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 2vtb_1_A DATA FIRST_RESID 0 DATA SEQUENCE MNDHIHRVPA LTEEEIDSVA IKTFERYALP SSSSVKRKGK GVTILWFRND DATA SEQUENCE LRVLDNDALY KAWSSSDTIL PVYCLDPRLF HTTHFFNFPK TGALRGGFLM DATA SEQUENCE ECLVDLRKNL MKRGLNLLIR SGKPEEILPS LAKDFGARTV FAHKETCSEE DATA SEQUENCE VDVERLVNQG LKRVGNSTKL ELIWGSTMYH KDDLPFDVFD LPDVYTQFRK DATA SEQUENCE SVEAKCSIRS STRIPLSLGP TPSVDDWGDV PTLEKLGVEP QEVTRGMRFV DATA SEQUENCE GGESAGVGRV FEYFWKKDLL KVYKETRNGM LGPDYSTKFS PWLAFGCISP DATA SEQUENCE RFIYEEVQRY EKERVANNST YWVLFELIWR DYFRFLSIKC GNSLFHLGGP DATA SEQUENCE RNVQGKWSQD QKLFESWRDA KTGYPLIDAN MKELSTTGFM SNRGRQIVCS DATA SEQUENCE FLVRDMGLDW RMGAEWFETC LLDYDPCSNY GNWTYGAGVG NDPREDRYFS DATA SEQUENCE IPKQAQNYDP EGEYVAFWLQ QLRRLPKEKR HWPGRLMYMD TVVPLKHGNG 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.356 176.300 0.094 0.000 1.140 0 M CA 0.000 55.333 55.300 0.054 0.000 0.988 0 M CB 0.000 32.630 32.600 0.050 0.000 1.302 1 N N 1.044 119.836 118.700 0.153 0.000 4.601 1 N HA -0.036 4.703 4.740 -0.001 0.000 0.172 1 N C -1.593 174.101 175.510 0.307 0.000 2.171 1 N CA 0.959 54.160 53.050 0.251 0.000 2.696 1 N CB -0.408 38.255 38.487 0.293 0.000 0.405 1 N HN 0.891 nan 8.380 nan 0.000 0.622 2 D N 1.568 122.074 120.400 0.176 0.000 2.342 2 D HA 0.131 4.771 4.640 -0.001 0.000 0.221 2 D C 0.145 176.380 176.300 -0.108 0.000 1.101 2 D CA 0.523 54.556 54.000 0.055 0.000 0.837 2 D CB -0.253 40.511 40.800 -0.059 0.000 0.938 2 D HN 0.535 nan 8.370 nan 0.000 0.508 3 H N 0.168 119.210 119.070 -0.046 0.000 2.603 3 H HA 0.352 4.908 4.556 -0.001 0.000 0.370 3 H C 0.541 175.648 175.328 -0.367 0.000 1.225 3 H CA -0.452 55.519 56.048 -0.128 0.000 1.410 3 H CB 0.938 30.678 29.762 -0.037 0.000 1.495 3 H HN -0.063 nan 8.280 nan 0.000 0.602 4 I N 1.916 122.420 120.570 -0.110 0.000 2.618 4 I HA -0.045 4.125 4.170 -0.001 0.000 0.284 4 I C 0.071 176.103 176.117 -0.141 0.000 1.146 4 I CA 0.608 61.812 61.300 -0.159 0.000 1.425 4 I CB 0.095 38.080 38.000 -0.025 0.000 1.383 4 I HN 0.517 nan 8.210 nan 0.000 0.562 5 H N 6.111 125.224 119.070 0.072 0.000 2.641 5 H HA 0.348 4.904 4.556 -0.000 0.000 0.295 5 H C -0.397 174.912 175.328 -0.033 0.000 1.070 5 H CA -0.777 55.281 56.048 0.015 0.000 1.257 5 H CB 0.482 30.235 29.762 -0.015 0.000 1.393 5 H HN 0.425 nan 8.280 nan 0.000 0.464 6 R N 2.317 122.869 120.500 0.086 0.000 2.537 6 R HA 0.203 4.543 4.340 -0.001 0.000 0.280 6 R C -0.707 175.586 176.300 -0.012 0.000 1.058 6 R CA -0.243 55.878 56.100 0.035 0.000 1.057 6 R CB 0.840 31.170 30.300 0.050 0.000 0.973 6 R HN 0.319 nan 8.270 nan 0.000 0.438 7 V N 6.093 125.965 119.914 -0.071 0.000 2.376 7 V HA 0.264 4.383 4.120 -0.001 0.000 0.287 7 V C -1.904 174.340 176.094 0.249 0.000 1.015 7 V CA -1.979 60.277 62.300 -0.074 0.000 0.834 7 V CB 1.460 32.951 31.823 -0.554 0.000 1.001 7 V HN 0.735 nan 8.190 nan 0.000 0.428 8 P HA 0.241 nan 4.420 nan 0.000 0.274 8 P C 0.355 177.688 177.300 0.055 0.000 1.246 8 P CA -0.344 62.799 63.100 0.072 0.000 0.795 8 P CB 1.517 33.236 31.700 0.032 0.000 1.006 9 A N 1.530 124.375 122.820 0.042 0.000 2.238 9 A HA 0.118 4.438 4.320 -0.001 0.000 0.208 9 A C 1.210 178.819 177.584 0.041 0.000 1.177 9 A CA 0.071 52.131 52.037 0.038 0.000 0.804 9 A CB -0.965 18.052 19.000 0.029 0.000 0.823 9 A HN 0.454 nan 8.150 nan 0.000 0.482 10 L N 1.539 122.793 121.223 0.052 0.000 2.483 10 L HA 0.113 4.452 4.340 -0.001 0.000 0.276 10 L C 1.300 178.185 176.870 0.024 0.000 1.213 10 L CA -0.153 54.717 54.840 0.049 0.000 0.843 10 L CB 0.234 42.328 42.059 0.058 0.000 1.107 10 L HN 0.424 nan 8.230 nan 0.000 0.487 11 T N -1.468 113.094 114.554 0.014 0.000 2.856 11 T HA 0.041 4.391 4.350 -0.001 0.000 0.306 11 T C 0.905 175.598 174.700 -0.012 0.000 1.062 11 T CA -0.646 61.454 62.100 0.000 0.000 1.083 11 T CB 0.886 69.751 68.868 -0.005 0.000 0.984 11 T HN 0.575 nan 8.240 nan 0.000 0.542 12 E N 0.633 120.824 120.200 -0.014 0.000 2.160 12 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 12 E C 2.297 178.872 176.600 -0.041 0.000 0.991 12 E CA 1.480 57.866 56.400 -0.025 0.000 0.810 12 E CB -0.091 29.597 29.700 -0.020 0.000 0.742 12 E HN 0.842 nan 8.360 nan 0.000 0.466 13 E N 0.738 120.915 120.200 -0.039 0.000 2.158 13 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 13 E C 1.648 178.206 176.600 -0.070 0.000 0.982 13 E CA 0.787 57.156 56.400 -0.051 0.000 0.823 13 E CB -0.299 29.377 29.700 -0.040 0.000 0.766 13 E HN 0.380 nan 8.360 nan 0.000 0.468 14 E N 0.993 121.156 120.200 -0.061 0.000 2.077 14 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 14 E C 2.291 178.810 176.600 -0.135 0.000 0.989 14 E CA 0.970 57.320 56.400 -0.084 0.000 0.800 14 E CB -0.146 29.536 29.700 -0.030 0.000 0.746 14 E HN 0.255 nan 8.360 nan 0.000 0.452 15 I N 1.498 122.006 120.570 -0.103 0.000 2.163 15 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 15 I C 1.894 177.906 176.117 -0.175 0.000 1.085 15 I CA 1.072 62.294 61.300 -0.130 0.000 1.347 15 I CB -0.214 37.735 38.000 -0.084 0.000 1.044 15 I HN 0.059 nan 8.210 nan 0.000 0.408 16 D N -0.041 120.276 120.400 -0.139 0.000 2.144 16 D HA -0.162 4.478 4.640 -0.001 0.000 0.200 16 D C 2.288 178.476 176.300 -0.187 0.000 0.978 16 D CA 1.472 55.386 54.000 -0.143 0.000 0.833 16 D CB -0.104 40.641 40.800 -0.092 0.000 0.961 16 D HN 0.212 nan 8.370 nan 0.000 0.470 17 S N 0.020 115.609 115.700 -0.186 0.000 2.355 17 S HA -0.105 4.365 4.470 -0.001 0.000 0.222 17 S C 2.191 176.614 174.600 -0.295 0.000 1.031 17 S CA 0.884 58.960 58.200 -0.206 0.000 0.993 17 S CB -0.253 62.840 63.200 -0.178 0.000 0.859 17 S HN 0.015 nan 8.310 nan 0.000 0.453 18 V N 2.383 122.072 119.914 -0.375 0.000 2.343 18 V HA -0.142 3.978 4.120 -0.001 0.000 0.247 18 V C 2.953 178.766 176.094 -0.468 0.000 1.051 18 V CA 1.812 63.819 62.300 -0.489 0.000 1.036 18 V CB -1.446 30.016 31.823 -0.601 0.000 0.654 18 V HN 0.634 nan 8.190 nan 0.000 0.451 19 A N -0.061 122.452 122.820 -0.511 0.000 1.883 19 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 19 A C 2.184 179.126 177.584 -1.069 0.000 1.186 19 A CA 2.097 53.599 52.037 -0.893 0.000 0.624 19 A CB -0.577 18.005 19.000 -0.697 0.000 0.822 19 A HN 0.503 nan 8.150 nan 0.000 0.444 20 I N -0.628 119.634 120.570 -0.515 0.000 2.163 20 I HA -0.296 3.874 4.170 -0.001 0.000 0.243 20 I C 2.521 178.515 176.117 -0.206 0.000 1.085 20 I CA 1.802 62.950 61.300 -0.253 0.000 1.347 20 I CB -0.256 37.665 38.000 -0.133 0.000 1.044 20 I HN 0.286 nan 8.210 nan 0.000 0.408 21 K N 0.021 120.278 120.400 -0.238 0.000 2.057 21 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 21 K C 2.098 178.623 176.600 -0.125 0.000 1.049 21 K CA 1.865 58.049 56.287 -0.172 0.000 0.931 21 K CB -0.258 32.120 32.500 -0.203 0.000 0.714 21 K HN 0.310 nan 8.250 nan 0.000 0.440 22 T N 0.923 115.362 114.554 -0.191 0.000 2.737 22 T HA -0.093 4.257 4.350 -0.001 0.000 0.265 22 T C 1.623 176.423 174.700 0.165 0.000 1.038 22 T CA 1.293 63.388 62.100 -0.008 0.000 1.144 22 T CB -0.403 68.389 68.868 -0.125 0.000 0.866 22 T HN 0.171 nan 8.240 nan 0.000 0.434 23 F N 1.501 121.455 119.950 0.007 0.000 2.126 23 F HA -0.119 4.408 4.527 -0.001 0.000 0.299 23 F C 2.701 178.512 175.800 0.017 0.000 1.096 23 F CA 0.777 58.774 58.000 -0.005 0.000 1.255 23 F CB -0.354 38.610 39.000 -0.059 0.000 0.997 23 F HN 0.239 nan 8.300 nan 0.000 0.479 24 E N 0.301 120.593 120.200 0.154 0.000 2.072 24 E HA -0.233 4.117 4.350 -0.001 0.000 0.191 24 E C 2.180 178.797 176.600 0.028 0.000 0.985 24 E CA 0.856 57.293 56.400 0.062 0.000 0.801 24 E CB -0.242 29.461 29.700 0.006 0.000 0.750 24 E HN 0.325 nan 8.360 nan 0.000 0.452 25 R N 0.203 120.707 120.500 0.006 0.000 2.091 25 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 25 R C 1.199 177.370 176.300 -0.214 0.000 1.136 25 R CA 1.499 57.522 56.100 -0.129 0.000 0.959 25 R CB -0.129 30.061 30.300 -0.184 0.000 0.856 25 R HN 0.212 nan 8.270 nan 0.000 0.437 26 Y N -0.006 120.340 120.300 0.075 0.000 2.468 26 Y HA 0.395 4.945 4.550 -0.001 0.000 0.268 26 Y C 0.618 176.543 175.900 0.041 0.000 1.177 26 Y CA -0.153 57.994 58.100 0.078 0.000 1.265 26 Y CB 0.425 38.954 38.460 0.115 0.000 1.103 26 Y HN 0.138 nan 8.280 nan 0.000 0.522 27 A N 0.967 123.859 122.820 0.121 0.000 2.462 27 A HA 0.193 4.513 4.320 -0.001 0.000 0.243 27 A C -0.036 177.568 177.584 0.034 0.000 1.076 27 A CA -0.482 51.589 52.037 0.057 0.000 0.773 27 A CB 0.071 19.089 19.000 0.030 0.000 1.010 27 A HN 0.425 nan 8.150 nan 0.000 0.493 28 L N 4.765 125.995 121.223 0.011 0.000 2.433 28 L HA 0.221 4.560 4.340 -0.001 0.000 0.275 28 L C -1.657 175.222 176.870 0.015 0.000 1.128 28 L CA -1.724 53.129 54.840 0.021 0.000 0.875 28 L CB 0.934 43.003 42.059 0.017 0.000 1.171 28 L HN 0.486 nan 8.230 nan 0.000 0.463 29 P HA 0.081 nan 4.420 nan 0.000 0.263 29 P C -0.111 177.211 177.300 0.037 0.000 1.601 29 P CA 0.120 63.234 63.100 0.022 0.000 1.161 29 P CB 0.411 32.123 31.700 0.020 0.000 1.730 30 S N 1.425 117.145 115.700 0.033 0.000 3.556 30 S HA -0.179 4.291 4.470 -0.001 0.000 0.765 30 S C 0.273 174.935 174.600 0.105 0.000 1.989 30 S CA 0.809 59.043 58.200 0.058 0.000 1.958 30 S CB -0.967 62.263 63.200 0.051 0.000 0.321 30 S HN 0.712 nan 8.310 nan 0.000 1.019 31 S N 0.129 115.921 115.700 0.152 0.000 2.777 31 S HA 0.415 4.885 4.470 -0.001 0.000 0.140 31 S C 0.703 175.413 174.600 0.183 0.000 1.233 31 S CA 0.291 58.618 58.200 0.212 0.000 1.157 31 S CB -0.229 63.202 63.200 0.385 0.000 1.600 31 S HN 1.100 nan 8.310 nan 0.000 0.432 32 S N 1.321 117.087 115.700 0.111 0.000 2.453 32 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 32 S C 2.082 176.711 174.600 0.049 0.000 1.005 32 S CA 1.193 59.435 58.200 0.071 0.000 0.949 32 S CB -0.540 62.690 63.200 0.051 0.000 0.774 32 S HN 0.921 nan 8.310 nan 0.000 0.510 33 S N 1.229 116.968 115.700 0.064 0.000 2.382 33 S HA 0.005 4.474 4.470 -0.001 0.000 0.228 33 S C 0.868 175.482 174.600 0.022 0.000 1.027 33 S CA 0.573 58.801 58.200 0.048 0.000 0.991 33 S CB -1.066 62.174 63.200 0.067 0.000 0.823 33 S HN 0.436 nan 8.310 nan 0.000 0.469 34 V N 3.660 123.586 119.914 0.021 0.000 2.521 34 V HA 0.241 4.361 4.120 -0.001 0.000 0.286 34 V C -0.421 175.569 176.094 -0.173 0.000 1.034 34 V CA -0.349 61.891 62.300 -0.101 0.000 1.045 34 V CB 0.391 32.078 31.823 -0.227 0.000 0.974 34 V HN 0.318 nan 8.190 nan 0.000 0.480 35 K N 7.356 127.651 120.400 -0.175 0.000 2.234 35 K HA 0.460 4.780 4.320 -0.001 0.000 0.277 35 K C 0.300 176.764 176.600 -0.227 0.000 1.038 35 K CA -0.341 55.855 56.287 -0.152 0.000 0.888 35 K CB 1.579 34.024 32.500 -0.092 0.000 1.091 35 K HN 0.663 nan 8.250 nan 0.000 0.467 36 R N 0.921 121.291 120.500 -0.216 0.000 2.257 36 R HA 0.072 4.412 4.340 -0.001 0.000 0.195 36 R C 0.413 176.634 176.300 -0.132 0.000 0.921 36 R CA -0.231 55.726 56.100 -0.238 0.000 1.069 36 R CB 0.441 30.567 30.300 -0.290 0.000 1.115 36 R HN 0.429 nan 8.270 nan 0.000 0.571 37 K N 1.111 121.457 120.400 -0.090 0.000 2.484 37 K HA -0.057 4.263 4.320 -0.001 0.000 0.280 37 K C 0.527 177.101 176.600 -0.043 0.000 1.013 37 K CA 1.238 57.494 56.287 -0.052 0.000 1.029 37 K CB 0.284 32.763 32.500 -0.035 0.000 0.902 37 K HN 0.382 nan 8.250 nan 0.000 0.481 38 G N 3.569 112.352 108.800 -0.029 0.000 2.162 38 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.260 38 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.260 38 G C 0.570 175.459 174.900 -0.019 0.000 0.976 38 G CA 0.671 45.760 45.100 -0.018 0.000 0.655 38 G HN 0.760 nan 8.290 nan 0.000 0.533 39 K N 0.432 120.812 120.400 -0.033 0.000 2.459 39 K HA 0.395 4.715 4.320 -0.001 0.000 0.193 39 K C 1.675 178.272 176.600 -0.004 0.000 1.030 39 K CA 0.557 56.827 56.287 -0.028 0.000 1.026 39 K CB 0.096 32.559 32.500 -0.062 0.000 0.809 39 K HN 1.424 nan 8.250 nan 0.000 0.504 40 G N 0.860 109.661 108.800 0.002 0.000 2.741 40 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.222 40 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.222 40 G C -0.434 174.488 174.900 0.036 0.000 1.364 40 G CA -0.710 44.404 45.100 0.023 0.000 0.866 40 G HN -0.015 nan 8.290 nan 0.000 0.555 41 V N 0.420 120.367 119.914 0.054 0.000 2.607 41 V HA 0.667 4.786 4.120 -0.001 0.000 0.289 41 V C 1.003 177.145 176.094 0.080 0.000 1.053 41 V CA 0.724 63.064 62.300 0.066 0.000 0.996 41 V CB 1.392 33.267 31.823 0.087 0.000 0.995 41 V HN 1.196 nan 8.190 nan 0.000 0.476 42 T N 4.830 119.441 114.554 0.095 0.000 2.907 42 T HA 0.701 5.050 4.350 -0.001 0.000 0.292 42 T C -0.846 173.930 174.700 0.126 0.000 1.043 42 T CA -0.458 61.730 62.100 0.146 0.000 1.003 42 T CB 1.120 70.143 68.868 0.259 0.000 1.084 42 T HN 0.405 nan 8.240 nan 0.000 0.483 43 I N 3.744 124.398 120.570 0.139 0.000 2.377 43 I HA 0.459 4.628 4.170 -0.001 0.000 0.293 43 I C -0.816 175.421 176.117 0.201 0.000 0.987 43 I CA -0.954 60.423 61.300 0.128 0.000 1.185 43 I CB 1.770 39.820 38.000 0.085 0.000 1.341 43 I HN 0.368 nan 8.210 nan 0.000 0.455 44 L N 7.630 128.964 121.223 0.185 0.000 2.276 44 L HA 0.383 4.723 4.340 -0.001 0.000 0.286 44 L C -1.217 175.761 176.870 0.180 0.000 1.024 44 L CA -0.205 54.715 54.840 0.134 0.000 0.826 44 L CB 0.693 42.756 42.059 0.006 0.000 1.211 44 L HN 0.588 nan 8.230 nan 0.000 0.422 45 W N 7.252 128.539 121.300 -0.021 0.000 2.311 45 W HA 0.405 5.065 4.660 -0.000 0.000 0.317 45 W C -1.270 175.261 176.519 0.020 0.000 1.065 45 W CA -1.600 55.768 57.345 0.039 0.000 1.364 45 W CB 0.091 29.570 29.460 0.031 0.000 1.233 45 W HN 0.359 nan 8.180 nan 0.000 0.409 46 F N 6.372 126.464 119.950 0.236 0.000 2.429 46 F HA 0.358 4.884 4.527 -0.001 0.000 0.348 46 F C 1.345 177.151 175.800 0.011 0.000 1.109 46 F CA 0.251 58.334 58.000 0.139 0.000 1.232 46 F CB 0.961 40.144 39.000 0.305 0.000 1.157 46 F HN 0.383 nan 8.300 nan 0.000 0.564 47 R N 0.893 121.473 120.500 0.134 0.000 2.834 47 R HA 0.244 4.584 4.340 -0.001 0.000 0.120 47 R C -0.132 176.307 176.300 0.231 0.000 1.716 47 R CA -0.589 55.557 56.100 0.075 0.000 1.406 47 R CB 0.058 30.187 30.300 -0.286 0.000 1.249 47 R HN 0.346 nan 8.270 nan 0.000 0.451 48 N N 2.184 120.931 118.700 0.078 0.000 2.761 48 N HA 0.077 4.817 4.740 -0.001 0.000 0.317 48 N C -1.312 174.232 175.510 0.056 0.000 1.546 48 N CA 0.249 53.340 53.050 0.069 0.000 1.015 48 N CB 0.891 39.326 38.487 -0.086 0.000 1.343 48 N HN 0.370 nan 8.380 nan 0.000 0.504 49 D N -0.491 120.012 120.400 0.171 0.000 2.992 49 D HA 0.057 4.697 4.640 -0.001 0.000 0.372 49 D C 0.026 176.539 176.300 0.354 0.000 1.374 49 D CA -0.282 53.818 54.000 0.167 0.000 0.769 49 D CB -0.600 40.286 40.800 0.143 0.000 1.215 49 D HN 0.081 nan 8.370 nan 0.000 0.473 50 L N 1.634 123.012 121.223 0.260 0.000 2.437 50 L HA 0.317 4.657 4.340 -0.001 0.000 0.243 50 L C 0.528 177.430 176.870 0.053 0.000 1.346 50 L CA -0.057 54.855 54.840 0.119 0.000 1.233 50 L CB -0.683 41.397 42.059 0.035 0.000 1.436 50 L HN 0.185 nan 8.230 nan 0.000 0.416 51 R N -0.997 119.580 120.500 0.128 0.000 2.692 51 R HA 0.501 4.841 4.340 -0.001 0.000 0.269 51 R C -0.631 175.711 176.300 0.069 0.000 1.030 51 R CA -0.973 55.150 56.100 0.037 0.000 0.882 51 R CB 1.488 31.797 30.300 0.015 0.000 1.250 51 R HN -0.147 nan 8.270 nan 0.000 0.465 52 V N 0.871 120.734 119.914 -0.085 0.000 2.795 52 V HA 0.137 4.257 4.120 -0.001 0.000 0.243 52 V C 1.193 177.202 176.094 -0.141 0.000 1.069 52 V CA 0.366 62.593 62.300 -0.122 0.000 1.089 52 V CB -0.143 31.502 31.823 -0.297 0.000 0.756 52 V HN 0.506 nan 8.190 nan 0.000 0.471 53 L N 1.578 122.681 121.223 -0.201 0.000 2.485 53 L HA 0.084 4.424 4.340 -0.001 0.000 0.275 53 L C 0.836 177.641 176.870 -0.108 0.000 1.207 53 L CA 0.517 55.249 54.840 -0.180 0.000 0.855 53 L CB -0.206 41.681 42.059 -0.286 0.000 1.114 53 L HN 0.405 nan 8.230 nan 0.000 0.485 54 D N 2.030 122.392 120.400 -0.062 0.000 2.686 54 D HA -0.248 4.391 4.640 -0.001 0.000 0.235 54 D C -0.346 175.978 176.300 0.041 0.000 1.160 54 D CA 0.587 54.584 54.000 -0.005 0.000 0.645 54 D CB -0.690 40.100 40.800 -0.016 0.000 1.039 54 D HN 0.515 nan 8.370 nan 0.000 0.423 55 N N 0.852 119.592 118.700 0.067 0.000 2.564 55 N HA 0.161 4.901 4.740 -0.001 0.000 0.248 55 N C 0.249 175.844 175.510 0.142 0.000 0.986 55 N CA -0.513 52.619 53.050 0.137 0.000 0.921 55 N CB 1.148 39.709 38.487 0.124 0.000 1.136 55 N HN -0.029 nan 8.380 nan 0.000 0.509 56 D N 2.317 122.826 120.400 0.182 0.000 2.178 56 D HA -0.057 4.582 4.640 -0.001 0.000 0.202 56 D C 1.583 177.893 176.300 0.017 0.000 0.974 56 D CA 0.859 54.942 54.000 0.137 0.000 0.841 56 D CB 0.174 41.083 40.800 0.181 0.000 0.953 56 D HN 0.674 nan 8.370 nan 0.000 0.478 57 A N 0.790 123.493 122.820 -0.195 0.000 1.902 57 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 57 A C 2.130 179.578 177.584 -0.226 0.000 1.181 57 A CA 0.984 52.834 52.037 -0.312 0.000 0.623 57 A CB -0.664 17.969 19.000 -0.612 0.000 0.818 57 A HN 0.254 nan 8.150 nan 0.000 0.443 58 L N -1.654 119.486 121.223 -0.137 0.000 2.017 58 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 58 L C 2.277 179.133 176.870 -0.023 0.000 1.073 58 L CA 2.371 57.161 54.840 -0.084 0.000 0.745 58 L CB -1.043 41.005 42.059 -0.018 0.000 0.894 58 L HN 0.507 nan 8.230 nan 0.000 0.432 59 Y N 0.474 120.745 120.300 -0.048 0.000 2.128 59 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 59 Y C 2.494 178.412 175.900 0.029 0.000 1.154 59 Y CA 2.290 60.422 58.100 0.054 0.000 1.149 59 Y CB -0.101 38.393 38.460 0.056 0.000 0.976 59 Y HN 0.189 nan 8.280 nan 0.000 0.505 60 K N -0.231 120.156 120.400 -0.021 0.000 2.097 60 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 60 K C 2.343 178.483 176.600 -0.767 0.000 1.049 60 K CA 0.996 57.105 56.287 -0.296 0.000 0.933 60 K CB -0.379 31.953 32.500 -0.280 0.000 0.717 60 K HN 0.402 nan 8.250 nan 0.000 0.442 61 A N 1.045 123.322 122.820 -0.905 0.000 1.865 61 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 61 A C 1.961 179.382 177.584 -0.272 0.000 1.191 61 A CA 1.574 53.167 52.037 -0.740 0.000 0.623 61 A CB -1.039 17.775 19.000 -0.310 0.000 0.826 61 A HN 0.619 nan 8.150 nan 0.000 0.444 62 W N 1.909 122.997 121.300 -0.354 0.000 2.335 62 W HA -0.251 4.409 4.660 -0.001 0.000 0.311 62 W C 2.582 178.918 176.519 -0.305 0.000 1.213 62 W CA 2.839 60.012 57.345 -0.286 0.000 1.274 62 W CB -0.487 28.786 29.460 -0.311 0.000 1.148 62 W HN 0.408 nan 8.180 nan 0.000 0.498 63 S N -0.550 114.815 115.700 -0.559 0.000 2.515 63 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 63 S C 1.435 175.775 174.600 -0.433 0.000 0.987 63 S CA 0.962 58.724 58.200 -0.731 0.000 0.936 63 S CB -0.904 61.982 63.200 -0.524 0.000 0.766 63 S HN 0.296 nan 8.310 nan 0.000 0.528 64 S N 0.600 116.122 115.700 -0.296 0.000 2.664 64 S HA 0.489 4.959 4.470 -0.001 0.000 0.245 64 S C 0.230 174.789 174.600 -0.069 0.000 1.019 64 S CA -0.095 58.032 58.200 -0.122 0.000 0.996 64 S CB -0.092 63.125 63.200 0.029 0.000 0.878 64 S HN 0.660 nan 8.310 nan 0.000 0.493 65 S N 0.691 116.299 115.700 -0.153 0.000 2.685 65 S HA 0.594 5.064 4.470 -0.001 0.000 0.282 65 S C -0.578 173.941 174.600 -0.135 0.000 1.159 65 S CA -0.273 57.878 58.200 -0.082 0.000 0.833 65 S CB 1.345 64.537 63.200 -0.013 0.000 1.151 65 S HN 0.178 nan 8.310 nan 0.000 0.485 66 D N -0.867 119.494 120.400 -0.065 0.000 2.407 66 D HA 0.258 4.898 4.640 -0.001 0.000 0.208 66 D C -0.091 176.209 176.300 -0.000 0.000 1.083 66 D CA 0.094 54.062 54.000 -0.053 0.000 0.844 66 D CB 0.340 41.120 40.800 -0.033 0.000 0.967 66 D HN 0.511 nan 8.370 nan 0.000 0.506 67 T N 0.285 114.852 114.554 0.021 0.000 3.172 67 T HA 0.465 4.815 4.350 -0.001 0.000 0.320 67 T C -0.798 173.938 174.700 0.060 0.000 1.085 67 T CA -0.556 61.575 62.100 0.051 0.000 1.052 67 T CB 1.642 70.542 68.868 0.052 0.000 1.107 67 T HN 0.012 nan 8.240 nan 0.000 0.458 68 I N 3.020 123.638 120.570 0.080 0.000 2.433 68 I HA 0.497 4.666 4.170 -0.001 0.000 0.292 68 I C -0.944 175.224 176.117 0.085 0.000 1.001 68 I CA -1.101 60.254 61.300 0.090 0.000 1.119 68 I CB 1.957 40.026 38.000 0.116 0.000 1.289 68 I HN 0.341 nan 8.210 nan 0.000 0.438 69 L N 9.505 130.761 121.223 0.054 0.000 2.313 69 L HA 0.583 4.922 4.340 -0.001 0.000 0.273 69 L C -2.586 174.374 176.870 0.150 0.000 1.028 69 L CA -2.006 52.856 54.840 0.038 0.000 0.871 69 L CB 0.548 42.483 42.059 -0.206 0.000 1.242 69 L HN 0.230 nan 8.230 nan 0.000 0.434 70 P HA 0.289 nan 4.420 nan 0.000 0.276 70 P C -1.218 176.318 177.300 0.394 0.000 1.235 70 P CA -0.106 63.214 63.100 0.368 0.000 0.772 70 P CB 1.302 33.258 31.700 0.426 0.000 0.871 71 V N 4.312 124.492 119.914 0.444 0.000 2.709 71 V HA 0.383 4.503 4.120 -0.001 0.000 0.308 71 V C -1.127 175.292 176.094 0.543 0.000 1.062 71 V CA -0.679 61.858 62.300 0.395 0.000 0.901 71 V CB 1.941 33.912 31.823 0.248 0.000 1.003 71 V HN 0.410 nan 8.190 nan 0.000 0.425 72 Y N 3.521 124.021 120.300 0.333 0.000 2.350 72 Y HA 0.614 5.163 4.550 -0.001 0.000 0.338 72 Y C -0.281 175.778 175.900 0.265 0.000 0.961 72 Y CA -0.637 57.665 58.100 0.336 0.000 1.100 72 Y CB 1.540 40.134 38.460 0.224 0.000 1.179 72 Y HN 0.685 nan 8.280 nan 0.000 0.454 73 C N 7.539 126.612 119.300 -0.379 0.000 2.255 73 C HA 0.307 4.766 4.460 -0.001 0.000 0.326 73 C C -0.206 174.553 174.990 -0.386 0.000 1.258 73 C CA -1.268 57.609 59.018 -0.236 0.000 1.676 73 C CB -0.025 27.646 27.740 -0.115 0.000 2.314 73 C HN 0.710 nan 8.230 nan 0.000 0.509 74 L N 5.006 126.234 121.223 0.009 0.000 2.454 74 L HA 0.172 4.511 4.340 -0.001 0.000 0.284 74 L C 0.261 177.211 176.870 0.134 0.000 1.139 74 L CA 1.030 55.997 54.840 0.211 0.000 0.911 74 L CB -0.533 41.701 42.059 0.292 0.000 1.262 74 L HN 0.711 nan 8.230 nan 0.000 0.453 75 D N 7.794 128.266 120.400 0.119 0.000 2.371 75 D HA 0.121 4.760 4.640 -0.001 0.000 0.256 75 D C -1.448 174.908 176.300 0.094 0.000 1.193 75 D CA -1.636 52.412 54.000 0.079 0.000 0.881 75 D CB 1.650 42.489 40.800 0.066 0.000 1.143 75 D HN 0.363 nan 8.370 nan 0.000 0.473 76 P HA -0.133 nan 4.420 nan 0.000 0.219 76 P C 1.003 178.079 177.300 -0.374 0.000 1.146 76 P CA 0.831 63.905 63.100 -0.043 0.000 0.808 76 P CB 0.337 32.034 31.700 -0.006 0.000 0.779 77 R N -0.852 119.460 120.500 -0.313 0.000 2.189 77 R HA -0.035 4.305 4.340 -0.001 0.000 0.223 77 R C 2.199 178.353 176.300 -0.242 0.000 1.092 77 R CA 0.399 56.276 56.100 -0.373 0.000 0.989 77 R CB -0.880 29.382 30.300 -0.062 0.000 0.876 77 R HN 0.146 nan 8.270 nan 0.000 0.457 78 L N -0.364 120.766 121.223 -0.154 0.000 2.362 78 L HA -0.039 4.300 4.340 -0.001 0.000 0.219 78 L C 0.444 176.983 176.870 -0.552 0.000 1.134 78 L CA 1.638 56.312 54.840 -0.277 0.000 0.807 78 L CB 0.115 42.039 42.059 -0.225 0.000 0.927 78 L HN 0.025 nan 8.230 nan 0.000 0.447 79 F N -2.312 117.573 119.950 -0.107 0.000 2.850 79 F HA 0.269 4.796 4.527 -0.001 0.000 0.329 79 F C 1.265 177.085 175.800 0.032 0.000 1.182 79 F CA -0.495 57.490 58.000 -0.024 0.000 1.270 79 F CB -0.216 38.787 39.000 0.005 0.000 0.979 79 F HN 0.088 nan 8.300 nan 0.000 0.506 80 H N -0.656 118.481 119.070 0.113 0.000 3.483 80 H HA 0.456 5.012 4.556 -0.001 0.000 0.110 80 H C 0.700 176.056 175.328 0.045 0.000 1.563 80 H CA 0.169 56.260 56.048 0.071 0.000 1.592 80 H CB 0.232 30.011 29.762 0.029 0.000 0.828 80 H HN 0.045 nan 8.280 nan 0.000 0.727 81 T N -0.802 113.848 114.554 0.161 0.000 2.901 81 T HA 0.307 4.656 4.350 -0.001 0.000 0.293 81 T C -0.005 174.694 174.700 -0.001 0.000 1.084 81 T CA -0.875 61.269 62.100 0.073 0.000 1.008 81 T CB 1.567 70.460 68.868 0.043 0.000 1.170 81 T HN 0.626 nan 8.240 nan 0.000 0.509 82 T N -1.131 113.414 114.554 -0.014 0.000 2.813 82 T HA 0.189 4.538 4.350 -0.001 0.000 0.297 82 T C 1.077 175.681 174.700 -0.160 0.000 1.036 82 T CA 0.113 62.174 62.100 -0.065 0.000 1.044 82 T CB 0.454 69.311 68.868 -0.018 0.000 0.993 82 T HN 0.863 nan 8.240 nan 0.000 0.535 83 H N 0.440 119.324 119.070 -0.310 0.000 2.270 83 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 83 H C 1.324 176.258 175.328 -0.656 0.000 1.077 83 H CA 2.047 57.776 56.048 -0.531 0.000 1.294 83 H CB -0.165 29.143 29.762 -0.756 0.000 1.371 83 H HN 0.614 nan 8.280 nan 0.000 0.491 84 F N -1.783 117.985 119.950 -0.302 0.000 2.374 84 F HA 0.128 4.655 4.527 -0.001 0.000 0.291 84 F C 1.047 176.239 175.800 -1.012 0.000 1.084 84 F CA 0.338 57.911 58.000 -0.712 0.000 1.413 84 F CB 0.244 38.644 39.000 -0.999 0.000 1.099 84 F HN 0.123 nan 8.300 nan 0.000 0.534 85 F N -0.719 119.048 119.950 -0.306 0.000 2.706 85 F HA 0.252 4.779 4.527 -0.001 0.000 0.313 85 F C 0.146 175.572 175.800 -0.624 0.000 1.096 85 F CA -0.712 56.953 58.000 -0.559 0.000 1.219 85 F CB -0.999 37.441 39.000 -0.933 0.000 1.051 85 F HN -0.146 nan 8.300 nan 0.000 0.568 86 N N 0.191 118.693 118.700 -0.330 0.000 2.740 86 N HA -0.214 4.526 4.740 -0.001 0.000 0.248 86 N C -0.717 174.833 175.510 0.065 0.000 1.062 86 N CA 0.014 52.987 53.050 -0.129 0.000 0.704 86 N CB -1.449 36.999 38.487 -0.065 0.000 0.968 86 N HN 0.039 nan 8.380 nan 0.000 0.547 87 F N 0.100 120.161 119.950 0.185 0.000 2.375 87 F HA 0.420 4.946 4.527 -0.001 0.000 0.313 87 F C -1.496 174.397 175.800 0.156 0.000 1.176 87 F CA -2.756 55.387 58.000 0.239 0.000 1.142 87 F CB -0.578 38.646 39.000 0.373 0.000 1.275 87 F HN -0.169 nan 8.300 nan 0.000 0.544 88 P HA 0.040 nan 4.420 nan 0.000 0.267 88 P C 0.375 177.741 177.300 0.111 0.000 1.205 88 P CA -0.021 63.200 63.100 0.202 0.000 0.765 88 P CB 0.659 32.464 31.700 0.176 0.000 0.828 89 K N 2.432 122.861 120.400 0.049 0.000 2.063 89 K HA -0.056 4.264 4.320 -0.001 0.000 0.208 89 K C 0.102 176.606 176.600 -0.160 0.000 1.048 89 K CA 1.799 58.051 56.287 -0.060 0.000 0.928 89 K CB -0.413 32.040 32.500 -0.079 0.000 0.713 89 K HN 0.404 nan 8.250 nan 0.000 0.442 90 T N 0.622 115.066 114.554 -0.184 0.000 2.847 90 T HA 0.524 4.874 4.350 -0.001 0.000 0.291 90 T C -0.146 174.545 174.700 -0.014 0.000 0.998 90 T CA -0.570 61.408 62.100 -0.203 0.000 0.967 90 T CB 1.551 70.104 68.868 -0.525 0.000 0.954 90 T HN 0.319 nan 8.240 nan 0.000 0.441 91 G N 1.143 109.922 108.800 -0.036 0.000 2.667 91 G HA2 0.449 4.409 3.960 -0.001 0.000 0.250 91 G HA3 0.449 4.409 3.960 -0.001 0.000 0.250 91 G C 1.196 176.144 174.900 0.080 0.000 1.212 91 G CA -0.180 44.919 45.100 -0.003 0.000 0.874 91 G HN 0.835 nan 8.290 nan 0.000 0.561 92 A N 0.373 123.244 122.820 0.084 0.000 1.933 92 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 92 A C 2.414 180.057 177.584 0.099 0.000 1.175 92 A CA 1.349 53.452 52.037 0.109 0.000 0.628 92 A CB -0.398 18.653 19.000 0.085 0.000 0.814 92 A HN 0.547 nan 8.150 nan 0.000 0.444 93 L N -1.359 119.901 121.223 0.062 0.000 2.056 93 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 93 L C 2.798 179.723 176.870 0.093 0.000 1.078 93 L CA 1.780 56.660 54.840 0.067 0.000 0.749 93 L CB -0.437 41.640 42.059 0.031 0.000 0.901 93 L HN 0.457 nan 8.230 nan 0.000 0.433 94 R N 0.296 120.842 120.500 0.076 0.000 2.092 94 R HA -0.105 4.235 4.340 -0.001 0.000 0.231 94 R C 2.287 178.727 176.300 0.233 0.000 1.119 94 R CA 1.274 57.461 56.100 0.146 0.000 0.970 94 R CB -0.478 29.903 30.300 0.134 0.000 0.864 94 R HN 0.338 nan 8.270 nan 0.000 0.440 95 G N -0.376 108.567 108.800 0.239 0.000 2.476 95 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 95 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 95 G C 1.432 176.450 174.900 0.196 0.000 1.164 95 G CA 0.910 46.209 45.100 0.332 0.000 0.768 95 G HN 0.521 nan 8.290 nan 0.000 0.560 96 G N 0.013 108.897 108.800 0.139 0.000 2.402 96 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.216 96 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.216 96 G C 1.629 176.552 174.900 0.038 0.000 1.162 96 G CA 0.803 45.949 45.100 0.077 0.000 0.777 96 G HN 0.358 nan 8.290 nan 0.000 0.539 97 F N 0.869 120.759 119.950 -0.100 0.000 2.095 97 F HA -0.062 4.465 4.527 -0.001 0.000 0.298 97 F C 2.346 177.890 175.800 -0.426 0.000 1.104 97 F CA 1.397 59.255 58.000 -0.236 0.000 1.232 97 F CB -0.188 38.652 39.000 -0.268 0.000 0.987 97 F HN 0.128 nan 8.300 nan 0.000 0.475 98 L N 0.241 121.305 121.223 -0.265 0.000 2.013 98 L HA -0.269 4.071 4.340 -0.001 0.000 0.212 98 L C 2.122 178.819 176.870 -0.288 0.000 1.073 98 L CA 1.932 56.536 54.840 -0.395 0.000 0.753 98 L CB -0.873 41.219 42.059 0.055 0.000 0.890 98 L HN 0.135 nan 8.230 nan 0.000 0.432 99 M N -0.581 118.928 119.600 -0.151 0.000 2.117 99 M HA -0.196 4.284 4.480 -0.001 0.000 0.262 99 M C 2.209 178.389 176.300 -0.199 0.000 1.065 99 M CA 1.603 56.822 55.300 -0.136 0.000 1.114 99 M CB -1.386 31.175 32.600 -0.065 0.000 1.361 99 M HN 0.385 nan 8.290 nan 0.000 0.408 100 E N -0.399 119.651 120.200 -0.249 0.000 2.077 100 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 100 E C 2.207 178.609 176.600 -0.330 0.000 0.989 100 E CA 1.453 57.688 56.400 -0.275 0.000 0.800 100 E CB -0.203 29.308 29.700 -0.314 0.000 0.746 100 E HN 0.477 nan 8.360 nan 0.000 0.452 101 C N 0.671 119.693 119.300 -0.465 0.000 2.413 101 C HA -0.135 4.324 4.460 -0.001 0.000 0.276 101 C C 2.571 177.380 174.990 -0.302 0.000 1.248 101 C CA 0.540 59.319 59.018 -0.397 0.000 1.742 101 C CB -0.912 26.542 27.740 -0.477 0.000 2.017 101 C HN 0.400 nan 8.230 nan 0.000 0.481 102 L N 0.145 121.179 121.223 -0.315 0.000 2.056 102 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 102 L C 2.603 179.344 176.870 -0.215 0.000 1.078 102 L CA 1.076 55.736 54.840 -0.299 0.000 0.749 102 L CB -0.739 41.136 42.059 -0.308 0.000 0.901 102 L HN 0.197 nan 8.230 nan 0.000 0.433 103 V N 0.174 119.980 119.914 -0.179 0.000 2.287 103 V HA -0.349 3.770 4.120 -0.001 0.000 0.248 103 V C 2.179 178.191 176.094 -0.137 0.000 1.053 103 V CA 2.320 64.538 62.300 -0.135 0.000 1.027 103 V CB -0.504 31.251 31.823 -0.113 0.000 0.646 103 V HN 0.487 nan 8.190 nan 0.000 0.447 104 D N -0.517 119.795 120.400 -0.147 0.000 2.117 104 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 104 D C 1.937 178.152 176.300 -0.141 0.000 0.982 104 D CA 1.001 54.928 54.000 -0.122 0.000 0.828 104 D CB -0.105 40.631 40.800 -0.107 0.000 0.967 104 D HN 0.270 nan 8.370 nan 0.000 0.464 105 L N 0.869 121.976 121.223 -0.194 0.000 2.017 105 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 105 L C 2.322 179.052 176.870 -0.233 0.000 1.073 105 L CA 1.757 56.447 54.840 -0.249 0.000 0.745 105 L CB -0.705 41.127 42.059 -0.378 0.000 0.894 105 L HN -0.036 nan 8.230 nan 0.000 0.432 106 R N -0.214 120.162 120.500 -0.207 0.000 2.083 106 R HA -0.250 4.090 4.340 -0.001 0.000 0.237 106 R C 2.472 178.670 176.300 -0.170 0.000 1.137 106 R CA 2.099 58.090 56.100 -0.183 0.000 0.951 106 R CB -0.367 29.844 30.300 -0.148 0.000 0.851 106 R HN 0.453 nan 8.270 nan 0.000 0.434 107 K N -0.018 120.298 120.400 -0.140 0.000 2.026 107 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 107 K C 1.616 178.149 176.600 -0.112 0.000 1.048 107 K CA 1.853 58.072 56.287 -0.113 0.000 0.929 107 K CB -0.102 32.348 32.500 -0.084 0.000 0.713 107 K HN 0.231 nan 8.250 nan 0.000 0.439 108 N N 0.949 119.575 118.700 -0.122 0.000 2.270 108 N HA -0.097 4.642 4.740 -0.001 0.000 0.181 108 N C 1.900 177.298 175.510 -0.186 0.000 1.016 108 N CA 0.860 53.821 53.050 -0.147 0.000 0.870 108 N CB -0.130 38.248 38.487 -0.181 0.000 0.979 108 N HN 0.223 nan 8.380 nan 0.000 0.431 109 L N 0.462 121.578 121.223 -0.178 0.000 2.046 109 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 109 L C 2.318 179.092 176.870 -0.159 0.000 1.077 109 L CA 0.894 55.639 54.840 -0.159 0.000 0.747 109 L CB -0.306 41.666 42.059 -0.144 0.000 0.896 109 L HN 0.128 nan 8.230 nan 0.000 0.432 110 M N -0.525 118.973 119.600 -0.172 0.000 2.149 110 M HA -0.236 4.243 4.480 -0.001 0.000 0.261 110 M C 2.136 178.364 176.300 -0.121 0.000 1.064 110 M CA 1.716 56.918 55.300 -0.164 0.000 1.102 110 M CB -0.308 32.193 32.600 -0.166 0.000 1.369 110 M HN 0.108 nan 8.290 nan 0.000 0.408 111 K N -0.167 120.167 120.400 -0.110 0.000 2.280 111 K HA -0.093 4.226 4.320 -0.001 0.000 0.202 111 K C 1.396 177.941 176.600 -0.093 0.000 1.047 111 K CA 0.795 57.031 56.287 -0.085 0.000 0.942 111 K CB -0.021 32.438 32.500 -0.068 0.000 0.739 111 K HN 0.339 nan 8.250 nan 0.000 0.457 112 R N -0.441 119.989 120.500 -0.117 0.000 2.468 112 R HA 0.106 4.445 4.340 -0.001 0.000 0.280 112 R C 0.607 176.854 176.300 -0.089 0.000 0.963 112 R CA 0.568 56.597 56.100 -0.118 0.000 1.083 112 R CB 1.059 31.264 30.300 -0.158 0.000 1.200 112 R HN 0.345 nan 8.270 nan 0.000 0.541 113 G N 1.450 110.202 108.800 -0.080 0.000 2.136 113 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 113 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 113 G C 0.050 174.914 174.900 -0.061 0.000 0.989 113 G CA 0.095 45.160 45.100 -0.058 0.000 0.682 113 G HN 0.196 nan 8.290 nan 0.000 0.522 114 L N -1.184 119.980 121.223 -0.097 0.000 2.267 114 L HA 0.787 5.127 4.340 -0.001 0.000 0.264 114 L C 0.315 177.027 176.870 -0.264 0.000 1.021 114 L CA -1.308 53.466 54.840 -0.111 0.000 0.861 114 L CB 1.740 43.770 42.059 -0.049 0.000 1.443 114 L HN 0.147 nan 8.230 nan 0.000 0.475 115 N N -0.250 118.219 118.700 -0.385 0.000 2.853 115 N HA 0.470 5.210 4.740 -0.001 0.000 0.258 115 N C -2.011 173.303 175.510 -0.326 0.000 1.444 115 N CA -0.474 52.189 53.050 -0.644 0.000 0.837 115 N CB 2.123 39.654 38.487 -1.593 0.000 1.489 115 N HN 0.345 nan 8.380 nan 0.000 0.529 116 L N 1.918 123.023 121.223 -0.197 0.000 2.319 116 L HA 0.559 4.899 4.340 -0.001 0.000 0.281 116 L C -1.166 175.922 176.870 0.363 0.000 1.005 116 L CA -0.692 54.209 54.840 0.101 0.000 0.828 116 L CB 0.949 42.994 42.059 -0.023 0.000 1.227 116 L HN 0.509 nan 8.230 nan 0.000 0.415 117 L N 6.636 128.191 121.223 0.554 0.000 2.361 117 L HA 0.467 4.807 4.340 -0.001 0.000 0.278 117 L C -0.702 176.354 176.870 0.311 0.000 1.113 117 L CA 0.594 55.714 54.840 0.467 0.000 0.849 117 L CB 0.191 42.390 42.059 0.234 0.000 1.155 117 L HN 0.537 nan 8.230 nan 0.000 0.452 118 I N 6.081 126.811 120.570 0.266 0.000 2.378 118 I HA 0.534 4.704 4.170 -0.001 0.000 0.291 118 I C -0.169 176.056 176.117 0.180 0.000 0.992 118 I CA -0.749 60.698 61.300 0.245 0.000 1.154 118 I CB 1.079 39.207 38.000 0.214 0.000 1.315 118 I HN 0.510 nan 8.210 nan 0.000 0.448 119 R N 3.537 124.136 120.500 0.164 0.000 2.725 119 R HA 0.499 4.839 4.340 -0.001 0.000 0.277 119 R C -1.197 175.161 176.300 0.097 0.000 0.987 119 R CA -0.904 55.258 56.100 0.103 0.000 0.901 119 R CB 2.371 32.709 30.300 0.064 0.000 1.207 119 R HN 0.475 nan 8.270 nan 0.000 0.463 120 S N 0.419 116.163 115.700 0.074 0.000 2.475 120 S HA 0.802 5.272 4.470 -0.001 0.000 0.281 120 S C 0.139 174.762 174.600 0.039 0.000 1.198 120 S CA -0.106 58.133 58.200 0.065 0.000 1.063 120 S CB 1.521 64.752 63.200 0.053 0.000 0.972 120 S HN 0.846 nan 8.310 nan 0.000 0.486 121 G N 2.569 111.388 108.800 0.033 0.000 2.359 121 G HA2 0.176 4.136 3.960 -0.001 0.000 0.293 121 G HA3 0.176 4.136 3.960 -0.001 0.000 0.293 121 G C -2.000 172.899 174.900 -0.001 0.000 1.300 121 G CA -1.107 44.002 45.100 0.015 0.000 0.888 121 G HN 0.523 nan 8.290 nan 0.000 0.541 122 K N 1.261 121.654 120.400 -0.011 0.000 2.297 122 K HA 0.331 4.651 4.320 -0.001 0.000 0.286 122 K C -1.662 174.888 176.600 -0.083 0.000 1.053 122 K CA -1.507 54.764 56.287 -0.026 0.000 0.940 122 K CB 1.968 34.459 32.500 -0.014 0.000 1.019 122 K HN 0.073 nan 8.250 nan 0.000 0.475 123 P HA -0.271 nan 4.420 nan 0.000 0.216 123 P C 0.891 177.995 177.300 -0.327 0.000 1.150 123 P CA 1.312 64.221 63.100 -0.318 0.000 0.843 123 P CB 0.175 31.609 31.700 -0.443 0.000 0.787 124 E N 0.137 120.212 120.200 -0.208 0.000 2.418 124 E HA -0.153 4.197 4.350 -0.001 0.000 0.197 124 E C 1.282 177.812 176.600 -0.117 0.000 1.026 124 E CA 1.070 57.372 56.400 -0.162 0.000 0.862 124 E CB -0.509 29.135 29.700 -0.093 0.000 0.799 124 E HN 0.386 nan 8.360 nan 0.000 0.518 125 E N 0.492 120.631 120.200 -0.101 0.000 2.162 125 E HA 0.131 4.480 4.350 -0.001 0.000 0.193 125 E C 2.261 178.812 176.600 -0.081 0.000 0.953 125 E CA 0.226 56.582 56.400 -0.073 0.000 0.849 125 E CB 0.103 29.776 29.700 -0.046 0.000 0.810 125 E HN 0.187 nan 8.360 nan 0.000 0.470 126 I N 1.325 121.835 120.570 -0.100 0.000 2.202 126 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 126 I C 2.318 178.372 176.117 -0.106 0.000 1.091 126 I CA 1.024 62.271 61.300 -0.089 0.000 1.368 126 I CB -0.119 37.828 38.000 -0.088 0.000 1.058 126 I HN 0.065 nan 8.210 nan 0.000 0.410 127 L N 0.393 121.504 121.223 -0.187 0.000 2.027 127 L HA -0.119 4.220 4.340 -0.001 0.000 0.206 127 L C -0.272 176.530 176.870 -0.112 0.000 1.074 127 L CA 1.499 56.222 54.840 -0.194 0.000 0.745 127 L CB -1.949 39.887 42.059 -0.371 0.000 0.898 127 L HN 0.180 nan 8.230 nan 0.000 0.433 128 P HA -0.166 nan 4.420 nan 0.000 0.216 128 P C 1.901 179.176 177.300 -0.041 0.000 1.150 128 P CA 1.481 64.539 63.100 -0.069 0.000 0.837 128 P CB 0.066 31.724 31.700 -0.070 0.000 0.786 129 S N -1.061 114.614 115.700 -0.041 0.000 2.368 129 S HA -0.105 4.364 4.470 -0.001 0.000 0.225 129 S C 1.831 176.431 174.600 0.000 0.000 1.030 129 S CA 0.994 59.177 58.200 -0.028 0.000 0.999 129 S CB -1.020 62.161 63.200 -0.031 0.000 0.844 129 S HN -0.024 nan 8.310 nan 0.000 0.459 130 L N 1.035 122.280 121.223 0.036 0.000 2.056 130 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 130 L C 2.999 179.978 176.870 0.181 0.000 1.078 130 L CA 1.187 56.120 54.840 0.154 0.000 0.749 130 L CB -0.736 41.406 42.059 0.138 0.000 0.901 130 L HN 0.426 nan 8.230 nan 0.000 0.433 131 A N -0.042 122.824 122.820 0.077 0.000 1.902 131 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 131 A C 2.402 180.018 177.584 0.054 0.000 1.181 131 A CA 1.977 54.053 52.037 0.065 0.000 0.623 131 A CB -0.412 18.594 19.000 0.010 0.000 0.818 131 A HN 0.317 nan 8.150 nan 0.000 0.443 132 K N -0.603 119.806 120.400 0.015 0.000 2.001 132 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 132 K C 1.431 178.004 176.600 -0.045 0.000 1.048 132 K CA 1.590 57.868 56.287 -0.016 0.000 0.932 132 K CB -0.206 32.274 32.500 -0.033 0.000 0.715 132 K HN 0.359 nan 8.250 nan 0.000 0.437 133 D N -0.065 120.283 120.400 -0.087 0.000 2.123 133 D HA -0.156 4.484 4.640 -0.001 0.000 0.196 133 D C 1.344 177.425 176.300 -0.366 0.000 0.992 133 D CA 1.279 55.119 54.000 -0.267 0.000 0.833 133 D CB -0.103 40.453 40.800 -0.406 0.000 0.954 133 D HN 0.224 nan 8.370 nan 0.000 0.455 134 F N -0.492 119.440 119.950 -0.030 0.000 2.695 134 F HA 0.306 4.833 4.527 -0.000 0.000 0.303 134 F C 1.580 177.374 175.800 -0.010 0.000 1.091 134 F CA 0.084 58.072 58.000 -0.021 0.000 1.300 134 F CB 0.321 39.310 39.000 -0.018 0.000 1.071 134 F HN -0.053 nan 8.300 nan 0.000 0.578 135 G N 1.454 110.320 108.800 0.109 0.000 2.295 135 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.287 135 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.287 135 G C 0.299 175.248 174.900 0.080 0.000 1.055 135 G CA 0.006 45.147 45.100 0.069 0.000 0.922 135 G HN 0.646 nan 8.290 nan 0.000 0.503 136 A N -0.423 122.453 122.820 0.093 0.000 2.450 136 A HA 0.628 4.948 4.320 -0.001 0.000 0.255 136 A C 1.416 179.022 177.584 0.036 0.000 1.096 136 A CA 0.480 52.560 52.037 0.072 0.000 0.778 136 A CB 0.281 19.325 19.000 0.073 0.000 1.031 136 A HN 0.572 nan 8.150 nan 0.000 0.494 137 R N 0.521 121.040 120.500 0.033 0.000 2.153 137 R HA 0.027 4.367 4.340 -0.001 0.000 0.218 137 R C 0.134 176.418 176.300 -0.027 0.000 1.072 137 R CA 1.479 57.585 56.100 0.010 0.000 0.990 137 R CB -0.082 30.232 30.300 0.022 0.000 0.889 137 R HN 0.883 nan 8.270 nan 0.000 0.452 138 T N -3.162 111.371 114.554 -0.035 0.000 2.889 138 T HA 0.455 4.804 4.350 -0.001 0.000 0.315 138 T C -0.757 173.868 174.700 -0.124 0.000 1.291 138 T CA -0.877 61.127 62.100 -0.160 0.000 1.028 138 T CB 2.382 71.048 68.868 -0.338 0.000 1.235 138 T HN -0.232 nan 8.240 nan 0.000 0.491 139 V N 2.547 122.347 119.914 -0.190 0.000 2.378 139 V HA 0.564 4.684 4.120 -0.001 0.000 0.288 139 V C -0.999 175.006 176.094 -0.148 0.000 1.016 139 V CA -0.725 61.541 62.300 -0.058 0.000 0.840 139 V CB 0.650 32.477 31.823 0.007 0.000 0.994 139 V HN 0.854 nan 8.190 nan 0.000 0.431 140 F N 3.084 123.078 119.950 0.075 0.000 2.399 140 F HA 0.848 5.375 4.527 -0.001 0.000 0.334 140 F C 0.539 176.347 175.800 0.012 0.000 1.097 140 F CA -0.114 57.900 58.000 0.025 0.000 1.076 140 F CB 1.898 40.879 39.000 -0.031 0.000 1.162 140 F HN 0.619 nan 8.300 nan 0.000 0.495 141 A N 1.555 124.444 122.820 0.116 0.000 2.601 141 A HA 0.577 4.896 4.320 -0.001 0.000 0.291 141 A C -1.743 175.735 177.584 -0.178 0.000 1.075 141 A CA -0.797 51.184 52.037 -0.093 0.000 0.671 141 A CB 0.649 19.573 19.000 -0.127 0.000 1.277 141 A HN 0.798 nan 8.150 nan 0.000 0.417 142 H N 0.513 119.473 119.070 -0.183 0.000 2.582 142 H HA 0.441 4.996 4.556 -0.001 0.000 0.345 142 H C 0.177 175.401 175.328 -0.173 0.000 1.104 142 H CA 0.353 56.304 56.048 -0.162 0.000 1.390 142 H CB 0.961 30.596 29.762 -0.212 0.000 1.461 142 H HN 0.591 nan 8.280 nan 0.000 0.551 143 K N 2.671 123.088 120.400 0.029 0.000 2.368 143 K HA 0.051 4.371 4.320 -0.001 0.000 0.282 143 K C -0.395 176.157 176.600 -0.081 0.000 1.035 143 K CA -0.095 56.210 56.287 0.030 0.000 0.973 143 K CB 0.499 33.116 32.500 0.195 0.000 0.957 143 K HN 0.515 nan 8.250 nan 0.000 0.474 144 E N 1.248 121.426 120.200 -0.038 0.000 2.259 144 E HA 0.228 4.578 4.350 -0.001 0.000 0.257 144 E C 0.318 176.950 176.600 0.053 0.000 0.998 144 E CA -0.155 56.213 56.400 -0.054 0.000 0.866 144 E CB 1.606 31.271 29.700 -0.057 0.000 1.220 144 E HN 0.825 nan 8.360 nan 0.000 0.415 145 T N -3.842 110.746 114.554 0.058 0.000 2.987 145 T HA 0.177 4.527 4.350 -0.001 0.000 0.248 145 T C 1.021 175.793 174.700 0.119 0.000 0.997 145 T CA -0.122 62.057 62.100 0.131 0.000 1.013 145 T CB -0.210 68.750 68.868 0.152 0.000 1.077 145 T HN 0.326 nan 8.240 nan 0.000 0.483 146 C N 2.374 121.735 119.300 0.103 0.000 2.443 146 C HA 0.711 5.171 4.460 -0.001 0.000 0.369 146 C C 2.460 177.517 174.990 0.111 0.000 1.241 146 C CA 0.058 59.163 59.018 0.145 0.000 2.413 146 C CB 1.117 28.981 27.740 0.206 0.000 2.451 146 C HN 0.631 nan 8.230 nan 0.000 0.595 147 S N 0.845 116.620 115.700 0.126 0.000 2.393 147 S HA -0.246 4.223 4.470 -0.001 0.000 0.235 147 S C 1.589 176.208 174.600 0.030 0.000 1.061 147 S CA 2.570 60.811 58.200 0.069 0.000 1.129 147 S CB -0.401 62.825 63.200 0.043 0.000 1.011 147 S HN 0.842 nan 8.310 nan 0.000 0.436 148 E N -0.018 120.175 120.200 -0.012 0.000 2.077 148 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 148 E C 2.266 178.886 176.600 0.034 0.000 0.989 148 E CA 1.561 57.957 56.400 -0.008 0.000 0.800 148 E CB -0.172 29.501 29.700 -0.044 0.000 0.746 148 E HN 0.576 nan 8.360 nan 0.000 0.452 149 E N 0.075 120.299 120.200 0.041 0.000 2.072 149 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 149 E C 2.072 178.722 176.600 0.082 0.000 0.982 149 E CA 0.556 56.990 56.400 0.056 0.000 0.803 149 E CB -0.030 29.685 29.700 0.025 0.000 0.755 149 E HN 0.032 nan 8.360 nan 0.000 0.453 150 V N 1.117 121.078 119.914 0.079 0.000 2.515 150 V HA -0.206 3.913 4.120 -0.001 0.000 0.250 150 V C 1.806 177.955 176.094 0.092 0.000 1.058 150 V CA 1.830 64.186 62.300 0.093 0.000 1.064 150 V CB -0.428 31.452 31.823 0.096 0.000 0.675 150 V HN 0.228 nan 8.190 nan 0.000 0.461 151 D N 0.184 120.630 120.400 0.076 0.000 2.144 151 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 151 D C 2.025 178.372 176.300 0.079 0.000 0.984 151 D CA 1.207 55.247 54.000 0.066 0.000 0.834 151 D CB 0.001 40.829 40.800 0.047 0.000 0.955 151 D HN 0.221 nan 8.370 nan 0.000 0.465 152 V N 0.525 120.502 119.914 0.104 0.000 2.343 152 V HA -0.207 3.913 4.120 -0.001 0.000 0.247 152 V C 2.231 178.435 176.094 0.182 0.000 1.051 152 V CA 1.805 64.189 62.300 0.139 0.000 1.036 152 V CB -0.538 31.406 31.823 0.202 0.000 0.654 152 V HN 0.255 nan 8.190 nan 0.000 0.451 153 E N -0.021 120.311 120.200 0.219 0.000 2.058 153 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 153 E C 2.428 179.107 176.600 0.131 0.000 0.997 153 E CA 1.565 58.103 56.400 0.230 0.000 0.801 153 E CB -0.264 29.548 29.700 0.187 0.000 0.746 153 E HN 0.474 nan 8.360 nan 0.000 0.450 154 R N 0.937 121.494 120.500 0.095 0.000 2.083 154 R HA -0.168 4.172 4.340 -0.001 0.000 0.237 154 R C 2.328 178.651 176.300 0.038 0.000 1.137 154 R CA 1.272 57.408 56.100 0.061 0.000 0.951 154 R CB -0.267 30.065 30.300 0.055 0.000 0.851 154 R HN 0.164 nan 8.270 nan 0.000 0.434 155 L N 0.267 121.509 121.223 0.033 0.000 2.083 155 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 155 L C 2.484 179.338 176.870 -0.026 0.000 1.083 155 L CA 0.847 55.689 54.840 0.005 0.000 0.752 155 L CB -0.277 41.784 42.059 0.005 0.000 0.899 155 L HN 0.089 nan 8.230 nan 0.000 0.433 156 V N -0.002 119.887 119.914 -0.040 0.000 2.295 156 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 156 V C 2.251 178.308 176.094 -0.062 0.000 1.049 156 V CA 2.108 64.342 62.300 -0.111 0.000 1.024 156 V CB -0.691 31.005 31.823 -0.212 0.000 0.648 156 V HN 0.481 nan 8.190 nan 0.000 0.447 157 N N 0.097 118.791 118.700 -0.010 0.000 2.104 157 N HA -0.206 4.534 4.740 -0.001 0.000 0.190 157 N C 1.943 177.446 175.510 -0.012 0.000 1.024 157 N CA 1.735 54.784 53.050 -0.002 0.000 0.853 157 N CB -0.192 38.309 38.487 0.024 0.000 1.008 157 N HN 0.563 nan 8.380 nan 0.000 0.424 158 Q N -1.037 118.758 119.800 -0.008 0.000 2.119 158 Q HA 0.011 4.351 4.340 -0.001 0.000 0.201 158 Q C 2.060 178.046 176.000 -0.022 0.000 0.972 158 Q CA 1.208 57.005 55.803 -0.010 0.000 0.847 158 Q CB -0.269 28.467 28.738 -0.003 0.000 0.903 158 Q HN 0.483 nan 8.270 nan 0.000 0.433 159 G N 1.074 109.853 108.800 -0.035 0.000 2.418 159 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.217 159 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.217 159 G C 1.398 176.270 174.900 -0.046 0.000 1.158 159 G CA 0.535 45.607 45.100 -0.046 0.000 0.771 159 G HN 0.172 nan 8.290 nan 0.000 0.545 160 L N -0.111 121.082 121.223 -0.050 0.000 2.056 160 L HA -0.017 4.322 4.340 -0.001 0.000 0.207 160 L C 2.816 179.667 176.870 -0.032 0.000 1.078 160 L CA 1.377 56.190 54.840 -0.045 0.000 0.749 160 L CB -0.320 41.709 42.059 -0.049 0.000 0.901 160 L HN 0.187 nan 8.230 nan 0.000 0.433 161 K N 0.332 120.717 120.400 -0.026 0.000 2.063 161 K HA -0.239 4.081 4.320 -0.001 0.000 0.208 161 K C 2.301 178.890 176.600 -0.018 0.000 1.048 161 K CA 1.453 57.728 56.287 -0.019 0.000 0.928 161 K CB -0.039 32.453 32.500 -0.013 0.000 0.713 161 K HN 0.058 nan 8.250 nan 0.000 0.442 162 R N 0.347 120.834 120.500 -0.020 0.000 2.189 162 R HA -0.071 4.269 4.340 -0.001 0.000 0.223 162 R C 1.706 177.994 176.300 -0.021 0.000 1.092 162 R CA 1.233 57.322 56.100 -0.019 0.000 0.989 162 R CB 0.112 30.400 30.300 -0.020 0.000 0.876 162 R HN 0.241 nan 8.270 nan 0.000 0.457 163 V N -3.020 116.880 119.914 -0.024 0.000 3.649 163 V HA 0.452 4.571 4.120 -0.001 0.000 0.275 163 V C 0.477 176.559 176.094 -0.020 0.000 1.281 163 V CA 0.482 62.768 62.300 -0.023 0.000 1.143 163 V CB -0.016 31.791 31.823 -0.027 0.000 0.892 163 V HN 0.367 nan 8.190 nan 0.000 0.441 164 G N -0.112 108.677 108.800 -0.018 0.000 2.351 164 G HA2 0.009 3.969 3.960 -0.001 0.000 0.353 164 G HA3 0.009 3.969 3.960 -0.001 0.000 0.353 164 G C -0.942 173.949 174.900 -0.015 0.000 1.358 164 G CA -0.372 44.719 45.100 -0.015 0.000 0.995 164 G HN 0.316 nan 8.290 nan 0.000 0.611 165 N N -0.459 118.234 118.700 -0.012 0.000 2.292 165 N HA 0.607 5.346 4.740 -0.001 0.000 0.278 165 N C 1.639 177.141 175.510 -0.014 0.000 1.289 165 N CA 0.821 53.863 53.050 -0.012 0.000 0.934 165 N CB 0.105 38.587 38.487 -0.009 0.000 1.069 165 N HN 1.307 nan 8.380 nan 0.000 0.513 166 S N -1.842 113.850 115.700 -0.013 0.000 3.186 166 S HA -0.194 4.276 4.470 -0.001 0.000 0.249 166 S C 0.017 174.604 174.600 -0.022 0.000 1.453 166 S CA 1.605 59.797 58.200 -0.014 0.000 3.213 166 S CB -1.630 61.564 63.200 -0.009 0.000 0.764 166 S HN 0.666 nan 8.310 nan 0.000 0.474 167 T N 4.589 119.129 114.554 -0.023 0.000 2.761 167 T HA 0.366 4.716 4.350 -0.001 0.000 0.287 167 T C -0.083 174.588 174.700 -0.049 0.000 0.931 167 T CA 0.602 62.681 62.100 -0.034 0.000 1.164 167 T CB 0.244 69.095 68.868 -0.028 0.000 0.876 167 T HN 0.441 nan 8.240 nan 0.000 0.534 168 K N 3.486 123.841 120.400 -0.075 0.000 2.244 168 K HA 0.451 4.771 4.320 -0.001 0.000 0.260 168 K C -0.694 175.828 176.600 -0.130 0.000 0.951 168 K CA -0.997 55.238 56.287 -0.088 0.000 0.826 168 K CB 0.902 33.348 32.500 -0.090 0.000 1.108 168 K HN 0.309 nan 8.250 nan 0.000 0.433 169 L N 4.283 125.455 121.223 -0.085 0.000 2.361 169 L HA 0.210 4.550 4.340 -0.001 0.000 0.278 169 L C -0.817 175.995 176.870 -0.096 0.000 1.113 169 L CA 0.651 55.450 54.840 -0.070 0.000 0.849 169 L CB 0.640 42.708 42.059 0.014 0.000 1.155 169 L HN 0.583 nan 8.230 nan 0.000 0.452 170 E N 6.883 126.969 120.200 -0.189 0.000 2.145 170 E HA 0.340 4.690 4.350 -0.001 0.000 0.262 170 E C -1.146 175.456 176.600 0.004 0.000 0.883 170 E CA -0.405 55.901 56.400 -0.156 0.000 0.748 170 E CB 1.769 31.203 29.700 -0.443 0.000 1.140 170 E HN 0.578 nan 8.360 nan 0.000 0.417 171 L N 3.953 125.220 121.223 0.072 0.000 2.296 171 L HA 0.458 4.797 4.340 -0.001 0.000 0.286 171 L C -0.191 176.767 176.870 0.147 0.000 1.023 171 L CA -0.796 54.105 54.840 0.102 0.000 0.812 171 L CB 0.974 43.099 42.059 0.110 0.000 1.223 171 L HN 0.291 nan 8.230 nan 0.000 0.421 172 I N 2.166 122.809 120.570 0.121 0.000 2.404 172 I HA 0.184 4.353 4.170 -0.001 0.000 0.293 172 I C -0.144 176.127 176.117 0.256 0.000 0.992 172 I CA -0.598 60.807 61.300 0.176 0.000 1.149 172 I CB 1.798 39.833 38.000 0.058 0.000 1.315 172 I HN 0.721 nan 8.210 nan 0.000 0.446 173 W N 6.488 127.890 121.300 0.170 0.000 2.210 173 W HA 0.434 5.094 4.660 -0.001 0.000 0.330 173 W C -0.213 176.394 176.519 0.147 0.000 1.334 173 W CA 0.430 57.839 57.345 0.106 0.000 1.227 173 W CB 1.243 30.686 29.460 -0.029 0.000 1.178 173 W HN 0.659 nan 8.180 nan 0.000 0.560 174 G N 1.663 109.984 108.800 -0.798 0.000 2.815 174 G HA2 0.444 4.404 3.960 -0.001 0.000 0.305 174 G HA3 0.444 4.404 3.960 -0.001 0.000 0.305 174 G C -0.037 174.354 174.900 -0.847 0.000 1.277 174 G CA 0.171 44.921 45.100 -0.584 0.000 0.795 174 G HN 0.578 nan 8.290 nan 0.000 0.528 175 S N -2.162 113.223 115.700 -0.524 0.000 1.630 175 S HA -0.250 4.220 4.470 -0.001 0.000 0.242 175 S C 0.984 175.465 174.600 -0.198 0.000 0.845 175 S CA 2.203 60.170 58.200 -0.389 0.000 1.337 175 S CB -2.098 60.810 63.200 -0.487 0.000 1.633 175 S HN 2.077 nan 8.310 nan 0.000 0.521 176 T N -0.096 114.392 114.554 -0.111 0.000 2.934 176 T HA 0.750 5.100 4.350 -0.001 0.000 0.283 176 T C 0.838 175.617 174.700 0.133 0.000 1.005 176 T CA -0.090 62.052 62.100 0.070 0.000 1.041 176 T CB 1.523 70.526 68.868 0.226 0.000 1.042 176 T HN 0.280 nan 8.240 nan 0.000 0.505 177 M N 0.445 120.124 119.600 0.132 0.000 2.123 177 M HA 0.157 4.637 4.480 -0.001 0.000 0.263 177 M C -0.482 175.784 176.300 -0.057 0.000 1.069 177 M CA 1.059 56.368 55.300 0.014 0.000 1.133 177 M CB 0.060 32.630 32.600 -0.051 0.000 1.356 177 M HN 0.695 nan 8.290 nan 0.000 0.415 178 Y N 0.591 121.020 120.300 0.214 0.000 2.327 178 Y HA 0.174 4.724 4.550 -0.001 0.000 0.336 178 Y C 0.188 176.332 175.900 0.407 0.000 1.035 178 Y CA -0.715 57.530 58.100 0.241 0.000 1.165 178 Y CB 0.237 38.819 38.460 0.203 0.000 1.181 178 Y HN 0.056 nan 8.280 nan 0.000 0.494 179 H N 4.255 123.545 119.070 0.366 0.000 2.764 179 H HA 0.024 4.580 4.556 -0.001 0.000 0.341 179 H C 1.079 176.502 175.328 0.158 0.000 1.072 179 H CA 0.386 56.642 56.048 0.346 0.000 1.444 179 H CB 1.154 31.052 29.762 0.225 0.000 1.458 179 H HN 0.837 nan 8.280 nan 0.000 0.572 180 K N 3.014 123.348 120.400 -0.111 0.000 2.089 180 K HA -0.190 4.129 4.320 -0.001 0.000 0.210 180 K C 0.840 177.337 176.600 -0.171 0.000 1.048 180 K CA 2.100 58.143 56.287 -0.407 0.000 0.926 180 K CB 0.171 31.963 32.500 -1.181 0.000 0.714 180 K HN 0.592 nan 8.250 nan 0.000 0.448 181 D N 0.648 121.133 120.400 0.142 0.000 2.310 181 D HA -0.107 4.533 4.640 -0.001 0.000 0.212 181 D C 0.846 177.127 176.300 -0.033 0.000 0.965 181 D CA 0.914 54.934 54.000 0.033 0.000 0.879 181 D CB -0.057 40.757 40.800 0.023 0.000 0.921 181 D HN 0.290 nan 8.370 nan 0.000 0.510 182 D N -0.302 120.104 120.400 0.011 0.000 2.350 182 D HA 0.080 4.719 4.640 -0.001 0.000 0.213 182 D C 0.860 177.083 176.300 -0.128 0.000 1.031 182 D CA -0.072 53.907 54.000 -0.035 0.000 0.861 182 D CB 0.492 41.322 40.800 0.050 0.000 0.926 182 D HN 0.208 nan 8.370 nan 0.000 0.520 183 L N 1.458 122.557 121.223 -0.208 0.000 2.473 183 L HA 0.109 4.448 4.340 -0.001 0.000 0.268 183 L C -1.213 175.338 176.870 -0.531 0.000 1.215 183 L CA -1.109 53.477 54.840 -0.424 0.000 0.823 183 L CB 0.232 42.015 42.059 -0.460 0.000 1.099 183 L HN -0.161 nan 8.230 nan 0.000 0.483 184 P HA 0.111 nan 4.420 nan 0.000 0.255 184 P C -1.032 175.887 177.300 -0.634 0.000 1.301 184 P CA 0.351 63.024 63.100 -0.711 0.000 0.817 184 P CB -0.063 31.228 31.700 -0.683 0.000 1.259 185 F N -2.890 116.994 119.950 -0.110 0.000 2.693 185 F HA 0.502 5.028 4.527 -0.001 0.000 0.309 185 F C -0.519 175.214 175.800 -0.112 0.000 1.129 185 F CA -2.508 55.441 58.000 -0.085 0.000 0.948 185 F CB 0.072 39.039 39.000 -0.055 0.000 1.315 185 F HN -0.373 nan 8.300 nan 0.000 0.447 186 D N 0.477 120.966 120.400 0.150 0.000 2.362 186 D HA 0.325 4.965 4.640 -0.001 0.000 0.242 186 D C 1.280 177.642 176.300 0.103 0.000 1.132 186 D CA -0.085 53.944 54.000 0.048 0.000 0.907 186 D CB 1.734 42.522 40.800 -0.021 0.000 1.195 186 D HN 0.608 nan 8.370 nan 0.000 0.429 187 V N 1.318 121.253 119.914 0.036 0.000 2.720 187 V HA -0.148 3.972 4.120 -0.001 0.000 0.256 187 V C 1.892 178.108 176.094 0.204 0.000 1.082 187 V CA 1.063 63.406 62.300 0.071 0.000 1.101 187 V CB -1.015 30.848 31.823 0.067 0.000 0.693 187 V HN 0.489 nan 8.190 nan 0.000 0.479 188 F N 1.259 121.187 119.950 -0.036 0.000 2.269 188 F HA 0.008 4.535 4.527 -0.001 0.000 0.301 188 F C 1.972 177.737 175.800 -0.057 0.000 1.082 188 F CA 1.031 59.009 58.000 -0.036 0.000 1.360 188 F CB -0.508 38.483 39.000 -0.016 0.000 1.041 188 F HN 0.330 nan 8.300 nan 0.000 0.512 189 D N 0.360 120.827 120.400 0.111 0.000 2.525 189 D HA 0.056 4.695 4.640 -0.001 0.000 0.229 189 D C 0.160 176.318 176.300 -0.236 0.000 1.202 189 D CA -0.152 53.835 54.000 -0.022 0.000 0.828 189 D CB 0.212 41.031 40.800 0.032 0.000 1.008 189 D HN 0.049 nan 8.370 nan 0.000 0.493 190 L N 2.267 123.341 121.223 -0.248 0.000 2.540 190 L HA 0.104 4.444 4.340 -0.001 0.000 0.276 190 L C -2.278 174.390 176.870 -0.335 0.000 1.212 190 L CA -0.599 53.981 54.840 -0.433 0.000 0.893 190 L CB 0.256 42.175 42.059 -0.234 0.000 1.138 190 L HN -0.210 nan 8.230 nan 0.000 0.491 191 P HA 0.020 nan 4.420 nan 0.000 0.265 191 P C -0.434 176.874 177.300 0.012 0.000 1.193 191 P CA 0.097 63.098 63.100 -0.164 0.000 0.765 191 P CB 0.481 32.094 31.700 -0.145 0.000 0.823 192 D N 0.838 121.251 120.400 0.022 0.000 2.363 192 D HA -0.001 4.638 4.640 -0.001 0.000 0.220 192 D C 0.171 176.561 176.300 0.151 0.000 0.994 192 D CA 0.881 54.940 54.000 0.098 0.000 0.890 192 D CB 0.119 40.950 40.800 0.051 0.000 0.906 192 D HN 0.076 nan 8.370 nan 0.000 0.530 193 V N 1.679 121.634 119.914 0.069 0.000 2.417 193 V HA 0.057 4.177 4.120 -0.001 0.000 0.291 193 V C 0.793 176.781 176.094 -0.178 0.000 1.024 193 V CA -0.937 61.379 62.300 0.027 0.000 0.861 193 V CB 1.564 33.403 31.823 0.027 0.000 0.985 193 V HN 0.017 nan 8.190 nan 0.000 0.436 194 Y N 4.438 124.408 120.300 -0.550 0.000 2.114 194 Y HA -0.283 4.266 4.550 -0.001 0.000 0.282 194 Y C 2.323 177.860 175.900 -0.604 0.000 1.165 194 Y CA 2.693 60.104 58.100 -1.148 0.000 1.148 194 Y CB -0.203 37.295 38.460 -1.603 0.000 0.972 194 Y HN 0.668 nan 8.280 nan 0.000 0.504 195 T N 0.771 115.132 114.554 -0.321 0.000 2.759 195 T HA -0.262 4.088 4.350 -0.001 0.000 0.269 195 T C 1.673 176.197 174.700 -0.293 0.000 1.042 195 T CA 1.952 63.890 62.100 -0.271 0.000 1.140 195 T CB -0.269 68.611 68.868 0.019 0.000 0.864 195 T HN 0.536 nan 8.240 nan 0.000 0.455 196 Q N -0.297 119.382 119.800 -0.202 0.000 2.079 196 Q HA -0.044 4.296 4.340 -0.001 0.000 0.200 196 Q C 2.044 177.957 176.000 -0.144 0.000 0.974 196 Q CA 1.286 57.009 55.803 -0.134 0.000 0.840 196 Q CB -0.339 28.355 28.738 -0.073 0.000 0.898 196 Q HN 0.562 nan 8.270 nan 0.000 0.430 197 F N 1.657 121.384 119.950 -0.373 0.000 2.075 197 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 197 F C 2.436 177.996 175.800 -0.400 0.000 1.113 197 F CA 1.703 59.523 58.000 -0.300 0.000 1.218 197 F CB -0.134 38.651 39.000 -0.357 0.000 0.984 197 F HN -0.145 nan 8.300 nan 0.000 0.472 198 R N 0.722 120.730 120.500 -0.821 0.000 2.070 198 R HA -0.183 4.156 4.340 -0.001 0.000 0.233 198 R C 2.304 178.281 176.300 -0.538 0.000 1.137 198 R CA 2.007 57.589 56.100 -0.863 0.000 0.945 198 R CB -0.333 29.373 30.300 -0.991 0.000 0.845 198 R HN 0.282 nan 8.270 nan 0.000 0.430 199 K N -0.040 120.141 120.400 -0.365 0.000 2.063 199 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 199 K C 2.252 178.711 176.600 -0.236 0.000 1.048 199 K CA 1.960 58.115 56.287 -0.219 0.000 0.928 199 K CB -0.092 32.327 32.500 -0.135 0.000 0.713 199 K HN 0.136 nan 8.250 nan 0.000 0.442 200 S N 0.784 116.333 115.700 -0.252 0.000 2.353 200 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 200 S C 2.236 176.597 174.600 -0.398 0.000 1.035 200 S CA 1.685 59.744 58.200 -0.235 0.000 1.025 200 S CB -0.424 62.745 63.200 -0.053 0.000 0.902 200 S HN 0.334 nan 8.310 nan 0.000 0.440 201 V N 0.652 120.185 119.914 -0.635 0.000 2.427 201 V HA -0.094 4.026 4.120 -0.001 0.000 0.248 201 V C 1.866 177.621 176.094 -0.566 0.000 1.051 201 V CA 1.654 63.462 62.300 -0.820 0.000 1.048 201 V CB -0.939 30.010 31.823 -1.458 0.000 0.666 201 V HN 0.383 nan 8.190 nan 0.000 0.456 202 E N 1.128 121.082 120.200 -0.409 0.000 2.106 202 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 202 E C 2.326 178.866 176.600 -0.100 0.000 0.984 202 E CA 1.354 57.663 56.400 -0.152 0.000 0.806 202 E CB -0.292 29.362 29.700 -0.077 0.000 0.750 202 E HN 0.747 nan 8.360 nan 0.000 0.458 203 A N 1.011 123.746 122.820 -0.142 0.000 1.935 203 A HA -0.065 4.254 4.320 -0.001 0.000 0.214 203 A C 1.794 179.317 177.584 -0.102 0.000 1.178 203 A CA 0.979 52.956 52.037 -0.100 0.000 0.640 203 A CB 0.130 19.071 19.000 -0.099 0.000 0.825 203 A HN -0.007 nan 8.150 nan 0.000 0.447 204 K N -2.038 118.268 120.400 -0.156 0.000 2.380 204 K HA 0.237 4.557 4.320 -0.001 0.000 0.198 204 K C -0.471 176.048 176.600 -0.135 0.000 1.070 204 K CA -0.063 56.134 56.287 -0.150 0.000 1.040 204 K CB 0.633 33.013 32.500 -0.199 0.000 0.903 204 K HN 0.438 nan 8.250 nan 0.000 0.549 205 C N 0.234 119.458 119.300 -0.126 0.000 2.595 205 C HA 0.584 5.044 4.460 -0.001 0.000 0.338 205 C C 0.266 175.322 174.990 0.109 0.000 1.219 205 C CA -0.835 58.169 59.018 -0.024 0.000 1.811 205 C CB 1.751 29.469 27.740 -0.036 0.000 2.313 205 C HN 0.148 nan 8.230 nan 0.000 0.499 206 S N 0.247 116.015 115.700 0.113 0.000 2.621 206 S HA 0.668 5.138 4.470 -0.001 0.000 0.302 206 S C -0.702 173.901 174.600 0.004 0.000 1.093 206 S CA -0.388 57.858 58.200 0.078 0.000 1.017 206 S CB 0.888 64.115 63.200 0.045 0.000 1.077 206 S HN 0.523 nan 8.310 nan 0.000 0.517 207 I N 2.196 122.661 120.570 -0.176 0.000 2.353 207 I HA 0.322 4.491 4.170 -0.001 0.000 0.293 207 I C 0.568 176.645 176.117 -0.067 0.000 0.992 207 I CA -0.489 60.615 61.300 -0.325 0.000 1.268 207 I CB 0.844 38.386 38.000 -0.763 0.000 1.387 207 I HN 0.398 nan 8.210 nan 0.000 0.478 208 R N 3.604 124.103 120.500 -0.002 0.000 2.641 208 R HA 0.247 4.586 4.340 -0.001 0.000 0.269 208 R C 0.070 176.435 176.300 0.108 0.000 1.074 208 R CA -0.388 55.749 56.100 0.063 0.000 1.133 208 R CB 0.537 30.885 30.300 0.081 0.000 1.029 208 R HN 0.574 nan 8.270 nan 0.000 0.488 209 S N 0.887 116.656 115.700 0.116 0.000 2.573 209 S HA 0.009 4.479 4.470 -0.001 0.000 0.277 209 S C 0.068 174.751 174.600 0.139 0.000 1.346 209 S CA -0.363 57.924 58.200 0.145 0.000 1.034 209 S CB 0.852 64.123 63.200 0.118 0.000 0.879 209 S HN 0.475 nan 8.310 nan 0.000 0.528 210 S N 2.089 117.896 115.700 0.178 0.000 2.560 210 S HA 0.087 4.556 4.470 -0.001 0.000 0.284 210 S C 0.427 175.091 174.600 0.107 0.000 1.327 210 S CA -0.267 58.023 58.200 0.150 0.000 1.055 210 S CB 0.207 63.513 63.200 0.176 0.000 0.868 210 S HN 0.689 nan 8.310 nan 0.000 0.506 211 T N 5.283 119.869 114.554 0.054 0.000 2.834 211 T HA 0.167 4.516 4.350 -0.001 0.000 0.298 211 T C 0.335 175.042 174.700 0.012 0.000 0.966 211 T CA -0.483 61.605 62.100 -0.020 0.000 1.141 211 T CB 0.118 68.949 68.868 -0.060 0.000 0.905 211 T HN 0.335 nan 8.240 nan 0.000 0.535 212 R N 3.019 123.518 120.500 -0.001 0.000 2.357 212 R HA 0.457 4.797 4.340 -0.001 0.000 0.296 212 R C -0.300 176.025 176.300 0.043 0.000 1.052 212 R CA -0.780 55.350 56.100 0.051 0.000 0.988 212 R CB 0.505 30.843 30.300 0.063 0.000 1.025 212 R HN 0.470 nan 8.270 nan 0.000 0.469 213 I N 4.486 125.061 120.570 0.008 0.000 2.404 213 I HA 0.338 4.508 4.170 -0.001 0.000 0.293 213 I C -2.053 173.955 176.117 -0.181 0.000 0.992 213 I CA -2.960 58.293 61.300 -0.079 0.000 1.149 213 I CB 1.601 39.534 38.000 -0.111 0.000 1.315 213 I HN 0.236 nan 8.210 nan 0.000 0.446 214 P HA 0.191 nan 4.420 nan 0.000 0.272 214 P C 0.794 177.932 177.300 -0.271 0.000 1.230 214 P CA -0.301 62.594 63.100 -0.342 0.000 0.788 214 P CB 1.340 32.687 31.700 -0.589 0.000 0.949 215 L N -0.001 121.124 121.223 -0.164 0.000 2.376 215 L HA -0.018 4.322 4.340 -0.001 0.000 0.219 215 L C 1.415 178.208 176.870 -0.129 0.000 1.133 215 L CA 1.156 55.920 54.840 -0.126 0.000 0.816 215 L CB -0.264 41.755 42.059 -0.066 0.000 0.933 215 L HN 0.392 nan 8.230 nan 0.000 0.449 216 S N -0.334 115.282 115.700 -0.140 0.000 2.566 216 S HA 0.455 4.924 4.470 -0.001 0.000 0.324 216 S C 0.300 174.821 174.600 -0.132 0.000 1.081 216 S CA -0.639 57.506 58.200 -0.091 0.000 1.105 216 S CB 0.935 64.124 63.200 -0.018 0.000 0.981 216 S HN 0.175 nan 8.310 nan 0.000 0.464 217 L N 4.113 125.266 121.223 -0.117 0.000 2.731 217 L HA 0.407 4.747 4.340 -0.001 0.000 0.240 217 L C 1.584 178.499 176.870 0.076 0.000 1.120 217 L CA -0.189 54.590 54.840 -0.103 0.000 0.913 217 L CB -0.005 41.954 42.059 -0.167 0.000 1.213 217 L HN 0.730 nan 8.230 nan 0.000 0.515 218 G N 0.854 109.687 108.800 0.056 0.000 2.611 218 G HA2 0.373 4.333 3.960 -0.001 0.000 0.273 218 G HA3 0.373 4.333 3.960 -0.001 0.000 0.273 218 G C -2.362 172.601 174.900 0.105 0.000 1.305 218 G CA -0.492 44.652 45.100 0.072 0.000 1.010 218 G HN -0.108 nan 8.290 nan 0.000 0.509 219 P HA 0.347 nan 4.420 nan 0.000 0.284 219 P C -0.060 177.298 177.300 0.097 0.000 1.287 219 P CA -0.340 62.808 63.100 0.080 0.000 0.824 219 P CB 1.338 33.083 31.700 0.075 0.000 1.180 220 T N -3.201 111.427 114.554 0.124 0.000 2.912 220 T HA 0.594 4.944 4.350 -0.001 0.000 0.280 220 T C -2.390 172.389 174.700 0.131 0.000 0.989 220 T CA -1.959 60.240 62.100 0.163 0.000 0.995 220 T CB -0.061 69.011 68.868 0.340 0.000 1.077 220 T HN 0.179 nan 8.240 nan 0.000 0.531 221 P HA 0.267 nan 4.420 nan 0.000 0.273 221 P C -0.430 176.943 177.300 0.121 0.000 1.250 221 P CA -0.570 62.571 63.100 0.069 0.000 0.793 221 P CB 0.248 31.916 31.700 -0.054 0.000 1.011 222 S N 0.091 115.889 115.700 0.164 0.000 2.455 222 S HA 0.269 4.739 4.470 -0.001 0.000 0.278 222 S C -0.488 174.186 174.600 0.125 0.000 1.216 222 S CA -0.386 57.902 58.200 0.147 0.000 1.055 222 S CB -0.767 62.505 63.200 0.119 0.000 0.939 222 S HN 0.153 nan 8.310 nan 0.000 0.494 223 V N 5.883 125.788 119.914 -0.016 0.000 2.487 223 V HA 0.301 4.421 4.120 -0.001 0.000 0.298 223 V C 0.321 176.289 176.094 -0.209 0.000 1.028 223 V CA -0.715 61.423 62.300 -0.271 0.000 0.860 223 V CB 1.912 33.053 31.823 -1.137 0.000 0.991 223 V HN 0.817 nan 8.190 nan 0.000 0.427 224 D N 1.920 122.246 120.400 -0.123 0.000 2.149 224 D HA -0.004 4.636 4.640 -0.001 0.000 0.201 224 D C 0.431 176.701 176.300 -0.050 0.000 0.972 224 D CA 1.376 55.345 54.000 -0.052 0.000 0.835 224 D CB 0.401 41.182 40.800 -0.033 0.000 0.966 224 D HN 0.635 nan 8.370 nan 0.000 0.476 225 D N -1.376 118.951 120.400 -0.121 0.000 2.575 225 D HA 0.094 4.733 4.640 -0.001 0.000 0.250 225 D C -0.241 176.002 176.300 -0.096 0.000 1.279 225 D CA -0.629 53.346 54.000 -0.042 0.000 0.925 225 D CB 0.280 41.077 40.800 -0.005 0.000 1.261 225 D HN -0.127 nan 8.370 nan 0.000 0.567 226 W N 3.335 124.664 121.300 0.048 0.000 2.678 226 W HA 0.293 4.953 4.660 -0.001 0.000 0.256 226 W C 1.387 177.933 176.519 0.046 0.000 1.280 226 W CA 0.920 58.291 57.345 0.044 0.000 1.345 226 W CB 0.320 29.798 29.460 0.029 0.000 1.118 226 W HN 0.715 nan 8.180 nan 0.000 0.629 227 G N 1.133 110.063 108.800 0.215 0.000 2.719 227 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 227 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 227 G C -0.869 174.109 174.900 0.131 0.000 1.201 227 G CA -1.043 44.144 45.100 0.144 0.000 0.768 227 G HN -0.112 nan 8.290 nan 0.000 0.629 228 D N -0.487 119.967 120.400 0.090 0.000 2.329 228 D HA 0.427 5.067 4.640 -0.001 0.000 0.246 228 D C 1.007 177.343 176.300 0.060 0.000 1.111 228 D CA -0.238 53.801 54.000 0.065 0.000 0.941 228 D CB 1.611 42.438 40.800 0.044 0.000 1.169 228 D HN 0.416 nan 8.370 nan 0.000 0.441 229 V N 3.718 123.653 119.914 0.034 0.000 2.529 229 V HA 0.104 4.224 4.120 -0.001 0.000 0.292 229 V C -1.566 174.537 176.094 0.016 0.000 1.028 229 V CA -0.964 61.347 62.300 0.018 0.000 1.074 229 V CB 0.280 32.093 31.823 -0.016 0.000 0.958 229 V HN 0.473 nan 8.190 nan 0.000 0.481 230 P HA 0.203 nan 4.420 nan 0.000 0.270 230 P C -0.254 177.030 177.300 -0.026 0.000 1.223 230 P CA -0.108 62.994 63.100 0.002 0.000 0.785 230 P CB 0.511 32.216 31.700 0.008 0.000 0.923 231 T N -1.811 112.718 114.554 -0.042 0.000 2.918 231 T HA 0.367 4.717 4.350 -0.001 0.000 0.286 231 T C 1.372 176.018 174.700 -0.089 0.000 1.026 231 T CA -0.894 61.177 62.100 -0.048 0.000 1.031 231 T CB 0.723 69.574 68.868 -0.028 0.000 1.046 231 T HN 0.174 nan 8.240 nan 0.000 0.479 232 L N 1.014 122.189 121.223 -0.079 0.000 2.083 232 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 232 L C 3.004 179.821 176.870 -0.088 0.000 1.083 232 L CA 1.337 56.111 54.840 -0.108 0.000 0.752 232 L CB -0.501 41.538 42.059 -0.034 0.000 0.899 232 L HN 0.812 nan 8.230 nan 0.000 0.433 233 E N 0.685 120.858 120.200 -0.045 0.000 2.051 233 E HA -0.281 4.069 4.350 -0.001 0.000 0.192 233 E C 1.970 178.549 176.600 -0.034 0.000 0.991 233 E CA 1.271 57.656 56.400 -0.025 0.000 0.799 233 E CB -0.401 29.294 29.700 -0.008 0.000 0.748 233 E HN 0.324 nan 8.360 nan 0.000 0.449 234 K N 0.769 121.142 120.400 -0.046 0.000 2.160 234 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 234 K C 2.079 178.640 176.600 -0.066 0.000 1.047 234 K CA 0.955 57.216 56.287 -0.044 0.000 0.930 234 K CB -0.227 32.247 32.500 -0.043 0.000 0.720 234 K HN 0.129 nan 8.250 nan 0.000 0.450 235 L N -0.722 120.422 121.223 -0.133 0.000 2.612 235 L HA 0.152 4.492 4.340 -0.001 0.000 0.230 235 L C 0.857 177.680 176.870 -0.079 0.000 1.140 235 L CA 0.245 54.968 54.840 -0.194 0.000 0.896 235 L CB -0.034 41.692 42.059 -0.555 0.000 1.065 235 L HN 0.427 nan 8.230 nan 0.000 0.447 236 G N 0.251 109.035 108.800 -0.026 0.000 2.160 236 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.251 236 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.251 236 G C -0.033 174.897 174.900 0.050 0.000 1.008 236 G CA 0.119 45.236 45.100 0.028 0.000 0.724 236 G HN 0.142 nan 8.290 nan 0.000 0.514 237 V N 0.064 119.992 119.914 0.023 0.000 2.448 237 V HA 0.557 4.677 4.120 -0.001 0.000 0.295 237 V C 0.262 176.382 176.094 0.043 0.000 1.025 237 V CA -0.928 61.408 62.300 0.061 0.000 0.859 237 V CB 1.874 33.748 31.823 0.086 0.000 0.988 237 V HN 0.398 nan 8.190 nan 0.000 0.431 238 E N 7.223 127.458 120.200 0.058 0.000 2.217 238 E HA 0.324 4.674 4.350 -0.001 0.000 0.279 238 E C -2.458 174.172 176.600 0.050 0.000 1.068 238 E CA -1.529 54.900 56.400 0.048 0.000 0.882 238 E CB 0.904 30.636 29.700 0.052 0.000 1.039 238 E HN 0.411 nan 8.360 nan 0.000 0.418 239 P HA 0.014 nan 4.420 nan 0.000 0.267 239 P C -1.167 176.162 177.300 0.047 0.000 1.200 239 P CA 0.115 63.240 63.100 0.042 0.000 0.772 239 P CB 0.491 32.209 31.700 0.030 0.000 0.855 240 Q N 0.966 120.798 119.800 0.054 0.000 2.331 240 Q HA 0.427 4.766 4.340 -0.001 0.000 0.272 240 Q C -1.289 174.748 176.000 0.061 0.000 1.062 240 Q CA -0.680 55.157 55.803 0.057 0.000 0.806 240 Q CB 1.979 30.754 28.738 0.062 0.000 1.312 240 Q HN 0.271 nan 8.270 nan 0.000 0.431 241 E N 1.669 121.905 120.200 0.060 0.000 2.212 241 E HA 0.374 4.724 4.350 -0.001 0.000 0.268 241 E C -1.464 175.182 176.600 0.077 0.000 0.902 241 E CA -0.683 55.756 56.400 0.065 0.000 0.779 241 E CB 1.916 31.647 29.700 0.052 0.000 1.172 241 E HN 0.368 nan 8.360 nan 0.000 0.409 242 V N 4.236 124.206 119.914 0.095 0.000 2.529 242 V HA 0.072 4.191 4.120 -0.001 0.000 0.292 242 V C 1.246 177.396 176.094 0.092 0.000 1.028 242 V CA 1.224 63.593 62.300 0.116 0.000 1.074 242 V CB 0.765 32.677 31.823 0.148 0.000 0.958 242 V HN 0.982 nan 8.190 nan 0.000 0.481 243 T N 2.309 116.920 114.554 0.095 0.000 3.040 243 T HA 0.310 4.659 4.350 -0.001 0.000 0.250 243 T C 0.524 175.238 174.700 0.024 0.000 1.058 243 T CA -0.189 61.943 62.100 0.052 0.000 0.988 243 T CB 0.281 69.177 68.868 0.046 0.000 0.993 243 T HN 0.538 nan 8.240 nan 0.000 0.519 244 R N -0.743 119.803 120.500 0.076 0.000 2.634 244 R HA 0.512 4.851 4.340 -0.001 0.000 0.263 244 R C 0.065 176.463 176.300 0.163 0.000 1.060 244 R CA 0.476 56.570 56.100 -0.011 0.000 0.898 244 R CB 0.973 31.156 30.300 -0.196 0.000 1.253 244 R HN 0.437 nan 8.270 nan 0.000 0.461 245 G N 2.325 111.205 108.800 0.133 0.000 2.499 245 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.232 245 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.232 245 G C -0.664 174.385 174.900 0.249 0.000 1.251 245 G CA -0.101 45.197 45.100 0.330 0.000 0.917 245 G HN 0.547 nan 8.290 nan 0.000 0.580 246 M N 0.910 120.697 119.600 0.312 0.000 2.185 246 M HA 0.433 4.913 4.480 -0.001 0.000 0.357 246 M C 0.676 177.058 176.300 0.136 0.000 1.260 246 M CA -0.297 55.081 55.300 0.130 0.000 1.124 246 M CB 1.211 33.788 32.600 -0.038 0.000 1.600 246 M HN 0.433 nan 8.290 nan 0.000 0.467 247 R N 4.239 124.764 120.500 0.042 0.000 2.335 247 R HA 0.354 4.694 4.340 -0.001 0.000 0.302 247 R C -1.649 174.698 176.300 0.079 0.000 1.147 247 R CA -0.308 55.861 56.100 0.115 0.000 1.111 247 R CB 0.100 30.460 30.300 0.099 0.000 1.122 247 R HN 0.533 nan 8.270 nan 0.000 0.557 248 F N 1.936 121.944 119.950 0.097 0.000 2.459 248 F HA 0.142 4.669 4.527 -0.001 0.000 0.346 248 F C 0.829 176.780 175.800 0.252 0.000 1.128 248 F CA -0.003 58.076 58.000 0.131 0.000 1.268 248 F CB 0.995 39.942 39.000 -0.087 0.000 1.161 248 F HN 0.009 nan 8.300 nan 0.000 0.583 249 V N 2.951 123.166 119.914 0.502 0.000 2.384 249 V HA 0.452 4.572 4.120 -0.001 0.000 0.287 249 V C 0.540 176.737 176.094 0.172 0.000 1.020 249 V CA -0.962 61.518 62.300 0.299 0.000 0.850 249 V CB 1.063 33.036 31.823 0.251 0.000 0.987 249 V HN 0.920 nan 8.190 nan 0.000 0.436 250 G N 2.837 111.379 108.800 -0.429 0.000 2.544 250 G HA2 0.545 4.505 3.960 -0.001 0.000 0.242 250 G HA3 0.545 4.505 3.960 -0.001 0.000 0.242 250 G C 0.316 175.036 174.900 -0.300 0.000 1.247 250 G CA 0.562 45.011 45.100 -1.085 0.000 0.840 250 G HN 1.632 nan 8.290 nan 0.000 0.578 251 G N 0.021 108.717 108.800 -0.172 0.000 2.576 251 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.686 251 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.686 251 G C 0.449 175.418 174.900 0.114 0.000 1.242 251 G CA 0.431 45.514 45.100 -0.028 0.000 0.819 251 G HN 0.873 nan 8.290 nan 0.000 0.655 252 E N 0.124 120.348 120.200 0.040 0.000 2.097 252 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 252 E C 2.463 179.030 176.600 -0.055 0.000 1.000 252 E CA 2.191 58.593 56.400 0.004 0.000 0.804 252 E CB -0.172 29.534 29.700 0.011 0.000 0.740 252 E HN 0.501 nan 8.360 nan 0.000 0.454 253 S N 0.442 116.131 115.700 -0.018 0.000 2.359 253 S HA -0.191 4.279 4.470 -0.001 0.000 0.224 253 S C 2.075 176.577 174.600 -0.164 0.000 1.035 253 S CA 1.161 59.313 58.200 -0.079 0.000 1.018 253 S CB -0.361 62.811 63.200 -0.047 0.000 0.876 253 S HN 0.520 nan 8.310 nan 0.000 0.448 254 A N 1.481 124.226 122.820 -0.124 0.000 1.930 254 A HA 0.112 4.431 4.320 -0.001 0.000 0.217 254 A C 2.331 179.568 177.584 -0.578 0.000 1.175 254 A CA 1.680 53.623 52.037 -0.157 0.000 0.627 254 A CB -1.406 17.666 19.000 0.119 0.000 0.815 254 A HN 0.518 nan 8.150 nan 0.000 0.443 255 G N -0.020 108.237 108.800 -0.905 0.000 2.421 255 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.216 255 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.216 255 G C 1.633 176.112 174.900 -0.701 0.000 1.171 255 G CA 2.015 46.252 45.100 -1.439 0.000 0.775 255 G HN 1.023 nan 8.290 nan 0.000 0.543 256 V N -0.468 119.201 119.914 -0.409 0.000 2.626 256 V HA 0.114 4.234 4.120 -0.001 0.000 0.252 256 V C 2.682 178.688 176.094 -0.146 0.000 1.067 256 V CA 1.884 64.048 62.300 -0.227 0.000 1.081 256 V CB -1.124 30.541 31.823 -0.264 0.000 0.686 256 V HN 0.283 nan 8.190 nan 0.000 0.468 257 G N 0.589 109.263 108.800 -0.210 0.000 2.442 257 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.219 257 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.219 257 G C 1.697 176.591 174.900 -0.010 0.000 1.141 257 G CA 1.026 46.072 45.100 -0.089 0.000 0.763 257 G HN 0.554 nan 8.290 nan 0.000 0.554 258 R N 0.298 120.670 120.500 -0.213 0.000 2.090 258 R HA 0.075 4.414 4.340 -0.001 0.000 0.228 258 R C 2.538 178.879 176.300 0.068 0.000 1.110 258 R CA 1.259 57.299 56.100 -0.099 0.000 0.973 258 R CB -0.851 29.264 30.300 -0.309 0.000 0.869 258 R HN 0.205 nan 8.270 nan 0.000 0.440 259 V N 0.959 120.794 119.914 -0.131 0.000 2.287 259 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 259 V C 2.077 178.166 176.094 -0.008 0.000 1.053 259 V CA 2.082 64.206 62.300 -0.294 0.000 1.027 259 V CB -0.806 30.713 31.823 -0.507 0.000 0.646 259 V HN 0.331 nan 8.190 nan 0.000 0.447 260 F N 1.244 121.234 119.950 0.068 0.000 2.095 260 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 260 F C 2.515 178.475 175.800 0.266 0.000 1.104 260 F CA 2.445 60.608 58.000 0.272 0.000 1.232 260 F CB -0.367 38.711 39.000 0.130 0.000 0.987 260 F HN 0.253 nan 8.300 nan 0.000 0.475 261 E N -1.197 119.071 120.200 0.114 0.000 2.038 261 E HA -0.320 4.030 4.350 -0.001 0.000 0.195 261 E C 2.285 178.895 176.600 0.016 0.000 1.000 261 E CA 1.725 58.131 56.400 0.010 0.000 0.803 261 E CB -0.662 29.114 29.700 0.128 0.000 0.750 261 E HN 0.598 nan 8.360 nan 0.000 0.448 262 Y N -0.294 120.014 120.300 0.012 0.000 2.184 262 Y HA -0.167 4.382 4.550 -0.001 0.000 0.290 262 Y C 1.817 177.786 175.900 0.115 0.000 1.129 262 Y CA 1.540 59.670 58.100 0.049 0.000 1.144 262 Y CB -0.224 38.273 38.460 0.061 0.000 0.995 262 Y HN 0.084 nan 8.280 nan 0.000 0.513 263 F N -1.646 118.187 119.950 -0.196 0.000 2.074 263 F HA -0.115 4.412 4.527 -0.000 0.000 0.293 263 F C 1.812 177.298 175.800 -0.523 0.000 1.116 263 F CA 1.156 58.812 58.000 -0.573 0.000 1.212 263 F CB -1.468 37.099 39.000 -0.721 0.000 0.998 263 F HN 0.119 nan 8.300 nan 0.000 0.471 264 W N -0.099 121.207 121.300 0.010 0.000 2.726 264 W HA 0.141 4.800 4.660 -0.001 0.000 0.285 264 W C 2.493 178.831 176.519 -0.302 0.000 1.110 264 W CA 0.278 57.547 57.345 -0.127 0.000 1.579 264 W CB -0.795 28.540 29.460 -0.209 0.000 1.118 264 W HN -0.249 nan 8.180 nan 0.000 0.556 265 K N 1.172 121.334 120.400 -0.397 0.000 2.026 265 K HA -0.159 4.161 4.320 -0.001 0.000 0.208 265 K C 1.568 178.105 176.600 -0.105 0.000 1.048 265 K CA 1.574 57.696 56.287 -0.275 0.000 0.929 265 K CB -0.125 32.182 32.500 -0.322 0.000 0.713 265 K HN 0.020 nan 8.250 nan 0.000 0.439 266 K N -0.082 120.249 120.400 -0.115 0.000 2.379 266 K HA -0.035 4.285 4.320 -0.001 0.000 0.194 266 K C -0.102 176.431 176.600 -0.112 0.000 1.031 266 K CA 0.519 56.752 56.287 -0.090 0.000 1.037 266 K CB 0.345 32.795 32.500 -0.084 0.000 0.824 266 K HN 0.163 nan 8.250 nan 0.000 0.516 267 D N 0.657 120.987 120.400 -0.116 0.000 2.723 267 D HA -0.178 4.462 4.640 -0.001 0.000 0.236 267 D C 0.085 176.282 176.300 -0.172 0.000 1.138 267 D CA 0.423 54.379 54.000 -0.073 0.000 0.676 267 D CB -1.141 39.650 40.800 -0.014 0.000 1.069 267 D HN 0.214 nan 8.370 nan 0.000 0.430 268 L N -0.500 120.480 121.223 -0.405 0.000 2.554 268 L HA 0.097 4.437 4.340 -0.001 0.000 0.225 268 L C 2.283 178.810 176.870 -0.571 0.000 1.104 268 L CA -0.164 54.374 54.840 -0.503 0.000 0.866 268 L CB -0.126 41.523 42.059 -0.684 0.000 1.047 268 L HN 0.225 nan 8.230 nan 0.000 0.468 269 L N 1.334 122.110 121.223 -0.745 0.000 2.079 269 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 269 L C 2.570 179.244 176.870 -0.326 0.000 1.081 269 L CA 1.859 56.300 54.840 -0.666 0.000 0.752 269 L CB -0.544 40.657 42.059 -1.430 0.000 0.896 269 L HN 0.307 nan 8.230 nan 0.000 0.433 270 K N -0.693 119.586 120.400 -0.203 0.000 2.442 270 K HA -0.070 4.250 4.320 -0.001 0.000 0.198 270 K C 1.076 177.681 176.600 0.008 0.000 1.044 270 K CA 1.515 57.800 56.287 -0.004 0.000 0.948 270 K CB -0.484 32.069 32.500 0.088 0.000 0.762 270 K HN 0.407 nan 8.250 nan 0.000 0.472 271 V N -3.098 116.815 119.914 -0.002 0.000 3.253 271 V HA 0.126 4.246 4.120 -0.001 0.000 0.320 271 V C 1.616 177.749 176.094 0.064 0.000 1.442 271 V CA -0.693 61.619 62.300 0.020 0.000 1.097 271 V CB -0.897 30.926 31.823 -0.000 0.000 1.008 271 V HN 0.233 nan 8.190 nan 0.000 0.463 272 Y N 2.451 122.764 120.300 0.022 0.000 2.114 272 Y HA -0.230 4.319 4.550 -0.001 0.000 0.282 272 Y C 2.408 178.357 175.900 0.083 0.000 1.165 272 Y CA 2.676 60.845 58.100 0.115 0.000 1.148 272 Y CB -0.064 38.495 38.460 0.165 0.000 0.972 272 Y HN 0.346 nan 8.280 nan 0.000 0.504 273 K N 0.224 120.504 120.400 -0.201 0.000 2.147 273 K HA -0.198 4.122 4.320 -0.001 0.000 0.205 273 K C 1.811 178.192 176.600 -0.364 0.000 1.049 273 K CA 1.820 57.850 56.287 -0.428 0.000 0.936 273 K CB -0.133 32.166 32.500 -0.334 0.000 0.722 273 K HN 0.571 nan 8.250 nan 0.000 0.446 274 E N -0.690 119.389 120.200 -0.201 0.000 2.152 274 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 274 E C 1.646 178.186 176.600 -0.101 0.000 0.983 274 E CA 1.619 57.938 56.400 -0.135 0.000 0.818 274 E CB 0.138 29.794 29.700 -0.073 0.000 0.758 274 E HN 0.467 nan 8.360 nan 0.000 0.467 275 T N -1.121 113.380 114.554 -0.087 0.000 3.040 275 T HA 0.071 4.421 4.350 -0.001 0.000 0.250 275 T C 1.675 176.391 174.700 0.027 0.000 1.058 275 T CA -0.276 61.828 62.100 0.008 0.000 0.988 275 T CB -0.035 68.896 68.868 0.104 0.000 0.993 275 T HN 0.119 nan 8.240 nan 0.000 0.519 276 R N 1.573 121.985 120.500 -0.146 0.000 2.285 276 R HA 0.111 4.450 4.340 -0.001 0.000 0.213 276 R C 0.861 177.153 176.300 -0.012 0.000 1.068 276 R CA 1.367 57.409 56.100 -0.096 0.000 1.004 276 R CB -0.900 29.088 30.300 -0.520 0.000 0.873 276 R HN 0.389 nan 8.270 nan 0.000 0.467 277 N N 0.609 119.245 118.700 -0.107 0.000 2.314 277 N HA 0.096 4.835 4.740 -0.001 0.000 0.200 277 N C 0.314 175.648 175.510 -0.293 0.000 1.135 277 N CA 0.279 53.192 53.050 -0.227 0.000 0.835 277 N CB 0.948 39.271 38.487 -0.274 0.000 0.989 277 N HN 0.345 nan 8.380 nan 0.000 0.478 278 G N -0.176 108.421 108.800 -0.338 0.000 2.634 278 G HA2 0.249 4.209 3.960 -0.001 0.000 0.255 278 G HA3 0.249 4.209 3.960 -0.001 0.000 0.255 278 G C 0.480 174.700 174.900 -1.133 0.000 1.205 278 G CA -0.276 44.469 45.100 -0.591 0.000 0.884 278 G HN 0.137 nan 8.290 nan 0.000 0.549 279 M N -0.763 118.317 119.600 -0.867 0.000 2.251 279 M HA 0.265 4.744 4.480 -0.001 0.000 0.308 279 M C -0.205 175.939 176.300 -0.259 0.000 0.967 279 M CA -0.089 54.745 55.300 -0.777 0.000 1.103 279 M CB 0.754 32.725 32.600 -1.048 0.000 1.815 279 M HN 0.265 nan 8.290 nan 0.000 0.623 280 L N 1.476 122.667 121.223 -0.054 0.000 2.287 280 L HA 0.799 5.138 4.340 -0.001 0.000 0.287 280 L C 0.164 177.171 176.870 0.229 0.000 1.022 280 L CA 0.387 55.361 54.840 0.222 0.000 0.814 280 L CB 1.005 43.167 42.059 0.172 0.000 1.217 280 L HN 0.352 nan 8.230 nan 0.000 0.420 281 G N 4.952 113.870 108.800 0.197 0.000 2.707 281 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 281 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 281 G C -2.438 172.485 174.900 0.038 0.000 1.315 281 G CA -0.311 44.807 45.100 0.029 0.000 0.832 281 G HN 0.512 nan 8.290 nan 0.000 0.573 282 P HA 0.067 nan 4.420 nan 0.000 0.222 282 P C 0.901 178.084 177.300 -0.196 0.000 1.153 282 P CA 1.470 64.436 63.100 -0.222 0.000 0.798 282 P CB 0.141 31.715 31.700 -0.210 0.000 0.796 283 D N -0.299 120.062 120.400 -0.065 0.000 2.219 283 D HA -0.158 4.482 4.640 -0.001 0.000 0.205 283 D C 1.836 178.213 176.300 0.128 0.000 0.970 283 D CA 0.987 55.022 54.000 0.057 0.000 0.851 283 D CB -1.021 39.814 40.800 0.058 0.000 0.943 283 D HN 0.392 nan 8.370 nan 0.000 0.488 284 Y N 0.296 120.652 120.300 0.093 0.000 2.571 284 Y HA 0.114 4.663 4.550 -0.001 0.000 0.294 284 Y C 0.526 176.510 175.900 0.140 0.000 1.141 284 Y CA 0.390 58.548 58.100 0.097 0.000 1.308 284 Y CB -0.278 38.208 38.460 0.044 0.000 1.002 284 Y HN -0.080 nan 8.280 nan 0.000 0.551 285 S N -1.895 113.611 115.700 -0.323 0.000 2.643 285 S HA 0.265 4.734 4.470 -0.001 0.000 0.270 285 S C 0.730 174.836 174.600 -0.823 0.000 1.166 285 S CA -0.296 57.769 58.200 -0.224 0.000 0.815 285 S CB 0.962 64.109 63.200 -0.088 0.000 1.139 285 S HN 0.348 nan 8.310 nan 0.000 0.472 286 T N -1.310 112.625 114.554 -1.031 0.000 2.833 286 T HA -0.015 4.335 4.350 -0.001 0.000 0.269 286 T C 0.540 174.658 174.700 -0.970 0.000 1.054 286 T CA 1.344 62.408 62.100 -1.725 0.000 1.135 286 T CB -0.896 66.685 68.868 -2.145 0.000 0.869 286 T HN 0.835 nan 8.240 nan 0.000 0.466 287 K N 0.347 120.479 120.400 -0.446 0.000 3.069 287 K HA -0.158 4.161 4.320 -0.001 0.000 0.267 287 K C 0.304 177.149 176.600 0.409 0.000 1.082 287 K CA 0.691 56.973 56.287 -0.008 0.000 0.782 287 K CB -2.495 29.981 32.500 -0.039 0.000 1.230 287 K HN 0.479 nan 8.250 nan 0.000 0.488 288 F N 0.642 120.722 119.950 0.216 0.000 2.558 288 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 288 F C 2.572 178.581 175.800 0.349 0.000 1.119 288 F CA 0.929 59.134 58.000 0.342 0.000 1.451 288 F CB -0.807 38.284 39.000 0.153 0.000 1.091 288 F HN 0.227 nan 8.300 nan 0.000 0.563 289 S N 0.624 116.545 115.700 0.369 0.000 2.370 289 S HA -0.153 4.317 4.470 -0.001 0.000 0.226 289 S C -0.406 174.223 174.600 0.049 0.000 1.033 289 S CA 1.080 59.394 58.200 0.190 0.000 1.011 289 S CB -1.899 61.379 63.200 0.130 0.000 0.852 289 S HN 0.188 nan 8.310 nan 0.000 0.457 290 P HA -0.046 nan 4.420 nan 0.000 0.217 290 P C 1.258 178.512 177.300 -0.076 0.000 1.150 290 P CA 1.015 63.837 63.100 -0.464 0.000 0.832 290 P CB -0.256 30.668 31.700 -1.294 0.000 0.787 291 W N -0.811 120.653 121.300 0.273 0.000 2.436 291 W HA 0.054 4.713 4.660 -0.001 0.000 0.284 291 W C 1.973 178.614 176.519 0.202 0.000 1.225 291 W CA 0.635 58.166 57.345 0.310 0.000 1.271 291 W CB -1.076 28.525 29.460 0.234 0.000 1.114 291 W HN -0.012 nan 8.180 nan 0.000 0.559 292 L N 0.192 121.621 121.223 0.344 0.000 2.093 292 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 292 L C 2.730 179.658 176.870 0.097 0.000 1.085 292 L CA 1.341 56.295 54.840 0.192 0.000 0.755 292 L CB -1.039 41.122 42.059 0.169 0.000 0.904 292 L HN -0.185 nan 8.230 nan 0.000 0.435 293 A N -0.393 122.462 122.820 0.058 0.000 1.902 293 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 293 A C 1.875 179.363 177.584 -0.160 0.000 1.181 293 A CA 1.470 53.445 52.037 -0.103 0.000 0.623 293 A CB -0.682 18.201 19.000 -0.194 0.000 0.818 293 A HN 0.360 nan 8.150 nan 0.000 0.443 294 F N -0.529 119.460 119.950 0.064 0.000 2.797 294 F HA 0.312 4.839 4.527 -0.001 0.000 0.302 294 F C 1.825 177.675 175.800 0.084 0.000 1.130 294 F CA 0.657 58.717 58.000 0.099 0.000 1.387 294 F CB 0.046 39.155 39.000 0.182 0.000 1.107 294 F HN 0.370 nan 8.300 nan 0.000 0.577 295 G N -0.621 108.294 108.800 0.191 0.000 2.160 295 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.251 295 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.251 295 G C 1.021 176.011 174.900 0.151 0.000 1.008 295 G CA 0.360 45.525 45.100 0.109 0.000 0.724 295 G HN 0.439 nan 8.290 nan 0.000 0.514 296 C N -0.314 119.131 119.300 0.242 0.000 2.432 296 C HA 0.388 4.847 4.460 -0.001 0.000 0.280 296 C C 1.515 176.562 174.990 0.096 0.000 1.353 296 C CA 1.080 60.222 59.018 0.208 0.000 1.766 296 C CB -1.273 26.705 27.740 0.396 0.000 1.924 296 C HN 0.753 nan 8.230 nan 0.000 0.509 297 I N -1.675 118.962 120.570 0.110 0.000 3.042 297 I HA 0.689 4.859 4.170 -0.001 0.000 0.310 297 I C -0.504 175.641 176.117 0.047 0.000 1.117 297 I CA -0.373 60.933 61.300 0.009 0.000 1.003 297 I CB 2.151 40.142 38.000 -0.015 0.000 1.228 297 I HN 0.037 nan 8.210 nan 0.000 0.443 298 S N 1.624 117.360 115.700 0.060 0.000 2.542 298 S HA 0.636 5.105 4.470 -0.001 0.000 0.293 298 S C -2.258 172.412 174.600 0.117 0.000 1.089 298 S CA -1.352 56.887 58.200 0.064 0.000 0.961 298 S CB 2.024 65.244 63.200 0.033 0.000 1.062 298 S HN 0.613 nan 8.310 nan 0.000 0.483 299 P HA -0.078 nan 4.420 nan 0.000 0.218 299 P C 1.187 178.561 177.300 0.123 0.000 1.149 299 P CA 0.991 64.152 63.100 0.103 0.000 0.817 299 P CB 0.046 31.794 31.700 0.079 0.000 0.785 300 R N -1.418 119.155 120.500 0.121 0.000 2.092 300 R HA -0.104 4.235 4.340 -0.001 0.000 0.231 300 R C 2.342 178.759 176.300 0.195 0.000 1.119 300 R CA 1.144 57.338 56.100 0.158 0.000 0.970 300 R CB -0.979 29.402 30.300 0.135 0.000 0.864 300 R HN 0.197 nan 8.270 nan 0.000 0.440 301 F N 1.646 121.592 119.950 -0.007 0.000 2.134 301 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 301 F C 1.905 177.703 175.800 -0.003 0.000 1.097 301 F CA 1.263 59.196 58.000 -0.111 0.000 1.264 301 F CB -0.241 38.611 39.000 -0.248 0.000 1.001 301 F HN -0.148 nan 8.300 nan 0.000 0.479 302 I N -0.747 119.721 120.570 -0.171 0.000 2.226 302 I HA -0.319 3.850 4.170 -0.001 0.000 0.245 302 I C 2.312 178.455 176.117 0.044 0.000 1.100 302 I CA 1.660 62.847 61.300 -0.188 0.000 1.374 302 I CB -0.797 37.205 38.000 0.003 0.000 1.057 302 I HN 0.239 nan 8.210 nan 0.000 0.413 303 Y N 1.973 122.275 120.300 0.005 0.000 2.165 303 Y HA -0.262 4.287 4.550 -0.001 0.000 0.286 303 Y C 2.412 178.353 175.900 0.068 0.000 1.155 303 Y CA 1.664 59.791 58.100 0.045 0.000 1.164 303 Y CB -0.302 38.170 38.460 0.019 0.000 0.978 303 Y HN 0.192 nan 8.280 nan 0.000 0.513 304 E N -0.343 119.832 120.200 -0.040 0.000 2.106 304 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 304 E C 2.007 178.628 176.600 0.035 0.000 0.984 304 E CA 1.132 57.512 56.400 -0.034 0.000 0.806 304 E CB -0.049 29.775 29.700 0.207 0.000 0.750 304 E HN 0.562 nan 8.360 nan 0.000 0.458 305 E N 0.518 120.735 120.200 0.027 0.000 2.106 305 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 305 E C 2.346 179.127 176.600 0.301 0.000 0.984 305 E CA 0.586 57.136 56.400 0.249 0.000 0.806 305 E CB -0.160 29.619 29.700 0.132 0.000 0.750 305 E HN 0.118 nan 8.360 nan 0.000 0.458 306 V N 1.741 121.743 119.914 0.146 0.000 2.295 306 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 306 V C 2.473 178.541 176.094 -0.044 0.000 1.049 306 V CA 1.825 64.092 62.300 -0.056 0.000 1.024 306 V CB -0.550 31.248 31.823 -0.042 0.000 0.648 306 V HN 0.263 nan 8.190 nan 0.000 0.447 307 Q N -0.457 119.256 119.800 -0.145 0.000 2.061 307 Q HA -0.284 4.055 4.340 -0.001 0.000 0.204 307 Q C 2.484 178.506 176.000 0.036 0.000 0.984 307 Q CA 2.142 57.868 55.803 -0.127 0.000 0.846 307 Q CB -0.284 28.297 28.738 -0.262 0.000 0.902 307 Q HN 0.538 nan 8.270 nan 0.000 0.421 308 R N -0.350 120.236 120.500 0.143 0.000 2.075 308 R HA -0.192 4.147 4.340 -0.001 0.000 0.232 308 R C 2.133 178.658 176.300 0.376 0.000 1.126 308 R CA 1.247 57.508 56.100 0.268 0.000 0.963 308 R CB -0.303 30.214 30.300 0.362 0.000 0.858 308 R HN 0.292 nan 8.270 nan 0.000 0.435 309 Y N 1.473 121.869 120.300 0.159 0.000 2.165 309 Y HA -0.232 4.318 4.550 -0.001 0.000 0.286 309 Y C 1.843 177.677 175.900 -0.111 0.000 1.155 309 Y CA 2.161 60.136 58.100 -0.208 0.000 1.164 309 Y CB 0.067 38.135 38.460 -0.654 0.000 0.978 309 Y HN 0.197 nan 8.280 nan 0.000 0.513 310 E N -0.087 120.172 120.200 0.097 0.000 2.110 310 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 310 E C 2.144 178.744 176.600 0.000 0.000 0.988 310 E CA 1.204 57.632 56.400 0.046 0.000 0.804 310 E CB -0.118 29.619 29.700 0.062 0.000 0.745 310 E HN 0.429 nan 8.360 nan 0.000 0.458 311 K N 1.116 121.531 120.400 0.024 0.000 2.001 311 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 311 K C 1.808 178.407 176.600 -0.002 0.000 1.048 311 K CA 1.392 57.690 56.287 0.019 0.000 0.932 311 K CB 0.149 32.672 32.500 0.038 0.000 0.715 311 K HN 0.034 nan 8.250 nan 0.000 0.437 312 E N -0.704 119.504 120.200 0.014 0.000 2.230 312 E HA -0.049 4.300 4.350 -0.001 0.000 0.192 312 E C 1.867 178.413 176.600 -0.090 0.000 0.987 312 E CA 0.547 56.953 56.400 0.009 0.000 0.841 312 E CB 0.422 30.202 29.700 0.133 0.000 0.783 312 E HN 0.230 nan 8.360 nan 0.000 0.481 313 R N -0.372 119.977 120.500 -0.252 0.000 2.450 313 R HA 0.372 4.712 4.340 -0.001 0.000 0.149 313 R C -0.075 176.065 176.300 -0.268 0.000 1.895 313 R CA 0.032 55.907 56.100 -0.375 0.000 1.488 313 R CB 0.607 30.404 30.300 -0.838 0.000 1.316 313 R HN -0.048 nan 8.270 nan 0.000 0.474 314 V N 0.079 119.817 119.914 -0.294 0.000 3.120 314 V HA 0.705 4.825 4.120 -0.001 0.000 0.303 314 V C -1.966 174.140 176.094 0.020 0.000 1.238 314 V CA -0.725 61.524 62.300 -0.085 0.000 1.008 314 V CB 2.089 33.887 31.823 -0.041 0.000 1.064 314 V HN 0.454 nan 8.190 nan 0.000 0.434 315 A N 4.488 127.331 122.820 0.037 0.000 2.318 315 A HA 0.968 5.287 4.320 -0.001 0.000 0.317 315 A C -0.528 177.101 177.584 0.076 0.000 1.159 315 A CA -0.227 51.855 52.037 0.075 0.000 0.799 315 A CB 0.814 19.853 19.000 0.064 0.000 1.194 315 A HN 1.395 nan 8.150 nan 0.000 0.479 316 N N 0.928 119.691 118.700 0.105 0.000 3.439 316 N HA 0.181 4.921 4.740 -0.001 0.000 0.313 316 N C 0.275 175.880 175.510 0.159 0.000 1.598 316 N CA -0.215 52.895 53.050 0.100 0.000 0.830 316 N CB 0.005 38.535 38.487 0.072 0.000 1.849 316 N HN 0.287 nan 8.380 nan 0.000 0.598 317 N N -0.413 118.376 118.700 0.148 0.000 2.309 317 N HA -0.047 4.693 4.740 -0.001 0.000 0.182 317 N C 0.706 176.411 175.510 0.325 0.000 1.018 317 N CA 1.300 54.492 53.050 0.238 0.000 0.876 317 N CB -0.596 37.971 38.487 0.134 0.000 0.972 317 N HN 0.440 nan 8.380 nan 0.000 0.434 318 S N 0.284 116.114 115.700 0.217 0.000 2.371 318 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 318 S C 2.044 176.809 174.600 0.275 0.000 1.029 318 S CA 1.687 60.046 58.200 0.264 0.000 0.978 318 S CB -0.628 62.666 63.200 0.156 0.000 0.833 318 S HN 0.789 nan 8.310 nan 0.000 0.466 319 T N -0.560 114.089 114.554 0.158 0.000 2.867 319 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 319 T C 1.675 176.480 174.700 0.174 0.000 1.057 319 T CA 1.144 63.277 62.100 0.055 0.000 1.136 319 T CB -0.612 68.274 68.868 0.030 0.000 0.874 319 T HN 0.468 nan 8.240 nan 0.000 0.466 320 Y N 0.054 120.470 120.300 0.193 0.000 2.220 320 Y HA 0.071 4.621 4.550 0.000 0.000 0.291 320 Y C 2.343 178.440 175.900 0.329 0.000 1.129 320 Y CA 0.565 58.811 58.100 0.243 0.000 1.161 320 Y CB -0.519 38.089 38.460 0.247 0.000 0.997 320 Y HN 0.272 nan 8.280 nan 0.000 0.522 321 W N 0.054 121.399 121.300 0.075 0.000 2.374 321 W HA -0.184 4.476 4.660 -0.001 0.000 0.288 321 W C 2.272 178.915 176.519 0.208 0.000 1.218 321 W CA 1.737 59.142 57.345 0.099 0.000 1.245 321 W CB -0.408 29.201 29.460 0.247 0.000 1.126 321 W HN 0.067 nan 8.180 nan 0.000 0.545 322 V N 1.555 121.596 119.914 0.211 0.000 2.392 322 V HA -0.303 3.817 4.120 -0.001 0.000 0.249 322 V C 2.113 178.212 176.094 0.009 0.000 1.059 322 V CA 1.903 64.171 62.300 -0.055 0.000 1.051 322 V CB -0.447 31.260 31.823 -0.195 0.000 0.658 322 V HN 0.096 nan 8.190 nan 0.000 0.455 323 L N -1.396 119.802 121.223 -0.041 0.000 2.109 323 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 323 L C 2.368 179.168 176.870 -0.117 0.000 1.086 323 L CA 1.875 56.692 54.840 -0.038 0.000 0.760 323 L CB -0.783 41.276 42.059 -0.001 0.000 0.910 323 L HN 0.437 nan 8.230 nan 0.000 0.437 324 F N 1.481 121.094 119.950 -0.562 0.000 2.120 324 F HA -0.263 4.264 4.527 -0.001 0.000 0.300 324 F C 2.584 178.290 175.800 -0.157 0.000 1.095 324 F CA 1.709 59.380 58.000 -0.549 0.000 1.249 324 F CB 0.020 38.291 39.000 -1.214 0.000 0.995 324 F HN 0.042 nan 8.300 nan 0.000 0.480 325 E N 0.559 120.802 120.200 0.072 0.000 2.107 325 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 325 E C 2.405 179.112 176.600 0.179 0.000 0.982 325 E CA 1.159 57.680 56.400 0.203 0.000 0.809 325 E CB -0.626 29.245 29.700 0.284 0.000 0.756 325 E HN 0.487 nan 8.360 nan 0.000 0.459 326 L N 0.555 121.858 121.223 0.133 0.000 2.191 326 L HA -0.108 4.231 4.340 -0.001 0.000 0.212 326 L C 2.398 179.374 176.870 0.175 0.000 1.103 326 L CA 0.639 55.570 54.840 0.152 0.000 0.769 326 L CB -0.320 41.822 42.059 0.137 0.000 0.908 326 L HN 0.077 nan 8.230 nan 0.000 0.438 327 I N -1.855 118.801 120.570 0.143 0.000 2.439 327 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 327 I C 2.121 178.391 176.117 0.255 0.000 1.139 327 I CA 1.305 62.731 61.300 0.210 0.000 1.438 327 I CB -0.227 37.807 38.000 0.057 0.000 1.085 327 I HN 0.313 nan 8.210 nan 0.000 0.427 328 W N 1.166 122.495 121.300 0.048 0.000 2.363 328 W HA -0.160 4.500 4.660 -0.001 0.000 0.296 328 W C 2.857 179.399 176.519 0.038 0.000 1.212 328 W CA 1.105 58.383 57.345 -0.111 0.000 1.260 328 W CB -0.146 29.111 29.460 -0.338 0.000 1.131 328 W HN 0.018 nan 8.180 nan 0.000 0.530 329 R N 0.583 121.276 120.500 0.321 0.000 2.073 329 R HA -0.169 4.171 4.340 -0.001 0.000 0.234 329 R C 1.640 178.027 176.300 0.145 0.000 1.134 329 R CA 2.189 58.436 56.100 0.245 0.000 0.952 329 R CB -0.539 29.863 30.300 0.170 0.000 0.850 329 R HN 0.007 nan 8.270 nan 0.000 0.433 330 D N -0.362 120.126 120.400 0.147 0.000 2.104 330 D HA -0.220 4.420 4.640 -0.001 0.000 0.194 330 D C 1.565 177.818 176.300 -0.079 0.000 0.994 330 D CA 1.341 55.371 54.000 0.050 0.000 0.830 330 D CB -0.498 40.546 40.800 0.405 0.000 0.959 330 D HN 0.261 nan 8.370 nan 0.000 0.452 331 Y N 0.343 120.547 120.300 -0.160 0.000 2.097 331 Y HA -0.262 4.287 4.550 -0.000 0.000 0.282 331 Y C 2.058 177.763 175.900 -0.325 0.000 1.152 331 Y CA 1.475 59.241 58.100 -0.556 0.000 1.136 331 Y CB -0.624 37.445 38.460 -0.652 0.000 0.975 331 Y HN -0.101 nan 8.280 nan 0.000 0.498 332 F N 0.028 119.915 119.950 -0.105 0.000 2.234 332 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 332 F C 2.577 178.270 175.800 -0.179 0.000 1.087 332 F CA 1.606 59.513 58.000 -0.155 0.000 1.340 332 F CB -0.852 38.149 39.000 0.002 0.000 1.031 332 F HN -0.001 nan 8.300 nan 0.000 0.500 333 R N 0.311 120.795 120.500 -0.027 0.000 2.080 333 R HA -0.180 4.159 4.340 -0.001 0.000 0.236 333 R C 1.955 178.202 176.300 -0.089 0.000 1.137 333 R CA 1.930 57.958 56.100 -0.120 0.000 0.943 333 R CB -1.190 28.953 30.300 -0.261 0.000 0.846 333 R HN 0.156 nan 8.270 nan 0.000 0.431 334 F N 0.122 120.069 119.950 -0.004 0.000 2.186 334 F HA -0.013 4.514 4.527 -0.001 0.000 0.299 334 F C 2.000 177.705 175.800 -0.159 0.000 1.090 334 F CA 0.712 58.677 58.000 -0.058 0.000 1.307 334 F CB -0.875 38.050 39.000 -0.125 0.000 1.019 334 F HN 0.076 nan 8.300 nan 0.000 0.489 335 L N 0.271 121.395 121.223 -0.166 0.000 2.131 335 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 335 L C 2.638 179.459 176.870 -0.082 0.000 1.092 335 L CA 1.820 56.520 54.840 -0.233 0.000 0.759 335 L CB -1.018 40.783 42.059 -0.429 0.000 0.903 335 L HN 0.221 nan 8.230 nan 0.000 0.435 336 S N -0.974 114.710 115.700 -0.027 0.000 2.399 336 S HA -0.193 4.277 4.470 -0.001 0.000 0.231 336 S C 1.994 176.605 174.600 0.019 0.000 1.022 336 S CA 1.534 59.720 58.200 -0.023 0.000 0.983 336 S CB -0.848 62.359 63.200 0.011 0.000 0.803 336 S HN 0.515 nan 8.310 nan 0.000 0.480 337 I N 1.460 122.084 120.570 0.090 0.000 2.233 337 I HA -0.075 4.095 4.170 -0.001 0.000 0.243 337 I C 2.799 178.982 176.117 0.110 0.000 1.093 337 I CA 1.394 62.784 61.300 0.151 0.000 1.380 337 I CB -0.341 37.798 38.000 0.232 0.000 1.067 337 I HN 0.306 nan 8.210 nan 0.000 0.413 338 K N 0.670 121.099 120.400 0.049 0.000 2.057 338 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 338 K C 2.180 178.697 176.600 -0.137 0.000 1.049 338 K CA 1.854 58.105 56.287 -0.061 0.000 0.931 338 K CB -0.079 32.373 32.500 -0.080 0.000 0.714 338 K HN 0.360 nan 8.250 nan 0.000 0.440 339 C N 0.059 119.297 119.300 -0.103 0.000 2.485 339 C HA 0.230 4.690 4.460 -0.001 0.000 0.277 339 C C 1.587 176.503 174.990 -0.122 0.000 1.376 339 C CA 0.165 59.111 59.018 -0.120 0.000 1.759 339 C CB -0.973 26.692 27.740 -0.126 0.000 1.970 339 C HN 0.862 nan 8.230 nan 0.000 0.509 340 G N 1.697 110.440 108.800 -0.094 0.000 2.614 340 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.303 340 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.303 340 G C 0.619 175.425 174.900 -0.157 0.000 1.270 340 G CA 0.800 45.861 45.100 -0.064 0.000 0.988 340 G HN 0.383 nan 8.290 nan 0.000 0.551 341 N N 1.504 120.141 118.700 -0.105 0.000 2.512 341 N HA -0.029 4.710 4.740 -0.001 0.000 0.183 341 N C 2.519 177.690 175.510 -0.565 0.000 1.073 341 N CA 1.615 54.558 53.050 -0.178 0.000 0.911 341 N CB -0.264 38.192 38.487 -0.052 0.000 0.964 341 N HN 0.806 nan 8.380 nan 0.000 0.447 342 S N 0.446 115.929 115.700 -0.362 0.000 2.442 342 S HA -0.097 4.372 4.470 -0.001 0.000 0.236 342 S C 1.860 176.329 174.600 -0.218 0.000 1.007 342 S CA 0.343 58.407 58.200 -0.227 0.000 0.965 342 S CB -0.419 62.767 63.200 -0.023 0.000 0.773 342 S HN 0.188 nan 8.310 nan 0.000 0.504 343 L N 0.329 121.311 121.223 -0.402 0.000 2.187 343 L HA 0.128 4.467 4.340 -0.001 0.000 0.213 343 L C 1.268 177.913 176.870 -0.375 0.000 1.100 343 L CA 1.590 56.141 54.840 -0.481 0.000 0.765 343 L CB -0.755 40.807 42.059 -0.828 0.000 0.904 343 L HN 0.368 nan 8.230 nan 0.000 0.437 344 F N -2.609 117.306 119.950 -0.059 0.000 2.704 344 F HA 0.247 4.774 4.527 -0.000 0.000 0.304 344 F C 1.088 176.969 175.800 0.135 0.000 1.094 344 F CA -0.739 57.248 58.000 -0.022 0.000 1.275 344 F CB -0.671 38.154 39.000 -0.292 0.000 1.073 344 F HN 0.030 nan 8.300 nan 0.000 0.586 345 H N 0.013 119.248 119.070 0.276 0.000 2.551 345 H HA 0.134 4.690 4.556 -0.001 0.000 0.358 345 H C 1.121 176.569 175.328 0.200 0.000 1.151 345 H CA -0.802 55.341 56.048 0.158 0.000 1.374 345 H CB 1.694 31.535 29.762 0.131 0.000 1.473 345 H HN -0.061 nan 8.280 nan 0.000 0.574 346 L N 2.256 123.567 121.223 0.147 0.000 2.013 346 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 346 L C 2.270 179.382 176.870 0.403 0.000 1.073 346 L CA 2.254 57.181 54.840 0.144 0.000 0.753 346 L CB -0.940 41.118 42.059 -0.001 0.000 0.890 346 L HN 0.854 nan 8.230 nan 0.000 0.432 347 G N -1.683 107.292 108.800 0.291 0.000 2.598 347 G HA2 0.313 4.272 3.960 -0.001 0.000 0.215 347 G HA3 0.313 4.272 3.960 -0.001 0.000 0.215 347 G C 0.927 175.960 174.900 0.222 0.000 1.131 347 G CA 0.549 45.800 45.100 0.253 0.000 0.785 347 G HN 0.930 nan 8.290 nan 0.000 0.539 348 G N -0.107 108.858 108.800 0.274 0.000 2.752 348 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.234 348 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.234 348 G C -0.997 173.964 174.900 0.102 0.000 1.367 348 G CA -0.129 45.069 45.100 0.164 0.000 0.879 348 G HN 0.097 nan 8.290 nan 0.000 0.563 349 P HA -0.138 nan 4.420 nan 0.000 0.218 349 P C 1.684 179.002 177.300 0.031 0.000 1.152 349 P CA 2.351 65.461 63.100 0.017 0.000 0.857 349 P CB -0.115 31.586 31.700 0.002 0.000 0.787 350 R N -1.895 118.629 120.500 0.041 0.000 2.427 350 R HA 0.185 4.524 4.340 -0.001 0.000 0.262 350 R C 0.217 176.552 176.300 0.059 0.000 0.943 350 R CA -0.142 55.982 56.100 0.041 0.000 1.081 350 R CB -0.964 29.356 30.300 0.033 0.000 1.166 350 R HN -0.121 nan 8.270 nan 0.000 0.534 351 N N 0.656 119.407 118.700 0.084 0.000 2.696 351 N HA -0.149 4.591 4.740 -0.001 0.000 0.256 351 N C -0.970 174.598 175.510 0.096 0.000 1.031 351 N CA 0.651 53.761 53.050 0.099 0.000 0.730 351 N CB -1.081 37.453 38.487 0.077 0.000 0.894 351 N HN 0.242 nan 8.380 nan 0.000 0.544 352 V N 1.410 121.396 119.914 0.119 0.000 2.715 352 V HA 0.100 4.219 4.120 -0.001 0.000 0.299 352 V C 1.014 177.199 176.094 0.150 0.000 1.054 352 V CA -0.012 62.364 62.300 0.127 0.000 1.077 352 V CB 1.322 33.237 31.823 0.153 0.000 0.972 352 V HN 0.302 nan 8.190 nan 0.000 0.484 353 Q N 2.033 121.898 119.800 0.108 0.000 2.212 353 Q HA 0.633 4.973 4.340 -0.001 0.000 0.238 353 Q C 0.432 176.470 176.000 0.063 0.000 0.955 353 Q CA 0.265 56.117 55.803 0.081 0.000 0.906 353 Q CB 1.633 30.392 28.738 0.036 0.000 1.215 353 Q HN 1.216 nan 8.270 nan 0.000 0.478 354 G N 1.678 110.485 108.800 0.011 0.000 3.190 354 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.686 354 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.686 354 G C -0.326 174.369 174.900 -0.343 0.000 1.033 354 G CA 0.123 45.150 45.100 -0.121 0.000 0.797 354 G HN 0.960 nan 8.290 nan 0.000 0.567 355 K N 0.762 120.962 120.400 -0.333 0.000 2.701 355 K HA -0.114 4.205 4.320 -0.001 0.000 0.829 355 K C -0.045 176.344 176.600 -0.352 0.000 2.061 355 K CA 0.367 56.349 56.287 -0.508 0.000 1.347 355 K CB -1.103 30.897 32.500 -0.834 0.000 2.525 355 K HN 2.346 nan 8.250 nan 0.000 0.243 356 W N -1.588 119.711 121.300 -0.001 0.000 3.078 356 W HA -0.072 4.587 4.660 -0.001 0.000 0.466 356 W C -0.187 176.316 176.519 -0.027 0.000 1.850 356 W CA 0.215 57.555 57.345 -0.009 0.000 0.459 356 W CB -1.360 28.099 29.460 -0.001 0.000 2.859 356 W HN 0.799 nan 8.180 nan 0.000 0.416 357 S N 1.919 117.758 115.700 0.232 0.000 2.584 357 S HA 0.425 4.894 4.470 -0.001 0.000 0.273 357 S C 0.474 175.109 174.600 0.059 0.000 1.311 357 S CA -0.117 58.147 58.200 0.107 0.000 1.034 357 S CB 1.108 64.353 63.200 0.075 0.000 0.939 357 S HN 0.449 nan 8.310 nan 0.000 0.513 358 Q N 1.725 121.542 119.800 0.029 0.000 2.155 358 Q HA 0.181 4.521 4.340 -0.001 0.000 0.273 358 Q C -0.897 175.097 176.000 -0.011 0.000 0.857 358 Q CA -0.320 55.467 55.803 -0.027 0.000 1.116 358 Q CB 0.466 29.230 28.738 0.044 0.000 1.209 358 Q HN 0.686 nan 8.270 nan 0.000 0.460 359 D N 1.239 121.649 120.400 0.017 0.000 2.412 359 D HA -0.090 4.549 4.640 -0.001 0.000 0.257 359 D C 0.813 177.156 176.300 0.071 0.000 1.217 359 D CA 0.467 54.492 54.000 0.042 0.000 0.897 359 D CB 1.261 42.089 40.800 0.046 0.000 1.132 359 D HN 0.163 nan 8.370 nan 0.000 0.493 360 Q N 4.524 124.372 119.800 0.079 0.000 2.079 360 Q HA -0.162 4.178 4.340 -0.001 0.000 0.200 360 Q C 1.866 177.951 176.000 0.142 0.000 0.974 360 Q CA 1.562 57.442 55.803 0.129 0.000 0.840 360 Q CB 0.048 28.850 28.738 0.107 0.000 0.898 360 Q HN 0.521 nan 8.270 nan 0.000 0.430 361 K N -0.540 119.914 120.400 0.089 0.000 2.026 361 K HA -0.097 4.222 4.320 -0.001 0.000 0.208 361 K C 2.026 178.668 176.600 0.069 0.000 1.048 361 K CA 1.169 57.493 56.287 0.063 0.000 0.929 361 K CB -0.196 32.332 32.500 0.046 0.000 0.713 361 K HN 0.257 nan 8.250 nan 0.000 0.439 362 L N 0.187 121.462 121.223 0.087 0.000 2.012 362 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 362 L C 2.414 179.361 176.870 0.129 0.000 1.073 362 L CA 1.417 56.318 54.840 0.101 0.000 0.748 362 L CB -0.498 41.612 42.059 0.087 0.000 0.891 362 L HN 0.244 nan 8.230 nan 0.000 0.431 363 F N 1.149 121.095 119.950 -0.008 0.000 2.095 363 F HA -0.256 4.270 4.527 -0.001 0.000 0.298 363 F C 2.394 178.201 175.800 0.012 0.000 1.104 363 F CA 1.856 59.840 58.000 -0.027 0.000 1.232 363 F CB -0.297 38.637 39.000 -0.110 0.000 0.987 363 F HN 0.076 nan 8.300 nan 0.000 0.475 364 E N -0.074 120.007 120.200 -0.198 0.000 2.118 364 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 364 E C 2.383 178.828 176.600 -0.259 0.000 0.992 364 E CA 1.558 57.760 56.400 -0.330 0.000 0.804 364 E CB -0.331 29.301 29.700 -0.114 0.000 0.741 364 E HN 0.571 nan 8.360 nan 0.000 0.458 365 S N 0.047 115.690 115.700 -0.096 0.000 2.399 365 S HA -0.202 4.268 4.470 -0.001 0.000 0.231 365 S C 1.716 176.320 174.600 0.006 0.000 1.022 365 S CA 0.769 58.953 58.200 -0.027 0.000 0.983 365 S CB -0.516 62.719 63.200 0.058 0.000 0.803 365 S HN 0.514 nan 8.310 nan 0.000 0.480 366 W N 2.692 123.881 121.300 -0.185 0.000 2.413 366 W HA 0.096 4.756 4.660 -0.001 0.000 0.315 366 W C 2.740 179.071 176.519 -0.314 0.000 1.186 366 W CA 1.380 58.638 57.345 -0.144 0.000 1.326 366 W CB -0.435 28.986 29.460 -0.064 0.000 1.153 366 W HN 0.197 nan 8.180 nan 0.000 0.489 367 R N 0.243 120.442 120.500 -0.502 0.000 2.096 367 R HA -0.192 4.148 4.340 -0.001 0.000 0.240 367 R C 0.958 176.924 176.300 -0.557 0.000 1.139 367 R CA 2.201 57.757 56.100 -0.907 0.000 0.952 367 R CB -0.766 28.628 30.300 -1.511 0.000 0.854 367 R HN 0.094 nan 8.270 nan 0.000 0.436 368 D N -0.410 119.751 120.400 -0.399 0.000 2.319 368 D HA 0.134 4.773 4.640 -0.001 0.000 0.230 368 D C 0.191 176.389 176.300 -0.170 0.000 1.094 368 D CA 0.827 54.683 54.000 -0.240 0.000 0.856 368 D CB 0.691 41.375 40.800 -0.193 0.000 0.915 368 D HN 0.372 nan 8.370 nan 0.000 0.517 369 A N 1.029 123.731 122.820 -0.196 0.000 2.791 369 A HA -0.275 4.045 4.320 -0.001 0.000 0.292 369 A C 0.649 178.189 177.584 -0.073 0.000 1.487 369 A CA 0.805 52.762 52.037 -0.133 0.000 0.760 369 A CB -2.168 16.768 19.000 -0.106 0.000 1.031 369 A HN 0.345 nan 8.150 nan 0.000 0.503 370 K N -0.519 119.837 120.400 -0.072 0.000 3.084 370 K HA 0.180 4.499 4.320 -0.001 0.000 0.210 370 K C 1.343 177.930 176.600 -0.021 0.000 1.137 370 K CA 0.464 56.704 56.287 -0.079 0.000 1.010 370 K CB 0.282 32.724 32.500 -0.095 0.000 0.806 370 K HN 0.733 nan 8.250 nan 0.000 0.460 371 T N -2.965 111.619 114.554 0.050 0.000 3.043 371 T HA 0.067 4.416 4.350 -0.001 0.000 0.263 371 T C 1.561 176.298 174.700 0.061 0.000 1.094 371 T CA 0.993 63.191 62.100 0.164 0.000 1.127 371 T CB 0.086 69.126 68.868 0.286 0.000 0.905 371 T HN 0.416 nan 8.240 nan 0.000 0.490 372 G N 0.349 109.149 108.800 0.000 0.000 2.175 372 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.244 372 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.244 372 G C -0.237 174.595 174.900 -0.113 0.000 0.982 372 G CA -0.018 45.037 45.100 -0.075 0.000 0.641 372 G HN 0.615 nan 8.290 nan 0.000 0.527 373 Y N 0.282 120.695 120.300 0.189 0.000 2.417 373 Y HA 0.474 5.023 4.550 -0.001 0.000 0.336 373 Y C -1.100 174.811 175.900 0.018 0.000 0.961 373 Y CA -2.184 55.956 58.100 0.066 0.000 1.215 373 Y CB 1.744 40.164 38.460 -0.067 0.000 1.120 373 Y HN -0.054 nan 8.280 nan 0.000 0.499 374 P HA -0.261 nan 4.420 nan 0.000 0.216 374 P C 1.809 179.132 177.300 0.039 0.000 1.154 374 P CA 1.215 64.248 63.100 -0.112 0.000 0.865 374 P CB 0.372 31.932 31.700 -0.233 0.000 0.789 375 L N -1.104 120.176 121.223 0.095 0.000 2.042 375 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 375 L C 2.070 178.972 176.870 0.054 0.000 1.076 375 L CA 1.978 56.890 54.840 0.121 0.000 0.749 375 L CB -1.173 40.940 42.059 0.091 0.000 0.893 375 L HN -0.132 nan 8.230 nan 0.000 0.432 376 I N -0.329 120.216 120.570 -0.043 0.000 2.163 376 I HA -0.221 3.949 4.170 -0.001 0.000 0.240 376 I C 2.189 178.237 176.117 -0.114 0.000 1.081 376 I CA 1.247 62.453 61.300 -0.156 0.000 1.353 376 I CB -1.561 36.192 38.000 -0.411 0.000 1.054 376 I HN 0.281 nan 8.210 nan 0.000 0.407 377 D N 1.222 121.598 120.400 -0.040 0.000 2.144 377 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 377 D C 2.266 178.534 176.300 -0.054 0.000 0.984 377 D CA 1.518 55.503 54.000 -0.025 0.000 0.834 377 D CB -0.092 40.786 40.800 0.130 0.000 0.955 377 D HN 0.296 nan 8.370 nan 0.000 0.465 378 A N 1.262 124.074 122.820 -0.014 0.000 1.877 378 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 378 A C 2.054 179.500 177.584 -0.231 0.000 1.186 378 A CA 1.338 53.324 52.037 -0.085 0.000 0.620 378 A CB -0.511 18.453 19.000 -0.060 0.000 0.822 378 A HN 0.148 nan 8.150 nan 0.000 0.443 379 N N -0.563 118.119 118.700 -0.031 0.000 2.084 379 N HA -0.128 4.612 4.740 -0.001 0.000 0.190 379 N C 1.687 177.047 175.510 -0.251 0.000 1.030 379 N CA 1.706 54.706 53.050 -0.082 0.000 0.849 379 N CB -0.297 38.163 38.487 -0.045 0.000 1.012 379 N HN 0.332 nan 8.380 nan 0.000 0.423 380 M N 1.121 120.558 119.600 -0.272 0.000 2.229 380 M HA -0.063 4.416 4.480 -0.001 0.000 0.264 380 M C 2.045 178.179 176.300 -0.277 0.000 1.063 380 M CA 1.007 56.110 55.300 -0.328 0.000 1.114 380 M CB -0.874 31.455 32.600 -0.453 0.000 1.387 380 M HN 0.098 nan 8.290 nan 0.000 0.420 381 K N 0.507 120.730 120.400 -0.295 0.000 2.057 381 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 381 K C 1.979 178.251 176.600 -0.546 0.000 1.050 381 K CA 1.408 57.519 56.287 -0.293 0.000 0.935 381 K CB -0.020 32.375 32.500 -0.175 0.000 0.715 381 K HN 0.339 nan 8.250 nan 0.000 0.439 382 E N 0.529 120.141 120.200 -0.980 0.000 2.058 382 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 382 E C 2.062 178.401 176.600 -0.434 0.000 0.997 382 E CA 1.258 56.959 56.400 -1.164 0.000 0.801 382 E CB -0.093 29.045 29.700 -0.937 0.000 0.746 382 E HN 0.247 nan 8.360 nan 0.000 0.450 383 L N 1.032 122.049 121.223 -0.343 0.000 1.989 383 L HA -0.199 4.141 4.340 -0.001 0.000 0.211 383 L C 2.509 179.263 176.870 -0.194 0.000 1.071 383 L CA 2.642 57.319 54.840 -0.272 0.000 0.749 383 L CB -0.810 41.052 42.059 -0.327 0.000 0.890 383 L HN 0.250 nan 8.230 nan 0.000 0.431 384 S N -3.009 112.612 115.700 -0.131 0.000 2.428 384 S HA -0.120 4.349 4.470 -0.001 0.000 0.230 384 S C 1.733 176.322 174.600 -0.017 0.000 1.014 384 S CA 1.251 59.426 58.200 -0.041 0.000 0.957 384 S CB -0.968 62.274 63.200 0.070 0.000 0.784 384 S HN 0.544 nan 8.310 nan 0.000 0.499 385 T N 1.908 116.449 114.554 -0.021 0.000 2.937 385 T HA 0.026 4.375 4.350 -0.001 0.000 0.260 385 T C 2.039 176.816 174.700 0.129 0.000 1.051 385 T CA 1.640 63.791 62.100 0.086 0.000 1.141 385 T CB -0.341 68.648 68.868 0.203 0.000 0.879 385 T HN 0.818 nan 8.240 nan 0.000 0.459 386 T N -2.231 112.391 114.554 0.113 0.000 2.958 386 T HA 0.448 4.798 4.350 -0.001 0.000 0.256 386 T C 1.736 176.507 174.700 0.119 0.000 0.983 386 T CA 0.781 62.996 62.100 0.193 0.000 0.924 386 T CB 0.253 69.322 68.868 0.335 0.000 1.136 386 T HN 0.457 nan 8.240 nan 0.000 0.506 387 G N 1.172 109.972 108.800 -0.001 0.000 2.143 387 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.248 387 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.248 387 G C -0.203 174.634 174.900 -0.105 0.000 0.991 387 G CA 0.331 45.369 45.100 -0.103 0.000 0.689 387 G HN 0.747 nan 8.290 nan 0.000 0.522 388 F N -0.346 119.492 119.950 -0.187 0.000 2.599 388 F HA 0.841 5.367 4.527 -0.001 0.000 0.311 388 F C -0.392 175.324 175.800 -0.139 0.000 1.076 388 F CA -1.275 56.615 58.000 -0.183 0.000 0.937 388 F CB 1.850 40.824 39.000 -0.043 0.000 1.282 388 F HN 0.116 nan 8.300 nan 0.000 0.460 389 M N 4.048 123.170 119.600 -0.797 0.000 2.421 389 M HA 0.377 4.857 4.480 -0.001 0.000 0.287 389 M C -0.989 174.943 176.300 -0.613 0.000 1.183 389 M CA -0.673 54.340 55.300 -0.479 0.000 0.916 389 M CB 2.169 34.495 32.600 -0.457 0.000 1.701 389 M HN 0.754 nan 8.290 nan 0.000 0.470 390 S N 2.452 118.062 115.700 -0.149 0.000 2.568 390 S HA 0.039 4.509 4.470 -0.001 0.000 0.282 390 S C 0.792 175.288 174.600 -0.172 0.000 1.338 390 S CA 0.015 58.205 58.200 -0.016 0.000 1.045 390 S CB 0.638 63.788 63.200 -0.084 0.000 0.873 390 S HN 0.961 nan 8.310 nan 0.000 0.516 391 N N 1.603 120.249 118.700 -0.089 0.000 2.061 391 N HA -0.255 4.484 4.740 -0.001 0.000 0.193 391 N C 1.902 177.292 175.510 -0.201 0.000 1.030 391 N CA 1.523 54.492 53.050 -0.135 0.000 0.856 391 N CB -0.239 38.217 38.487 -0.053 0.000 1.023 391 N HN 0.677 nan 8.380 nan 0.000 0.424 392 R N 0.630 120.991 120.500 -0.232 0.000 2.083 392 R HA -0.046 4.293 4.340 -0.001 0.000 0.237 392 R C 2.274 178.386 176.300 -0.313 0.000 1.137 392 R CA 2.037 57.946 56.100 -0.318 0.000 0.951 392 R CB -1.381 28.656 30.300 -0.437 0.000 0.851 392 R HN 0.348 nan 8.270 nan 0.000 0.434 393 G N 0.226 108.854 108.800 -0.287 0.000 2.446 393 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 393 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 393 G C 1.467 176.253 174.900 -0.189 0.000 1.168 393 G CA 0.913 45.871 45.100 -0.237 0.000 0.771 393 G HN 0.366 nan 8.290 nan 0.000 0.551 394 R N 0.016 120.411 120.500 -0.174 0.000 2.091 394 R HA -0.091 4.249 4.340 -0.001 0.000 0.238 394 R C 2.851 178.974 176.300 -0.294 0.000 1.136 394 R CA 1.623 57.678 56.100 -0.077 0.000 0.959 394 R CB -0.381 29.891 30.300 -0.047 0.000 0.856 394 R HN 0.474 nan 8.270 nan 0.000 0.437 395 Q N 0.338 119.891 119.800 -0.412 0.000 2.084 395 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 395 Q C 2.200 177.654 176.000 -0.910 0.000 0.978 395 Q CA 1.381 56.792 55.803 -0.654 0.000 0.844 395 Q CB -0.134 28.219 28.738 -0.642 0.000 0.898 395 Q HN 0.385 nan 8.270 nan 0.000 0.426 396 I N 0.437 120.567 120.570 -0.733 0.000 2.202 396 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 396 I C 2.415 178.394 176.117 -0.231 0.000 1.091 396 I CA 1.105 62.069 61.300 -0.560 0.000 1.368 396 I CB -0.468 37.354 38.000 -0.296 0.000 1.058 396 I HN 0.154 nan 8.210 nan 0.000 0.410 397 V N -1.599 118.270 119.914 -0.074 0.000 2.626 397 V HA -0.246 3.874 4.120 -0.001 0.000 0.252 397 V C 2.474 178.756 176.094 0.313 0.000 1.067 397 V CA 1.554 64.010 62.300 0.259 0.000 1.081 397 V CB -1.145 30.891 31.823 0.355 0.000 0.686 397 V HN 0.661 nan 8.190 nan 0.000 0.468 398 C N 0.679 119.895 119.300 -0.140 0.000 2.436 398 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 398 C C 3.183 178.078 174.990 -0.159 0.000 1.241 398 C CA 1.871 60.632 59.018 -0.429 0.000 1.721 398 C CB -0.818 26.304 27.740 -1.030 0.000 2.043 398 C HN 0.747 nan 8.230 nan 0.000 0.472 399 S N -0.771 114.803 115.700 -0.209 0.000 2.374 399 S HA -0.232 4.237 4.470 -0.001 0.000 0.227 399 S C 1.738 176.341 174.600 0.005 0.000 1.037 399 S CA 2.020 60.165 58.200 -0.091 0.000 1.024 399 S CB -0.811 62.313 63.200 -0.128 0.000 0.861 399 S HN 0.703 nan 8.310 nan 0.000 0.456 400 F N 1.706 121.611 119.950 -0.076 0.000 2.102 400 F HA -0.027 4.500 4.527 -0.001 0.000 0.298 400 F C 2.014 177.833 175.800 0.031 0.000 1.105 400 F CA 1.836 59.839 58.000 0.004 0.000 1.239 400 F CB -0.502 38.544 39.000 0.076 0.000 0.991 400 F HN 0.306 nan 8.300 nan 0.000 0.474 401 L N -0.680 120.590 121.223 0.078 0.000 2.056 401 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 401 L C 2.057 178.835 176.870 -0.153 0.000 1.078 401 L CA 1.288 56.002 54.840 -0.209 0.000 0.749 401 L CB -0.438 41.280 42.059 -0.569 0.000 0.901 401 L HN 0.043 nan 8.230 nan 0.000 0.433 402 V N -0.027 119.855 119.914 -0.054 0.000 2.323 402 V HA -0.177 3.942 4.120 -0.001 0.000 0.244 402 V C 2.579 178.717 176.094 0.074 0.000 1.041 402 V CA 2.111 64.391 62.300 -0.034 0.000 1.025 402 V CB -0.516 31.287 31.823 -0.034 0.000 0.656 402 V HN 0.435 nan 8.190 nan 0.000 0.451 403 R N -0.588 119.960 120.500 0.080 0.000 2.103 403 R HA 0.041 4.380 4.340 -0.001 0.000 0.212 403 R C 2.038 178.395 176.300 0.094 0.000 1.107 403 R CA 1.017 57.227 56.100 0.184 0.000 1.025 403 R CB -0.219 30.288 30.300 0.344 0.000 0.929 403 R HN 0.477 nan 8.270 nan 0.000 0.456 404 D N 0.583 120.941 120.400 -0.069 0.000 2.137 404 D HA -0.062 4.578 4.640 -0.001 0.000 0.202 404 D C 1.862 177.987 176.300 -0.292 0.000 0.970 404 D CA 1.259 55.118 54.000 -0.235 0.000 0.837 404 D CB 0.164 40.630 40.800 -0.557 0.000 0.981 404 D HN 0.198 nan 8.370 nan 0.000 0.475 405 M N -0.534 118.848 119.600 -0.363 0.000 2.476 405 M HA 0.135 4.615 4.480 -0.001 0.000 0.262 405 M C 1.259 177.534 176.300 -0.042 0.000 1.111 405 M CA 0.688 55.867 55.300 -0.200 0.000 1.127 405 M CB 0.594 33.071 32.600 -0.204 0.000 1.376 405 M HN 0.038 nan 8.290 nan 0.000 0.465 406 G N 2.180 110.997 108.800 0.029 0.000 2.160 406 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.251 406 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.251 406 G C -0.089 174.963 174.900 0.254 0.000 1.008 406 G CA -0.178 45.047 45.100 0.208 0.000 0.724 406 G HN 0.362 nan 8.290 nan 0.000 0.514 407 L N 0.395 121.662 121.223 0.073 0.000 2.375 407 L HA 0.343 4.683 4.340 -0.001 0.000 0.271 407 L C 0.840 177.653 176.870 -0.095 0.000 1.107 407 L CA -0.915 53.919 54.840 -0.009 0.000 0.806 407 L CB 0.725 42.705 42.059 -0.131 0.000 1.146 407 L HN 0.151 nan 8.230 nan 0.000 0.447 408 D N 2.810 123.140 120.400 -0.117 0.000 2.554 408 D HA -0.159 4.481 4.640 -0.001 0.000 0.251 408 D C 1.051 177.082 176.300 -0.448 0.000 1.213 408 D CA 0.083 53.907 54.000 -0.293 0.000 0.900 408 D CB 0.572 41.249 40.800 -0.205 0.000 1.135 408 D HN 0.513 nan 8.370 nan 0.000 0.522 409 W N 5.114 126.121 121.300 -0.488 0.000 2.387 409 W HA -0.154 4.506 4.660 -0.000 0.000 0.272 409 W C 1.086 177.282 176.519 -0.539 0.000 1.224 409 W CA -0.049 57.034 57.345 -0.437 0.000 1.210 409 W CB -0.670 28.625 29.460 -0.275 0.000 1.125 409 W HN 0.378 nan 8.180 nan 0.000 0.572 410 R N 0.376 120.219 120.500 -1.095 0.000 2.189 410 R HA -0.029 4.310 4.340 -0.001 0.000 0.223 410 R C 2.419 178.449 176.300 -0.451 0.000 1.092 410 R CA 1.614 57.187 56.100 -0.878 0.000 0.989 410 R CB -0.394 29.434 30.300 -0.787 0.000 0.876 410 R HN 0.252 nan 8.270 nan 0.000 0.457 411 M N -0.482 118.696 119.600 -0.703 0.000 2.132 411 M HA -0.058 4.422 4.480 -0.001 0.000 0.263 411 M C 2.379 178.478 176.300 -0.335 0.000 1.065 411 M CA 1.836 56.617 55.300 -0.866 0.000 1.122 411 M CB -0.442 31.406 32.600 -1.254 0.000 1.365 411 M HN 0.316 nan 8.290 nan 0.000 0.411 412 G N 0.049 108.486 108.800 -0.605 0.000 2.402 412 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.216 412 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.216 412 G C 1.658 176.008 174.900 -0.916 0.000 1.162 412 G CA 0.921 45.585 45.100 -0.727 0.000 0.777 412 G HN 0.520 nan 8.290 nan 0.000 0.539 413 A N 0.847 122.732 122.820 -1.558 0.000 1.908 413 A HA -0.044 4.276 4.320 -0.001 0.000 0.218 413 A C 2.165 179.548 177.584 -0.335 0.000 1.181 413 A CA 1.927 53.175 52.037 -1.315 0.000 0.627 413 A CB -0.387 17.992 19.000 -1.035 0.000 0.818 413 A HN 0.450 nan 8.150 nan 0.000 0.445 414 E N -1.537 118.656 120.200 -0.012 0.000 2.152 414 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 414 E C 1.850 178.786 176.600 0.560 0.000 0.983 414 E CA 0.660 57.238 56.400 0.297 0.000 0.818 414 E CB -0.220 29.666 29.700 0.310 0.000 0.758 414 E HN 0.886 nan 8.360 nan 0.000 0.467 415 W N 0.388 121.969 121.300 0.467 0.000 2.388 415 W HA -0.193 4.467 4.660 -0.001 0.000 0.294 415 W C 1.347 178.101 176.519 0.391 0.000 1.212 415 W CA 0.701 58.279 57.345 0.390 0.000 1.271 415 W CB -0.093 29.649 29.460 0.471 0.000 1.126 415 W HN 0.048 nan 8.180 nan 0.000 0.535 416 F N 1.413 121.460 119.950 0.161 0.000 2.134 416 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 416 F C 2.514 178.240 175.800 -0.124 0.000 1.097 416 F CA 1.926 59.951 58.000 0.041 0.000 1.264 416 F CB -1.334 37.852 39.000 0.310 0.000 1.001 416 F HN 0.018 nan 8.300 nan 0.000 0.479 417 E N -0.468 119.733 120.200 0.001 0.000 2.085 417 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 417 E C 1.990 178.328 176.600 -0.437 0.000 0.994 417 E CA 1.893 57.979 56.400 -0.524 0.000 0.801 417 E CB -0.089 29.291 29.700 -0.532 0.000 0.743 417 E HN 0.288 nan 8.360 nan 0.000 0.453 418 T N -0.456 113.945 114.554 -0.255 0.000 2.746 418 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 418 T C 1.847 176.312 174.700 -0.391 0.000 1.039 418 T CA 1.327 63.249 62.100 -0.297 0.000 1.142 418 T CB -0.213 68.458 68.868 -0.328 0.000 0.866 418 T HN 0.339 nan 8.240 nan 0.000 0.444 419 C N 0.246 119.228 119.300 -0.530 0.000 2.518 419 C HA 0.408 4.868 4.460 -0.001 0.000 0.283 419 C C 1.109 175.903 174.990 -0.327 0.000 1.351 419 C CA -0.682 58.032 59.018 -0.506 0.000 1.745 419 C CB -0.703 26.599 27.740 -0.730 0.000 2.107 419 C HN 0.422 nan 8.230 nan 0.000 0.502 420 L N 2.074 123.127 121.223 -0.284 0.000 2.418 420 L HA 0.092 4.432 4.340 -0.001 0.000 0.274 420 L C 1.202 177.973 176.870 -0.165 0.000 1.135 420 L CA -0.135 54.561 54.840 -0.240 0.000 0.870 420 L CB 0.536 42.486 42.059 -0.182 0.000 1.154 420 L HN 0.370 nan 8.230 nan 0.000 0.462 421 L N 2.296 123.370 121.223 -0.248 0.000 2.081 421 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 421 L C 1.567 178.280 176.870 -0.263 0.000 1.080 421 L CA 1.419 56.060 54.840 -0.333 0.000 0.754 421 L CB -0.420 41.211 42.059 -0.714 0.000 0.893 421 L HN 0.824 nan 8.230 nan 0.000 0.433 422 D N -2.096 118.146 120.400 -0.264 0.000 2.325 422 D HA -0.119 4.520 4.640 -0.001 0.000 0.225 422 D C 0.598 176.817 176.300 -0.135 0.000 1.096 422 D CA -0.553 53.326 54.000 -0.201 0.000 0.844 422 D CB -0.618 40.073 40.800 -0.182 0.000 0.925 422 D HN 0.217 nan 8.370 nan 0.000 0.513 423 Y N 2.036 122.229 120.300 -0.178 0.000 2.881 423 Y HA 0.139 4.688 4.550 -0.000 0.000 0.335 423 Y C -0.371 175.458 175.900 -0.118 0.000 1.263 423 Y CA 0.194 58.226 58.100 -0.114 0.000 1.572 423 Y CB 0.330 38.738 38.460 -0.088 0.000 1.237 423 Y HN 0.016 nan 8.280 nan 0.000 0.568 424 D N 8.776 128.597 120.400 -0.966 0.000 2.855 424 D HA 0.201 4.841 4.640 -0.001 0.000 0.241 424 D C -2.335 173.520 176.300 -0.742 0.000 1.277 424 D CA -1.864 51.667 54.000 -0.782 0.000 0.918 424 D CB 2.503 43.095 40.800 -0.347 0.000 1.462 424 D HN 0.301 nan 8.370 nan 0.000 0.559 425 P HA -0.106 nan 4.420 nan 0.000 0.216 425 P C 1.564 178.987 177.300 0.205 0.000 1.150 425 P CA 0.828 63.982 63.100 0.089 0.000 0.837 425 P CB 0.197 32.029 31.700 0.220 0.000 0.786 426 C N -0.248 119.068 119.300 0.028 0.000 2.436 426 C HA -0.053 4.407 4.460 -0.001 0.000 0.277 426 C C 3.076 178.036 174.990 -0.050 0.000 1.241 426 C CA 1.448 60.480 59.018 0.024 0.000 1.721 426 C CB -1.800 25.947 27.740 0.012 0.000 2.043 426 C HN 0.272 nan 8.230 nan 0.000 0.472 427 S N 0.946 116.591 115.700 -0.092 0.000 2.383 427 S HA -0.149 4.321 4.470 -0.001 0.000 0.227 427 S C 1.698 176.148 174.600 -0.250 0.000 1.026 427 S CA 1.616 59.694 58.200 -0.203 0.000 0.981 427 S CB -0.531 62.617 63.200 -0.087 0.000 0.818 427 S HN 0.691 nan 8.310 nan 0.000 0.472 428 N N 0.495 119.158 118.700 -0.062 0.000 2.062 428 N HA -0.068 4.672 4.740 -0.001 0.000 0.191 428 N C 1.464 177.024 175.510 0.083 0.000 1.042 428 N CA 1.559 54.661 53.050 0.086 0.000 0.845 428 N CB -0.381 38.250 38.487 0.240 0.000 1.024 428 N HN 0.405 nan 8.380 nan 0.000 0.424 429 Y N 0.126 120.553 120.300 0.211 0.000 2.314 429 Y HA 0.114 4.664 4.550 -0.001 0.000 0.293 429 Y C 2.412 178.285 175.900 -0.045 0.000 1.129 429 Y CA 1.083 59.316 58.100 0.222 0.000 1.201 429 Y CB -0.745 37.883 38.460 0.279 0.000 0.999 429 Y HN 0.163 nan 8.280 nan 0.000 0.541 430 G N 0.349 109.058 108.800 -0.150 0.000 2.480 430 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.216 430 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.216 430 G C 1.659 176.179 174.900 -0.634 0.000 1.200 430 G CA 1.257 46.044 45.100 -0.522 0.000 0.782 430 G HN 0.324 nan 8.290 nan 0.000 0.554 431 N N -0.221 118.011 118.700 -0.780 0.000 2.244 431 N HA -0.088 4.651 4.740 -0.001 0.000 0.183 431 N C 1.991 177.324 175.510 -0.295 0.000 1.016 431 N CA 0.897 53.648 53.050 -0.498 0.000 0.866 431 N CB -0.191 38.004 38.487 -0.488 0.000 0.980 431 N HN 0.536 nan 8.380 nan 0.000 0.430 432 W N 1.517 122.641 121.300 -0.293 0.000 2.379 432 W HA -0.139 4.520 4.660 -0.000 0.000 0.307 432 W C 2.757 178.943 176.519 -0.556 0.000 1.200 432 W CA 1.838 58.987 57.345 -0.328 0.000 1.297 432 W CB -0.715 28.631 29.460 -0.190 0.000 1.140 432 W HN 0.126 nan 8.180 nan 0.000 0.507 433 T N -3.012 111.307 114.554 -0.391 0.000 2.788 433 T HA -0.335 4.015 4.350 -0.001 0.000 0.268 433 T C 1.605 176.171 174.700 -0.223 0.000 1.044 433 T CA 1.449 63.228 62.100 -0.535 0.000 1.139 433 T CB -1.180 67.486 68.868 -0.336 0.000 0.867 433 T HN 0.255 nan 8.240 nan 0.000 0.454 434 Y N 2.448 122.650 120.300 -0.163 0.000 2.114 434 Y HA 0.053 4.603 4.550 -0.001 0.000 0.284 434 Y C 2.747 178.588 175.900 -0.100 0.000 1.143 434 Y CA 1.523 59.598 58.100 -0.042 0.000 1.135 434 Y CB -0.839 37.667 38.460 0.077 0.000 0.980 434 Y HN 0.278 nan 8.280 nan 0.000 0.499 435 G N -0.751 108.057 108.800 0.012 0.000 2.422 435 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 435 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 435 G C 1.634 176.452 174.900 -0.136 0.000 1.140 435 G CA 0.666 45.713 45.100 -0.088 0.000 0.775 435 G HN 0.564 nan 8.290 nan 0.000 0.545 436 A N -0.262 122.429 122.820 -0.215 0.000 2.167 436 A HA 0.446 4.766 4.320 -0.001 0.000 0.214 436 A C 2.026 179.504 177.584 -0.176 0.000 1.151 436 A CA 1.351 53.243 52.037 -0.242 0.000 0.735 436 A CB -0.442 18.241 19.000 -0.528 0.000 0.802 436 A HN 1.585 nan 8.150 nan 0.000 0.467 437 G N -1.148 107.551 108.800 -0.169 0.000 2.160 437 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.244 437 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.244 437 G C 0.644 175.493 174.900 -0.085 0.000 1.022 437 G CA 0.800 45.834 45.100 -0.110 0.000 0.741 437 G HN 1.672 nan 8.290 nan 0.000 0.508 438 V N -2.389 117.432 119.914 -0.155 0.000 3.176 438 V HA 0.719 4.839 4.120 -0.001 0.000 0.332 438 V C 1.238 177.286 176.094 -0.076 0.000 1.414 438 V CA 0.566 62.807 62.300 -0.098 0.000 1.133 438 V CB 0.074 31.821 31.823 -0.127 0.000 1.088 438 V HN 1.050 nan 8.190 nan 0.000 0.473 439 G N 0.429 109.190 108.800 -0.065 0.000 2.621 439 G HA2 0.199 4.158 3.960 -0.001 0.000 0.271 439 G HA3 0.199 4.158 3.960 -0.001 0.000 0.271 439 G C 0.443 175.362 174.900 0.031 0.000 1.236 439 G CA -0.259 44.851 45.100 0.018 0.000 0.958 439 G HN 0.221 nan 8.290 nan 0.000 0.512 440 N N 0.231 118.969 118.700 0.064 0.000 2.412 440 N HA -0.010 4.730 4.740 -0.001 0.000 0.184 440 N C 0.292 175.841 175.510 0.065 0.000 1.101 440 N CA 0.137 53.218 53.050 0.052 0.000 0.881 440 N CB 0.039 38.550 38.487 0.040 0.000 0.969 440 N HN 0.662 nan 8.380 nan 0.000 0.459 441 D N 1.256 121.715 120.400 0.097 0.000 2.455 441 D HA 0.070 4.710 4.640 -0.001 0.000 0.241 441 D C -2.208 174.111 176.300 0.032 0.000 1.138 441 D CA -1.108 52.949 54.000 0.095 0.000 0.877 441 D CB 0.098 40.989 40.800 0.150 0.000 1.187 441 D HN -0.018 nan 8.370 nan 0.000 0.451 442 P HA 0.055 nan 4.420 nan 0.000 0.266 442 P C 0.057 177.356 177.300 -0.002 0.000 1.180 442 P CA 0.268 63.380 63.100 0.019 0.000 0.765 442 P CB 0.215 31.933 31.700 0.029 0.000 0.806 443 R N 1.472 121.971 120.500 -0.001 0.000 2.458 443 R HA 0.233 4.572 4.340 -0.001 0.000 0.303 443 R C 0.276 176.568 176.300 -0.013 0.000 1.013 443 R CA 0.173 56.268 56.100 -0.008 0.000 1.026 443 R CB -1.000 29.302 30.300 0.004 0.000 0.948 443 R HN 0.652 nan 8.270 nan 0.000 0.417 444 E N 1.165 121.347 120.200 -0.031 0.000 2.308 444 E HA 0.223 4.573 4.350 -0.001 0.000 0.275 444 E C -1.660 174.929 176.600 -0.017 0.000 0.890 444 E CA -0.679 55.706 56.400 -0.025 0.000 0.754 444 E CB 1.794 31.472 29.700 -0.036 0.000 1.207 444 E HN 0.601 nan 8.360 nan 0.000 0.426 445 D N 3.711 124.114 120.400 0.005 0.000 2.483 445 D HA 0.103 4.742 4.640 -0.001 0.000 0.220 445 D C -0.512 175.824 176.300 0.060 0.000 1.173 445 D CA -0.148 53.876 54.000 0.040 0.000 0.964 445 D CB 0.182 41.005 40.800 0.039 0.000 1.046 445 D HN 0.357 nan 8.370 nan 0.000 0.517 446 R N 3.438 123.975 120.500 0.061 0.000 4.556 446 R HA 0.027 4.367 4.340 -0.001 0.000 0.197 446 R C -0.252 176.155 176.300 0.179 0.000 1.791 446 R CA -0.440 55.699 56.100 0.065 0.000 1.526 446 R CB -0.304 30.037 30.300 0.069 0.000 1.410 446 R HN 0.403 nan 8.270 nan 0.000 0.826 447 Y N 0.900 121.235 120.300 0.058 0.000 2.359 447 Y HA 0.158 4.707 4.550 -0.001 0.000 0.334 447 Y C -0.521 175.438 175.900 0.099 0.000 1.058 447 Y CA -0.506 57.684 58.100 0.150 0.000 1.244 447 Y CB 0.374 38.923 38.460 0.148 0.000 1.187 447 Y HN 0.114 nan 8.280 nan 0.000 0.510 448 F N 4.331 123.984 119.950 -0.495 0.000 2.410 448 F HA 0.212 4.739 4.527 -0.000 0.000 0.349 448 F C 0.607 176.142 175.800 -0.441 0.000 1.117 448 F CA -0.594 57.212 58.000 -0.323 0.000 1.104 448 F CB 1.231 40.094 39.000 -0.228 0.000 1.122 448 F HN 0.436 nan 8.300 nan 0.000 0.483 449 S N 4.100 119.837 115.700 0.062 0.000 2.455 449 S HA 0.166 4.635 4.470 -0.001 0.000 0.278 449 S C 1.246 175.908 174.600 0.104 0.000 1.216 449 S CA -0.632 57.667 58.200 0.165 0.000 1.055 449 S CB 0.088 63.404 63.200 0.192 0.000 0.939 449 S HN 0.533 nan 8.310 nan 0.000 0.494 450 I N 7.649 128.263 120.570 0.073 0.000 2.163 450 I HA 0.004 4.174 4.170 -0.001 0.000 0.243 450 I C -0.831 175.309 176.117 0.037 0.000 1.085 450 I CA 1.005 62.325 61.300 0.033 0.000 1.347 450 I CB -1.338 36.633 38.000 -0.047 0.000 1.044 450 I HN 0.548 nan 8.210 nan 0.000 0.408 451 P HA -0.212 nan 4.420 nan 0.000 0.215 451 P C 1.738 179.018 177.300 -0.034 0.000 1.153 451 P CA 1.560 64.665 63.100 0.009 0.000 0.853 451 P CB -0.055 31.672 31.700 0.047 0.000 0.788 452 K N -0.389 120.018 120.400 0.011 0.000 2.057 452 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 452 K C 2.179 178.778 176.600 -0.001 0.000 1.049 452 K CA 1.233 57.516 56.287 -0.007 0.000 0.931 452 K CB -0.230 32.284 32.500 0.023 0.000 0.714 452 K HN -0.017 nan 8.250 nan 0.000 0.440 453 Q N 0.098 119.945 119.800 0.078 0.000 2.084 453 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 453 Q C 2.134 178.200 176.000 0.111 0.000 0.978 453 Q CA 1.576 57.492 55.803 0.188 0.000 0.844 453 Q CB -0.404 28.459 28.738 0.209 0.000 0.898 453 Q HN 0.420 nan 8.270 nan 0.000 0.426 454 A N 0.819 123.640 122.820 0.001 0.000 1.908 454 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 454 A C 2.144 179.603 177.584 -0.208 0.000 1.181 454 A CA 1.938 53.930 52.037 -0.076 0.000 0.627 454 A CB -0.472 18.425 19.000 -0.172 0.000 0.818 454 A HN 0.312 nan 8.150 nan 0.000 0.445 455 Q N 0.168 119.797 119.800 -0.285 0.000 2.083 455 Q HA -0.105 4.234 4.340 -0.001 0.000 0.198 455 Q C 1.572 177.470 176.000 -0.170 0.000 0.969 455 Q CA 2.117 57.779 55.803 -0.235 0.000 0.838 455 Q CB -0.311 28.314 28.738 -0.189 0.000 0.900 455 Q HN 0.636 nan 8.270 nan 0.000 0.436 456 N N -1.254 117.294 118.700 -0.253 0.000 2.300 456 N HA -0.050 4.690 4.740 -0.001 0.000 0.179 456 N C 0.383 175.484 175.510 -0.682 0.000 1.016 456 N CA 1.015 53.758 53.050 -0.511 0.000 0.876 456 N CB 0.043 38.099 38.487 -0.719 0.000 0.979 456 N HN 0.347 nan 8.380 nan 0.000 0.432 457 Y N -1.121 119.154 120.300 -0.041 0.000 2.500 457 Y HA 0.311 4.861 4.550 -0.001 0.000 0.246 457 Y C 0.059 175.934 175.900 -0.042 0.000 1.146 457 Y CA -0.469 57.594 58.100 -0.062 0.000 1.230 457 Y CB 0.726 39.130 38.460 -0.094 0.000 1.214 457 Y HN -0.144 nan 8.280 nan 0.000 0.526 458 D N -0.063 120.406 120.400 0.115 0.000 2.945 458 D HA 0.199 4.838 4.640 -0.001 0.000 0.340 458 D C -2.130 174.303 176.300 0.222 0.000 1.240 458 D CA -1.987 52.116 54.000 0.172 0.000 0.749 458 D CB 0.693 41.642 40.800 0.249 0.000 1.217 458 D HN -0.080 nan 8.370 nan 0.000 0.514 459 P HA -0.121 nan 4.420 nan 0.000 0.218 459 P C 0.708 178.109 177.300 0.167 0.000 1.148 459 P CA 1.061 64.244 63.100 0.137 0.000 0.822 459 P CB 0.510 32.232 31.700 0.037 0.000 0.784 460 E N -1.445 118.811 120.200 0.093 0.000 2.474 460 E HA 0.183 4.532 4.350 -0.001 0.000 0.195 460 E C 1.450 178.031 176.600 -0.032 0.000 1.039 460 E CA 0.425 56.841 56.400 0.028 0.000 0.881 460 E CB -0.542 29.174 29.700 0.026 0.000 0.970 460 E HN 0.270 nan 8.360 nan 0.000 0.486 461 G N 2.140 110.935 108.800 -0.009 0.000 2.168 461 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.257 461 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.257 461 G C 0.965 175.890 174.900 0.042 0.000 0.997 461 G CA 0.890 45.959 45.100 -0.052 0.000 0.708 461 G HN 0.296 nan 8.290 nan 0.000 0.520 462 E N -0.891 119.362 120.200 0.088 0.000 2.077 462 E HA -0.083 4.267 4.350 -0.001 0.000 0.193 462 E C 1.872 178.576 176.600 0.174 0.000 0.989 462 E CA 1.856 58.320 56.400 0.107 0.000 0.800 462 E CB -0.292 29.467 29.700 0.099 0.000 0.746 462 E HN 0.738 nan 8.360 nan 0.000 0.452 463 Y N 0.255 120.622 120.300 0.112 0.000 2.133 463 Y HA -0.194 4.355 4.550 -0.000 0.000 0.287 463 Y C 2.116 178.183 175.900 0.278 0.000 1.134 463 Y CA 1.846 60.057 58.100 0.186 0.000 1.133 463 Y CB -0.544 38.008 38.460 0.153 0.000 0.987 463 Y HN 0.034 nan 8.280 nan 0.000 0.502 464 V N -0.721 119.269 119.914 0.128 0.000 2.407 464 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 464 V C 2.377 178.467 176.094 -0.006 0.000 1.055 464 V CA 1.768 64.080 62.300 0.019 0.000 1.049 464 V CB -1.963 29.892 31.823 0.053 0.000 0.662 464 V HN 0.426 nan 8.190 nan 0.000 0.455 465 A N -0.069 122.756 122.820 0.008 0.000 1.972 465 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 465 A C 2.081 179.648 177.584 -0.028 0.000 1.169 465 A CA 1.830 53.857 52.037 -0.016 0.000 0.635 465 A CB -0.832 18.163 19.000 -0.009 0.000 0.810 465 A HN 0.673 nan 8.150 nan 0.000 0.446 466 F N -1.137 118.710 119.950 -0.171 0.000 2.102 466 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 466 F C 1.949 177.495 175.800 -0.424 0.000 1.105 466 F CA 1.871 59.684 58.000 -0.312 0.000 1.239 466 F CB -0.290 38.484 39.000 -0.377 0.000 0.991 466 F HN 0.375 nan 8.300 nan 0.000 0.474 467 W N 0.366 121.612 121.300 -0.090 0.000 2.523 467 W HA 0.155 4.815 4.660 -0.001 0.000 0.278 467 W C 0.204 176.631 176.519 -0.153 0.000 1.236 467 W CA 0.296 57.545 57.345 -0.160 0.000 1.306 467 W CB -0.049 29.308 29.460 -0.173 0.000 1.101 467 W HN -0.224 nan 8.180 nan 0.000 0.577 468 L N 1.499 122.760 121.223 0.063 0.000 2.426 468 L HA 0.253 4.593 4.340 -0.001 0.000 0.255 468 L C 1.016 177.869 176.870 -0.028 0.000 1.080 468 L CA -0.298 54.567 54.840 0.040 0.000 0.960 468 L CB 0.496 42.578 42.059 0.037 0.000 1.326 468 L HN 0.009 nan 8.230 nan 0.000 0.441 469 Q N 1.070 120.830 119.800 -0.066 0.000 2.291 469 Q HA -0.183 4.157 4.340 -0.001 0.000 0.206 469 Q C 1.926 177.893 176.000 -0.055 0.000 0.976 469 Q CA 1.089 56.832 55.803 -0.100 0.000 0.875 469 Q CB 0.125 28.776 28.738 -0.145 0.000 0.927 469 Q HN 0.697 nan 8.270 nan 0.000 0.450 470 Q N 0.699 120.489 119.800 -0.017 0.000 2.364 470 Q HA -0.141 4.198 4.340 -0.001 0.000 0.209 470 Q C 1.558 177.554 176.000 -0.008 0.000 0.977 470 Q CA 1.156 56.960 55.803 0.002 0.000 0.885 470 Q CB -0.226 28.538 28.738 0.043 0.000 0.941 470 Q HN 0.461 nan 8.270 nan 0.000 0.464 471 L N -0.038 121.167 121.223 -0.030 0.000 2.492 471 L HA 0.105 4.445 4.340 -0.001 0.000 0.223 471 L C 2.407 179.246 176.870 -0.052 0.000 1.132 471 L CA 0.073 54.880 54.840 -0.055 0.000 0.850 471 L CB -0.217 41.782 42.059 -0.100 0.000 0.966 471 L HN 0.080 nan 8.230 nan 0.000 0.454 472 R N 1.407 121.879 120.500 -0.047 0.000 2.103 472 R HA -0.199 4.141 4.340 -0.001 0.000 0.242 472 R C 2.422 178.701 176.300 -0.035 0.000 1.142 472 R CA 1.748 57.822 56.100 -0.043 0.000 0.960 472 R CB -0.309 29.961 30.300 -0.049 0.000 0.858 472 R HN 0.424 nan 8.270 nan 0.000 0.439 473 R N 0.026 120.507 120.500 -0.031 0.000 2.280 473 R HA 0.006 4.346 4.340 -0.001 0.000 0.207 473 R C 0.021 176.306 176.300 -0.025 0.000 1.043 473 R CA 0.534 56.619 56.100 -0.025 0.000 1.006 473 R CB -0.379 29.909 30.300 -0.020 0.000 0.885 473 R HN 0.114 nan 8.270 nan 0.000 0.467 474 L N 2.672 123.876 121.223 -0.033 0.000 2.418 474 L HA 0.369 4.709 4.340 -0.001 0.000 0.265 474 L C -1.830 175.014 176.870 -0.044 0.000 1.143 474 L CA -2.617 52.202 54.840 -0.036 0.000 0.809 474 L CB 0.548 42.580 42.059 -0.044 0.000 1.124 474 L HN 0.028 nan 8.230 nan 0.000 0.456 475 P HA 0.130 nan 4.420 nan 0.000 0.275 475 P C -0.066 177.188 177.300 -0.076 0.000 1.266 475 P CA -0.537 62.538 63.100 -0.043 0.000 0.793 475 P CB 0.768 32.454 31.700 -0.024 0.000 1.074 476 K N 0.233 120.585 120.400 -0.080 0.000 2.077 476 K HA -0.224 4.095 4.320 -0.001 0.000 0.213 476 K C 1.795 178.275 176.600 -0.201 0.000 1.051 476 K CA 2.039 58.237 56.287 -0.148 0.000 0.929 476 K CB -0.263 32.209 32.500 -0.046 0.000 0.715 476 K HN 0.567 nan 8.250 nan 0.000 0.451 477 E N 1.056 121.226 120.200 -0.049 0.000 2.076 477 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 477 E C 1.750 178.361 176.600 0.019 0.000 0.979 477 E CA 0.906 57.329 56.400 0.038 0.000 0.807 477 E CB -0.155 29.578 29.700 0.055 0.000 0.761 477 E HN 0.193 nan 8.360 nan 0.000 0.454 478 K N 1.048 121.435 120.400 -0.021 0.000 2.217 478 K HA 0.048 4.368 4.320 -0.001 0.000 0.202 478 K C 2.239 178.803 176.600 -0.059 0.000 1.051 478 K CA 0.379 56.655 56.287 -0.018 0.000 0.952 478 K CB -0.145 32.345 32.500 -0.016 0.000 0.736 478 K HN 0.110 nan 8.250 nan 0.000 0.453 479 R N 0.031 120.451 120.500 -0.134 0.000 2.091 479 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 479 R C 2.194 178.406 176.300 -0.148 0.000 1.136 479 R CA 1.223 57.212 56.100 -0.186 0.000 0.959 479 R CB -0.276 29.869 30.300 -0.259 0.000 0.856 479 R HN 0.316 nan 8.270 nan 0.000 0.437 480 H N -2.018 117.050 119.070 -0.002 0.000 2.363 480 H HA -0.115 4.440 4.556 -0.001 0.000 0.301 480 H C 0.773 176.115 175.328 0.023 0.000 1.074 480 H CA 1.393 57.452 56.048 0.019 0.000 1.354 480 H CB -0.184 29.601 29.762 0.038 0.000 1.397 480 H HN 0.450 nan 8.280 nan 0.000 0.516 481 W N 2.509 123.890 121.300 0.136 0.000 2.291 481 W HA 0.393 5.053 4.660 -0.001 0.000 0.288 481 W C -2.112 174.437 176.519 0.050 0.000 0.976 481 W CA -1.768 55.637 57.345 0.100 0.000 1.744 481 W CB 0.200 29.731 29.460 0.118 0.000 1.815 481 W HN -0.008 nan 8.180 nan 0.000 0.396 482 P HA 0.205 nan 4.420 nan 0.000 0.222 482 P C 1.099 178.426 177.300 0.046 0.000 1.153 482 P CA 2.220 65.328 63.100 0.013 0.000 0.798 482 P CB 0.686 32.374 31.700 -0.020 0.000 0.796 483 G N 0.089 108.926 108.800 0.062 0.000 2.690 483 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.686 483 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.686 483 G C 0.303 175.245 174.900 0.071 0.000 1.277 483 G CA -0.259 44.875 45.100 0.057 0.000 0.799 483 G HN 0.074 nan 8.290 nan 0.000 0.613 484 R N 0.167 120.694 120.500 0.045 0.000 2.062 484 R HA 0.063 4.403 4.340 -0.001 0.000 0.229 484 R C 2.887 179.200 176.300 0.022 0.000 1.128 484 R CA 2.101 58.218 56.100 0.028 0.000 0.960 484 R CB -0.513 29.789 30.300 0.005 0.000 0.855 484 R HN 0.847 nan 8.270 nan 0.000 0.432 485 L N -1.513 119.723 121.223 0.021 0.000 2.083 485 L HA -0.069 4.271 4.340 -0.001 0.000 0.209 485 L C 2.024 178.910 176.870 0.026 0.000 1.083 485 L CA 1.631 56.479 54.840 0.013 0.000 0.752 485 L CB -0.460 41.605 42.059 0.011 0.000 0.899 485 L HN 0.113 nan 8.230 nan 0.000 0.433 486 M N -1.709 117.921 119.600 0.051 0.000 2.175 486 M HA -0.090 4.390 4.480 -0.001 0.000 0.264 486 M C 1.850 178.232 176.300 0.137 0.000 1.063 486 M CA 1.812 57.155 55.300 0.072 0.000 1.119 486 M CB -0.244 32.396 32.600 0.066 0.000 1.377 486 M HN 0.408 nan 8.290 nan 0.000 0.415 487 Y N 0.025 120.312 120.300 -0.022 0.000 2.901 487 Y HA 0.409 4.959 4.550 -0.000 0.000 0.160 487 Y C 0.271 176.151 175.900 -0.034 0.000 0.910 487 Y CA -0.340 57.744 58.100 -0.028 0.000 1.697 487 Y CB 0.494 38.936 38.460 -0.029 0.000 1.198 487 Y HN 0.059 nan 8.280 nan 0.000 0.416 488 M N -0.963 118.493 119.600 -0.239 0.000 3.147 488 M HA 0.361 4.840 4.480 -0.001 0.000 0.276 488 M C -1.977 174.238 176.300 -0.141 0.000 1.211 488 M CA -0.986 54.152 55.300 -0.270 0.000 0.820 488 M CB 1.716 34.034 32.600 -0.470 0.000 1.621 488 M HN 0.053 nan 8.290 nan 0.000 0.507 489 D N 2.907 123.235 120.400 -0.120 0.000 2.372 489 D HA 0.310 4.950 4.640 -0.001 0.000 0.243 489 D C -0.126 176.113 176.300 -0.103 0.000 1.121 489 D CA 0.539 54.492 54.000 -0.079 0.000 0.898 489 D CB 1.431 42.201 40.800 -0.050 0.000 1.202 489 D HN 0.681 nan 8.370 nan 0.000 0.428 490 T N -2.058 112.433 114.554 -0.106 0.000 2.832 490 T HA 0.265 4.614 4.350 -0.001 0.000 0.296 490 T C 1.417 176.134 174.700 0.028 0.000 0.968 490 T CA -0.897 61.119 62.100 -0.140 0.000 1.107 490 T CB 1.080 69.813 68.868 -0.224 0.000 0.916 490 T HN 0.195 nan 8.240 nan 0.000 0.517 491 V N 1.470 121.454 119.914 0.117 0.000 2.788 491 V HA 0.244 4.363 4.120 -0.001 0.000 0.251 491 V C 0.787 176.980 176.094 0.166 0.000 1.068 491 V CA 0.843 63.226 62.300 0.138 0.000 1.090 491 V CB -1.156 30.763 31.823 0.161 0.000 0.710 491 V HN 0.953 nan 8.190 nan 0.000 0.467 492 V N -4.092 115.979 119.914 0.261 0.000 3.049 492 V HA 0.743 4.862 4.120 -0.001 0.000 0.309 492 V C -2.986 173.286 176.094 0.296 0.000 1.148 492 V CA -2.156 60.267 62.300 0.205 0.000 0.990 492 V CB 1.636 33.528 31.823 0.114 0.000 1.039 492 V HN 0.134 nan 8.190 nan 0.000 0.430 493 P HA 0.389 nan 4.420 nan 0.000 0.274 493 P C -0.579 176.823 177.300 0.170 0.000 1.237 493 P CA -0.387 62.840 63.100 0.212 0.000 0.793 493 P CB 0.876 32.643 31.700 0.112 0.000 0.977 494 L N 2.405 123.731 121.223 0.172 0.000 2.367 494 L HA 0.136 4.475 4.340 -0.001 0.000 0.275 494 L C 1.944 178.827 176.870 0.022 0.000 1.129 494 L CA -0.435 54.463 54.840 0.097 0.000 0.839 494 L CB 0.339 42.462 42.059 0.107 0.000 1.133 494 L HN 0.353 nan 8.230 nan 0.000 0.453 495 K N 1.844 122.219 120.400 -0.041 0.000 2.057 495 K HA -0.036 4.284 4.320 -0.001 0.000 0.207 495 K C 0.452 176.627 176.600 -0.708 0.000 1.049 495 K CA 1.315 57.359 56.287 -0.405 0.000 0.931 495 K CB 0.029 32.200 32.500 -0.549 0.000 0.714 495 K HN 0.555 nan 8.250 nan 0.000 0.440 496 H N -2.277 116.743 119.070 -0.082 0.000 2.941 496 H HA 0.266 4.822 4.556 -0.000 0.000 0.344 496 H C 0.345 175.742 175.328 0.115 0.000 1.235 496 H CA -0.127 55.883 56.048 -0.065 0.000 1.149 496 H CB 1.576 31.180 29.762 -0.263 0.000 1.885 496 H HN 0.268 nan 8.280 nan 0.000 0.558 497 G N 1.562 110.498 108.800 0.226 0.000 2.256 497 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.272 497 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.272 497 G C -0.343 174.635 174.900 0.130 0.000 1.076 497 G CA 0.362 45.562 45.100 0.166 0.000 0.882 497 G HN 0.960 nan 8.290 nan 0.000 0.497 498 N N -2.020 116.746 118.700 0.110 0.000 4.287 498 N HA -0.040 4.700 4.740 -0.001 0.000 0.330 498 N C 0.957 176.534 175.510 0.112 0.000 2.095 498 N CA 0.552 53.660 53.050 0.097 0.000 2.979 498 N CB -0.502 38.041 38.487 0.094 0.000 0.324 498 N HN 1.343 nan 8.380 nan 0.000 0.781 499 G N 0.000 108.860 108.800 0.101 0.000 5.446 499 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 499 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 499 G CA 0.000 45.169 45.100 0.115 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925