750 77 E HN 0.488 nan 8.360 nan 0.000 0.477 78 R N -0.599 120.084 120.500 0.306 0.000 2.319 78 R HA 0.060 4.386 4.340 -0.023 0.000 0.204 78 R C 0.631 177.078 176.300 0.246 0.000 0.954 78 R CA 0.331 56.596 56.100 0.275 0.000 1.066 78 R CB 0.210 30.692 30.300 0.302 0.000 0.991 78 R HN 0.138 nan 8.270 nan 0.000 0.486 79 F N -0.176 119.961 119.950 0.311 0.000 2.819 79 F HA 0.300 4.815 4.527 -0.021 0.000 0.325 79 F C 0.607 176.601 175.800 0.323 0.000 1.041 79 F CA -0.560 57.661 58.000 0.368 0.000 1.184 79 F CB 0.816 39.909 39.000 0.155 0.000 1.019 79 F HN -0.171 nan 8.300 nan 0.000 0.590 80 I N -2.997 117.800 120.570 0.379 0.000 2.865 80 I HA 0.465 4.621 4.170 -0.023 0.000 0.302 80 I C 0.599 176.829 176.117 0.188 0.000 1.140 80 I CA -0.866 60.586 61.300 0.253 0.000 1.021 80 I CB 2.121 40.231 38.000 0.184 0.000 1.233 80 I HN -0.180 nan 8.210 nan 0.000 0.427 81 R N 1.101 121.686 120.500 0.142 0.000 2.307 81 R HA 0.102 4.428 4.340 -0.023 0.000 0.199 81 R C 0.062 176.430 176.300 0.114 0.000 1.000 81 R CA 0.276 56.443 56.100 0.112 0.000 1.023 81 R CB -0.446 29.901 30.300 0.078 0.000 0.908 81 R HN 0.692 nan 8.270 nan 0.000 0.473 82 T N 2.086 116.710 114.554 0.118 0.000 2.930 82 T HA 0.066 4.402 4.350 -0.023 0.000 0.306 82 T C 0.401 175.180 174.700 0.131 0.000 1.045 82 T CA 0.172 62.342 62.100 0.117 0.000 1.134 82 T CB 1.027 69.954 68.868 0.099 0.000 0.961 82 T HN -0.079 nan 8.240 nan 0.000 0.545 83 K N 3.043 123.522 120.400 0.132 0.000 2.156 83 K HA 0.362 4.668 4.320 -0.023 0.000 0.271 83 K C 0.091 176.780 176.600 0.150 0.000 0.995 83 K CA -0.620 55.755 56.287 0.147 0.000 0.890 83 K CB 1.188 33.767 32.500 0.130 0.000 1.073 83 K HN 0.469 nan 8.250 nan 0.000 0.454 84 M N 1.394 121.104 119.600 0.184 0.000 2.250 84 M HA 0.146 4.612 4.480 -0.023 0.000 0.344 84 M C 0.702 177.096 176.300 0.156 0.000 1.150 84 M CA -0.026 55.384 55.300 0.183 0.000 1.147 84 M CB 0.855 33.599 32.600 0.240 0.000 1.498 84 M HN 0.708 nan 8.290 nan 0.000 0.461 85 S N 1.676 117.458 115.700 0.138 0.000 2.704 85 S HA 0.567 5.023 4.470 -0.023 0.000 0.296 85 S C 0.720 175.392 174.600 0.120 0.000 1.138 85 S CA -0.838 57.431 58.200 0.116 0.000 0.875 85 S CB 2.179 65.440 63.200 0.102 0.000 1.151 85 S HN 0.652 nan 8.310 nan 0.000 0.500 86 R N 0.777 121.339 120.500 0.103 0.000 2.154 86 R HA -0.021 4.305 4.340 -0.023 0.000 0.248 86 R C 2.003 178.382 176.300 0.133 0.000 1.155 86 R CA 1.446 57.611 56.100 0.109 0.000 0.979 86 R CB -1.157 29.195 30.300 0.087 0.000 0.869 86 R HN 0.787 nan 8.270 nan 0.000 0.452 87 R N -0.138 120.435 120.500 0.121 0.000 2.193 87 R HA -0.088 4.238 4.340 -0.023 0.000 0.229 87 R C 1.048 177.455 176.300 0.179 0.000 1.110 87 R CA 1.592 57.770 56.100 0.131 0.000 0.988 87 R CB -0.162 30.202 30.300 0.107 0.000 0.871 87 R HN 0.332 nan 8.270 nan 0.000 0.458 88 N N -0.278 118.520 118.700 0.164 0.000 2.398 88 N HA 0.003 4.729 4.740 -0.023 0.000 0.188 88 N C -0.388 175.220 175.510 0.163 0.000 1.122 88 N CA 0.216 53.360 53.050 0.156 0.000 0.866 88 N CB 0.325 38.898 38.487 0.143 0.000 0.970 88 N HN 0.169 nan 8.380 nan 0.000 0.462 89 N N 0.152 118.968 118.700 0.194 0.000 2.287 89 N HA 0.408 5.134 4.740 -0.023 0.000 0.289 89 N C -1.880 173.766 175.510 0.227 0.000 1.066 89 N CA -0.648 52.473 53.050 0.120 0.000 0.841 89 N CB 1.435 39.983 38.487 0.102 0.000 1.599 89 N HN -0.061 nan 8.380 nan 0.000 0.476 90 F N -0.496 119.458 119.950 0.008 0.000 2.688 90 F HA 0.527 5.039 4.527 -0.024 0.000 0.308 90 F C -1.017 174.785 175.800 0.004 0.000 1.117 90 F CA -0.805 57.208 58.000 0.023 0.000 0.976 90 F CB 0.984 40.013 39.000 0.049 0.000 1.291 90 F HN 0.252 nan 8.300 nan 0.000 0.439 91 T N -1.674 112.998 114.554 0.196 0.000 2.942 91 T HA 0.387 4.723 4.350 -0.023 0.000 0.289 91 T C 0.521 175.395 174.700 0.289 0.000 1.044 91 T CA -0.123 62.026 62.100 0.081 0.000 1.023 91 T CB 1.503 70.363 68.868 -0.013 0.000 1.123 91 T HN 0.753 nan 8.240 nan 0.000 0.512 92 T N 1.432 116.116 114.554 0.217 0.000 2.699 92 T HA -0.037 4.299 4.350 -0.023 0.000 0.268 92 T C 2.212 177.082 174.700 0.282 0.000 1.036 92 T CA 2.085 64.320 62.100 0.226 0.000 1.147 92 T CB -1.076 67.804 68.868 0.021 0.000 0.862 92 T HN 0.863 nan 8.240 nan 0.000 0.446 93 G N 1.457 110.363 108.800 0.176 0.000 2.545 93 G HA2 -0.342 3.604 3.960 -0.023 0.000 0.217 93 G HA3 -0.342 3.604 3.960 -0.023 0.000 0.217 93 G C 1.517 176.542 174.900 0.209 0.000 1.218 93 G CA 1.434 46.636 45.100 0.170 0.000 0.787 93 G HN 0.442 nan 8.290 nan 0.000 0.571 94 R N 0.218 120.839 120.500 0.201 0.000 2.113 94 R HA -0.127 4.199 4.340 -0.023 0.000 0.244 94 R C 2.564 178.969 176.300 0.175 0.000 1.142 94 R CA 1.653 57.862 56.100 0.182 0.000 0.953 94 R CB -0.508 29.907 30.300 0.193 0.000 0.860 94 R HN 0.364 nan 8.270 nan 0.000 0.438 95 I N -0.110 120.601 120.570 0.235 0.000 2.118 95 I HA -0.321 3.835 4.170 -0.023 0.000 0.241 95 I C 2.066 178.230 176.117 0.078 0.000 1.070 95 I CA 1.748 63.142 61.300 0.156 0.000 1.327 95 I CB -1.124 37.013 38.000 0.228 0.000 1.034 95 I HN 0.224 nan 8.210 nan 0.000 0.405 96 Y N 1.370 121.710 120.300 0.067 0.000 2.097 96 Y HA -0.283 4.251 4.550 -0.027 0.000 0.282 96 Y C 3.154 179.083 175.900 0.048 0.000 1.152 96 Y CA 2.318 60.444 58.100 0.044 0.000 1.136 96 Y CB -0.796 37.680 38.460 0.026 0.000 0.975 96 Y HN 0.252 nan 8.280 nan 0.000 0.498 97 S N -0.119 115.706 115.700 0.209 0.000 2.387 97 S HA -0.224 4.232 4.470 -0.023 0.000 0.230 97 S C 1.691 176.344 174.600 0.087 0.000 1.035 97 S CA 1.905 60.184 58.200 0.130 0.000 1.014 97 S CB -0.445 62.820 63.200 0.109 0.000 0.836 97 S HN 0.418 nan 8.310 nan 0.000 0.466 98 D N 1.198 121.640 120.400 0.071 0.000 2.084 98 D HA -0.034 4.592 4.640 -0.023 0.000 0.196 98 D C 2.249 178.583 176.300 0.057 0.000 0.985 98 D CA 1.498 55.525 54.000 0.044 0.000 0.826 98 D CB -0.869 39.942 40.800 0.018 0.000 0.978 98 D HN 0.353 nan 8.370 nan 0.000 0.456 99 V N 1.238 121.184 119.914 0.053 0.000 2.324 99 V HA -0.252 3.854 4.120 -0.023 0.000 0.250 99 V C 2.672 178.847 176.094 0.136 0.000 1.060 99 V CA 1.280 63.643 62.300 0.104 0.000 1.042 99 V CB -0.595 31.206 31.823 -0.037 0.000 0.650 99 V HN 0.200 nan 8.190 nan 0.000 0.450 100 L N 0.049 121.324 121.223 0.087 0.000 2.046 100 L HA -0.207 4.119 4.340 -0.023 0.000 0.208 100 L C 2.908 179.830 176.870 0.087 0.000 1.077 100 L CA 2.238 57.131 54.840 0.089 0.000 0.747 100 L CB -0.546 41.569 42.059 0.095 0.000 0.896 100 L HN 0.467 nan 8.230 nan 0.000 0.432 101 R N 0.041 120.584 120.500 0.071 0.000 2.062 101 R HA -0.151 4.175 4.340 -0.023 0.000 0.231 101 R C 2.175 178.500 176.300 0.043 0.000 1.136 101 R CA 0.990 57.118 56.100 0.047 0.000 0.948 101 R CB -0.594 29.724 30.300 0.031 0.000 0.845 101 R HN 0.135 nan 8.270 nan 0.000 0.430 102 K N 0.705 121.129 120.400 0.040 0.000 2.015 102 K HA -0.273 4.033 4.320 -0.023 0.000 0.220 102 K C 2.265 178.875 176.600 0.017 0.000 1.055 102 K CA 2.223 58.489 56.287 -0.035 0.000 0.951 102 K CB -0.311 32.126 32.500 -0.106 0.000 0.725 102 K HN 0.365 nan 8.250 nan 0.000 0.449 103 E N 0.747 121.103 120.200 0.260 0.000 2.049 103 E HA -0.247 4.089 4.350 -0.023 0.000 0.198 103 E C 2.040 178.715 176.600 0.125 0.000 1.007 103 E CA 1.273 57.866 56.400 0.322 0.000 0.809 103 E CB 0.024 29.861 29.700 0.228 0.000 0.749 103 E HN 0.115 nan 8.360 nan 0.000 0.450 104 R N 0.498 121.048 120.500 0.083 0.000 2.170 104 R HA -0.176 4.150 4.340 -0.023 0.000 0.242 104 R C 2.278 178.594 176.300 0.028 0.000 1.145 104 R CA 1.851 57.979 56.100 0.046 0.000 0.984 104 R CB -0.619 29.703 30.300 0.037 0.000 0.869 104 R HN 0.340 nan 8.270 nan 0.000 0.455 105 R N -1.276 119.234 120.500 0.017 0.000 2.393 105 R HA 0.227 4.553 4.340 -0.023 0.000 0.244 105 R C 0.619 176.911 176.300 -0.013 0.000 0.920 105 R CA 0.674 56.772 56.100 -0.003 0.000 1.076 105 R CB -0.051 30.241 30.300 -0.015 0.000 1.119 105 R HN 0.042 nan 8.270 nan 0.000 0.524 106 G N 1.368 110.169 108.800 0.003 0.000 2.291 106 G HA2 -0.203 3.743 3.960 -0.023 0.000 0.271 106 G HA3 -0.203 3.743 3.960 -0.023 0.000 0.271 106 G C -0.480 174.382 174.900 -0.065 0.000 1.099 106 G CA 0.195 45.295 45.100 0.000 0.000 0.919 106 G HN 0.423 nan 8.290 nan 0.000 0.496 107 D N -0.915 119.374 120.400 -0.186 0.000 2.349 107 D HA 0.116 4.742 4.640 -0.023 0.000 0.215 107 D C 1.462 177.538 176.300 -0.375 0.000 1.016 107 D CA 0.537 54.341 54.000 -0.326 0.000 0.870 107 D CB 0.001 40.525 40.800 -0.459 0.000 0.917 107 D HN 0.627 nan 8.370 nan 0.000 0.524 108 Y N 0.283 120.563 120.300 -0.033 0.000 2.457 108 Y HA 0.273 4.810 4.550 -0.021 0.000 0.263 108 Y C 0.642 176.523 175.900 -0.032 0.000 1.164 108 Y CA -0.335 57.740 58.100 -0.041 0.000 1.274 108 Y CB -0.318 38.073 38.460 -0.115 0.000 1.097 108 Y HN -0.206 nan 8.280 nan 0.000 0.523 109 L N -0.027 121.243 121.223 0.077 0.000 3.713 109 L HA -0.285 4.041 4.340 -0.023 0.000 0.499 109 L C 1.181 178.080 176.870 0.048 0.000 1.281 109 L CA 0.682 55.550 54.840 0.047 0.000 0.796 109 L CB -2.142 39.937 42.059 0.033 0.000 1.535 109 L HN 0.528 nan 8.230 nan 0.000 0.851 110 G N -1.134 107.693 108.800 0.045 0.000 2.187 110 G HA2 -0.122 3.825 3.960 -0.023 0.000 0.261 110 G HA3 -0.122 3.825 3.960 -0.023 0.000 0.261 110 G C 0.515 175.421 174.900 0.011 0.000 1.000 110 G CA 0.565 45.679 45.100 0.022 0.000 0.718 110 G HN 1.518 nan 8.290 nan 0.000 0.519 111 A N -0.501 122.330 122.820 0.019 0.000 2.304 111 A HA 0.747 5.054 4.320 -0.023 0.000 0.271 111 A C 0.772 178.287 177.584 -0.114 0.000 1.091 111 A CA 0.633 52.659 52.037 -0.019 0.000 0.812 111 A CB 0.542 19.553 19.000 0.020 0.000 1.056 111 A HN 0.717 nan 8.150 nan 0.000 0.489 112 T N 1.634 116.123 114.554 -0.109 0.000 2.779 112 T HA 0.355 4.691 4.350 -0.023 0.000 0.296 112 T C 0.030 174.535 174.700 -0.326 0.000 0.938 112 T CA -0.073 61.938 62.100 -0.148 0.000 1.119 112 T CB 0.272 69.099 68.868 -0.068 0.000 0.891 112 T HN 0.375 nan 8.240 nan 0.000 0.526 113 V N 5.738 125.381 119.914 -0.452 0.000 2.432 113 V HA 0.230 4.336 4.120 -0.023 0.000 0.271 113 V C 0.301 176.209 176.094 -0.309 0.000 1.046 113 V CA -0.297 61.545 62.300 -0.764 0.000 0.945 113 V CB 0.636 31.968 31.823 -0.817 0.000 0.992 113 V HN 0.852 nan 8.190 nan 0.000 0.471 114 Q N 3.110 122.896 119.800 -0.024 0.000 2.378 114 Q HA 0.520 4.846 4.340 -0.023 0.000 0.276 114 Q C 0.754 176.781 176.000 0.044 0.000 1.083 114 Q CA -0.993 54.845 55.803 0.058 0.000 0.856 114 Q CB 1.903 30.696 28.738 0.092 0.000 1.383 114 Q HN 0.278 nan 8.270 nan 0.000 0.458 115 V N 0.288 120.210 119.914 0.013 0.000 2.255 115 V HA -0.141 3.965 4.120 -0.023 0.000 0.247 115 V C 0.774 176.854 176.094 -0.024 0.000 1.051 115 V CA 1.586 63.883 62.300 -0.005 0.000 1.018 115 V CB -0.114 31.720 31.823 0.018 0.000 0.641 115 V HN 0.552 nan 8.190 nan 0.000 0.445 116 I N 1.260 121.817 120.570 -0.021 0.000 2.355 116 I HA 0.264 4.420 4.170 -0.023 0.000 0.288 116 I C -1.825 174.244 176.117 -0.081 0.000 0.999 116 I CA -1.475 59.793 61.300 -0.054 0.000 1.163 116 I CB 1.921 39.897 38.000 -0.039 0.000 1.316 116 I HN 0.158 nan 8.210 nan 0.000 0.454 117 P HA 0.127 nan 4.420 nan 0.000 0.251 117 P C 1.068 178.201 177.300 -0.279 0.000 1.198 117 P CA 0.667 63.618 63.100 -0.250 0.000 0.847 117 P CB 0.331 31.846 31.700 -0.309 0.000 1.082 118 H N 0.708 119.724 119.070 -0.089 0.000 2.260 118 H HA -0.181 4.360 4.556 -0.024 0.000 0.288 118 H C 2.006 177.265 175.328 -0.115 0.000 1.094 118 H CA 1.908 57.883 56.048 -0.121 0.000 1.197 118 H CB -0.887 28.703 29.762 -0.287 0.000 1.346 118 H HN 0.001 nan 8.280 nan 0.000 0.486 119 I N 0.689 121.228 120.570 -0.052 0.000 2.179 119 I HA -0.236 3.920 4.170 -0.023 0.000 0.242 119 I C 2.618 178.698 176.117 -0.061 0.000 1.088 119 I CA 1.912 63.134 61.300 -0.131 0.000 1.357 119 I CB -1.378 36.492 38.000 -0.217 0.000 1.051 119 I HN 0.519 nan 8.210 nan 0.000 0.409 120 T N 0.124 114.650 114.554 -0.046 0.000 2.665 120 T HA -0.206 4.130 4.350 -0.023 0.000 0.268 120 T C 1.718 176.416 174.700 -0.004 0.000 1.035 120 T CA 1.662 63.756 62.100 -0.011 0.000 1.151 120 T CB -0.752 68.104 68.868 -0.020 0.000 0.862 120 T HN 0.172 nan 8.240 nan 0.000 0.438 121 N N 2.538 121.217 118.700 -0.034 0.000 2.094 121 N HA -0.036 4.690 4.740 -0.023 0.000 0.191 121 N C 2.197 177.704 175.510 -0.006 0.000 1.023 121 N CA 1.700 54.735 53.050 -0.024 0.000 0.857 121 N CB -0.961 37.504 38.487 -0.037 0.000 1.013 121 N HN 0.653 nan 8.380 nan 0.000 0.426 122 A N 0.557 123.376 122.820 -0.001 0.000 1.933 122 A HA -0.057 4.249 4.320 -0.023 0.000 0.218 122 A C 2.325 179.890 177.584 -0.032 0.000 1.175 122 A CA 0.926 52.953 52.037 -0.017 0.000 0.628 122 A CB -0.632 18.355 19.000 -0.023 0.000 0.814 122 A HN 0.236 nan 8.150 nan 0.000 0.444 123 I N -0.384 120.212 120.570 0.043 0.000 2.179 123 I HA -0.274 3.882 4.170 -0.023 0.000 0.242 123 I C 2.461 178.627 176.117 0.081 0.000 1.088 123 I CA 1.574 62.962 61.300 0.146 0.000 1.357 123 I CB -0.222 37.967 38.000 0.315 0.000 1.051 123 I HN 0.257 nan 8.210 nan 0.000 0.409 124 K N 0.620 121.049 120.400 0.049 0.000 2.063 124 K HA -0.229 4.077 4.320 -0.023 0.000 0.208 124 K C 1.967 178.562 176.600 -0.009 0.000 1.048 124 K CA 1.719 58.016 56.287 0.017 0.000 0.928 124 K CB -0.256 32.240 32.500 -0.006 0.000 0.713 124 K HN 0.438 nan 8.250 nan 0.000 0.442 125 E N 0.583 120.764 120.200 -0.031 0.000 2.038 125 E HA -0.201 4.135 4.350 -0.023 0.000 0.195 125 E C 2.141 178.699 176.600 -0.071 0.000 1.000 125 E CA 1.159 57.532 56.400 -0.045 0.000 0.803 125 E CB -0.126 29.543 29.700 -0.051 0.000 0.750 125 E HN 0.254 nan 8.360 nan 0.000 0.448 126 R N 0.634 121.034 120.500 -0.166 0.000 2.091 126 R HA -0.122 4.204 4.340 -0.023 0.000 0.238 126 R C 2.516 178.788 176.300 -0.046 0.000 1.136 126 R CA 1.252 57.189 56.100 -0.271 0.000 0.959 126 R CB -0.544 29.226 30.300 -0.884 0.000 0.856 126 R HN 0.078 nan 8.270 nan 0.000 0.437 127 V N 1.896 121.849 119.914 0.065 0.000 2.295 127 V HA -0.251 3.856 4.120 -0.023 0.000 0.246 127 V C 2.412 178.590 176.094 0.141 0.000 1.049 127 V CA 1.776 64.175 62.300 0.165 0.000 1.024 127 V CB -0.508 31.404 31.823 0.148 0.000 0.648 127 V HN 0.259 nan 8.190 nan 0.000 0.447 128 L N -0.248 121.023 121.223 0.079 0.000 2.012 128 L HA -0.245 4.081 4.340 -0.023 0.000 0.210 128 L C 2.575 179.520 176.870 0.124 0.000 1.073 128 L CA 1.930 56.846 54.840 0.126 0.000 0.748 128 L CB -0.890 41.210 42.059 0.069 0.000 0.891 128 L HN 0.392 nan 8.230 nan 0.000 0.431 129 E N 0.177 120.418 120.200 0.068 0.000 2.130 129 E HA -0.220 4.117 4.350 -0.023 0.000 0.196 129 E C 2.232 178.888 176.600 0.094 0.000 0.998 129 E CA 1.207 57.641 56.400 0.057 0.000 0.806 129 E CB -0.390 29.317 29.700 0.012 0.000 0.738 129 E HN 0.630 nan 8.360 nan 0.000 0.459 130 G N 0.686 109.558 108.800 0.120 0.000 2.421 130 G HA2 -0.162 3.784 3.960 -0.023 0.000 0.217 130 G HA3 -0.162 3.784 3.960 -0.023 0.000 0.217 130 G C 1.538 176.521 174.900 0.139 0.000 1.143 130 G CA 0.627 45.805 45.100 0.130 0.000 0.784 130 G HN 0.365 nan 8.290 nan 0.000 0.541 131 G N 0.217 109.127 108.800 0.183 0.000 2.421 131 G HA2 -0.121 3.825 3.960 -0.023 0.000 0.216 131 G HA3 -0.121 3.825 3.960 -0.023 0.000 0.216 131 G C 0.748 175.763 174.900 0.190 0.000 1.171 131 G CA 0.313 45.506 45.100 0.155 0.000 0.775 131 G HN 0.347 nan 8.290 nan 0.000 0.543 132 E N 1.210 121.493 120.200 0.139 0.000 2.249 132 E HA -0.082 4.254 4.350 -0.023 0.000 0.335 132 E C 1.079 177.670 176.600 -0.016 0.000 0.669 132 E CA 1.069 57.508 56.400 0.066 0.000 1.245 132 E CB -1.012 28.719 29.700 0.052 0.000 0.550 132 E HN 0.803 nan 8.360 nan 0.000 0.426 133 G N 4.525 113.265 108.800 -0.099 0.000 2.392 133 G HA2 -0.236 3.710 3.960 -0.023 0.000 0.290 133 G HA3 -0.236 3.710 3.960 -0.023 0.000 0.290 133 G C -0.403 174.196 174.900 -0.501 0.000 1.032 133 G CA 0.555 45.515 45.100 -0.233 0.000 1.269 133 G HN 0.703 nan 8.290 nan 0.000 0.511 134 H N -0.546 118.454 119.070 -0.117 0.000 3.079 134 H HA 0.201 4.744 4.556 -0.023 0.000 0.356 134 H C 0.311 175.528 175.328 -0.185 0.000 1.221 134 H CA -0.554 55.414 56.048 -0.134 0.000 1.185 134 H CB 1.661 31.335 29.762 -0.145 0.000 1.882 134 H HN 0.218 nan 8.280 nan 0.000 0.543 135 D N 0.730 121.118 120.400 -0.021 0.000 2.162 135 D HA 0.016 4.642 4.640 -0.023 0.000 0.203 135 D C 0.449 176.624 176.300 -0.209 0.000 0.967 135 D CA 1.134 55.070 54.000 -0.107 0.000 0.840 135 D CB 0.971 41.738 40.800 -0.055 0.000 0.972 135 D HN 0.022 nan 8.370 nan 0.000 0.482 136 V N 1.354 121.163 119.914 -0.175 0.000 2.623 136 V HA 0.274 4.380 4.120 -0.023 0.000 0.304 136 V C -0.397 175.528 176.094 -0.281 0.000 1.054 136 V CA -0.831 61.312 62.300 -0.262 0.000 0.882 136 V CB 2.757 34.499 31.823 -0.134 0.000 1.002 136 V HN -0.227 nan 8.190 nan 0.000 0.424 137 V N 5.536 125.219 119.914 -0.385 0.000 2.448 137 V HA 0.552 4.658 4.120 -0.023 0.000 0.295 137 V C -0.585 175.352 176.094 -0.260 0.000 1.025 137 V CA -0.663 61.445 62.300 -0.320 0.000 0.859 137 V CB 1.606 33.265 31.823 -0.273 0.000 0.988 137 V HN 0.624 nan 8.190 nan 0.000 0.431 138 L N 5.309 126.387 121.223 -0.241 0.000 2.272 138 L HA 0.536 4.862 4.340 -0.023 0.000 0.289 138 L C -0.169 176.582 176.870 -0.200 0.000 1.032 138 L CA -0.002 54.705 54.840 -0.222 0.000 0.810 138 L CB 1.766 43.687 42.059 -0.229 0.000 1.205 138 L HN 0.482 nan 8.230 nan 0.000 0.422 139 V N 3.067 122.894 119.914 -0.144 0.000 2.313 139 V HA 0.272 4.378 4.120 -0.023 0.000 0.278 139 V C 0.170 176.254 176.094 -0.017 0.000 1.017 139 V CA -0.766 61.503 62.300 -0.052 0.000 0.823 139 V CB 1.194 33.069 31.823 0.086 0.000 1.010 139 V HN 0.718 nan 8.190 nan 0.000 0.443 140 E N 5.406 125.569 120.200 -0.062 0.000 2.152 140 E HA 0.264 4.601 4.350 -0.023 0.000 0.285 140 E C -0.746 175.806 176.600 -0.079 0.000 1.043 140 E CA -0.724 55.662 56.400 -0.023 0.000 0.839 140 E CB 0.689 30.413 29.700 0.040 0.000 1.069 140 E HN 0.482 nan 8.360 nan 0.000 0.399 141 I N 4.514 125.067 120.570 -0.028 0.000 2.352 141 I HA 0.220 4.376 4.170 -0.023 0.000 0.290 141 I C 1.021 177.131 176.117 -0.011 0.000 1.036 141 I CA -0.226 61.027 61.300 -0.078 0.000 1.336 141 I CB 0.373 38.394 38.000 0.036 0.000 1.407 141 I HN 0.545 nan 8.210 nan 0.000 0.497 142 G N 3.614 112.387 108.800 -0.046 0.000 2.503 142 G HA2 0.561 4.507 3.960 -0.023 0.000 0.257 142 G HA3 0.561 4.507 3.960 -0.023 0.000 0.257 142 G C 0.261 175.230 174.900 0.116 0.000 1.214 142 G CA 0.322 45.446 45.100 0.040 0.000 0.839 142 G HN 1.096 nan 8.290 nan 0.000 0.559 143 G N -0.696 108.174 108.800 0.118 0.000 2.631 143 G HA2 0.174 4.120 3.960 -0.023 0.000 0.504 143 G HA3 0.174 4.120 3.960 -0.023 0.000 0.504 143 G C -0.304 174.662 174.900 0.109 0.000 1.306 143 G CA -0.191 44.984 45.100 0.126 0.000 0.897 143 G HN 1.083 nan 8.290 nan 0.000 0.520 144 T N 0.453 115.069 114.554 0.102 0.000 2.794 144 T HA 0.534 4.870 4.350 -0.023 0.000 0.280 144 T C 0.688 175.455 174.700 0.111 0.000 0.987 144 T CA -0.197 61.962 62.100 0.098 0.000 0.993 144 T CB 1.652 70.567 68.868 0.078 0.000 0.939 144 T HN 1.015 nan 8.240 nan 0.000 0.449 145 V N 3.691 123.693 119.914 0.146 0.000 2.557 145 V HA 0.358 4.464 4.120 -0.023 0.000 0.301 145 V C 1.540 177.693 176.094 0.098 0.000 1.026 145 V CA 1.756 64.138 62.300 0.138 0.000 1.137 145 V CB 0.167 32.109 31.823 0.198 0.000 0.917 145 V HN 1.283 nan 8.190 nan 0.000 0.484 146 G N 3.820 112.659 108.800 0.066 0.000 2.352 146 G HA2 -0.155 3.791 3.960 -0.023 0.000 0.204 146 G HA3 -0.155 3.791 3.960 -0.023 0.000 0.204 146 G C -0.003 174.921 174.900 0.039 0.000 1.004 146 G CA -0.061 45.067 45.100 0.047 0.000 0.648 146 G HN 0.630 nan 8.290 nan 0.000 0.491 147 D N 0.056 120.486 120.400 0.049 0.000 2.398 147 D HA 0.487 5.113 4.640 -0.023 0.000 0.247 147 D C 2.081 178.398 176.300 0.027 0.000 1.227 147 D CA 0.244 54.267 54.000 0.039 0.000 0.980 147 D CB 0.667 41.497 40.800 0.049 0.000 1.106 147 D HN 0.485 nan 8.370 nan 0.000 0.493 148 I N -2.213 118.366 120.570 0.014 0.000 3.462 148 I HA 0.034 4.190 4.170 -0.023 0.000 0.290 148 I C 1.471 177.575 176.117 -0.021 0.000 1.236 148 I CA 0.208 61.506 61.300 -0.003 0.000 1.418 148 I CB -0.220 37.774 38.000 -0.010 0.000 1.102 148 I HN 0.305 nan 8.210 nan 0.000 0.441 149 E N 2.283 122.475 120.200 -0.014 0.000 2.333 149 E HA -0.147 4.189 4.350 -0.023 0.000 0.198 149 E C 1.535 178.079 176.600 -0.094 0.000 1.007 149 E CA 1.376 57.748 56.400 -0.048 0.000 0.845 149 E CB -0.324 29.370 29.700 -0.011 0.000 0.766 149 E HN 0.658 nan 8.360 nan 0.000 0.507 150 S N 0.054 115.745 115.700 -0.016 0.000 2.539 150 S HA 0.235 4.691 4.470 -0.023 0.000 0.221 150 S C 1.670 176.287 174.600 0.029 0.000 0.987 150 S CA -0.507 57.713 58.200 0.033 0.000 0.929 150 S CB -0.130 63.213 63.200 0.238 0.000 0.832 150 S HN 0.136 nan 8.310 nan 0.000 0.492 151 L N 1.488 122.700 121.223 -0.018 0.000 2.021 151 L HA -0.079 4.247 4.340 -0.023 0.000 0.215 151 L C -0.622 176.242 176.870 -0.009 0.000 1.074 151 L CA 1.683 56.519 54.840 -0.006 0.000 0.760 151 L CB -1.838 40.209 42.059 -0.019 0.000 0.889 151 L HN 0.273 nan 8.230 nan 0.000 0.433 152 P HA -0.158 nan 4.420 nan 0.000 0.215 152 P C 1.624 178.963 177.300 0.065 0.000 1.157 152 P CA 1.365 64.436 63.100 -0.048 0.000 0.863 152 P CB -0.117 31.515 31.700 -0.113 0.000 0.787 153 F N -0.365 119.610 119.950 0.042 0.000 2.091 153 F HA -0.172 4.341 4.527 -0.024 0.000 0.299 153 F C 2.394 178.196 175.800 0.004 0.000 1.103 153 F CA 0.969 58.991 58.000 0.037 0.000 1.228 153 F CB -1.827 37.190 39.000 0.028 0.000 0.984 153 F HN -0.193 nan 8.300 nan 0.000 0.477 154 L N -0.558 120.800 121.223 0.224 0.000 2.017 154 L HA -0.210 4.116 4.340 -0.023 0.000 0.208 154 L C 2.450 179.336 176.870 0.027 0.000 1.073 154 L CA 1.774 56.672 54.840 0.097 0.000 0.745 154 L CB -0.879 41.221 42.059 0.067 0.000 0.894 154 L HN 0.055 nan 8.230 nan 0.000 0.432 155 E N 0.789 121.003 120.200 0.025 0.000 2.058 155 E HA -0.244 4.092 4.350 -0.023 0.000 0.194 155 E C 2.080 178.675 176.600 -0.009 0.000 0.997 155 E CA 1.706 58.102 56.400 -0.006 0.000 0.801 155 E CB -0.238 29.457 29.700 -0.007 0.000 0.746 155 E HN 0.358 nan 8.360 nan 0.000 0.450 156 A N 1.454 124.290 122.820 0.027 0.000 1.859 156 A HA -0.238 4.068 4.320 -0.023 0.000 0.218 156 A C 2.491 180.045 177.584 -0.050 0.000 1.209 156 A CA 2.577 54.627 52.037 0.022 0.000 0.639 156 A CB -1.383 17.682 19.000 0.108 0.000 0.835 156 A HN 0.595 nan 8.150 nan 0.000 0.450 157 I N -2.402 118.103 120.570 -0.109 0.000 2.264 157 I HA -0.270 3.886 4.170 -0.023 0.000 0.248 157 I C 2.416 178.365 176.117 -0.279 0.000 1.111 157 I CA 2.273 63.337 61.300 -0.393 0.000 1.382 157 I CB -0.480 37.063 38.000 -0.761 0.000 1.060 157 I HN 0.363 nan 8.210 nan 0.000 0.418 158 R N 0.943 121.382 120.500 -0.101 0.000 2.091 158 R HA -0.226 4.100 4.340 -0.023 0.000 0.238 158 R C 2.384 178.676 176.300 -0.015 0.000 1.136 158 R CA 2.294 58.376 56.100 -0.030 0.000 0.959 158 R CB -0.301 29.958 30.300 -0.067 0.000 0.856 158 R HN 0.596 nan 8.270 nan 0.000 0.437 159 Q N -0.235 119.543 119.800 -0.038 0.000 2.030 159 Q HA -0.197 4.129 4.340 -0.023 0.000 0.204 159 Q C 2.333 178.325 176.000 -0.012 0.000 0.986 159 Q CA 2.047 57.837 55.803 -0.022 0.000 0.843 159 Q CB -0.137 28.584 28.738 -0.028 0.000 0.904 159 Q HN 0.405 nan 8.270 nan 0.000 0.420 160 M N 0.108 119.680 119.600 -0.047 0.000 2.082 160 M HA -0.246 4.220 4.480 -0.023 0.000 0.258 160 M C 2.431 178.759 176.300 0.047 0.000 1.069 160 M CA 1.636 56.916 55.300 -0.034 0.000 1.102 160 M CB -0.606 31.941 32.600 -0.089 0.000 1.336 160 M HN 0.310 nan 8.290 nan 0.000 0.404 161 A N -0.060 122.807 122.820 0.078 0.000 1.892 161 A HA -0.139 4.167 4.320 -0.023 0.000 0.218 161 A C 2.236 179.919 177.584 0.165 0.000 1.188 161 A CA 2.017 54.182 52.037 0.213 0.000 0.631 161 A CB -1.091 18.139 19.000 0.385 0.000 0.822 161 A HN 0.337 nan 8.150 nan 0.000 0.447 162 V N 0.067 120.046 119.914 0.108 0.000 2.295 162 V HA -0.305 3.801 4.120 -0.023 0.000 0.246 162 V C 2.421 178.559 176.094 0.074 0.000 1.049 162 V CA 2.466 64.814 62.300 0.080 0.000 1.024 162 V CB -1.003 30.847 31.823 0.045 0.000 0.648 162 V HN 0.693 nan 8.190 nan 0.000 0.447 163 E N 0.089 120.324 120.200 0.058 0.000 2.001 163 E HA -0.227 4.109 4.350 -0.023 0.000 0.195 163 E C 2.089 178.737 176.600 0.079 0.000 1.002 163 E CA 1.663 58.094 56.400 0.052 0.000 0.819 163 E CB -0.355 29.363 29.700 0.029 0.000 0.769 163 E HN 0.430 nan 8.360 nan 0.000 0.454 164 I N 0.306 120.936 120.570 0.099 0.000 2.315 164 I HA -0.137 4.019 4.170 -0.023 0.000 0.251 164 I C 1.158 177.386 176.117 0.184 0.000 1.125 164 I CA 1.528 62.916 61.300 0.146 0.000 1.392 164 I CB -0.910 37.206 38.000 0.193 0.000 1.065 164 I HN 0.316 nan 8.210 nan 0.000 0.424 165 G N 0.296 109.197 108.800 0.168 0.000 2.721 165 G HA2 -0.241 3.705 3.960 -0.023 0.000 0.686 165 G HA3 -0.241 3.705 3.960 -0.023 0.000 0.686 165 G C 0.651 175.664 174.900 0.188 0.000 1.236 165 G CA -0.089 45.107 45.100 0.161 0.000 0.786 165 G HN 0.534 nan 8.290 nan 0.000 0.616 166 R N -0.080 120.513 120.500 0.155 0.000 2.339 166 R HA 0.060 4.386 4.340 -0.023 0.000 0.199 166 R C 1.187 177.552 176.300 0.108 0.000 1.018 166 R CA 1.799 57.997 56.100 0.163 0.000 1.036 166 R CB -0.052 30.334 30.300 0.144 0.000 0.899 166 R HN 0.533 nan 8.270 nan 0.000 0.473 167 E N -0.009 120.207 120.200 0.026 0.000 2.442 167 E HA 0.001 4.337 4.350 -0.023 0.000 0.195 167 E C 0.318 176.657 176.600 -0.436 0.000 1.030 167 E CA 0.602 56.887 56.400 -0.191 0.000 0.869 167 E CB 0.283 29.816 29.700 -0.278 0.000 0.857 167 E HN 0.507 nan 8.360 nan 0.000 0.505 168 H N -0.668 118.533 119.070 0.219 0.000 2.750 168 H HA 0.252 4.794 4.556 -0.024 0.000 0.252 168 H C -0.300 175.074 175.328 0.076 0.000 1.176 168 H CA 0.327 56.398 56.048 0.038 0.000 0.987 168 H CB 0.552 30.289 29.762 -0.041 0.000 1.810 168 H HN 0.091 nan 8.280 nan 0.000 0.630 169 T N -0.848 113.969 114.554 0.437 0.000 2.923 169 T HA 0.689 5.025 4.350 -0.023 0.000 0.311 169 T C -0.653 174.253 174.700 0.344 0.000 1.183 169 T CA -0.741 61.570 62.100 0.353 0.000 1.020 169 T CB 2.473 71.543 68.868 0.337 0.000 1.165 169 T HN 0.032 nan 8.240 nan 0.000 0.482 170 L N 1.334 122.654 121.223 0.162 0.000 2.424 170 L HA 0.679 5.005 4.340 -0.023 0.000 0.258 170 L C -1.506 175.283 176.870 -0.135 0.000 0.995 170 L CA -1.092 53.800 54.840 0.088 0.000 0.821 170 L CB 2.526 44.635 42.059 0.082 0.000 1.383 170 L HN 0.689 nan 8.230 nan 0.000 0.410 171 F N 2.513 122.606 119.950 0.240 0.000 2.347 171 F HA 0.489 5.008 4.527 -0.014 0.000 0.366 171 F C 0.148 176.039 175.800 0.151 0.000 1.107 171 F CA -0.241 57.894 58.000 0.225 0.000 1.058 171 F CB 1.612 40.706 39.000 0.158 0.000 1.236 171 F HN 0.235 nan 8.300 nan 0.000 0.456 172 M N 4.741 124.505 119.600 0.273 0.000 2.101 172 M HA 0.332 4.798 4.480 -0.023 0.000 0.340 172 M C -1.567 174.876 176.300 0.238 0.000 1.057 172 M CA -0.522 54.888 55.300 0.183 0.000 0.984 172 M CB 0.554 33.206 32.600 0.086 0.000 1.560 172 M HN 0.634 nan 8.290 nan 0.000 0.435 173 H N 4.022 123.144 119.070 0.088 0.000 2.505 173 H HA 0.524 5.067 4.556 -0.021 0.000 0.338 173 H C -1.759 173.592 175.328 0.037 0.000 1.057 173 H CA -0.391 55.703 56.048 0.077 0.000 1.202 173 H CB 1.143 30.951 29.762 0.076 0.000 1.466 173 H HN 0.650 nan 8.280 nan 0.000 0.499 174 L N 4.049 125.094 121.223 -0.298 0.000 2.305 174 L HA 0.427 4.753 4.340 -0.023 0.000 0.281 174 L C 0.482 177.117 176.870 -0.392 0.000 1.085 174 L CA 0.242 54.930 54.840 -0.254 0.000 0.813 174 L CB 1.582 43.545 42.059 -0.160 0.000 1.157 174 L HN 0.725 nan 8.230 nan 0.000 0.436 175 T N 2.900 117.337 114.554 -0.195 0.000 2.883 175 T HA 0.588 4.925 4.350 -0.023 0.000 0.296 175 T C -1.439 173.232 174.700 -0.048 0.000 1.117 175 T CA -0.587 61.440 62.100 -0.122 0.000 1.006 175 T CB 1.097 69.957 68.868 -0.013 0.000 1.191 175 T HN 0.345 nan 8.240 nan 0.000 0.508 176 L N 3.645 124.859 121.223 -0.017 0.000 2.289 176 L HA 0.745 5.071 4.340 -0.023 0.000 0.285 176 L C -0.934 175.946 176.870 0.016 0.000 1.049 176 L CA -0.184 54.655 54.840 -0.002 0.000 0.804 176 L CB 1.343 43.403 42.059 0.001 0.000 1.195 176 L HN 0.442 nan 8.230 nan 0.000 0.428 177 V N 7.044 126.969 119.914 0.019 0.000 2.315 177 V HA 0.345 4.451 4.120 -0.023 0.000 0.265 177 V C -2.158 173.963 176.094 0.044 0.000 1.019 177 V CA -1.320 60.999 62.300 0.032 0.000 0.824 177 V CB 0.759 32.605 31.823 0.038 0.000 1.072 177 V HN 0.708 nan 8.190 nan 0.000 0.448 178 P HA 0.047 nan 4.420 nan 0.000 0.269 178 P C -1.046 176.302 177.300 0.080 0.000 1.215 178 P CA 0.043 63.172 63.100 0.048 0.000 0.780 178 P CB 0.598 32.304 31.700 0.010 0.000 0.898 179 Y N 2.638 122.931 120.300 -0.012 0.000 2.331 179 Y HA 0.439 4.975 4.550 -0.023 0.000 0.338 179 Y C -0.426 175.467 175.900 -0.012 0.000 0.976 179 Y CA -1.098 56.995 58.100 -0.011 0.000 1.137 179 Y CB 0.983 39.437 38.460 -0.010 0.000 1.172 179 Y HN 0.144 nan 8.280 nan 0.000 0.478 180 M N 6.957 126.081 119.600 -0.794 0.000 2.261 180 M HA 0.289 4.755 4.480 -0.023 0.000 0.349 180 M C 1.182 176.989 176.300 -0.821 0.000 1.305 180 M CA -0.310 54.639 55.300 -0.585 0.000 1.240 180 M CB -0.022 32.374 32.600 -0.339 0.000 1.394 180 M HN 0.964 nan 8.290 nan 0.000 0.438 181 A N 3.540 126.058 122.820 -0.504 0.000 1.903 181 A HA -0.189 4.117 4.320 -0.023 0.000 0.219 181 A C 2.153 179.657 177.584 -0.134 0.000 1.191 181 A CA 2.504 54.435 52.037 -0.177 0.000 0.638 181 A CB -0.627 18.410 19.000 0.062 0.000 0.823 181 A HN 0.798 nan 8.150 nan 0.000 0.451 182 A N -0.124 122.618 122.820 -0.130 0.000 1.845 182 A HA -0.096 4.210 4.320 -0.023 0.000 0.215 182 A C 2.555 180.083 177.584 -0.093 0.000 1.195 182 A CA 2.642 54.630 52.037 -0.081 0.000 0.616 182 A CB -1.192 17.768 19.000 -0.066 0.000 0.832 182 A HN 1.220 nan 8.150 nan 0.000 0.443 183 S N -0.903 114.714 115.700 -0.138 0.000 2.474 183 S HA 0.244 4.700 4.470 -0.023 0.000 0.235 183 S C 1.480 176.011 174.600 -0.115 0.000 0.997 183 S CA 1.357 59.487 58.200 -0.117 0.000 0.949 183 S CB -0.860 62.265 63.200 -0.125 0.000 0.766 183 S HN 2.136 nan 8.310 nan 0.000 0.517 184 G N 1.183 109.872 108.800 -0.185 0.000 2.221 184 G HA2 -0.249 3.697 3.960 -0.023 0.000 0.265 184 G HA3 -0.249 3.697 3.960 -0.023 0.000 0.265 184 G C -0.271 174.618 174.900 -0.018 0.000 1.041 184 G CA 0.541 45.608 45.100 -0.054 0.000 0.807 184 G HN 1.008 nan 8.290 nan 0.000 0.502 185 E N -2.046 118.006 120.200 -0.247 0.000 2.433 185 E HA 0.701 5.037 4.350 -0.023 0.000 0.278 185 E C -0.083 176.456 176.600 -0.103 0.000 0.976 185 E CA -0.942 55.425 56.400 -0.055 0.000 0.793 185 E CB 1.834 31.524 29.700 -0.018 0.000 1.311 185 E HN 0.828 nan 8.360 nan 0.000 0.460 186 V N -0.730 119.226 119.914 0.070 0.000 2.644 186 V HA 0.560 4.666 4.120 -0.023 0.000 0.295 186 V C -0.525 175.573 176.094 0.007 0.000 1.053 186 V CA -0.917 61.427 62.300 0.074 0.000 0.987 186 V CB 1.042 32.940 31.823 0.124 0.000 1.006 186 V HN 0.560 nan 8.190 nan 0.000 0.472 187 K N 2.516 122.910 120.400 -0.009 0.000 2.274 187 K HA 0.409 4.715 4.320 -0.023 0.000 0.262 187 K C 0.850 177.443 176.600 -0.012 0.000 0.961 187 K CA 0.139 56.407 56.287 -0.033 0.000 0.833 187 K CB 1.783 34.243 32.500 -0.066 0.000 1.102 187 K HN 0.967 nan 8.250 nan 0.000 0.436 188 T N -1.582 112.964 114.554 -0.014 0.000 3.031 188 T HA -0.062 4.274 4.350 -0.023 0.000 0.254 188 T C 1.726 176.400 174.700 -0.043 0.000 1.060 188 T CA 0.303 62.424 62.100 0.035 0.000 1.135 188 T CB 0.082 69.002 68.868 0.086 0.000 0.896 188 T HN 0.368 nan 8.240 nan 0.000 0.472 189 K N 2.736 123.040 120.400 -0.161 0.000 2.108 189 K HA -0.137 4.169 4.320 -0.023 0.000 0.219 189 K C -0.852 175.571 176.600 -0.294 0.000 1.054 189 K CA 2.234 58.339 56.287 -0.304 0.000 0.945 189 K CB -1.429 30.870 32.500 -0.335 0.000 0.728 189 K HN 0.332 nan 8.250 nan 0.000 0.462 190 P HA -0.130 nan 4.420 nan 0.000 0.215 190 P C 1.177 178.506 177.300 0.049 0.000 1.157 190 P CA 1.779 64.841 63.100 -0.063 0.000 0.874 190 P CB -0.240 31.449 31.700 -0.019 0.000 0.790 191 T N -0.129 114.479 114.554 0.090 0.000 2.720 191 T HA -0.210 4.126 4.350 -0.023 0.000 0.268 191 T C 1.882 176.763 174.700 0.301 0.000 1.037 191 T CA 1.459 63.681 62.100 0.203 0.000 1.144 191 T CB -0.650 68.364 68.868 0.244 0.000 0.864 191 T HN 0.312 nan 8.240 nan 0.000 0.444 192 Q N -0.035 119.912 119.800 0.246 0.000 2.002 192 Q HA -0.186 4.140 4.340 -0.023 0.000 0.204 192 Q C 2.317 178.498 176.000 0.301 0.000 0.988 192 Q CA 1.697 57.644 55.803 0.241 0.000 0.843 192 Q CB -0.385 28.206 28.738 -0.246 0.000 0.908 192 Q HN 0.579 nan 8.270 nan 0.000 0.420 193 H N -0.119 118.977 119.070 0.044 0.000 2.387 193 H HA -0.083 4.468 4.556 -0.008 0.000 0.299 193 H C 2.326 177.692 175.328 0.064 0.000 1.099 193 H CA 1.473 57.543 56.048 0.037 0.000 1.315 193 H CB -0.493 29.279 29.762 0.017 0.000 1.380 193 H HN 0.167 nan 8.280 nan 0.000 0.513 194 S N -0.358 115.482 115.700 0.233 0.000 2.368 194 S HA -0.094 4.362 4.470 -0.023 0.000 0.224 194 S C 2.368 177.039 174.600 0.118 0.000 1.029 194 S CA 1.030 59.349 58.200 0.197 0.000 0.988 194 S CB -0.452 62.919 63.200 0.285 0.000 0.838 194 S HN 0.169 nan 8.310 nan 0.000 0.462 195 V N 2.500 122.498 119.914 0.140 0.000 2.392 195 V HA -0.177 3.929 4.120 -0.023 0.000 0.249 195 V C 2.509 178.608 176.094 0.009 0.000 1.059 195 V CA 2.234 64.554 62.300 0.033 0.000 1.051 195 V CB -0.730 31.161 31.823 0.113 0.000 0.658 195 V HN 0.596 nan 8.190 nan 0.000 0.455 196 K N -0.054 120.386 120.400 0.065 0.000 2.103 196 K HA -0.226 4.080 4.320 -0.023 0.000 0.207 196 K C 2.080 178.669 176.600 -0.019 0.000 1.048 196 K CA 1.651 57.951 56.287 0.022 0.000 0.930 196 K CB -0.146 32.362 32.500 0.015 0.000 0.716 196 K HN 0.440 nan 8.250 nan 0.000 0.444 197 E N 0.958 121.154 120.200 -0.007 0.000 2.058 197 E HA -0.203 4.133 4.350 -0.023 0.000 0.194 197 E C 2.154 178.718 176.600 -0.061 0.000 0.997 197 E CA 1.336 57.724 56.400 -0.021 0.000 0.801 197 E CB -0.208 29.502 29.700 0.015 0.000 0.746 197 E HN 0.394 nan 8.360 nan 0.000 0.450 198 L N 0.677 121.833 121.223 -0.111 0.000 1.989 198 L HA -0.226 4.100 4.340 -0.023 0.000 0.211 198 L C 2.710 179.489 176.870 -0.153 0.000 1.071 198 L CA 0.971 55.706 54.840 -0.174 0.000 0.749 198 L CB -0.566 41.320 42.059 -0.289 0.000 0.890 198 L HN 0.151 nan 8.230 nan 0.000 0.431 199 L N -0.223 120.925 121.223 -0.124 0.000 1.997 199 L HA -0.287 4.039 4.340 -0.023 0.000 0.216 199 L C 2.852 179.672 176.870 -0.085 0.000 1.074 199 L CA 1.908 56.687 54.840 -0.102 0.000 0.763 199 L CB -0.911 41.111 42.059 -0.062 0.000 0.890 199 L HN 0.456 nan 8.230 nan 0.000 0.434 200 S N 0.511 116.172 115.700 -0.066 0.000 2.488 200 S HA -0.177 4.279 4.470 -0.023 0.000 0.246 200 S C 1.464 176.029 174.600 -0.058 0.000 0.992 200 S CA 1.313 59.480 58.200 -0.054 0.000 0.963 200 S CB -0.752 62.422 63.200 -0.044 0.000 0.754 200 S HN 0.620 nan 8.310 nan 0.000 0.519 201 I N -3.959 116.566 120.570 -0.076 0.000 3.856 201 I HA 0.603 4.759 4.170 -0.023 0.000 0.330 201 I C 1.113 177.171 176.117 -0.098 0.000 1.546 201 I CA -0.018 61.237 61.300 -0.074 0.000 1.132 201 I CB -0.294 37.668 38.000 -0.063 0.000 1.157 201 I HN 0.319 nan 8.210 nan 0.000 0.440 202 G N 2.283 111.019 108.800 -0.107 0.000 2.141 202 G HA2 -0.221 3.725 3.960 -0.023 0.000 0.242 202 G HA3 -0.221 3.725 3.960 -0.023 0.000 0.242 202 G C -0.127 174.655 174.900 -0.197 0.000 0.982 202 G CA 0.155 45.183 45.100 -0.119 0.000 0.662 202 G HN 0.492 nan 8.290 nan 0.000 0.527 203 I N 0.310 120.725 120.570 -0.259 0.000 2.433 203 I HA 0.500 4.656 4.170 -0.023 0.000 0.292 203 I C -0.032 175.856 176.117 -0.381 0.000 1.001 203 I CA -0.986 60.038 61.300 -0.460 0.000 1.119 203 I CB 2.036 39.661 38.000 -0.625 0.000 1.289 203 I HN 0.101 nan 8.210 nan 0.000 0.438 204 Q N 9.248 128.814 119.800 -0.390 0.000 2.381 204 Q HA 0.451 4.777 4.340 -0.023 0.000 0.263 204 Q C -2.558 173.348 176.000 -0.156 0.000 1.030 204 Q CA -1.895 53.780 55.803 -0.212 0.000 0.772 204 Q CB 1.483 30.157 28.738 -0.107 0.000 1.232 204 Q HN 0.196 nan 8.270 nan 0.000 0.476 205 P HA -0.023 nan 4.420 nan 0.000 0.265 205 P C -0.590 176.772 177.300 0.103 0.000 1.187 205 P CA 0.275 63.399 63.100 0.041 0.000 0.766 205 P CB 0.886 32.589 31.700 0.004 0.000 0.820 206 D N 1.268 121.793 120.400 0.208 0.000 2.324 206 D HA 0.157 4.783 4.640 -0.023 0.000 0.212 206 D C 0.764 177.101 176.300 0.062 0.000 0.984 206 D CA 1.002 55.101 54.000 0.165 0.000 0.885 206 D CB 0.533 41.472 40.800 0.232 0.000 0.996 206 D HN 0.337 nan 8.370 nan 0.000 0.505 207 I N 0.849 121.449 120.570 0.051 0.000 2.769 207 I HA 0.238 4.394 4.170 -0.023 0.000 0.298 207 I C -1.050 175.066 176.117 -0.001 0.000 1.128 207 I CA -0.616 60.653 61.300 -0.051 0.000 1.031 207 I CB 3.242 41.199 38.000 -0.072 0.000 1.235 207 I HN -0.320 nan 8.210 nan 0.000 0.423 208 L N 5.931 127.123 121.223 -0.051 0.000 2.343 208 L HA 0.489 4.815 4.340 -0.023 0.000 0.278 208 L C -0.908 175.937 176.870 -0.041 0.000 0.996 208 L CA -0.766 54.066 54.840 -0.014 0.000 0.831 208 L CB 1.749 43.791 42.059 -0.028 0.000 1.232 208 L HN 0.380 nan 8.230 nan 0.000 0.413 209 I N 2.982 123.532 120.570 -0.033 0.000 2.281 209 I HA 0.115 4.271 4.170 -0.023 0.000 0.293 209 I C 0.181 176.267 176.117 -0.051 0.000 1.085 209 I CA -0.269 60.999 61.300 -0.053 0.000 1.257 209 I CB 0.702 38.666 38.000 -0.060 0.000 1.430 209 I HN 0.542 nan 8.210 nan 0.000 0.489 210 C N 7.114 126.390 119.300 -0.040 0.000 2.322 210 C HA 0.356 4.802 4.460 -0.023 0.000 0.343 210 C C 1.074 176.047 174.990 -0.028 0.000 1.190 210 C CA -0.990 58.012 59.018 -0.026 0.000 1.704 210 C CB -0.708 27.026 27.740 -0.010 0.000 2.293 210 C HN 0.537 nan 8.230 nan 0.000 0.523 211 R N 2.193 122.675 120.500 -0.032 0.000 2.490 211 R HA 0.715 5.041 4.340 -0.023 0.000 0.278 211 R C 0.128 176.421 176.300 -0.012 0.000 1.069 211 R CA 0.127 56.209 56.100 -0.030 0.000 1.080 211 R CB 1.451 31.727 30.300 -0.039 0.000 1.030 211 R HN 0.787 nan 8.270 nan 0.000 0.491 212 S N -0.677 115.016 115.700 -0.011 0.000 2.645 212 S HA 0.056 4.512 4.470 -0.023 0.000 0.268 212 S C -0.064 174.531 174.600 -0.010 0.000 1.110 212 S CA -0.686 57.516 58.200 0.004 0.000 0.823 212 S CB 0.860 64.073 63.200 0.022 0.000 1.091 212 S HN 0.601 nan 8.310 nan 0.000 0.466 213 D N 1.051 121.447 120.400 -0.006 0.000 2.104 213 D HA -0.064 4.562 4.640 -0.023 0.000 0.194 213 D C 1.123 177.388 176.300 -0.059 0.000 0.994 213 D CA 1.424 55.402 54.000 -0.037 0.000 0.830 213 D CB 0.030 40.788 40.800 -0.069 0.000 0.959 213 D HN 0.579 nan 8.370 nan 0.000 0.452 214 R N 0.075 120.536 120.500 -0.066 0.000 3.055 214 R HA 0.706 5.032 4.340 -0.023 0.000 0.231 214 R C -0.309 175.967 176.300 -0.039 0.000 1.443 214 R CA -0.829 55.229 56.100 -0.070 0.000 1.063 214 R CB 0.718 30.949 30.300 -0.116 0.000 1.514 214 R HN -0.150 nan 8.270 nan 0.000 0.510 215 A N 0.581 123.380 122.820 -0.035 0.000 2.313 215 A HA 0.403 4.709 4.320 -0.023 0.000 0.261 215 A C -0.153 177.427 177.584 -0.007 0.000 1.090 215 A CA -0.612 51.412 52.037 -0.021 0.000 0.807 215 A CB 0.609 19.597 19.000 -0.020 0.000 1.055 215 A HN 0.348 nan 8.150 nan 0.000 0.492 216 V N 3.883 123.795 119.914 -0.003 0.000 2.288 216 V HA 0.239 4.345 4.120 -0.023 0.000 0.266 216 V C -2.115 173.984 176.094 0.008 0.000 1.048 216 V CA -1.420 60.885 62.300 0.009 0.000 0.842 216 V CB 0.460 32.288 31.823 0.009 0.000 1.064 216 V HN 0.792 nan 8.190 nan 0.000 0.472 217 P HA -0.098 nan 4.420 nan 0.000 0.263 217 P C 0.979 178.287 177.300 0.013 0.000 1.162 217 P CA 0.545 63.653 63.100 0.014 0.000 0.758 217 P CB 0.702 32.416 31.700 0.024 0.000 0.773 218 A N 3.568 126.392 122.820 0.007 0.000 1.997 218 A HA -0.315 3.991 4.320 -0.023 0.000 0.221 218 A C 2.171 179.762 177.584 0.012 0.000 1.172 218 A CA 2.287 54.326 52.037 0.004 0.000 0.645 218 A CB -1.305 17.696 19.000 0.002 0.000 0.813 218 A HN 0.639 nan 8.150 nan 0.000 0.454 219 N N 0.317 119.028 118.700 0.018 0.000 2.007 219 N HA -0.202 4.524 4.740 -0.023 0.000 0.197 219 N C 1.595 177.126 175.510 0.035 0.000 1.050 219 N CA 2.198 55.262 53.050 0.024 0.000 0.856 219 N CB -0.357 38.145 38.487 0.025 0.000 1.050 219 N HN 0.567 nan 8.380 nan 0.000 0.423 220 E N 0.294 120.518 120.200 0.040 0.000 2.150 220 E HA -0.127 4.209 4.350 -0.023 0.000 0.193 220 E C 2.175 178.812 176.600 0.061 0.000 0.985 220 E CA 0.578 57.013 56.400 0.060 0.000 0.814 220 E CB -0.277 29.457 29.700 0.058 0.000 0.752 220 E HN 0.490 nan 8.360 nan 0.000 0.466 221 R N 0.820 121.338 120.500 0.030 0.000 2.091 221 R HA -0.102 4.224 4.340 -0.023 0.000 0.238 221 R C 2.424 178.721 176.300 -0.004 0.000 1.136 221 R CA 1.363 57.465 56.100 0.004 0.000 0.959 221 R CB -0.403 29.889 30.300 -0.013 0.000 0.856 221 R HN 0.159 nan 8.270 nan 0.000 0.437 222 A N 1.295 124.122 122.820 0.011 0.000 1.877 222 A HA -0.214 4.092 4.320 -0.023 0.000 0.216 222 A C 2.057 179.664 177.584 0.039 0.000 1.186 222 A CA 1.509 53.553 52.037 0.012 0.000 0.620 222 A CB -0.368 18.643 19.000 0.019 0.000 0.822 222 A HN 0.198 nan 8.150 nan 0.000 0.443 223 K N -0.410 120.042 120.400 0.087 0.000 2.020 223 K HA -0.159 4.147 4.320 -0.023 0.000 0.212 223 K C 1.792 178.565 176.600 0.288 0.000 1.050 223 K CA 1.915 58.312 56.287 0.183 0.000 0.929 223 K CB -0.377 32.230 32.500 0.179 0.000 0.714 223 K HN 0.505 nan 8.250 nan 0.000 0.443 224 I N 0.501 121.171 120.570 0.168 0.000 2.090 224 I HA -0.324 3.832 4.170 -0.023 0.000 0.236 224 I C 2.385 178.210 176.117 -0.486 0.000 1.064 224 I CA 1.370 62.548 61.300 -0.203 0.000 1.324 224 I CB -0.453 37.486 38.000 -0.101 0.000 1.044 224 I HN 0.298 nan 8.210 nan 0.000 0.399 225 A N 0.668 123.354 122.820 -0.222 0.000 1.909 225 A HA -0.321 3.985 4.320 -0.023 0.000 0.221 225 A C 2.273 179.749 177.584 -0.179 0.000 1.223 225 A CA 2.554 54.478 52.037 -0.188 0.000 0.658 225 A CB -1.216 17.726 19.000 -0.096 0.000 0.831 225 A HN 0.471 nan 8.150 nan 0.000 0.462 226 L N -0.409 120.761 121.223 -0.088 0.000 1.994 226 L HA -0.132 4.194 4.340 -0.023 0.000 0.208 226 L C 2.299 179.175 176.870 0.010 0.000 1.071 226 L CA 2.818 57.653 54.840 -0.009 0.000 0.745 226 L CB -0.898 41.199 42.059 0.063 0.000 0.892 226 L HN 0.573 nan 8.230 nan 0.000 0.431 227 F N -2.055 117.899 119.950 0.006 0.000 2.661 227 F HA 0.070 4.580 4.527 -0.028 0.000 0.298 227 F C 1.837 177.642 175.800 0.008 0.000 1.137 227 F CA 0.322 58.327 58.000 0.008 0.000 1.454 227 F CB -1.658 37.349 39.000 0.012 0.000 1.103 227 F HN 0.036 nan 8.300 nan 0.000 0.577 228 C N 1.185 120.133 119.300 -0.585 0.000 2.791 228 C HA 0.222 4.668 4.460 -0.023 0.000 0.270 228 C C 1.105 175.994 174.990 -0.167 0.000 1.257 228 C CA 0.180 58.969 59.018 -0.380 0.000 1.699 228 C CB -2.457 24.981 27.740 -0.503 0.000 1.904 228 C HN 0.811 nan 8.230 nan 0.000 0.603 229 N N 0.555 119.183 118.700 -0.120 0.000 2.738 229 N HA -0.177 4.549 4.740 -0.023 0.000 0.249 229 N C -0.970 174.503 175.510 -0.061 0.000 1.047 229 N CA 0.029 53.045 53.050 -0.057 0.000 0.707 229 N CB -0.484 37.988 38.487 -0.025 0.000 0.937 229 N HN 0.343 nan 8.380 nan 0.000 0.545 230 V N 1.467 121.325 119.914 -0.094 0.000 2.709 230 V HA 0.521 4.627 4.120 -0.023 0.000 0.308 230 V C -2.042 174.006 176.094 -0.076 0.000 1.062 230 V CA -1.247 61.004 62.300 -0.082 0.000 0.901 230 V CB 1.948 33.694 31.823 -0.128 0.000 1.003 230 V HN 0.110 nan 8.190 nan 0.000 0.425 231 P HA 0.121 nan 4.420 nan 0.000 0.264 231 P C 0.752 178.002 177.300 -0.084 0.000 1.193 231 P CA 0.294 63.376 63.100 -0.029 0.000 0.763 231 P CB 0.835 32.562 31.700 0.044 0.000 0.810 232 E N 2.589 122.753 120.200 -0.060 0.000 2.108 232 E HA -0.270 4.066 4.350 -0.023 0.000 0.203 232 E C 1.618 178.156 176.600 -0.103 0.000 1.022 232 E CA 1.580 57.938 56.400 -0.072 0.000 0.823 232 E CB -0.046 29.630 29.700 -0.040 0.000 0.744 232 E HN 0.415 nan 8.360 nan 0.000 0.456 233 K N -0.295 120.048 120.400 -0.095 0.000 2.160 233 K HA -0.168 4.138 4.320 -0.023 0.000 0.206 233 K C 1.949 178.364 176.600 -0.307 0.000 1.047 233 K CA 1.153 57.361 56.287 -0.133 0.000 0.930 233 K CB -0.222 32.255 32.500 -0.038 0.000 0.720 233 K HN 0.125 nan 8.250 nan 0.000 0.450 234 A N 1.230 123.793 122.820 -0.427 0.000 2.209 234 A HA 0.023 4.329 4.320 -0.023 0.000 0.212 234 A C 0.901 178.301 177.584 -0.307 0.000 1.158 234 A CA 0.242 51.928 52.037 -0.584 0.000 0.742 234 A CB 0.036 18.649 19.000 -0.646 0.000 0.790 234 A HN 0.020 nan 8.150 nan 0.000 0.472 235 V N 1.742 121.531 119.914 -0.209 0.000 2.320 235 V HA 0.287 4.393 4.120 -0.023 0.000 0.265 235 V C -0.560 175.466 176.094 -0.113 0.000 1.048 235 V CA -0.379 61.837 62.300 -0.141 0.000 0.865 235 V CB 0.290 32.044 31.823 -0.115 0.000 1.043 235 V HN 0.273 nan 8.190 nan 0.000 0.474 236 I N 3.713 124.221 120.570 -0.103 0.000 2.437 236 I HA 0.399 4.555 4.170 -0.023 0.000 0.298 236 I C 0.531 176.614 176.117 -0.058 0.000 0.984 236 I CA 0.203 61.454 61.300 -0.082 0.000 1.214 236 I CB 1.949 39.896 38.000 -0.088 0.000 1.365 236 I HN 0.556 nan 8.210 nan 0.000 0.469 237 S N 5.710 121.382 115.700 -0.048 0.000 2.457 237 S HA 0.618 5.074 4.470 -0.023 0.000 0.289 237 S C -0.668 173.907 174.600 -0.041 0.000 1.163 237 S CA -0.462 57.717 58.200 -0.037 0.000 1.078 237 S CB 0.233 63.417 63.200 -0.027 0.000 0.987 237 S HN 0.513 nan 8.310 nan 0.000 0.482 238 L N 6.528 127.726 121.223 -0.042 0.000 2.495 238 L HA 0.469 4.795 4.340 -0.023 0.000 0.248 238 L C -0.052 176.791 176.870 -0.045 0.000 1.229 238 L CA -0.530 54.280 54.840 -0.050 0.000 0.942 238 L CB 0.390 42.411 42.059 -0.064 0.000 1.242 238 L HN 0.752 nan 8.230 nan 0.000 0.484 239 K N 0.237 120.614 120.400 -0.038 0.000 2.156 239 K HA 0.259 4.565 4.320 -0.023 0.000 0.242 239 K C -0.628 175.948 176.600 -0.041 0.000 1.033 239 K CA -0.482 55.783 56.287 -0.036 0.000 0.878 239 K CB 0.448 32.928 32.500 -0.034 0.000 1.057 239 K HN 0.183 nan 8.250 nan 0.000 0.505 240 D N 0.892 121.269 120.400 -0.039 0.000 2.351 240 D HA 0.164 4.790 4.640 -0.023 0.000 0.251 240 D C -0.423 175.854 176.300 -0.038 0.000 1.137 240 D CA -0.291 53.685 54.000 -0.040 0.000 0.879 240 D CB 1.252 42.030 40.800 -0.036 0.000 1.181 240 D HN 0.485 nan 8.370 nan 0.000 0.448 241 V N -0.364 119.525 119.914 -0.041 0.000 2.919 241 V HA 0.408 4.514 4.120 -0.023 0.000 0.316 241 V C 0.785 176.858 176.094 -0.035 0.000 1.077 241 V CA -0.860 61.420 62.300 -0.033 0.000 0.977 241 V CB 2.079 33.883 31.823 -0.031 0.000 1.039 241 V HN 0.375 nan 8.190 nan 0.000 0.441 242 D N 0.996 121.383 120.400 -0.022 0.000 2.348 242 D HA 0.037 4.663 4.640 -0.023 0.000 0.216 242 D C 0.766 177.046 176.300 -0.034 0.000 0.970 242 D CA 1.238 55.226 54.000 -0.021 0.000 0.889 242 D CB 0.265 41.061 40.800 -0.006 0.000 0.912 242 D HN 0.795 nan 8.370 nan 0.000 0.524 243 S N -0.139 115.535 115.700 -0.045 0.000 2.649 243 S HA 0.305 4.761 4.470 -0.023 0.000 0.274 243 S C 0.881 175.400 174.600 -0.136 0.000 1.176 243 S CA -0.924 57.214 58.200 -0.102 0.000 0.988 243 S CB 0.579 63.774 63.200 -0.009 0.000 1.071 243 S HN 0.199 nan 8.310 nan 0.000 0.478 244 I N 2.080 122.496 120.570 -0.256 0.000 2.700 244 I HA -0.062 4.094 4.170 -0.023 0.000 0.261 244 I C 1.028 177.139 176.117 -0.010 0.000 1.219 244 I CA 1.219 62.428 61.300 -0.152 0.000 1.463 244 I CB -0.600 37.316 38.000 -0.140 0.000 1.092 244 I HN 0.667 nan 8.210 nan 0.000 0.452 245 Y N 2.516 122.905 120.300 0.147 0.000 2.569 245 Y HA -0.049 4.487 4.550 -0.023 0.000 0.293 245 Y C 2.357 178.320 175.900 0.104 0.000 1.144 245 Y CA 0.607 58.802 58.100 0.159 0.000 1.321 245 Y CB -0.810 37.801 38.460 0.251 0.000 0.982 245 Y HN 0.287 nan 8.280 nan 0.000 0.558 246 K N -0.121 120.376 120.400 0.163 0.000 2.243 246 K HA 0.034 4.340 4.320 -0.023 0.000 0.201 246 K C 1.901 178.519 176.600 0.030 0.000 1.051 246 K CA 0.667 57.016 56.287 0.103 0.000 0.970 246 K CB -0.192 32.348 32.500 0.067 0.000 0.755 246 K HN 0.352 nan 8.250 nan 0.000 0.465 247 I N 2.233 122.801 120.570 -0.004 0.000 2.113 247 I HA -0.269 3.887 4.170 -0.023 0.000 0.242 247 I C -0.779 175.287 176.117 -0.086 0.000 1.064 247 I CA 1.639 62.903 61.300 -0.060 0.000 1.320 247 I CB -1.601 36.336 38.000 -0.105 0.000 1.028 247 I HN 0.054 nan 8.210 nan 0.000 0.406 248 P HA -0.190 nan 4.420 nan 0.000 0.216 248 P C 1.628 178.879 177.300 -0.081 0.000 1.154 248 P CA 2.121 65.117 63.100 -0.173 0.000 0.865 248 P CB -0.389 31.058 31.700 -0.421 0.000 0.789 249 G N 0.085 108.866 108.800 -0.033 0.000 2.440 249 G HA2 -0.237 3.709 3.960 -0.023 0.000 0.218 249 G HA3 -0.237 3.709 3.960 -0.023 0.000 0.218 249 G C 1.509 176.409 174.900 0.001 0.000 1.154 249 G CA 0.837 45.946 45.100 0.015 0.000 0.767 249 G HN 0.242 nan 8.290 nan 0.000 0.552 250 L N -0.021 121.194 121.223 -0.014 0.000 2.046 250 L HA -0.009 4.317 4.340 -0.023 0.000 0.208 250 L C 2.936 179.789 176.870 -0.028 0.000 1.077 250 L CA 0.582 55.410 54.840 -0.020 0.000 0.747 250 L CB -0.828 41.213 42.059 -0.029 0.000 0.896 250 L HN 0.172 nan 8.230 nan 0.000 0.432 251 L N 0.398 121.595 121.223 -0.042 0.000 1.990 251 L HA -0.262 4.065 4.340 -0.023 0.000 0.213 251 L C 2.811 179.666 176.870 -0.025 0.000 1.072 251 L CA 1.760 56.573 54.840 -0.044 0.000 0.755 251 L CB -0.732 41.290 42.059 -0.061 0.000 0.889 251 L HN 0.288 nan 8.230 nan 0.000 0.432 252 K N 0.622 121.014 120.400 -0.014 0.000 2.009 252 K HA -0.245 4.061 4.320 -0.023 0.000 0.210 252 K C 2.364 178.966 176.600 0.005 0.000 1.049 252 K CA 1.988 58.277 56.287 0.004 0.000 0.929 252 K CB -0.234 32.278 32.500 0.019 0.000 0.714 252 K HN 0.304 nan 8.250 nan 0.000 0.440 253 S N 0.240 115.942 115.700 0.004 0.000 2.441 253 S HA -0.240 4.216 4.470 -0.023 0.000 0.242 253 S C 1.383 175.982 174.600 -0.003 0.000 1.018 253 S CA 1.671 59.873 58.200 0.004 0.000 0.988 253 S CB -0.315 62.887 63.200 0.003 0.000 0.778 253 S HN 0.541 nan 8.310 nan 0.000 0.498 254 Q N 0.177 119.970 119.800 -0.011 0.000 2.188 254 Q HA 0.397 4.723 4.340 -0.023 0.000 0.212 254 Q C 0.963 176.956 176.000 -0.011 0.000 0.846 254 Q CA 0.109 55.901 55.803 -0.018 0.000 0.989 254 Q CB 0.386 29.103 28.738 -0.035 0.000 1.114 254 Q HN 0.676 nan 8.270 nan 0.000 0.488 255 G N 1.794 110.597 108.800 0.004 0.000 2.356 255 G HA2 -0.288 3.658 3.960 -0.023 0.000 0.296 255 G HA3 -0.288 3.658 3.960 -0.023 0.000 0.296 255 G C 0.522 175.445 174.900 0.039 0.000 1.022 255 G CA 0.432 45.545 45.100 0.023 0.000 0.961 255 G HN 0.386 nan 8.290 nan 0.000 0.510 256 L N 0.744 121.976 121.223 0.015 0.000 2.056 256 L HA 0.030 4.356 4.340 -0.023 0.000 0.207 256 L C 2.561 179.465 176.870 0.058 0.000 1.078 256 L CA 2.885 57.737 54.840 0.021 0.000 0.749 256 L CB -0.589 41.458 42.059 -0.021 0.000 0.901 256 L HN 0.465 nan 8.230 nan 0.000 0.433 257 D N -0.962 119.458 120.400 0.034 0.000 2.116 257 D HA -0.254 4.372 4.640 -0.023 0.000 0.193 257 D C 1.644 177.964 176.300 0.035 0.000 0.998 257 D CA 1.730 55.750 54.000 0.033 0.000 0.836 257 D CB -0.918 39.900 40.800 0.030 0.000 0.951 257 D HN 0.397 nan 8.370 nan 0.000 0.449 258 D N -0.008 120.416 120.400 0.039 0.000 2.120 258 D HA -0.222 4.404 4.640 -0.023 0.000 0.191 258 D C 2.045 178.352 176.300 0.012 0.000 0.994 258 D CA 1.205 55.220 54.000 0.025 0.000 0.838 258 D CB -0.808 40.013 40.800 0.034 0.000 0.976 258 D HN 0.246 nan 8.370 nan 0.000 0.447 259 Y N 1.794 122.054 120.300 -0.068 0.000 2.096 259 Y HA -0.290 4.246 4.550 -0.024 0.000 0.276 259 Y C 2.423 178.229 175.900 -0.157 0.000 1.209 259 Y CA 1.542 59.583 58.100 -0.098 0.000 1.137 259 Y CB -0.412 37.993 38.460 -0.092 0.000 0.956 259 Y HN -0.003 nan 8.280 nan 0.000 0.506 260 I N -1.253 119.317 120.570 -0.001 0.000 2.179 260 I HA -0.404 3.753 4.170 -0.023 0.000 0.242 260 I C 2.491 178.473 176.117 -0.226 0.000 1.088 260 I CA 1.503 62.701 61.300 -0.170 0.000 1.357 260 I CB -0.850 37.125 38.000 -0.042 0.000 1.051 260 I HN 0.377 nan 8.210 nan 0.000 0.409 261 c N 0.703 119.254 118.600 -0.081 0.000 2.429 261 c HA -0.182 4.374 4.570 -0.023 0.000 0.277 261 c C 2.881 176.916 174.090 -0.092 0.000 1.262 261 c CA 0.920 57.231 56.329 -0.030 0.000 1.733 261 c CB -1.022 41.487 42.510 -0.003 0.000 2.010 261 c HN 0.483 nan 8.230 nan 0.000 0.483 262 K N 1.242 121.539 120.400 -0.171 0.000 1.985 262 K HA -0.223 4.083 4.320 -0.023 0.000 0.210 262 K C 2.315 178.753 176.600 -0.270 0.000 1.047 262 K CA 1.809 57.976 56.287 -0.198 0.000 0.932 262 K CB -0.376 31.989 32.500 -0.225 0.000 0.716 262 K HN 0.342 nan 8.250 nan 0.000 0.439 263 R N -0.332 119.879 120.500 -0.482 0.000 2.133 263 R HA -0.157 4.169 4.340 -0.023 0.000 0.247 263 R C 1.709 177.818 176.300 -0.318 0.000 1.151 263 R CA 1.985 57.777 56.100 -0.513 0.000 0.971 263 R CB -0.329 29.546 30.300 -0.707 0.000 0.866 263 R HN 0.225 nan 8.270 nan 0.000 0.447 264 F N 0.748 120.606 119.950 -0.153 0.000 2.797 264 F HA 0.249 4.762 4.527 -0.025 0.000 0.302 264 F C 0.631 176.374 175.800 -0.095 0.000 1.130 264 F CA 0.301 58.226 58.000 -0.126 0.000 1.387 264 F CB 0.005 38.966 39.000 -0.065 0.000 1.107 264 F HN -0.054 nan 8.300 nan 0.000 0.577 265 S N 0.565 116.294 115.700 0.049 0.000 3.706 265 S HA -0.206 4.250 4.470 -0.023 0.000 0.363 265 S C -0.138 174.498 174.600 0.060 0.000 0.999 265 S CA 0.070 58.288 58.200 0.030 0.000 1.143 265 S CB -2.596 60.615 63.200 0.019 0.000 0.902 265 S HN 0.280 nan 8.310 nan 0.000 0.476 266 L N 1.390 122.652 121.223 0.065 0.000 2.334 266 L HA 0.542 4.868 4.340 -0.023 0.000 0.270 266 L C 0.737 177.627 176.870 0.033 0.000 1.018 266 L CA -0.936 53.940 54.840 0.060 0.000 0.811 266 L CB 0.720 42.829 42.059 0.083 0.000 1.271 266 L HN 0.454 nan 8.230 nan 0.000 0.443 267 N N 1.151 119.867 118.700 0.027 0.000 2.437 267 N HA 0.149 4.875 4.740 -0.023 0.000 0.243 267 N C -1.338 174.184 175.510 0.020 0.000 1.041 267 N CA -0.407 52.653 53.050 0.018 0.000 0.940 267 N CB 0.950 39.445 38.487 0.013 0.000 1.133 267 N HN 0.446 nan 8.380 nan 0.000 0.506 268 c N 4.475 123.086 118.600 0.019 0.000 2.362 268 c HA 0.430 4.986 4.570 -0.023 0.000 0.309 268 c C -2.074 172.027 174.090 0.019 0.000 1.110 268 c CA -1.248 55.094 56.329 0.023 0.000 1.485 268 c CB 0.258 42.783 42.510 0.026 0.000 1.949 268 c HN 0.617 nan 8.230 nan 0.000 0.419 269 P HA 0.104 nan 4.420 nan 0.000 0.268 269 P C 0.069 177.381 177.300 0.020 0.000 1.208 269 P CA 0.287 63.397 63.100 0.016 0.000 0.777 269 P CB 0.578 32.288 31.700 0.016 0.000 0.875 270 E N 0.291 120.502 120.200 0.018 0.000 2.413 270 E HA 0.311 4.647 4.350 -0.023 0.000 0.263 270 E C 0.082 176.697 176.600 0.026 0.000 1.015 270 E CA -0.177 56.236 56.400 0.021 0.000 0.916 270 E CB 0.430 30.140 29.700 0.017 0.000 0.947 270 E HN 0.462 nan 8.360 nan 0.000 0.440 271 A N 2.837 125.677 122.820 0.033 0.000 2.263 271 A HA 0.288 4.594 4.320 -0.023 0.000 0.318 271 A C 0.481 178.090 177.584 0.042 0.000 1.111 271 A CA -0.622 51.440 52.037 0.042 0.000 0.901 271 A CB 0.693 19.728 19.000 0.059 0.000 1.280 271 A HN 0.690 nan 8.150 nan 0.000 0.503 272 N N -0.910 117.819 118.700 0.048 0.000 2.511 272 N HA 0.120 4.846 4.740 -0.023 0.000 0.190 272 N C 0.462 176.012 175.510 0.065 0.000 1.037 272 N CA 0.524 53.599 53.050 0.042 0.000 0.895 272 N CB -0.067 38.435 38.487 0.025 0.000 1.149 272 N HN 0.568 nan 8.380 nan 0.000 0.437 273 L N 1.309 122.591 121.223 0.100 0.000 4.560 273 L HA -0.223 4.103 4.340 -0.023 0.000 0.415 273 L C 0.942 177.892 176.870 0.135 0.000 1.123 273 L CA 0.142 55.084 54.840 0.170 0.000 0.991 273 L CB -1.749 40.406 42.059 0.159 0.000 2.127 273 L HN 0.106 nan 8.230 nan 0.000 0.765 274 S N -0.593 115.140 115.700 0.055 0.000 2.399 274 S HA -0.155 4.301 4.470 -0.023 0.000 0.231 274 S C 1.448 176.025 174.600 -0.039 0.000 1.022 274 S CA 1.515 59.720 58.200 0.008 0.000 0.983 274 S CB -0.043 63.147 63.200 -0.018 0.000 0.803 274 S HN 0.593 nan 8.310 nan 0.000 0.480 275 E N 0.373 120.504 120.200 -0.115 0.000 2.106 275 E HA -0.135 4.201 4.350 -0.023 0.000 0.192 275 E C 1.634 177.979 176.600 -0.426 0.000 0.984 275 E CA 1.090 57.299 56.400 -0.318 0.000 0.806 275 E CB -0.201 29.208 29.700 -0.484 0.000 0.750 275 E HN 0.715 nan 8.360 nan 0.000 0.458 276 W N 1.437 122.718 121.300 -0.032 0.000 2.453 276 W HA -0.020 4.627 4.660 -0.022 0.000 0.289 276 W C 2.189 178.718 176.519 0.015 0.000 1.215 276 W CA 0.325 57.657 57.345 -0.022 0.000 1.297 276 W CB 0.024 29.498 29.460 0.024 0.000 1.113 276 W HN 0.052 nan 8.180 nan 0.000 0.551 277 E N 0.255 120.571 120.200 0.194 0.000 2.051 277 E HA -0.294 4.042 4.350 -0.023 0.000 0.192 277 E C 1.957 178.634 176.600 0.128 0.000 0.991 277 E CA 1.487 57.973 56.400 0.144 0.000 0.799 277 E CB -0.331 29.419 29.700 0.084 0.000 0.748 277 E HN 0.107 nan 8.360 nan 0.000 0.449 278 Q N 0.834 120.668 119.800 0.055 0.000 2.096 278 Q HA -0.153 4.173 4.340 -0.023 0.000 0.204 278 Q C 2.082 178.137 176.000 0.091 0.000 0.982 278 Q CA 1.346 57.194 55.803 0.074 0.000 0.850 278 Q CB -0.331 28.395 28.738 -0.021 0.000 0.901 278 Q HN 0.145 nan 8.270 nan 0.000 0.422 279 V N 0.241 120.139 119.914 -0.026 0.000 2.261 279 V HA -0.270 3.836 4.120 -0.023 0.000 0.246 279 V C 2.226 178.346 176.094 0.042 0.000 1.047 279 V CA 1.976 64.217 62.300 -0.098 0.000 1.015 279 V CB -0.496 31.174 31.823 -0.255 0.000 0.642 279 V HN 0.437 nan 8.190 nan 0.000 0.446 280 I N -0.849 119.814 120.570 0.155 0.000 2.194 280 I HA -0.300 3.856 4.170 -0.023 0.000 0.246 280 I C 2.331 178.559 176.117 0.184 0.000 1.093 280 I CA 2.060 63.487 61.300 0.212 0.000 1.355 280 I CB -0.551 37.588 38.000 0.232 0.000 1.046 280 I HN 0.369 nan 8.210 nan 0.000 0.413 281 F N 2.182 122.159 119.950 0.045 0.000 2.031 281 F HA -0.233 4.280 4.527 -0.024 0.000 0.295 281 F C 2.442 178.253 175.800 0.019 0.000 1.133 281 F CA 1.872 59.888 58.000 0.027 0.000 1.188 281 F CB -0.648 38.358 39.000 0.010 0.000 0.974 281 F HN 0.052 nan 8.300 nan 0.000 0.473 282 E N 0.003 120.122 120.200 -0.135 0.000 2.065 282 E HA -0.342 3.994 4.350 -0.023 0.000 0.201 282 E C 2.218 178.684 176.600 -0.222 0.000 1.016 282 E CA 1.779 58.015 56.400 -0.273 0.000 0.818 282 E CB -0.599 29.046 29.700 -0.092 0.000 0.749 282 E HN 0.626 nan 8.360 nan 0.000 0.453 283 E N 0.420 120.575 120.200 -0.075 0.000 2.097 283 E HA -0.252 4.084 4.350 -0.023 0.000 0.196 283 E C 1.933 178.508 176.600 -0.042 0.000 1.000 283 E CA 1.289 57.687 56.400 -0.003 0.000 0.804 283 E CB -0.095 29.680 29.700 0.125 0.000 0.740 283 E HN 0.275 nan 8.360 nan 0.000 0.454 284 A N 0.291 123.068 122.820 -0.071 0.000 2.169 284 A HA -0.001 4.305 4.320 -0.023 0.000 0.212 284 A C 0.751 178.248 177.584 -0.145 0.000 1.153 284 A CA 0.253 52.250 52.037 -0.066 0.000 0.756 284 A CB 0.170 19.168 19.000 -0.004 0.000 0.813 284 A HN 0.147 nan 8.150 nan 0.000 0.471 285 N N 1.353 119.873 118.700 -0.301 0.000 3.012 285 N HA 0.265 4.991 4.740 -0.023 0.000 0.270 285 N C -3.111 172.261 175.510 -0.230 0.000 1.469 285 N CA -0.854 52.012 53.050 -0.306 0.000 0.928 285 N CB 1.160 39.325 38.487 -0.536 0.000 1.219 285 N HN 0.256 nan 8.380 nan 0.000 0.492 286 P HA 0.222 nan 4.420 nan 0.000 0.279 286 P C 0.872 178.127 177.300 -0.074 0.000 1.252 286 P CA -0.382 62.660 63.100 -0.096 0.000 0.811 286 P CB 1.986 33.648 31.700 -0.063 0.000 1.035 287 V N -0.444 119.433 119.914 -0.060 0.000 2.743 287 V HA 0.054 4.160 4.120 -0.023 0.000 0.237 287 V C 1.026 177.098 176.094 -0.036 0.000 1.113 287 V CA 1.208 63.481 62.300 -0.045 0.000 1.141 287 V CB -0.411 31.388 31.823 -0.040 0.000 0.873 287 V HN 0.628 nan 8.190 nan 0.000 0.486 288 S N 0.381 116.059 115.700 -0.037 0.000 2.715 288 S HA 0.765 5.221 4.470 -0.023 0.000 0.307 288 S C -0.787 173.793 174.600 -0.034 0.000 1.119 288 S CA -0.712 57.469 58.200 -0.032 0.000 0.937 288 S CB 2.387 65.568 63.200 -0.033 0.000 1.150 288 S HN 0.621 nan 8.310 nan 0.000 0.521 289 E N -0.960 119.223 120.200 -0.028 0.000 2.367 289 E HA 0.742 5.078 4.350 -0.023 0.000 0.273 289 E C -1.133 175.451 176.600 -0.027 0.000 0.903 289 E CA -1.186 55.197 56.400 -0.027 0.000 0.764 289 E CB 2.116 31.804 29.700 -0.020 0.000 1.252 289 E HN 0.708 nan 8.360 nan 0.000 0.446 290 V N -1.170 118.723 119.914 -0.034 0.000 3.182 290 V HA 0.721 4.827 4.120 -0.023 0.000 0.308 290 V C -0.877 175.196 176.094 -0.035 0.000 1.240 290 V CA -0.652 61.626 62.300 -0.036 0.000 1.063 290 V CB 1.839 33.619 31.823 -0.072 0.000 1.076 290 V HN 0.743 nan 8.190 nan 0.000 0.446 291 T N 2.518 117.052 114.554 -0.033 0.000 2.786 291 T HA 0.711 5.047 4.350 -0.023 0.000 0.283 291 T C -0.565 174.102 174.700 -0.054 0.000 0.992 291 T CA -0.018 62.065 62.100 -0.028 0.000 0.954 291 T CB 0.618 69.485 68.868 -0.002 0.000 0.934 291 T HN 0.625 nan 8.240 nan 0.000 0.440 292 I N 2.564 123.106 120.570 -0.047 0.000 2.378 292 I HA 0.489 4.645 4.170 -0.023 0.000 0.291 292 I C 0.874 176.985 176.117 -0.009 0.000 0.992 292 I CA -0.864 60.408 61.300 -0.046 0.000 1.154 292 I CB 1.749 39.723 38.000 -0.043 0.000 1.315 292 I HN 0.655 nan 8.210 nan 0.000 0.448 293 G N 6.473 115.272 108.800 -0.001 0.000 2.339 293 G HA2 0.478 4.424 3.960 -0.023 0.000 0.287 293 G HA3 0.478 4.424 3.960 -0.023 0.000 0.287 293 G C -0.535 174.356 174.900 -0.015 0.000 1.163 293 G CA -0.493 44.608 45.100 0.002 0.000 0.872 293 G HN 0.606 nan 8.290 nan 0.000 0.464 294 M N 4.406 123.977 119.600 -0.048 0.000 2.103 294 M HA 0.379 4.846 4.480 -0.023 0.000 0.350 294 M C -0.859 175.367 176.300 -0.124 0.000 1.100 294 M CA -0.653 54.578 55.300 -0.116 0.000 1.042 294 M CB 0.871 33.373 32.600 -0.165 0.000 1.368 294 M HN 0.186 nan 8.290 nan 0.000 0.404 295 V N 4.154 124.005 119.914 -0.106 0.000 2.348 295 V HA 0.894 5.000 4.120 -0.023 0.000 0.270 295 V C 0.522 176.552 176.094 -0.106 0.000 1.037 295 V CA -0.398 61.856 62.300 -0.076 0.000 0.872 295 V CB 0.018 31.826 31.823 -0.025 0.000 1.002 295 V HN 0.947 nan 8.190 nan 0.000 0.464 296 G N 4.065 112.810 108.800 -0.091 0.000 2.911 296 G HA2 0.564 4.510 3.960 -0.023 0.000 0.299 296 G HA3 0.564 4.510 3.960 -0.023 0.000 0.299 296 G C 0.052 174.930 174.900 -0.037 0.000 1.283 296 G CA -0.076 44.984 45.100 -0.067 0.000 0.805 296 G HN 0.609 nan 8.290 nan 0.000 0.548 297 K N -1.671 118.687 120.400 -0.070 0.000 2.424 297 K HA 0.194 4.501 4.320 -0.023 0.000 0.198 297 K C 0.584 177.126 176.600 -0.096 0.000 1.190 297 K CA 0.320 56.499 56.287 -0.180 0.000 0.935 297 K CB 0.305 32.585 32.500 -0.366 0.000 1.087 297 K HN 0.355 nan 8.250 nan 0.000 0.524 298 Y N 1.877 122.290 120.300 0.189 0.000 2.583 298 Y HA 0.242 4.778 4.550 -0.022 0.000 0.294 298 Y C 1.040 177.009 175.900 0.115 0.000 1.170 298 Y CA -0.983 57.163 58.100 0.076 0.000 1.265 298 Y CB -0.542 37.862 38.460 -0.092 0.000 1.119 298 Y HN -0.058 nan 8.280 nan 0.000 0.522 299 I N -0.221 120.546 120.570 0.328 0.000 2.761 299 I HA -0.254 3.902 4.170 -0.023 0.000 0.266 299 I C 1.524 177.743 176.117 0.169 0.000 1.239 299 I CA 1.050 62.522 61.300 0.287 0.000 1.451 299 I CB -0.821 37.304 38.000 0.207 0.000 1.096 299 I HN 0.183 nan 8.210 nan 0.000 0.465 300 E N 0.661 120.941 120.200 0.133 0.000 2.153 300 E HA -0.066 4.270 4.350 -0.023 0.000 0.194 300 E C 0.735 177.377 176.600 0.071 0.000 0.988 300 E CA 0.700 57.152 56.400 0.086 0.000 0.811 300 E CB -0.108 29.635 29.700 0.073 0.000 0.746 300 E HN 0.316 nan 8.360 nan 0.000 0.466 301 L N 1.345 122.612 121.223 0.073 0.000 2.337 301 L HA 0.320 4.646 4.340 -0.023 0.000 0.269 301 L C -2.296 174.603 176.870 0.048 0.000 1.018 301 L CA -2.676 52.184 54.840 0.033 0.000 0.876 301 L CB 1.318 43.368 42.059 -0.015 0.000 1.236 301 L HN -0.193 nan 8.230 nan 0.000 0.436 302 P HA -0.172 nan 4.420 nan 0.000 0.217 302 P C 0.638 178.003 177.300 0.109 0.000 1.151 302 P CA 1.210 64.393 63.100 0.138 0.000 0.849 302 P CB 0.358 32.119 31.700 0.102 0.000 0.787 303 D N -0.765 119.659 120.400 0.040 0.000 2.311 303 D HA -0.079 4.548 4.640 -0.023 0.000 0.212 303 D C 1.891 178.174 176.300 -0.028 0.000 0.972 303 D CA 1.054 55.065 54.000 0.018 0.000 0.887 303 D CB -0.663 40.131 40.800 -0.011 0.000 0.915 303 D HN 0.110 nan 8.370 nan 0.000 0.497 304 A N -0.610 122.139 122.820 -0.117 0.000 2.125 304 A HA -0.153 4.153 4.320 -0.023 0.000 0.219 304 A C 0.689 178.026 177.584 -0.413 0.000 1.156 304 A CA 0.930 52.770 52.037 -0.327 0.000 0.671 304 A CB -0.339 18.362 19.000 -0.498 0.000 0.794 304 A HN 0.272 nan 8.150 nan 0.000 0.459 305 Y N -1.730 118.625 120.300 0.092 0.000 2.719 305 Y HA 0.281 4.818 4.550 -0.023 0.000 0.251 305 Y C 1.382 177.327 175.900 0.075 0.000 1.159 305 Y CA -0.899 57.257 58.100 0.093 0.000 1.166 305 Y CB -0.085 38.423 38.460 0.081 0.000 1.219 305 Y HN 0.172 nan 8.280 nan 0.000 0.551 306 K N 0.870 121.377 120.400 0.178 0.000 1.988 306 K HA -0.270 4.037 4.320 -0.023 0.000 0.231 306 K C 2.133 178.817 176.600 0.138 0.000 1.044 306 K CA 2.635 59.002 56.287 0.133 0.000 1.013 306 K CB -0.526 32.016 32.500 0.070 0.000 0.736 306 K HN 0.208 nan 8.250 nan 0.000 0.446 307 S N -0.446 115.370 115.700 0.192 0.000 2.381 307 S HA -0.204 4.252 4.470 -0.023 0.000 0.230 307 S C 2.002 176.616 174.600 0.023 0.000 1.052 307 S CA 1.654 59.970 58.200 0.193 0.000 1.068 307 S CB -0.525 62.949 63.200 0.458 0.000 0.918 307 S HN 0.207 nan 8.310 nan 0.000 0.448 308 V N 1.489 121.433 119.914 0.051 0.000 2.295 308 V HA -0.189 3.917 4.120 -0.023 0.000 0.246 308 V C 2.085 178.113 176.094 -0.110 0.000 1.049 308 V CA 1.693 63.966 62.300 -0.045 0.000 1.024 308 V CB -0.671 31.177 31.823 0.043 0.000 0.648 308 V HN 0.379 nan 8.190 nan 0.000 0.447 309 I N -0.272 120.287 120.570 -0.019 0.000 2.118 309 I HA -0.241 3.915 4.170 -0.023 0.000 0.241 309 I C 2.643 178.678 176.117 -0.138 0.000 1.070 309 I CA 1.670 62.947 61.300 -0.038 0.000 1.327 309 I CB -0.518 37.499 38.000 0.028 0.000 1.034 309 I HN 0.297 nan 8.210 nan 0.000 0.405 310 E N 0.697 120.809 120.200 -0.146 0.000 2.065 310 E HA -0.322 4.014 4.350 -0.023 0.000 0.201 310 E C 2.354 178.464 176.600 -0.818 0.000 1.016 310 E CA 1.745 57.960 56.400 -0.309 0.000 0.818 310 E CB -0.673 28.968 29.700 -0.098 0.000 0.749 310 E HN 0.563 nan 8.360 nan 0.000 0.453 311 A N 1.517 123.878 122.820 -0.765 0.000 1.892 311 A HA -0.213 4.093 4.320 -0.023 0.000 0.218 311 A C 2.468 179.600 177.584 -0.754 0.000 1.188 311 A CA 1.656 53.072 52.037 -1.034 0.000 0.631 311 A CB -0.947 17.021 19.000 -1.721 0.000 0.822 311 A HN 0.204 nan 8.150 nan 0.000 0.447 312 L N -0.829 120.130 121.223 -0.440 0.000 2.012 312 L HA -0.264 4.062 4.340 -0.023 0.000 0.210 312 L C 2.700 179.532 176.870 -0.064 0.000 1.073 312 L CA 1.976 56.785 54.840 -0.053 0.000 0.748 312 L CB -0.502 41.580 42.059 0.038 0.000 0.891 312 L HN 0.410 nan 8.230 nan 0.000 0.431 313 K N -0.542 119.779 120.400 -0.132 0.000 2.044 313 K HA -0.235 4.071 4.320 -0.023 0.000 0.210 313 K C 1.942 178.592 176.600 0.084 0.000 1.049 313 K CA 2.041 58.321 56.287 -0.012 0.000 0.927 313 K CB -0.443 32.084 32.500 0.043 0.000 0.713 313 K HN 0.557 nan 8.250 nan 0.000 0.443 314 H N -1.022 118.052 119.070 0.008 0.000 2.387 314 H HA -0.090 4.451 4.556 -0.024 0.000 0.299 314 H C 2.273 177.606 175.328 0.009 0.000 1.099 314 H CA 0.446 56.485 56.048 -0.014 0.000 1.315 314 H CB -0.205 29.536 29.762 -0.036 0.000 1.380 314 H HN 0.368 nan 8.280 nan 0.000 0.513 315 G N 0.574 109.455 108.800 0.136 0.000 2.459 315 G HA2 -0.294 3.652 3.960 -0.023 0.000 0.217 315 G HA3 -0.294 3.652 3.960 -0.023 0.000 0.217 315 G C 1.987 176.922 174.900 0.060 0.000 1.183 315 G CA 0.779 45.959 45.100 0.132 0.000 0.776 315 G HN 0.497 nan 8.290 nan 0.000 0.552 316 G N 0.896 109.720 108.800 0.040 0.000 2.476 316 G HA2 -0.199 3.747 3.960 -0.023 0.000 0.218 316 G HA3 -0.199 3.747 3.960 -0.023 0.000 0.218 316 G C 1.822 176.725 174.900 0.005 0.000 1.164 316 G CA 0.930 46.035 45.100 0.008 0.000 0.768 316 G HN 0.424 nan 8.290 nan 0.000 0.560 317 L N 0.076 121.316 121.223 0.028 0.000 1.971 317 L HA -0.121 4.205 4.340 -0.023 0.000 0.215 317 L C 2.946 179.804 176.870 -0.020 0.000 1.072 317 L CA 1.482 56.320 54.840 -0.003 0.000 0.758 317 L CB -0.448 41.605 42.059 -0.010 0.000 0.889 317 L HN 0.088 nan 8.230 nan 0.000 0.433 318 K N 0.106 120.505 120.400 -0.001 0.000 2.281 318 K HA -0.115 4.191 4.320 -0.023 0.000 0.203 318 K C 1.177 177.769 176.600 -0.014 0.000 1.046 318 K CA 0.999 57.281 56.287 -0.008 0.000 0.938 318 K CB -0.407 32.100 32.500 0.011 0.000 0.737 318 K HN 0.433 nan 8.250 nan 0.000 0.458 319 N N 0.482 119.171 118.700 -0.019 0.000 2.200 319 N HA 0.035 4.761 4.740 -0.023 0.000 0.224 319 N C -0.544 174.941 175.510 -0.041 0.000 1.179 319 N CA -0.098 52.933 53.050 -0.031 0.000 0.877 319 N CB 0.719 39.182 38.487 -0.041 0.000 1.072 319 N HN -0.043 nan 8.380 nan 0.000 0.519 320 R N -0.157 120.314 120.500 -0.048 0.000 3.627 320 R HA -0.124 4.202 4.340 -0.023 0.000 0.281 320 R C -0.655 175.611 176.300 -0.056 0.000 1.140 320 R CA 0.282 56.342 56.100 -0.066 0.000 0.761 320 R CB -2.783 27.473 30.300 -0.073 0.000 1.181 320 R HN 0.022 nan 8.270 nan 0.000 0.472 321 V N 0.219 120.105 119.914 -0.047 0.000 2.581 321 V HA 0.392 4.498 4.120 -0.023 0.000 0.303 321 V C 0.617 176.689 176.094 -0.036 0.000 1.041 321 V CA -0.635 61.637 62.300 -0.046 0.000 0.907 321 V CB 2.184 33.972 31.823 -0.058 0.000 0.994 321 V HN 0.268 nan 8.190 nan 0.000 0.442 322 S N 3.460 119.140 115.700 -0.033 0.000 2.422 322 S HA 0.521 4.977 4.470 -0.023 0.000 0.298 322 S C -0.576 174.010 174.600 -0.023 0.000 1.118 322 S CA -0.494 57.693 58.200 -0.021 0.000 1.083 322 S CB 0.703 63.892 63.200 -0.018 0.000 0.971 322 S HN 0.479 nan 8.310 nan 0.000 0.478 323 V N 6.851 126.756 119.914 -0.015 0.000 2.432 323 V HA 0.393 4.499 4.120 -0.023 0.000 0.275 323 V C 0.049 176.137 176.094 -0.011 0.000 1.043 323 V CA -0.846 61.441 62.300 -0.021 0.000 0.925 323 V CB 1.193 33.006 31.823 -0.017 0.000 0.985 323 V HN 0.806 nan 8.190 nan 0.000 0.466 324 N N 5.282 123.973 118.700 -0.016 0.000 2.469 324 N HA 0.459 5.185 4.740 -0.023 0.000 0.253 324 N C -0.735 174.771 175.510 -0.007 0.000 0.970 324 N CA -0.326 52.720 53.050 -0.007 0.000 0.940 324 N CB 2.247 40.731 38.487 -0.005 0.000 1.128 324 N HN 0.536 nan 8.380 nan 0.000 0.503 325 I N 1.698 122.268 120.570 -0.001 0.000 2.322 325 I HA 0.084 4.240 4.170 -0.023 0.000 0.292 325 I C 0.895 177.012 176.117 0.001 0.000 1.060 325 I CA -0.103 61.197 61.300 -0.000 0.000 1.309 325 I CB 0.559 38.560 38.000 0.002 0.000 1.415 325 I HN 0.091 nan 8.210 nan 0.000 0.492 326 K N 7.853 128.251 120.400 -0.002 0.000 2.267 326 K HA 0.385 4.691 4.320 -0.023 0.000 0.282 326 K C -0.652 175.944 176.600 -0.006 0.000 1.078 326 K CA -0.557 55.730 56.287 0.001 0.000 0.903 326 K CB 0.679 33.181 32.500 0.004 0.000 1.111 326 K HN 0.590 nan 8.250 nan 0.000 0.475 327 L N 6.688 127.912 121.223 0.001 0.000 2.360 327 L HA 0.297 4.623 4.340 -0.023 0.000 0.276 327 L C 0.039 176.909 176.870 -0.000 0.000 1.121 327 L CA -0.110 54.730 54.840 -0.000 0.000 0.845 327 L CB 0.456 42.532 42.059 0.029 0.000 1.143 327 L HN 0.496 nan 8.230 nan 0.000 0.452 328 I N 2.728 123.289 120.570 -0.015 0.000 2.478 328 I HA 0.201 4.357 4.170 -0.023 0.000 0.287 328 I C -0.548 175.560 176.117 -0.015 0.000 1.042 328 I CA -0.693 60.599 61.300 -0.014 0.000 1.067 328 I CB 2.272 40.261 38.000 -0.018 0.000 1.233 328 I HN 0.461 nan 8.210 nan 0.000 0.431 329 D N 4.345 124.741 120.400 -0.007 0.000 2.317 329 D HA 0.127 4.753 4.640 -0.023 0.000 0.252 329 D C 1.128 177.409 176.300 -0.033 0.000 1.174 329 D CA 0.058 54.052 54.000 -0.010 0.000 0.866 329 D CB 1.515 42.316 40.800 0.002 0.000 1.127 329 D HN 0.587 nan 8.370 nan 0.000 0.467 330 S N 4.070 119.741 115.700 -0.048 0.000 2.372 330 S HA -0.281 4.175 4.470 -0.023 0.000 0.227 330 S C 1.781 176.341 174.600 -0.067 0.000 1.044 330 S CA 0.851 59.013 58.200 -0.063 0.000 1.050 330 S CB -0.228 62.923 63.200 -0.082 0.000 0.901 330 S HN 0.608 nan 8.310 nan 0.000 0.447 331 Q N 1.460 121.221 119.800 -0.065 0.000 1.991 331 Q HA -0.255 4.072 4.340 -0.023 0.000 0.213 331 Q C 1.804 177.770 176.000 -0.056 0.000 1.022 331 Q CA 2.152 57.918 55.803 -0.063 0.000 0.877 331 Q CB -0.994 27.718 28.738 -0.045 0.000 0.970 331 Q HN 0.540 nan 8.270 nan 0.000 0.414 332 D N -0.197 120.177 120.400 -0.044 0.000 2.280 332 D HA -0.119 4.507 4.640 -0.023 0.000 0.206 332 D C 1.936 178.202 176.300 -0.056 0.000 0.988 332 D CA 0.709 54.683 54.000 -0.043 0.000 0.886 332 D CB -0.184 40.597 40.800 -0.033 0.000 0.914 332 D HN 0.105 nan 8.370 nan 0.000 0.473 333 V N 1.558 121.434 119.914 -0.063 0.000 2.283 333 V HA -0.204 3.902 4.120 -0.023 0.000 0.243 333 V C 2.405 178.452 176.094 -0.079 0.000 1.039 333 V CA 1.857 64.111 62.300 -0.077 0.000 1.016 333 V CB -0.621 31.158 31.823 -0.073 0.000 0.650 333 V HN 0.328 nan 8.190 nan 0.000 0.449 334 E N -0.091 120.064 120.200 -0.075 0.000 2.204 334 E HA -0.181 4.155 4.350 -0.023 0.000 0.194 334 E C 2.004 178.566 176.600 -0.063 0.000 0.989 334 E CA 1.712 58.069 56.400 -0.073 0.000 0.824 334 E CB -0.518 29.130 29.700 -0.085 0.000 0.756 334 E HN 0.522 nan 8.360 nan 0.000 0.477 335 T N 1.082 115.600 114.554 -0.060 0.000 2.706 335 T HA 0.002 4.338 4.350 -0.023 0.000 0.255 335 T C 1.790 176.462 174.700 -0.048 0.000 1.048 335 T CA 1.014 63.084 62.100 -0.049 0.000 1.153 335 T CB 0.007 68.849 68.868 -0.043 0.000 0.865 335 T HN 0.168 nan 8.240 nan 0.000 0.414 336 R N 0.583 121.051 120.500 -0.053 0.000 2.312 336 R HA 0.396 4.722 4.340 -0.023 0.000 0.205 336 R C 1.128 177.385 176.300 -0.071 0.000 0.904 336 R CA 0.331 56.398 56.100 -0.054 0.000 1.052 336 R CB 0.324 30.595 30.300 -0.049 0.000 1.014 336 R HN 0.471 nan 8.270 nan 0.000 0.503 337 G N 0.271 109.018 108.800 -0.087 0.000 2.756 337 G HA2 -0.253 3.693 3.960 -0.023 0.000 0.678 337 G HA3 -0.253 3.693 3.960 -0.023 0.000 0.678 337 G C 0.493 175.286 174.900 -0.178 0.000 1.349 337 G CA -0.458 44.572 45.100 -0.116 0.000 0.847 337 G HN -0.084 nan 8.290 nan 0.000 0.548 338 V N 0.471 120.229 119.914 -0.260 0.000 2.660 338 V HA -0.173 3.933 4.120 -0.023 0.000 0.257 338 V C 2.740 178.561 176.094 -0.456 0.000 1.088 338 V CA 3.032 65.028 62.300 -0.507 0.000 1.106 338 V CB -0.584 30.791 31.823 -0.746 0.000 0.686 338 V HN 0.885 nan 8.190 nan 0.000 0.481 339 E N 0.641 120.691 120.200 -0.250 0.000 2.172 339 E HA -0.287 4.049 4.350 -0.023 0.000 0.213 339 E C 1.700 178.219 176.600 -0.135 0.000 1.051 339 E CA 2.334 58.642 56.400 -0.153 0.000 0.860 339 E CB -0.486 29.162 29.700 -0.087 0.000 0.755 339 E HN 0.730 nan 8.360 nan 0.000 0.462 340 I N -0.207 120.279 120.570 -0.139 0.000 2.454 340 I HA -0.218 3.938 4.170 -0.023 0.000 0.254 340 I C 1.854 177.925 176.117 -0.077 0.000 1.156 340 I CA 0.716 61.962 61.300 -0.089 0.000 1.433 340 I CB -0.349 37.606 38.000 -0.074 0.000 1.082 340 I HN 0.036 nan 8.210 nan 0.000 0.432 341 L N 1.138 122.259 121.223 -0.171 0.000 2.675 341 L HA 0.014 4.340 4.340 -0.023 0.000 0.238 341 L C 1.438 178.408 176.870 0.168 0.000 1.155 341 L CA -0.066 54.754 54.840 -0.034 0.000 0.881 341 L CB -1.297 40.680 42.059 -0.136 0.000 1.008 341 L HN 0.214 nan 8.230 nan 0.000 0.443 342 K N 0.682 121.127 120.400 0.075 0.000 2.298 342 K HA 0.496 4.802 4.320 -0.023 0.000 0.280 342 K C 1.084 177.754 176.600 0.117 0.000 1.032 342 K CA 0.157 56.531 56.287 0.144 0.000 0.958 342 K CB 0.415 nan 32.500 nan 0.000 0.978 342 K HN 0.350 nan 8.250 nan 0.000 0.472 343 G N 0.662 109.548 108.800 0.143 0.000 2.165 343 G HA2 -0.136 3.810 3.960 -0.023 0.000 0.226 343 G HA3 -0.136 3.810 3.960 -0.023 0.000 0.226 343 G C -0.156 174.803 174.900 0.099 0.000 1.035 343 G CA 0.157 45.325 45.100 0.112 0.000 0.744 343 G HN 0.708 nan 8.290 nan 0.000 0.501 344 L N -0.496 120.792 121.223 0.108 0.000 2.342 344 L HA 0.535 4.861 4.340 -0.023 0.000 0.271 344 L C 0.406 177.235 176.870 -0.068 0.000 1.008 344 L CA -1.101 53.756 54.840 0.027 0.000 0.818 344 L CB 1.515 43.587 42.059 0.022 0.000 1.296 344 L HN -0.049 nan 8.230 nan 0.000 0.427 345 D N 1.138 121.465 120.400 -0.123 0.000 2.327 345 D HA 0.256 4.882 4.640 -0.023 0.000 0.205 345 D C 0.365 176.324 176.300 -0.569 0.000 0.989 345 D CA 0.616 54.477 54.000 -0.231 0.000 0.873 345 D CB 1.279 42.062 40.800 -0.029 0.000 0.955 345 D HN 0.580 nan 8.370 nan 0.000 0.515 346 A N -0.042 122.546 122.820 -0.387 0.000 2.566 346 A HA 0.650 4.956 4.320 -0.023 0.000 0.290 346 A C -1.743 175.804 177.584 -0.063 0.000 1.071 346 A CA -0.580 51.260 52.037 -0.328 0.000 0.658 346 A CB 1.029 19.631 19.000 -0.664 0.000 1.285 346 A HN 0.000 nan 8.150 nan 0.000 0.427 347 I N 0.340 120.996 120.570 0.143 0.000 2.619 347 I HA 0.550 4.706 4.170 -0.023 0.000 0.292 347 I C -1.073 175.009 176.117 -0.058 0.000 1.100 347 I CA -0.498 60.872 61.300 0.117 0.000 1.043 347 I CB 2.143 40.238 38.000 0.158 0.000 1.239 347 I HN 0.644 nan 8.210 nan 0.000 0.420 348 L N 6.774 127.909 121.223 -0.147 0.000 2.362 348 L HA 0.686 5.012 4.340 -0.023 0.000 0.275 348 L C -1.468 175.191 176.870 -0.352 0.000 0.998 348 L CA -0.631 53.961 54.840 -0.413 0.000 0.820 348 L CB 1.840 43.708 42.059 -0.318 0.000 1.270 348 L HN 0.310 nan 8.230 nan 0.000 0.415 349 V N 6.969 126.607 119.914 -0.459 0.000 2.349 349 V HA 0.430 4.536 4.120 -0.023 0.000 0.284 349 V C -2.036 173.911 176.094 -0.245 0.000 1.014 349 V CA -1.419 60.729 62.300 -0.252 0.000 0.826 349 V CB 1.547 33.327 31.823 -0.072 0.000 1.009 349 V HN 0.650 nan 8.190 nan 0.000 0.431 350 P HA 0.289 nan 4.420 nan 0.000 0.279 350 P C 0.353 177.634 177.300 -0.031 0.000 1.282 350 P CA 0.017 63.041 63.100 -0.127 0.000 0.788 350 P CB 0.862 32.470 31.700 -0.154 0.000 1.139 351 G N -1.894 106.945 108.800 0.064 0.000 2.621 351 G HA2 0.560 4.506 3.960 -0.023 0.000 0.271 351 G HA3 0.560 4.506 3.960 -0.023 0.000 0.271 351 G C -0.100 174.863 174.900 0.105 0.000 1.236 351 G CA -0.139 44.991 45.100 0.050 0.000 0.958 351 G HN 0.788 nan 8.290 nan 0.000 0.512 352 G N -2.181 106.560 108.800 -0.098 0.000 2.323 352 G HA2 0.501 4.447 3.960 -0.023 0.000 0.291 352 G HA3 0.501 4.447 3.960 -0.023 0.000 0.291 352 G C -1.942 172.708 174.900 -0.416 0.000 1.278 352 G CA -0.871 44.221 45.100 -0.013 0.000 0.860 352 G HN 0.709 nan 8.290 nan 0.000 0.504 353 F N -0.499 119.676 119.950 0.375 0.000 2.615 353 F HA 0.740 5.253 4.527 -0.023 0.000 0.312 353 F C 0.773 176.764 175.800 0.318 0.000 1.119 353 F CA 0.591 58.798 58.000 0.346 0.000 0.979 353 F CB 2.162 41.349 39.000 0.312 0.000 1.266 353 F HN 1.416 nan 8.300 nan 0.000 0.444 354 G N 1.109 110.249 108.800 0.568 0.000 2.033 354 G HA2 0.151 4.097 3.960 -0.023 0.000 0.088 354 G HA3 0.151 4.097 3.960 -0.023 0.000 0.088 354 G C -0.575 174.692 174.900 0.612 0.000 0.790 354 G CA 0.625 45.995 45.100 0.449 0.000 1.131 354 G HN 1.008 nan 8.290 nan 0.000 0.361 355 Y N -0.356 120.085 120.300 0.235 0.000 3.893 355 Y HA -0.084 4.452 4.550 -0.023 0.000 0.359 355 Y C 1.823 177.719 175.900 -0.007 0.000 1.169 355 Y CA 1.348 59.489 58.100 0.069 0.000 1.290 355 Y CB -1.095 37.540 38.460 0.291 0.000 0.600 355 Y HN 0.452 nan 8.280 nan 0.000 0.338 356 R N 0.373 120.912 120.500 0.065 0.000 2.189 356 R HA -0.233 4.093 4.340 -0.023 0.000 0.252 356 R C 1.818 178.026 176.300 -0.155 0.000 1.134 356 R CA 2.576 58.657 56.100 -0.031 0.000 0.954 356 R CB -0.777 29.533 30.300 0.017 0.000 0.890 356 R HN 0.589 nan 8.270 nan 0.000 0.443 357 G N -2.148 106.548 108.800 -0.173 0.000 2.727 357 G HA2 0.025 3.971 3.960 -0.023 0.000 0.207 357 G HA3 0.025 3.971 3.960 -0.023 0.000 0.207 357 G C 1.176 175.930 174.900 -0.243 0.000 1.060 357 G CA 0.215 45.197 45.100 -0.196 0.000 0.814 357 G HN 0.146 nan 8.290 nan 0.000 0.576 358 V N 1.431 121.182 119.914 -0.272 0.000 2.314 358 V HA -0.400 3.707 4.120 -0.023 0.000 0.256 358 V C 2.823 178.786 176.094 -0.218 0.000 1.090 358 V CA 2.771 64.897 62.300 -0.290 0.000 1.105 358 V CB -0.384 31.181 31.823 -0.430 0.000 0.785 358 V HN 0.366 nan 8.190 nan 0.000 0.464 359 E N -0.035 120.003 120.200 -0.270 0.000 2.048 359 E HA -0.248 4.088 4.350 -0.023 0.000 0.202 359 E C 2.308 178.851 176.600 -0.096 0.000 1.021 359 E CA 1.838 58.143 56.400 -0.159 0.000 0.825 359 E CB -1.077 28.515 29.700 -0.180 0.000 0.756 359 E HN 0.700 nan 8.360 nan 0.000 0.454 360 G N 1.505 110.238 108.800 -0.113 0.000 2.529 360 G HA2 -0.320 3.626 3.960 -0.023 0.000 0.219 360 G HA3 -0.320 3.626 3.960 -0.023 0.000 0.219 360 G C 1.723 176.598 174.900 -0.041 0.000 1.177 360 G CA 1.901 46.956 45.100 -0.076 0.000 0.773 360 G HN 0.184 nan 8.290 nan 0.000 0.573 361 M N 0.006 119.575 119.600 -0.051 0.000 2.163 361 M HA -0.107 4.359 4.480 -0.023 0.000 0.258 361 M C 2.656 178.972 176.300 0.027 0.000 1.071 361 M CA 1.607 56.900 55.300 -0.011 0.000 1.093 361 M CB -0.848 31.727 32.600 -0.042 0.000 1.285 361 M HN 0.198 nan 8.290 nan 0.000 0.420 362 I N 0.274 120.847 120.570 0.006 0.000 2.091 362 I HA -0.359 3.797 4.170 -0.023 0.000 0.240 362 I C 2.568 178.736 176.117 0.084 0.000 1.046 362 I CA 1.973 63.300 61.300 0.044 0.000 1.306 362 I CB -0.938 37.086 38.000 0.041 0.000 1.018 362 I HN 0.386 nan 8.210 nan 0.000 0.404 363 T N -0.067 114.523 114.554 0.059 0.000 2.685 363 T HA -0.247 4.089 4.350 -0.023 0.000 0.268 363 T C 1.868 176.624 174.700 0.093 0.000 1.034 363 T CA 2.229 64.359 62.100 0.051 0.000 1.149 363 T CB -0.466 68.400 68.868 -0.004 0.000 0.860 363 T HN 0.449 nan 8.240 nan 0.000 0.449 364 T N 1.766 116.379 114.554 0.098 0.000 2.674 364 T HA -0.039 4.297 4.350 -0.023 0.000 0.265 364 T C 2.372 177.205 174.700 0.221 0.000 1.039 364 T CA 1.240 63.446 62.100 0.176 0.000 1.150 364 T CB -0.680 68.275 68.868 0.145 0.000 0.864 364 T HN 0.457 nan 8.240 nan 0.000 0.427 365 A N 1.985 124.884 122.820 0.131 0.000 1.873 365 A HA -0.235 4.071 4.320 -0.023 0.000 0.218 365 A C 2.265 179.870 177.584 0.035 0.000 1.193 365 A CA 2.346 54.361 52.037 -0.036 0.000 0.629 365 A CB -0.820 18.130 19.000 -0.084 0.000 0.826 365 A HN 0.479 nan 8.150 nan 0.000 0.447 366 R N -1.675 118.877 120.500 0.085 0.000 2.112 366 R HA -0.240 4.086 4.340 -0.023 0.000 0.242 366 R C 1.998 178.361 176.300 0.105 0.000 1.137 366 R CA 2.318 58.468 56.100 0.082 0.000 0.944 366 R CB -0.643 29.701 30.300 0.073 0.000 0.857 366 R HN 0.487 nan 8.270 nan 0.000 0.435 367 F N 1.009 120.967 119.950 0.014 0.000 2.065 367 F HA -0.228 4.285 4.527 -0.023 0.000 0.298 367 F C 2.222 178.076 175.800 0.089 0.000 1.112 367 F CA 1.888 59.910 58.000 0.037 0.000 1.212 367 F CB -0.807 38.216 39.000 0.037 0.000 0.975 367 F HN 0.199 nan 8.300 nan 0.000 0.476 368 A N 0.313 123.175 122.820 0.070 0.000 1.933 368 A HA -0.197 4.109 4.320 -0.023 0.000 0.218 368 A C 2.426 180.102 177.584 0.153 0.000 1.175 368 A CA 1.722 53.811 52.037 0.087 0.000 0.628 368 A CB -0.851 18.353 19.000 0.339 0.000 0.814 368 A HN 0.505 nan 8.150 nan 0.000 0.444 369 R N -0.252 120.282 120.500 0.057 0.000 2.061 369 R HA -0.146 4.180 4.340 -0.023 0.000 0.230 369 R C 2.080 178.364 176.300 -0.027 0.000 1.140 369 R CA 1.781 57.786 56.100 -0.157 0.000 0.940 369 R CB -0.383 29.679 30.300 -0.396 0.000 0.839 369 R HN 0.620 nan 8.270 nan 0.000 0.429 370 E N 0.222 120.389 120.200 -0.054 0.000 2.058 370 E HA -0.156 4.180 4.350 -0.023 0.000 0.194 370 E C 1.173 177.746 176.600 -0.044 0.000 0.997 370 E CA 1.403 57.777 56.400 -0.044 0.000 0.801 370 E CB -0.038 29.640 29.700 -0.037 0.000 0.746 370 E HN 0.436 nan 8.360 nan 0.000 0.450 371 N N 1.386 120.000 118.700 -0.142 0.000 2.362 371 N HA -0.020 4.707 4.740 -0.023 0.000 0.204 371 N C -0.595 174.921 175.510 0.009 0.000 1.166 371 N CA 0.111 53.070 53.050 -0.152 0.000 0.831 371 N CB 0.194 38.409 38.487 -0.453 0.000 1.008 371 N HN 0.079 nan 8.380 nan 0.000 0.472 372 N N 0.970 119.743 118.700 0.122 0.000 2.688 372 N HA -0.183 4.543 4.740 -0.023 0.000 0.258 372 N C -0.987 174.616 175.510 0.156 0.000 1.016 372 N CA 0.789 53.908 53.050 0.115 0.000 0.747 372 N CB -1.392 37.096 38.487 0.002 0.000 0.895 372 N HN 0.449 nan 8.380 nan 0.000 0.543 373 I N 0.527 121.281 120.570 0.306 0.000 2.378 373 I HA 0.306 4.462 4.170 -0.023 0.000 0.291 373 I C -2.014 174.300 176.117 0.330 0.000 0.992 373 I CA -2.271 59.025 61.300 -0.007 0.000 1.154 373 I CB 1.870 39.750 38.000 -0.201 0.000 1.315 373 I HN -0.152 nan 8.210 nan 0.000 0.448 374 P HA -0.092 nan 4.420 nan 0.000 0.258 374 P C -1.390 176.208 177.300 0.497 0.000 1.172 374 P CA 0.528 63.874 63.100 0.411 0.000 0.762 374 P CB -0.024 31.658 31.700 -0.029 0.000 0.764 375 Y N 4.984 125.555 120.300 0.452 0.000 2.462 375 Y HA 0.626 5.163 4.550 -0.023 0.000 0.346 375 Y C -1.514 174.325 175.900 -0.102 0.000 0.976 375 Y CA -1.469 56.652 58.100 0.035 0.000 1.044 375 Y CB 1.688 39.787 38.460 -0.602 0.000 1.230 375 Y HN 0.234 nan 8.280 nan 0.000 0.455 376 L N 5.654 126.177 121.223 -1.165 0.000 2.404 376 L HA 0.849 5.175 4.340 -0.023 0.000 0.272 376 L C -0.971 175.128 176.870 -1.286 0.000 0.980 376 L CA -0.245 53.898 54.840 -1.161 0.000 0.836 376 L CB 1.670 42.689 42.059 -1.733 0.000 1.238 376 L HN 0.783 nan 8.230 nan 0.000 0.408 377 G N 6.063 114.387 108.800 -0.794 0.000 2.544 377 G HA2 0.661 4.607 3.960 -0.023 0.000 0.313 377 G HA3 0.661 4.607 3.960 -0.023 0.000 0.313 377 G C -1.112 173.568 174.900 -0.367 0.000 1.316 377 G CA -0.450 44.382 45.100 -0.446 0.000 0.944 377 G HN 0.578 nan 8.290 nan 0.000 0.489 378 I N 2.585 122.946 120.570 -0.349 0.000 2.433 378 I HA 0.262 4.418 4.170 -0.023 0.000 0.292 378 I C 1.457 177.378 176.117 -0.327 0.000 1.001 378 I CA -0.672 60.393 61.300 -0.391 0.000 1.119 378 I CB 1.465 39.242 38.000 -0.372 0.000 1.289 378 I HN 0.959 nan 8.210 nan 0.000 0.438 379 C N 5.586 124.650 119.300 -0.394 0.000 5.589 379 C HA -0.356 4.090 4.460 -0.023 0.000 0.312 379 C C 2.118 177.048 174.990 -0.099 0.000 2.311 379 C CA 1.492 60.362 59.018 -0.248 0.000 2.092 379 C CB -1.612 25.984 27.740 -0.241 0.000 3.233 379 C HN 0.936 nan 8.230 nan 0.000 0.428 380 L N 3.200 124.382 121.223 -0.069 0.000 2.081 380 L HA 0.148 4.474 4.340 -0.023 0.000 0.212 380 L C 2.691 179.548 176.870 -0.022 0.000 1.080 380 L CA 3.422 58.254 54.840 -0.014 0.000 0.754 380 L CB -1.483 40.557 42.059 -0.032 0.000 0.893 380 L HN 0.999 nan 8.230 nan 0.000 0.433 381 G N -0.851 107.909 108.800 -0.067 0.000 2.450 381 G HA2 -0.350 3.596 3.960 -0.023 0.000 0.220 381 G HA3 -0.350 3.596 3.960 -0.023 0.000 0.220 381 G C 1.609 176.512 174.900 0.005 0.000 1.130 381 G CA 1.081 46.151 45.100 -0.050 0.000 0.760 381 G HN 0.523 nan 8.290 nan 0.000 0.557 382 M N 0.124 119.693 119.600 -0.051 0.000 2.134 382 M HA -0.040 4.426 4.480 -0.023 0.000 0.262 382 M C 2.770 179.083 176.300 0.022 0.000 1.076 382 M CA 1.472 56.754 55.300 -0.029 0.000 1.143 382 M CB -0.266 32.276 32.600 -0.097 0.000 1.346 382 M HN 0.336 nan 8.290 nan 0.000 0.421 383 Q N 0.071 119.897 119.800 0.043 0.000 1.985 383 Q HA -0.210 4.116 4.340 -0.023 0.000 0.207 383 Q C 2.015 178.047 176.000 0.054 0.000 0.996 383 Q CA 2.130 57.979 55.803 0.077 0.000 0.851 383 Q CB -1.202 27.619 28.738 0.138 0.000 0.921 383 Q HN 0.439 nan 8.270 nan 0.000 0.418 384 V N 1.518 121.455 119.914 0.038 0.000 2.357 384 V HA -0.377 3.729 4.120 -0.023 0.000 0.257 384 V C 2.378 178.491 176.094 0.033 0.000 1.082 384 V CA 2.109 64.421 62.300 0.020 0.000 1.078 384 V CB -1.072 30.764 31.823 0.022 0.000 0.663 384 V HN 0.535 nan 8.190 nan 0.000 0.455 385 A N -0.868 121.980 122.820 0.046 0.000 1.854 385 A HA -0.120 4.186 4.320 -0.023 0.000 0.214 385 A C 2.098 179.704 177.584 0.036 0.000 1.192 385 A CA 1.685 53.748 52.037 0.043 0.000 0.611 385 A CB -0.621 18.430 19.000 0.085 0.000 0.832 385 A HN 0.411 nan 8.150 nan 0.000 0.442 386 L N 0.088 121.326 121.223 0.025 0.000 1.991 386 L HA -0.250 4.076 4.340 -0.023 0.000 0.221 386 L C 2.254 179.137 176.870 0.022 0.000 1.079 386 L CA 2.156 57.005 54.840 0.014 0.000 0.778 386 L CB -0.722 41.347 42.059 0.017 0.000 0.893 386 L HN 0.458 nan 8.230 nan 0.000 0.437 387 I N -0.183 120.392 120.570 0.008 0.000 2.039 387 I HA -0.410 3.746 4.170 -0.023 0.000 0.233 387 I C 2.348 178.401 176.117 -0.107 0.000 1.040 387 I CA 2.200 63.480 61.300 -0.033 0.000 1.308 387 I CB -0.582 37.412 38.000 -0.010 0.000 1.035 387 I HN 0.569 nan 8.210 nan 0.000 0.392 388 D N -0.671 119.689 120.400 -0.066 0.000 2.191 388 D HA -0.365 4.261 4.640 -0.023 0.000 0.190 388 D C 2.201 178.402 176.300 -0.165 0.000 1.007 388 D CA 2.043 55.989 54.000 -0.090 0.000 0.865 388 D CB -0.414 40.444 40.800 0.096 0.000 0.929 388 D HN 0.438 nan 8.370 nan 0.000 0.447 389 Y N 0.550 120.744 120.300 -0.177 0.000 2.114 389 Y HA -0.117 4.419 4.550 -0.023 0.000 0.284 389 Y C 2.510 178.286 175.900 -0.206 0.000 1.143 389 Y CA 2.029 60.022 58.100 -0.177 0.000 1.135 389 Y CB -0.875 37.485 38.460 -0.167 0.000 0.980 389 Y HN 0.132 nan 8.280 nan 0.000 0.499 390 A N 0.492 123.280 122.820 -0.054 0.000 1.883 390 A HA -0.224 4.082 4.320 -0.023 0.000 0.217 390 A C 2.343 179.741 177.584 -0.309 0.000 1.186 390 A CA 1.952 53.888 52.037 -0.168 0.000 0.624 390 A CB -0.649 18.272 19.000 -0.132 0.000 0.822 390 A HN 0.489 nan 8.150 nan 0.000 0.444 391 R N -1.003 119.266 120.500 -0.385 0.000 2.075 391 R HA -0.136 4.190 4.340 -0.023 0.000 0.230 391 R C 1.741 177.794 176.300 -0.411 0.000 1.140 391 R CA 1.909 57.724 56.100 -0.475 0.000 0.928 391 R CB -0.661 29.195 30.300 -0.740 0.000 0.834 391 R HN 0.833 nan 8.270 nan 0.000 0.429 392 H N -0.853 118.122 119.070 -0.158 0.000 2.533 392 H HA 0.129 4.671 4.556 -0.023 0.000 0.271 392 H C 1.131 176.300 175.328 -0.265 0.000 1.000 392 H CA -0.206 55.737 56.048 -0.174 0.000 1.149 392 H CB 0.522 30.205 29.762 -0.132 0.000 1.375 392 H HN -0.020 nan 8.280 nan 0.000 0.582 393 V N -0.784 118.929 119.914 -0.336 0.000 3.165 393 V HA 0.195 4.301 4.120 -0.023 0.000 0.231 393 V C 1.998 177.875 176.094 -0.362 0.000 1.365 393 V CA 0.813 62.831 62.300 -0.470 0.000 1.286 393 V CB 0.234 31.431 31.823 -1.043 0.000 1.081 393 V HN 0.427 nan 8.190 nan 0.000 0.477 394 A N -0.283 122.331 122.820 -0.343 0.000 2.132 394 A HA 0.123 4.429 4.320 -0.023 0.000 0.213 394 A C 0.780 178.223 177.584 -0.235 0.000 1.154 394 A CA 0.483 52.374 52.037 -0.243 0.000 0.753 394 A CB -0.255 18.616 19.000 -0.216 0.000 0.826 394 A HN 0.608 nan 8.150 nan 0.000 0.469 395 N N -0.634 117.921 118.700 -0.241 0.000 2.699 395 N HA -0.133 4.593 4.740 -0.023 0.000 0.257 395 N C -0.039 175.307 175.510 -0.274 0.000 1.077 395 N CA 1.112 54.046 53.050 -0.193 0.000 0.702 395 N CB -1.391 37.025 38.487 -0.119 0.000 0.886 395 N HN 0.611 nan 8.380 nan 0.000 0.549 396 M N -0.033 119.324 119.600 -0.406 0.000 2.738 396 M HA 0.033 4.500 4.480 -0.023 0.000 0.295 396 M C 0.967 177.112 176.300 -0.259 0.000 1.266 396 M CA -0.037 54.794 55.300 -0.782 0.000 0.985 396 M CB -0.013 31.962 32.600 -1.042 0.000 1.365 396 M HN 0.135 nan 8.290 nan 0.000 0.492 397 E N 1.306 121.448 120.200 -0.096 0.000 3.848 397 E HA -0.323 4.013 4.350 -0.023 0.000 0.326 397 E C 0.573 177.191 176.600 0.030 0.000 1.382 397 E CA 2.283 58.695 56.400 0.021 0.000 1.859 397 E CB -0.780 28.983 29.700 0.105 0.000 1.665 397 E HN 0.530 nan 8.360 nan 0.000 0.299 398 N N 1.222 119.983 118.700 0.102 0.000 2.538 398 N HA 0.444 5.170 4.740 -0.023 0.000 0.291 398 N C -0.903 174.664 175.510 0.096 0.000 1.323 398 N CA 0.437 53.538 53.050 0.084 0.000 0.934 398 N CB 0.746 39.285 38.487 0.088 0.000 1.255 398 N HN 0.371 nan 8.380 nan 0.000 0.509 399 A N 1.056 123.914 122.820 0.063 0.000 2.613 399 A HA 0.027 4.333 4.320 -0.023 0.000 0.230 399 A C 0.464 178.088 177.584 0.067 0.000 1.051 399 A CA 0.793 52.871 52.037 0.069 0.000 0.754 399 A CB 0.085 19.057 19.000 -0.047 0.000 0.979 399 A HN 0.638 nan 8.150 nan 0.000 0.510 400 N N -1.656 117.100 118.700 0.094 0.000 3.387 400 N HA 0.483 5.209 4.740 -0.023 0.000 0.294 400 N C -1.417 174.173 175.510 0.132 0.000 1.519 400 N CA 0.118 53.233 53.050 0.107 0.000 0.875 400 N CB 1.414 39.959 38.487 0.097 0.000 1.657 400 N HN 0.808 nan 8.380 nan 0.000 0.527 401 S N -0.667 115.151 115.700 0.196 0.000 2.519 401 S HA 0.248 4.704 4.470 -0.023 0.000 0.309 401 S C 1.014 175.566 174.600 -0.081 0.000 1.100 401 S CA 0.044 58.315 58.200 0.117 0.000 1.059 401 S CB 0.937 64.258 63.200 0.202 0.000 1.008 401 S HN 0.656 nan 8.310 nan 0.000 0.478 402 T N 1.175 115.694 114.554 -0.058 0.000 2.896 402 T HA -0.175 4.161 4.350 -0.023 0.000 0.270 402 T C 1.232 175.743 174.700 -0.316 0.000 1.104 402 T CA 1.813 63.875 62.100 -0.062 0.000 1.115 402 T CB -0.528 68.427 68.868 0.145 0.000 0.843 402 T HN 0.787 nan 8.240 nan 0.000 0.523 403 E N -0.262 119.380 120.200 -0.930 0.000 2.204 403 E HA -0.055 4.281 4.350 -0.023 0.000 0.194 403 E C 0.941 176.854 176.600 -1.145 0.000 0.989 403 E CA 1.047 56.641 56.400 -1.344 0.000 0.824 403 E CB -0.066 28.284 29.700 -2.249 0.000 0.756 403 E HN 0.819 nan 8.360 nan 0.000 0.477 404 F N -1.280 118.451 119.950 -0.365 0.000 2.727 404 F HA 0.211 4.723 4.527 -0.024 0.000 0.302 404 F C 0.324 175.797 175.800 -0.546 0.000 1.107 404 F CA -0.246 57.398 58.000 -0.592 0.000 1.277 404 F CB 1.227 39.607 39.000 -1.033 0.000 1.079 404 F HN -0.252 nan 8.300 nan 0.000 0.594 405 V N 1.905 121.709 119.914 -0.183 0.000 2.944 405 V HA 0.159 4.265 4.120 -0.023 0.000 0.259 405 V C -1.943 174.122 176.094 -0.049 0.000 0.849 405 V CA -1.005 61.234 62.300 -0.101 0.000 0.976 405 V CB 1.353 33.138 31.823 -0.064 0.000 0.997 405 V HN -0.157 nan 8.190 nan 0.000 0.498 406 P HA -0.114 nan 4.420 nan 0.000 0.227 406 P C 0.433 177.737 177.300 0.006 0.000 1.145 406 P CA 1.405 64.499 63.100 -0.009 0.000 0.769 406 P CB 0.009 31.707 31.700 -0.004 0.000 0.769 407 D N -2.289 118.111 120.400 0.001 0.000 2.720 407 D HA 0.063 4.689 4.640 -0.023 0.000 0.285 407 D C 0.138 176.437 176.300 -0.001 0.000 1.359 407 D CA -0.779 53.222 54.000 0.001 0.000 0.818 407 D CB -1.415 39.385 40.800 0.000 0.000 1.108 407 D HN 0.121 nan 8.370 nan 0.000 0.474 408 C N -0.898 118.406 119.300 0.008 0.000 2.649 408 C HA 0.364 4.810 4.460 -0.023 0.000 0.377 408 C C 1.878 176.852 174.990 -0.028 0.000 1.321 408 C CA -0.802 58.225 59.018 0.015 0.000 2.368 408 C CB 1.479 29.250 27.740 0.052 0.000 2.597 408 C HN 0.366 nan 8.230 nan 0.000 0.678 409 K N -0.065 120.297 120.400 -0.064 0.000 2.103 409 K HA -0.053 4.253 4.320 -0.023 0.000 0.204 409 K C -0.340 176.024 176.600 -0.394 0.000 1.052 409 K CA 1.300 57.436 56.287 -0.253 0.000 0.945 409 K CB -0.066 32.217 32.500 -0.362 0.000 0.722 409 K HN 0.811 nan 8.250 nan 0.000 0.443 410 Y N 1.498 121.798 120.300 -0.000 0.000 2.712 410 Y HA 0.285 4.821 4.550 -0.023 0.000 0.328 410 Y C -2.334 173.566 175.900 0.001 0.000 0.995 410 Y CA -2.905 55.190 58.100 -0.008 0.000 1.283 410 Y CB 1.534 39.983 38.460 -0.019 0.000 1.092 410 Y HN 0.078 nan 8.280 nan 0.000 0.519 411 P HA 0.078 nan 4.420 nan 0.000 0.213 411 P C 0.967 178.319 177.300 0.087 0.000 1.861 411 P CA -0.163 63.001 63.100 0.106 0.000 1.076 411 P CB 0.350 32.110 31.700 0.100 0.000 1.867 412 V N 0.795 120.759 119.914 0.083 0.000 2.469 412 V HA -0.100 4.006 4.120 -0.023 0.000 0.251 412 V C 0.860 176.978 176.094 0.039 0.000 1.064 412 V CA 1.278 63.596 62.300 0.030 0.000 1.066 412 V CB -0.888 30.951 31.823 0.026 0.000 0.667 412 V HN 0.065 nan 8.190 nan 0.000 0.461 413 V N 1.174 121.154 119.914 0.110 0.000 2.384 413 V HA 0.915 5.021 4.120 -0.023 0.000 0.287 413 V C 0.027 176.282 176.094 0.269 0.000 1.020 413 V CA 0.413 62.824 62.300 0.185 0.000 0.850 413 V CB 0.551 32.486 31.823 0.186 0.000 0.987 413 V HN 0.865 nan 8.190 nan 0.000 0.436 414 A N 4.535 127.618 122.820 0.438 0.000 2.586 414 A HA 0.780 5.086 4.320 -0.023 0.000 0.291 414 A C -1.258 176.625 177.584 0.498 0.000 1.062 414 A CA -0.743 51.624 52.037 0.550 0.000 0.666 414 A CB 0.837 20.119 19.000 0.470 0.000 1.281 414 A HN 0.644 nan 8.150 nan 0.000 0.421 415 L N 1.594 122.904 121.223 0.144 0.000 2.473 415 L HA 0.229 4.555 4.340 -0.023 0.000 0.268 415 L C 1.727 178.316 176.870 -0.470 0.000 1.215 415 L CA -0.296 54.398 54.840 -0.242 0.000 0.823 415 L CB 0.171 41.999 42.059 -0.385 0.000 1.099 415 L HN 0.757 nan 8.230 nan 0.000 0.483 416 I N 0.190 120.284 120.570 -0.794 0.000 2.091 416 I HA -0.321 3.835 4.170 -0.023 0.000 0.239 416 I C 2.598 178.167 176.117 -0.914 0.000 1.061 416 I CA 2.071 62.475 61.300 -1.493 0.000 1.317 416 I CB -0.746 36.626 38.000 -1.047 0.000 1.031 416 I HN 1.023 nan 8.210 nan 0.000 0.401 417 T N -0.652 113.614 114.554 -0.479 0.000 2.685 417 T HA -0.267 4.069 4.350 -0.023 0.000 0.268 417 T C 1.577 176.196 174.700 -0.134 0.000 1.034 417 T CA 1.944 63.893 62.100 -0.252 0.000 1.149 417 T CB -0.733 68.025 68.868 -0.183 0.000 0.860 417 T HN 0.476 nan 8.240 nan 0.000 0.449 418 E N -0.141 120.001 120.200 -0.097 0.000 2.204 418 E HA -0.039 4.297 4.350 -0.023 0.000 0.195 418 E C -0.001 176.715 176.600 0.193 0.000 0.990 418 E CA 0.088 56.519 56.400 0.053 0.000 0.821 418 E CB -0.244 29.514 29.700 0.096 0.000 0.750 418 E HN 0.578 nan 8.360 nan 0.000 0.477 419 W N 3.307 124.611 121.300 0.006 0.000 2.568 419 W HA -0.139 4.507 4.660 -0.023 0.000 0.343 419 W C 1.274 177.798 176.519 0.009 0.000 1.097 419 W CA 0.660 58.013 57.345 0.013 0.000 1.171 419 W CB -0.471 28.995 29.460 0.011 0.000 1.142 419 W HN 0.149 nan 8.180 nan 0.000 0.569 420 R N 1.238 121.862 120.500 0.207 0.000 2.962 420 R HA 0.562 4.888 4.340 -0.023 0.000 0.256 420 R C -0.977 175.346 176.300 0.039 0.000 1.199 420 R CA -0.911 55.249 56.100 0.100 0.000 1.012 420 R CB 1.244 31.585 30.300 0.070 0.000 1.289 420 R HN 0.127 nan 8.270 nan 0.000 0.462 421 D N -0.150 120.256 120.400 0.010 0.000 2.478 421 D HA 0.092 4.718 4.640 -0.023 0.000 0.263 421 D C 0.767 177.020 176.300 -0.079 0.000 1.153 421 D CA -0.303 53.686 54.000 -0.018 0.000 1.038 421 D CB 1.120 41.911 40.800 -0.015 0.000 1.120 421 D HN 0.572 nan 8.370 nan 0.000 0.564 422 E N 0.072 120.194 120.200 -0.130 0.000 2.371 422 E HA -0.085 4.251 4.350 -0.023 0.000 0.194 422 E C 0.529 176.978 176.600 -0.252 0.000 1.012 422 E CA 0.624 56.799 56.400 -0.374 0.000 0.860 422 E CB 0.113 29.497 29.700 -0.527 0.000 0.811 422 E HN 0.229 nan 8.360 nan 0.000 0.502 423 N N 0.985 119.611 118.700 -0.123 0.000 2.245 423 N HA 0.016 4.742 4.740 -0.023 0.000 0.185 423 N C 1.410 176.881 175.510 -0.064 0.000 1.036 423 N CA 2.037 55.039 53.050 -0.079 0.000 0.857 423 N CB 0.537 39.000 38.487 -0.040 0.000 1.015 423 N HN 0.460 nan 8.380 nan 0.000 0.436 424 G N -0.079 108.694 108.800 -0.045 0.000 3.288 424 G HA2 -0.125 3.821 3.960 -0.023 0.000 0.219 424 G HA3 -0.125 3.821 3.960 -0.023 0.000 0.219 424 G C -0.586 174.312 174.900 -0.003 0.000 0.944 424 G CA -0.607 44.478 45.100 -0.025 0.000 0.854 424 G HN 0.255 nan 8.290 nan 0.000 0.632 425 N N 0.225 118.925 118.700 -0.001 0.000 2.441 425 N HA 0.441 5.167 4.740 -0.023 0.000 0.251 425 N C 0.592 176.121 175.510 0.032 0.000 1.242 425 N CA 0.207 53.265 53.050 0.013 0.000 0.898 425 N CB 1.685 40.179 38.487 0.011 0.000 1.100 425 N HN 0.105 nan 8.380 nan 0.000 0.443 426 V N 0.015 119.953 119.914 0.039 0.000 4.247 426 V HA 0.384 4.490 4.120 -0.023 0.000 0.284 426 V C -0.130 176.006 176.094 0.069 0.000 1.349 426 V CA -0.637 61.701 62.300 0.063 0.000 0.885 426 V CB 1.150 33.005 31.823 0.054 0.000 1.296 426 V HN 0.758 nan 8.190 nan 0.000 0.458 427 E N -0.120 120.127 120.200 0.079 0.000 2.275 427 E HA 0.521 4.857 4.350 -0.023 0.000 0.270 427 E C -0.778 175.853 176.600 0.051 0.000 0.882 427 E CA -0.569 55.879 56.400 0.079 0.000 0.758 427 E CB 2.140 31.919 29.700 0.132 0.000 1.195 427 E HN 0.212 nan 8.360 nan 0.000 0.419 439 M N 3.887 123.429 119.600 -0.097 0.000 2.292 439 M HA 0.425 4.891 4.480 -0.023 0.000 0.342 439 M C -0.175 176.135 176.300 0.017 0.000 1.538 439 M CA -0.597 54.684 55.300 -0.031 0.000 1.163 439 M CB -0.155 32.450 32.600 0.008 0.000 1.823 439 M HN 0.098 nan 8.290 nan 0.000 0.462 440 R N 5.802 126.337 120.500 0.058 0.000 2.216 440 R HA 0.528 4.854 4.340 -0.023 0.000 0.332 440 R C -1.187 175.288 176.300 0.292 0.000 1.056 440 R CA -0.330 55.861 56.100 0.153 0.000 0.901 440 R CB 0.412 30.799 30.300 0.144 0.000 1.039 440 R HN 0.724 nan 8.270 nan 0.000 0.456 441 L N 1.733 123.087 121.223 0.217 0.000 2.408 441 L HA 0.544 4.870 4.340 -0.023 0.000 0.268 441 L C 0.475 177.458 176.870 0.189 0.000 0.986 441 L CA -0.277 54.692 54.840 0.216 0.000 0.820 441 L CB 2.253 44.396 42.059 0.141 0.000 1.303 441 L HN 0.905 nan 8.230 nan 0.000 0.411 442 G N 1.888 110.796 108.800 0.180 0.000 2.660 442 G HA2 -0.000 3.946 3.960 -0.023 0.000 0.215 442 G HA3 -0.000 3.946 3.960 -0.023 0.000 0.215 442 G C -0.325 174.667 174.900 0.154 0.000 1.345 442 G CA -0.367 44.808 45.100 0.125 0.000 0.877 442 G HN 1.020 nan 8.290 nan 0.000 0.549 443 A N -0.170 122.713 122.820 0.104 0.000 2.488 443 A HA 0.598 4.904 4.320 -0.023 0.000 0.249 443 A C 0.474 178.129 177.584 0.117 0.000 1.083 443 A CA 1.497 53.586 52.037 0.086 0.000 0.768 443 A CB 0.522 19.557 19.000 0.059 0.000 1.017 443 A HN 1.001 nan 8.150 nan 0.000 0.496 444 Q N 0.892 120.760 119.800 0.114 0.000 2.289 444 Q HA 0.359 4.685 4.340 -0.023 0.000 0.270 444 Q C -0.602 175.432 176.000 0.058 0.000 1.038 444 Q CA -0.532 55.361 55.803 0.150 0.000 0.812 444 Q CB 1.930 30.885 28.738 0.362 0.000 1.300 444 Q HN 0.898 nan 8.270 nan 0.000 0.427 445 Q N 1.065 120.889 119.800 0.040 0.000 2.432 445 Q HA 0.337 4.663 4.340 -0.023 0.000 0.264 445 Q C -1.369 174.631 176.000 0.000 0.000 1.035 445 Q CA 0.132 55.932 55.803 -0.004 0.000 0.908 445 Q CB 0.917 29.658 28.738 0.005 0.000 1.280 445 Q HN 0.653 nan 8.270 nan 0.000 0.455 446 C N 3.683 122.951 119.300 -0.054 0.000 2.701 446 C HA 0.474 4.920 4.460 -0.023 0.000 0.336 446 C C -1.716 173.239 174.990 -0.059 0.000 1.123 446 C CA -0.627 58.368 59.018 -0.038 0.000 1.326 446 C CB 1.291 28.996 27.740 -0.059 0.000 1.833 446 C HN 0.950 nan 8.230 nan 0.000 0.473 447 Q N 4.547 124.337 119.800 -0.017 0.000 2.296 447 Q HA 0.636 4.962 4.340 -0.023 0.000 0.257 447 Q C -0.432 175.557 176.000 -0.019 0.000 0.942 447 Q CA 0.066 55.857 55.803 -0.021 0.000 0.939 447 Q CB 1.201 29.937 28.738 -0.003 0.000 1.198 447 Q HN 0.732 nan 8.270 nan 0.000 0.429 448 L N 1.923 123.125 121.223 -0.035 0.000 2.395 448 L HA 0.393 4.719 4.340 -0.023 0.000 0.269 448 L C -0.231 176.638 176.870 -0.002 0.000 1.133 448 L CA -1.004 53.822 54.840 -0.023 0.000 0.812 448 L CB 0.878 42.918 42.059 -0.032 0.000 1.125 448 L HN 0.346 nan 8.230 nan 0.000 0.452 449 V N 1.987 121.904 119.914 0.005 0.000 2.461 449 V HA 0.072 4.178 4.120 -0.023 0.000 0.275 449 V C 0.139 176.238 176.094 0.009 0.000 1.047 449 V CA -0.604 61.700 62.300 0.005 0.000 0.955 449 V CB 1.263 33.086 31.823 0.001 0.000 0.988 449 V HN 0.636 nan 8.190 nan 0.000 0.471 450 D N 3.496 123.901 120.400 0.009 0.000 2.478 450 D HA -0.004 4.622 4.640 -0.023 0.000 0.234 450 D C 0.865 177.171 176.300 0.010 0.000 1.154 450 D CA 0.816 54.822 54.000 0.011 0.000 0.874 450 D CB 0.331 41.136 40.800 0.009 0.000 1.198 450 D HN 0.736 nan 8.370 nan 0.000 0.455 451 D N -0.436 119.972 120.400 0.013 0.000 3.076 451 D HA -0.168 4.459 4.640 -0.023 0.000 0.218 451 D C -0.509 175.795 176.300 0.007 0.000 1.156 451 D CA 0.990 54.996 54.000 0.010 0.000 0.921 451 D CB -1.038 39.765 40.800 0.006 0.000 1.113 451 D HN 0.405 nan 8.370 nan 0.000 0.418 452 S N -0.576 115.130 115.700 0.011 0.000 2.509 452 S HA 0.469 4.926 4.470 -0.023 0.000 0.297 452 S C 1.154 175.760 174.600 0.011 0.000 1.118 452 S CA -0.999 57.203 58.200 0.002 0.000 1.074 452 S CB 2.689 65.889 63.200 0.001 0.000 1.038 452 S HN -0.001 nan 8.310 nan 0.000 0.498 453 L N 3.377 124.588 121.223 -0.019 0.000 1.991 453 L HA -0.172 4.154 4.340 -0.023 0.000 0.221 453 L C 2.693 179.586 176.870 0.038 0.000 1.079 453 L CA 2.695 57.520 54.840 -0.025 0.000 0.778 453 L CB -1.454 40.511 42.059 -0.157 0.000 0.893 453 L HN 0.902 nan 8.230 nan 0.000 0.437 454 V N -2.017 117.931 119.914 0.057 0.000 2.392 454 V HA -0.268 3.838 4.120 -0.023 0.000 0.249 454 V C 2.663 178.908 176.094 0.251 0.000 1.059 454 V CA 1.953 64.382 62.300 0.216 0.000 1.051 454 V CB -1.144 30.837 31.823 0.264 0.000 0.658 454 V HN 0.506 nan 8.190 nan 0.000 0.455 455 R N 0.736 121.315 120.500 0.132 0.000 2.120 455 R HA -0.108 4.218 4.340 -0.023 0.000 0.234 455 R C 2.288 178.656 176.300 0.113 0.000 1.123 455 R CA 2.126 58.291 56.100 0.109 0.000 0.975 455 R CB -0.946 29.388 30.300 0.056 0.000 0.866 455 R HN 0.776 nan 8.270 nan 0.000 0.446 456 Q N -0.324 119.534 119.800 0.097 0.000 1.994 456 Q HA -0.033 4.293 4.340 -0.023 0.000 0.198 456 Q C 2.082 178.136 176.000 0.090 0.000 0.976 456 Q CA 1.590 57.442 55.803 0.081 0.000 0.828 456 Q CB -0.106 28.673 28.738 0.068 0.000 0.894 456 Q HN 0.366 nan 8.270 nan 0.000 0.432 457 L N -0.429 120.854 121.223 0.100 0.000 1.971 457 L HA -0.256 4.070 4.340 -0.023 0.000 0.215 457 L C 2.319 179.181 176.870 -0.014 0.000 1.072 457 L CA 1.631 56.499 54.840 0.047 0.000 0.758 457 L CB -0.692 41.394 42.059 0.045 0.000 0.889 457 L HN 0.330 nan 8.230 nan 0.000 0.433 458 Y N -0.385 119.940 120.300 0.041 0.000 2.421 458 Y HA -0.170 4.366 4.550 -0.023 0.000 0.292 458 Y C 1.205 177.106 175.900 0.002 0.000 1.136 458 Y CA 0.882 58.987 58.100 0.008 0.000 1.255 458 Y CB -0.449 38.014 38.460 0.005 0.000 0.991 458 Y HN 0.351 nan 8.280 nan 0.000 0.552 459 N N -0.201 118.591 118.700 0.153 0.000 2.714 459 N HA -0.151 4.575 4.740 -0.023 0.000 0.253 459 N C -1.204 174.359 175.510 0.088 0.000 1.024 459 N CA 0.780 53.886 53.050 0.093 0.000 0.726 459 N CB -0.970 37.550 38.487 0.055 0.000 0.908 459 N HN 0.416 nan 8.380 nan 0.000 0.542 460 A N -0.832 122.045 122.820 0.095 0.000 2.581 460 A HA 0.550 4.856 4.320 -0.023 0.000 0.294 460 A C -2.273 175.330 177.584 0.031 0.000 1.035 460 A CA -0.555 51.515 52.037 0.055 0.000 0.684 460 A CB 0.707 19.736 19.000 0.049 0.000 1.282 460 A HN 0.012 nan 8.150 nan 0.000 0.417 461 P HA 0.003 nan 4.420 nan 0.000 0.216 461 P C 0.801 178.086 177.300 -0.025 0.000 1.153 461 P CA 2.319 65.419 63.100 -0.000 0.000 0.848 461 P CB -0.055 31.646 31.700 0.002 0.000 0.787 462 T N -2.576 111.956 114.554 -0.036 0.000 2.906 462 T HA 0.699 5.035 4.350 -0.023 0.000 0.295 462 T C -0.178 174.459 174.700 -0.105 0.000 1.061 462 T CA -0.941 61.117 62.100 -0.069 0.000 1.000 462 T CB 1.827 70.670 68.868 -0.043 0.000 1.103 462 T HN 0.090 nan 8.240 nan 0.000 0.486 463 I N -1.099 119.362 120.570 -0.182 0.000 3.466 463 I HA 0.911 5.067 4.170 -0.023 0.000 0.311 463 I C -1.830 174.162 176.117 -0.209 0.000 1.155 463 I CA -1.636 59.527 61.300 -0.229 0.000 0.959 463 I CB 2.072 39.770 38.000 -0.504 0.000 1.332 463 I HN 0.496 nan 8.210 nan 0.000 0.483 464 V N 2.289 122.083 119.914 -0.199 0.000 2.524 464 V HA 0.546 4.652 4.120 -0.023 0.000 0.297 464 V C -0.549 175.405 176.094 -0.232 0.000 1.035 464 V CA -0.371 61.829 62.300 -0.166 0.000 0.867 464 V CB 1.467 33.254 31.823 -0.060 0.000 1.004 464 V HN 0.721 nan 8.190 nan 0.000 0.426 465 E N 3.064 123.036 120.200 -0.379 0.000 2.378 465 E HA 0.615 4.951 4.350 -0.023 0.000 0.265 465 E C -0.835 175.621 176.600 -0.239 0.000 0.932 465 E CA -1.037 55.100 56.400 -0.438 0.000 0.795 465 E CB 2.772 31.720 29.700 -1.254 0.000 1.296 465 E HN 0.486 nan 8.360 nan 0.000 0.438 466 R N 0.762 121.224 120.500 -0.064 0.000 2.368 466 R HA 0.401 4.727 4.340 -0.023 0.000 0.302 466 R C -0.068 176.241 176.300 0.016 0.000 1.002 466 R CA -0.531 55.596 56.100 0.045 0.000 0.929 466 R CB 0.961 31.376 30.300 0.192 0.000 1.073 466 R HN 0.387 nan 8.270 nan 0.000 0.464 467 H N 1.562 120.802 119.070 0.282 0.000 2.616 467 H HA 0.418 4.960 4.556 -0.023 0.000 0.353 467 H C -0.320 175.208 175.328 0.332 0.000 1.170 467 H CA -0.784 55.434 56.048 0.282 0.000 1.212 467 H CB 2.261 32.170 29.762 0.246 0.000 1.653 467 H HN 0.379 nan 8.280 nan 0.000 0.537 468 R N 1.501 122.317 120.500 0.527 0.000 3.021 468 R HA 0.142 4.468 4.340 -0.023 0.000 0.206 468 R C -1.710 174.953 176.300 0.604 0.000 1.593 468 R CA -0.278 56.112 56.100 0.483 0.000 1.243 468 R CB 0.078 30.602 30.300 0.374 0.000 1.573 468 R HN 1.038 nan 8.270 nan 0.000 0.640 469 H N -1.745 117.531 119.070 0.343 0.000 2.987 469 H HA 0.458 5.000 4.556 -0.023 0.000 0.316 469 H C -0.624 174.824 175.328 0.200 0.000 1.380 469 H CA -1.213 55.034 56.048 0.332 0.000 1.160 469 H CB 1.296 31.237 29.762 0.298 0.000 1.865 469 H HN 0.045 nan 8.280 nan 0.000 0.521 470 R N 0.081 120.585 120.500 0.008 0.000 2.098 470 R HA 0.100 4.426 4.340 -0.023 0.000 0.203 470 R C -0.231 175.837 176.300 -0.387 0.000 1.166 470 R CA -0.072 55.864 56.100 -0.273 0.000 1.090 470 R CB -0.047 30.085 30.300 -0.281 0.000 0.992 470 R HN 0.392 nan 8.270 nan 0.000 0.477 471 Y N 2.791 123.069 120.300 -0.037 0.000 2.717 471 Y HA -0.089 4.447 4.550 -0.024 0.000 0.330 471 Y C 0.865 176.811 175.900 0.077 0.000 1.217 471 Y CA 0.658 58.781 58.100 0.039 0.000 1.506 471 Y CB 0.273 38.790 38.460 0.095 0.000 1.268 471 Y HN -0.016 nan 8.280 nan 0.000 0.561 472 E N 1.243 121.612 120.200 0.281 0.000 2.316 472 E HA 0.398 4.734 4.350 -0.023 0.000 0.258 472 E C -1.028 175.808 176.600 0.392 0.000 0.952 472 E CA -1.163 55.442 56.400 0.341 0.000 0.818 472 E CB 2.132 32.048 29.700 0.361 0.000 1.260 472 E HN 0.233 nan 8.360 nan 0.000 0.416 473 V N 2.610 122.692 119.914 0.281 0.000 2.470 473 V HA -0.016 4.090 4.120 -0.023 0.000 0.276 473 V C 0.543 176.552 176.094 -0.142 0.000 1.040 473 V CA -0.388 61.970 62.300 0.097 0.000 1.008 473 V CB 0.265 32.110 31.823 0.037 0.000 0.990 473 V HN 0.468 nan 8.190 nan 0.000 0.477 474 N N 5.551 124.038 118.700 -0.356 0.000 2.411 474 N HA -0.030 4.696 4.740 -0.023 0.000 0.282 474 N C 1.155 176.087 175.510 -0.964 0.000 1.322 474 N CA 0.345 52.747 53.050 -1.081 0.000 0.943 474 N CB 0.171 38.333 38.487 -0.541 0.000 1.266 474 N HN 0.539 nan 8.380 nan 0.000 0.486 475 N N 3.553 121.395 118.700 -1.429 0.000 2.205 475 N HA -0.138 4.588 4.740 -0.023 0.000 0.186 475 N C 1.488 176.759 175.510 -0.399 0.000 1.015 475 N CA 1.016 53.661 53.050 -0.676 0.000 0.862 475 N CB -0.002 38.212 38.487 -0.455 0.000 0.986 475 N HN 0.636 nan 8.380 nan 0.000 0.429 476 M N -0.045 119.292 119.600 -0.438 0.000 2.080 476 M HA -0.118 4.349 4.480 -0.023 0.000 0.260 476 M C 1.364 177.584 176.300 -0.133 0.000 1.068 476 M CA 1.290 56.474 55.300 -0.194 0.000 1.109 476 M CB -0.226 32.303 32.600 -0.118 0.000 1.342 476 M HN 0.060 nan 8.290 nan 0.000 0.405 477 L N -0.368 120.761 121.223 -0.157 0.000 2.612 477 L HA -0.001 4.325 4.340 -0.023 0.000 0.230 477 L C 1.957 178.778 176.870 -0.082 0.000 1.140 477 L CA -0.454 54.345 54.840 -0.067 0.000 0.896 477 L CB -0.465 41.588 42.059 -0.010 0.000 1.065 477 L HN 0.240 nan 8.230 nan 0.000 0.447 478 L N 1.006 122.156 121.223 -0.123 0.000 1.932 478 L HA -0.206 4.120 4.340 -0.023 0.000 0.217 478 L C 2.427 179.261 176.870 -0.059 0.000 1.077 478 L CA 1.972 56.753 54.840 -0.099 0.000 0.765 478 L CB -0.457 41.532 42.059 -0.118 0.000 0.888 478 L HN 0.044 nan 8.230 nan 0.000 0.433 479 K N -0.406 119.963 120.400 -0.050 0.000 2.127 479 K HA -0.308 3.998 4.320 -0.023 0.000 0.212 479 K C 2.093 178.679 176.600 -0.023 0.000 1.050 479 K CA 2.085 58.354 56.287 -0.031 0.000 0.929 479 K CB -0.625 31.861 32.500 -0.023 0.000 0.715 479 K HN 0.501 nan 8.250 nan 0.000 0.457 480 Q N 0.137 119.923 119.800 -0.024 0.000 2.014 480 Q HA -0.197 4.129 4.340 -0.023 0.000 0.207 480 Q C 2.003 177.991 176.000 -0.019 0.000 0.993 480 Q CA 2.216 58.006 55.803 -0.022 0.000 0.850 480 Q CB -0.165 28.559 28.738 -0.023 0.000 0.916 480 Q HN 0.368 nan 8.270 nan 0.000 0.417 481 I N 0.800 121.360 120.570 -0.016 0.000 2.286 481 I HA -0.265 3.891 4.170 -0.023 0.000 0.248 481 I C 2.172 178.323 176.117 0.057 0.000 1.115 481 I CA 1.301 62.623 61.300 0.036 0.000 1.392 481 I CB -0.447 37.575 38.000 0.036 0.000 1.065 481 I HN 0.223 nan 8.210 nan 0.000 0.418 482 E N 1.114 121.312 120.200 -0.003 0.000 2.058 482 E HA -0.251 4.085 4.350 -0.023 0.000 0.194 482 E C 1.700 178.307 176.600 0.012 0.000 0.997 482 E CA 1.660 58.050 56.400 -0.016 0.000 0.801 482 E CB -0.419 29.264 29.700 -0.028 0.000 0.746 482 E HN 0.529 nan 8.360 nan 0.000 0.450 483 D N 0.879 121.284 120.400 0.009 0.000 2.149 483 D HA -0.141 4.485 4.640 -0.023 0.000 0.198 483 D C 1.845 178.160 176.300 0.024 0.000 0.990 483 D CA 1.348 55.353 54.000 0.008 0.000 0.839 483 D CB -0.303 40.495 40.800 -0.004 0.000 0.948 483 D HN 0.198 nan 8.370 nan 0.000 0.460 484 A N -0.524 122.325 122.820 0.050 0.000 2.067 484 A HA 0.246 4.552 4.320 -0.023 0.000 0.219 484 A C 1.955 179.623 177.584 0.140 0.000 1.158 484 A CA 2.040 54.107 52.037 0.051 0.000 0.661 484 A CB -0.051 18.951 19.000 0.004 0.000 0.801 484 A HN 0.365 nan 8.150 nan 0.000 0.452 485 G N -2.397 106.519 108.800 0.195 0.000 3.006 485 G HA2 -0.036 3.910 3.960 -0.023 0.000 0.195 485 G HA3 -0.036 3.910 3.960 -0.023 0.000 0.195 485 G C 0.071 174.986 174.900 0.025 0.000 1.034 485 G CA -0.045 45.162 45.100 0.178 0.000 0.807 485 G HN 0.567 nan 8.290 nan 0.000 0.469 486 L N 2.271 123.394 121.223 -0.166 0.000 2.516 486 L HA 0.532 4.858 4.340 -0.023 0.000 0.288 486 L C 0.242 176.962 176.870 -0.250 0.000 1.246 486 L CA 0.182 54.680 54.840 -0.570 0.000 0.844 486 L CB 0.218 41.812 42.059 -0.775 0.000 1.106 486 L HN 0.298 nan 8.230 nan 0.000 0.509 487 R N 3.320 123.680 120.500 -0.234 0.000 2.561 487 R HA 0.452 4.778 4.340 -0.023 0.000 0.297 487 R C -1.352 174.883 176.300 -0.109 0.000 0.969 487 R CA -0.890 55.132 56.100 -0.131 0.000 0.879 487 R CB 1.498 31.741 30.300 -0.096 0.000 1.178 487 R HN 0.421 nan 8.270 nan 0.000 0.445 488 V N 2.817 122.687 119.914 -0.073 0.000 2.408 488 V HA 0.172 4.278 4.120 -0.023 0.000 0.267 488 V C 1.092 177.167 176.094 -0.033 0.000 1.047 488 V CA 0.295 62.565 62.300 -0.050 0.000 0.937 488 V CB 1.050 32.853 31.823 -0.033 0.000 0.999 488 V HN 0.952 nan 8.190 nan 0.000 0.472 489 A N 4.277 127.081 122.820 -0.027 0.000 2.169 489 A HA 0.644 4.950 4.320 -0.023 0.000 0.210 489 A C 1.016 178.606 177.584 0.010 0.000 1.168 489 A CA 0.687 52.717 52.037 -0.012 0.000 0.813 489 A CB 0.289 19.276 19.000 -0.021 0.000 0.861 489 A HN 0.947 nan 8.150 nan 0.000 0.481 490 G N -0.652 108.162 108.800 0.024 0.000 2.733 490 G HA2 0.591 4.537 3.960 -0.023 0.000 0.297 490 G HA3 0.591 4.537 3.960 -0.023 0.000 0.297 490 G C -1.092 173.847 174.900 0.064 0.000 1.422 490 G CA -0.647 44.481 45.100 0.048 0.000 0.942 490 G HN 0.197 nan 8.290 nan 0.000 0.510 491 R N -0.030 120.508 120.500 0.063 0.000 2.836 491 R HA 0.712 5.038 4.340 -0.023 0.000 0.269 491 R C -1.104 175.243 176.300 0.079 0.000 1.010 491 R CA -0.899 55.244 56.100 0.072 0.000 0.930 491 R CB 2.472 32.802 30.300 0.050 0.000 1.218 491 R HN 0.449 nan 8.270 nan 0.000 0.473 492 S N 0.464 116.215 115.700 0.086 0.000 2.601 492 S HA 0.299 4.755 4.470 -0.023 0.000 0.312 492 S C 0.922 175.556 174.600 0.057 0.000 1.107 492 S CA 0.147 58.392 58.200 0.077 0.000 1.129 492 S CB 1.081 64.330 63.200 0.082 0.000 0.982 492 S HN 0.841 nan 8.310 nan 0.000 0.469 493 G N 5.205 114.031 108.800 0.044 0.000 3.903 493 G HA2 -0.460 3.487 3.960 -0.023 0.000 0.260 493 G HA3 -0.460 3.487 3.960 -0.023 0.000 0.260 493 G C 0.916 175.838 174.900 0.037 0.000 0.882 493 G CA 1.714 46.835 45.100 0.034 0.000 0.749 493 G HN 0.877 nan 8.290 nan 0.000 1.415 494 D N 0.491 120.909 120.400 0.030 0.000 1.984 494 D HA -0.263 4.363 4.640 -0.023 0.000 0.626 494 D C 0.886 177.209 176.300 0.038 0.000 0.610 494 D CA 1.981 55.996 54.000 0.025 0.000 1.641 494 D CB -1.124 39.684 40.800 0.014 0.000 0.347 494 D HN 0.401 nan 8.370 nan 0.000 0.194 495 D N 1.490 121.920 120.400 0.049 0.000 2.856 495 D HA -0.023 4.603 4.640 -0.023 0.000 0.242 495 D C 0.116 176.485 176.300 0.114 0.000 1.226 495 D CA 0.110 54.164 54.000 0.089 0.000 0.855 495 D CB -0.271 40.589 40.800 0.100 0.000 1.065 495 D HN 0.207 nan 8.370 nan 0.000 0.462 496 Q N 0.527 120.374 119.800 0.078 0.000 2.314 496 Q HA -0.202 4.124 4.340 -0.023 0.000 0.348 496 Q C -0.167 175.896 176.000 0.105 0.000 1.194 496 Q CA 0.687 56.536 55.803 0.075 0.000 1.137 496 Q CB -0.929 27.843 28.738 0.057 0.000 1.283 496 Q HN 0.503 nan 8.270 nan 0.000 0.295 497 L N 0.341 121.636 121.223 0.120 0.000 2.371 497 L HA 0.238 4.564 4.340 -0.023 0.000 0.272 497 L C 0.783 177.729 176.870 0.127 0.000 1.124 497 L CA -0.652 54.285 54.840 0.162 0.000 0.816 497 L CB 0.815 42.972 42.059 0.163 0.000 1.129 497 L HN 0.018 nan 8.230 nan 0.000 0.448 498 V N 3.520 123.503 119.914 0.115 0.000 2.529 498 V HA 0.007 4.113 4.120 -0.023 0.000 0.292 498 V C 0.912 177.069 176.094 0.105 0.000 1.028 498 V CA 0.297 62.645 62.300 0.079 0.000 1.074 498 V CB 0.718 32.562 31.823 0.035 0.000 0.958 498 V HN 0.836 nan 8.190 nan 0.000 0.481 499 E N 4.420 124.683 120.200 0.105 0.000 2.364 499 E HA 0.313 4.649 4.350 -0.023 0.000 0.203 499 E C -0.087 176.529 176.600 0.026 0.000 0.888 499 E CA 0.430 56.912 56.400 0.137 0.000 0.989 499 E CB 1.212 31.087 29.700 0.291 0.000 0.985 499 E HN 0.607 nan 8.360 nan 0.000 0.499 500 I N 1.858 122.445 120.570 0.027 0.000 2.686 500 I HA 0.384 4.541 4.170 -0.023 0.000 0.295 500 I C -0.416 175.676 176.117 -0.041 0.000 1.114 500 I CA -1.061 60.219 61.300 -0.033 0.000 1.038 500 I CB 2.577 40.588 38.000 0.019 0.000 1.238 500 I HN -0.097 nan 8.210 nan 0.000 0.420 501 I N 0.573 121.101 120.570 -0.071 0.000 2.865 501 I HA 0.773 4.929 4.170 -0.023 0.000 0.302 501 I C -1.330 174.740 176.117 -0.079 0.000 1.140 501 I CA -0.546 60.707 61.300 -0.079 0.000 1.021 501 I CB 2.568 40.511 38.000 -0.094 0.000 1.233 501 I HN 0.571 nan 8.210 nan 0.000 0.427 502 E N 2.409 122.552 120.200 -0.095 0.000 2.356 502 E HA 0.507 4.843 4.350 -0.023 0.000 0.275 502 E C -1.597 174.929 176.600 -0.122 0.000 0.904 502 E CA -0.879 55.479 56.400 -0.070 0.000 0.757 502 E CB 3.283 32.925 29.700 -0.095 0.000 1.232 502 E HN 0.459 nan 8.360 nan 0.000 0.442 503 V N 4.396 124.261 119.914 -0.081 0.000 2.385 503 V HA 0.109 4.215 4.120 -0.023 0.000 0.269 503 V C -1.442 174.611 176.094 -0.069 0.000 1.043 503 V CA -1.333 60.840 62.300 -0.211 0.000 0.906 503 V CB 0.931 32.477 31.823 -0.462 0.000 0.995 503 V HN 0.680 nan 8.190 nan 0.000 0.467 504 P HA -0.159 nan 4.420 nan 0.000 0.214 504 P C 0.373 177.684 177.300 0.017 0.000 1.172 504 P CA 1.508 64.592 63.100 -0.026 0.000 0.925 504 P CB 0.146 31.831 31.700 -0.025 0.000 0.793 505 N N -0.967 117.754 118.700 0.035 0.000 2.735 505 N HA 0.071 4.797 4.740 -0.023 0.000 0.312 505 N C -0.343 175.224 175.510 0.096 0.000 1.843 505 N CA -0.046 53.036 53.050 0.052 0.000 0.945 505 N CB -0.146 38.359 38.487 0.030 0.000 1.299 505 N HN 0.360 nan 8.380 nan 0.000 0.489 506 H N 0.807 119.894 119.070 0.028 0.000 2.622 506 H HA 0.302 4.844 4.556 -0.023 0.000 0.363 506 H C -1.622 173.789 175.328 0.138 0.000 1.151 506 H CA -1.515 54.579 56.048 0.076 0.000 1.184 506 H CB 2.710 32.526 29.762 0.091 0.000 1.643 506 H HN -0.081 nan 8.280 nan 0.000 0.531 507 P HA -0.151 nan 4.420 nan 0.000 0.216 507 P C -0.364 177.116 177.300 0.299 0.000 1.157 507 P CA 1.223 64.307 63.100 -0.026 0.000 0.880 507 P CB 0.418 32.063 31.700 -0.091 0.000 0.791 508 W N -1.050 120.448 121.300 0.331 0.000 2.861 508 W HA 0.407 5.053 4.660 -0.023 0.000 0.302 508 W C -2.063 174.840 176.519 0.640 0.000 1.068 508 W CA -0.536 57.051 57.345 0.403 0.000 1.161 508 W CB 0.421 30.017 29.460 0.227 0.000 0.981 508 W HN -0.292 nan 8.180 nan 0.000 0.322 509 F N 6.519 126.610 119.950 0.234 0.000 2.771 509 F HA 0.688 5.201 4.527 -0.023 0.000 0.365 509 F C -1.245 174.428 175.800 -0.211 0.000 1.169 509 F CA -0.826 57.179 58.000 0.009 0.000 1.093 509 F CB 0.636 39.373 39.000 -0.439 0.000 1.363 509 F HN -0.123 nan 8.300 nan 0.000 0.496 510 V N 3.656 123.329 119.914 -0.402 0.000 2.823 510 V HA 0.964 5.070 4.120 -0.023 0.000 0.312 510 V C -0.627 175.294 176.094 -0.288 0.000 1.072 510 V CA -0.851 61.217 62.300 -0.386 0.000 0.937 510 V CB 1.683 33.112 31.823 -0.656 0.000 1.013 510 V HN 0.835 nan 8.190 nan 0.000 0.430 511 A N 2.202 124.903 122.820 -0.197 0.000 2.488 511 A HA 0.899 5.205 4.320 -0.023 0.000 0.298 511 A C -0.714 176.726 177.584 -0.240 0.000 1.044 511 A CA -0.343 51.583 52.037 -0.185 0.000 0.693 511 A CB 1.531 20.509 19.000 -0.037 0.000 1.272 511 A HN 1.730 nan 8.150 nan 0.000 0.402 512 C N 0.515 119.590 119.300 -0.375 0.000 3.173 512 C HA 0.711 5.157 4.460 -0.023 0.000 0.310 512 C C 0.838 175.447 174.990 -0.636 0.000 1.306 512 C CA -0.595 58.082 59.018 -0.568 0.000 1.426 512 C CB 1.443 28.563 27.740 -1.034 0.000 1.800 512 C HN 0.880 nan 8.230 nan 0.000 0.470 513 Q N 0.791 120.244 119.800 -0.578 0.000 1.994 513 Q HA 0.067 4.393 4.340 -0.023 0.000 0.198 513 Q C 0.972 176.629 176.000 -0.571 0.000 0.976 513 Q CA 1.595 57.154 55.803 -0.407 0.000 0.828 513 Q CB -0.357 28.323 28.738 -0.097 0.000 0.894 513 Q HN 0.868 nan 8.270 nan 0.000 0.432 514 F N 0.161 119.955 119.950 -0.259 0.000 2.527 514 F HA 0.107 4.620 4.527 -0.024 0.000 0.316 514 F C 0.596 176.114 175.800 -0.471 0.000 1.258 514 F CA -0.207 57.510 58.000 -0.470 0.000 1.314 514 F CB 0.006 38.612 39.000 -0.656 0.000 1.200 514 F HN 0.022 nan 8.300 nan 0.000 0.577 515 H N 1.783 120.889 119.070 0.061 0.000 2.556 515 H HA 0.184 4.726 4.556 -0.023 0.000 0.240 515 H C -1.826 173.488 175.328 -0.023 0.000 1.543 515 H CA -1.508 54.438 56.048 -0.170 0.000 1.287 515 H CB 0.392 29.745 29.762 -0.681 0.000 1.529 515 H HN 0.405 nan 8.280 nan 0.000 0.553 516 P HA -0.302 nan 4.420 nan 0.000 0.218 516 P C 1.693 179.045 177.300 0.087 0.000 1.154 516 P CA 1.469 64.709 63.100 0.234 0.000 0.872 516 P CB 0.360 32.128 31.700 0.113 0.000 0.790 517 E N -0.232 120.018 120.200 0.083 0.000 2.114 517 E HA -0.230 4.106 4.350 -0.023 0.000 0.199 517 E C 1.530 178.234 176.600 0.174 0.000 1.008 517 E CA 1.406 57.769 56.400 -0.063 0.000 0.810 517 E CB -1.445 28.175 29.700 -0.134 0.000 0.739 517 E HN 0.197 nan 8.360 nan 0.000 0.456 518 F N 1.229 121.291 119.950 0.186 0.000 2.722 518 F HA 0.050 4.563 4.527 -0.023 0.000 0.298 518 F C 1.811 177.756 175.800 0.242 0.000 1.175 518 F CA 0.865 58.978 58.000 0.188 0.000 1.462 518 F CB -0.314 38.643 39.000 -0.072 0.000 1.111 518 F HN 0.035 nan 8.300 nan 0.000 0.592 519 T N -2.324 112.485 114.554 0.426 0.000 3.004 519 T HA 0.066 4.402 4.350 -0.023 0.000 0.266 519 T C 0.805 175.751 174.700 0.410 0.000 0.986 519 T CA 0.139 62.479 62.100 0.399 0.000 0.902 519 T CB 0.198 69.312 68.868 0.411 0.000 1.118 519 T HN 0.086 nan 8.240 nan 0.000 0.522 520 S N 1.972 117.892 115.700 0.366 0.000 2.617 520 S HA 0.611 5.067 4.470 -0.023 0.000 0.269 520 S C 0.056 174.853 174.600 0.329 0.000 1.292 520 S CA -0.096 58.316 58.200 0.353 0.000 1.010 520 S CB 0.806 64.123 63.200 0.195 0.000 0.944 520 S HN 0.515 nan 8.310 nan 0.000 0.536 521 T N 0.364 115.034 114.554 0.193 0.000 2.821 521 T HA 0.571 4.907 4.350 -0.023 0.000 0.306 521 T C -2.602 171.475 174.700 -1.038 0.000 1.313 521 T CA -1.354 60.634 62.100 -0.186 0.000 1.012 521 T CB 1.376 70.176 68.868 -0.113 0.000 1.298 521 T HN 0.351 nan 8.240 nan 0.000 0.502 522 P HA 0.032 nan 4.420 nan 0.000 0.216 522 P C 1.481 178.346 177.300 -0.725 0.000 1.153 522 P CA 0.896 63.255 63.100 -1.235 0.000 0.844 522 P CB 0.146 31.221 31.700 -1.042 0.000 0.787 523 R N -0.227 119.884 120.500 -0.647 0.000 2.073 523 R HA -0.074 4.252 4.340 -0.023 0.000 0.234 523 R C 0.971 177.071 176.300 -0.333 0.000 1.134 523 R CA 1.641 57.418 56.100 -0.539 0.000 0.952 523 R CB -0.356 29.578 30.300 -0.610 0.000 0.850 523 R HN 0.238 nan 8.270 nan 0.000 0.433 524 D N -0.973 119.277 120.400 -0.250 0.000 2.431 524 D HA 0.165 4.791 4.640 -0.023 0.000 0.213 524 D C 0.892 177.148 176.300 -0.073 0.000 1.130 524 D CA 0.558 54.475 54.000 -0.138 0.000 0.834 524 D CB 0.669 41.416 40.800 -0.088 0.000 0.985 524 D HN 0.296 nan 8.370 nan 0.000 0.504 525 G N 1.145 109.891 108.800 -0.089 0.000 2.574 525 G HA2 -0.288 3.658 3.960 -0.023 0.000 0.295 525 G HA3 -0.288 3.658 3.960 -0.023 0.000 0.295 525 G C -0.210 174.806 174.900 0.194 0.000 1.300 525 G CA 0.089 45.230 45.100 0.068 0.000 0.944 525 G HN 0.502 nan 8.290 nan 0.000 0.551 526 H N 0.232 119.378 119.070 0.127 0.000 3.129 526 H HA 0.311 4.853 4.556 -0.023 0.000 0.342 526 H C -1.809 173.592 175.328 0.122 0.000 1.092 526 H CA -0.542 55.602 56.048 0.159 0.000 1.310 526 H CB 1.949 31.891 29.762 0.300 0.000 1.932 526 H HN 0.206 nan 8.280 nan 0.000 0.507 527 P HA -0.174 nan 4.420 nan 0.000 0.213 527 P C 1.890 179.226 177.300 0.061 0.000 1.176 527 P CA 0.967 63.960 63.100 -0.179 0.000 0.919 527 P CB 0.491 31.821 31.700 -0.617 0.000 0.791 528 L N -2.259 119.055 121.223 0.152 0.000 1.990 528 L HA -0.211 4.115 4.340 -0.023 0.000 0.213 528 L C 2.615 179.578 176.870 0.156 0.000 1.072 528 L CA 1.852 56.818 54.840 0.210 0.000 0.755 528 L CB -1.056 41.066 42.059 0.106 0.000 0.889 528 L HN -0.150 nan 8.230 nan 0.000 0.432 529 F N -1.122 118.972 119.950 0.239 0.000 2.146 529 F HA -0.206 4.307 4.527 -0.023 0.000 0.298 529 F C 2.446 178.303 175.800 0.096 0.000 1.096 529 F CA 1.042 59.130 58.000 0.147 0.000 1.275 529 F CB -1.009 38.045 39.000 0.089 0.000 1.008 529 F HN 0.078 nan 8.300 nan 0.000 0.480 530 A N 0.542 123.529 122.820 0.278 0.000 1.865 530 A HA -0.123 4.183 4.320 -0.023 0.000 0.217 530 A C 2.572 180.172 177.584 0.027 0.000 1.191 530 A CA 2.055 54.167 52.037 0.126 0.000 0.623 530 A CB -1.622 17.435 19.000 0.096 0.000 0.826 530 A HN 0.405 nan 8.150 nan 0.000 0.444 531 G N -1.258 107.582 108.800 0.067 0.000 2.453 531 G HA2 -0.224 3.722 3.960 -0.023 0.000 0.215 531 G HA3 -0.224 3.722 3.960 -0.023 0.000 0.215 531 G C 1.436 176.031 174.900 -0.508 0.000 1.201 531 G CA 1.173 46.290 45.100 0.028 0.000 0.784 531 G HN 0.436 nan 8.290 nan 0.000 0.545 532 F N 1.574 120.990 119.950 -0.890 0.000 2.063 532 F HA -0.218 4.295 4.527 -0.023 0.000 0.298 532 F C 2.747 178.042 175.800 -0.841 0.000 1.105 532 F CA 1.718 58.791 58.000 -1.546 0.000 1.215 532 F CB -0.752 37.727 39.000 -0.868 0.000 0.972 532 F HN 0.026 nan 8.300 nan 0.000 0.483 533 V N 1.006 120.640 119.914 -0.467 0.000 2.233 533 V HA -0.368 3.738 4.120 -0.023 0.000 0.247 533 V C 2.568 178.446 176.094 -0.360 0.000 1.050 533 V CA 2.475 64.537 62.300 -0.396 0.000 1.010 533 V CB -0.934 30.806 31.823 -0.138 0.000 0.637 533 V HN 0.397 nan 8.190 nan 0.000 0.444 534 K N 0.366 120.615 120.400 -0.253 0.000 2.059 534 K HA -0.293 4.013 4.320 -0.023 0.000 0.212 534 K C 2.144 178.609 176.600 -0.224 0.000 1.050 534 K CA 2.055 58.235 56.287 -0.178 0.000 0.927 534 K CB -0.460 31.980 32.500 -0.100 0.000 0.714 534 K HN 0.411 nan 8.250 nan 0.000 0.447 535 A N 1.243 123.838 122.820 -0.376 0.000 1.849 535 A HA -0.204 4.102 4.320 -0.023 0.000 0.217 535 A C 2.456 179.879 177.584 -0.268 0.000 1.202 535 A CA 2.635 54.469 52.037 -0.337 0.000 0.629 535 A CB -1.308 17.302 19.000 -0.651 0.000 0.834 535 A HN 0.577 nan 8.150 nan 0.000 0.447 536 A N -1.087 121.452 122.820 -0.469 0.000 1.958 536 A HA -0.210 4.096 4.320 -0.023 0.000 0.221 536 A C 2.473 179.985 177.584 -0.120 0.000 1.178 536 A CA 2.587 54.412 52.037 -0.354 0.000 0.642 536 A CB -1.124 17.548 19.000 -0.546 0.000 0.816 536 A HN 0.590 nan 8.150 nan 0.000 0.453 537 S N -0.707 114.911 115.700 -0.136 0.000 2.354 537 S HA -0.218 4.238 4.470 -0.023 0.000 0.219 537 S C 1.893 176.487 174.600 -0.011 0.000 1.035 537 S CA 1.664 59.826 58.200 -0.063 0.000 1.037 537 S CB -0.449 62.706 63.200 -0.075 0.000 0.956 537 S HN 0.682 nan 8.310 nan 0.000 0.428 538 E N -0.162 120.026 120.200 -0.020 0.000 2.108 538 E HA -0.254 4.082 4.350 -0.023 0.000 0.203 538 E C 1.777 178.393 176.600 0.027 0.000 1.022 538 E CA 1.759 58.159 56.400 0.000 0.000 0.823 538 E CB -0.429 29.273 29.700 0.004 0.000 0.744 538 E HN 0.652 nan 8.360 nan 0.000 0.456 539 F N 2.051 121.949 119.950 -0.085 0.000 2.026 539 F HA -0.299 4.214 4.527 -0.023 0.000 0.296 539 F C 2.754 178.518 175.800 -0.059 0.000 1.133 539 F CA 2.215 60.172 58.000 -0.071 0.000 1.188 539 F CB -0.341 38.610 39.000 -0.081 0.000 0.968 539 F HN -0.058 nan 8.300 nan 0.000 0.476 540 Q N 0.946 120.856 119.800 0.183 0.000 2.112 540 Q HA -0.281 4.045 4.340 -0.023 0.000 0.206 540 Q C 2.204 178.165 176.000 -0.065 0.000 0.987 540 Q CA 2.202 58.038 55.803 0.055 0.000 0.858 540 Q CB -0.355 28.435 28.738 0.087 0.000 0.905 540 Q HN 0.525 nan 8.270 nan 0.000 0.420 541 K N 0.113 120.482 120.400 -0.052 0.000 2.026 541 K HA -0.184 4.122 4.320 -0.023 0.000 0.208 541 K C 2.312 178.854 176.600 -0.097 0.000 1.048 541 K CA 1.741 57.991 56.287 -0.061 0.000 0.929 541 K CB -0.250 32.224 32.500 -0.044 0.000 0.713 541 K HN 0.260 nan 8.250 nan 0.000 0.439 542 R N 0.741 121.160 120.500 -0.136 0.000 2.235 542 R HA -0.053 4.273 4.340 -0.023 0.000 0.213 542 R C 0.914 177.072 176.300 -0.236 0.000 1.059 542 R CA 0.870 56.870 56.100 -0.167 0.000 0.997 542 R CB 0.153 30.357 30.300 -0.160 0.000 0.884 542 R HN 0.066 nan 8.270 nan 0.000 0.462 543 Q N 0.188 119.805 119.800 -0.304 0.000 2.265 543 Q HA 0.143 4.469 4.340 -0.023 0.000 0.217 543 Q C 0.193 176.097 176.000 -0.160 0.000 0.916 543 Q CA 0.704 56.321 55.803 -0.309 0.000 0.948 543 Q CB 1.367 29.859 28.738 -0.409 0.000 1.020 543 Q HN 0.584 nan 8.270 nan 0.000 0.462 544 A N -0.220 122.524 122.820 -0.127 0.000 2.408 544 A HA -0.007 4.299 4.320 -0.023 0.000 0.195 544 A C 0.607 178.150 177.584 -0.067 0.000 2.215 544 A CA -0.175 51.814 52.037 -0.081 0.000 1.224 544 A CB -0.192 18.771 19.000 -0.061 0.000 0.924 544 A HN 0.302 nan 8.150 nan 0.000 0.450 545 K N 0.000 120.353 120.400 -0.078 0.000 2.780 545 K HA 0.000 4.306 4.320 -0.023 0.000 0.191 545 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 545 K CB 0.000 32.461 32.500 -0.066 0.000 1.064 545 K HN 0.000 nan 8.250 nan 0.000 0.543